NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
373612 |
1dw5   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1dw5
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 270
_Distance_constraint_stats_list.Viol_count 586
_Distance_constraint_stats_list.Viol_total 1035.319
_Distance_constraint_stats_list.Viol_max 0.241
_Distance_constraint_stats_list.Viol_rms 0.0268
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0061
_Distance_constraint_stats_list.Viol_average_violations_only 0.0707
_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 CYS 0.473 0.058 6 0 "[ . 1 . 2 .]"
1 2 LYS 1.575 0.102 6 0 "[ . 1 . 2 .]"
1 3 GLY 0.261 0.044 25 0 "[ . 1 . 2 .]"
1 4 LYS 10.029 0.228 11 0 "[ . 1 . 2 .]"
1 5 GLY 6.814 0.241 22 0 "[ . 1 . 2 .]"
1 6 ALA 2.001 0.144 19 0 "[ . 1 . 2 .]"
1 7 LYS 10.652 0.241 22 0 "[ . 1 . 2 .]"
1 8 CYS 8.010 0.240 13 0 "[ . 1 . 2 .]"
1 9 SER 1.547 0.204 18 0 "[ . 1 . 2 .]"
1 10 ARG 2.006 0.204 18 0 "[ . 1 . 2 .]"
1 11 LEU 0.697 0.123 10 0 "[ . 1 . 2 .]"
1 12 MET 0.138 0.054 25 0 "[ . 1 . 2 .]"
1 13 TYR 0.035 0.010 12 0 "[ . 1 . 2 .]"
1 14 ASP 0.434 0.063 5 0 "[ . 1 . 2 .]"
1 15 CYS 6.531 0.219 9 0 "[ . 1 . 2 .]"
1 16 CYS 6.461 0.219 9 0 "[ . 1 . 2 .]"
1 17 THR 0.456 0.161 20 0 "[ . 1 . 2 .]"
1 18 GLY 0.335 0.161 20 0 "[ . 1 . 2 .]"
1 19 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 20 CYS 1.666 0.156 24 0 "[ . 1 . 2 .]"
1 21 ARG 1.688 0.175 19 0 "[ . 1 . 2 .]"
1 22 SER 1.303 0.175 19 0 "[ . 1 . 2 .]"
1 23 GLY 1.103 0.240 13 0 "[ . 1 . 2 .]"
1 24 LYS 2.384 0.138 23 0 "[ . 1 . 2 .]"
1 25 CYS 3.125 0.144 19 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 CYS HA 1 1 CYS HB2 3.000 . 3.000 2.606 2.475 2.650 . 0 0 "[ . 1 . 2 .]" 1
2 1 1 CYS HA 1 2 LYS H 3.000 . 3.000 2.399 2.260 2.579 . 0 0 "[ . 1 . 2 .]" 1
3 1 1 CYS HA 1 14 ASP QB 3.700 . 4.700 4.026 3.804 4.306 . 0 0 "[ . 1 . 2 .]" 1
4 1 1 CYS HA 1 16 CYS H 4.700 . 4.700 4.604 4.288 4.745 0.045 19 0 "[ . 1 . 2 .]" 1
5 1 1 CYS HB2 1 2 LYS H 3.300 . 3.300 2.616 2.185 3.017 . 0 0 "[ . 1 . 2 .]" 1
6 1 1 CYS HB2 1 2 LYS HA 4.700 . 4.700 4.606 4.367 4.758 0.058 6 0 "[ . 1 . 2 .]" 1
7 1 1 CYS HB3 1 2 LYS H 4.000 . 4.000 3.679 3.441 3.957 . 0 0 "[ . 1 . 2 .]" 1
8 1 1 CYS HB3 1 16 CYS HA 3.300 . 3.300 2.741 2.413 3.009 . 0 0 "[ . 1 . 2 .]" 1
9 1 2 LYS H 1 2 LYS HB2 3.300 . 3.300 2.304 2.168 2.601 . 0 0 "[ . 1 . 2 .]" 1
10 1 2 LYS H 1 2 LYS HB3 3.700 . 3.700 3.572 3.491 3.751 0.051 22 0 "[ . 1 . 2 .]" 1
11 1 2 LYS H 1 2 LYS QD 4.700 . 5.700 3.608 1.860 4.788 . 0 0 "[ . 1 . 2 .]" 1
12 1 2 LYS H 1 2 LYS HG2 4.000 . 4.000 3.495 2.413 4.047 0.047 14 0 "[ . 1 . 2 .]" 1
13 1 2 LYS H 1 2 LYS HG3 3.700 . 4.000 3.936 3.655 4.077 0.077 6 0 "[ . 1 . 2 .]" 1
14 1 2 LYS H 1 3 GLY H 4.700 . 4.700 4.546 4.376 4.662 . 0 0 "[ . 1 . 2 .]" 1
15 1 2 LYS H 1 14 ASP HA 4.700 . 4.700 4.156 3.677 4.689 . 0 0 "[ . 1 . 2 .]" 1
16 1 2 LYS H 1 14 ASP QB 4.700 . 5.700 3.375 2.665 3.769 . 0 0 "[ . 1 . 2 .]" 1
17 1 2 LYS H 1 15 CYS HA 3.700 . 3.700 3.052 2.576 3.485 . 0 0 "[ . 1 . 2 .]" 1
