NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
630813 |
6efe   |
30508 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6efe
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 295
_Distance_constraint_stats_list.Viol_count 889
_Distance_constraint_stats_list.Viol_total 1038.961
_Distance_constraint_stats_list.Viol_max 0.256
_Distance_constraint_stats_list.Viol_rms 0.0327
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0109
_Distance_constraint_stats_list.Viol_average_violations_only 0.0649
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 2 GLY 0.023 0.017 2 0 "[ . 1 . ]"
1 3 LEU 1.007 0.072 16 0 "[ . 1 . ]"
1 4 GLY 2.851 0.100 8 0 "[ . 1 . ]"
1 5 ARG 2.372 0.077 3 0 "[ . 1 . ]"
1 6 CYS 1.725 0.077 3 0 "[ . 1 . ]"
1 7 ILE 10.757 0.229 3 0 "[ . 1 . ]"
1 8 TYR 1.911 0.096 1 0 "[ . 1 . ]"
1 9 ASN 5.365 0.201 5 0 "[ . 1 . ]"
1 10 CYS 6.176 0.232 6 0 "[ . 1 . ]"
1 11 MET 6.491 0.176 13 0 "[ . 1 . ]"
1 12 ASN 2.901 0.092 11 0 "[ . 1 . ]"
1 13 SER 3.577 0.242 5 0 "[ . 1 . ]"
1 14 GLY 4.942 0.256 8 0 "[ . 1 . ]"
1 15 GLY 1.395 0.228 12 0 "[ . 1 . ]"
1 16 GLY 2.893 0.201 6 0 "[ . 1 . ]"
1 17 LEU 1.318 0.176 5 0 "[ . 1 . ]"
1 18 SER 4.008 0.179 2 0 "[ . 1 . ]"
1 19 PHE 4.827 0.175 16 0 "[ . 1 . ]"
1 20 ILE 4.374 0.175 16 0 "[ . 1 . ]"
1 21 GLN 1.203 0.179 2 0 "[ . 1 . ]"
1 22 CYS 2.762 0.238 4 0 "[ . 1 . ]"
1 23 LYS 2.529 0.145 16 0 "[ . 1 . ]"
1 24 THR 1.071 0.080 12 0 "[ . 1 . ]"
1 25 MET 4.794 0.243 13 0 "[ . 1 . ]"
1 26 CYS 1.652 0.104 10 0 "[ . 1 . ]"
1 27 TYR 0.108 0.030 16 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLY QA 1 2 GLY H 4.000 . 6.000 2.401 2.157 2.830 . 0 0 "[ . 1 . ]" 1
2 1 2 GLY H 1 2 GLY QA 2.500 . 3.700 2.474 2.338 2.535 . 0 0 "[ . 1 . ]" 1
3 1 2 GLY H 1 3 LEU HG 4.000 . 5.000 4.472 3.429 5.006 0.006 7 0 "[ . 1 . ]" 1
4 1 2 GLY H 1 4 GLY H 3.000 . 3.500 3.149 2.606 3.517 0.017 2 0 "[ . 1 . ]" 1
5 1 2 GLY QA 1 3 LEU H 2.500 . 3.700 2.627 2.330 2.921 . 0 0 "[ . 1 . ]" 1
6 1 3 LEU H 1 3 LEU HA 3.000 . 3.500 2.862 2.753 3.002 . 0 0 "[ . 1 . ]" 1
7 1 3 LEU H 1 3 LEU QB 2.500 . 3.300 2.434 2.148 2.653 . 0 0 "[ . 1 . ]" 1
8 1 3 LEU H 1 3 LEU QD 4.000 . 7.400 2.573 1.816 3.257 . 0 0 "[ . 1 . ]" 1
9 1 3 LEU HA 1 3 LEU QB 2.500 . 3.700 2.386 2.304 2.499 . 0 0 "[ . 1 . ]" 1
10 1 3 LEU HA 1 3 LEU QD 3.000 . 5.200 2.388 1.766 3.072 . 0 0 "[ . 1 . ]" 1
11 1 3 LEU HA 1 4 GLY H 3.000 . 3.500 3.526 3.345 3.572 0.072 16 0 "[ . 1 . ]" 1
12 1 3 LEU HA 1 5 ARG H 4.000 . 5.000 4.512 3.499 5.019 0.019 4 0 "[ . 1 . ]" 1
13 1 3 LEU HA 1 7 ILE HG13 4.000 . 5.000 4.990 4.853 5.066 0.066 13 0 "[ . 1 . ]" 1
14 1 3 LEU QB 1 3 LEU QD 2.500 . 6.100 1.843 1.707 1.979 . 0 0 "[ . 1 . ]" 1
15 1 3 LEU HB2 1 4 GLY H 3.000 . 3.500 2.634 2.005 3.380 . 0 0 "[ . 1 . ]" 1
16 1 3 LEU QD 1 7 ILE QG 4.000 . 9.400 3.889 2.953 4.644 . 0 0 "[ . 1 . ]" 1
17 1 3 LEU QD 1 26 CYS QB 3.000 . 7.900 3.521 1.810 5.213 . 0 0 "[ . 1 . ]" 1
18 1 3 LEU QD 1 27 TYR QB 3.000 . 7.900 4.663 3.958 5.154 . 0 0 "[ . 1 . ]" 1
19 1 4 GLY H 1 4 GLY HA2 2.500 . 2.700 2.742 2.358 2.800 0.100 8 0 "[ . 1 . ]" 1
20 1 4 GLY H 1 4 GLY HA3 2.500 . 2.700 2.374 2.335 2.751 0.051 16 0 "[ . 1 . ]" 1
21 1 4 GLY H 1 5 ARG H 3.000 . 3.500 3.069 2.828 3.322 . 0 0 "[ . 1 . ]" 1
