Solution structure of the PHD1 domain of histone demethylase KDM5A in complex with a histone H3(1-10) peptide
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | disulfide | sing | 1:CYS11:SG | 3:ZN1:ZN |
2 | disulfide | sing | 1:CYS14:SG | 3:ZN1:ZN |
3 | disulfide | sing | 1:CYS26:SG | 3:ZN1:ZN |
4 | disulfide | sing | 1:CYS29:SG | 3:ZN1:ZN |
5 | disulfide | sing | 1:HIS34:ND1 | 3:ZN1:ZN |
6 | disulfide | sing | 1:CYS37:SG | 3:ZN1:ZN |
7 | disulfide | sing | 1:CYS52:SG | 3:ZN1:ZN |
8 | disulfide | sing | 1:CYS55:SG | 3:ZN1:ZN |
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 2 | SER | HA | H | 4.548 | 0.012 | 1 |
2 | 1 | 2 | SER | HB2 | H | 3.870 | 0.007 | 2 |
3 | 1 | 2 | SER | HB3 | H | 3.870 | 0.007 | 2 |
4 | 1 | 2 | SER | CA | C | 58.400 | 0.055 | 1 |
5 | 1 | 2 | SER | CB | C | 64.024 | 0.066 | 1 |
6 | 1 | 3 | VAL | H | H | 8.256 | 0.001 | 1 |
7 | 1 | 3 | VAL | HA | H | 4.118 | 0.001 | 1 |
8 | 1 | 3 | VAL | HB | H | 2.002 | 0.011 | 1 |
9 | 1 | 3 | VAL | HG11 | H | 0.869 | 0.005 | 2 |
10 | 1 | 3 | VAL | HG12 | H | 0.869 | 0.005 | 2 |
11 | 1 | 3 | VAL | HG13 | H | 0.869 | 0.005 | 2 |
12 | 1 | 3 | VAL | HG21 | H | 0.818 | 0.007 | 2 |
13 | 1 | 3 | VAL | HG22 | H | 0.818 | 0.007 | 2 |
14 | 1 | 3 | VAL | HG23 | H | 0.818 | 0.007 | 2 |
15 | 1 | 3 | VAL | CA | C | 62.325 | 0.046 | 1 |
16 | 1 | 3 | VAL | CB | C | 32.851 | 0.028 | 1 |
17 | 1 | 3 | VAL | CG1 | C | 20.366 | 0.026 | 2 |
18 | 1 | 3 | VAL | CG2 | C | 21.076 | 0.061 | 2 |
19 | 1 | 3 | VAL | N | N | 121.487 | 0.004 | 1 |
20 | 1 | 4 | ASN | H | H | 8.540 | 0.004 | 1 |
21 | 1 | 4 | ASN | HA | H | 4.687 | 0.004 | 1 |
22 | 1 | 4 | ASN | HB2 | H | 2.683 | 0.008 | 2 |
23 | 1 | 4 | ASN | HB3 | H | 2.761 | 0.003 | 2 |
24 | 1 | 4 | ASN | CA | C | 53.006 | 0.013 | 1 |
25 | 1 | 4 | ASN | CB | C | 39.119 | 0.080 | 1 |
26 | 1 | 4 | ASN | N | N | 122.866 | 0.054 | 1 |
27 | 1 | 5 | PHE | H | H | 8.168 | 0.002 | 1 |
28 | 1 | 5 | PHE | HA | H | 4.459 | 0.002 | 1 |
29 | 1 | 5 | PHE | HB2 | H | 3.039 | 0.010 | 2 |
30 | 1 | 5 | PHE | HB3 | H | 3.123 | 0.004 | 2 |
31 | 1 | 5 | PHE | HD1 | H | 7.220 | 0.008 | 1 |
32 | 1 | 5 | PHE | HD2 | H | 7.220 | 0.008 | 1 |
33 | 1 | 5 | PHE | HE1 | H | 7.377 | 0.009 | 1 |
34 | 1 | 5 | PHE | HE2 | H | 7.377 | 0.009 | 1 |
35 | 1 | 5 | PHE | HZ | H | 7.323 | 0.005 | 1 |
36 | 1 | 5 | PHE | CA | C | 58.845 | 0.071 | 1 |
37 | 1 | 5 | PHE | CB | C | 39.023 | 0.058 | 1 |
38 | 1 | 5 | PHE | CD1 | C | 131.855 | 0.012 | 1 |
39 | 1 | 5 | PHE | CD2 | C | 131.855 | 0.012 | 1 |
40 | 1 | 5 | PHE | CE1 | C | 132.000 | 0.060 | 1 |
41 | 1 | 5 | PHE | CE2 | C | 132.000 | 0.060 | 1 |
42 | 1 | 5 | PHE | CZ | C | 130.225 | 0.027 | 1 |
43 | 1 | 5 | PHE | N | N | 121.439 | 0.014 | 1 |
44 | 1 | 6 | VAL | H | H | 7.911 | 0.011 | 1 |
45 | 1 | 6 | VAL | HA | H | 3.626 | 0.007 | 1 |
46 | 1 | 6 | VAL | HB | H | 1.960 | 0.006 | 1 |
47 | 1 | 6 | VAL | HG11 | H | 0.870 | 0.005 | 2 |
48 | 1 | 6 | VAL | HG12 | H | 0.870 | 0.005 | 2 |
49 | 1 | 6 | VAL | HG13 | H | 0.870 | 0.005 | 2 |
50 | 1 | 6 | VAL | HG21 | H | 0.870 | 0.006 | 2 |
51 | 1 | 6 | VAL | HG22 | H | 0.870 | 0.006 | 2 |
52 | 1 | 6 | VAL | HG23 | H | 0.870 | 0.006 | 2 |
53 | 1 | 6 | VAL | CA | C | 63.828 | 0.063 | 1 |
54 | 1 | 6 | VAL | CB | C | 32.073 | 0.036 | 1 |
55 | 1 | 6 | VAL | CG1 | C | 21.982 | 0.065 | 2 |
56 | 1 | 6 | VAL | CG2 | C | 21.982 | 0.065 | 2 |
57 | 1 | 6 | VAL | N | N | 121.206 | 0.042 | 1 |
58 | 1 | 7 | ASP | H | H | 7.789 | 0.011 | 1 |
59 | 1 | 7 | ASP | HA | H | 4.324 | 0.007 | 1 |
60 | 1 | 7 | ASP | HB2 | H | 2.551 | 0.006 | 2 |
61 | 1 | 7 | ASP | HB3 | H | 2.659 | 0.008 | 2 |
62 | 1 | 7 | ASP | CA | C | 55.901 | 0.066 | 1 |
63 | 1 | 7 | ASP | CB | C | 41.010 | 0.076 | 1 |
64 | 1 | 7 | ASP | N | N | 118.775 | 0.028 | 1 |
65 | 1 | 8 | LEU | H | H | 7.536 | 0.010 | 1 |
66 | 1 | 8 | LEU | HA | H | 4.114 | 0.004 | 1 |
67 | 1 | 8 | LEU | HB2 | H | 1.528 | 0.009 | 2 |
68 | 1 | 8 | LEU | HB3 | H | 1.421 | 0.011 | 2 |
69 | 1 | 8 | LEU | HG | H | 1.487 | 0.014 | 1 |
70 | 1 | 8 | LEU | HD11 | H | 0.737 | 0.004 | 2 |
71 | 1 | 8 | LEU | HD12 | H | 0.737 | 0.004 | 2 |
72 | 1 | 8 | LEU | HD13 | H | 0.737 | 0.004 | 2 |
73 | 1 | 8 | LEU | HD21 | H | 0.843 | 0.007 | 2 |
74 | 1 | 8 | LEU | HD22 | H | 0.843 | 0.007 | 2 |
75 | 1 | 8 | LEU | HD23 | H | 0.843 | 0.007 | 2 |
76 | 1 | 8 | LEU | CA | C | 55.064 | 0.014 | 1 |
77 | 1 | 8 | LEU | CB | C | 41.753 | 0.022 | 1 |
78 | 1 | 8 | LEU | CG | C | 26.825 | 0.041 | 1 |
79 | 1 | 8 | LEU | CD1 | C | 22.609 | 0.040 | 2 |
80 | 1 | 8 | LEU | CD2 | C | 25.092 | 0.055 | 2 |
