Lanthanide Binding Tag complex LBT3-NH2:La3+
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 1 | PHE | HD1 | H | 7.3390 | 0.0000 | 3 |
2 | 1 | 1 | PHE | HD2 | H | 7.3406 | 0.0000 | 3 |
3 | 1 | 1 | PHE | HE1 | H | 7.3985 | 0.0000 | 3 |
4 | 1 | 1 | PHE | HE2 | H | 7.3976 | 0.0000 | 3 |
5 | 1 | 1 | PHE | HZ | H | 7.3677 | 0.0000 | 1 |
6 | 1 | 1 | PHE | CD1 | C | 129.6661 | 0.0000 | 3 |
7 | 1 | 1 | PHE | CD2 | C | 129.3643 | 0.0000 | 3 |
8 | 1 | 1 | PHE | CE1 | C | 129.6180 | 0.0000 | 3 |
9 | 1 | 1 | PHE | CE2 | C | 129.0984 | 0.0000 | 3 |
10 | 1 | 1 | PHE | CZ | C | 128.2026 | 0.0000 | 1 |
11 | 1 | 2 | ILE | H | H | 8.8040 | 0.0008 | 1 |
12 | 1 | 2 | ILE | HA | H | 4.2878 | 0.0046 | 1 |
13 | 1 | 2 | ILE | HB | H | 1.7832 | 0.0034 | 1 |
14 | 1 | 2 | ILE | HG13 | H | 1.1088 | 0.0000 | 2 |
15 | 1 | 2 | ILE | CA | C | 57.5769 | 0.0000 | 1 |
16 | 1 | 2 | ILE | CB | C | 37.8127 | 0.0000 | 1 |
17 | 1 | 3 | ASP | H | H | 8.6565 | 0.0026 | 1 |
18 | 1 | 3 | ASP | HA | H | 4.6976 | 0.0029 | 1 |
19 | 1 | 3 | ASP | HB2 | H | 2.5240 | 0.0034 | 2 |
20 | 1 | 3 | ASP | HB3 | H | 2.7980 | 0.0024 | 2 |
21 | 1 | 3 | ASP | CA | C | 50.1867 | 0.0000 | 1 |
22 | 1 | 3 | ASP | CB | C | 37.5379 | 0.0935 | 1 |
23 | 1 | 3 | ASP | N | N | 124.6212 | 0.0000 | 1 |
24 | 1 | 4 | THR | H | H | 8.3341 | 0.0018 | 1 |
25 | 1 | 4 | THR | HA | H | 4.2178 | 0.0035 | 1 |
26 | 1 | 4 | THR | HB | H | 4.3828 | 0.0034 | 1 |
27 | 1 | 4 | THR | HG21 | H | 1.2778 | 0.0005 | 1 |
28 | 1 | 4 | THR | HG22 | H | 1.2778 | 0.0005 | 1 |
29 | 1 | 4 | THR | HG23 | H | 1.2778 | 0.0005 | 1 |
30 | 1 | 4 | THR | CA | C | 60.8638 | 0.0000 | 1 |
31 | 1 | 4 | THR | CB | C | 66.8254 | 0.0000 | 1 |
32 | 1 | 4 | THR | N | N | 118.8709 | 0.0000 | 1 |
33 | 1 | 5 | ASN | H | H | 8.0283 | 0.0046 | 1 |
34 | 1 | 5 | ASN | HA | H | 4.9463 | 0.0052 | 1 |
35 | 1 | 5 | ASN | HB2 | H | 2.8502 | 0.0053 | 2 |
36 | 1 | 5 | ASN | HB3 | H | 3.2229 | 0.0053 | 2 |
37 | 1 | 5 | ASN | HD21 | H | 7.0252 | 0.0023 | 2 |
38 | 1 | 5 | ASN | HD22 | H | 8.3172 | 0.0021 | 2 |
39 | 1 | 5 | ASN | CA | C | 49.3790 | 0.0000 | 1 |
40 | 1 | 5 | ASN | CB | C | 34.6352 | 0.0000 | 1 |
41 | 1 | 5 | ASN | ND2 | N | 117.3265 | 0.0033 | 1 |
42 | 1 | 6 | ASN | H | H | 8.0410 | 0.0021 | 1 |
43 | 1 | 6 | ASN | HA | H | 4.3510 | 0.0045 | 1 |
44 | 1 | 6 | ASN | HB2 | H | 2.5615 | 0.0047 | 2 |
45 | 1 | 6 | ASN | HB3 | H | 2.9988 | 0.0049 | 2 |
46 | 1 | 6 | ASN | HD21 | H | 6.7765 | 0.0023 | 2 |
47 | 1 | 6 | ASN | HD22 | H | 7.5770 | 0.0023 | 2 |
48 | 1 | 6 | ASN | CA | C | 54.5665 | 0.0000 | 1 |
49 | 1 | 6 | ASN | CB | C | 35.1357 | 0.0000 | 1 |
50 | 1 | 6 | ASN | N | N | 116.1381 | 0.0000 | 1 |
