Solution structure of the PHD1 domain of histone demethylase KDM5A
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | na | sing | 1:CYS11:SG | 2:ZN1:ZN |
2 | na | sing | 1:CYS14:SG | 2:ZN1:ZN |
3 | na | sing | 1:HIS34:ND1 | 2:ZN1:ZN |
4 | na | sing | 1:CYS37:SG | 2:ZN1:ZN |
5 | na | sing | 1:CYS26:SG | 2:ZN1:ZN |
6 | na | sing | 1:CYS29:SG | 2:ZN1:ZN |
7 | na | sing | 1:CYS52:SG | 2:ZN1:ZN |
8 | na | sing | 1:CYS55:SG | 2:ZN1:ZN |
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 2 | SER | HA | H | 4.547 | 0.005 | 1 |
2 | 1 | 2 | SER | HB2 | H | 3.857 | 0.009 | 1 |
3 | 1 | 2 | SER | HB3 | H | 3.857 | 0.009 | 1 |
4 | 1 | 2 | SER | CA | C | 58.238 | 0.066 | 1 |
5 | 1 | 2 | SER | CB | C | 64.321 | 0.033 | 1 |
6 | 1 | 3 | VAL | H | H | 8.258 | 0.004 | 1 |
7 | 1 | 3 | VAL | HA | H | 4.067 | 0.003 | 1 |
8 | 1 | 3 | VAL | HB | H | 2.032 | 0.004 | 1 |
9 | 1 | 3 | VAL | HG11 | H | 0.819 | 0.004 | 2 |
10 | 1 | 3 | VAL | HG12 | H | 0.819 | 0.004 | 2 |
11 | 1 | 3 | VAL | HG13 | H | 0.819 | 0.004 | 2 |
12 | 1 | 3 | VAL | HG21 | H | 0.820 | 0.004 | 2 |
13 | 1 | 3 | VAL | HG22 | H | 0.820 | 0.004 | 2 |
14 | 1 | 3 | VAL | HG23 | H | 0.820 | 0.004 | 2 |
15 | 1 | 3 | VAL | CA | C | 62.336 | 0.048 | 1 |
16 | 1 | 3 | VAL | CB | C | 32.735 | 0.036 | 1 |
17 | 1 | 3 | VAL | CG1 | C | 21.376 | 0.076 | 2 |
18 | 1 | 3 | VAL | CG2 | C | 20.404 | 0.033 | 2 |
19 | 1 | 3 | VAL | N | N | 120.331 | 0.02 | 1 |
20 | 1 | 4 | ASN | H | H | 8.383 | 0.006 | 1 |
21 | 1 | 4 | ASN | HA | H | 4.673 | 0.006 | 1 |
22 | 1 | 4 | ASN | HB2 | H | 2.683 | 0.004 | 2 |
23 | 1 | 4 | ASN | HB3 | H | 2.703 | 0.008 | 2 |
24 | 1 | 4 | ASN | CA | C | 53.020 | 0.039 | 1 |
25 | 1 | 4 | ASN | CB | C | 39.180 | 0.053 | 1 |
26 | 1 | 4 | ASN | N | N | 121.470 | 0.056 | 1 |
27 | 1 | 5 | PHE | H | H | 8.072 | 0.012 | 1 |
28 | 1 | 5 | PHE | HA | H | 4.627 | 0.007 | 1 |
29 | 1 | 5 | PHE | HB2 | H | 3.016 | 0.01 | 2 |
30 | 1 | 5 | PHE | HB3 | H | 3.200 | 0.004 | 2 |
31 | 1 | 5 | PHE | HD1 | H | 7.257 | 0.004 | 1 |
32 | 1 | 5 | PHE | HD2 | H | 7.257 | 0.004 | 1 |
33 | 1 | 5 | PHE | HE1 | H | 7.353 | 0.006 | 1 |
34 | 1 | 5 | PHE | HE2 | H | 7.353 | 0.006 | 1 |
35 | 1 | 5 | PHE | HZ | H | 7.297 | 0.012 | 1 |
36 | 1 | 5 | PHE | CA | C | 58.072 | 0.062 | 1 |
37 | 1 | 5 | PHE | CB | C | 39.625 | 0.064 | 1 |
38 | 1 | 5 | PHE | CD1 | C | 131.759 | 0.062 | 1 |
39 | 1 | 5 | PHE | CD2 | C | 131.759 | 0.062 | 1 |
40 | 1 | 5 | PHE | CE1 | C | 131.875 | 0.073 | 1 |
41 | 1 | 5 | PHE | CE2 | C | 131.875 | 0.073 | 1 |
42 | 1 | 5 | PHE | CZ | C | 130.005 | 0.009 | 1 |
43 | 1 | 5 | PHE | N | N | 119.895 | 0.041 | 1 |
44 | 1 | 6 | VAL | H | H | 8.005 | 0.007 | 1 |
45 | 1 | 6 | VAL | HA | H | 4.071 | 0.004 | 1 |
46 | 1 | 6 | VAL | HB | H | 2.018 | 0.004 | 1 |
47 | 1 | 6 | VAL | HG11 | H | 0.867 | 0.011 | 2 |
48 | 1 | 6 | VAL | HG12 | H | 0.867 | 0.011 | 2 |
49 | 1 | 6 | VAL | HG13 | H | 0.867 | 0.011 | 2 |
50 | 1 | 6 | VAL | HG21 | H | 0.870 | 0.013 | 2 |
51 | 1 | 6 | VAL | HG22 | H | 0.870 | 0.013 | 2 |
52 | 1 | 6 | VAL | HG23 | H | 0.870 | 0.013 | 2 |
53 | 1 | 6 | VAL | CA | C | 62.379 | 0.034 | 1 |
54 | 1 | 6 | VAL | CB | C | 32.890 | 0.077 | 1 |
55 | 1 | 6 | VAL | CG1 | C | 21.145 | 0.053 | 2 |
56 | 1 | 6 | VAL | CG2 | C | 20.169 | 0.033 | 2 |
57 | 1 | 6 | VAL | N | N | 120.279 | 0.055 | 1 |
58 | 1 | 7 | ASP | H | H | 8.225 | 0.013 | 1 |
59 | 1 | 7 | ASP | HA | H | 4.485 | 0.002 | 1 |
60 | 1 | 7 | ASP | HB2 | H | 2.546 | 0.005 | 2 |
61 | 1 | 7 | ASP | HB3 | H | 2.601 | 0.005 | 2 |
62 | 1 | 7 | ASP | CA | C | 54.637 | 0.073 | 1 |
63 | 1 | 7 | ASP | CB | C | 41.230 | 0.051 | 1 |
64 | 1 | 7 | ASP | N | N | 122.227 | 0.06 | 1 |
65 | 1 | 8 | LEU | H | H | 7.939 | 0.008 | 1 |
66 | 1 | 8 | LEU | HA | H | 4.216 | 0.012 | 1 |
67 | 1 | 8 | LEU | HB2 | H | 1.312 | 0.009 | 2 |
68 | 1 | 8 | LEU | HB3 | H | 1.404 | 0.005 | 2 |
69 | 1 | 8 | LEU | HG | H | 1.388 | 0.004 | 1 |
70 | 1 | 8 | LEU | HD11 | H | 0.834 | 0.01 | 2 |
71 | 1 | 8 | LEU | HD12 | H | 0.834 | 0.01 | 2 |
72 | 1 | 8 | LEU | HD13 | H | 0.834 | 0.01 | 2 |
73 | 1 | 8 | LEU | HD21 | H | 0.764 | 0.008 | 2 |