81 | 1 | 8 | LEU | N | N | 117.859 | 0.049 | 1 |
82 | 1 | 9 | TYR | H | H | 7.466 | 0.006 | 1 |
83 | 1 | 9 | TYR | HA | H | 4.550 | 0.006 | 1 |
84 | 1 | 9 | TYR | HB2 | H | 2.695 | 0.006 | 2 |
85 | 1 | 9 | TYR | HB3 | H | 2.814 | 0.003 | 2 |
86 | 1 | 9 | TYR | HD1 | H | 7.195 | 0.012 | 1 |
87 | 1 | 9 | TYR | HD2 | H | 7.195 | 0.012 | 1 |
88 | 1 | 9 | TYR | HE1 | H | 6.846 | 0.006 | 1 |
89 | 1 | 9 | TYR | HE2 | H | 6.846 | 0.006 | 1 |
90 | 1 | 9 | TYR | CA | C | 58.468 | 0.035 | 1 |
91 | 1 | 9 | TYR | CB | C | 37.539 | 0.060 | 1 |
92 | 1 | 9 | TYR | CD1 | C | 132.797 | 0.065 | 1 |
93 | 1 | 9 | TYR | CD2 | C | 132.797 | 0.065 | 1 |
94 | 1 | 9 | TYR | CE1 | C | 118.628 | 0.063 | 1 |
95 | 1 | 9 | TYR | CE2 | C | 118.628 | 0.063 | 1 |
96 | 1 | 9 | TYR | N | N | 118.472 | 0.054 | 1 |
97 | 1 | 10 | VAL | H | H | 7.804 | 0.005 | 1 |
98 | 1 | 10 | VAL | HA | H | 4.014 | 0.003 | 1 |
99 | 1 | 10 | VAL | HB | H | 1.491 | 0.014 | 1 |
100 | 1 | 10 | VAL | HG11 | H | 0.649 | 0.012 | 2 |
101 | 1 | 10 | VAL | HG12 | H | 0.649 | 0.012 | 2 |
102 | 1 | 10 | VAL | HG13 | H | 0.649 | 0.012 | 2 |
103 | 1 | 10 | VAL | HG21 | H | 0.651 | 0.010 | 2 |
104 | 1 | 10 | VAL | HG22 | H | 0.651 | 0.010 | 2 |
105 | 1 | 10 | VAL | HG23 | H | 0.651 | 0.010 | 2 |
106 | 1 | 10 | VAL | CA | C | 59.520 | 0.062 | 1 |
107 | 1 | 10 | VAL | CB | C | 35.713 | 0.045 | 1 |
108 | 1 | 10 | VAL | CG1 | C | 19.083 | 0.007 | 2 |
109 | 1 | 10 | VAL | CG2 | C | 21.354 | 0.012 | 2 |
110 | 1 | 10 | VAL | N | N | 118.181 | 0.032 | 1 |
111 | 1 | 11 | CYS | H | H | 7.544 | 0.005 | 1 |
112 | 1 | 11 | CYS | HA | H | 3.937 | 0.006 | 1 |
113 | 1 | 11 | CYS | HB2 | H | 2.141 | 0.006 | 2 |
114 | 1 | 11 | CYS | HB3 | H | 3.584 | 0.004 | 2 |
115 | 1 | 11 | CYS | CA | C | 58.684 | 0.074 | 1 |
116 | 1 | 11 | CYS | CB | C | 31.995 | 0.071 | 1 |
117 | 1 | 11 | CYS | N | N | 124.856 | 0.057 | 1 |
118 | 1 | 12 | MET | H | H | 8.602 | 0.004 | 1 |
119 | 1 | 12 | MET | HA | H | 4.210 | 0.009 | 1 |
120 | 1 | 12 | MET | HB2 | H | 2.367 | 0.005 | 2 |
121 | 1 | 12 | MET | HB3 | H | 2.634 | 0.003 | 2 |
122 | 1 | 12 | MET | HG2 | H | 1.711 | 0.007 | 2 |
123 | 1 | 12 | MET | HG3 | H | 1.192 | 0.002 | 2 |
124 | 1 | 12 | MET | HE1 | H | 2.090 | 0.009 | 1 |
125 | 1 | 12 | MET | HE2 | H | 2.090 | 0.009 | 1 |
126 | 1 | 12 | MET | HE3 | H | 2.090 | 0.009 | 1 |
127 | 1 | 12 | MET | CA | C | 56.308 | 0.054 | 1 |
128 | 1 | 12 | MET | CB | C | 32.681 | 0.061 | 1 |
129 | 1 | 12 | MET | CG | C | 31.399 | 0.056 | 1 |
130 | 1 | 12 | MET | CE | C | 16.919 | 0.059 | 1 |
131 | 1 | 12 | MET | N | N | 127.866 | 0.029 | 1 |
132 | 1 | 13 | PHE | H | H | 8.811 | 0.006 | 1 |
133 | 1 | 13 | PHE | HA | H | 5.079 | 0.004 | 1 |
134 | 1 | 13 | PHE | HB2 | H | 3.201 | 0.011 | 2 |
135 | 1 | 13 | PHE | HB3 | H | 3.430 | 0.003 | 2 |
136 | 1 | 13 | PHE | HD1 | H | 7.556 | 0.009 | 1 |
137 | 1 | 13 | PHE | HD2 | H | 7.556 | 0.009 | 1 |
138 | 1 | 13 | PHE | HE1 | H | 7.552 | 0.005 | 1 |
139 | 1 | 13 | PHE | HE2 | H | 7.552 | 0.005 | 1 |
140 | 1 | 13 | PHE | HZ | H | 7.468 | 0.002 | 1 |
141 | 1 | 13 | PHE | CA | C | 58.492 | 0.034 | 1 |
142 | 1 | 13 | PHE | CB | C | 40.651 | 0.051 | 1 |
143 | 1 | 13 | PHE | CD1 | C | 131.511 | 0.051 | 1 |
144 | 1 | 13 | PHE | CD2 | C | 131.511 | 0.051 | 1 |
145 | 1 | 13 | PHE | CE1 | C | 131.024 | 0.015 | 1 |
146 | 1 | 13 | PHE | CE2 | C | 131.024 | 0.015 | 1 |
147 | 1 | 13 | PHE | CZ | C | 130.358 | 0.009 | 1 |
148 | 1 | 13 | PHE | N | N | 119.308 | 0.056 | 1 |
149 | 1 | 14 | CYS | H | H | 8.486 | 0.003 | 1 |
150 | 1 | 14 | CYS | HA | H | 4.925 | 0.005 | 1 |
151 | 1 | 14 | CYS | HB2 | H | 3.415 | 0.009 | 2 |
152 | 1 | 14 | CYS | HB3 | H | 3.412 | 0.011 | 2 |
153 | 1 | 14 | CYS | CA | C | 59.276 | 0.075 | 1 |
154 | 1 | 14 | CYS | CB | C | 31.514 | 0.055 | 1 |
155 | 1 | 14 | CYS | N | N | 117.762 | 0.037 | 1 |
156 | 1 | 15 | GLY | H | H | 7.992 | 0.006 | 1 |
157 | 1 | 15 | GLY | HA2 | H | 3.854 | 0.007 | 2 |
158 | 1 | 15 | GLY | HA3 | H | 4.097 | 0.003 | 2 |
159 | 1 | 15 | GLY | CA | C | 46.471 | 0.053 | 1 |
160 | 1 | 15 | GLY | N | N | 111.713 | 0.031 | 1 |
161 | 1 | 16 | ARG | H | H | 8.534 | 0.006 | 1 |
162 | 1 | 16 | ARG | HA | H | 4.812 | 0.008 | 1 |
163 | 1 | 16 | ARG | HB2 | H | 2.274 | 0.004 | 2 |
164 | 1 | 16 | ARG | HB3 | H | 2.140 | 0.005 | 2 |
165 | 1 | 16 | ARG | HG2 | H | 1.685 | 0.002 | 2 |
166 | 1 | 16 | ARG | HG3 | H | 1.876 | 0.003 | 2 |
167 | 1 | 16 | ARG | HD2 | H | 3.286 | 0.003 | 2 |
168 | 1 | 16 | ARG | HD3 | H | 3.286 | 0.003 | 2 |
169 | 1 | 16 | ARG | CA | C | 55.339 | 0.009 | 1 |
170 | 1 | 16 | ARG | CB | C | 32.881 | 0.048 | 1 |