22 1 4 GLY QA 1 6 CYS H 4.000 . 6.000 4.158 3.515 4.600 . 0 0 "[ . 1 . ]" 1
23 1 4 GLY HA2 1 5 ARG H 3.000 . 3.500 3.497 2.528 3.573 0.073 15 0 "[ . 1 . ]" 1
24 1 4 GLY HA3 1 5 ARG H 3.000 . 3.500 2.732 2.435 3.567 0.067 16 0 "[ . 1 . ]" 1
25 1 5 ARG H 1 5 ARG QB 2.500 . 3.300 2.209 1.928 2.940 . 0 0 "[ . 1 . ]" 1
26 1 5 ARG H 1 5 ARG QD 4.000 . 6.000 3.478 2.346 4.672 . 0 0 "[ . 1 . ]" 1
27 1 5 ARG H 1 5 ARG QG 4.000 . 6.000 3.637 1.870 4.387 . 0 0 "[ . 1 . ]" 1
28 1 5 ARG H 1 6 CYS H 3.000 . 3.500 2.430 1.901 2.878 . 0 0 "[ . 1 . ]" 1
29 1 5 ARG HA 1 5 ARG QB 2.500 . 3.700 2.485 2.338 2.550 . 0 0 "[ . 1 . ]" 1
30 1 5 ARG HA 1 5 ARG QD 4.000 . 6.000 2.265 1.819 3.275 . 0 0 "[ . 1 . ]" 1
31 1 5 ARG HA 1 5 ARG QG 3.000 . 4.100 2.540 2.148 3.022 . 0 0 "[ . 1 . ]" 1
32 1 5 ARG HA 1 6 CYS H 3.000 . 3.500 3.523 3.311 3.577 0.077 3 0 "[ . 1 . ]" 1
33 1 5 ARG HA 1 8 TYR QB 4.000 . 6.000 2.204 1.912 3.716 . 0 0 "[ . 1 . ]" 1
34 1 5 ARG HA 1 9 ASN H 3.000 . 3.500 3.502 3.335 3.576 0.076 5 0 "[ . 1 . ]" 1
35 1 5 ARG HB3 1 6 CYS H 3.000 . 3.500 3.085 2.518 3.568 0.068 16 0 "[ . 1 . ]" 1
36 1 5 ARG QH 1 8 TYR HA 3.000 . 4.500 3.606 3.399 3.806 . 0 0 "[ . 1 . ]" 1
37 1 5 ARG QH 1 8 TYR HB3 3.000 . 4.500 2.396 1.684 2.932 . 0 0 "[ . 1 . ]" 1
38 1 6 CYS H 1 6 CYS HA 3.000 . 3.500 2.778 2.754 2.850 . 0 0 "[ . 1 . ]" 1
39 1 6 CYS H 1 6 CYS HB2 3.000 . 3.500 2.190 2.016 2.436 . 0 0 "[ . 1 . ]" 1
40 1 6 CYS H 1 6 CYS HB3 3.000 . 3.500 3.474 3.341 3.535 0.035 14 0 "[ . 1 . ]" 1
41 1 6 CYS H 1 7 ILE H 3.000 . 3.500 3.407 3.116 3.534 0.034 5 0 "[ . 1 . ]" 1
42 1 6 CYS HA 1 7 ILE H 3.000 . 3.500 3.530 3.504 3.572 0.072 11 0 "[ . 1 . ]" 1
43 1 6 CYS QB 1 7 ILE QG 3.000 . 4.500 3.371 3.181 3.527 . 0 0 "[ . 1 . ]" 1
44 1 6 CYS HB2 1 7 ILE H 3.000 . 3.500 2.247 1.869 2.738 . 0 0 "[ . 1 . ]" 1
45 1 6 CYS HB3 1 7 ILE H 3.000 . 3.500 2.242 1.864 2.672 . 0 0 "[ . 1 . ]" 1
46 1 7 ILE H 1 7 ILE HA 3.000 . 3.500 2.765 2.722 2.829 . 0 0 "[ . 1 . ]" 1
47 1 7 ILE H 1 7 ILE HB 2.500 . 2.700 2.352 2.291 2.398 . 0 0 "[ . 1 . ]" 1
48 1 7 ILE H 1 7 ILE MD 3.000 . 4.500 1.839 1.790 1.973 . 0 0 "[ . 1 . ]" 1
49 1 7 ILE H 1 7 ILE HG12 3.000 . 3.500 3.641 3.602 3.658 0.158 5 0 "[ . 1 . ]" 1
50 1 7 ILE H 1 7 ILE HG13 2.500 . 2.700 2.666 2.525 2.776 0.076 1 0 "[ . 1 . ]" 1
51 1 7 ILE H 1 7 ILE MG 3.000 . 4.500 3.683 3.666 3.699 . 0 0 "[ . 1 . ]" 1
52 1 7 ILE H 1 8 TYR H 3.000 . 3.500 3.007 2.774 3.537 0.037 16 0 "[ . 1 . ]" 1
53 1 7 ILE HA 1 7 ILE HB 3.000 . 3.500 3.019 3.010 3.030 . 0 0 "[ . 1 . ]" 1
54 1 7 ILE HA 1 7 ILE MD 3.000 . 5.500 3.361 3.298 3.446 . 0 0 "[ . 1 . ]" 1
55 1 7 ILE HA 1 7 ILE HG12 3.000 . 3.500 3.346 3.275 3.416 . 0 0 "[ . 1 . ]" 1
56 1 7 ILE HA 1 7 ILE HG13 3.000 . 3.500 2.161 2.103 2.259 . 0 0 "[ . 1 . ]" 1
57 1 7 ILE HA 1 7 ILE MG 3.000 . 4.100 2.487 2.424 2.534 . 0 0 "[ . 1 . ]" 1
58 1 7 ILE HA 1 8 TYR H 4.000 . 5.000 3.584 3.545 3.606 . 0 0 "[ . 1 . ]" 1
59 1 7 ILE HA 1 10 CYS H 3.000 . 3.500 3.537 3.467 3.584 0.084 16 0 "[ . 1 . ]" 1
60 1 7 ILE HA 1 11 MET H 4.000 . 5.000 2.426 2.058 2.859 . 0 0 "[ . 1 . ]" 1
61 1 7 ILE HA 1 22 CYS QB 4.000 . 6.000 2.441 2.139 2.687 . 0 0 "[ . 1 . ]" 1