74 | 1 | 8 | LEU | HD22 | H | 0.764 | 0.008 | 2 |
75 | 1 | 8 | LEU | HD23 | H | 0.764 | 0.008 | 2 |
76 | 1 | 8 | LEU | CA | C | 55.199 | 0.052 | 1 |
77 | 1 | 8 | LEU | CB | C | 42.950 | 0.069 | 1 |
78 | 1 | 8 | LEU | CG | C | 26.894 | 0.067 | 1 |
79 | 1 | 8 | LEU | CD1 | C | 24.667 | 0.08 | 2 |
80 | 1 | 8 | LEU | CD2 | C | 23.772 | 0.058 | 2 |
81 | 1 | 8 | LEU | N | N | 120.975 | 0.05 | 1 |
82 | 1 | 9 | TYR | H | H | 8.030 | 0.007 | 1 |
83 | 1 | 9 | TYR | HA | H | 4.579 | 0.005 | 1 |
84 | 1 | 9 | TYR | HB2 | H | 2.953 | 0.006 | 2 |
85 | 1 | 9 | TYR | HB3 | H | 2.677 | 0.006 | 2 |
86 | 1 | 9 | TYR | HD1 | H | 7.106 | 0.005 | 1 |
87 | 1 | 9 | TYR | HD2 | H | 7.106 | 0.005 | 1 |
88 | 1 | 9 | TYR | HE1 | H | 6.818 | 0.007 | 1 |
89 | 1 | 9 | TYR | HE2 | H | 6.818 | 0.007 | 1 |
90 | 1 | 9 | TYR | CA | C | 57.227 | 0.076 | 1 |
91 | 1 | 9 | TYR | CB | C | 39.182 | 0.076 | 1 |
92 | 1 | 9 | TYR | CD1 | C | 133.147 | 0.026 | 1 |
93 | 1 | 9 | TYR | CD2 | C | 133.147 | 0.026 | 1 |
94 | 1 | 9 | TYR | CE1 | C | 118.431 | 0.073 | 1 |
95 | 1 | 9 | TYR | CE2 | C | 118.431 | 0.073 | 1 |
96 | 1 | 9 | TYR | N | N | 120.533 | 0.051 | 1 |
97 | 1 | 10 | VAL | H | H | 7.844 | 0.01 | 1 |
98 | 1 | 10 | VAL | HA | H | 4.045 | 0.003 | 1 |
99 | 1 | 10 | VAL | HB | H | 1.530 | 0.005 | 1 |
100 | 1 | 10 | VAL | HG11 | H | 0.624 | 0.008 | 2 |
101 | 1 | 10 | VAL | HG12 | H | 0.624 | 0.008 | 2 |
102 | 1 | 10 | VAL | HG13 | H | 0.624 | 0.008 | 2 |
103 | 1 | 10 | VAL | HG21 | H | 0.634 | 0.009 | 2 |
104 | 1 | 10 | VAL | HG22 | H | 0.634 | 0.009 | 2 |
105 | 1 | 10 | VAL | HG23 | H | 0.634 | 0.009 | 2 |
106 | 1 | 10 | VAL | CA | C | 59.487 | 0.04 | 1 |
107 | 1 | 10 | VAL | CB | C | 35.215 | 0.036 | 1 |
108 | 1 | 10 | VAL | CG1 | C | 19.304 | 0.029 | 2 |
109 | 1 | 10 | VAL | CG2 | C | 21.282 | 0.031 | 2 |
110 | 1 | 10 | VAL | N | N | 114.914 | 0.04 | 1 |
111 | 1 | 11 | CYS | H | H | 7.532 | 0.01 | 1 |
112 | 1 | 11 | CYS | HA | H | 3.871 | 0.007 | 1 |
113 | 1 | 11 | CYS | HB2 | H | 1.967 | 0.006 | 2 |
114 | 1 | 11 | CYS | HB3 | H | 3.524 | 0.005 | 2 |
115 | 1 | 11 | CYS | CA | C | 58.132 | 0.059 | 1 |
116 | 1 | 11 | CYS | CB | C | 31.882 | 0.034 | 1 |
117 | 1 | 11 | CYS | N | N | 124.918 | 0.04 | 1 |
118 | 1 | 12 | MET | H | H | 8.666 | 0.007 | 1 |
119 | 1 | 12 | MET | HA | H | 4.240 | 0.008 | 1 |
120 | 1 | 12 | MET | HB2 | H | 1.386 | 0.005 | 2 |
121 | 1 | 12 | MET | HB3 | H | 1.762 | 0.008 | 2 |
122 | 1 | 12 | MET | HG2 | H | 2.375 | 0.006 | 2 |
123 | 1 | 12 | MET | HG3 | H | 2.614 | 0.006 | 2 |
124 | 1 | 12 | MET | HE1 | H | 2.085 | 0.007 | 1 |
125 | 1 | 12 | MET | HE2 | H | 2.085 | 0.007 | 1 |
126 | 1 | 12 | MET | HE3 | H | 2.085 | 0.007 | 1 |
127 | 1 | 12 | MET | CA | C | 56.352 | 0.059 | 1 |
128 | 1 | 12 | MET | CB | C | 31.581 | 0.076 | 1 |
129 | 1 | 12 | MET | CG | C | 32.571 | 0.075 | 1 |
130 | 1 | 12 | MET | CE | C | 16.941 | 0.03 | 1 |
131 | 1 | 12 | MET | N | N | 127.888 | 0.021 | 1 |
132 | 1 | 13 | PHE | H | H | 8.935 | 0.012 | 1 |
133 | 1 | 13 | PHE | HA | H | 4.993 | 0.004 | 1 |
134 | 1 | 13 | PHE | HB2 | H | 3.414 | 0.004 | 2 |
135 | 1 | 13 | PHE | HB3 | H | 3.240 | 0.004 | 2 |
136 | 1 | 13 | PHE | HD1 | H | 7.564 | 0.005 | 1 |
137 | 1 | 13 | PHE | HD2 | H | 7.564 | 0.005 | 1 |
138 | 1 | 13 | PHE | HE1 | H | 7.526 | 0.002 | 1 |
139 | 1 | 13 | PHE | HE2 | H | 7.526 | 0.002 | 1 |
140 | 1 | 13 | PHE | HZ | H | 7.437 | 0.004 | 1 |
141 | 1 | 13 | PHE | CA | C | 59.129 | 0.041 | 1 |
142 | 1 | 13 | PHE | CB | C | 40.654 | 0.028 | 1 |
143 | 1 | 13 | PHE | CD1 | C | 131.624 | 0.072 | 1 |
144 | 1 | 13 | PHE | CD2 | C | 131.624 | 0.072 | 1 |
145 | 1 | 13 | PHE | CE1 | C | 131.004 | 1 | |
146 | 1 | 13 | PHE | CE2 | C | 131.004 | 1 | |
147 | 1 | 13 | PHE | CZ | C | 129.928 | 0.037 | 1 |
148 | 1 | 13 | PHE | N | N | 120.159 | 0.03 | 1 |
149 | 1 | 14 | CYS | H | H | 8.491 | 0.011 | 1 |
150 | 1 | 14 | CYS | HA | H | 4.900 | 0.003 | 1 |
151 | 1 | 14 | CYS | HB2 | H | 3.399 | 0.007 | 2 |
152 | 1 | 14 | CYS | HB3 | H | 3.400 | 0.008 | 2 |
153 | 1 | 14 | CYS | CA | C | 59.085 | 0.074 | 1 |
154 | 1 | 14 | CYS | CB | C | 31.435 | 0.071 | 1 |
