NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
368725 |
1axh   |
4233 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1axh
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 444
_Distance_constraint_stats_list.Viol_count 949
_Distance_constraint_stats_list.Viol_total 787.806
_Distance_constraint_stats_list.Viol_max 0.142
_Distance_constraint_stats_list.Viol_rms 0.0166
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.0415
_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 2 PRO 0.165 0.053 18 0 "[ . 1 . 2]"
1 3 THR 0.680 0.053 18 0 "[ . 1 . 2]"
1 4 CYS 1.886 0.081 4 0 "[ . 1 . 2]"
1 5 ILE 1.419 0.078 5 0 "[ . 1 . 2]"
1 6 PRO 0.972 0.055 2 0 "[ . 1 . 2]"
1 7 SER 2.920 0.091 13 0 "[ . 1 . 2]"
1 8 GLY 0.594 0.062 11 0 "[ . 1 . 2]"
1 9 GLN 2.262 0.120 7 0 "[ . 1 . 2]"
1 10 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 CYS 0.074 0.022 4 0 "[ . 1 . 2]"
1 12 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 TYR 0.011 0.007 15 0 "[ . 1 . 2]"
1 14 ASN 5.340 0.125 10 0 "[ . 1 . 2]"
1 15 GLU 0.111 0.016 8 0 "[ . 1 . 2]"
1 16 ASN 0.671 0.078 2 0 "[ . 1 . 2]"
1 17 CYS 0.111 0.019 20 0 "[ . 1 . 2]"
1 18 CYS 4.054 0.091 13 0 "[ . 1 . 2]"
1 19 SER 3.546 0.116 17 0 "[ . 1 . 2]"
1 20 GLN 0.876 0.071 7 0 "[ . 1 . 2]"
1 21 SER 2.225 0.083 17 0 "[ . 1 . 2]"
1 22 CYS 0.958 0.056 12 0 "[ . 1 . 2]"
1 23 THR 0.672 0.070 6 0 "[ . 1 . 2]"
1 24 PHE 0.567 0.050 2 0 "[ . 1 . 2]"
1 25 LYS 2.260 0.071 20 0 "[ . 1 . 2]"
1 26 GLU 2.453 0.131 19 0 "[ . 1 . 2]"
1 27 ASN 2.198 0.072 9 0 "[ . 1 . 2]"
1 28 GLU 2.908 0.107 20 0 "[ . 1 . 2]"
1 29 ASN 0.562 0.033 10 0 "[ . 1 . 2]"
1 30 GLY 3.281 0.142 20 0 "[ . 1 . 2]"
1 31 ASN 2.026 0.081 19 0 "[ . 1 . 2]"
1 32 THR 0.170 0.030 14 0 "[ . 1 . 2]"
1 33 VAL 1.836 0.071 20 0 "[ . 1 . 2]"
1 34 LYS 2.111 0.053 4 0 "[ . 1 . 2]"
1 35 ARG 1.495 0.087 2 0 "[ . 1 . 2]"
1 36 CYS 3.493 0.120 7 0 "[ . 1 . 2]"
1 37 ASP 0.636 0.045 7 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 2 PRO HA 1 3 THR H 0.000 . 3.500 2.769 2.160 3.553 0.053 18 0 "[ . 1 . 2]" 1
2 1 3 THR H 1 3 THR HB 0.000 . 3.500 2.929 2.372 3.464 . 0 0 "[ . 1 . 2]" 1
3 1 3 THR H 1 4 CYS H 0.000 . 5.000 3.369 1.986 4.497 . 0 0 "[ . 1 . 2]" 1
4 1 3 THR HA 1 4 CYS H 0.000 . 3.500 3.167 2.505 3.548 0.048 18 0 "[ . 1 . 2]" 1
5 1 3 THR HB 1 4 CYS H 0.000 . 3.500 3.482 3.421 3.537 0.037 8 0 "[ . 1 . 2]" 1