18 1 2 LYS H 1 16 CYS H 4.000 . 4.000 2.860 2.181 3.418 . 0 0 "[ . 1 . 2 .]" 1
19 1 2 LYS H 1 16 CYS HA 4.700 . 4.700 4.101 3.602 4.668 . 0 0 "[ . 1 . 2 .]" 1
20 1 2 LYS HA 1 2 LYS HD2 3.300 . 3.700 3.116 2.136 3.768 0.068 17 0 "[ . 1 . 2 .]" 1
21 1 2 LYS HA 1 2 LYS HD3 3.700 . 3.700 2.961 1.874 3.802 0.102 6 0 "[ . 1 . 2 .]" 1
22 1 2 LYS HA 1 2 LYS QE 4.000 . 5.000 3.726 1.775 4.540 . 0 0 "[ . 1 . 2 .]" 1
23 1 2 LYS HA 1 2 LYS HG2 3.700 . 3.700 2.838 1.989 3.621 . 0 0 "[ . 1 . 2 .]" 1
24 1 2 LYS HA 1 2 LYS HG3 3.700 . 3.700 3.131 2.249 3.723 0.023 24 0 "[ . 1 . 2 .]" 1
25 1 2 LYS HA 1 3 GLY H 3.000 . 3.000 2.543 2.368 2.773 . 0 0 "[ . 1 . 2 .]" 1
26 1 2 LYS HA 1 6 ALA MB 4.000 . 5.000 3.865 3.441 4.245 . 0 0 "[ . 1 . 2 .]" 1
27 1 2 LYS HA 1 16 CYS H 4.700 . 4.700 4.298 3.863 4.687 . 0 0 "[ . 1 . 2 .]" 1
28 1 2 LYS HB2 1 3 GLY H 4.000 . 4.000 3.660 2.951 4.017 0.017 6 0 "[ . 1 . 2 .]" 1
29 1 2 LYS HB2 1 15 CYS HA 3.300 . 3.300 2.668 2.156 3.072 . 0 0 "[ . 1 . 2 .]" 1
30 1 2 LYS HB2 1 16 CYS H 4.000 . 4.000 3.670 3.292 4.004 0.004 25 0 "[ . 1 . 2 .]" 1
31 1 2 LYS HB3 1 3 GLY H 3.700 . 3.700 2.300 1.842 2.704 . 0 0 "[ . 1 . 2 .]" 1
32 1 2 LYS HB3 1 15 CYS HA 3.700 . 3.700 3.609 3.276 3.782 0.082 5 0 "[ . 1 . 2 .]" 1
33 1 2 LYS HB3 1 16 CYS H 4.700 . 4.700 4.324 4.096 4.543 . 0 0 "[ . 1 . 2 .]" 1
34 1 2 LYS HE2 1 2 LYS HG2 3.700 . 4.700 3.103 2.160 3.862 . 0 0 "[ . 1 . 2 .]" 1
35 1 2 LYS HE2 1 2 LYS HG3 3.700 . 4.700 3.042 1.929 4.115 . 0 0 "[ . 1 . 2 .]" 1
36 1 2 LYS HG2 1 3 GLY H 4.700 . 4.700 4.376 3.670 4.702 0.002 4 0 "[ . 1 . 2 .]" 1
37 1 2 LYS HG3 1 3 GLY H 4.700 . 4.700 4.195 3.391 4.741 0.041 23 0 "[ . 1 . 2 .]" 1
38 1 3 GLY H 1 3 GLY HA3 3.000 . 3.000 2.503 2.396 2.651 . 0 0 "[ . 1 . 2 .]" 1
39 1 3 GLY H 1 4 LYS H 4.700 . 4.700 4.544 4.443 4.636 . 0 0 "[ . 1 . 2 .]" 1
40 1 3 GLY H 1 6 ALA MB 3.700 . 4.700 2.421 2.009 2.891 . 0 0 "[ . 1 . 2 .]" 1
41 1 3 GLY H 1 16 CYS H 4.700 . 4.700 4.480 4.109 4.744 0.044 25 0 "[ . 1 . 2 .]" 1
42 1 3 GLY HA2 1 4 LYS H 3.300 . 3.300 2.439 2.343 2.665 . 0 0 "[ . 1 . 2 .]" 1
43 1 3 GLY HA2 1 16 CYS H 4.700 . 4.700 3.368 3.036 3.851 . 0 0 "[ . 1 . 2 .]" 1
44 1 3 GLY HA2 1 16 CYS HB2 4.700 . 4.700 3.742 3.426 4.152 . 0 0 "[ . 1 . 2 .]" 1
45 1 3 GLY HA2 1 16 CYS HB3 4.700 . 4.700 3.519 2.874 4.145 . 0 0 "[ . 1 . 2 .]" 1
46 1 3 GLY HA3 1 4 LYS H 3.300 . 3.300 2.843 2.613 2.960 . 0 0 "[ . 1 . 2 .]" 1
47 1 4 LYS H 1 4 LYS HB2 3.300 . 3.300 2.517 2.083 3.516 0.216 8 0 "[ . 1 . 2 .]" 1
48 1 4 LYS H 1 4 LYS HB3 3.300 . 3.300 3.020 2.144 3.509 0.209 4 0 "[ . 1 . 2 .]" 1
49 1 4 LYS H 1 4 LYS HG2 4.000 . 4.000 3.735 2.712 4.145 0.145 2 0 "[ . 1 . 2 .]" 1
50 1 4 LYS H 1 4 LYS HG3 4.000 . 4.000 3.620 2.875 4.084 0.084 22 0 "[ . 1 . 2 .]" 1
51 1 4 LYS H 1 5 GLY H 4.700 . 4.700 4.643 4.611 4.676 . 0 0 "[ . 1 . 2 .]" 1
52 1 4 LYS H 1 6 ALA H 4.700 . 4.700 4.605 4.473 4.753 0.053 13 0 "[ . 1 . 2 .]" 1
53 1 4 LYS H 1 25 CYS HB3 4.700 . 4.700 3.972 3.550 4.341 . 0 0 "[ . 1 . 2 .]" 1
54 1 4 LYS HA 1 4 LYS HG2 3.700 . 3.700 2.683 1.926 3.717 0.017 22 0 "[ . 1 . 2 .]" 1
