NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
387527 |
1mii   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1mii
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 277
_Distance_constraint_stats_list.Viol_count 994
_Distance_constraint_stats_list.Viol_total 1719.534
_Distance_constraint_stats_list.Viol_max 0.293
_Distance_constraint_stats_list.Viol_rms 0.0439
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0155
_Distance_constraint_stats_list.Viol_average_violations_only 0.0865
_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 0.268 0.043 8 0 "[ . 1 . 2]"
1 2 CYS 3.664 0.113 8 0 "[ . 1 . 2]"
1 3 CYS 8.283 0.147 8 0 "[ . 1 . 2]"
1 4 SER 12.192 0.249 7 0 "[ . 1 . 2]"
1 5 ASN 13.112 0.249 7 0 "[ . 1 . 2]"
1 6 PRO 19.230 0.293 3 0 "[ . 1 . 2]"
1 7 VAL 6.310 0.200 20 0 "[ . 1 . 2]"
1 8 CYS 7.020 0.144 16 0 "[ . 1 . 2]"
1 9 HIS 8.478 0.239 20 0 "[ . 1 . 2]"
1 10 LEU 5.580 0.112 16 0 "[ . 1 . 2]"
1 11 GLU 4.159 0.101 3 0 "[ . 1 . 2]"
1 12 HIS 7.418 0.139 7 0 "[ . 1 . 2]"
1 13 SER 4.213 0.194 7 0 "[ . 1 . 2]"
1 14 ASN 6.697 0.114 16 0 "[ . 1 . 2]"
1 15 LEU 10.324 0.139 17 0 "[ . 1 . 2]"
1 16 CYS 14.798 0.185 1 0 "[ . 1 . 2]"
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 CYS HB2 0.000 . 7.000 4.107 4.012 4.133 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLY QA 1 2 CYS HB3 0.000 . 7.000 4.392 4.385 4.398 . 0 0 "[ . 1 . 2]" 1
3 1 1 GLY HA2 1 2 CYS H 0.000 . 2.700 2.608 2.202 2.711 0.011 7 0 "[ . 1 . 2]" 1
4 1 1 GLY HA2 1 3 CYS H 0.000 . 5.000 4.447 4.158 4.526 . 0 0 "[ . 1 . 2]" 1
5 1 1 GLY HA3 1 2 CYS H 0.000 . 2.700 2.419 2.323 2.743 0.043 8 0 "[ . 1 . 2]" 1
6 1 1 GLY HA3 1 3 CYS H 0.000 . 5.000 3.421 3.364 3.440 . 0 0 "[ . 1 . 2]" 1
7 1 2 CYS H 1 2 CYS HA 0.000 . 2.700 2.756 2.754 2.758 0.058 8 0 "[ . 1 . 2]" 1
8 1 2 CYS H 1 2 CYS HB2 0.000 . 2.700 2.216 2.188 2.226 . 0 0 "[ . 1 . 2]" 1
9 1 2 CYS H 1 2 CYS HB3 0.000 . 2.700 2.708 2.705 2.716 0.016 1 0 "[ . 1 . 2]" 1
10 1 2 CYS H 1 3 CYS H 0.000 . 3.500 2.735 2.712 2.754 . 0 0 "[ . 1 . 2]" 1
11 1 2 CYS H 1 4 SER H 0.000 . 6.000 4.097 4.073 4.172 . 0 0 "[ . 1 . 2]" 1
12 1 2 CYS H 1 5 ASN H 0.000 . 6.000 4.809 4.796 4.854 . 0 0 "[ . 1 . 2]" 1
13 1 2 CYS HB2 1 3 CYS H 0.000 . 3.500 3.606 3.602 3.613 0.113 8 0 "[ . 1 . 2]" 1
14 1 2 CYS HB3 1 3 CYS H 0.000 . 3.500 2.514 2.500 2.563 . 0 0 "[ . 1 . 2]" 1
15 1 3 CYS H 1 3 CYS HA 0.000 . 2.700 2.843 2.840 2.847 0.147 8 0 "[ . 1 . 2]" 1
16 1 3 CYS H 1 3 CYS HB2 0.000 . 3.500 3.176 3.147 3.185 . 0 0 "[ . 1 . 2]" 1
17 1 3 CYS H 1 3 CYS HB3 0.000 . 2.700 2.069 2.062 2.076 . 0 0 "[ . 1 . 2]" 1
18 1 3 CYS H 1 4 SER H 0.000 . 2.700 2.518 2.509 2.537 . 0 0 "[ . 1 . 2]" 1
19 1 3 CYS H 1 4 SER HB2 0.000 . 6.000 5.013 4.736 6.021 0.021 8 0 "[ . 1 . 2]" 1
20 1 3 CYS H 1 4 SER HB3 0.000 . 6.000 5.076 5.011 5.327 . 0 0 "[ . 1 . 2]" 1
21 1 3 CYS H 1 5 ASN H 0.000 . 5.000 3.669 3.650 3.677 . 0 0 "[ . 1 . 2]" 1
22 1 3 CYS H 1 9 HIS HA 0.000 . 6.000 5.302 5.263 5.326 . 0 0 "[ . 1 . 2]" 1