171 | 1 | 16 | ARG | CG | C | 27.582 | 0.077 | 1 |
172 | 1 | 16 | ARG | CD | C | 43.248 | 0.060 | 1 |
173 | 1 | 16 | ARG | N | N | 118.959 | 0.021 | 1 |
174 | 1 | 17 | GLY | H | H | 9.125 | 0.004 | 1 |
175 | 1 | 17 | GLY | HA2 | H | 3.749 | 0.006 | 2 |
176 | 1 | 17 | GLY | HA3 | H | 4.645 | 0.001 | 2 |
177 | 1 | 17 | GLY | CA | C | 44.641 | 0.055 | 1 |
178 | 1 | 17 | GLY | N | N | 109.861 | 0.017 | 1 |
179 | 1 | 18 | ASN | H | H | 7.658 | 0.005 | 1 |
180 | 1 | 18 | ASN | HA | H | 4.901 | 0.007 | 1 |
181 | 1 | 18 | ASN | HB2 | H | 3.037 | 0.006 | 2 |
182 | 1 | 18 | ASN | HB3 | H | 3.319 | 0.004 | 2 |
183 | 1 | 18 | ASN | CA | C | 51.869 | 0.010 | 1 |
184 | 1 | 18 | ASN | CB | C | 37.192 | 0.048 | 1 |
185 | 1 | 18 | ASN | N | N | 116.716 | 0.032 | 1 |
186 | 1 | 19 | ASN | H | H | 9.206 | 0.012 | 1 |
187 | 1 | 19 | ASN | HA | H | 4.447 | 0.002 | 1 |
188 | 1 | 19 | ASN | HB2 | H | 2.630 | 0.006 | 2 |
189 | 1 | 19 | ASN | HB3 | H | 2.962 | 0.009 | 2 |
190 | 1 | 19 | ASN | CA | C | 55.570 | 0.051 | 1 |
191 | 1 | 19 | ASN | CB | C | 38.629 | 0.075 | 1 |
192 | 1 | 19 | ASN | N | N | 117.254 | 0.024 | 1 |
193 | 1 | 20 | GLU | H | H | 9.340 | 0.009 | 1 |
194 | 1 | 20 | GLU | HA | H | 3.733 | 0.002 | 1 |
195 | 1 | 20 | GLU | HB2 | H | 2.009 | 0.003 | 2 |
196 | 1 | 20 | GLU | HB3 | H | 2.009 | 0.003 | 2 |
197 | 1 | 20 | GLU | HG2 | H | 2.489 | 0.004 | 2 |
198 | 1 | 20 | GLU | HG3 | H | 2.623 | 0.003 | 2 |
199 | 1 | 20 | GLU | CA | C | 60.953 | 0.070 | 1 |
200 | 1 | 20 | GLU | CB | C | 29.342 | 0.039 | 1 |
201 | 1 | 20 | GLU | CG | C | 36.239 | 0.048 | 1 |
202 | 1 | 20 | GLU | N | N | 115.519 | 0.056 | 1 |
203 | 1 | 21 | ASP | H | H | 9.338 | 0.009 | 1 |
204 | 1 | 21 | ASP | HA | H | 4.301 | 0.004 | 1 |
205 | 1 | 21 | ASP | HB2 | H | 2.705 | 0.007 | 2 |
206 | 1 | 21 | ASP | HB3 | H | 2.705 | 0.007 | 2 |
207 | 1 | 21 | ASP | CA | C | 54.665 | 0.073 | 1 |
208 | 1 | 21 | ASP | CB | C | 38.906 | 0.063 | 1 |
209 | 1 | 21 | ASP | N | N | 115.292 | 0.048 | 1 |
210 | 1 | 22 | LYS | H | H | 7.931 | 0.008 | 1 |
211 | 1 | 22 | LYS | HA | H | 4.412 | 0.002 | 1 |
212 | 1 | 22 | LYS | HB2 | H | 1.594 | 0.010 | 2 |
213 | 1 | 22 | LYS | HB3 | H | 2.985 | 0.006 | 2 |
214 | 1 | 22 | LYS | HG2 | H | 1.355 | 0.006 | 2 |
215 | 1 | 22 | LYS | HG3 | H | 1.540 | 0.015 | 2 |
216 | 1 | 22 | LYS | HD2 | H | 1.680 | 0.012 | 2 |
217 | 1 | 22 | LYS | HD3 | H | 1.814 | 0.009 | 2 |
218 | 1 | 22 | LYS | HE2 | H | 3.050 | 0.007 | 1 |
219 | 1 | 22 | LYS | HE3 | H | 3.050 | 0.007 | 1 |
220 | 1 | 22 | LYS | CA | C | 54.403 | 0.070 | 1 |
221 | 1 | 22 | LYS | CB | C | 33.787 | 0.056 | 1 |
222 | 1 | 22 | LYS | CG | C | 25.211 | 0.077 | 1 |
223 | 1 | 22 | LYS | CD | C | 28.950 | 0.061 | 1 |
224 | 1 | 22 | LYS | CE | C | 42.483 | 0.079 | 1 |
225 | 1 | 22 | LYS | N | N | 117.786 | 0.049 | 1 |
226 | 1 | 23 | LEU | H | H | 7.172 | 0.007 | 1 |
227 | 1 | 23 | LEU | HA | H | 4.116 | 0.009 | 1 |
228 | 1 | 23 | LEU | HB2 | H | 1.062 | 0.006 | 2 |
229 | 1 | 23 | LEU | HB3 | H | 2.013 | 0.002 | 2 |
230 | 1 | 23 | LEU | HG | H | 1.071 | 0.007 | 1 |
231 | 1 | 23 | LEU | HD11 | H | -0.020 | 0.006 | 2 |
232 | 1 | 23 | LEU | HD12 | H | -0.020 | 0.006 | 2 |
233 | 1 | 23 | LEU | HD13 | H | -0.020 | 0.006 | 2 |
234 | 1 | 23 | LEU | HD21 | H | 0.587 | 0.005 | 2 |
235 | 1 | 23 | LEU | HD22 | H | 0.587 | 0.005 | 2 |
236 | 1 | 23 | LEU | HD23 | H | 0.587 | 0.005 | 2 |
237 | 1 | 23 | LEU | CA | C | 54.174 | 0.062 | 1 |
238 | 1 | 23 | LEU | CB | C | 41.279 | 0.047 | 1 |
239 | 1 | 23 | LEU | CG | C | 26.548 | 0.079 | 1 |
240 | 1 | 23 | LEU | CD1 | C | 22.817 | 0.069 | 2 |
241 | 1 | 23 | LEU | CD2 | C | 26.632 | 0.020 | 2 |
242 | 1 | 23 | LEU | N | N | 123.994 | 0.041 | 1 |
243 | 1 | 24 | LEU | H | H | 8.127 | 0.005 | 1 |
244 | 1 | 24 | LEU | HA | H | 4.169 | 0.007 | 1 |
245 | 1 | 24 | LEU | HB2 | H | 1.232 | 0.011 | 2 |
246 | 1 | 24 | LEU | HB3 | H | 0.467 | 0.005 | 2 |
247 | 1 | 24 | LEU | HG | H | 1.280 | 0.008 | 1 |
248 | 1 | 24 | LEU | HD11 | H | -0.636 | 0.007 | 2 |
249 | 1 | 24 | LEU | HD12 | H | -0.636 | 0.007 | 2 |
250 | 1 | 24 | LEU | HD13 | H | -0.636 | 0.007 | 2 |
251 | 1 | 24 | LEU | HD21 | H | 0.334 | 0.006 | 2 |
252 | 1 | 24 | LEU | HD22 | H | 0.334 | 0.006 | 2 |
253 | 1 | 24 | LEU | HD23 | H | 0.334 | 0.006 | 2 |
254 | 1 | 24 | LEU | CA | C | 54.619 | 0.029 | 1 |
255 | 1 | 24 | LEU | CB | C | 43.316 | 0.076 | 1 |
256 | 1 | 24 | LEU | CG | C | 25.545 | 0.058 | 1 |
257 | 1 | 24 | LEU | CD1 | C | 24.753 | 0.066 | 2 |
258 | 1 | 24 | LEU | CD2 | C | 24.825 | 0.074 | 2 |
259 | 1 | 24 | LEU | N | N | 125.793 | 0.048 | 1 |