6 1 3 THR MG 1 4 CYS H 0.000 . 6.500 1.963 1.763 3.550 . 0 0 "[ . 1 . 2]" 1
7 1 4 CYS H 1 4 CYS HB2 0.000 . 3.500 3.568 3.552 3.581 0.081 4 0 "[ . 1 . 2]" 1
8 1 4 CYS H 1 4 CYS HB3 0.000 . 3.500 2.524 2.396 2.738 . 0 0 "[ . 1 . 2]" 1
9 1 4 CYS HA 1 5 ILE H 0.000 . 3.500 2.328 2.251 2.504 . 0 0 "[ . 1 . 2]" 1
10 1 4 CYS HA 1 5 ILE HB 0.000 . 5.000 4.693 4.575 4.845 . 0 0 "[ . 1 . 2]" 1
11 1 4 CYS HA 1 5 ILE QG 0.000 . 6.000 3.945 3.402 4.368 . 0 0 "[ . 1 . 2]" 1
12 1 4 CYS HB2 1 5 ILE H 0.000 . 5.000 2.625 2.186 2.849 . 0 0 "[ . 1 . 2]" 1
13 1 4 CYS HB2 1 17 CYS HA 0.000 . 5.000 3.718 3.456 3.952 . 0 0 "[ . 1 . 2]" 1
14 1 4 CYS HB2 1 18 CYS H 0.000 . 3.500 3.067 2.859 3.303 . 0 0 "[ . 1 . 2]" 1
15 1 4 CYS HB2 1 18 CYS HA 0.000 . 3.500 2.212 2.012 2.408 . 0 0 "[ . 1 . 2]" 1
16 1 4 CYS HB3 1 5 ILE H 0.000 . 5.000 3.879 3.541 4.046 . 0 0 "[ . 1 . 2]" 1
17 1 4 CYS HB3 1 18 CYS H 0.000 . 5.000 4.778 4.558 5.006 0.006 1 0 "[ . 1 . 2]" 1
18 1 4 CYS HB3 1 18 CYS HA 0.000 . 3.500 3.113 2.968 3.249 . 0 0 "[ . 1 . 2]" 1
19 1 5 ILE H 1 5 ILE HB 0.000 . 2.800 2.405 2.332 2.512 . 0 0 "[ . 1 . 2]" 1
20 1 5 ILE H 1 5 ILE MD 0.000 . 5.000 2.439 1.840 3.677 . 0 0 "[ . 1 . 2]" 1
21 1 5 ILE H 1 5 ILE QG 0.000 . 4.500 2.723 2.057 3.079 . 0 0 "[ . 1 . 2]" 1
22 1 5 ILE H 1 16 ASN O 2.200 . 2.200 2.210 2.154 2.239 0.039 11 0 "[ . 1 . 2]" 1
23 1 5 ILE H 1 17 CYS HA 0.000 . 3.500 2.910 2.690 3.201 . 0 0 "[ . 1 . 2]" 1
24 1 5 ILE HA 1 6 PRO HD2 0.000 . 2.800 2.065 1.984 2.285 . 0 0 "[ . 1 . 2]" 1
25 1 5 ILE HA 1 6 PRO HD3 0.000 . 2.800 2.349 2.093 2.465 . 0 0 "[ . 1 . 2]" 1
26 1 5 ILE HB 1 11 CYS HB2 0.000 . 5.000 3.326 3.086 3.651 . 0 0 "[ . 1 . 2]" 1
27 1 5 ILE HB 1 11 CYS HB3 0.000 . 5.000 2.661 2.434 3.200 . 0 0 "[ . 1 . 2]" 1
28 1 5 ILE HB 1 17 CYS HA 0.000 . 3.000 2.455 2.346 2.605 . 0 0 "[ . 1 . 2]" 1
29 1 5 ILE HB 1 18 CYS H 0.000 . 3.500 3.553 3.540 3.578 0.078 5 0 "[ . 1 . 2]" 1
30 1 5 ILE MD 1 6 PRO HD2 0.000 . 6.500 5.098 4.848 5.294 . 0 0 "[ . 1 . 2]" 1
31 1 5 ILE MD 1 6 PRO HD3 0.000 . 6.500 5.386 5.101 5.520 . 0 0 "[ . 1 . 2]" 1
32 1 5 ILE MD 1 9 GLN HB3 0.000 . 6.000 4.816 3.679 5.061 . 0 0 "[ . 1 . 2]" 1
33 1 5 ILE MD 1 11 CYS HA 0.000 . 4.800 2.262 1.757 2.667 . 0 0 "[ . 1 . 2]" 1
34 1 5 ILE MD 1 11 CYS HB2 0.000 . 5.000 2.407 2.144 2.727 . 0 0 "[ . 1 . 2]" 1
35 1 5 ILE MD 1 12 PRO HD2 0.000 . 4.300 2.202 2.031 2.544 . 0 0 "[ . 1 . 2]" 1