23 1 3 CYS H 1 9 HIS QB 0.000 . 6.000 5.030 5.025 5.043 . 0 0 "[ . 1 . 2]" 1
24 1 3 CYS HA 1 3 CYS HB2 0.000 . 2.700 2.309 2.303 2.314 . 0 0 "[ . 1 . 2]" 1
25 1 3 CYS HA 1 4 SER H 0.000 . 3.500 3.417 3.411 3.435 . 0 0 "[ . 1 . 2]" 1
26 1 3 CYS HA 1 5 ASN H 0.000 . 3.500 3.629 3.625 3.632 0.132 16 0 "[ . 1 . 2]" 1
27 1 3 CYS HA 1 9 HIS HA 0.000 . 5.000 2.879 2.861 2.904 . 0 0 "[ . 1 . 2]" 1
28 1 3 CYS HA 1 9 HIS QB 0.000 . 4.500 3.074 3.060 3.106 . 0 0 "[ . 1 . 2]" 1
29 1 3 CYS HA 1 16 CYS HB2 0.000 . 6.000 2.482 2.406 2.512 . 0 0 "[ . 1 . 2]" 1
30 1 3 CYS HA 1 16 CYS HB3 0.000 . 6.000 3.448 3.387 3.466 . 0 0 "[ . 1 . 2]" 1
31 1 3 CYS QB 1 5 ASN H 0.000 . 7.000 4.537 4.505 4.548 . 0 0 "[ . 1 . 2]" 1
32 1 3 CYS QB 1 9 HIS QB 0.000 . 8.000 4.735 4.721 4.764 . 0 0 "[ . 1 . 2]" 1
33 1 3 CYS QB 1 16 CYS H 0.000 . 7.000 3.195 3.169 3.215 . 0 0 "[ . 1 . 2]" 1
34 1 3 CYS HB2 1 4 SER H 0.000 . 5.000 4.308 4.292 4.318 . 0 0 "[ . 1 . 2]" 1
35 1 3 CYS HB2 1 9 HIS HA 0.000 . 6.000 4.846 4.825 4.875 . 0 0 "[ . 1 . 2]" 1
36 1 3 CYS HB2 1 16 CYS HA 0.000 . 5.000 3.833 3.795 3.856 . 0 0 "[ . 1 . 2]" 1
37 1 3 CYS HB2 1 16 CYS HB2 0.000 . 5.000 2.043 2.038 2.057 . 0 0 "[ . 1 . 2]" 1
38 1 3 CYS HB2 1 16 CYS HB3 0.000 . 6.000 3.705 3.698 3.722 . 0 0 "[ . 1 . 2]" 1
39 1 3 CYS HB3 1 4 SER H 0.000 . 5.000 3.299 3.254 3.315 . 0 0 "[ . 1 . 2]" 1
40 1 3 CYS HB3 1 9 HIS HA 0.000 . 6.000 5.763 5.752 5.788 . 0 0 "[ . 1 . 2]" 1
41 1 3 CYS HB3 1 16 CYS HA 0.000 . 6.000 5.066 5.035 5.085 . 0 0 "[ . 1 . 2]" 1
42 1 3 CYS HB3 1 16 CYS HB2 0.000 . 3.500 3.509 3.504 3.513 0.013 8 0 "[ . 1 . 2]" 1
43 1 3 CYS HB3 1 16 CYS HB3 0.000 . 5.000 5.024 5.023 5.027 0.027 20 0 "[ . 1 . 2]" 1
44 1 4 SER H 1 4 SER HA 0.000 . 2.700 2.876 2.872 2.878 0.178 13 0 "[ . 1 . 2]" 1
45 1 4 SER H 1 4 SER HB2 0.000 . 3.500 2.835 2.639 3.556 0.056 8 0 "[ . 1 . 2]" 1
46 1 4 SER H 1 4 SER HB3 0.000 . 3.500 2.790 2.693 3.122 . 0 0 "[ . 1 . 2]" 1
47 1 4 SER H 1 5 ASN H 0.000 . 2.700 2.079 2.073 2.086 . 0 0 "[ . 1 . 2]" 1
48 1 4 SER H 1 5 ASN HB2 0.000 . 5.000 3.681 3.676 3.685 . 0 0 "[ . 1 . 2]" 1
49 1 4 SER H 1 5 ASN HB3 0.000 . 5.000 5.247 5.245 5.249 0.249 7 0 "[ . 1 . 2]" 1
50 1 4 SER H 1 9 HIS QB 0.000 . 6.000 4.292 4.279 4.316 . 0 0 "[ . 1 . 2]" 1
51 1 4 SER HA 1 5 ASN H 0.000 . 3.500 3.133 3.125 3.138 . 0 0 "[ . 1 . 2]" 1
52 1 4 SER HA 1 9 HIS QB 0.000 . 7.000 3.968 3.939 3.981 . 0 0 "[ . 1 . 2]" 1
53 1 4 SER HA 1 16 CYS HB2 0.000 . 5.000 5.107 5.096 5.111 0.111 5 0 "[ . 1 . 2]" 1
54 1 4 SER HA 1 16 CYS HB3 0.000 . 5.000 5.068 5.059 5.080 0.080 7 0 "[ . 1 . 2]" 1
55 1 4 SER HB2 1 5 ASN H 0.000 . 5.000 4.113 4.078 4.133 . 0 0 "[ . 1 . 2]" 1
56 1 4 SER HB3 1 5 ASN H 0.000 . 5.000 3.672 3.492 4.385 . 0 0 "[ . 1 . 2]" 1
57 1 5 ASN H 1 5 ASN HB2 0.000 . 3.500 2.022 2.015 2.027 . 0 0 "[ . 1 . 2]" 1
58 1 5 ASN H 1 5 ASN HB3 0.000 . 3.500 3.353 3.349 3.359 . 0 0 "[ . 1 . 2]" 1
59 1 5 ASN H 1 5 ASN HD22 0.000 . 6.000 5.168 5.142 5.182 . 0 0 "[ . 1 . 2]" 1