260 | 1 | 25 | LEU | H | H | 7.732 | 0.004 | 1 |
261 | 1 | 25 | LEU | HA | H | 4.573 | 0.006 | 1 |
262 | 1 | 25 | LEU | HB2 | H | 1.197 | 0.006 | 2 |
263 | 1 | 25 | LEU | HB3 | H | 1.377 | 0.003 | 2 |
264 | 1 | 25 | LEU | HG | H | 1.058 | 0.004 | 1 |
265 | 1 | 25 | LEU | HD11 | H | -0.023 | 0.005 | 2 |
266 | 1 | 25 | LEU | HD12 | H | -0.023 | 0.005 | 2 |
267 | 1 | 25 | LEU | HD13 | H | -0.023 | 0.005 | 2 |
268 | 1 | 25 | LEU | HD21 | H | 0.341 | 0.004 | 2 |
269 | 1 | 25 | LEU | HD22 | H | 0.341 | 0.004 | 2 |
270 | 1 | 25 | LEU | HD23 | H | 0.341 | 0.004 | 2 |
271 | 1 | 25 | LEU | CA | C | 52.764 | 0.010 | 1 |
272 | 1 | 25 | LEU | CB | C | 41.295 | 0.033 | 1 |
273 | 1 | 25 | LEU | CG | C | 26.987 | 0.051 | 1 |
274 | 1 | 25 | LEU | CD1 | C | 22.417 | 0.033 | 2 |
275 | 1 | 25 | LEU | CD2 | C | 25.699 | 0.043 | 2 |
276 | 1 | 25 | LEU | N | N | 118.564 | 0.037 | 1 |
277 | 1 | 26 | CYS | H | H | 8.973 | 0.005 | 1 |
278 | 1 | 26 | CYS | HA | H | 4.595 | 0.008 | 1 |
279 | 1 | 26 | CYS | HB2 | H | 2.931 | 0.014 | 2 |
280 | 1 | 26 | CYS | HB3 | H | 3.490 | 0.006 | 2 |
281 | 1 | 26 | CYS | CA | C | 60.964 | 0.008 | 1 |
282 | 1 | 26 | CYS | CB | C | 30.802 | 0.073 | 1 |
283 | 1 | 26 | CYS | N | N | 125.362 | 0.058 | 1 |
284 | 1 | 27 | ASP | H | H | 9.466 | 0.004 | 1 |
285 | 1 | 27 | ASP | HA | H | 4.757 | 0.010 | 1 |
286 | 1 | 27 | ASP | HB2 | H | 2.851 | 0.005 | 2 |
287 | 1 | 27 | ASP | HB3 | H | 2.493 | 0.006 | 2 |
288 | 1 | 27 | ASP | CA | C | 57.947 | 0.064 | 1 |
289 | 1 | 27 | ASP | CB | C | 41.416 | 0.059 | 1 |
290 | 1 | 27 | ASP | N | N | 129.518 | 0.037 | 1 |
291 | 1 | 28 | GLY | H | H | 10.302 | 0.003 | 1 |
292 | 1 | 28 | GLY | HA2 | H | 4.108 | 0.008 | 2 |
293 | 1 | 28 | GLY | HA3 | H | 4.255 | 0.007 | 2 |
294 | 1 | 28 | GLY | CA | C | 46.098 | 0.078 | 1 |
295 | 1 | 28 | GLY | N | N | 114.914 | 0.028 | 1 |
296 | 1 | 29 | CYS | H | H | 8.296 | 0.008 | 1 |
297 | 1 | 29 | CYS | HA | H | 4.909 | 0.003 | 1 |
298 | 1 | 29 | CYS | HB2 | H | 2.467 | 0.003 | 2 |
299 | 1 | 29 | CYS | HB3 | H | 3.159 | 0.004 | 2 |
300 | 1 | 29 | CYS | CA | C | 59.156 | 0.045 | 1 |
301 | 1 | 29 | CYS | CB | C | 33.363 | 0.027 | 1 |
302 | 1 | 29 | CYS | N | N | 122.142 | 0.041 | 1 |
303 | 1 | 30 | ASP | H | H | 8.302 | 0.006 | 1 |
304 | 1 | 30 | ASP | HA | H | 4.986 | 0.003 | 1 |
305 | 1 | 30 | ASP | HB2 | H | 2.679 | 0.013 | 2 |
306 | 1 | 30 | ASP | HB3 | H | 3.175 | 0.008 | 2 |
307 | 1 | 30 | ASP | CA | C | 56.683 | 0.022 | 1 |
308 | 1 | 30 | ASP | CB | C | 42.427 | 0.035 | 1 |
309 | 1 | 30 | ASP | N | N | 121.778 | 0.047 | 1 |
310 | 1 | 31 | ASP | H | H | 9.057 | 0.006 | 1 |
311 | 1 | 31 | ASP | HA | H | 4.829 | 0.005 | 1 |
312 | 1 | 31 | ASP | HB2 | H | 3.091 | 0.011 | 2 |
313 | 1 | 31 | ASP | HB3 | H | 2.725 | 0.005 | 2 |
314 | 1 | 31 | ASP | CA | C | 56.129 | 0.008 | 1 |
315 | 1 | 31 | ASP | CB | C | 42.147 | 0.074 | 1 |
316 | 1 | 31 | ASP | N | N | 122.539 | 0.016 | 1 |
317 | 1 | 32 | SER | H | H | 7.958 | 0.006 | 1 |
318 | 1 | 32 | SER | HA | H | 6.009 | 0.005 | 1 |
319 | 1 | 32 | SER | HB2 | H | 3.379 | 0.007 | 2 |
320 | 1 | 32 | SER | HB3 | H | 3.379 | 0.006 | 2 |
321 | 1 | 32 | SER | CA | C | 56.241 | 0.065 | 1 |
322 | 1 | 32 | SER | CB | C | 66.723 | 0.074 | 1 |
323 | 1 | 32 | SER | N | N | 112.624 | 0.029 | 1 |
324 | 1 | 33 | TYR | H | H | 8.643 | 0.009 | 1 |
325 | 1 | 33 | TYR | HA | H | 5.419 | 0.003 | 1 |
326 | 1 | 33 | TYR | HB2 | H | 2.664 | 0.008 | 2 |
327 | 1 | 33 | TYR | HB3 | H | 2.666 | 0.010 | 2 |
328 | 1 | 33 | TYR | HD1 | H | 6.943 | 0.008 | 1 |
329 | 1 | 33 | TYR | HD2 | H | 6.943 | 0.008 | 1 |
330 | 1 | 33 | TYR | HE1 | H | 6.546 | 0.008 | 1 |
331 | 1 | 33 | TYR | HE2 | H | 6.546 | 0.008 | 1 |
332 | 1 | 33 | TYR | CA | C | 56.559 | 0.073 | 1 |
333 | 1 | 33 | TYR | CB | C | 44.490 | 0.040 | 1 |
334 | 1 | 33 | TYR | CD1 | C | 133.538 | 0.069 | 1 |
335 | 1 | 33 | TYR | CD2 | C | 133.538 | 0.069 | 1 |
336 | 1 | 33 | TYR | CE1 | C | 117.776 | 0.045 | 1 |
337 | 1 | 33 | TYR | CE2 | C | 117.776 | 0.045 | 1 |
338 | 1 | 33 | TYR | N | N | 119.774 | 0.051 | 1 |
339 | 1 | 34 | HIS | H | H | 8.966 | 0.006 | 1 |
340 | 1 | 34 | HIS | HA | H | 5.197 | 0.004 | 1 |
341 | 1 | 34 | HIS | HB2 | H | 3.161 | 0.012 | 2 |
342 | 1 | 34 | HIS | HB3 | H | 1.294 | 0.006 | 2 |
343 | 1 | 34 | HIS | HD2 | H | 6.671 | 0.005 | 1 |
344 | 1 | 34 | HIS | HE1 | H | 7.541 | 0.006 | 1 |
345 | 1 | 34 | HIS | CA | C | 58.295 | 0.074 | 1 |
346 | 1 | 34 | HIS | CB | C | 30.238 | 0.075 | 1 |
347 | 1 | 34 | HIS | CD2 | C | 117.961 | 0.076 | 1 |