62 1 7 ILE HB 1 7 ILE MD 3.000 . 4.500 1.942 1.894 1.974 . 0 0 "[ . 1 . ]" 1
63 1 7 ILE HB 1 7 ILE HG13 2.500 . 2.700 2.918 2.893 2.929 0.229 3 0 "[ . 1 . ]" 1
64 1 7 ILE HB 1 8 TYR H 3.000 . 3.500 2.422 2.035 2.583 . 0 0 "[ . 1 . ]" 1
65 1 7 ILE MD 1 23 LYS HA 3.000 . 4.500 2.138 1.812 3.098 . 0 0 "[ . 1 . ]" 1
66 1 7 ILE HG12 1 7 ILE MG 2.500 . 3.700 1.993 1.924 2.153 . 0 0 "[ . 1 . ]" 1
67 1 7 ILE HG12 1 8 TYR H 4.000 . 5.000 4.976 4.462 5.096 0.096 1 0 "[ . 1 . ]" 1
68 1 7 ILE HG13 1 7 ILE MG 2.500 . 3.700 2.720 2.654 2.804 . 0 0 "[ . 1 . ]" 1
69 1 7 ILE HG13 1 8 TYR H 4.000 . 5.000 4.635 4.479 4.694 . 0 0 "[ . 1 . ]" 1
70 1 7 ILE HG13 1 11 MET HG2 3.000 . 3.500 3.375 2.894 3.603 0.103 8 0 "[ . 1 . ]" 1
71 1 7 ILE HG13 1 11 MET HG3 3.000 . 3.500 3.568 3.507 3.638 0.138 13 0 "[ . 1 . ]" 1
72 1 7 ILE HG13 1 19 PHE QD 3.000 . 5.900 4.412 3.623 5.553 . 0 0 "[ . 1 . ]" 1
73 1 7 ILE HG13 1 19 PHE QE 3.000 . 5.900 4.069 2.826 5.376 . 0 0 "[ . 1 . ]" 1
74 1 7 ILE HG13 1 22 CYS HB2 3.000 . 3.500 3.360 2.331 3.533 0.033 1 0 "[ . 1 . ]" 1
75 1 7 ILE HG13 1 22 CYS HB3 3.000 . 3.500 2.558 1.984 3.398 . 0 0 "[ . 1 . ]" 1
76 1 7 ILE MG 1 19 PHE QD 4.000 . 8.400 3.318 2.591 4.239 . 0 0 "[ . 1 . ]" 1
77 1 7 ILE MG 1 19 PHE QE 3.000 . 6.900 2.431 1.780 3.514 . 0 0 "[ . 1 . ]" 1
78 1 7 ILE MG 1 22 CYS QB 4.000 . 7.000 3.816 3.409 4.159 . 0 0 "[ . 1 . ]" 1
79 1 7 ILE MG 1 23 LYS HA 3.000 . 4.500 3.592 3.473 3.708 . 0 0 "[ . 1 . ]" 1
80 1 7 ILE MG 1 23 LYS QE 4.000 . 7.000 4.710 3.820 5.119 . 0 0 "[ . 1 . ]" 1
81 1 8 TYR H 1 8 TYR HA 3.000 . 3.500 2.776 2.701 2.824 . 0 0 "[ . 1 . ]" 1
82 1 8 TYR H 1 8 TYR HB2 3.000 . 3.500 2.396 2.016 3.486 . 0 0 "[ . 1 . ]" 1
83 1 8 TYR H 1 8 TYR HB3 2.500 . 3.700 2.671 2.299 3.269 . 0 0 "[ . 1 . ]" 1
84 1 8 TYR H 1 8 TYR QD 4.000 . 6.000 3.993 2.494 4.152 . 0 0 "[ . 1 . ]" 1
85 1 8 TYR H 1 9 ASN H 3.000 . 3.500 3.271 2.901 3.523 0.023 16 0 "[ . 1 . ]" 1
86 1 8 TYR H 1 9 ASN QB 4.000 . 6.000 4.914 4.481 5.420 . 0 0 "[ . 1 . ]" 1
87 1 8 TYR H 1 11 MET H 4.000 . 5.000 4.571 4.358 4.978 . 0 0 "[ . 1 . ]" 1
88 1 8 TYR HA 1 8 TYR QD 3.000 . 5.900 2.530 2.095 3.558 . 0 0 "[ . 1 . ]" 1
89 1 8 TYR HA 1 8 TYR QE 4.000 . 7.000 4.470 4.159 5.357 . 0 0 "[ . 1 . ]" 1
90 1 8 TYR HA 1 9 ASN H 3.000 . 3.500 3.550 3.514 3.562 0.062 11 0 "[ . 1 . ]" 1
91 1 8 TYR HA 1 12 ASN H 3.000 . 3.500 3.346 2.724 3.579 0.079 2 0 "[ . 1 . ]" 1
92 1 8 TYR HB2 1 8 TYR QD 2.500 . 5.100 2.515 2.304 2.737 . 0 0 "[ . 1 . ]" 1
93 1 8 TYR HB2 1 9 ASN H 3.000 . 3.500 3.325 1.966 3.549 0.049 3 0 "[ . 1 . ]" 1
94 1 8 TYR HB3 1 8 TYR QD 2.500 . 5.100 2.469 2.282 2.780 . 0 0 "[ . 1 . ]" 1
95 1 8 TYR HB3 1 9 ASN H 3.000 . 3.500 2.038 1.779 3.502 0.021 8 0 "[ . 1 . ]" 1
96 1 8 TYR QD 1 9 ASN H 3.000 . 5.900 2.834 1.891 4.198 . 0 0 "[ . 1 . ]" 1
97 1 8 TYR QD 1 9 ASN HA 3.000 . 5.900 3.629 2.953 4.565 . 0 0 "[ . 1 . ]" 1
98 1 8 TYR QD 1 9 ASN HB2 4.000 . 6.400 4.061 2.664 5.495 . 0 0 "[ . 1 . ]" 1
99 1 8 TYR QD 1 9 ASN HB3 4.000 . 6.400 4.596 2.820 5.864 . 0 0 "[ . 1 . ]" 1
100 1 8 TYR QE 1 9 ASN HA 4.000 . 7.400 4.821 3.705 6.713 . 0 0 "[ . 1 . ]" 1
101 1 9 ASN H 1 9 ASN HA 2.500 . 2.700 2.827 2.758 2.901 0.201 5 0 "[ . 1 . ]" 1