55 1 4 LYS HA 1 4 LYS HG3 3.700 . 3.700 2.913 2.115 3.767 0.067 8 0 "[ . 1 . 2 .]" 1
56 1 4 LYS HA 1 5 GLY H 3.000 . 3.000 2.296 2.203 2.408 . 0 0 "[ . 1 . 2 .]" 1
57 1 4 LYS HA 1 5 GLY QA 4.700 . 5.700 4.051 4.006 4.105 . 0 0 "[ . 1 . 2 .]" 1
58 1 4 LYS HA 1 6 ALA H 4.000 . 4.000 3.240 3.128 3.390 . 0 0 "[ . 1 . 2 .]" 1
59 1 4 LYS HA 1 25 CYS H 4.700 . 4.700 4.231 3.764 4.713 0.013 2 0 "[ . 1 . 2 .]" 1
60 1 4 LYS HA 1 25 CYS HB2 3.300 . 3.300 3.077 2.597 3.355 0.055 9 0 "[ . 1 . 2 .]" 1
61 1 4 LYS HA 1 25 CYS HB3 3.700 . 3.700 2.076 1.842 2.616 . 0 0 "[ . 1 . 2 .]" 1
62 1 4 LYS HB2 1 5 GLY H 4.000 . 4.000 3.776 2.810 4.228 0.228 11 0 "[ . 1 . 2 .]" 1
63 1 4 LYS HB3 1 5 GLY H 4.000 . 4.000 3.355 2.599 4.171 0.171 22 0 "[ . 1 . 2 .]" 1
64 1 4 LYS HG2 1 5 GLY H 4.000 . 4.000 3.239 2.351 4.091 0.091 22 0 "[ . 1 . 2 .]" 1
65 1 4 LYS HG3 1 5 GLY H 4.000 . 4.000 3.854 3.014 4.112 0.112 24 0 "[ . 1 . 2 .]" 1
66 1 5 GLY H 1 5 GLY HA2 3.000 . 3.700 2.381 2.343 2.426 . 0 0 "[ . 1 . 2 .]" 1
67 1 5 GLY H 1 6 ALA H 3.700 . 3.700 2.808 2.680 2.926 . 0 0 "[ . 1 . 2 .]" 1
68 1 5 GLY H 1 6 ALA MB 4.700 . 5.700 4.482 4.358 4.658 . 0 0 "[ . 1 . 2 .]" 1
69 1 5 GLY H 1 7 LYS H 4.700 . 4.700 4.608 4.063 4.941 0.241 22 0 "[ . 1 . 2 .]" 1
70 1 5 GLY H 1 25 CYS H 4.000 . 4.000 3.376 2.822 3.839 . 0 0 "[ . 1 . 2 .]" 1
71 1 5 GLY H 1 25 CYS HB2 3.700 . 3.700 3.370 3.009 3.684 . 0 0 "[ . 1 . 2 .]" 1
72 1 5 GLY H 1 25 CYS HB3 4.000 . 4.000 3.432 2.866 3.843 . 0 0 "[ . 1 . 2 .]" 1
73 1 5 GLY QA 1 6 ALA MB 3.700 . 5.700 4.222 4.113 4.289 . 0 0 "[ . 1 . 2 .]" 1
74 1 5 GLY QA 1 25 CYS H 4.700 . 5.700 3.850 3.117 4.713 . 0 0 "[ . 1 . 2 .]" 1
75 1 5 GLY HA2 1 6 ALA H 4.000 . 4.000 3.358 3.038 3.511 . 0 0 "[ . 1 . 2 .]" 1
76 1 5 GLY HA3 1 6 ALA H 3.300 . 4.000 3.170 2.879 3.488 . 0 0 "[ . 1 . 2 .]" 1
77 1 6 ALA H 1 6 ALA MB 3.300 . 3.900 2.231 2.097 2.279 . 0 0 "[ . 1 . 2 .]" 1
78 1 6 ALA H 1 7 LYS H 4.700 . 4.700 3.403 2.829 3.967 . 0 0 "[ . 1 . 2 .]" 1
79 1 6 ALA H 1 25 CYS H 4.000 . 4.000 3.310 2.187 4.018 0.018 24 0 "[ . 1 . 2 .]" 1
80 1 6 ALA H 1 25 CYS HB2 3.700 . 3.700 2.417 1.874 2.873 . 0 0 "[ . 1 . 2 .]" 1
81 1 6 ALA H 1 25 CYS HB3 4.000 . 4.000 3.332 2.819 3.805 . 0 0 "[ . 1 . 2 .]" 1
82 1 6 ALA HA 1 7 LYS H 3.000 . 3.000 2.747 2.319 3.118 0.118 1 0 "[ . 1 . 2 .]" 1
83 1 6 ALA HA 1 7 LYS QB 4.700 . 5.700 4.099 3.729 4.510 . 0 0 "[ . 1 . 2 .]" 1
84 1 6 ALA HA 1 25 CYS H 4.700 . 4.700 4.727 4.406 4.844 0.144 19 0 "[ . 1 . 2 .]" 1
85 1 6 ALA MB 1 7 LYS H 3.700 . 5.000 3.632 3.494 3.695 . 0 0 "[ . 1 . 2 .]" 1
86 1 6 ALA MB 1 25 CYS H 4.000 . 5.000 3.789 2.749 4.080 . 0 0 "[ . 1 . 2 .]" 1
87 1 7 LYS H 1 7 LYS QB 3.000 . 3.600 2.654 2.190 2.965 . 0 0 "[ . 1 . 2 .]" 1
88 1 7 LYS H 1 7 LYS HG2 3.700 . 3.700 3.411 2.852 3.905 0.205 1 0 "[ . 1 . 2 .]" 1
89 1 7 LYS H 1 7 LYS HG3 3.700 . 4.000 4.078 3.788 4.154 0.154 5 0 "[ . 1 . 2 .]" 1
90 1 7 LYS H 1 24 LYS HA 4.700 . 4.700 3.542 2.447 4.414 . 0 0 "[ . 1 . 2 .]" 1
91 1 7 LYS H 1 25 CYS H 4.700 . 4.700 3.115 2.297 3.885 . 0 0 "[ . 1 . 2 .]" 1