155 | 1 | 14 | CYS | N | N | 117.765 | 0.036 | 1 |
156 | 1 | 15 | GLY | H | H | 8.051 | 0.01 | 1 |
157 | 1 | 15 | GLY | HA2 | H | 3.855 | 0.01 | 2 |
158 | 1 | 15 | GLY | HA3 | H | 4.070 | 0.008 | 2 |
159 | 1 | 15 | GLY | CA | C | 46.505 | 0.065 | 1 |
160 | 1 | 15 | GLY | N | N | 112.169 | 0.035 | 1 |
161 | 1 | 16 | ARG | H | H | 8.525 | 0.009 | 1 |
162 | 1 | 16 | ARG | HA | H | 4.818 | 0.005 | 1 |
163 | 1 | 16 | ARG | HB2 | H | 2.145 | 0.003 | 2 |
164 | 1 | 16 | ARG | HB3 | H | 2.287 | 0.003 | 2 |
165 | 1 | 16 | ARG | HG2 | H | 1.691 | 0.005 | 2 |
166 | 1 | 16 | ARG | HG3 | H | 1.858 | 0.008 | 2 |
167 | 1 | 16 | ARG | HD2 | H | 3.292 | 0.005 | 2 |
168 | 1 | 16 | ARG | HD3 | H | 3.292 | 0.005 | 2 |
169 | 1 | 16 | ARG | CA | C | 55.193 | 0.032 | 1 |
170 | 1 | 16 | ARG | CB | C | 33.341 | 0.026 | 1 |
171 | 1 | 16 | ARG | CG | C | 27.472 | 0.026 | 1 |
172 | 1 | 16 | ARG | CD | C | 43.258 | 0.029 | 1 |
173 | 1 | 16 | ARG | N | N | 119.286 | 0.02 | 1 |
174 | 1 | 17 | GLY | H | H | 8.965 | 0.006 | 1 |
175 | 1 | 17 | GLY | HA2 | H | 3.755 | 0.01 | 2 |
176 | 1 | 17 | GLY | HA3 | H | 4.690 | 0.001 | 2 |
177 | 1 | 17 | GLY | CA | C | 44.617 | 0.059 | 1 |
178 | 1 | 17 | GLY | N | N | 109.404 | 0.03 | 1 |
179 | 1 | 18 | ASN | H | H | 7.728 | 0.01 | 1 |
180 | 1 | 18 | ASN | HA | H | 4.858 | 0.003 | 1 |
181 | 1 | 18 | ASN | HB2 | H | 3.207 | 0.002 | 2 |
182 | 1 | 18 | ASN | HB3 | H | 3.023 | 0.007 | 2 |
183 | 1 | 18 | ASN | CA | C | 52.203 | 0.051 | 1 |
184 | 1 | 18 | ASN | CB | C | 37.631 | 0.021 | 1 |
185 | 1 | 18 | ASN | N | N | 115.364 | 0.03 | 1 |
186 | 1 | 19 | ASN | H | H | 9.236 | 0.009 | 1 |
187 | 1 | 19 | ASN | HA | H | 4.457 | 0.007 | 1 |
188 | 1 | 19 | ASN | HB2 | H | 2.986 | 0.007 | 2 |
189 | 1 | 19 | ASN | HB3 | H | 2.672 | 0.005 | 2 |
190 | 1 | 19 | ASN | CA | C | 55.330 | 0.046 | 1 |
191 | 1 | 19 | ASN | CB | C | 38.482 | 0.043 | 1 |
192 | 1 | 19 | ASN | N | N | 115.914 | 0.042 | 1 |
193 | 1 | 20 | GLU | H | H | 9.823 | 0.014 | 1 |
194 | 1 | 20 | GLU | HA | H | 3.870 | 0.006 | 1 |
195 | 1 | 20 | GLU | HB2 | H | 2.186 | 0.004 | 2 |
196 | 1 | 20 | GLU | HB3 | H | 2.037 | 0.011 | 2 |
197 | 1 | 20 | GLU | HG2 | H | 2.451 | 0.008 | 2 |
198 | 1 | 20 | GLU | HG3 | H | 2.451 | 0.008 | 2 |
199 | 1 | 20 | GLU | CA | C | 60.413 | 0.065 | 1 |
200 | 1 | 20 | GLU | CB | C | 28.515 | 0.045 | 1 |
201 | 1 | 20 | GLU | CG | C | 36.331 | 0.025 | 1 |
202 | 1 | 20 | GLU | N | N | 117.252 | 0.033 | 1 |
203 | 1 | 21 | ASP | H | H | 9.160 | 0.008 | 1 |
204 | 1 | 21 | ASP | HA | H | 4.449 | 0.006 | 1 |
205 | 1 | 21 | ASP | HB2 | H | 2.771 | 0.005 | 2 |
206 | 1 | 21 | ASP | HB3 | H | 2.771 | 0.005 | 2 |
207 | 1 | 21 | ASP | CA | C | 55.271 | 0.071 | 1 |
208 | 1 | 21 | ASP | CB | C | 39.071 | 0.028 | 1 |
209 | 1 | 21 | ASP | N | N | 117.934 | 0.029 | 1 |
210 | 1 | 22 | LYS | H | H | 8.171 | 0.01 | 1 |
211 | 1 | 22 | LYS | HA | H | 4.429 | 0.005 | 1 |
212 | 1 | 22 | LYS | HB2 | H | 2.909 | 0.005 | 2 |
213 | 1 | 22 | LYS | HB3 | H | 1.756 | 0.005 | 2 |
214 | 1 | 22 | LYS | HG2 | H | 1.409 | 0.008 | 2 |
215 | 1 | 22 | LYS | HG3 | H | 1.567 | 0.003 | 2 |
216 | 1 | 22 | LYS | HD2 | H | 1.664 | 0.005 | 2 |
217 | 1 | 22 | LYS | HD3 | H | 1.763 | 0.006 | 2 |
218 | 1 | 22 | LYS | HE2 | H | 3.050 | 0.007 | 2 |
219 | 1 | 22 | LYS | HE3 | H | 3.050 | 0.007 | 2 |
220 | 1 | 22 | LYS | CA | C | 54.392 | 0.018 | 1 |
221 | 1 | 22 | LYS | CB | C | 32.731 | 0.021 | 1 |
222 | 1 | 22 | LYS | CG | C | 25.223 | 0.08 | 1 |
223 | 1 | 22 | LYS | CD | C | 28.750 | 0.039 | 1 |
224 | 1 | 22 | LYS | CE | C | 42.577 | 0.071 | 1 |
225 | 1 | 22 | LYS | N | N | 118.558 | 0.03 | 1 |
226 | 1 | 23 | LEU | H | H | 7.272 | 0.007 | 1 |
227 | 1 | 23 | LEU | HA | H | 4.176 | 0.014 | 1 |
228 | 1 | 23 | LEU | HB2 | H | 1.372 | 0.004 | 2 |
229 | 1 | 23 | LEU | HB3 | H | 1.580 | 0.003 | 2 |
230 | 1 | 23 | LEU | HG | H | 1.225 | 0.007 | 1 |
231 | 1 | 23 | LEU | HD11 | H | 0.307 | 0.011 | 2 |
232 | 1 | 23 | LEU | HD12 | H | 0.307 | 0.011 | 2 |
233 | 1 | 23 | LEU | HD13 | H | 0.307 | 0.011 | 2 |
234 | 1 | 23 | LEU | HD21 | H | 0.309 | 0.01 | 2 |
235 | 1 | 23 | LEU | HD22 | H | 0.309 | 0.01 | 2 |