36 1 5 ILE MD 1 12 PRO HD3 0.000 . 5.000 2.231 1.990 2.759 . 0 0 "[ . 1 . 2]" 1
37 1 5 ILE MD 1 16 ASN HB2 0.000 . 5.000 3.698 3.442 3.991 . 0 0 "[ . 1 . 2]" 1
38 1 5 ILE MD 1 16 ASN HB3 0.000 . 5.000 2.355 2.164 2.635 . 0 0 "[ . 1 . 2]" 1
39 1 5 ILE MD 1 16 ASN HD21 0.000 . 6.500 2.157 1.797 2.665 . 0 0 "[ . 1 . 2]" 1
40 1 5 ILE MD 1 16 ASN HD22 0.000 . 6.500 2.700 2.476 2.932 . 0 0 "[ . 1 . 2]" 1
41 1 5 ILE MD 1 17 CYS HA 0.000 . 6.500 3.186 2.913 4.014 . 0 0 "[ . 1 . 2]" 1
42 1 5 ILE QG 1 11 CYS HA 0.000 . 6.000 2.811 2.280 3.943 . 0 0 "[ . 1 . 2]" 1
43 1 5 ILE QG 1 16 ASN HB3 0.000 . 6.000 4.331 3.432 4.688 . 0 0 "[ . 1 . 2]" 1
44 1 5 ILE QG 1 17 CYS HA 0.000 . 6.000 4.386 3.811 4.559 . 0 0 "[ . 1 . 2]" 1
45 1 5 ILE MG 1 6 PRO HD2 0.000 . 5.000 2.730 2.383 2.868 . 0 0 "[ . 1 . 2]" 1
46 1 5 ILE MG 1 7 SER H 0.000 . 6.500 5.008 4.917 5.116 . 0 0 "[ . 1 . 2]" 1
47 1 5 ILE MG 1 9 GLN HB2 0.000 . 4.300 2.318 1.967 2.637 . 0 0 "[ . 1 . 2]" 1
48 1 5 ILE MG 1 9 GLN HB3 0.000 . 4.300 1.776 1.711 1.875 . 0 0 "[ . 1 . 2]" 1
49 1 5 ILE MG 1 9 GLN HG2 0.000 . 5.000 3.583 3.246 4.055 . 0 0 "[ . 1 . 2]" 1
50 1 5 ILE MG 1 9 GLN HG3 0.000 . 5.000 4.013 3.901 4.095 . 0 0 "[ . 1 . 2]" 1
51 1 5 ILE MG 1 11 CYS HA 0.000 . 6.500 3.055 2.916 3.189 . 0 0 "[ . 1 . 2]" 1
52 1 5 ILE MG 1 11 CYS HB2 0.000 . 6.500 3.521 3.346 3.755 . 0 0 "[ . 1 . 2]" 1
53 1 5 ILE MG 1 11 CYS HB3 0.000 . 5.000 2.121 1.940 2.680 . 0 0 "[ . 1 . 2]" 1
54 1 5 ILE MG 1 12 PRO HD3 0.000 . 6.500 4.534 4.406 4.684 . 0 0 "[ . 1 . 2]" 1
55 1 5 ILE MG 1 17 CYS HA 0.000 . 6.500 3.829 3.619 4.036 . 0 0 "[ . 1 . 2]" 1
56 1 5 ILE MG 1 18 CYS H 0.000 . 6.500 4.237 4.097 4.405 . 0 0 "[ . 1 . 2]" 1
57 1 5 ILE MG 1 36 CYS HB2 0.000 . 6.500 2.163 1.834 2.580 . 0 0 "[ . 1 . 2]" 1
58 1 5 ILE MG 1 36 CYS HB3 0.000 . 6.500 3.276 3.149 3.488 . 0 0 "[ . 1 . 2]" 1
59 1 5 ILE N 1 16 ASN O 3.200 2.900 3.200 3.180 3.122 3.221 0.021 11 0 "[ . 1 . 2]" 1
60 1 5 ILE O 1 18 CYS H 2.200 . 2.200 2.025 1.995 2.049 0.005 3 0 "[ . 1 . 2]" 1
61 1 5 ILE O 1 18 CYS N 3.200 2.900 3.200 2.982 2.880 3.026 0.020 1 0 "[ . 1 . 2]" 1
62 1 6 PRO HA 1 7 SER H 0.000 . 2.800 2.292 2.261 2.326 . 0 0 "[ . 1 . 2]" 1
63 1 6 PRO HB2 1 7 SER H 0.000 . 2.800 2.824 2.786 2.855 0.055 2 0 "[ . 1 . 2]" 1
64 1 6 PRO HB3 1 7 SER H 0.000 . 3.500 3.522 3.516 3.532 0.032 2 0 "[ . 1 . 2]" 1
65 1 6 PRO HG2 1 9 GLN HE21 0.000 . 5.000 3.464 2.104 4.973 . 0 0 "[ . 1 . 2]" 1