102 1 9 ASN H 1 9 ASN HB2 3.000 . 3.500 2.348 1.910 3.515 0.015 11 0 "[ . 1 . ]" 1
103 1 9 ASN H 1 9 ASN HB3 3.000 . 3.500 3.007 1.996 3.505 0.005 7 0 "[ . 1 . ]" 1
104 1 9 ASN H 1 9 ASN HD21 4.000 . 5.000 3.748 2.797 4.721 . 0 0 "[ . 1 . ]" 1
105 1 9 ASN H 1 9 ASN HD22 4.000 . 5.000 4.626 3.273 5.133 0.133 14 0 "[ . 1 . ]" 1
106 1 9 ASN H 1 10 CYS H 3.000 . 3.500 2.733 2.589 2.891 . 0 0 "[ . 1 . ]" 1
107 1 9 ASN HA 1 10 CYS H 3.000 . 3.500 3.534 3.491 3.561 0.061 9 0 "[ . 1 . ]" 1
108 1 9 ASN HB2 1 10 CYS H 3.000 . 3.500 3.343 2.687 3.659 0.159 5 0 "[ . 1 . ]" 1
109 1 9 ASN HB3 1 10 CYS H 4.000 . 5.000 3.250 2.333 4.100 . 0 0 "[ . 1 . ]" 1
110 1 10 CYS H 1 10 CYS HA 2.500 . 2.700 2.876 2.794 2.932 0.232 6 0 "[ . 1 . ]" 1
111 1 10 CYS H 1 10 CYS HB2 2.500 . 2.700 2.309 2.032 2.709 0.009 16 0 "[ . 1 . ]" 1
112 1 10 CYS H 1 10 CYS HB3 2.500 . 2.700 2.608 2.191 2.829 0.129 4 0 "[ . 1 . ]" 1
113 1 10 CYS H 1 11 MET H 3.000 . 3.500 2.885 2.549 3.295 . 0 0 "[ . 1 . ]" 1
114 1 10 CYS H 1 12 ASN H 4.000 . 5.000 4.233 3.439 4.818 . 0 0 "[ . 1 . ]" 1
115 1 10 CYS HA 1 11 MET H 3.000 . 3.500 3.541 3.505 3.562 0.062 17 0 "[ . 1 . ]" 1
116 1 10 CYS HA 1 11 MET QB 4.000 . 6.000 5.382 5.235 5.504 . 0 0 "[ . 1 . ]" 1
117 1 10 CYS QB 1 22 CYS H 4.000 . 6.000 5.072 4.507 5.424 . 0 0 "[ . 1 . ]" 1
118 1 10 CYS QB 1 22 CYS QB 4.000 . 7.000 2.345 1.865 2.777 . 0 0 "[ . 1 . ]" 1
119 1 10 CYS HB2 1 11 MET H 3.000 . 3.500 3.365 3.181 3.541 0.041 16 0 "[ . 1 . ]" 1
120 1 10 CYS HB3 1 11 MET H 3.000 . 3.500 1.969 1.801 2.394 . 0 0 "[ . 1 . ]" 1
121 1 11 MET H 1 11 MET HA 3.000 . 3.500 2.832 2.727 2.944 . 0 0 "[ . 1 . ]" 1
122 1 11 MET H 1 11 MET QB 3.000 . 4.500 2.323 2.099 2.521 . 0 0 "[ . 1 . ]" 1
123 1 11 MET H 1 11 MET ME 3.000 . 4.500 3.660 3.343 3.846 . 0 0 "[ . 1 . ]" 1
124 1 11 MET H 1 11 MET HG2 3.000 . 3.500 2.109 1.793 2.519 0.007 16 0 "[ . 1 . ]" 1
125 1 11 MET H 1 11 MET HG3 3.000 . 3.500 3.392 3.325 3.558 0.058 18 0 "[ . 1 . ]" 1
126 1 11 MET H 1 12 ASN H 3.000 . 3.500 2.910 2.459 3.305 . 0 0 "[ . 1 . ]" 1
127 1 11 MET H 1 13 SER H 4.000 . 5.000 4.608 3.960 5.040 0.040 15 0 "[ . 1 . ]" 1
128 1 11 MET HA 1 11 MET ME 3.000 . 4.500 1.858 1.764 2.162 . 0 0 "[ . 1 . ]" 1
129 1 11 MET HA 1 11 MET HG2 3.000 . 3.500 2.948 2.457 3.484 . 0 0 "[ . 1 . ]" 1
130 1 11 MET HA 1 11 MET HG3 3.000 . 3.500 3.630 3.575 3.676 0.176 13 0 "[ . 1 . ]" 1
131 1 11 MET HA 1 12 ASN H 3.000 . 3.500 3.568 3.506 3.585 0.085 16 0 "[ . 1 . ]" 1
132 1 11 MET QB 1 11 MET ME 2.500 . 4.700 2.555 1.794 3.337 . 0 0 "[ . 1 . ]" 1
133 1 11 MET ME 1 11 MET HG2 3.000 . 4.500 2.676 1.960 3.345 . 0 0 "[ . 1 . ]" 1
134 1 11 MET ME 1 11 MET HG3 3.000 . 4.500 2.848 2.414 3.235 . 0 0 "[ . 1 . ]" 1
135 1 11 MET ME 1 18 SER HA 3.000 . 5.500 3.579 3.060 4.298 . 0 0 "[ . 1 . ]" 1
136 1 11 MET ME 1 18 SER QB 4.000 . 7.000 4.276 4.022 4.925 . 0 0 "[ . 1 . ]" 1
137 1 11 MET ME 1 19 PHE H 4.000 . 6.000 3.327 2.860 3.918 . 0 0 "[ . 1 . ]" 1
138 1 11 MET ME 1 19 PHE HA 3.000 . 5.500 1.878 1.705 2.235 . 0 0 "[ . 1 . ]" 1
139 1 11 MET ME 1 19 PHE HB2 3.000 . 4.500 2.225 1.950 2.535 . 0 0 "[ . 1 . ]" 1
140 1 11 MET ME 1 19 PHE HB3 3.000 . 4.500 3.495 3.308 3.633 . 0 0 "[ . 1 . ]" 1