348 | 1 | 34 | HIS | CE1 | C | 139.156 | 0.066 | 1 |
349 | 1 | 34 | HIS | N | N | 122.137 | 0.025 | 1 |
350 | 1 | 35 | THR | H | H | 8.738 | 0.006 | 1 |
351 | 1 | 35 | THR | HA | H | 3.624 | 0.004 | 1 |
352 | 1 | 35 | THR | HB | H | 4.409 | 0.011 | 1 |
353 | 1 | 35 | THR | HG21 | H | 1.074 | 0.007 | 1 |
354 | 1 | 35 | THR | HG22 | H | 1.074 | 0.007 | 1 |
355 | 1 | 35 | THR | HG23 | H | 1.074 | 0.007 | 1 |
356 | 1 | 35 | THR | CA | C | 64.941 | 0.055 | 1 |
357 | 1 | 35 | THR | CB | C | 65.836 | 0.010 | 1 |
358 | 1 | 35 | THR | CG2 | C | 23.403 | 0.068 | 1 |
359 | 1 | 35 | THR | N | N | 112.898 | 0.023 | 1 |
360 | 1 | 36 | PHE | H | H | 6.553 | 0.009 | 1 |
361 | 1 | 36 | PHE | HA | H | 4.726 | 0.009 | 1 |
362 | 1 | 36 | PHE | HB2 | H | 3.002 | 0.002 | 2 |
363 | 1 | 36 | PHE | HB3 | H | 3.575 | 0.003 | 2 |
364 | 1 | 36 | PHE | HD1 | H | 7.267 | 0.005 | 1 |
365 | 1 | 36 | PHE | HD2 | H | 7.267 | 0.005 | 1 |
366 | 1 | 36 | PHE | HE1 | H | 7.006 | 0.007 | 1 |
367 | 1 | 36 | PHE | HE2 | H | 7.006 | 0.007 | 1 |
368 | 1 | 36 | PHE | HZ | H | 6.399 | 0.008 | 1 |
369 | 1 | 36 | PHE | CA | C | 56.232 | 0.033 | 1 |
370 | 1 | 36 | PHE | CB | C | 37.562 | 0.043 | 1 |
371 | 1 | 36 | PHE | CD1 | C | 133.267 | 0.069 | 1 |
372 | 1 | 36 | PHE | CD2 | C | 133.267 | 0.069 | 1 |
373 | 1 | 36 | PHE | CE1 | C | 131.996 | 0.069 | 1 |
374 | 1 | 36 | PHE | CE2 | C | 131.996 | 0.069 | 1 |
375 | 1 | 36 | PHE | CZ | C | 130.195 | 0.078 | 1 |
376 | 1 | 36 | PHE | N | N | 111.337 | 0.049 | 1 |
377 | 1 | 37 | CYS | H | H | 7.545 | 0.008 | 1 |
378 | 1 | 37 | CYS | HA | H | 4.432 | 0.005 | 1 |
379 | 1 | 37 | CYS | HB2 | H | 2.908 | 0.008 | 2 |
380 | 1 | 37 | CYS | HB3 | H | 3.500 | 0.005 | 2 |
381 | 1 | 37 | CYS | CA | C | 61.703 | 0.066 | 1 |
382 | 1 | 37 | CYS | CB | C | 31.538 | 0.065 | 1 |
383 | 1 | 37 | CYS | N | N | 123.486 | 0.037 | 1 |
384 | 1 | 38 | LEU | H | H | 6.528 | 0.009 | 1 |
385 | 1 | 38 | LEU | HA | H | 4.179 | 0.003 | 1 |
386 | 1 | 38 | LEU | HB2 | H | 1.490 | 0.009 | 2 |
387 | 1 | 38 | LEU | HB3 | H | 1.783 | 0.006 | 2 |
388 | 1 | 38 | LEU | HG | H | 1.881 | 0.010 | 1 |
389 | 1 | 38 | LEU | HD11 | H | 0.925 | 0.010 | 2 |
390 | 1 | 38 | LEU | HD12 | H | 0.925 | 0.010 | 2 |
391 | 1 | 38 | LEU | HD13 | H | 0.925 | 0.010 | 2 |
392 | 1 | 38 | LEU | HD21 | H | 0.796 | 0.006 | 2 |
393 | 1 | 38 | LEU | HD22 | H | 0.796 | 0.006 | 2 |
394 | 1 | 38 | LEU | HD23 | H | 0.796 | 0.006 | 2 |
395 | 1 | 38 | LEU | CA | C | 55.305 | 0.059 | 1 |
396 | 1 | 38 | LEU | CB | C | 44.440 | 0.034 | 1 |
397 | 1 | 38 | LEU | CG | C | 27.131 | 0.052 | 1 |
398 | 1 | 38 | LEU | CD1 | C | 27.093 | 0.010 | 2 |
399 | 1 | 38 | LEU | CD2 | C | 23.304 | 0.010 | 2 |
400 | 1 | 38 | LEU | N | N | 120.015 | 0.027 | 1 |
401 | 1 | 39 | ILE | H | H | 8.324 | 0.004 | 1 |
402 | 1 | 39 | ILE | HA | H | 4.270 | 0.002 | 1 |
403 | 1 | 39 | ILE | HB | H | 1.756 | 0.003 | 1 |
404 | 1 | 39 | ILE | HG12 | H | 1.415 | 0.004 | 2 |
405 | 1 | 39 | ILE | HG13 | H | 0.894 | 0.014 | 2 |
406 | 1 | 39 | ILE | HG21 | H | 0.821 | 0.006 | 1 |
407 | 1 | 39 | ILE | HG22 | H | 0.821 | 0.006 | 1 |
408 | 1 | 39 | ILE | HG23 | H | 0.821 | 0.006 | 1 |
409 | 1 | 39 | ILE | HD11 | H | 0.789 | 0.013 | 1 |
410 | 1 | 39 | ILE | HD12 | H | 0.789 | 0.013 | 1 |
411 | 1 | 39 | ILE | HD13 | H | 0.789 | 0.013 | 1 |
412 | 1 | 39 | ILE | CA | C | 57.889 | 0.035 | 1 |
413 | 1 | 39 | ILE | CB | C | 39.972 | 0.017 | 1 |
414 | 1 | 39 | ILE | CG1 | C | 26.909 | 0.062 | 1 |
415 | 1 | 39 | ILE | CG2 | C | 17.292 | 0.036 | 1 |
416 | 1 | 39 | ILE | CD1 | C | 13.355 | 0.068 | 1 |
417 | 1 | 39 | ILE | N | N | 118.593 | 0.011 | 1 |
418 | 1 | 40 | PRO | HA | H | 5.046 | 0.006 | 1 |
419 | 1 | 40 | PRO | HB2 | H | 2.075 | 0.006 | 2 |
420 | 1 | 40 | PRO | HB3 | H | 2.456 | 0.005 | 2 |
421 | 1 | 40 | PRO | HG2 | H | 1.913 | 0.006 | 2 |
422 | 1 | 40 | PRO | HG3 | H | 1.972 | 0.008 | 2 |
423 | 1 | 40 | PRO | HD2 | H | 3.527 | 0.004 | 2 |
424 | 1 | 40 | PRO | HD3 | H | 3.687 | 0.006 | 2 |
425 | 1 | 40 | PRO | CA | C | 62.129 | 0.071 | 1 |
426 | 1 | 40 | PRO | CB | C | 33.138 | 0.049 | 1 |
427 | 1 | 40 | PRO | CG | C | 24.798 | 0.022 | 1 |
428 | 1 | 40 | PRO | CD | C | 50.036 | 0.036 | 1 |
429 | 1 | 41 | PRO | HA | H | 4.346 | 0.002 | 1 |
430 | 1 | 41 | PRO | HB2 | H | 2.012 | 0.005 | 2 |
431 | 1 | 41 | PRO | HB3 | H | 2.267 | 0.004 | 2 |
432 | 1 | 41 | PRO | HG2 | H | 2.095 | 0.006 | 2 |
433 | 1 | 41 | PRO | HG3 | H | 2.095 | 0.006 | 2 |
434 | 1 | 41 | PRO | HD2 | H | 3.845 | 0.011 | 2 |
435 | 1 | 41 | PRO | HD3 | H | 3.924 | 0.002 | 2 |
436 | 1 | 41 | PRO | CA | C | 63.963 | 0.033 | 1 |