60 1 5 ASN H 1 6 PRO HD2 0.000 . 5.000 4.935 4.931 4.943 . 0 0 "[ . 1 . 2]" 1
61 1 5 ASN H 1 6 PRO HD3 0.000 . 5.000 4.862 4.859 4.865 . 0 0 "[ . 1 . 2]" 1
62 1 5 ASN H 1 9 HIS H 0.000 . 5.000 4.432 4.420 4.457 . 0 0 "[ . 1 . 2]" 1
63 1 5 ASN H 1 9 HIS HA 0.000 . 5.000 4.712 4.660 4.733 . 0 0 "[ . 1 . 2]" 1
64 1 5 ASN H 1 9 HIS QB 0.000 . 6.000 3.034 3.004 3.053 . 0 0 "[ . 1 . 2]" 1
65 1 5 ASN HA 1 5 ASN HD22 0.000 . 5.000 4.438 4.412 4.467 . 0 0 "[ . 1 . 2]" 1
66 1 5 ASN HA 1 6 PRO QB 0.000 . 7.000 4.611 4.609 4.614 . 0 0 "[ . 1 . 2]" 1
67 1 5 ASN HA 1 6 PRO HD2 0.000 . 2.700 2.859 2.857 2.862 0.162 13 0 "[ . 1 . 2]" 1
68 1 5 ASN HA 1 6 PRO HD3 0.000 . 2.700 2.109 2.104 2.113 . 0 0 "[ . 1 . 2]" 1
69 1 5 ASN HA 1 6 PRO HG2 0.000 . 5.000 4.799 4.795 4.801 . 0 0 "[ . 1 . 2]" 1
70 1 5 ASN HA 1 6 PRO HG3 0.000 . 5.000 4.291 4.287 4.296 . 0 0 "[ . 1 . 2]" 1
71 1 5 ASN HA 1 7 VAL H 0.000 . 5.000 4.740 4.730 4.748 . 0 0 "[ . 1 . 2]" 1
72 1 5 ASN HA 1 8 CYS H 0.000 . 5.000 4.783 4.758 4.791 . 0 0 "[ . 1 . 2]" 1
73 1 5 ASN HA 1 9 HIS H 0.000 . 5.000 4.963 4.950 4.977 . 0 0 "[ . 1 . 2]" 1
74 1 5 ASN QB 1 7 VAL HA 0.000 . 7.000 5.207 5.204 5.212 . 0 0 "[ . 1 . 2]" 1
75 1 5 ASN QB 1 8 CYS QB 0.000 . 7.000 1.800 1.793 1.804 . 0 0 "[ . 1 . 2]" 1
76 1 5 ASN QB 1 9 HIS H 0.000 . 6.000 2.982 2.971 3.000 . 0 0 "[ . 1 . 2]" 1
77 1 5 ASN HB2 1 5 ASN HD21 0.000 . 3.500 2.805 2.755 2.845 . 0 0 "[ . 1 . 2]" 1
78 1 5 ASN HB2 1 6 PRO HD2 0.000 . 5.000 3.748 3.742 3.767 . 0 0 "[ . 1 . 2]" 1
79 1 5 ASN HB2 1 6 PRO HD3 0.000 . 5.000 4.339 4.333 4.347 . 0 0 "[ . 1 . 2]" 1
80 1 5 ASN HB2 1 8 CYS H 0.000 . 3.500 3.556 3.554 3.558 0.058 7 0 "[ . 1 . 2]" 1
81 1 5 ASN HB3 1 5 ASN HD21 0.000 . 2.700 2.316 2.300 2.336 . 0 0 "[ . 1 . 2]" 1
82 1 5 ASN HB3 1 5 ASN HD22 0.000 . 3.500 3.516 3.513 3.520 0.020 8 0 "[ . 1 . 2]" 1
83 1 5 ASN HB3 1 6 PRO HD2 0.000 . 5.000 2.173 2.167 2.192 . 0 0 "[ . 1 . 2]" 1
84 1 5 ASN HB3 1 6 PRO HD3 0.000 . 5.000 3.216 3.209 3.227 . 0 0 "[ . 1 . 2]" 1
85 1 5 ASN HB3 1 8 CYS H 0.000 . 3.500 2.337 2.322 2.345 . 0 0 "[ . 1 . 2]" 1
86 1 5 ASN QD 1 7 VAL HB 0.000 . 6.000 4.532 4.483 4.602 . 0 0 "[ . 1 . 2]" 1
87 1 5 ASN QD 1 7 VAL MG1 0.000 . 8.500 5.313 5.276 5.351 . 0 0 "[ . 1 . 2]" 1
88 1 5 ASN QD 1 7 VAL MG2 0.000 . 8.500 5.289 5.247 5.356 . 0 0 "[ . 1 . 2]" 1
89 1 5 ASN HD21 1 6 PRO QD 0.000 . 7.000 3.489 3.428 3.572 . 0 0 "[ . 1 . 2]" 1
90 1 5 ASN HD21 1 7 VAL H 0.000 . 6.000 5.031 4.978 5.110 . 0 0 "[ . 1 . 2]" 1
91 1 5 ASN HD22 1 6 PRO HD2 0.000 . 6.000 4.436 4.405 4.494 . 0 0 "[ . 1 . 2]" 1
92 1 5 ASN HD22 1 6 PRO HD3 0.000 . 6.000 5.130 5.085 5.188 . 0 0 "[ . 1 . 2]" 1
93 1 5 ASN HD22 1 8 CYS H 0.000 . 5.000 5.048 5.045 5.053 0.053 20 0 "[ . 1 . 2]" 1
94 1 6 PRO HA 1 6 PRO HB3 0.000 . 2.700 2.195 2.191 2.197 . 0 0 "[ . 1 . 2]" 1
95 1 6 PRO HA 1 6 PRO HG2 0.000 . 3.500 3.790 3.788 3.793 0.293 3 0 "[ . 1 . 2]" 1
96 1 6 PRO HA 1 7 VAL H 0.000 . 3.500 3.385 3.383 3.386 . 0 0 "[ . 1 . 2]" 1