141 1 11 MET ME 1 19 PHE QD 4.000 . 8.400 2.615 1.952 3.265 . 0 0 "[ . 1 . ]" 1
142 1 12 ASN H 1 12 ASN HA 3.000 . 3.500 2.787 2.716 2.946 . 0 0 "[ . 1 . ]" 1
143 1 12 ASN H 1 12 ASN HB2 3.000 . 3.500 2.306 2.061 2.721 . 0 0 "[ . 1 . ]" 1
144 1 12 ASN H 1 12 ASN HB3 3.000 . 3.500 2.860 2.375 3.562 0.062 2 0 "[ . 1 . ]" 1
145 1 12 ASN H 1 13 SER H 3.000 . 3.500 3.104 2.376 3.592 0.092 11 0 "[ . 1 . ]" 1
146 1 12 ASN HA 1 12 ASN HB2 3.000 . 3.500 2.632 2.354 3.033 . 0 0 "[ . 1 . ]" 1
147 1 12 ASN HA 1 12 ASN HB3 3.000 . 3.500 2.924 2.415 3.033 . 0 0 "[ . 1 . ]" 1
148 1 12 ASN HA 1 13 SER H 3.000 . 3.500 3.507 2.649 3.579 0.079 1 0 "[ . 1 . ]" 1
149 1 12 ASN QD 1 13 SER H 3.000 . 4.500 3.684 3.351 4.082 . 0 0 "[ . 1 . ]" 1
150 1 13 SER H 1 13 SER HA 2.500 . 2.700 2.813 2.741 2.942 0.242 5 0 "[ . 1 . ]" 1
151 1 13 SER H 1 13 SER QB 3.000 . 4.100 2.904 2.039 3.464 . 0 0 "[ . 1 . ]" 1
152 1 13 SER H 1 14 GLY H 3.000 . 3.500 3.205 1.790 3.558 0.058 7 0 "[ . 1 . ]" 1
153 1 13 SER HA 1 14 GLY H 3.000 . 3.500 2.599 2.234 3.528 0.028 6 0 "[ . 1 . ]" 1
154 1 13 SER HA 1 15 GLY H 4.000 . 5.000 4.401 3.919 5.100 0.100 11 0 "[ . 1 . ]" 1
155 1 14 GLY H 1 14 GLY HA2 2.500 . 2.700 2.786 2.479 2.886 0.186 4 0 "[ . 1 . ]" 1
156 1 14 GLY H 1 14 GLY HA3 2.500 . 2.700 2.835 2.738 2.956 0.256 8 0 "[ . 1 . ]" 1
157 1 14 GLY H 1 15 GLY H 3.000 . 3.500 2.116 1.792 2.971 0.008 18 0 "[ . 1 . ]" 1
158 1 14 GLY H 1 15 GLY QA 3.000 . 4.500 3.824 3.546 4.152 . 0 0 "[ . 1 . ]" 1
159 1 14 GLY QA 1 16 GLY H 4.000 . 6.000 4.367 3.006 5.253 . 0 0 "[ . 1 . ]" 1
160 1 14 GLY HA2 1 15 GLY H 3.000 . 3.500 3.335 2.435 3.567 0.067 17 0 "[ . 1 . ]" 1
161 1 14 GLY HA3 1 15 GLY H 3.000 . 3.500 3.023 2.403 3.547 0.047 3 0 "[ . 1 . ]" 1
162 1 15 GLY H 1 15 GLY HA2 2.500 . 3.700 2.790 2.331 2.993 . 0 0 "[ . 1 . ]" 1
163 1 15 GLY H 1 15 GLY HA3 2.500 . 2.700 2.630 2.357 2.928 0.228 12 0 "[ . 1 . ]" 1
164 1 15 GLY H 1 16 GLY H 3.000 . 3.500 2.941 1.848 3.542 0.042 6 0 "[ . 1 . ]" 1
165 1 15 GLY QA 1 17 LEU MD2 4.000 . 7.000 4.024 1.809 5.217 . 0 0 "[ . 1 . ]" 1
166 1 16 GLY H 1 16 GLY HA2 2.500 . 2.700 2.620 2.332 2.901 0.201 6 0 "[ . 1 . ]" 1
167 1 16 GLY H 1 16 GLY HA3 2.500 . 2.700 2.679 2.348 2.888 0.188 1 0 "[ . 1 . ]" 1
168 1 16 GLY H 1 17 LEU H 3.000 . 3.500 3.164 2.462 3.550 0.050 8 0 "[ . 1 . ]" 1
169 1 16 GLY QA 1 17 LEU H 3.000 . 4.500 2.594 2.246 2.943 . 0 0 "[ . 1 . ]" 1
170 1 17 LEU H 1 17 LEU HA 3.000 . 3.500 2.924 2.716 3.000 . 0 0 "[ . 1 . ]" 1
171 1 17 LEU H 1 17 LEU QB 3.000 . 4.100 2.843 2.020 3.182 . 0 0 "[ . 1 . ]" 1
172 1 17 LEU H 1 17 LEU MD1 4.000 . 6.000 3.168 1.837 4.057 . 0 0 "[ . 1 . ]" 1
173 1 17 LEU H 1 17 LEU MD2 4.000 . 6.000 2.920 2.041 4.135 . 0 0 "[ . 1 . ]" 1
174 1 17 LEU H 1 17 LEU HG 3.000 . 3.500 2.073 1.810 3.676 0.176 5 0 "[ . 1 . ]" 1
175 1 17 LEU H 1 18 SER H 3.000 . 3.500 2.814 1.790 3.563 0.063 11 0 "[ . 1 . ]" 1
176 1 17 LEU HA 1 17 LEU MD1 3.000 . 4.500 3.735 2.097 3.967 . 0 0 "[ . 1 . ]" 1
177 1 17 LEU HA 1 17 LEU MD2 3.000 . 4.500 3.738 3.570 3.865 . 0 0 "[ . 1 . ]" 1
178 1 17 LEU HA 1 17 LEU HG 3.000 . 3.500 3.397 3.078 3.567 0.067 5 0 "[ . 1 . ]" 1