92 1 7 LYS HA 1 8 CYS H 2.700 . 2.700 2.359 2.232 2.740 0.040 10 0 "[ . 1 . 2 .]" 1
93 1 7 LYS HA 1 24 LYS HA 3.700 . 3.700 1.818 1.713 2.358 . 0 0 "[ . 1 . 2 .]" 1
94 1 7 LYS HA 1 24 LYS QB 4.700 . 5.700 2.689 1.799 3.960 . 0 0 "[ . 1 . 2 .]" 1
95 1 7 LYS HA 1 24 LYS HG2 4.700 . 4.700 2.664 1.860 4.543 . 0 0 "[ . 1 . 2 .]" 1
96 1 7 LYS HA 1 24 LYS HG3 4.700 . 4.700 3.427 2.347 4.665 . 0 0 "[ . 1 . 2 .]" 1
97 1 7 LYS HA 1 25 CYS H 4.000 . 4.000 2.993 2.238 4.084 0.084 10 0 "[ . 1 . 2 .]" 1
98 1 7 LYS QB 1 8 CYS H 4.000 . 5.000 2.994 2.649 4.005 . 0 0 "[ . 1 . 2 .]" 1
99 1 7 LYS QE 1 7 LYS QG 3.300 . 4.500 2.198 1.951 2.802 . 0 0 "[ . 1 . 2 .]" 1
100 1 7 LYS HG2 1 8 CYS H 4.000 . 4.000 3.315 2.555 4.213 0.213 10 0 "[ . 1 . 2 .]" 1
101 1 7 LYS HG3 1 8 CYS H 4.000 . 4.000 4.074 3.626 4.170 0.170 16 0 "[ . 1 . 2 .]" 1
102 1 8 CYS H 1 8 CYS HB2 4.000 . 4.000 3.998 3.614 4.131 0.131 19 0 "[ . 1 . 2 .]" 1
103 1 8 CYS H 1 8 CYS HB3 4.000 . 4.000 3.358 2.483 3.560 . 0 0 "[ . 1 . 2 .]" 1
104 1 8 CYS H 1 9 SER H 4.700 . 4.700 4.318 4.142 4.396 . 0 0 "[ . 1 . 2 .]" 1
105 1 8 CYS H 1 23 GLY HA2 4.000 . 4.700 4.480 3.682 4.732 0.032 1 0 "[ . 1 . 2 .]" 1
106 1 8 CYS H 1 23 GLY HA3 4.700 . 4.700 4.630 3.967 4.940 0.240 13 0 "[ . 1 . 2 .]" 1
107 1 8 CYS H 1 24 LYS H 4.700 . 4.700 4.585 4.314 4.798 0.098 25 0 "[ . 1 . 2 .]" 1
108 1 8 CYS H 1 24 LYS HA 3.700 . 3.700 2.310 1.799 3.393 . 0 0 "[ . 1 . 2 .]" 1
109 1 8 CYS H 1 25 CYS H 4.700 . 4.700 3.934 2.581 4.726 0.026 20 0 "[ . 1 . 2 .]" 1
110 1 8 CYS HA 1 9 SER H 3.300 . 3.300 2.825 2.545 3.051 . 0 0 "[ . 1 . 2 .]" 1
111 1 8 CYS HA 1 9 SER QB 4.700 . 5.700 4.331 3.982 4.791 . 0 0 "[ . 1 . 2 .]" 1
112 1 8 CYS HB2 1 9 SER H 3.300 . 3.300 1.963 1.822 2.326 . 0 0 "[ . 1 . 2 .]" 1
113 1 8 CYS HB2 1 14 ASP QB 4.700 . 5.700 4.373 2.956 4.999 . 0 0 "[ . 1 . 2 .]" 1
114 1 8 CYS HB2 1 20 CYS HA 4.700 . 4.700 4.717 4.105 4.856 0.156 24 0 "[ . 1 . 2 .]" 1
115 1 8 CYS HB3 1 9 SER H 4.000 . 4.000 3.497 3.383 3.775 . 0 0 "[ . 1 . 2 .]" 1
116 1 8 CYS HB3 1 14 ASP QB 4.700 . 5.700 4.628 3.825 5.127 . 0 0 "[ . 1 . 2 .]" 1
117 1 8 CYS HB3 1 24 LYS HA 4.700 . 4.700 4.124 3.154 4.691 . 0 0 "[ . 1 . 2 .]" 1
118 1 8 CYS HB3 1 25 CYS H 4.000 . 4.000 3.780 2.960 4.021 0.021 24 0 "[ . 1 . 2 .]" 1
119 1 9 SER H 1 9 SER HB2 3.700 . 4.000 2.698 2.198 3.701 . 0 0 "[ . 1 . 2 .]" 1
120 1 9 SER H 1 9 SER HB3 4.000 . 4.000 2.962 2.261 3.745 . 0 0 "[ . 1 . 2 .]" 1
121 1 9 SER H 1 12 MET QB 4.700 . 5.700 3.184 2.309 3.832 . 0 0 "[ . 1 . 2 .]" 1
122 1 9 SER HA 1 10 ARG H 3.300 . 3.300 3.233 2.807 3.504 0.204 18 0 "[ . 1 . 2 .]" 1
123 1 9 SER QB 1 11 LEU H 4.700 . 5.700 3.850 2.486 5.163 . 0 0 "[ . 1 . 2 .]" 1
124 1 9 SER HB2 1 10 ARG H 4.000 . 4.000 2.936 1.903 4.042 0.042 9 0 "[ . 1 . 2 .]" 1
125 1 9 SER HB2 1 12 MET QB 4.700 . 5.700 3.905 1.908 5.033 . 0 0 "[ . 1 . 2 .]" 1
126 1 9 SER HB2 1 12 MET HG2 4.000 . 4.700 3.473 2.113 4.647 . 0 0 "[ . 1 . 2 .]" 1
127 1 9 SER HB2 1 12 MET HG3 4.000 . 4.700 2.955 1.859 4.714 0.014 24 0 "[ . 1 . 2 .]" 1