97 1 6 PRO HA 1 7 VAL HA 0.000 . 6.000 4.639 4.634 4.649 . 0 0 "[ . 1 . 2]" 1
98 1 6 PRO HA 1 8 CYS H 0.000 . 5.000 4.646 4.626 4.651 . 0 0 "[ . 1 . 2]" 1
99 1 6 PRO HA 1 9 HIS H 0.000 . 3.500 3.734 3.725 3.739 0.239 20 0 "[ . 1 . 2]" 1
100 1 6 PRO QB 1 7 VAL MG1 0.000 . 7.500 4.978 4.970 4.984 . 0 0 "[ . 1 . 2]" 1
101 1 6 PRO QB 1 7 VAL MG2 0.000 . 7.500 2.857 2.850 2.861 . 0 0 "[ . 1 . 2]" 1
102 1 6 PRO QB 1 9 HIS QB 0.000 . 8.000 4.360 4.354 4.378 . 0 0 "[ . 1 . 2]" 1
103 1 6 PRO HB2 1 7 VAL H 0.000 . 2.700 2.555 2.548 2.559 . 0 0 "[ . 1 . 2]" 1
104 1 6 PRO HB2 1 7 VAL MG1 0.000 . 6.500 5.173 5.163 5.180 . 0 0 "[ . 1 . 2]" 1
105 1 6 PRO HB2 1 8 CYS H 0.000 . 6.000 4.914 4.899 4.920 . 0 0 "[ . 1 . 2]" 1
106 1 6 PRO HB3 1 7 VAL H 0.000 . 3.500 3.581 3.578 3.583 0.083 6 0 "[ . 1 . 2]" 1
107 1 6 PRO HB3 1 8 CYS H 0.000 . 6.000 5.676 5.658 5.682 . 0 0 "[ . 1 . 2]" 1
108 1 6 PRO QD 1 9 HIS H 0.000 . 7.000 4.049 4.028 4.066 . 0 0 "[ . 1 . 2]" 1
109 1 6 PRO HD2 1 7 VAL H 0.000 . 3.500 2.260 2.251 2.269 . 0 0 "[ . 1 . 2]" 1
110 1 6 PRO HD2 1 7 VAL HA 0.000 . 5.000 4.953 4.942 4.959 . 0 0 "[ . 1 . 2]" 1
111 1 6 PRO HD2 1 8 CYS H 0.000 . 6.000 2.931 2.906 2.939 . 0 0 "[ . 1 . 2]" 1
112 1 6 PRO HD3 1 7 VAL H 0.000 . 3.500 3.462 3.456 3.468 . 0 0 "[ . 1 . 2]" 1
113 1 6 PRO HD3 1 7 VAL HA 0.000 . 6.000 6.198 6.195 6.200 0.200 20 0 "[ . 1 . 2]" 1
114 1 6 PRO HD3 1 8 CYS H 0.000 . 6.000 4.517 4.492 4.525 . 0 0 "[ . 1 . 2]" 1
115 1 6 PRO QG 1 9 HIS QB 0.000 . 7.000 5.128 5.123 5.140 . 0 0 "[ . 1 . 2]" 1
116 1 6 PRO HG2 1 7 VAL H 0.000 . 5.000 1.845 1.842 1.849 . 0 0 "[ . 1 . 2]" 1
117 1 6 PRO HG2 1 8 CYS H 0.000 . 6.000 4.173 4.160 4.178 . 0 0 "[ . 1 . 2]" 1
118 1 6 PRO HG3 1 7 VAL H 0.000 . 3.500 3.319 3.316 3.322 . 0 0 "[ . 1 . 2]" 1
119 1 6 PRO HG3 1 7 VAL MG2 0.000 . 6.500 3.739 3.732 3.741 . 0 0 "[ . 1 . 2]" 1
120 1 6 PRO HG3 1 8 CYS H 0.000 . 6.000 5.416 5.400 5.422 . 0 0 "[ . 1 . 2]" 1
121 1 7 VAL H 1 7 VAL HB 0.000 . 2.700 2.542 2.533 2.546 . 0 0 "[ . 1 . 2]" 1
122 1 7 VAL H 1 7 VAL MG2 0.000 . 4.200 1.968 1.962 1.972 . 0 0 "[ . 1 . 2]" 1
123 1 7 VAL H 1 8 CYS H 0.000 . 2.700 2.520 2.510 2.524 . 0 0 "[ . 1 . 2]" 1
124 1 7 VAL H 1 8 CYS HB2 0.000 . 5.000 4.295 4.286 4.298 . 0 0 "[ . 1 . 2]" 1
125 1 7 VAL H 1 8 CYS HB3 0.000 . 5.000 5.037 5.035 5.039 0.039 20 0 "[ . 1 . 2]" 1
126 1 7 VAL H 1 9 HIS H 0.000 . 5.000 3.645 3.631 3.661 . 0 0 "[ . 1 . 2]" 1
127 1 7 VAL H 1 9 HIS QB 0.000 . 7.000 4.533 4.526 4.547 . 0 0 "[ . 1 . 2]" 1
128 1 7 VAL H 1 10 LEU H 0.000 . 5.000 4.439 4.431 4.470 . 0 0 "[ . 1 . 2]" 1
129 1 7 VAL H 1 10 LEU QB 0.000 . 7.000 4.222 4.169 4.278 . 0 0 "[ . 1 . 2]" 1
130 1 7 VAL HA 1 8 CYS H 0.000 . 3.500 3.429 3.422 3.431 . 0 0 "[ . 1 . 2]" 1
131 1 7 VAL HA 1 9 HIS H 0.000 . 6.000 3.830 3.819 3.836 . 0 0 "[ . 1 . 2]" 1
132 1 7 VAL HA 1 9 HIS QB 0.000 . 6.000 4.836 4.829 4.851 . 0 0 "[ . 1 . 2]" 1
133 1 7 VAL HA 1 10 LEU H 0.000 . 3.500 3.184 3.173 3.215 . 0 0 "[ . 1 . 2]" 1