236 | 1 | 23 | LEU | HD23 | H | 0.309 | 0.01 | 2 |
237 | 1 | 23 | LEU | CA | C | 54.730 | 0.052 | 1 |
238 | 1 | 23 | LEU | CB | C | 43.098 | 0.072 | 1 |
239 | 1 | 23 | LEU | CG | C | 26.500 | 0.055 | 1 |
240 | 1 | 23 | LEU | CD1 | C | 24.363 | 0.052 | 2 |
241 | 1 | 23 | LEU | CD2 | C | 24.369 | 0.048 | 2 |
242 | 1 | 23 | LEU | N | N | 121.480 | 0.03 | 1 |
243 | 1 | 24 | LEU | H | H | 8.734 | 0.009 | 1 |
244 | 1 | 24 | LEU | HA | H | 4.226 | 0.006 | 1 |
245 | 1 | 24 | LEU | HB2 | H | 0.616 | 0.004 | 2 |
246 | 1 | 24 | LEU | HB3 | H | 1.033 | 0.004 | 2 |
247 | 1 | 24 | LEU | HG | H | 1.179 | 0.006 | 1 |
248 | 1 | 24 | LEU | HD11 | H | -0.383 | 0.007 | 2 |
249 | 1 | 24 | LEU | HD12 | H | -0.383 | 0.007 | 2 |
250 | 1 | 24 | LEU | HD13 | H | -0.383 | 0.007 | 2 |
251 | 1 | 24 | LEU | HD21 | H | 0.243 | 0.003 | 2 |
252 | 1 | 24 | LEU | HD22 | H | 0.243 | 0.003 | 2 |
253 | 1 | 24 | LEU | HD23 | H | 0.243 | 0.003 | 2 |
254 | 1 | 24 | LEU | CA | C | 53.582 | 0.044 | 1 |
255 | 1 | 24 | LEU | CB | C | 43.394 | 0.054 | 1 |
256 | 1 | 24 | LEU | CG | C | 25.898 | 0.047 | 1 |
257 | 1 | 24 | LEU | CD1 | C | 24.817 | 0.069 | 2 |
258 | 1 | 24 | LEU | CD2 | C | 23.863 | 0.07 | 2 |
259 | 1 | 24 | LEU | N | N | 126.922 | 0.045 | 1 |
260 | 1 | 25 | LEU | H | H | 8.127 | 0.007 | 1 |
261 | 1 | 25 | LEU | HA | H | 4.740 | 0.006 | 1 |
262 | 1 | 25 | LEU | HB2 | H | 1.215 | 0.005 | 2 |
263 | 1 | 25 | LEU | HB3 | H | 1.523 | 0.003 | 2 |
264 | 1 | 25 | LEU | HG | H | 1.307 | 0.005 | 1 |
265 | 1 | 25 | LEU | HD11 | H | 0.602 | 0.008 | 2 |
266 | 1 | 25 | LEU | HD12 | H | 0.602 | 0.008 | 2 |
267 | 1 | 25 | LEU | HD13 | H | 0.602 | 0.008 | 2 |
268 | 1 | 25 | LEU | HD21 | H | 0.587 | 0.007 | 2 |
269 | 1 | 25 | LEU | HD22 | H | 0.587 | 0.007 | 2 |
270 | 1 | 25 | LEU | HD23 | H | 0.587 | 0.007 | 2 |
271 | 1 | 25 | LEU | CA | C | 53.396 | 0.065 | 1 |
272 | 1 | 25 | LEU | CB | C | 43.810 | 0.056 | 1 |
273 | 1 | 25 | LEU | CG | C | 27.337 | 0.055 | 1 |
274 | 1 | 25 | LEU | CD1 | C | 24.007 | 0.052 | 2 |
275 | 1 | 25 | LEU | CD2 | C | 25.148 | 0.053 | 2 |
276 | 1 | 25 | LEU | N | N | 122.828 | 0.05 | 1 |
277 | 1 | 26 | CYS | H | H | 9.116 | 0.007 | 1 |
278 | 1 | 26 | CYS | HA | H | 4.657 | 0.008 | 1 |
279 | 1 | 26 | CYS | HB2 | H | 2.937 | 0.005 | 2 |
280 | 1 | 26 | CYS | HB3 | H | 3.539 | 0.004 | 2 |
281 | 1 | 26 | CYS | CA | C | 60.355 | 0.053 | 1 |
282 | 1 | 26 | CYS | CB | C | 30.929 | 0.06 | 1 |
283 | 1 | 26 | CYS | N | N | 128.035 | 0.045 | 1 |
284 | 1 | 27 | ASP | H | H | 9.231 | 0.005 | 1 |
285 | 1 | 27 | ASP | CA | C | 56.990 | 0.018 | 1 |
286 | 1 | 27 | ASP | CB | C | 41.929 | 0.023 | 1 |
287 | 1 | 27 | ASP | N | N | 129.838 | 0.043 | 1 |
288 | 1 | 28 | GLY | H | H | 9.999 | 0.013 | 1 |
289 | 1 | 28 | GLY | HA2 | H | 4.048 | 0.009 | 2 |
290 | 1 | 28 | GLY | HA3 | H | 4.155 | 0.007 | 2 |
291 | 1 | 28 | GLY | CA | C | 46.202 | 0.069 | 1 |
292 | 1 | 28 | GLY | N | N | 112.767 | 0.054 | 1 |
293 | 1 | 29 | CYS | H | H | 8.025 | 0.014 | 1 |
294 | 1 | 29 | CYS | CA | C | 58.532 | 0.018 | 1 |
295 | 1 | 29 | CYS | CB | C | 32.802 | 1 | |
296 | 1 | 29 | CYS | N | N | 120.999 | 0.053 | 1 |
297 | 1 | 30 | ASP | H | H | 8.164 | 0.006 | 1 |
298 | 1 | 30 | ASP | HA | H | 4.705 | 0.007 | 1 |
299 | 1 | 30 | ASP | HB2 | H | 3.121 | 0.01 | 2 |
300 | 1 | 30 | ASP | HB3 | H | 2.821 | 0.008 | 2 |
301 | 1 | 30 | ASP | CA | C | 56.408 | 0.032 | 1 |
302 | 1 | 30 | ASP | CB | C | 41.417 | 0.072 | 1 |
303 | 1 | 30 | ASP | N | N | 119.080 | 0.052 | 1 |
304 | 1 | 31 | ASP | H | H | 8.794 | 0.013 | 1 |
305 | 1 | 31 | ASP | HA | H | 4.808 | 0.007 | 1 |
306 | 1 | 31 | ASP | HB2 | H | 3.116 | 0.013 | 2 |
307 | 1 | 31 | ASP | HB3 | H | 2.609 | 0.008 | 2 |
308 | 1 | 31 | ASP | CA | C | 55.740 | 0.067 | 1 |
309 | 1 | 31 | ASP | CB | C | 42.413 | 0.056 | 1 |
310 | 1 | 31 | ASP | N | N | 122.738 | 0.028 | 1 |
311 | 1 | 32 | SER | H | H | 8.029 | 0.011 | 1 |
312 | 1 | 32 | SER | HA | H | 5.893 | 0.013 | 1 |
313 | 1 | 32 | SER | HB2 | H | 3.409 | 0.003 | 1 |
314 | 1 | 32 | SER | HB3 | H | 3.409 | 0.003 | 1 |
315 | 1 | 32 | SER | CA | C | 56.550 | 0.049 | 1 |