66 1 6 PRO HG2 1 9 GLN HE22 0.000 . 5.000 3.197 1.904 4.603 . 0 0 "[ . 1 . 2]" 1
67 1 6 PRO O 1 9 GLN H 2.200 . 2.200 2.065 2.008 2.171 . 0 0 "[ . 1 . 2]" 1
68 1 6 PRO O 1 9 GLN N 3.200 2.900 3.200 2.960 2.885 3.039 0.015 7 0 "[ . 1 . 2]" 1
69 1 7 SER H 1 7 SER HA 0.000 . 2.800 2.764 2.739 2.777 . 0 0 "[ . 1 . 2]" 1
70 1 7 SER H 1 7 SER QB 0.000 . 3.800 2.370 2.127 2.709 . 0 0 "[ . 1 . 2]" 1
71 1 7 SER H 1 8 GLY H 0.000 . 5.000 4.537 4.463 4.626 . 0 0 "[ . 1 . 2]" 1
72 1 7 SER H 1 18 CYS H 0.000 . 5.000 5.064 5.016 5.091 0.091 13 0 "[ . 1 . 2]" 1
73 1 7 SER H 1 18 CYS HB2 0.000 . 5.000 3.601 3.487 3.806 . 0 0 "[ . 1 . 2]" 1
74 1 7 SER H 1 36 CYS HB3 0.000 . 5.000 3.648 3.562 3.920 . 0 0 "[ . 1 . 2]" 1
75 1 7 SER HA 1 8 GLY H 0.000 . 3.300 2.151 2.138 2.226 . 0 0 "[ . 1 . 2]" 1
76 1 7 SER HA 1 9 GLN H 0.000 . 5.000 3.507 3.330 3.637 . 0 0 "[ . 1 . 2]" 1
77 1 7 SER HA 1 36 CYS H 0.000 . 5.000 3.843 3.643 4.057 . 0 0 "[ . 1 . 2]" 1
78 1 7 SER HA 1 36 CYS HA 0.000 . 5.000 4.228 4.115 4.356 . 0 0 "[ . 1 . 2]" 1
79 1 7 SER HA 1 36 CYS HB2 0.000 . 3.500 3.535 3.524 3.554 0.054 8 0 "[ . 1 . 2]" 1
80 1 7 SER HA 1 36 CYS HB3 0.000 . 2.800 1.799 1.785 1.813 . 0 0 "[ . 1 . 2]" 1
81 1 8 GLY H 1 8 GLY HA2 0.000 . 2.800 2.407 2.356 2.459 . 0 0 "[ . 1 . 2]" 1
82 1 8 GLY H 1 9 GLN H 0.000 . 5.000 2.541 2.115 2.755 . 0 0 "[ . 1 . 2]" 1
83 1 8 GLY H 1 35 ARG QB 0.000 . 6.000 3.387 3.099 3.890 . 0 0 "[ . 1 . 2]" 1
84 1 8 GLY H 1 36 CYS H 0.000 . 5.500 2.724 2.524 3.195 . 0 0 "[ . 1 . 2]" 1
85 1 8 GLY H 1 36 CYS HB2 0.000 . 5.000 3.803 3.585 4.111 . 0 0 "[ . 1 . 2]" 1
86 1 8 GLY H 1 36 CYS HB3 0.000 . 3.500 2.667 2.448 2.809 . 0 0 "[ . 1 . 2]" 1
87 1 8 GLY H 1 36 CYS O 2.200 . 2.200 2.178 2.118 2.229 0.029 4 0 "[ . 1 . 2]" 1
88 1 8 GLY HA2 1 35 ARG HB3 0.000 . 5.000 3.638 3.341 4.194 . 0 0 "[ . 1 . 2]" 1
89 1 8 GLY HA2 1 35 ARG QD 0.000 . 6.000 4.008 3.485 4.963 . 0 0 "[ . 1 . 2]" 1
90 1 8 GLY HA2 1 36 CYS HB3 0.000 . 5.000 5.001 4.828 5.062 0.062 11 0 "[ . 1 . 2]" 1
91 1 8 GLY N 1 36 CYS O 3.200 2.900 3.200 3.069 2.945 3.178 . 0 0 "[ . 1 . 2]" 1
92 1 9 GLN H 1 9 GLN HB2 0.000 . 3.500 2.212 2.150 2.414 . 0 0 "[ . 1 . 2]" 1
93 1 9 GLN H 1 9 GLN HB3 0.000 . 3.500 3.332 3.151 3.519 0.019 7 0 "[ . 1 . 2]" 1
94 1 9 GLN H 1 9 GLN HG2 0.000 . 5.000 4.489 4.033 4.836 . 0 0 "[ . 1 . 2]" 1
95 1 9 GLN H 1 9 GLN HG3 0.000 . 5.000 3.866 3.074 4.380 . 0 0 "[ . 1 . 2]" 1