437 | 1 | 41 | PRO | CB | C | 31.952 | 0.079 | 1 |
438 | 1 | 41 | PRO | CG | C | 26.937 | 0.078 | 1 |
439 | 1 | 41 | PRO | CD | C | 50.676 | 0.074 | 1 |
440 | 1 | 42 | LEU | H | H | 7.182 | 0.003 | 1 |
441 | 1 | 42 | LEU | HA | H | 4.851 | 0.002 | 1 |
442 | 1 | 42 | LEU | HB2 | H | 1.381 | 0.002 | 2 |
443 | 1 | 42 | LEU | HB3 | H | 1.604 | 0.005 | 2 |
444 | 1 | 42 | LEU | HG | H | 1.837 | 0.013 | 1 |
445 | 1 | 42 | LEU | HD11 | H | 0.950 | 0.009 | 2 |
446 | 1 | 42 | LEU | HD12 | H | 0.950 | 0.009 | 2 |
447 | 1 | 42 | LEU | HD13 | H | 0.950 | 0.009 | 2 |
448 | 1 | 42 | LEU | HD21 | H | 0.792 | 0.005 | 2 |
449 | 1 | 42 | LEU | HD22 | H | 0.792 | 0.005 | 2 |
450 | 1 | 42 | LEU | HD23 | H | 0.792 | 0.005 | 2 |
451 | 1 | 42 | LEU | CA | C | 51.537 | 0.031 | 1 |
452 | 1 | 42 | LEU | CB | C | 42.939 | 0.058 | 1 |
453 | 1 | 42 | LEU | CG | C | 27.033 | 0.074 | 1 |
454 | 1 | 42 | LEU | CD1 | C | 22.727 | 0.055 | 2 |
455 | 1 | 42 | LEU | CD2 | C | 26.107 | 0.039 | 2 |
456 | 1 | 42 | LEU | N | N | 113.734 | 0.007 | 1 |
457 | 1 | 43 | PRO | HA | H | 4.449 | 0.005 | 1 |
458 | 1 | 43 | PRO | HB2 | H | 1.905 | 0.006 | 2 |
459 | 1 | 43 | PRO | HB3 | H | 2.250 | 0.006 | 2 |
460 | 1 | 43 | PRO | HG2 | H | 2.010 | 0.003 | 2 |
461 | 1 | 43 | PRO | HG3 | H | 2.143 | 0.012 | 2 |
462 | 1 | 43 | PRO | HD2 | H | 3.699 | 0.002 | 2 |
463 | 1 | 43 | PRO | HD3 | H | 3.699 | 0.002 | 2 |
464 | 1 | 43 | PRO | CA | C | 62.879 | 0.079 | 1 |
465 | 1 | 43 | PRO | CB | C | 32.000 | 0.038 | 1 |
466 | 1 | 43 | PRO | CG | C | 27.325 | 0.068 | 1 |
467 | 1 | 43 | PRO | CD | C | 49.954 | 0.052 | 1 |
468 | 1 | 44 | ASP | H | H | 7.811 | 0.004 | 1 |
469 | 1 | 44 | ASP | HA | H | 4.667 | 0.003 | 1 |
470 | 1 | 44 | ASP | HB2 | H | 2.565 | 0.005 | 2 |
471 | 1 | 44 | ASP | HB3 | H | 2.565 | 0.005 | 2 |
472 | 1 | 44 | ASP | CA | C | 51.595 | 0.011 | 1 |
473 | 1 | 44 | ASP | CB | C | 43.410 | 0.051 | 1 |
474 | 1 | 44 | ASP | N | N | 121.548 | 0.008 | 1 |
475 | 1 | 45 | VAL | H | H | 9.041 | 0.008 | 1 |
476 | 1 | 45 | VAL | HA | H | 3.668 | 0.006 | 1 |
477 | 1 | 45 | VAL | HB | H | 1.940 | 0.011 | 1 |
478 | 1 | 45 | VAL | HG11 | H | 1.012 | 0.013 | 2 |
479 | 1 | 45 | VAL | HG12 | H | 1.012 | 0.013 | 2 |
480 | 1 | 45 | VAL | HG13 | H | 1.012 | 0.013 | 2 |
481 | 1 | 45 | VAL | HG21 | H | 0.800 | 0.008 | 2 |
482 | 1 | 45 | VAL | HG22 | H | 0.800 | 0.008 | 2 |
483 | 1 | 45 | VAL | HG23 | H | 0.800 | 0.008 | 2 |
484 | 1 | 45 | VAL | CA | C | 61.182 | 0.032 | 1 |
485 | 1 | 45 | VAL | CB | C | 32.662 | 0.073 | 1 |
486 | 1 | 45 | VAL | CG1 | C | 22.427 | 0.038 | 2 |
487 | 1 | 45 | VAL | CG2 | C | 20.508 | 0.066 | 2 |
488 | 1 | 45 | VAL | N | N | 123.210 | 0.026 | 1 |
489 | 1 | 46 | PRO | HA | H | 4.451 | 0.005 | 1 |
490 | 1 | 46 | PRO | HB2 | H | 1.960 | 0.009 | 2 |
491 | 1 | 46 | PRO | HB3 | H | 2.437 | 0.009 | 2 |
492 | 1 | 46 | PRO | HG2 | H | 1.975 | 0.008 | 2 |
493 | 1 | 46 | PRO | HG3 | H | 1.975 | 0.006 | 2 |
494 | 1 | 46 | PRO | HD2 | H | 3.188 | 0.006 | 2 |
495 | 1 | 46 | PRO | HD3 | H | 3.866 | 0.005 | 2 |
496 | 1 | 46 | PRO | CA | C | 62.941 | 0.041 | 1 |
497 | 1 | 46 | PRO | CB | C | 32.395 | 0.065 | 1 |
498 | 1 | 46 | PRO | CG | C | 27.544 | 0.057 | 1 |
499 | 1 | 46 | PRO | CD | C | 51.256 | 0.076 | 1 |
500 | 1 | 47 | LYS | H | H | 8.558 | 0.003 | 1 |
501 | 1 | 47 | LYS | HA | H | 4.222 | 0.006 | 1 |
502 | 1 | 47 | LYS | HB2 | H | 1.826 | 0.004 | 2 |
503 | 1 | 47 | LYS | HB3 | H | 1.826 | 0.006 | 2 |
504 | 1 | 47 | LYS | HG2 | H | 1.500 | 0.008 | 2 |
505 | 1 | 47 | LYS | HG3 | H | 1.565 | 0.009 | 2 |
506 | 1 | 47 | LYS | HD2 | H | 1.706 | 0.009 | 2 |
507 | 1 | 47 | LYS | HD3 | H | 1.706 | 0.009 | 2 |
508 | 1 | 47 | LYS | HE2 | H | 3.034 | 0.004 | 2 |
509 | 1 | 47 | LYS | HE3 | H | 3.033 | 0.004 | 2 |
510 | 1 | 47 | LYS | CA | C | 57.225 | 0.032 | 1 |
511 | 1 | 47 | LYS | CB | C | 32.930 | 0.013 | 1 |
512 | 1 | 47 | LYS | CG | C | 25.140 | 0.028 | 1 |
513 | 1 | 47 | LYS | CD | C | 28.980 | 0.051 | 1 |
514 | 1 | 47 | LYS | CE | C | 42.375 | 0.077 | 1 |
515 | 1 | 47 | LYS | N | N | 120.780 | 0.019 | 1 |
516 | 1 | 48 | GLY | H | H | 8.301 | 0.001 | 1 |
517 | 1 | 48 | GLY | HA2 | H | 3.908 | 0.003 | 2 |
518 | 1 | 48 | GLY | HA3 | H | 4.242 | 0.003 | 2 |
519 | 1 | 48 | GLY | CA | C | 44.092 | 0.066 | 1 |
520 | 1 | 48 | GLY | N | N | 108.573 | 0.007 | 1 |
521 | 1 | 49 | ASP | H | H | 8.228 | 0.003 | 1 |
522 | 1 | 49 | ASP | HA | H | 4.687 | 0.003 | 1 |
523 | 1 | 49 | ASP | HB2 | H | 2.532 | 0.009 | 2 |
524 | 1 | 49 | ASP | HB3 | H | 2.682 | 0.007 | 2 |
525 | 1 | 49 | ASP | CA | C | 54.868 | 0.014 | 1 |