134 1 7 VAL HA 1 10 LEU HB2 0.000 . 3.500 2.218 2.146 2.299 . 0 0 "[ . 1 . 2]" 1
135 1 7 VAL HA 1 10 LEU HB3 0.000 . 3.500 2.968 2.954 3.007 . 0 0 "[ . 1 . 2]" 1
136 1 7 VAL HA 1 11 GLU H 0.000 . 5.000 3.970 3.958 3.981 . 0 0 "[ . 1 . 2]" 1
137 1 7 VAL HA 1 11 GLU QG 0.000 . 7.000 4.163 4.149 4.197 . 0 0 "[ . 1 . 2]" 1
138 1 7 VAL HB 1 8 CYS H 0.000 . 2.700 2.448 2.445 2.459 . 0 0 "[ . 1 . 2]" 1
139 1 7 VAL HB 1 8 CYS HB2 0.000 . 5.000 3.596 3.588 3.599 . 0 0 "[ . 1 . 2]" 1
140 1 7 VAL HB 1 9 HIS H 0.000 . 5.000 4.568 4.562 4.585 . 0 0 "[ . 1 . 2]" 1
141 1 7 VAL QG 1 8 CYS HA 0.000 . 7.500 3.503 3.495 3.534 . 0 0 "[ . 1 . 2]" 1
142 1 7 VAL QG 1 8 CYS HB2 0.000 . 7.500 3.995 3.981 4.000 . 0 0 "[ . 1 . 2]" 1
143 1 7 VAL MG1 1 8 CYS H 0.000 . 4.200 3.469 3.466 3.482 . 0 0 "[ . 1 . 2]" 1
144 1 7 VAL MG1 1 9 HIS H 0.000 . 6.500 4.724 4.721 4.730 . 0 0 "[ . 1 . 2]" 1
145 1 7 VAL MG1 1 11 GLU H 0.000 . 6.500 3.980 3.950 3.989 . 0 0 "[ . 1 . 2]" 1
146 1 7 VAL MG2 1 8 CYS H 0.000 . 4.200 3.590 3.587 3.592 . 0 0 "[ . 1 . 2]" 1
147 1 7 VAL MG2 1 9 HIS H 0.000 . 6.500 4.816 4.808 4.826 . 0 0 "[ . 1 . 2]" 1
148 1 7 VAL MG2 1 11 GLU H 0.000 . 6.500 5.496 5.490 5.498 . 0 0 "[ . 1 . 2]" 1
149 1 7 VAL MG2 1 11 GLU HG3 0.000 . 6.500 5.270 5.259 5.292 . 0 0 "[ . 1 . 2]" 1
150 1 8 CYS H 1 8 CYS HB2 0.000 . 2.700 1.995 1.988 2.002 . 0 0 "[ . 1 . 2]" 1
151 1 8 CYS H 1 8 CYS HB3 0.000 . 2.700 2.768 2.766 2.771 0.071 7 0 "[ . 1 . 2]" 1
152 1 8 CYS H 1 9 HIS H 0.000 . 2.700 2.425 2.414 2.438 . 0 0 "[ . 1 . 2]" 1
153 1 8 CYS H 1 9 HIS QB 0.000 . 4.500 4.137 4.133 4.146 . 0 0 "[ . 1 . 2]" 1
154 1 8 CYS H 1 10 LEU H 0.000 . 5.000 3.791 3.748 3.817 . 0 0 "[ . 1 . 2]" 1
155 1 8 CYS HA 1 11 GLU H 0.000 . 3.500 3.513 3.466 3.520 0.020 19 0 "[ . 1 . 2]" 1
156 1 8 CYS HA 1 11 GLU HB2 0.000 . 3.500 2.678 2.575 2.711 . 0 0 "[ . 1 . 2]" 1
157 1 8 CYS HA 1 11 GLU HB3 0.000 . 5.000 4.293 4.178 4.328 . 0 0 "[ . 1 . 2]" 1
158 1 8 CYS QB 1 11 GLU H 0.000 . 6.000 5.068 5.040 5.073 . 0 0 "[ . 1 . 2]" 1
159 1 8 CYS HB2 1 9 HIS H 0.000 . 3.500 3.627 3.623 3.644 0.144 16 0 "[ . 1 . 2]" 1
160 1 8 CYS HB2 1 9 HIS QB 0.000 . 6.000 4.984 4.971 5.006 . 0 0 "[ . 1 . 2]" 1
161 1 8 CYS HB3 1 9 HIS H 0.000 . 3.500 3.102 3.094 3.134 . 0 0 "[ . 1 . 2]" 1
162 1 9 HIS H 1 9 HIS QB 0.000 . 3.700 2.170 2.163 2.182 . 0 0 "[ . 1 . 2]" 1
163 1 9 HIS H 1 10 LEU H 0.000 . 2.700 2.114 2.056 2.124 . 0 0 "[ . 1 . 2]" 1
164 1 9 HIS H 1 10 LEU HB2 0.000 . 6.000 3.683 3.549 3.701 . 0 0 "[ . 1 . 2]" 1
165 1 9 HIS H 1 10 LEU HB3 0.000 . 6.000 4.642 4.616 4.647 . 0 0 "[ . 1 . 2]" 1
166 1 9 HIS H 1 10 LEU QD 0.000 . 8.500 4.463 4.245 4.495 . 0 0 "[ . 1 . 2]" 1
167 1 9 HIS H 1 10 LEU HG 0.000 . 6.000 6.063 6.056 6.112 0.112 16 0 "[ . 1 . 2]" 1
168 1 9 HIS HA 1 10 LEU H 0.000 . 3.500 3.444 3.429 3.450 . 0 0 "[ . 1 . 2]" 1
169 1 9 HIS HA 1 10 LEU HA 0.000 . 6.000 4.867 4.844 4.872 . 0 0 "[ . 1 . 2]" 1
170 1 9 HIS HA 1 16 CYS HB2 0.000 . 5.000 4.113 4.078 4.127 . 0 0 "[ . 1 . 2]" 1