96 1 9 GLN H 1 36 CYS H 0.000 . 5.000 3.355 2.778 3.736 . 0 0 "[ . 1 . 2]" 1
97 1 9 GLN H 1 36 CYS HB2 0.000 . 5.000 3.557 3.097 3.756 . 0 0 "[ . 1 . 2]" 1
98 1 9 GLN H 1 36 CYS HB3 0.000 . 5.000 3.206 2.868 3.358 . 0 0 "[ . 1 . 2]" 1
99 1 9 GLN HA 1 10 PRO HD2 0.000 . 3.500 2.696 2.603 2.800 . 0 0 "[ . 1 . 2]" 1
100 1 9 GLN HA 1 10 PRO HD3 0.000 . 3.500 2.159 2.124 2.206 . 0 0 "[ . 1 . 2]" 1
101 1 9 GLN QG 1 10 PRO HD2 0.000 . 6.000 2.275 1.924 2.786 . 0 0 "[ . 1 . 2]" 1
102 1 9 GLN QG 1 10 PRO HD3 0.000 . 6.000 2.736 2.390 3.204 . 0 0 "[ . 1 . 2]" 1
103 1 9 GLN O 1 36 CYS H 2.200 . 2.200 2.229 2.174 2.253 0.053 7 0 "[ . 1 . 2]" 1
104 1 9 GLN O 1 36 CYS N 3.200 2.900 3.200 2.820 2.780 2.848 0.120 7 0 "[ . 1 . 2]" 1
105 1 10 PRO HA 1 11 CYS H 0.000 . 3.500 2.153 2.140 2.192 . 0 0 "[ . 1 . 2]" 1
106 1 10 PRO HB3 1 33 VAL QG 0.000 . 7.900 3.307 3.117 3.618 . 0 0 "[ . 1 . 2]" 1
107 1 10 PRO HG3 1 33 VAL QG 0.000 . 7.900 4.727 4.530 5.035 . 0 0 "[ . 1 . 2]" 1
108 1 11 CYS H 1 34 LYS H 0.000 . 5.500 4.639 4.428 4.814 . 0 0 "[ . 1 . 2]" 1
109 1 11 CYS H 1 34 LYS HB2 0.000 . 5.000 4.265 4.037 4.550 . 0 0 "[ . 1 . 2]" 1
110 1 11 CYS H 1 34 LYS HB3 0.000 . 5.000 3.555 3.321 3.837 . 0 0 "[ . 1 . 2]" 1
111 1 11 CYS H 1 34 LYS O 2.200 . 2.200 2.081 2.066 2.125 . 0 0 "[ . 1 . 2]" 1
112 1 11 CYS H 1 35 ARG HG2 0.000 . 5.000 4.834 4.380 5.015 0.015 2 0 "[ . 1 . 2]" 1
113 1 11 CYS H 1 36 CYS H 0.000 . 5.000 4.415 4.194 4.654 . 0 0 "[ . 1 . 2]" 1
114 1 11 CYS HA 1 11 CYS HB3 0.000 . 2.800 2.498 2.474 2.555 . 0 0 "[ . 1 . 2]" 1
115 1 11 CYS HA 1 12 PRO HB3 0.000 . 5.000 4.856 4.847 4.868 . 0 0 "[ . 1 . 2]" 1
116 1 11 CYS HA 1 12 PRO HD3 0.000 . 2.800 2.060 2.026 2.090 . 0 0 "[ . 1 . 2]" 1
117 1 11 CYS HB2 1 12 PRO HD3 0.000 . 5.000 3.572 3.487 3.678 . 0 0 "[ . 1 . 2]" 1
118 1 11 CYS HB2 1 17 CYS HB2 0.000 . 5.000 4.209 4.005 4.423 . 0 0 "[ . 1 . 2]" 1
119 1 11 CYS HB3 1 36 CYS HA 0.000 . 5.500 3.911 3.678 4.130 . 0 0 "[ . 1 . 2]" 1
120 1 11 CYS N 1 34 LYS O 3.200 2.900 3.200 2.927 2.878 3.019 0.022 4 0 "[ . 1 . 2]" 1
121 1 12 PRO QB 1 16 ASN QD 0.000 . 7.000 3.984 3.721 4.436 . 0 0 "[ . 1 . 2]" 1
122 1 12 PRO HB2 1 13 TYR CG 0.000 . 5.500 3.163 3.090 3.256 . 0 0 "[ . 1 . 2]" 1
123 1 12 PRO HB2 1 13 TYR CZ 0.000 . 7.000 2.823 2.678 3.264 . 0 0 "[ . 1 . 2]" 1
124 1 12 PRO HB3 1 13 TYR CG 0.000 . 5.500 4.907 4.837 5.008 . 0 0 "[ . 1 . 2]" 1