51 | 1 | 6 | ASN | ND2 | N | 112.6753 | 0.0074 | 1 |
52 | 1 | 7 | ASP | H | H | 8.1060 | 0.0017 | 1 |
53 | 1 | 7 | ASP | HA | H | 4.7164 | 0.0041 | 1 |
54 | 1 | 7 | ASP | HB2 | H | 2.5510 | 0.0046 | 2 |
55 | 1 | 7 | ASP | HB3 | H | 3.0292 | 0.0045 | 2 |
56 | 1 | 7 | ASP | CA | C | 50.5709 | 0.0000 | 1 |
57 | 1 | 7 | ASP | CB | C | 38.5584 | 0.0095 | 1 |
58 | 1 | 7 | ASP | N | N | 115.9048 | 0.0000 | 1 |
59 | 1 | 8 | GLY | H | H | 8.9931 | 0.0012 | 1 |
60 | 1 | 8 | GLY | HA2 | H | 3.5293 | 0.0042 | 2 |
61 | 1 | 8 | GLY | HA3 | H | 3.9520 | 0.0050 | 2 |
62 | 1 | 8 | GLY | CA | C | 42.6099 | 0.0094 | 1 |
63 | 1 | 9 | TRP | H | H | 8.3889 | 0.0010 | 1 |
64 | 1 | 9 | TRP | HA | H | 5.0412 | 0.0034 | 1 |
65 | 1 | 9 | TRP | HB2 | H | 3.0747 | 0.0029 | 2 |
66 | 1 | 9 | TRP | HB3 | H | 3.1984 | 0.0056 | 2 |
67 | 1 | 9 | TRP | HD1 | H | 7.1133 | 0.0026 | 1 |
68 | 1 | 9 | TRP | HE1 | H | 10.0055 | 0.0049 | 1 |
69 | 1 | 9 | TRP | HE3 | H | 7.6474 | 0.0043 | 1 |
70 | 1 | 9 | TRP | HZ2 | H | 7.4773 | 0.0027 | 1 |
71 | 1 | 9 | TRP | HZ3 | H | 7.1497 | 0.0043 | 1 |
72 | 1 | 9 | TRP | HH2 | H | 7.2271 | 0.0032 | 1 |
73 | 1 | 9 | TRP | CA | C | 52.6938 | 0.0000 | 1 |
74 | 1 | 9 | TRP | CB | C | 29.6773 | 0.0080 | 1 |
75 | 1 | 9 | TRP | CD1 | C | 125.1758 | 0.0000 | 1 |
76 | 1 | 9 | TRP | CE3 | C | 118.3814 | 0.0000 | 1 |
77 | 1 | 9 | TRP | CZ2 | C | 111.7406 | 0.0000 | 1 |
78 | 1 | 9 | TRP | CZ3 | C | 119.1950 | 0.0000 | 1 |
79 | 1 | 9 | TRP | CH2 | C | 121.7413 | 0.0000 | 1 |
80 | 1 | 9 | TRP | NE1 | N | 128.8981 | 0.0000 | 1 |
81 | 1 | 10 | ILE | H | H | 9.0070 | 0.0041 | 1 |
82 | 1 | 10 | ILE | HA | H | 4.8980 | 0.0029 | 1 |
83 | 1 | 10 | ILE | HB | H | 1.8408 | 0.0012 | 1 |
84 | 1 | 10 | ILE | HG12 | H | 1.2406 | 0.0001 | 2 |
85 | 1 | 10 | ILE | HG13 | H | 1.3298 | 0.0016 | 2 |
86 | 1 | 10 | ILE | HG21 | H | 0.6399 | 0.0013 | 1 |
87 | 1 | 10 | ILE | HG22 | H | 0.6399 | 0.0013 | 1 |
88 | 1 | 10 | ILE | HG23 | H | 0.6399 | 0.0013 | 1 |
89 | 1 | 10 | ILE | HD11 | H | 0.5521 | 0.0006 | 1 |
90 | 1 | 10 | ILE | HD12 | H | 0.5521 | 0.0006 | 1 |
91 | 1 | 10 | ILE | HD13 | H | 0.5521 | 0.0006 | 1 |
92 | 1 | 11 | GLU | H | H | 8.7767 | 0.0019 | 1 |
93 | 1 | 11 | GLU | HA | H | 4.6541 | 0.0031 | 1 |
94 | 1 | 11 | GLU | HB2 | H | 1.9453 | 0.0001 | 2 |
95 | 1 | 11 | GLU | HB3 | H | 2.0056 | 0.0006 | 2 |
96 | 1 | 11 | GLU | HG2 | H | 2.2483 | 0.0012 | 2 |
97 | 1 | 11 | GLU | HG3 | H | 2.3428 | 0.0079 | 2 |
98 | 1 | 11 | GLU | CA | C | 52.3485 | 0.0000 | 1 |
99 | 1 | 11 | GLU | N | N | 126.4664 | 0.0000 | 1 |
100 | 1 | 12 | GLY | H | H | 8.7773 | 0.0019 | 1 |