316 | 1 | 32 | SER | CB | C | 66.266 | 0.052 | 1 |
317 | 1 | 32 | SER | N | N | 113.237 | 0.049 | 1 |
318 | 1 | 33 | TYR | H | H | 8.526 | 0.005 | 1 |
319 | 1 | 33 | TYR | HA | H | 5.475 | 0.003 | 1 |
320 | 1 | 33 | TYR | HB2 | H | 2.780 | 0.007 | 2 |
321 | 1 | 33 | TYR | HB3 | H | 2.520 | 0.01 | 2 |
322 | 1 | 33 | TYR | HD1 | H | 6.989 | 0.007 | 1 |
323 | 1 | 33 | TYR | HD2 | H | 6.989 | 0.007 | 1 |
324 | 1 | 33 | TYR | HE1 | H | 6.616 | 0.005 | 1 |
325 | 1 | 33 | TYR | HE2 | H | 6.616 | 0.005 | 1 |
326 | 1 | 33 | TYR | CA | C | 56.477 | 0.052 | 1 |
327 | 1 | 33 | TYR | CB | C | 44.558 | 0.035 | 1 |
328 | 1 | 33 | TYR | CD1 | C | 133.299 | 0.049 | 1 |
329 | 1 | 33 | TYR | CD2 | C | 133.299 | 0.049 | 1 |
330 | 1 | 33 | TYR | CE1 | C | 117.730 | 0.062 | 1 |
331 | 1 | 33 | TYR | CE2 | C | 117.730 | 0.062 | 1 |
332 | 1 | 33 | TYR | N | N | 118.397 | 0.035 | 1 |
333 | 1 | 34 | HIS | H | H | 9.124 | 0.008 | 1 |
334 | 1 | 34 | HIS | HA | H | 5.060 | 0.004 | 1 |
335 | 1 | 34 | HIS | HB2 | H | 1.343 | 0.006 | 2 |
336 | 1 | 34 | HIS | HB3 | H | 3.075 | 0.002 | 2 |
337 | 1 | 34 | HIS | HD2 | H | 6.697 | 0.007 | 1 |
338 | 1 | 34 | HIS | HE1 | H | 7.511 | 0.007 | 1 |
339 | 1 | 34 | HIS | CA | C | 57.896 | 0.053 | 1 |
340 | 1 | 34 | HIS | CB | C | 30.643 | 0.066 | 1 |
341 | 1 | 34 | HIS | CD2 | C | 118.106 | 0.027 | 1 |
342 | 1 | 34 | HIS | CE1 | C | 138.969 | 0.028 | 1 |
343 | 1 | 34 | HIS | N | N | 121.296 | 0.049 | 1 |
344 | 1 | 35 | THR | H | H | 8.885 | 0.011 | 1 |
345 | 1 | 35 | THR | HA | H | 3.623 | 0.006 | 1 |
346 | 1 | 35 | THR | HB | H | 4.412 | 0.007 | 1 |
347 | 1 | 35 | THR | HG21 | H | 1.137 | 0.009 | 1 |
348 | 1 | 35 | THR | HG22 | H | 1.137 | 0.009 | 1 |
349 | 1 | 35 | THR | HG23 | H | 1.137 | 0.009 | 1 |
350 | 1 | 35 | THR | CA | C | 65.007 | 0.021 | 1 |
351 | 1 | 35 | THR | CB | C | 66.123 | 0.037 | 1 |
352 | 1 | 35 | THR | CG2 | C | 23.776 | 0.02 | 1 |
353 | 1 | 35 | THR | N | N | 113.413 | 0.032 | 1 |
354 | 1 | 36 | PHE | H | H | 6.513 | 0.005 | 1 |
355 | 1 | 36 | PHE | HA | H | 4.730 | 0.005 | 1 |
356 | 1 | 36 | PHE | HB2 | H | 2.981 | 0.003 | 2 |
357 | 1 | 36 | PHE | HB3 | H | 3.579 | 0.004 | 2 |
358 | 1 | 36 | PHE | HD1 | H | 7.254 | 0.006 | 1 |
359 | 1 | 36 | PHE | HD2 | H | 7.254 | 0.006 | 1 |
360 | 1 | 36 | PHE | HE1 | H | 7.017 | 0.007 | 1 |
361 | 1 | 36 | PHE | HE2 | H | 7.017 | 0.007 | 1 |
362 | 1 | 36 | PHE | HZ | H | 6.370 | 0.007 | 1 |
363 | 1 | 36 | PHE | CA | C | 56.219 | 0.051 | 1 |
364 | 1 | 36 | PHE | CB | C | 37.462 | 0.028 | 1 |
365 | 1 | 36 | PHE | CD1 | C | 132.847 | 0.042 | 1 |
366 | 1 | 36 | PHE | CD2 | C | 132.847 | 0.042 | 1 |
367 | 1 | 36 | PHE | CE1 | C | 131.910 | 0.067 | 1 |
368 | 1 | 36 | PHE | CE2 | C | 131.910 | 0.067 | 1 |
369 | 1 | 36 | PHE | CZ | C | 129.939 | 0.068 | 1 |
370 | 1 | 36 | PHE | N | N | 111.308 | 0.027 | 1 |
371 | 1 | 37 | CYS | H | H | 7.525 | 0.01 | 1 |
372 | 1 | 37 | CYS | HA | H | 4.400 | 0.003 | 1 |
373 | 1 | 37 | CYS | HB2 | H | 2.913 | 0.007 | 2 |
374 | 1 | 37 | CYS | HB3 | H | 3.464 | 0.003 | 2 |
375 | 1 | 37 | CYS | CA | C | 61.629 | 0.061 | 1 |
376 | 1 | 37 | CYS | CB | C | 31.519 | 0.068 | 1 |
377 | 1 | 37 | CYS | N | N | 123.557 | 0.045 | 1 |
378 | 1 | 38 | LEU | H | H | 6.500 | 0.009 | 1 |
379 | 1 | 38 | LEU | HA | H | 4.105 | 0.003 | 1 |
380 | 1 | 38 | LEU | HB2 | H | 1.455 | 0.004 | 2 |
381 | 1 | 38 | LEU | HB3 | H | 1.758 | 0.008 | 2 |
382 | 1 | 38 | LEU | HG | H | 1.833 | 0.01 | 1 |
383 | 1 | 38 | LEU | HD11 | H | 0.707 | 0.004 | 2 |
384 | 1 | 38 | LEU | HD12 | H | 0.707 | 0.004 | 2 |
385 | 1 | 38 | LEU | HD13 | H | 0.707 | 0.004 | 2 |
386 | 1 | 38 | LEU | HD21 | H | 0.881 | 0.008 | 2 |
387 | 1 | 38 | LEU | HD22 | H | 0.881 | 0.008 | 2 |
388 | 1 | 38 | LEU | HD23 | H | 0.881 | 0.008 | 2 |
389 | 1 | 38 | LEU | CA | C | 55.048 | 0.029 | 1 |
390 | 1 | 38 | LEU | CB | C | 44.212 | 0.031 | 1 |
391 | 1 | 38 | LEU | CG | C | 27.016 | 0.025 | 1 |
392 | 1 | 38 | LEU | CD1 | C | 23.156 | 0.074 | 2 |
393 | 1 | 38 | LEU | CD2 | C | 27.007 | 0.043 | 2 |
394 | 1 | 38 | LEU | N | N | 119.781 | 0.03 | 1 |
395 | 1 | 39 | ILE | H | H | 8.129 | 0.005 | 1 |