125 1 12 PRO HB3 1 13 TYR CZ 0.000 . 7.000 4.278 4.160 4.632 . 0 0 "[ . 1 . 2]" 1
126 1 12 PRO HD2 1 13 TYR CZ 0.000 . 7.000 6.168 5.905 6.364 . 0 0 "[ . 1 . 2]" 1
127 1 12 PRO HD2 1 16 ASN HB2 0.000 . 3.500 3.232 3.021 3.465 . 0 0 "[ . 1 . 2]" 1
128 1 12 PRO HD2 1 16 ASN HB3 0.000 . 3.500 2.005 1.873 2.139 . 0 0 "[ . 1 . 2]" 1
129 1 12 PRO HD3 1 13 TYR CG 0.000 . 7.000 6.155 6.031 6.257 . 0 0 "[ . 1 . 2]" 1
130 1 12 PRO HD3 1 13 TYR CZ 0.000 . 7.000 6.564 6.374 6.726 . 0 0 "[ . 1 . 2]" 1
131 1 12 PRO HD3 1 16 ASN QD 0.000 . 6.000 2.666 2.387 2.830 . 0 0 "[ . 1 . 2]" 1
132 1 12 PRO QG 1 13 TYR CG 0.000 . 6.500 3.478 3.366 3.604 . 0 0 "[ . 1 . 2]" 1
133 1 12 PRO QG 1 13 TYR CZ 0.000 . 6.500 3.817 3.592 4.055 . 0 0 "[ . 1 . 2]" 1
134 1 12 PRO QG 1 16 ASN QD 0.000 . 7.000 2.182 1.884 2.714 . 0 0 "[ . 1 . 2]" 1
135 1 13 TYR CG 1 14 ASN H 0.000 . 7.000 4.449 4.394 4.497 . 0 0 "[ . 1 . 2]" 1
136 1 13 TYR CG 1 15 GLU H 0.000 . 7.000 4.245 4.187 4.292 . 0 0 "[ . 1 . 2]" 1
137 1 13 TYR CG 1 15 GLU QB 0.000 . 7.000 4.450 4.417 4.474 . 0 0 "[ . 1 . 2]" 1
138 1 13 TYR CZ 1 15 GLU QB 0.000 . 7.000 6.322 6.297 6.344 . 0 0 "[ . 1 . 2]" 1
139 1 13 TYR QB 1 14 ASN H 0.000 . 4.500 2.571 2.495 2.641 . 0 0 "[ . 1 . 2]" 1
140 1 13 TYR QB 1 15 GLU H 0.000 . 6.000 2.132 2.079 2.188 . 0 0 "[ . 1 . 2]" 1
141 1 13 TYR O 1 16 ASN H 2.200 . 2.200 2.137 2.092 2.207 0.007 15 0 "[ . 1 . 2]" 1
142 1 13 TYR O 1 16 ASN N 3.200 2.900 3.200 3.039 2.970 3.112 . 0 0 "[ . 1 . 2]" 1
143 1 14 ASN H 1 14 ASN HB2 0.000 . 3.500 2.707 2.685 2.732 . 0 0 "[ . 1 . 2]" 1
144 1 14 ASN H 1 14 ASN HB3 0.000 . 3.500 3.564 3.559 3.568 0.068 4 0 "[ . 1 . 2]" 1
145 1 14 ASN H 1 14 ASN HD21 0.000 . 5.000 4.213 4.085 4.240 . 0 0 "[ . 1 . 2]" 1
146 1 14 ASN H 1 14 ASN HD22 0.000 . 5.000 4.100 4.000 4.123 . 0 0 "[ . 1 . 2]" 1
147 1 14 ASN H 1 22 CYS H 0.000 . 5.000 4.884 4.659 5.016 0.016 15 0 "[ . 1 . 2]" 1
148 1 14 ASN H 1 22 CYS HB3 0.000 . 5.000 4.421 4.119 4.533 . 0 0 "[ . 1 . 2]" 1
149 1 14 ASN HA 1 22 CYS H 0.000 . 3.500 2.816 2.550 3.072 . 0 0 "[ . 1 . 2]" 1
150 1 14 ASN HA 1 22 CYS HB3 0.000 . 3.500 3.505 3.380 3.534 0.034 6 0 "[ . 1 . 2]" 1
151 1 14 ASN HB2 1 14 ASN HD21 0.000 . 3.500 2.589 2.483 2.610 . 0 0 "[ . 1 . 2]" 1
152 1 14 ASN HB2 1 14 ASN HD22 0.000 . 3.500 3.616 3.574 3.625 0.125 10 0 "[ . 1 . 2]" 1
153 1 14 ASN HB2 1 15 GLU H 0.000 . 5.000 3.397 3.290 3.481 . 0 0 "[ . 1 . 2]" 1