171 1 9 HIS HA 1 16 CYS HB3 0.000 . 5.000 4.081 4.039 4.094 . 0 0 "[ . 1 . 2]" 1
172 1 9 HIS QB 1 10 LEU H 0.000 . 3.700 2.732 2.729 2.740 . 0 0 "[ . 1 . 2]" 1
173 1 9 HIS QB 1 10 LEU HB2 0.000 . 6.000 4.031 3.998 4.039 . 0 0 "[ . 1 . 2]" 1
174 1 9 HIS QB 1 10 LEU HB3 0.000 . 6.000 5.225 5.220 5.238 . 0 0 "[ . 1 . 2]" 1
175 1 9 HIS QB 1 10 LEU QD 0.000 . 8.500 3.850 3.760 3.866 . 0 0 "[ . 1 . 2]" 1
176 1 9 HIS QB 1 11 GLU H 0.000 . 6.000 4.784 4.776 4.812 . 0 0 "[ . 1 . 2]" 1
177 1 9 HIS HD1 1 12 HIS H 0.000 . 5.000 4.534 4.492 4.555 . 0 0 "[ . 1 . 2]" 1
178 1 10 LEU H 1 10 LEU HB2 0.000 . 2.700 1.951 1.883 1.961 . 0 0 "[ . 1 . 2]" 1
179 1 10 LEU H 1 10 LEU HB3 0.000 . 2.700 2.779 2.771 2.804 0.104 20 0 "[ . 1 . 2]" 1
180 1 10 LEU H 1 10 LEU QD 0.000 . 4.200 3.144 3.098 3.152 . 0 0 "[ . 1 . 2]" 1
181 1 10 LEU H 1 10 LEU HG 0.000 . 5.000 4.244 4.126 4.259 . 0 0 "[ . 1 . 2]" 1
182 1 10 LEU H 1 11 GLU H 0.000 . 2.700 2.431 2.425 2.435 . 0 0 "[ . 1 . 2]" 1
183 1 10 LEU H 1 11 GLU HA 0.000 . 5.000 5.045 5.041 5.047 0.047 1 0 "[ . 1 . 2]" 1
184 1 10 LEU H 1 15 LEU QD 0.000 . 8.500 6.198 6.190 6.205 . 0 0 "[ . 1 . 2]" 1
185 1 10 LEU HA 1 10 LEU HB2 0.000 . 2.700 2.729 2.725 2.755 0.055 16 0 "[ . 1 . 2]" 1
186 1 10 LEU HA 1 10 LEU HG 0.000 . 3.500 3.432 2.177 3.572 0.072 10 0 "[ . 1 . 2]" 1
187 1 10 LEU HA 1 11 GLU H 0.000 . 3.500 3.491 3.482 3.494 . 0 0 "[ . 1 . 2]" 1
188 1 10 LEU HB2 1 11 GLU H 0.000 . 3.500 3.022 2.919 3.039 . 0 0 "[ . 1 . 2]" 1
189 1 10 LEU HB3 1 11 GLU H 0.000 . 3.500 2.196 2.164 2.206 . 0 0 "[ . 1 . 2]" 1
190 1 10 LEU QD 1 11 GLU H 0.000 . 7.500 3.595 3.559 3.757 . 0 0 "[ . 1 . 2]" 1
191 1 10 LEU QD 1 11 GLU HA 0.000 . 8.500 3.902 3.813 4.622 . 0 0 "[ . 1 . 2]" 1
192 1 11 GLU H 1 11 GLU HA 0.000 . 2.700 2.798 2.794 2.801 0.101 3 0 "[ . 1 . 2]" 1
193 1 11 GLU H 1 11 GLU HB2 0.000 . 2.700 2.357 2.323 2.369 . 0 0 "[ . 1 . 2]" 1
194 1 11 GLU H 1 11 GLU HB3 0.000 . 3.500 3.527 3.521 3.529 0.029 2 0 "[ . 1 . 2]" 1
195 1 11 GLU H 1 11 GLU HG2 0.000 . 3.500 3.521 3.518 3.527 0.027 1 0 "[ . 1 . 2]" 1
196 1 11 GLU H 1 11 GLU HG3 0.000 . 3.500 2.181 2.174 2.199 . 0 0 "[ . 1 . 2]" 1
197 1 11 GLU H 1 12 HIS QB 0.000 . 7.000 5.130 5.122 5.146 . 0 0 "[ . 1 . 2]" 1
198 1 11 GLU H 1 13 SER H 0.000 . 5.000 5.001 4.996 5.009 0.009 16 0 "[ . 1 . 2]" 1
199 1 11 GLU HA 1 11 GLU HB3 0.000 . 2.700 2.556 2.549 2.575 . 0 0 "[ . 1 . 2]" 1
200 1 11 GLU HA 1 11 GLU HG2 0.000 . 3.500 2.609 2.578 2.620 . 0 0 "[ . 1 . 2]" 1
201 1 11 GLU HA 1 11 GLU HG3 0.000 . 3.500 2.861 2.849 2.865 . 0 0 "[ . 1 . 2]" 1
202 1 11 GLU HA 1 12 HIS H 0.000 . 5.000 3.548 3.547 3.551 . 0 0 "[ . 1 . 2]" 1
203 1 11 GLU QB 1 13 SER H 0.000 . 7.000 4.949 4.933 4.980 . 0 0 "[ . 1 . 2]" 1
204 1 11 GLU HB2 1 12 HIS H 0.000 . 5.000 2.441 2.402 2.516 . 0 0 "[ . 1 . 2]" 1
205 1 11 GLU HB2 1 12 HIS HD1 0.000 . 3.500 1.861 1.738 1.915 . 0 0 "[ . 1 . 2]" 1
206 1 11 GLU HB3 1 12 HIS H 0.000 . 5.000 3.464 3.441 3.499 . 0 0 "[ . 1 . 2]" 1