396 | 1 | 39 | ILE | HA | H | 4.253 | 0.003 | 1 |
397 | 1 | 39 | ILE | HB | H | 1.731 | 0.005 | 1 |
398 | 1 | 39 | ILE | HG12 | H | 0.874 | 0.004 | 2 |
399 | 1 | 39 | ILE | HG13 | H | 1.388 | 0.002 | 2 |
400 | 1 | 39 | ILE | HG21 | H | 0.819 | 0.003 | 1 |
401 | 1 | 39 | ILE | HG22 | H | 0.819 | 0.003 | 1 |
402 | 1 | 39 | ILE | HG23 | H | 0.819 | 0.003 | 1 |
403 | 1 | 39 | ILE | HD11 | H | 0.781 | 0.004 | 1 |
404 | 1 | 39 | ILE | HD12 | H | 0.781 | 0.004 | 1 |
405 | 1 | 39 | ILE | HD13 | H | 0.781 | 0.004 | 1 |
406 | 1 | 39 | ILE | CA | C | 57.824 | 0.006 | 1 |
407 | 1 | 39 | ILE | CB | C | 40.006 | 0.02 | 1 |
408 | 1 | 39 | ILE | CG1 | C | 26.913 | 0.031 | 1 |
409 | 1 | 39 | ILE | CG2 | C | 17.191 | 0.023 | 1 |
410 | 1 | 39 | ILE | CD1 | C | 13.337 | 0.015 | 1 |
411 | 1 | 39 | ILE | N | N | 118.612 | 0.019 | 1 |
412 | 1 | 40 | PRO | HA | H | 5.041 | 0.005 | 1 |
413 | 1 | 40 | PRO | HB2 | H | 2.073 | 0.008 | 2 |
414 | 1 | 40 | PRO | HB3 | H | 2.459 | 0.002 | 2 |
415 | 1 | 40 | PRO | HG2 | H | 1.919 | 0.013 | 2 |
416 | 1 | 40 | PRO | HG3 | H | 1.962 | 0.011 | 2 |
417 | 1 | 40 | PRO | HD2 | H | 3.523 | 0.003 | 2 |
418 | 1 | 40 | PRO | HD3 | H | 3.685 | 0.009 | 2 |
419 | 1 | 40 | PRO | CA | C | 62.193 | 0.007 | 1 |
420 | 1 | 40 | PRO | CB | C | 33.072 | 0.06 | 1 |
421 | 1 | 40 | PRO | CG | C | 24.843 | 0.014 | 1 |
422 | 1 | 40 | PRO | CD | C | 49.986 | 0.027 | 1 |
423 | 1 | 41 | PRO | HA | H | 4.363 | 0.003 | 1 |
424 | 1 | 41 | PRO | HB2 | H | 2.012 | 0.004 | 2 |
425 | 1 | 41 | PRO | HB3 | H | 2.267 | 0.004 | 2 |
426 | 1 | 41 | PRO | HG2 | H | 2.084 | 0.004 | 1 |
427 | 1 | 41 | PRO | HG3 | H | 2.084 | 0.004 | 1 |
428 | 1 | 41 | PRO | HD2 | H | 3.861 | 0.009 | 2 |
429 | 1 | 41 | PRO | HD3 | H | 3.914 | 0.013 | 2 |
430 | 1 | 41 | PRO | CA | C | 63.940 | 0.035 | 1 |
431 | 1 | 41 | PRO | CB | C | 32.000 | 0.052 | 1 |
432 | 1 | 41 | PRO | CG | C | 26.956 | 0.038 | 1 |
433 | 1 | 41 | PRO | CD | C | 50.661 | 0.074 | 1 |
434 | 1 | 42 | LEU | H | H | 7.250 | 0.011 | 1 |
435 | 1 | 42 | LEU | HA | H | 4.825 | 0.005 | 1 |
436 | 1 | 42 | LEU | HB2 | H | 1.631 | 0.004 | 2 |
437 | 1 | 42 | LEU | HB3 | H | 1.400 | 0.006 | 2 |
438 | 1 | 42 | LEU | HG | H | 1.812 | 0.011 | 1 |
439 | 1 | 42 | LEU | HD11 | H | 0.797 | 0.008 | 2 |
440 | 1 | 42 | LEU | HD12 | H | 0.797 | 0.008 | 2 |
441 | 1 | 42 | LEU | HD13 | H | 0.797 | 0.008 | 2 |
442 | 1 | 42 | LEU | HD21 | H | 0.940 | 0.004 | 2 |
443 | 1 | 42 | LEU | HD22 | H | 0.940 | 0.004 | 2 |
444 | 1 | 42 | LEU | HD23 | H | 0.940 | 0.004 | 2 |
445 | 1 | 42 | LEU | CA | C | 51.798 | 0.024 | 1 |
446 | 1 | 42 | LEU | CB | C | 43.060 | 0.068 | 1 |
447 | 1 | 42 | LEU | CG | C | 27.132 | 0.039 | 1 |
448 | 1 | 42 | LEU | CD1 | C | 25.828 | 0.035 | 2 |
449 | 1 | 42 | LEU | CD2 | C | 23.027 | 0.007 | 2 |
450 | 1 | 42 | LEU | N | N | 114.667 | 0.039 | 1 |
451 | 1 | 43 | PRO | HA | H | 4.445 | 0.008 | 1 |
452 | 1 | 43 | PRO | HB2 | H | 1.898 | 0.008 | 2 |
453 | 1 | 43 | PRO | HB3 | H | 2.257 | 0.007 | 2 |
454 | 1 | 43 | PRO | HG2 | H | 2.138 | 0.003 | 2 |
455 | 1 | 43 | PRO | HG3 | H | 2.005 | 0.005 | 2 |
456 | 1 | 43 | PRO | HD2 | H | 3.693 | 0.008 | 2 |
457 | 1 | 43 | PRO | HD3 | H | 3.692 | 0.007 | 2 |
458 | 1 | 43 | PRO | CA | C | 62.836 | 0.024 | 1 |
459 | 1 | 43 | PRO | CB | C | 32.127 | 0.07 | 1 |
460 | 1 | 43 | PRO | CG | C | 27.347 | 0.045 | 1 |
461 | 1 | 43 | PRO | CD | C | 49.938 | 0.042 | 1 |
462 | 1 | 44 | ASP | H | H | 7.660 | 0.009 | 1 |
463 | 1 | 44 | ASP | HA | H | 4.728 | 0.004 | 1 |
464 | 1 | 44 | ASP | HB2 | H | 2.545 | 0.005 | 2 |
465 | 1 | 44 | ASP | HB3 | H | 2.546 | 0.002 | 2 |
466 | 1 | 44 | ASP | CA | C | 51.837 | 0.074 | 1 |
467 | 1 | 44 | ASP | CB | C | 43.421 | 0.034 | 1 |
468 | 1 | 44 | ASP | N | N | 121.642 | 0.029 | 1 |
469 | 1 | 45 | VAL | H | H | 8.768 | 0.011 | 1 |
470 | 1 | 45 | VAL | HA | H | 3.892 | 0.007 | 1 |
471 | 1 | 45 | VAL | HB | H | 1.988 | 0.005 | 1 |
472 | 1 | 45 | VAL | HG11 | H | 0.926 | 0.008 | 2 |
473 | 1 | 45 | VAL | HG12 | H | 0.926 | 0.008 | 2 |
474 | 1 | 45 | VAL | HG13 | H | 0.926 | 0.008 | 2 |
475 | 1 | 45 | VAL | HG21 | H | 0.994 | 0.007 | 2 |