526 | 1 | 49 | ASP | CB | C | 41.538 | 0.043 | 1 |
527 | 1 | 49 | ASP | N | N | 120.081 | 0.017 | 1 |
528 | 1 | 50 | TRP | H | H | 9.547 | 0.006 | 1 |
529 | 1 | 50 | TRP | HA | H | 4.579 | 0.009 | 1 |
530 | 1 | 50 | TRP | HB2 | H | 2.886 | 0.011 | 2 |
531 | 1 | 50 | TRP | HB3 | H | 3.415 | 0.006 | 2 |
532 | 1 | 50 | TRP | HE1 | H | 11.964 | 0.001 | 1 |
533 | 1 | 50 | TRP | HE3 | H | 7.332 | 0.005 | 1 |
534 | 1 | 50 | TRP | HZ2 | H | 7.166 | 0.007 | 1 |
535 | 1 | 50 | TRP | HZ3 | H | 6.770 | 0.004 | 1 |
536 | 1 | 50 | TRP | HH2 | H | 6.768 | 0.006 | 1 |
537 | 1 | 50 | TRP | CA | C | 60.053 | 0.025 | 1 |
538 | 1 | 50 | TRP | CB | C | 31.532 | 0.065 | 1 |
539 | 1 | 50 | TRP | CE3 | C | 121.713 | 0.059 | 1 |
540 | 1 | 50 | TRP | CZ2 | C | 114.991 | 0.044 | 1 |
541 | 1 | 50 | TRP | CZ3 | C | 119.663 | 0.023 | 1 |
542 | 1 | 50 | TRP | CH2 | C | 121.934 | 0.074 | 1 |
543 | 1 | 50 | TRP | N | N | 124.041 | 0.022 | 1 |
544 | 1 | 50 | TRP | NE1 | N | 141.18 | 0.021 | 1 |
545 | 1 | 51 | ARG | H | H | 6.622 | 0.008 | 1 |
546 | 1 | 51 | ARG | HA | H | 4.979 | 0.004 | 1 |
547 | 1 | 51 | ARG | HB2 | H | 1.137 | 0.008 | 2 |
548 | 1 | 51 | ARG | HB3 | H | 1.215 | 0.011 | 2 |
549 | 1 | 51 | ARG | HG2 | H | 1.252 | 0.014 | 2 |
550 | 1 | 51 | ARG | HG3 | H | 1.485 | 0.009 | 2 |
551 | 1 | 51 | ARG | HD2 | H | 2.905 | 0.006 | 2 |
552 | 1 | 51 | ARG | HD3 | H | 2.979 | 0.005 | 2 |
553 | 1 | 51 | ARG | CA | C | 52.506 | 0.050 | 1 |
554 | 1 | 51 | ARG | CB | C | 33.780 | 0.069 | 1 |
555 | 1 | 51 | ARG | CG | C | 28.074 | 0.074 | 1 |
556 | 1 | 51 | ARG | CD | C | 43.196 | 0.052 | 1 |
557 | 1 | 51 | ARG | N | N | 124.569 | 0.045 | 1 |
558 | 1 | 52 | CYS | H | H | 9.170 | 0.005 | 1 |
559 | 1 | 52 | CYS | HA | H | 3.813 | 0.007 | 1 |
560 | 1 | 52 | CYS | HB2 | H | 3.236 | 0.014 | 2 |
561 | 1 | 52 | CYS | HB3 | H | 2.444 | 0.004 | 2 |
562 | 1 | 52 | CYS | CA | C | 57.116 | 0.077 | 1 |
563 | 1 | 52 | CYS | CB | C | 29.747 | 0.072 | 1 |
564 | 1 | 52 | CYS | N | N | 125.764 | 0.028 | 1 |
565 | 1 | 53 | PRO | HA | H | 4.085 | 0.004 | 1 |
566 | 1 | 53 | PRO | HB2 | H | 1.859 | 0.013 | 2 |
567 | 1 | 53 | PRO | HB3 | H | 2.406 | 0.011 | 2 |
568 | 1 | 53 | PRO | HG2 | H | 1.900 | 0.009 | 2 |
569 | 1 | 53 | PRO | HG3 | H | 1.898 | 0.010 | 2 |
570 | 1 | 53 | PRO | HD2 | H | 2.899 | 0.008 | 2 |
571 | 1 | 53 | PRO | HD3 | H | 3.206 | 0.006 | 2 |
572 | 1 | 53 | PRO | CA | C | 65.404 | 0.068 | 1 |
573 | 1 | 53 | PRO | CB | C | 32.230 | 0.065 | 1 |
574 | 1 | 53 | PRO | CG | C | 28.088 | 0.022 | 1 |
575 | 1 | 53 | PRO | CD | C | 49.838 | 0.062 | 1 |
576 | 1 | 54 | LYS | H | H | 7.974 | 0.011 | 1 |
577 | 1 | 54 | LYS | HA | H | 4.161 | 0.002 | 1 |
578 | 1 | 54 | LYS | HB2 | H | 1.915 | 0.012 | 2 |
579 | 1 | 54 | LYS | HB3 | H | 1.917 | 0.008 | 2 |
580 | 1 | 54 | LYS | HG2 | H | 1.363 | 0.005 | 2 |
581 | 1 | 54 | LYS | HG3 | H | 1.576 | 0.004 | 2 |
582 | 1 | 54 | LYS | HD2 | H | 1.744 | 0.004 | 2 |
583 | 1 | 54 | LYS | HD3 | H | 1.809 | 0.007 | 2 |
584 | 1 | 54 | LYS | HE2 | H | 3.058 | 0.004 | 2 |
585 | 1 | 54 | LYS | HE3 | H | 3.059 | 0.004 | 2 |
586 | 1 | 54 | LYS | CA | C | 59.133 | 0.079 | 1 |
587 | 1 | 54 | LYS | CB | C | 33.043 | 0.027 | 1 |
588 | 1 | 54 | LYS | CG | C | 25.032 | 0.059 | 1 |
589 | 1 | 54 | LYS | CD | C | 29.234 | 0.049 | 1 |
590 | 1 | 54 | LYS | CE | C | 42.237 | 0.069 | 1 |
591 | 1 | 54 | LYS | N | N | 118.650 | 0.058 | 1 |
592 | 1 | 55 | CYS | H | H | 8.142 | 0.005 | 1 |
593 | 1 | 55 | CYS | HA | H | 3.924 | 0.003 | 1 |
594 | 1 | 55 | CYS | HB2 | H | 2.723 | 0.006 | 2 |
595 | 1 | 55 | CYS | HB3 | H | 2.805 | 0.005 | 2 |
596 | 1 | 55 | CYS | CA | C | 64.513 | 0.075 | 1 |
597 | 1 | 55 | CYS | CB | C | 29.336 | 0.079 | 1 |
598 | 1 | 55 | CYS | N | N | 122.899 | 0.029 | 1 |
599 | 1 | 56 | VAL | H | H | 7.982 | 0.011 | 1 |
600 | 1 | 56 | VAL | HA | H | 3.741 | 0.007 | 1 |
601 | 1 | 56 | VAL | HB | H | 1.903 | 0.006 | 1 |
602 | 1 | 56 | VAL | HG11 | H | 0.766 | 0.005 | 2 |
603 | 1 | 56 | VAL | HG12 | H | 0.766 | 0.005 | 2 |
604 | 1 | 56 | VAL | HG13 | H | 0.766 | 0.005 | 2 |
605 | 1 | 56 | VAL | HG21 | H | 0.765 | 0.003 | 2 |
606 | 1 | 56 | VAL | HG22 | H | 0.765 | 0.003 | 2 |
607 | 1 | 56 | VAL | HG23 | H | 0.765 | 0.003 | 2 |
608 | 1 | 56 | VAL | CA | C | 64.103 | 0.051 | 1 |
609 | 1 | 56 | VAL | CB | C | 31.929 | 0.068 | 1 |
610 | 1 | 56 | VAL | CG1 | C | 21.508 | 0.071 | 2 |
611 | 1 | 56 | VAL | CG2 | C | 21.508 | 0.071 | 2 |
612 | 1 | 56 | VAL | N | N | 117.826 | 0.035 | 1 |
613 | 1 | 57 | ALA | H | H | 7.438 | 0.007 | 1 |
614 | 1 | 57 | ALA | HA | H | 4.251 | 0.002 | 1 |