207 1 11 GLU HB3 1 12 HIS HD1 0.000 . 3.500 2.206 2.090 2.623 . 0 0 "[ . 1 . 2]" 1
208 1 11 GLU HG2 1 12 HIS H 0.000 . 5.000 4.973 4.955 5.003 0.003 7 0 "[ . 1 . 2]" 1
209 1 11 GLU HG2 1 12 HIS HD1 0.000 . 6.000 4.396 4.340 4.609 . 0 0 "[ . 1 . 2]" 1
210 1 11 GLU HG3 1 12 HIS H 0.000 . 5.000 4.294 4.274 4.337 . 0 0 "[ . 1 . 2]" 1
211 1 11 GLU HG3 1 12 HIS HD1 0.000 . 6.000 4.304 4.232 4.338 . 0 0 "[ . 1 . 2]" 1
212 1 12 HIS H 1 12 HIS HB2 0.000 . 3.500 2.897 2.887 2.913 . 0 0 "[ . 1 . 2]" 1
213 1 12 HIS H 1 12 HIS HB3 0.000 . 3.500 3.628 3.623 3.639 0.139 7 0 "[ . 1 . 2]" 1
214 1 12 HIS H 1 12 HIS HD1 0.000 . 5.000 2.032 1.754 2.125 . 0 0 "[ . 1 . 2]" 1
215 1 12 HIS H 1 13 SER H 0.000 . 3.500 3.445 3.408 3.463 . 0 0 "[ . 1 . 2]" 1
216 1 12 HIS H 1 13 SER HA 0.000 . 5.000 4.826 4.781 4.846 . 0 0 "[ . 1 . 2]" 1
217 1 12 HIS HA 1 12 HIS HB3 0.000 . 2.700 2.181 2.171 2.185 . 0 0 "[ . 1 . 2]" 1
218 1 12 HIS HA 1 12 HIS HD1 0.000 . 3.500 3.225 3.127 3.522 0.022 16 0 "[ . 1 . 2]" 1
219 1 12 HIS HA 1 13 SER H 0.000 . 2.700 2.415 2.399 2.422 . 0 0 "[ . 1 . 2]" 1
220 1 12 HIS HA 1 13 SER HA 0.000 . 5.000 4.490 4.487 4.495 . 0 0 "[ . 1 . 2]" 1
221 1 12 HIS HA 1 16 CYS H 0.000 . 5.000 5.095 5.091 5.097 0.097 1 0 "[ . 1 . 2]" 1
222 1 12 HIS HB2 1 12 HIS HD1 0.000 . 3.500 3.416 3.097 3.509 0.009 19 0 "[ . 1 . 2]" 1
223 1 12 HIS HB2 1 13 SER H 0.000 . 5.000 4.395 4.392 4.404 . 0 0 "[ . 1 . 2]" 1
224 1 12 HIS HB2 1 15 LEU HB2 0.000 . 5.000 4.698 4.681 4.704 . 0 0 "[ . 1 . 2]" 1
225 1 12 HIS HB2 1 15 LEU HB3 0.000 . 5.000 5.089 5.086 5.091 0.091 5 0 "[ . 1 . 2]" 1
226 1 12 HIS HB2 1 15 LEU MD1 0.000 . 7.500 1.987 1.984 1.997 . 0 0 "[ . 1 . 2]" 1
227 1 12 HIS HB2 1 15 LEU MD2 0.000 . 7.500 3.188 3.183 3.205 . 0 0 "[ . 1 . 2]" 1
228 1 12 HIS HB2 1 15 LEU HG 0.000 . 5.000 2.935 2.915 2.942 . 0 0 "[ . 1 . 2]" 1
229 1 12 HIS HB3 1 12 HIS HD1 0.000 . 3.500 3.552 3.532 3.607 0.107 7 0 "[ . 1 . 2]" 1
230 1 12 HIS HB3 1 13 SER H 0.000 . 5.000 4.236 4.224 4.243 . 0 0 "[ . 1 . 2]" 1
231 1 12 HIS HB3 1 15 LEU HB2 0.000 . 5.000 4.583 4.571 4.592 . 0 0 "[ . 1 . 2]" 1
232 1 12 HIS HB3 1 15 LEU HB3 0.000 . 5.000 4.370 4.363 4.383 . 0 0 "[ . 1 . 2]" 1
233 1 12 HIS HB3 1 15 LEU MD1 0.000 . 6.500 2.104 2.093 2.115 . 0 0 "[ . 1 . 2]" 1
234 1 12 HIS HB3 1 15 LEU MD2 0.000 . 6.500 1.917 1.911 1.936 . 0 0 "[ . 1 . 2]" 1
235 1 12 HIS HB3 1 15 LEU HG 0.000 . 5.000 2.537 2.499 2.555 . 0 0 "[ . 1 . 2]" 1
236 1 12 HIS HD1 1 15 LEU MD1 0.000 . 6.500 4.579 4.386 4.634 . 0 0 "[ . 1 . 2]" 1
237 1 12 HIS HD1 1 15 LEU MD2 0.000 . 6.500 4.707 4.647 4.882 . 0 0 "[ . 1 . 2]" 1
238 1 13 SER H 1 13 SER HA 0.000 . 2.700 2.893 2.892 2.894 0.194 7 0 "[ . 1 . 2]" 1
239 1 13 SER H 1 13 SER HB2 0.000 . 2.700 2.595 2.593 2.600 . 0 0 "[ . 1 . 2]" 1
240 1 13 SER H 1 13 SER HB3 0.000 . 2.700 2.717 2.714 2.719 0.019 14 0 "[ . 1 . 2]" 1
241 1 13 SER H 1 14 ASN H 0.000 . 3.500 2.438 2.436 2.439 . 0 0 "[ . 1 . 2]" 1
242 1 13 SER H 1 14 ASN HA 0.000 . 5.000 4.664 4.662 4.666 . 0 0 "[ . 1 . 2]" 1