476 | 1 | 45 | VAL | HG22 | H | 0.994 | 0.007 | 2 |
477 | 1 | 45 | VAL | HG23 | H | 0.994 | 0.007 | 2 |
478 | 1 | 45 | VAL | CA | C | 60.726 | 0.051 | 1 |
479 | 1 | 45 | VAL | CB | C | 32.395 | 0.027 | 1 |
480 | 1 | 45 | VAL | CG1 | C | 20.677 | 0.011 | 2 |
481 | 1 | 45 | VAL | CG2 | C | 21.612 | 0.023 | 2 |
482 | 1 | 45 | VAL | N | N | 121.970 | 0.032 | 1 |
483 | 1 | 46 | PRO | HA | H | 4.461 | 0.005 | 1 |
484 | 1 | 46 | PRO | HB2 | H | 1.989 | 0.005 | 2 |
485 | 1 | 46 | PRO | HB3 | H | 2.356 | 0.006 | 2 |
486 | 1 | 46 | PRO | HG2 | H | 1.854 | 0.006 | 2 |
487 | 1 | 46 | PRO | HG3 | H | 1.918 | 0.007 | 2 |
488 | 1 | 46 | PRO | HD2 | H | 3.462 | 0.01 | 2 |
489 | 1 | 46 | PRO | HD3 | H | 3.748 | 0.006 | 2 |
490 | 1 | 46 | PRO | CA | C | 62.840 | 0.042 | 1 |
491 | 1 | 46 | PRO | CB | C | 32.255 | 0.063 | 1 |
492 | 1 | 46 | PRO | CG | C | 27.089 | 0.056 | 1 |
493 | 1 | 46 | PRO | CD | C | 51.378 | 0.016 | 1 |
494 | 1 | 47 | LYS | H | H | 8.530 | 0.005 | 1 |
495 | 1 | 47 | LYS | HA | H | 4.359 | 0.002 | 1 |
496 | 1 | 47 | LYS | HB2 | H | 1.772 | 0.004 | 2 |
497 | 1 | 47 | LYS | HB3 | H | 1.880 | 0.005 | 2 |
498 | 1 | 47 | LYS | HG2 | H | 1.473 | 0.004 | 2 |
499 | 1 | 47 | LYS | HG3 | H | 1.552 | 0.007 | 2 |
500 | 1 | 47 | LYS | HD2 | H | 1.702 | 0.006 | 1 |
501 | 1 | 47 | LYS | HD3 | H | 1.702 | 0.006 | 1 |
502 | 1 | 47 | LYS | HE2 | H | 3.038 | 0.008 | 2 |
503 | 1 | 47 | LYS | HE3 | H | 3.038 | 0.009 | 2 |
504 | 1 | 47 | LYS | CA | C | 56.044 | 0.019 | 1 |
505 | 1 | 47 | LYS | CB | C | 32.748 | 0.046 | 1 |
506 | 1 | 47 | LYS | CG | C | 25.043 | 0.062 | 1 |
507 | 1 | 47 | LYS | CD | C | 28.777 | 0.055 | 1 |
508 | 1 | 47 | LYS | CE | C | 42.313 | 0.055 | 1 |
509 | 1 | 47 | LYS | N | N | 121.227 | 0.026 | 1 |
510 | 1 | 48 | GLY | H | H | 8.155 | 0.007 | 1 |
511 | 1 | 48 | GLY | HA2 | H | 4.001 | 0.009 | 2 |
512 | 1 | 48 | GLY | HA3 | H | 4.053 | 0.008 | 2 |
513 | 1 | 48 | GLY | CA | C | 44.633 | 0.073 | 1 |
514 | 1 | 48 | GLY | N | N | 109.848 | 0.007 | 1 |
515 | 1 | 49 | ASP | H | H | 8.301 | 0.007 | 1 |
516 | 1 | 49 | ASP | HA | H | 4.671 | 0.007 | 1 |
517 | 1 | 49 | ASP | HB2 | H | 2.561 | 0.005 | 2 |
518 | 1 | 49 | ASP | HB3 | H | 2.644 | 0.003 | 2 |
519 | 1 | 49 | ASP | CA | C | 54.713 | 0.063 | 1 |
520 | 1 | 49 | ASP | CB | C | 41.445 | 0.068 | 1 |
521 | 1 | 49 | ASP | N | N | 121.467 | 0.035 | 1 |
522 | 1 | 50 | TRP | H | H | 9.249 | 0.014 | 1 |
523 | 1 | 50 | TRP | HA | H | 4.462 | 0.008 | 1 |
524 | 1 | 50 | TRP | HB2 | H | 3.054 | 0.009 | 2 |
525 | 1 | 50 | TRP | HB3 | H | 3.226 | 0.008 | 2 |
526 | 1 | 50 | TRP | HE1 | H | 12.022 | 0.011 | 1 |
527 | 1 | 50 | TRP | HE3 | H | 7.264 | 0.006 | 1 |
528 | 1 | 50 | TRP | HZ2 | H | 7.190 | 0.005 | 1 |
529 | 1 | 50 | TRP | HZ3 | H | 6.802 | 0.005 | 1 |
530 | 1 | 50 | TRP | HH2 | H | 6.711 | 0.006 | 1 |
531 | 1 | 50 | TRP | CA | C | 59.946 | 0.027 | 1 |
532 | 1 | 50 | TRP | CB | C | 30.322 | 0.072 | 1 |
533 | 1 | 50 | TRP | CD1 | C | 125.920 | 1 | |
534 | 1 | 50 | TRP | CE3 | C | 121.271 | 0.072 | 1 |
535 | 1 | 50 | TRP | CZ2 | C | 114.886 | 0.026 | 1 |
536 | 1 | 50 | TRP | CZ3 | C | 120.129 | 0.038 | 1 |
537 | 1 | 50 | TRP | CH2 | C | 122.265 | 0.047 | 1 |
538 | 1 | 50 | TRP | N | N | 125.718 | 0.016 | 1 |
539 | 1 | 50 | TRP | NE1 | N | 141.38 | 0.057 | 1 |
540 | 1 | 51 | ARG | H | H | 6.551 | 0.012 | 1 |
541 | 1 | 51 | ARG | HA | H | 4.981 | 0.013 | 1 |
542 | 1 | 51 | ARG | HB2 | H | 1.227 | 0.006 | 2 |
543 | 1 | 51 | ARG | HB3 | H | 1.227 | 0.006 | 2 |
544 | 1 | 51 | ARG | HG2 | H | 1.363 | 0.005 | 2 |
545 | 1 | 51 | ARG | HG3 | H | 1.555 | 0.004 | 2 |
546 | 1 | 51 | ARG | HD2 | H | 3.003 | 0.007 | 2 |
547 | 1 | 51 | ARG | HD3 | H | 3.003 | 0.007 | 2 |
548 | 1 | 51 | ARG | CA | C | 52.706 | 0.078 | 1 |
549 | 1 | 51 | ARG | CB | C | 33.803 | 0.068 | 1 |
550 | 1 | 51 | ARG | CG | C | 27.825 | 0.074 | 1 |
551 | 1 | 51 | ARG | CD | C | 43.277 | 0.05 | 1 |
552 | 1 | 51 | ARG | N | N | 124.312 | 0.036 | 1 |
553 | 1 | 52 | CYS | H | H | 9.208 | 0.013 | 1 |
554 | 1 | 52 | CYS | HA | H | 3.749 | 0.004 | 1 |
555 | 1 | 52 | CYS | HB2 | H | 2.494 | 0.007 | 2 |