128 1 9 SER HB3 1 10 ARG H 4.000 . 4.000 2.265 1.842 3.791 . 0 0 "[ . 1 . 2 .]" 1
129 1 9 SER HB3 1 12 MET QB 4.700 . 5.700 3.751 1.940 5.063 . 0 0 "[ . 1 . 2 .]" 1
130 1 9 SER HB3 1 12 MET HG2 4.700 . 4.700 3.227 1.870 4.699 . 0 0 "[ . 1 . 2 .]" 1
131 1 9 SER HB3 1 12 MET HG3 4.700 . 4.700 3.039 1.867 4.754 0.054 25 0 "[ . 1 . 2 .]" 1
132 1 10 ARG H 1 10 ARG QB 3.300 . 3.900 2.583 2.121 3.135 . 0 0 "[ . 1 . 2 .]" 1
133 1 10 ARG H 1 10 ARG QG 4.000 . 5.000 3.663 2.222 4.322 . 0 0 "[ . 1 . 2 .]" 1
134 1 10 ARG H 1 11 LEU H 4.000 . 4.000 2.904 1.875 4.123 0.123 10 0 "[ . 1 . 2 .]" 1
135 1 10 ARG HA 1 20 CYS HB2 3.300 . 3.300 3.115 2.481 3.371 0.071 15 0 "[ . 1 . 2 .]" 1
136 1 10 ARG HA 1 20 CYS HB3 3.700 . 3.700 2.762 1.809 3.395 . 0 0 "[ . 1 . 2 .]" 1
137 1 10 ARG QB 1 10 ARG HE 4.000 . 5.000 3.474 2.019 4.304 . 0 0 "[ . 1 . 2 .]" 1
138 1 10 ARG QB 1 11 LEU H 3.700 . 4.700 2.844 1.755 3.988 . 0 0 "[ . 1 . 2 .]" 1
139 1 11 LEU H 1 11 LEU QB 3.300 . 4.300 2.725 2.205 3.378 . 0 0 "[ . 1 . 2 .]" 1
140 1 11 LEU H 1 11 LEU QD 4.000 . 5.700 3.135 1.864 4.042 . 0 0 "[ . 1 . 2 .]" 1
141 1 11 LEU H 1 11 LEU HG 3.700 . 4.100 3.968 3.147 4.209 0.109 10 0 "[ . 1 . 2 .]" 1
142 1 11 LEU H 1 12 MET H 3.700 . 3.700 2.812 1.863 3.697 . 0 0 "[ . 1 . 2 .]" 1
143 1 11 LEU HA 1 11 LEU MD1 4.000 . 4.000 3.143 1.995 3.629 . 0 0 "[ . 1 . 2 .]" 1
144 1 11 LEU HA 1 11 LEU MD2 3.300 . 4.000 3.005 1.856 3.405 . 0 0 "[ . 1 . 2 .]" 1
145 1 11 LEU HA 1 12 MET H 4.000 . 4.000 2.793 2.301 3.442 . 0 0 "[ . 1 . 2 .]" 1
146 1 11 LEU HA 1 13 TYR H 4.700 . 4.700 3.305 3.012 3.944 . 0 0 "[ . 1 . 2 .]" 1
147 1 11 LEU HA 1 13 TYR QD 4.000 . 6.000 4.195 2.437 4.887 . 0 0 "[ . 1 . 2 .]" 1
148 1 11 LEU HA 1 13 TYR QE 3.000 . 5.000 4.005 2.733 4.872 . 0 0 "[ . 1 . 2 .]" 1
149 1 11 LEU HA 1 20 CYS H 4.700 . 4.700 4.399 3.603 4.717 0.017 16 0 "[ . 1 . 2 .]" 1
150 1 11 LEU QB 1 11 LEU MD1 3.000 . 5.500 2.035 1.866 2.209 . 0 0 "[ . 1 . 2 .]" 1
151 1 11 LEU QD 1 13 TYR QE 4.000 . 8.400 2.625 1.935 3.653 . 0 0 "[ . 1 . 2 .]" 1
152 1 12 MET H 1 12 MET QB 3.700 . 4.300 2.333 2.087 3.435 . 0 0 "[ . 1 . 2 .]" 1
153 1 12 MET H 1 12 MET QG 4.700 . 5.700 3.086 2.280 4.043 . 0 0 "[ . 1 . 2 .]" 1
154 1 12 MET H 1 13 TYR H 4.000 . 4.000 2.396 1.897 3.646 . 0 0 "[ . 1 . 2 .]" 1
155 1 12 MET HA 1 12 MET HG2 3.700 . 3.700 2.532 1.919 3.722 0.022 25 0 "[ . 1 . 2 .]" 1
156 1 12 MET HA 1 12 MET HG3 3.000 . 3.700 3.421 2.350 3.727 0.027 2 0 "[ . 1 . 2 .]" 1
157 1 12 MET HA 1 13 TYR H 3.700 . 3.700 3.450 3.345 3.588 . 0 0 "[ . 1 . 2 .]" 1
158 1 12 MET QB 1 13 TYR H 4.000 . 5.000 2.993 2.159 3.302 . 0 0 "[ . 1 . 2 .]" 1
159 1 12 MET QB 1 14 ASP H 4.000 . 5.000 3.270 2.598 3.988 . 0 0 "[ . 1 . 2 .]" 1
160 1 13 TYR H 1 13 TYR HB2 4.000 . 4.000 3.518 3.230 3.833 . 0 0 "[ . 1 . 2 .]" 1
161 1 13 TYR H 1 13 TYR QD 4.000 . 6.000 3.170 1.924 3.770 . 0 0 "[ . 1 . 2 .]" 1
162 1 13 TYR H 1 14 ASP H 3.300 . 3.300 2.854 2.499 3.306 0.006 5 0 "[ . 1 . 2 .]" 1
163 1 13 TYR HA 1 13 TYR QD 3.300 . 4.300 2.315 1.861 3.011 . 0 0 "[ . 1 . 2 .]" 1