179 1 17 LEU HA 1 18 SER H 3.000 . 3.500 3.501 3.364 3.583 0.083 6 0 "[ . 1 . ]" 1
180 1 17 LEU HB2 1 17 LEU QD 3.000 . 6.900 1.939 1.827 2.057 . 0 0 "[ . 1 . ]" 1
181 1 17 LEU HB3 1 17 LEU QD 3.000 . 6.900 1.999 1.838 2.344 . 0 0 "[ . 1 . ]" 1
182 1 17 LEU QD 1 25 MET ME 4.000 . 7.000 3.786 2.185 4.306 . 0 0 "[ . 1 . ]" 1
183 1 17 LEU MD1 1 18 SER HA 4.000 . 6.000 4.081 3.710 4.476 . 0 0 "[ . 1 . ]" 1
184 1 17 LEU MD1 1 18 SER HB2 3.000 . 4.500 2.746 1.850 3.574 . 0 0 "[ . 1 . ]" 1
185 1 17 LEU MD1 1 18 SER HB3 4.000 . 6.000 3.881 3.059 4.552 . 0 0 "[ . 1 . ]" 1
186 1 17 LEU MD2 1 21 GLN QB 4.000 . 7.000 3.791 2.780 5.039 . 0 0 "[ . 1 . ]" 1
187 1 17 LEU HG 1 18 SER H 3.000 . 3.500 2.466 1.840 3.640 0.140 2 0 "[ . 1 . ]" 1
188 1 18 SER H 1 18 SER HA 3.000 . 3.500 2.973 2.944 3.003 . 0 0 "[ . 1 . ]" 1
189 1 18 SER H 1 18 SER HB2 2.500 . 2.700 2.561 2.295 2.731 0.031 9 0 "[ . 1 . ]" 1
190 1 18 SER H 1 18 SER HB3 3.000 . 3.500 3.529 3.412 3.618 0.118 6 0 "[ . 1 . ]" 1
191 1 18 SER H 1 21 GLN QB 4.000 . 6.000 3.212 2.575 4.809 . 0 0 "[ . 1 . ]" 1
192 1 18 SER H 1 21 GLN QG 3.000 . 4.500 3.469 2.699 3.947 . 0 0 "[ . 1 . ]" 1
193 1 18 SER HA 1 19 PHE H 2.500 . 2.700 2.681 2.364 2.754 0.054 7 0 "[ . 1 . ]" 1
194 1 18 SER HA 1 20 ILE H 4.000 . 5.000 5.015 4.871 5.094 0.094 1 0 "[ . 1 . ]" 1
195 1 18 SER HA 1 21 GLN H 4.000 . 5.000 5.010 4.693 5.179 0.179 2 0 "[ . 1 . ]" 1
196 1 18 SER QB 1 21 GLN QG 3.000 . 4.500 1.877 1.672 2.430 . 0 0 "[ . 1 . ]" 1
197 1 18 SER HB2 1 19 PHE H 3.000 . 3.500 3.546 3.506 3.584 0.084 5 0 "[ . 1 . ]" 1
198 1 18 SER HB2 1 20 ILE H 4.000 . 6.000 4.998 4.555 5.360 . 0 0 "[ . 1 . ]" 1
199 1 18 SER HB3 1 19 PHE H 3.000 . 3.500 2.075 1.955 2.793 . 0 0 "[ . 1 . ]" 1
200 1 18 SER HB3 1 20 ILE H 3.000 . 4.500 3.404 3.010 4.156 . 0 0 "[ . 1 . ]" 1
201 1 19 PHE H 1 19 PHE HA 3.000 . 3.500 2.986 2.920 3.005 . 0 0 "[ . 1 . ]" 1
202 1 19 PHE H 1 19 PHE HB2 3.000 . 3.500 2.894 2.609 3.170 . 0 0 "[ . 1 . ]" 1
203 1 19 PHE H 1 19 PHE HB3 3.000 . 3.500 2.357 2.107 2.561 . 0 0 "[ . 1 . ]" 1
204 1 19 PHE H 1 19 PHE QD 4.000 . 7.400 4.085 3.780 4.204 . 0 0 "[ . 1 . ]" 1
205 1 19 PHE H 1 20 ILE H 3.000 . 3.500 2.389 2.229 2.850 . 0 0 "[ . 1 . ]" 1
206 1 19 PHE HA 1 19 PHE HB2 3.000 . 3.500 2.439 2.350 2.528 . 0 0 "[ . 1 . ]" 1
207 1 19 PHE HA 1 19 PHE HB3 3.000 . 3.500 3.026 3.010 3.036 . 0 0 "[ . 1 . ]" 1
208 1 19 PHE HA 1 19 PHE QD 3.000 . 5.500 2.414 1.818 3.196 . 0 0 "[ . 1 . ]" 1
209 1 19 PHE HA 1 19 PHE QE 4.000 . 7.000 4.517 4.189 4.882 . 0 0 "[ . 1 . ]" 1
210 1 19 PHE HA 1 20 ILE H 3.000 . 3.500 3.550 3.538 3.563 0.063 11 0 "[ . 1 . ]" 1
211 1 19 PHE HA 1 22 CYS QB 4.000 . 6.000 3.300 2.922 3.612 . 0 0 "[ . 1 . ]" 1
212 1 19 PHE HA 1 23 LYS H 3.000 . 3.500 3.562 3.512 3.619 0.119 16 0 "[ . 1 . ]" 1
213 1 19 PHE HB2 1 19 PHE QD 3.000 . 4.900 2.598 2.303 2.790 . 0 0 "[ . 1 . ]" 1
214 1 19 PHE HB2 1 20 ILE H 3.000 . 3.500 3.595 3.526 3.675 0.175 16 0 "[ . 1 . ]" 1
215 1 19 PHE HB3 1 19 PHE QD 3.000 . 5.900 2.430 2.293 2.642 . 0 0 "[ . 1 . ]" 1
216 1 19 PHE HB3 1 20 ILE H 3.000 . 3.500 2.136 2.047 2.251 . 0 0 "[ . 1 . ]" 1
217 1 19 PHE QD 1 20 ILE H 4.000 . 7.400 3.016 1.900 3.961 . 0 0 "[ . 1 . ]" 1