243 1 13 SER H 1 14 ASN QB 0.000 . 3.700 3.521 3.517 3.526 . 0 0 "[ . 1 . 2]" 1
244 1 13 SER H 1 15 LEU QB 0.000 . 7.000 6.322 6.319 6.324 . 0 0 "[ . 1 . 2]" 1
245 1 13 SER H 1 15 LEU MD1 0.000 . 6.500 5.156 5.149 5.176 . 0 0 "[ . 1 . 2]" 1
246 1 13 SER H 1 15 LEU MD2 0.000 . 6.500 4.387 4.360 4.426 . 0 0 "[ . 1 . 2]" 1
247 1 13 SER HA 1 14 ASN H 0.000 . 5.000 2.954 2.951 2.958 . 0 0 "[ . 1 . 2]" 1
248 1 13 SER HA 1 16 CYS H 0.000 . 3.500 3.476 3.451 3.488 . 0 0 "[ . 1 . 2]" 1
249 1 13 SER HB2 1 14 ASN H 0.000 . 5.000 4.330 4.328 4.333 . 0 0 "[ . 1 . 2]" 1
250 1 13 SER HB3 1 14 ASN H 0.000 . 5.000 3.877 3.874 3.879 . 0 0 "[ . 1 . 2]" 1
251 1 14 ASN H 1 14 ASN QB 0.000 . 3.700 2.038 2.026 2.050 . 0 0 "[ . 1 . 2]" 1
252 1 14 ASN H 1 15 LEU H 0.000 . 3.500 2.213 2.203 2.220 . 0 0 "[ . 1 . 2]" 1
253 1 14 ASN H 1 15 LEU HA 0.000 . 5.000 4.802 4.793 4.807 . 0 0 "[ . 1 . 2]" 1
254 1 14 ASN H 1 15 LEU HB2 0.000 . 5.000 5.083 5.078 5.086 0.086 14 0 "[ . 1 . 2]" 1
255 1 14 ASN H 1 15 LEU HB3 0.000 . 5.000 5.106 5.102 5.114 0.114 16 0 "[ . 1 . 2]" 1
256 1 14 ASN H 1 15 LEU MD1 0.000 . 7.500 4.248 4.242 4.268 . 0 0 "[ . 1 . 2]" 1
257 1 14 ASN H 1 15 LEU HG 0.000 . 5.000 2.760 2.755 2.769 . 0 0 "[ . 1 . 2]" 1
258 1 14 ASN H 1 16 CYS HB2 0.000 . 5.000 5.043 5.035 5.048 0.048 20 0 "[ . 1 . 2]" 1
259 1 14 ASN H 1 16 CYS HB3 0.000 . 5.000 5.103 5.094 5.112 0.112 7 0 "[ . 1 . 2]" 1
260 1 14 ASN HA 1 15 LEU H 0.000 . 3.500 3.399 3.396 3.402 . 0 0 "[ . 1 . 2]" 1
261 1 14 ASN QB 1 15 LEU H 0.000 . 4.500 1.968 1.958 1.983 . 0 0 "[ . 1 . 2]" 1
262 1 14 ASN QB 1 15 LEU HB2 0.000 . 7.000 5.151 5.140 5.162 . 0 0 "[ . 1 . 2]" 1
263 1 14 ASN QB 1 15 LEU HB3 0.000 . 7.000 4.513 4.500 4.532 . 0 0 "[ . 1 . 2]" 1
264 1 14 ASN QB 1 15 LEU MD2 0.000 . 8.500 2.117 2.111 2.121 . 0 0 "[ . 1 . 2]" 1
265 1 15 LEU H 1 15 LEU HA 0.000 . 2.700 2.758 2.756 2.760 0.060 13 0 "[ . 1 . 2]" 1
266 1 15 LEU H 1 15 LEU HB2 0.000 . 3.500 3.444 3.441 3.446 . 0 0 "[ . 1 . 2]" 1
267 1 15 LEU H 1 15 LEU HB3 0.000 . 3.500 3.058 3.051 3.069 . 0 0 "[ . 1 . 2]" 1
268 1 15 LEU H 1 15 LEU MD1 0.000 . 4.200 3.552 3.550 3.554 . 0 0 "[ . 1 . 2]" 1
269 1 15 LEU H 1 15 LEU MD2 0.000 . 4.200 2.009 1.996 2.024 . 0 0 "[ . 1 . 2]" 1
270 1 15 LEU H 1 15 LEU HG 0.000 . 2.700 1.832 1.825 1.840 . 0 0 "[ . 1 . 2]" 1
271 1 15 LEU HA 1 15 LEU HG 0.000 . 3.500 3.544 3.542 3.546 0.046 7 0 "[ . 1 . 2]" 1
272 1 15 LEU HB2 1 15 LEU HG 0.000 . 2.700 2.574 2.570 2.578 . 0 0 "[ . 1 . 2]" 1
273 1 15 LEU HB3 1 15 LEU HG 0.000 . 2.700 2.838 2.836 2.839 0.139 17 0 "[ . 1 . 2]" 1
274 1 16 CYS H 1 16 CYS HA 0.000 . 2.700 2.883 2.881 2.885 0.185 1 0 "[ . 1 . 2]" 1
275 1 16 CYS H 1 16 CYS HB2 0.000 . 2.700 2.176 2.173 2.180 . 0 0 "[ . 1 . 2]" 1
276 1 16 CYS H 1 16 CYS HB3 0.000 . 2.700 2.799 2.795 2.803 0.103 7 0 "[ . 1 . 2]" 1
277 1 16 CYS HA 1 16 CYS HB2 0.000 . 2.700 2.709 2.705 2.711 0.011 14 0 "[ . 1 . 2]" 1
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