164 1 13 TYR HA 1 14 ASP H 3.700 . 3.700 2.728 2.368 2.968 . 0 0 "[ . 1 . 2 .]" 1
165 1 13 TYR HA 1 15 CYS H 4.000 . 4.000 3.726 3.250 4.010 0.010 12 0 "[ . 1 . 2 .]" 1
166 1 13 TYR HB2 1 13 TYR QD 3.300 . 3.900 2.395 2.299 2.782 . 0 0 "[ . 1 . 2 .]" 1
167 1 13 TYR HB2 1 13 TYR QE 4.000 . 4.600 4.438 4.411 4.540 . 0 0 "[ . 1 . 2 .]" 1
168 1 13 TYR HB3 1 13 TYR QD 3.300 . 3.900 2.594 2.304 2.773 . 0 0 "[ . 1 . 2 .]" 1
169 1 13 TYR HB3 1 13 TYR QE 4.000 . 4.600 4.490 4.414 4.535 . 0 0 "[ . 1 . 2 .]" 1
170 1 13 TYR HB3 1 14 ASP H 4.700 . 4.700 4.417 4.175 4.603 . 0 0 "[ . 1 . 2 .]" 1
171 1 13 TYR QD 1 14 ASP H 4.700 . 6.700 4.585 4.111 4.933 . 0 0 "[ . 1 . 2 .]" 1
172 1 13 TYR QD 1 15 CYS H 4.700 . 6.700 5.518 4.624 6.168 . 0 0 "[ . 1 . 2 .]" 1
173 1 14 ASP H 1 14 ASP HB2 3.700 . 3.700 2.974 2.263 3.743 0.043 9 0 "[ . 1 . 2 .]" 1
174 1 14 ASP H 1 14 ASP HB3 3.700 . 3.700 3.507 2.835 3.763 0.063 5 0 "[ . 1 . 2 .]" 1
175 1 14 ASP H 1 15 CYS H 3.700 . 3.700 1.976 1.822 2.205 . 0 0 "[ . 1 . 2 .]" 1
176 1 14 ASP H 1 15 CYS HB3 4.700 . 5.700 5.514 5.251 5.725 0.025 19 0 "[ . 1 . 2 .]" 1
177 1 14 ASP HA 1 15 CYS H 4.000 . 4.000 3.470 3.199 3.550 . 0 0 "[ . 1 . 2 .]" 1
178 1 14 ASP HB2 1 15 CYS H 4.700 . 4.700 3.359 2.662 4.085 . 0 0 "[ . 1 . 2 .]" 1
179 1 14 ASP HB3 1 15 CYS H 4.000 . 4.700 3.947 2.874 4.626 . 0 0 "[ . 1 . 2 .]" 1
180 1 15 CYS H 1 15 CYS HB2 3.300 . 3.300 2.729 2.513 2.912 . 0 0 "[ . 1 . 2 .]" 1
181 1 15 CYS H 1 15 CYS HB3 4.000 . 4.000 3.619 3.597 3.665 . 0 0 "[ . 1 . 2 .]" 1
182 1 15 CYS H 1 16 CYS H 4.700 . 4.700 4.511 4.450 4.571 . 0 0 "[ . 1 . 2 .]" 1
183 1 15 CYS HA 1 15 CYS HB3 3.000 . 3.000 2.401 2.345 2.489 . 0 0 "[ . 1 . 2 .]" 1
184 1 15 CYS HA 1 16 CYS H 3.000 . 3.000 2.101 2.082 2.127 . 0 0 "[ . 1 . 2 .]" 1
185 1 15 CYS HA 1 16 CYS HB2 4.700 . 4.700 4.198 4.124 4.276 . 0 0 "[ . 1 . 2 .]" 1
186 1 15 CYS HA 1 16 CYS HB3 4.700 . 4.700 4.884 4.827 4.919 0.219 9 0 "[ . 1 . 2 .]" 1
187 1 15 CYS HA 1 17 THR H 4.700 . 4.700 3.679 3.494 3.936 . 0 0 "[ . 1 . 2 .]" 1
188 1 15 CYS HB2 1 16 CYS H 4.700 . 4.700 4.105 3.974 4.237 . 0 0 "[ . 1 . 2 .]" 1
189 1 15 CYS HB2 1 17 THR H 4.000 . 4.000 3.667 3.253 4.024 0.024 25 0 "[ . 1 . 2 .]" 1
190 1 15 CYS HB2 1 19 SER HA 4.700 . 4.700 2.864 2.472 3.450 . 0 0 "[ . 1 . 2 .]" 1
191 1 15 CYS HB2 1 25 CYS HB3 4.700 . 5.700 4.554 4.211 4.834 . 0 0 "[ . 1 . 2 .]" 1
192 1 15 CYS HB3 1 16 CYS H 3.300 . 3.300 3.355 3.201 3.430 0.130 6 0 "[ . 1 . 2 .]" 1
193 1 15 CYS HB3 1 17 THR H 3.700 . 3.700 2.923 2.635 3.340 . 0 0 "[ . 1 . 2 .]" 1
194 1 15 CYS HB3 1 19 SER HA 4.700 . 4.700 4.188 3.682 4.626 . 0 0 "[ . 1 . 2 .]" 1
195 1 16 CYS H 1 16 CYS HB2 3.300 . 4.000 2.205 2.147 2.269 . 0 0 "[ . 1 . 2 .]" 1
196 1 16 CYS H 1 16 CYS HB3 4.000 . 4.000 2.820 2.761 2.864 . 0 0 "[ . 1 . 2 .]" 1
197 1 16 CYS H 1 17 THR H 3.700 . 3.700 2.627 2.558 2.737 . 0 0 "[ . 1 . 2 .]" 1
198 1 16 CYS HA 1 16 CYS HB3 3.000 . 3.300 2.990 2.975 3.005 . 0 0 "[ . 1 . 2 .]" 1
199 1 16 CYS HA 1 17 THR H 4.000 . 4.000 3.486 3.388 3.554 . 0 0 "[ . 1 . 2 .]" 1