218 1 19 PHE QD 1 20 ILE HA 3.000 . 5.900 3.622 2.330 4.614 . 0 0 "[ . 1 . ]" 1
219 1 19 PHE QD 1 20 ILE MD 4.000 . 8.400 4.389 3.750 4.865 . 0 0 "[ . 1 . ]" 1
220 1 19 PHE QE 1 20 ILE HA 4.000 . 7.400 4.425 3.229 5.598 . 0 0 "[ . 1 . ]" 1
221 1 19 PHE QE 1 20 ILE MD 4.000 . 8.400 5.881 5.499 6.173 . 0 0 "[ . 1 . ]" 1
222 1 19 PHE QE 1 20 ILE QG 3.000 . 6.900 5.148 4.320 5.540 . 0 0 "[ . 1 . ]" 1
223 1 20 ILE H 1 20 ILE HA 3.000 . 3.500 2.798 2.752 2.872 . 0 0 "[ . 1 . ]" 1
224 1 20 ILE H 1 20 ILE HB 3.000 . 3.500 3.176 2.894 3.557 0.057 16 0 "[ . 1 . ]" 1
225 1 20 ILE H 1 20 ILE MD 3.000 . 4.500 2.557 1.858 3.580 . 0 0 "[ . 1 . ]" 1
226 1 20 ILE H 1 20 ILE HG12 3.000 . 3.500 2.732 1.823 3.297 . 0 0 "[ . 1 . ]" 1
227 1 20 ILE H 1 20 ILE HG13 3.000 . 3.500 2.222 1.844 2.968 . 0 0 "[ . 1 . ]" 1
228 1 20 ILE H 1 21 GLN H 3.000 . 3.500 2.781 2.619 2.894 . 0 0 "[ . 1 . ]" 1
229 1 20 ILE HA 1 20 ILE HB 3.000 . 3.500 2.840 2.567 3.014 . 0 0 "[ . 1 . ]" 1
230 1 20 ILE HA 1 20 ILE QG 3.000 . 4.100 2.899 2.628 3.290 . 0 0 "[ . 1 . ]" 1
231 1 20 ILE HA 1 21 GLN H 3.000 . 3.500 3.502 3.450 3.547 0.047 2 0 "[ . 1 . ]" 1
232 1 20 ILE HA 1 23 LYS H 3.000 . 3.500 3.502 3.315 3.645 0.145 16 0 "[ . 1 . ]" 1
233 1 20 ILE HA 1 24 THR H 4.000 . 5.000 3.953 3.261 4.647 . 0 0 "[ . 1 . ]" 1
234 1 20 ILE HA 1 24 THR HG1 4.000 . 6.000 3.696 2.980 4.279 . 0 0 "[ . 1 . ]" 1
235 1 20 ILE HB 1 20 ILE MD 3.000 . 4.500 2.099 1.909 2.290 . 0 0 "[ . 1 . ]" 1
236 1 20 ILE MD 1 21 GLN H 4.000 . 6.000 3.253 2.680 3.972 . 0 0 "[ . 1 . ]" 1
237 1 20 ILE MD 1 21 GLN HA 4.000 . 6.000 4.752 4.545 4.873 . 0 0 "[ . 1 . ]" 1
238 1 20 ILE MD 1 21 GLN QG 3.000 . 5.500 3.239 2.848 3.630 . 0 0 "[ . 1 . ]" 1
239 1 20 ILE QG 1 21 GLN QG 4.000 . 7.000 3.852 1.846 5.207 . 0 0 "[ . 1 . ]" 1
240 1 21 GLN H 1 21 GLN HA 3.000 . 3.500 2.872 2.823 2.935 . 0 0 "[ . 1 . ]" 1
241 1 21 GLN H 1 21 GLN QB 3.000 . 4.100 2.315 2.010 2.826 . 0 0 "[ . 1 . ]" 1
242 1 21 GLN H 1 21 GLN QG 2.500 . 3.700 2.200 1.762 2.846 . 0 0 "[ . 1 . ]" 1
243 1 21 GLN H 1 22 CYS H 3.000 . 3.500 2.880 2.491 3.238 . 0 0 "[ . 1 . ]" 1
244 1 21 GLN H 1 23 LYS H 4.000 . 5.000 3.778 3.526 4.074 . 0 0 "[ . 1 . ]" 1
245 1 21 GLN HA 1 21 GLN QG 2.500 . 3.300 2.610 2.234 3.218 . 0 0 "[ . 1 . ]" 1
246 1 21 GLN HA 1 22 CYS H 3.000 . 4.500 3.494 3.184 3.596 . 0 0 "[ . 1 . ]" 1
247 1 21 GLN HE21 1 21 GLN HG3 3.000 . 3.500 3.289 3.043 3.540 0.040 2 0 "[ . 1 . ]" 1
248 1 21 GLN HE22 1 21 GLN HG2 3.000 . 3.500 3.520 3.511 3.548 0.048 2 0 "[ . 1 . ]" 1
249 1 21 GLN QG 1 22 CYS H 3.000 . 4.500 3.855 1.829 4.132 . 0 0 "[ . 1 . ]" 1
250 1 22 CYS H 1 22 CYS HA 3.000 . 3.500 2.907 2.806 3.003 . 0 0 "[ . 1 . ]" 1
251 1 22 CYS H 1 22 CYS HB2 2.500 . 2.700 2.329 2.013 2.717 0.017 4 0 "[ . 1 . ]" 1
252 1 22 CYS H 1 22 CYS HB3 3.000 . 3.500 3.529 3.391 3.738 0.238 4 0 "[ . 1 . ]" 1
253 1 22 CYS H 1 23 LYS H 3.000 . 3.500 2.341 1.846 2.801 . 0 0 "[ . 1 . ]" 1
254 1 22 CYS H 1 26 CYS H 4.000 . 5.000 5.040 4.951 5.104 0.104 10 0 "[ . 1 . ]" 1
255 1 22 CYS HA 1 22 CYS HB2 3.000 . 3.500 3.002 2.965 3.039 . 0 0 "[ . 1 . ]" 1
256 1 22 CYS HA 1 22 CYS HB3 3.000 . 3.500 2.619 2.374 2.734 . 0 0 "[ . 1 . ]" 1
257 1 22 CYS HA 1 23 LYS H 4.000 . 5.000 3.550 3.531 3.584 . 0 0 "[ . 1 . ]" 1