556 | 1 | 52 | CYS | HB3 | H | 3.215 | 0.007 | 2 |
557 | 1 | 52 | CYS | CA | C | 57.155 | 0.066 | 1 |
558 | 1 | 52 | CYS | CB | C | 29.549 | 0.067 | 1 |
559 | 1 | 52 | CYS | N | N | 126.476 | 0.046 | 1 |
560 | 1 | 53 | PRO | HA | H | 4.095 | 0.003 | 1 |
561 | 1 | 53 | PRO | HB2 | H | 1.866 | 0.014 | 2 |
562 | 1 | 53 | PRO | HB3 | H | 2.399 | 0.005 | 2 |
563 | 1 | 53 | PRO | HG2 | H | 1.979 | 0.008 | 2 |
564 | 1 | 53 | PRO | HG3 | H | 1.980 | 0.008 | 2 |
565 | 1 | 53 | PRO | HD2 | H | 3.134 | 0.011 | 2 |
566 | 1 | 53 | PRO | HD3 | H | 3.376 | 0.007 | 2 |
567 | 1 | 53 | PRO | CA | C | 65.384 | 0.067 | 1 |
568 | 1 | 53 | PRO | CB | C | 32.214 | 0.058 | 1 |
569 | 1 | 53 | PRO | CG | C | 28.084 | 0.047 | 1 |
570 | 1 | 53 | PRO | CD | C | 49.925 | 0.047 | 1 |
571 | 1 | 54 | LYS | H | H | 8.076 | 0.012 | 1 |
572 | 1 | 54 | LYS | HA | H | 4.164 | 0.004 | 1 |
573 | 1 | 54 | LYS | HB2 | H | 1.943 | 0.004 | 2 |
574 | 1 | 54 | LYS | HB3 | H | 1.943 | 0.004 | 2 |
575 | 1 | 54 | LYS | HG2 | H | 1.391 | 0.007 | 2 |
576 | 1 | 54 | LYS | HG3 | H | 1.579 | 0.006 | 2 |
577 | 1 | 54 | LYS | HD2 | H | 1.761 | 0.015 | 2 |
578 | 1 | 54 | LYS | HD3 | H | 1.786 | 0.014 | 2 |
579 | 1 | 54 | LYS | HE2 | H | 3.061 | 0.011 | 2 |
580 | 1 | 54 | LYS | HE3 | H | 3.077 | 0.01 | 2 |
581 | 1 | 54 | LYS | CA | C | 59.045 | 0.015 | 1 |
582 | 1 | 54 | LYS | CB | C | 32.903 | 0.021 | 1 |
583 | 1 | 54 | LYS | CG | C | 25.007 | 0.07 | 1 |
584 | 1 | 54 | LYS | CD | C | 29.131 | 0.067 | 1 |
585 | 1 | 54 | LYS | CE | C | 42.101 | 0.045 | 1 |
586 | 1 | 54 | LYS | N | N | 118.795 | 0.046 | 1 |
587 | 1 | 55 | CYS | H | H | 8.166 | 0.009 | 1 |
588 | 1 | 55 | CYS | HA | H | 3.950 | 0.002 | 1 |
589 | 1 | 55 | CYS | HB2 | H | 2.725 | 0.008 | 2 |
590 | 1 | 55 | CYS | HB3 | H | 2.838 | 0.006 | 2 |
591 | 1 | 55 | CYS | CA | C | 64.215 | 0.042 | 1 |
592 | 1 | 55 | CYS | CB | C | 29.361 | 0.054 | 1 |
593 | 1 | 55 | CYS | N | N | 122.838 | 0.025 | 1 |
594 | 1 | 56 | VAL | H | H | 7.972 | 0.009 | 1 |
595 | 1 | 56 | VAL | HA | H | 3.736 | 0.007 | 1 |
596 | 1 | 56 | VAL | HB | H | 1.904 | 0.005 | 1 |
597 | 1 | 56 | VAL | HG11 | H | 0.776 | 0.003 | 2 |
598 | 1 | 56 | VAL | HG12 | H | 0.776 | 0.003 | 2 |
599 | 1 | 56 | VAL | HG13 | H | 0.776 | 0.003 | 2 |
600 | 1 | 56 | VAL | HG21 | H | 0.776 | 0.003 | 2 |
601 | 1 | 56 | VAL | HG22 | H | 0.776 | 0.003 | 2 |
602 | 1 | 56 | VAL | HG23 | H | 0.776 | 0.003 | 2 |
603 | 1 | 56 | VAL | CA | C | 64.032 | 0.053 | 1 |
604 | 1 | 56 | VAL | CB | C | 31.881 | 0.065 | 1 |
605 | 1 | 56 | VAL | CG1 | C | 21.441 | 0.063 | 2 |
606 | 1 | 56 | VAL | CG2 | C | 21.416 | 0.056 | 2 |
607 | 1 | 56 | VAL | N | N | 118.379 | 0.047 | 1 |
608 | 1 | 57 | ALA | H | H | 7.521 | 0.013 | 1 |
609 | 1 | 57 | ALA | HA | H | 4.257 | 0.003 | 1 |
610 | 1 | 57 | ALA | HB1 | H | 1.431 | 0.005 | 1 |
611 | 1 | 57 | ALA | HB2 | H | 1.431 | 0.005 | 1 |
612 | 1 | 57 | ALA | HB3 | H | 1.431 | 0.005 | 1 |
613 | 1 | 57 | ALA | CA | C | 52.879 | 0.032 | 1 |
614 | 1 | 57 | ALA | CB | C | 19.089 | 0.019 | 1 |
615 | 1 | 57 | ALA | N | N | 123.303 | 0.057 | 1 |
616 | 1 | 58 | GLU | H | H | 7.852 | 0.014 | 1 |
617 | 1 | 58 | GLU | HA | H | 4.258 | 0.004 | 1 |
618 | 1 | 58 | GLU | HB2 | H | 1.936 | 0.003 | 2 |
619 | 1 | 58 | GLU | HB3 | H | 2.105 | 0.003 | 2 |
620 | 1 | 58 | GLU | HG2 | H | 2.253 | 0.005 | 2 |
621 | 1 | 58 | GLU | HG3 | H | 2.350 | 0.004 | 2 |
622 | 1 | 58 | GLU | CA | C | 56.438 | 0.066 | 1 |
623 | 1 | 58 | GLU | CB | C | 30.397 | 0.046 | 1 |
624 | 1 | 58 | GLU | CG | C | 36.372 | 0.059 | 1 |
625 | 1 | 58 | GLU | N | N | 119.214 | 0.055 | 1 |
626 | 1 | 59 | GLU | H | H | 7.800 | 0.012 | 1 |
627 | 1 | 59 | GLU | HA | H | 4.066 | 0.002 | 1 |
628 | 1 | 59 | GLU | HB2 | H | 1.912 | 0.008 | 2 |
629 | 1 | 59 | GLU | HB3 | H | 2.021 | 0.002 | 2 |
630 | 1 | 59 | GLU | HG2 | H | 2.229 | 0.005 | 1 |
631 | 1 | 59 | GLU | HG3 | H | 2.229 | 0.005 | 1 |
632 | 1 | 59 | GLU | CA | C | 58.349 | 0.075 | 1 |
633 | 1 | 59 | GLU | CB | C | 31.127 | 0.052 | 1 |
634 | 1 | 59 | GLU | CG | C | 36.779 | 0.058 | 1 |
635 | 1 | 59 | GLU | N | N | 126.630 | 0.04 | 1 |