154 1 14 ASN HB2 1 21 SER HA 0.000 . 5.000 4.733 4.505 5.013 0.013 4 0 "[ . 1 . 2]" 1
155 1 14 ASN HB3 1 14 ASN HD22 0.000 . 3.500 3.570 3.560 3.615 0.115 2 0 "[ . 1 . 2]" 1
156 1 14 ASN HB3 1 15 GLU H 0.000 . 5.000 4.343 4.281 4.399 . 0 0 "[ . 1 . 2]" 1
157 1 14 ASN HB3 1 21 SER HA 0.000 . 5.000 3.040 2.812 3.312 . 0 0 "[ . 1 . 2]" 1
158 1 14 ASN HB3 1 22 CYS H 0.000 . 5.000 2.404 2.272 2.620 . 0 0 "[ . 1 . 2]" 1
159 1 15 GLU H 1 15 GLU HG2 0.000 . 5.000 4.543 4.161 4.734 . 0 0 "[ . 1 . 2]" 1
160 1 15 GLU H 1 15 GLU HG3 0.000 . 5.000 4.162 3.904 4.596 . 0 0 "[ . 1 . 2]" 1
161 1 15 GLU H 1 16 ASN H 0.000 . 5.000 2.327 2.205 2.586 . 0 0 "[ . 1 . 2]" 1
162 1 15 GLU HA 1 17 CYS H 0.000 . 5.000 3.680 3.544 3.866 . 0 0 "[ . 1 . 2]" 1
163 1 15 GLU HA 1 20 GLN HB3 0.000 . 5.000 4.825 3.965 5.016 0.016 8 0 "[ . 1 . 2]" 1
164 1 15 GLU HA 1 20 GLN HE21 0.000 . 5.000 4.009 2.738 5.010 0.010 8 0 "[ . 1 . 2]" 1
165 1 15 GLU HA 1 20 GLN HE22 0.000 . 5.000 4.035 2.156 4.881 . 0 0 "[ . 1 . 2]" 1
166 1 15 GLU QG 1 16 ASN HA 0.000 . 6.000 5.079 4.749 5.330 . 0 0 "[ . 1 . 2]" 1
167 1 16 ASN H 1 16 ASN HB2 0.000 . 3.500 2.607 2.405 2.919 . 0 0 "[ . 1 . 2]" 1
168 1 16 ASN H 1 17 CYS H 0.000 . 5.000 2.327 1.983 2.616 . 0 0 "[ . 1 . 2]" 1
169 1 16 ASN HB2 1 17 CYS H 0.000 . 5.000 4.269 4.042 4.391 . 0 0 "[ . 1 . 2]" 1
170 1 16 ASN HB3 1 16 ASN HD21 0.000 . 3.500 2.290 2.168 2.472 . 0 0 "[ . 1 . 2]" 1
171 1 16 ASN HB3 1 16 ASN HD22 0.000 . 3.500 3.515 3.469 3.578 0.078 2 0 "[ . 1 . 2]" 1
172 1 17 CYS H 1 17 CYS HB2 0.000 . 3.500 2.189 2.081 2.273 . 0 0 "[ . 1 . 2]" 1
173 1 17 CYS H 1 17 CYS HB3 0.000 . 3.500 3.270 3.234 3.346 . 0 0 "[ . 1 . 2]" 1
174 1 17 CYS H 1 20 GLN H 0.000 . 5.000 3.844 3.758 3.969 . 0 0 "[ . 1 . 2]" 1
175 1 17 CYS H 1 20 GLN HA 0.000 . 5.000 3.053 2.919 3.266 . 0 0 "[ . 1 . 2]" 1
176 1 17 CYS HA 1 18 CYS H 0.000 . 3.500 2.240 2.219 2.257 . 0 0 "[ . 1 . 2]" 1
177 1 17 CYS HA 1 19 SER H 0.000 . 5.000 4.039 3.961 4.119 . 0 0 "[ . 1 . 2]" 1
178 1 17 CYS QB 1 20 GLN H 0.000 . 3.800 1.887 1.853 2.009 . 0 0 "[ . 1 . 2]" 1
179 1 17 CYS HB2 1 18 CYS H 0.000 . 5.000 4.259 4.223 4.291 . 0 0 "[ . 1 . 2]" 1
180 1 17 CYS HB2 1 19 SER H 0.000 . 5.000 4.366 4.277 4.424 . 0 0 "[ . 1 . 2]" 1
181 1 17 CYS HB2 1 20 GLN H 0.000 . 5.000 3.152 3.003 3.235 . 0 0 "[ . 1 . 2]" 1
182 1 17 CYS HB2 1 20 GLN HA 0.000 . 3.500 2.911 2.771 3.036 . 0 0 "[ . 1 . 2]" 1