258 1 22 CYS HA 1 25 MET H 3.000 . 3.500 3.537 3.366 3.597 0.097 16 0 "[ . 1 . ]" 1
259 1 22 CYS HA 1 25 MET QB 3.000 . 4.500 3.061 2.166 3.933 . 0 0 "[ . 1 . ]" 1
260 1 22 CYS HB2 1 23 LYS H 3.000 . 4.500 2.804 2.590 2.975 . 0 0 "[ . 1 . ]" 1
261 1 22 CYS HB3 1 23 LYS H 3.000 . 4.500 3.512 3.157 3.924 . 0 0 "[ . 1 . ]" 1
262 1 23 LYS H 1 23 LYS HA 3.000 . 3.500 2.800 2.730 2.899 . 0 0 "[ . 1 . ]" 1
263 1 23 LYS H 1 23 LYS QB 3.000 . 4.100 2.155 1.995 2.205 . 0 0 "[ . 1 . ]" 1
264 1 23 LYS H 1 23 LYS QD 3.000 . 4.500 4.054 3.845 4.174 . 0 0 "[ . 1 . ]" 1
265 1 23 LYS H 1 23 LYS QG 3.000 . 4.500 3.856 2.401 4.033 . 0 0 "[ . 1 . ]" 1
266 1 23 LYS H 1 24 THR H 3.000 . 3.500 2.885 2.556 3.146 . 0 0 "[ . 1 . ]" 1
267 1 23 LYS HA 1 23 LYS QD 3.000 . 4.500 2.237 1.854 3.923 . 0 0 "[ . 1 . ]" 1
268 1 23 LYS HA 1 23 LYS QG 3.000 . 4.100 2.917 2.211 3.392 . 0 0 "[ . 1 . ]" 1
269 1 23 LYS HA 1 24 THR H 3.000 . 3.500 3.508 3.335 3.580 0.080 12 0 "[ . 1 . ]" 1
270 1 23 LYS QB 1 23 LYS QD 2.500 . 4.700 2.348 1.997 2.492 . 0 0 "[ . 1 . ]" 1
271 1 23 LYS QB 1 23 LYS QE 4.000 . 7.000 3.559 1.966 3.915 . 0 0 "[ . 1 . ]" 1
272 1 23 LYS QB 1 24 THR H 3.000 . 4.500 2.742 2.217 3.593 . 0 0 "[ . 1 . ]" 1
273 1 23 LYS HB2 1 23 LYS QG 2.500 . 3.700 2.310 2.176 2.501 . 0 0 "[ . 1 . ]" 1
274 1 23 LYS QE 1 23 LYS QG 3.000 . 5.500 2.196 2.103 2.407 . 0 0 "[ . 1 . ]" 1
275 1 24 THR H 1 24 THR HA 3.000 . 3.500 2.983 2.945 3.000 . 0 0 "[ . 1 . ]" 1
276 1 24 THR H 1 24 THR HB 2.500 . 3.700 3.239 2.594 3.718 0.018 8 0 "[ . 1 . ]" 1
277 1 24 THR H 1 24 THR HG1 3.000 . 4.500 2.733 1.896 3.595 . 0 0 "[ . 1 . ]" 1
278 1 24 THR HA 1 24 THR HG1 2.500 . 3.300 2.233 1.890 2.794 . 0 0 "[ . 1 . ]" 1
279 1 24 THR HA 1 25 MET H 3.000 . 3.500 3.443 2.982 3.561 0.061 5 0 "[ . 1 . ]" 1
280 1 25 MET H 1 25 MET HA 2.500 . 2.700 2.836 2.755 2.943 0.243 13 0 "[ . 1 . ]" 1
281 1 25 MET H 1 25 MET QB 2.500 . 3.300 2.160 1.918 2.830 . 0 0 "[ . 1 . ]" 1
282 1 25 MET H 1 25 MET ME 4.000 . 6.000 4.651 4.290 4.924 . 0 0 "[ . 1 . ]" 1
283 1 25 MET H 1 25 MET HG2 3.000 . 3.500 2.972 2.039 3.525 0.025 7 0 "[ . 1 . ]" 1
284 1 25 MET H 1 25 MET HG3 3.000 . 3.500 3.228 2.619 3.579 0.079 10 0 "[ . 1 . ]" 1
285 1 25 MET HA 1 26 CYS H 3.000 . 3.500 3.542 3.512 3.570 0.070 1 0 "[ . 1 . ]" 1
286 1 26 CYS H 1 26 CYS HA 3.000 . 3.500 2.833 2.751 2.975 . 0 0 "[ . 1 . ]" 1
287 1 26 CYS H 1 26 CYS HB2 3.000 . 3.500 2.691 1.985 3.535 0.035 18 0 "[ . 1 . ]" 1
288 1 26 CYS H 1 26 CYS HB3 3.000 . 3.500 2.500 2.248 3.328 . 0 0 "[ . 1 . ]" 1
289 1 26 CYS HA 1 26 CYS HB2 3.000 . 3.500 2.499 2.384 2.884 . 0 0 "[ . 1 . ]" 1
290 1 26 CYS HA 1 26 CYS HB3 3.000 . 3.500 2.886 2.435 3.037 . 0 0 "[ . 1 . ]" 1
291 1 26 CYS HA 1 27 TYR QB 3.000 . 4.500 4.052 3.946 4.123 . 0 0 "[ . 1 . ]" 1
292 1 26 CYS HA 1 27 TYR QD 4.000 . 7.400 5.814 5.614 5.907 . 0 0 "[ . 1 . ]" 1
293 1 27 TYR H 1 27 TYR HA 3.000 . 3.500 2.947 2.806 3.001 . 0 0 "[ . 1 . ]" 1
294 1 27 TYR H 1 27 TYR HB2 2.500 . 2.700 2.539 2.217 2.730 0.030 16 0 "[ . 1 . ]" 1
295 1 27 TYR H 1 27 TYR HB3 2.500 . 2.700 2.558 2.189 2.722 0.022 12 0 "[ . 1 . ]" 1
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