200 1 16 CYS HB2 1 17 THR H 3.700 . 4.000 3.806 3.538 4.036 0.036 13 0 "[ . 1 . 2 .]" 1
201 1 16 CYS HB3 1 17 THR H 4.000 . 4.000 2.987 2.582 3.338 . 0 0 "[ . 1 . 2 .]" 1
202 1 17 THR H 1 17 THR HB 3.700 . 4.000 3.556 2.912 4.013 0.013 10 0 "[ . 1 . 2 .]" 1
203 1 17 THR H 1 17 THR MG 4.000 . 5.000 2.611 1.906 3.729 . 0 0 "[ . 1 . 2 .]" 1
204 1 17 THR HA 1 18 GLY H 3.300 . 3.300 2.669 2.189 3.461 0.161 20 0 "[ . 1 . 2 .]" 1
205 1 17 THR MG 1 18 GLY H 4.000 . 5.000 3.786 2.381 4.174 . 0 0 "[ . 1 . 2 .]" 1
206 1 18 GLY H 1 18 GLY HA2 3.000 . 3.300 2.654 2.346 2.976 . 0 0 "[ . 1 . 2 .]" 1
207 1 18 GLY HA2 1 19 SER H 3.700 . 4.000 2.944 2.469 3.460 . 0 0 "[ . 1 . 2 .]" 1
208 1 18 GLY HA3 1 19 SER H 3.000 . 4.000 2.356 2.180 2.764 . 0 0 "[ . 1 . 2 .]" 1
209 1 19 SER H 1 19 SER HB2 3.700 . 4.000 3.338 2.648 3.928 . 0 0 "[ . 1 . 2 .]" 1
210 1 19 SER H 1 19 SER HB3 3.700 . 4.000 3.342 2.487 3.898 . 0 0 "[ . 1 . 2 .]" 1
211 1 19 SER H 1 20 CYS H 4.700 . 4.700 4.395 4.236 4.478 . 0 0 "[ . 1 . 2 .]" 1
212 1 19 SER HA 1 20 CYS H 3.000 . 3.000 2.604 2.193 2.870 . 0 0 "[ . 1 . 2 .]" 1
213 1 19 SER HB2 1 20 CYS H 3.700 . 4.000 2.941 1.879 3.945 . 0 0 "[ . 1 . 2 .]" 1
214 1 19 SER HB3 1 20 CYS H 4.000 . 4.000 3.095 1.885 3.865 . 0 0 "[ . 1 . 2 .]" 1
215 1 20 CYS H 1 20 CYS HB2 3.300 . 3.300 2.280 2.208 2.393 . 0 0 "[ . 1 . 2 .]" 1
216 1 20 CYS H 1 20 CYS HB3 3.700 . 3.700 3.563 3.511 3.614 . 0 0 "[ . 1 . 2 .]" 1
217 1 20 CYS H 1 25 CYS HA 4.700 . 4.700 4.533 3.992 4.735 0.035 15 0 "[ . 1 . 2 .]" 1
218 1 20 CYS HA 1 21 ARG H 3.000 . 3.300 2.235 2.185 2.343 . 0 0 "[ . 1 . 2 .]" 1
219 1 20 CYS HA 1 25 CYS HA 3.700 . 3.700 2.356 2.175 2.462 . 0 0 "[ . 1 . 2 .]" 1
220 1 20 CYS HB2 1 21 ARG H 4.700 . 4.700 4.474 4.053 4.617 . 0 0 "[ . 1 . 2 .]" 1
221 1 20 CYS HB3 1 21 ARG H 4.700 . 4.700 3.625 2.765 4.035 . 0 0 "[ . 1 . 2 .]" 1
222 1 21 ARG H 1 21 ARG HB2 3.700 . 3.700 2.917 2.391 3.319 . 0 0 "[ . 1 . 2 .]" 1
223 1 21 ARG H 1 21 ARG HB3 3.700 . 3.700 2.797 2.396 3.699 . 0 0 "[ . 1 . 2 .]" 1
224 1 21 ARG H 1 21 ARG QD 4.700 . 5.700 4.674 3.305 5.015 . 0 0 "[ . 1 . 2 .]" 1
225 1 21 ARG H 1 21 ARG HG2 4.700 . 4.700 4.505 4.154 4.795 0.095 10 0 "[ . 1 . 2 .]" 1
226 1 21 ARG H 1 21 ARG HG3 4.000 . 4.700 4.491 2.794 4.781 0.081 1 0 "[ . 1 . 2 .]" 1
227 1 21 ARG H 1 23 GLY H 4.700 . 4.700 3.820 2.999 4.438 . 0 0 "[ . 1 . 2 .]" 1
228 1 21 ARG H 1 24 LYS H 3.700 . 3.700 3.472 2.690 3.736 0.036 10 0 "[ . 1 . 2 .]" 1
229 1 21 ARG H 1 25 CYS HA 4.000 . 4.000 3.184 2.714 3.536 . 0 0 "[ . 1 . 2 .]" 1
230 1 21 ARG HA 1 21 ARG QD 4.000 . 5.000 3.668 2.097 4.094 . 0 0 "[ . 1 . 2 .]" 1
231 1 21 ARG HA 1 21 ARG HG2 3.700 . 3.700 2.995 1.912 3.787 0.087 14 0 "[ . 1 . 2 .]" 1
232 1 21 ARG HA 1 21 ARG HG3 3.700 . 3.700 2.583 2.186 3.207 . 0 0 "[ . 1 . 2 .]" 1
233 1 21 ARG HA 1 22 SER H 3.000 . 3.000 2.209 2.144 2.277 . 0 0 "[ . 1 . 2 .]" 1
234 1 21 ARG HA 1 22 SER HA 4.700 . 4.700 4.473 4.426 4.513 . 0 0 "[ . 1 . 2 .]" 1
235 1 21 ARG HA 1 23 GLY H 4.000 . 4.000 3.508 3.312 3.868 . 0 0 "[ . 1 . 2 .]" 1