615 | 1 | 57 | ALA | HB1 | H | 1.440 | 0.015 | 1 |
616 | 1 | 57 | ALA | HB2 | H | 1.440 | 0.015 | 1 |
617 | 1 | 57 | ALA | HB3 | H | 1.440 | 0.015 | 1 |
618 | 1 | 57 | ALA | CA | C | 52.967 | 0.073 | 1 |
619 | 1 | 57 | ALA | CB | C | 19.074 | 0.042 | 1 |
620 | 1 | 57 | ALA | N | N | 123.096 | 0.017 | 1 |
621 | 1 | 58 | GLU | H | H | 7.803 | 0.014 | 1 |
622 | 1 | 58 | GLU | HA | H | 4.255 | 0.004 | 1 |
623 | 1 | 58 | GLU | HB2 | H | 1.928 | 0.009 | 2 |
624 | 1 | 58 | GLU | HB3 | H | 2.105 | 0.006 | 2 |
625 | 1 | 58 | GLU | HG2 | H | 2.239 | 0.010 | 2 |
626 | 1 | 58 | GLU | HG3 | H | 2.346 | 0.009 | 2 |
627 | 1 | 58 | GLU | CA | C | 56.518 | 0.036 | 1 |
628 | 1 | 58 | GLU | CB | C | 30.400 | 0.069 | 1 |
629 | 1 | 58 | GLU | CG | C | 36.354 | 0.024 | 1 |
630 | 1 | 58 | GLU | N | N | 118.971 | 0.018 | 1 |
631 | 1 | 59 | GLU | H | H | 7.767 | 0.007 | 1 |
632 | 1 | 59 | GLU | HA | H | 4.056 | 0.002 | 1 |
633 | 1 | 59 | GLU | HB2 | H | 1.908 | 0.010 | 2 |
634 | 1 | 59 | GLU | HB3 | H | 2.014 | 0.003 | 2 |
635 | 1 | 59 | GLU | HG2 | H | 2.224 | 0.005 | 2 |
636 | 1 | 59 | GLU | HG3 | H | 2.225 | 0.006 | 2 |
637 | 1 | 59 | GLU | CA | C | 58.327 | 0.013 | 1 |
638 | 1 | 59 | GLU | CB | C | 31.099 | 0.072 | 1 |
639 | 1 | 59 | GLU | CG | C | 36.766 | 0.071 | 1 |
640 | 1 | 59 | GLU | N | N | 126.537 | 0.018 | 1 |
641 | 2 | 1 | ALA | HA | H | 4.289 | 0.002 | 1 |
642 | 2 | 1 | ALA | HB1 | H | 1.524 | 0.002 | 1 |
643 | 2 | 1 | ALA | HB2 | H | 1.524 | 0.002 | 1 |
644 | 2 | 1 | ALA | HB3 | H | 1.524 | 0.002 | 1 |
645 | 2 | 2 | ARG | HA | H | 4.333 | 0.002 | 1 |
646 | 2 | 2 | ARG | HB2 | H | 1.953 | 0.007 | 2 |
647 | 2 | 2 | ARG | HB3 | H | 1.830 | 0.011 | 2 |
648 | 2 | 2 | ARG | HG2 | H | 1.637 | 0.002 | 2 |
649 | 2 | 2 | ARG | HG3 | H | 1.706 | 0.002 | 2 |
650 | 2 | 2 | ARG | HD2 | H | 3.402 | 0.001 | 2 |
651 | 2 | 2 | ARG | HD3 | H | 3.402 | 0.001 | 2 |
652 | 2 | 3 | THR | H | H | 7.755 | 0.005 | 1 |
653 | 2 | 3 | THR | HA | H | 5.421 | 0.003 | 1 |
654 | 2 | 3 | THR | HB | H | 4.523 | 0.005 | 1 |
655 | 2 | 3 | THR | HG21 | H | 0.946 | 0.002 | 1 |
656 | 2 | 3 | THR | HG22 | H | 0.946 | 0.002 | 1 |
657 | 2 | 3 | THR | HG23 | H | 0.946 | 0.002 | 1 |
658 | 2 | 4 | LYS | H | H | 8.628 | 0.003 | 1 |
659 | 2 | 4 | LYS | HA | H | 3.720 | 0.004 | 1 |
660 | 2 | 4 | LYS | HB2 | H | 1.601 | 0.006 | 2 |
661 | 2 | 4 | LYS | HB3 | H | 2.036 | 0.004 | 2 |
662 | 2 | 4 | LYS | HG2 | H | 1.525 | 0.009 | 2 |
663 | 2 | 4 | LYS | HG3 | H | 1.364 | 0.005 | 2 |
664 | 2 | 4 | LYS | HD2 | H | 1.451 | 0.001 | 2 |
665 | 2 | 4 | LYS | HD3 | H | 1.451 | 0.003 | 2 |
666 | 2 | 5 | GLN | H | H | 7.232 | 0.005 | 1 |
667 | 2 | 5 | GLN | HA | H | 4.074 | 0.002 | 1 |
668 | 2 | 5 | GLN | HB2 | H | 1.700 | 0.006 | 2 |
669 | 2 | 5 | GLN | HB3 | H | 1.968 | 0.006 | 2 |
670 | 2 | 5 | GLN | HG2 | H | 2.154 | 0.008 | 2 |
671 | 2 | 5 | GLN | HG3 | H | 2.371 | 0.004 | 2 |
672 | 2 | 6 | THR | H | H | 7.938 | 0.005 | 1 |
673 | 2 | 6 | THR | HA | H | 4.155 | 0.003 | 1 |
674 | 2 | 6 | THR | HB | H | 4.452 | 0.002 | 1 |
675 | 2 | 6 | THR | HG21 | H | 1.288 | 0.004 | 1 |
676 | 2 | 6 | THR | HG22 | H | 1.288 | 0.004 | 1 |
677 | 2 | 6 | THR | HG23 | H | 1.288 | 0.004 | 1 |
678 | 2 | 7 | ALA | H | H | 8.336 | 0.002 | 1 |
679 | 2 | 7 | ALA | HA | H | 4.292 | 0.001 | 1 |
680 | 2 | 7 | ALA | HB1 | H | 1.451 | 0.003 | 1 |
681 | 2 | 7 | ALA | HB2 | H | 1.451 | 0.003 | 1 |
682 | 2 | 7 | ALA | HB3 | H | 1.451 | 0.003 | 1 |
683 | 2 | 8 | ARG | H | H | 7.511 | 0.002 | 1 |
684 | 2 | 8 | ARG | HA | H | 4.161 | 0.003 | 1 |
685 | 2 | 8 | ARG | HB2 | H | 1.878 | 0.005 | 2 |
686 | 2 | 8 | ARG | HB3 | H | 1.878 | 0.005 | 2 |
687 | 2 | 8 | ARG | HG2 | H | 1.626 | 0.002 | 2 |
688 | 2 | 8 | ARG | HG3 | H | 1.626 | 0.002 | 2 |
689 | 2 | 8 | ARG | HD2 | H | 3.208 | 0.003 | 2 |
690 | 2 | 8 | ARG | HD3 | H | 3.208 | 0.003 | 2 |
691 | 2 | 9 | LYS | H | H | 7.942 | 0.005 | 1 |
692 | 2 | 9 | LYS | HA | H | 4.394 | 0.002 | 1 |
693 | 2 | 9 | LYS | HB2 | H | 1.810 | 0.003 | 2 |
694 | 2 | 9 | LYS | HB3 | H | 1.948 | 0.007 | 2 |
695 | 2 | 9 | LYS | HG2 | H | 1.458 | 0.014 | 2 |
696 | 2 | 9 | LYS | HG3 | H | 1.503 | 0.004 | 2 |
697 | 2 | 9 | LYS | HD2 | H | 1.691 | 0.005 | 2 |
698 | 2 | 9 | LYS | HD3 | H | 1.691 | 0.005 | 2 |
699 | 2 | 9 | LYS | HE2 | H | 3.003 | 0.002 | 2 |
700 | 2 | 9 | LYS | HE3 | H | 3.003 | 0.002 | 2 |
701 | 2 | 10 | SER | H | H | 7.872 | 0.003 | 1 |
702 | 2 | 10 | SER | HA | H | 4.274 | 0.004 | 1 |
703 | 2 | 10 | SER | HB2 | H | 3.871 | 0.002 | 2 |
704 | 2 | 10 | SER | HB3 | H | 3.871 | 0.002 | 2 |