101 | 1 | 12 | GLY | HA2 | H | 3.7240 | 0.0064 | 2 |
102 | 1 | 12 | GLY | HA3 | H | 3.9585 | 0.0032 | 2 |
103 | 1 | 12 | GLY | CA | C | 44.2934 | 0.0281 | 1 |
104 | 1 | 12 | GLY | N | N | 108.4961 | 0.0000 | 1 |
105 | 1 | 13 | ASP | H | H | 9.1936 | 0.0042 | 1 |
106 | 1 | 13 | ASP | HA | H | 4.4041 | 0.0036 | 1 |
107 | 1 | 13 | ASP | HB2 | H | 2.7352 | 0.0053 | 2 |
108 | 1 | 13 | ASP | HB3 | H | 2.7844 | 0.0106 | 2 |
109 | 1 | 13 | ASP | CA | C | 53.4699 | 0.0000 | 1 |
110 | 1 | 13 | ASP | CB | C | 37.2300 | 0.0260 | 1 |
111 | 1 | 14 | GLU | H | H | 8.2203 | 0.0010 | 1 |
112 | 1 | 14 | GLU | HA | H | 4.2652 | 0.0066 | 1 |
113 | 1 | 14 | GLU | HB2 | H | 2.2893 | 0.0007 | 2 |
114 | 1 | 14 | GLU | HB3 | H | 2.3545 | 0.0026 | 2 |
115 | 1 | 14 | GLU | HG2 | H | 2.7279 | 0.0042 | 2 |
116 | 1 | 14 | GLU | HG3 | H | 2.7279 | 0.0042 | 2 |
117 | 1 | 14 | GLU | CA | C | 54.7318 | 0.0000 | 1 |
118 | 1 | 14 | GLU | CG | C | 33.4992 | 0.0000 | 1 |
119 | 1 | 14 | GLU | N | N | 119.0664 | 0.0000 | 1 |
120 | 1 | 15 | LEU | H | H | 7.3259 | 0.0023 | 1 |
121 | 1 | 15 | LEU | HA | H | 3.7501 | 0.0061 | 1 |
122 | 1 | 15 | LEU | HB2 | H | 1.4532 | 0.0000 | 2 |
123 | 1 | 15 | LEU | HB3 | H | 1.5661 | 0.0000 | 2 |
124 | 1 | 15 | LEU | HG | H | 1.1541 | 0.0002 | 1 |
125 | 1 | 15 | LEU | HD11 | H | 0.8308 | 0.0000 | 2 |
126 | 1 | 15 | LEU | HD12 | H | 0.8308 | 0.0000 | 2 |
127 | 1 | 15 | LEU | HD13 | H | 0.8308 | 0.0000 | 2 |
128 | 1 | 15 | LEU | HD21 | H | 0.5015 | 0.0000 | 2 |
129 | 1 | 15 | LEU | HD22 | H | 0.5015 | 0.0000 | 2 |
130 | 1 | 15 | LEU | HD23 | H | 0.5015 | 0.0000 | 2 |
131 | 1 | 15 | LEU | CA | C | 52.7919 | 0.0000 | 1 |
132 | 1 | 16 | LEU | H | H | 7.2890 | 0.0021 | 1 |
133 | 1 | 16 | LEU | HA | H | 4.3226 | 0.0039 | 1 |
134 | 1 | 16 | LEU | HB2 | H | 1.6324 | 0.0013 | 2 |
135 | 1 | 16 | LEU | HB3 | H | 1.7677 | 0.0009 | 2 |
136 | 1 | 16 | LEU | HG | H | 1.4649 | 0.0000 | 1 |
137 | 1 | 16 | LEU | HD11 | H | 0.9462 | 0.0000 | 2 |
138 | 1 | 16 | LEU | HD12 | H | 0.9462 | 0.0000 | 2 |
139 | 1 | 16 | LEU | HD13 | H | 0.9462 | 0.0000 | 2 |
140 | 1 | 16 | LEU | HD21 | H | 0.8582 | 0.0000 | 2 |
141 | 1 | 16 | LEU | HD22 | H | 0.8582 | 0.0000 | 2 |
142 | 1 | 16 | LEU | HD23 | H | 0.8582 | 0.0000 | 2 |
143 | 1 | 16 | LEU | CA | C | 52.3954 | 0.0000 | 1 |
144 | 1 | 17 | ALA | H | H | 7.7879 | 0.0020 | 1 |
145 | 1 | 17 | ALA | HA | H | 4.3170 | 0.0057 | 1 |
146 | 1 | 17 | ALA | HB1 | H | 1.4641 | 0.0007 | 1 |
147 | 1 | 17 | ALA | HB2 | H | 1.4641 | 0.0007 | 1 |
148 | 1 | 17 | ALA | HB3 | H | 1.4641 | 0.0007 | 1 |
149 | 1 | 17 | ALA | CA | C | 49.7204 | 0.0000 | 1 |
150 | 1 | 17 | ALA | N | N | 123.6324 | 0.0000 | 1 |