236 1 21 ARG QB 1 21 ARG HE 4.700 . 5.700 3.325 2.040 3.994 . 0 0 "[ . 1 . 2 .]" 1
237 1 21 ARG HB2 1 21 ARG QD 3.700 . 4.300 2.418 1.939 3.334 . 0 0 "[ . 1 . 2 .]" 1
238 1 21 ARG HB2 1 22 SER H 4.000 . 4.300 4.314 4.110 4.475 0.175 19 0 "[ . 1 . 2 .]" 1
239 1 21 ARG HB3 1 21 ARG QD 3.700 . 4.300 2.592 1.895 3.388 . 0 0 "[ . 1 . 2 .]" 1
240 1 21 ARG HB3 1 22 SER H 4.000 . 4.300 4.022 3.222 4.455 0.155 21 0 "[ . 1 . 2 .]" 1
241 1 21 ARG HG2 1 22 SER H 4.700 . 4.700 3.348 2.314 4.700 0.000 2 0 "[ . 1 . 2 .]" 1
242 1 21 ARG HG3 1 22 SER H 4.700 . 4.700 3.319 2.359 4.728 0.028 2 0 "[ . 1 . 2 .]" 1
243 1 22 SER H 1 22 SER HA 3.000 . 3.000 2.349 2.343 2.360 . 0 0 "[ . 1 . 2 .]" 1
244 1 22 SER H 1 22 SER HB2 4.000 . 4.000 3.412 2.964 3.932 . 0 0 "[ . 1 . 2 .]" 1
245 1 22 SER H 1 22 SER HB3 4.000 . 4.000 3.811 3.045 4.034 0.034 20 0 "[ . 1 . 2 .]" 1
246 1 22 SER H 1 23 GLY H 3.700 . 3.700 2.735 2.614 2.818 . 0 0 "[ . 1 . 2 .]" 1
247 1 22 SER HA 1 22 SER HB2 3.000 . 4.700 2.776 2.287 3.033 . 0 0 "[ . 1 . 2 .]" 1
248 1 22 SER HA 1 23 GLY H 3.700 . 3.700 3.068 2.937 3.302 . 0 0 "[ . 1 . 2 .]" 1
249 1 22 SER QB 1 23 GLY H 4.700 . 5.700 3.729 3.519 4.017 . 0 0 "[ . 1 . 2 .]" 1
250 1 22 SER QB 1 24 LYS H 4.700 . 5.700 3.174 2.870 4.384 . 0 0 "[ . 1 . 2 .]" 1
251 1 23 GLY H 1 23 GLY HA2 3.000 . 3.700 2.422 2.349 2.620 . 0 0 "[ . 1 . 2 .]" 1
252 1 23 GLY H 1 24 LYS H 3.700 . 3.700 2.664 2.244 2.956 . 0 0 "[ . 1 . 2 .]" 1
253 1 23 GLY HA2 1 24 LYS H 4.000 . 4.000 3.434 3.176 3.559 . 0 0 "[ . 1 . 2 .]" 1
254 1 23 GLY HA3 1 24 LYS H 4.000 . 4.000 3.108 2.891 3.389 . 0 0 "[ . 1 . 2 .]" 1
255 1 24 LYS H 1 24 LYS HB2 3.700 . 3.700 2.639 2.359 3.331 . 0 0 "[ . 1 . 2 .]" 1
256 1 24 LYS H 1 24 LYS HB3 4.000 . 4.000 3.717 3.593 3.934 . 0 0 "[ . 1 . 2 .]" 1
257 1 24 LYS H 1 24 LYS HG2 4.000 . 4.000 3.694 1.849 4.055 0.055 15 0 "[ . 1 . 2 .]" 1
258 1 24 LYS H 1 24 LYS HG3 4.000 . 4.000 2.664 1.907 3.802 . 0 0 "[ . 1 . 2 .]" 1
259 1 24 LYS H 1 25 CYS H 4.700 . 4.700 4.546 4.414 4.621 . 0 0 "[ . 1 . 2 .]" 1
260 1 24 LYS HA 1 24 LYS QD 4.700 . 5.300 3.937 2.758 4.250 . 0 0 "[ . 1 . 2 .]" 1
261 1 24 LYS HA 1 24 LYS HG2 4.000 . 4.000 2.790 2.010 3.532 . 0 0 "[ . 1 . 2 .]" 1
262 1 24 LYS HA 1 24 LYS HG3 4.000 . 4.000 2.958 2.421 4.114 0.114 7 0 "[ . 1 . 2 .]" 1
263 1 24 LYS HA 1 25 CYS H 3.000 . 3.000 2.460 2.174 2.662 . 0 0 "[ . 1 . 2 .]" 1
264 1 24 LYS HA 1 25 CYS HB2 4.700 . 5.700 4.508 4.270 4.629 . 0 0 "[ . 1 . 2 .]" 1
265 1 24 LYS HB2 1 25 CYS H 4.000 . 4.000 3.467 2.535 4.098 0.098 10 0 "[ . 1 . 2 .]" 1
266 1 24 LYS HB3 1 25 CYS H 3.700 . 3.700 2.550 2.164 3.173 . 0 0 "[ . 1 . 2 .]" 1
267 1 24 LYS HG2 1 25 CYS H 4.700 . 4.700 4.295 3.676 4.745 0.045 21 0 "[ . 1 . 2 .]" 1
268 1 24 LYS HG3 1 25 CYS H 4.700 . 4.700 4.726 4.420 4.838 0.138 23 0 "[ . 1 . 2 .]" 1
269 1 25 CYS H 1 25 CYS HB2 3.300 . 3.300 2.140 2.105 2.212 . 0 0 "[ . 1 . 2 .]" 1
270 1 25 CYS H 1 25 CYS HB3 4.000 . 4.000 3.419 3.342 3.532 . 0 0 "[ . 1 . 2 .]" 1
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