183 1 17 CYS HB2 1 21 SER H 0.000 . 5.000 3.339 3.258 3.413 . 0 0 "[ . 1 . 2]" 1
184 1 17 CYS HB2 1 36 CYS HA 0.000 . 5.500 4.759 4.693 4.832 . 0 0 "[ . 1 . 2]" 1
185 1 17 CYS HB3 1 18 CYS H 0.000 . 3.500 3.168 3.049 3.241 . 0 0 "[ . 1 . 2]" 1
186 1 17 CYS HB3 1 19 SER H 0.000 . 2.800 2.640 2.586 2.699 . 0 0 "[ . 1 . 2]" 1
187 1 17 CYS HB3 1 20 GLN H 0.000 . 3.500 1.902 1.867 2.041 . 0 0 "[ . 1 . 2]" 1
188 1 17 CYS HB3 1 20 GLN HA 0.000 . 3.500 2.988 2.897 3.263 . 0 0 "[ . 1 . 2]" 1
189 1 17 CYS HB3 1 21 SER H 0.000 . 5.000 2.425 2.308 2.696 . 0 0 "[ . 1 . 2]" 1
190 1 17 CYS HB3 1 36 CYS HA 0.000 . 5.500 4.560 4.505 4.622 . 0 0 "[ . 1 . 2]" 1
191 1 17 CYS O 1 20 GLN H 2.200 . 2.200 2.174 2.099 2.219 0.019 20 0 "[ . 1 . 2]" 1
192 1 17 CYS O 1 20 GLN N 3.200 2.900 3.200 2.932 2.883 3.009 0.017 11 0 "[ . 1 . 2]" 1
193 1 18 CYS H 1 18 CYS HB2 0.000 . 2.800 2.335 2.274 2.403 . 0 0 "[ . 1 . 2]" 1
194 1 18 CYS H 1 18 CYS HB3 0.000 . 3.500 3.545 3.532 3.555 0.055 8 0 "[ . 1 . 2]" 1
195 1 18 CYS H 1 19 SER H 0.000 . 3.500 2.590 2.497 2.659 . 0 0 "[ . 1 . 2]" 1
196 1 18 CYS H 1 19 SER HB3 0.000 . 5.000 4.792 4.675 4.976 . 0 0 "[ . 1 . 2]" 1
197 1 18 CYS H 1 20 GLN H 0.000 . 5.000 3.607 3.552 3.641 . 0 0 "[ . 1 . 2]" 1
198 1 18 CYS HA 1 19 SER H 0.000 . 3.500 3.502 3.489 3.515 0.015 2 0 "[ . 1 . 2]" 1
199 1 18 CYS HA 1 20 GLN H 0.000 . 5.000 3.947 3.864 4.024 . 0 0 "[ . 1 . 2]" 1
200 1 18 CYS HB2 1 19 SER H 0.000 . 3.500 2.667 2.583 2.747 . 0 0 "[ . 1 . 2]" 1
201 1 18 CYS HB3 1 19 SER H 0.000 . 3.500 3.533 3.476 3.558 0.058 15 0 "[ . 1 . 2]" 1
202 1 19 SER H 1 19 SER HA 0.000 . 2.800 2.909 2.903 2.916 0.116 17 0 "[ . 1 . 2]" 1
203 1 19 SER H 1 20 GLN H 0.000 . 2.800 2.280 2.253 2.329 . 0 0 "[ . 1 . 2]" 1
204 1 19 SER H 1 20 GLN HA 0.000 . 5.000 4.549 4.513 4.589 . 0 0 "[ . 1 . 2]" 1
205 1 19 SER H 1 21 SER H 0.000 . 5.000 3.468 3.400 3.539 . 0 0 "[ . 1 . 2]" 1
206 1 19 SER HA 1 19 SER HB2 0.000 . 2.800 2.302 2.268 2.347 . 0 0 "[ . 1 . 2]" 1
207 1 19 SER HA 1 19 SER HB3 0.000 . 2.800 2.633 2.566 2.692 . 0 0 "[ . 1 . 2]" 1
208 1 19 SER HA 1 20 GLN H 0.000 . 3.500 3.330 3.283 3.358 . 0 0 "[ . 1 . 2]" 1
209 1 19 SER HA 1 21 SER H 0.000 . 5.000 4.232 4.160 4.276 . 0 0 "[ . 1 . 2]" 1
210 1 19 SER QB 1 37 ASP HB2 0.000 . 6.000 4.092 3.609 4.849 . 0 0 "[ . 1 . 2]" 1
211 1 19 SER QB 1 37 ASP HB3 0.000 . 6.000 4.443 3.975 5.245 . 0 0 "[ . 1 . 2]" 1
212 1 19 SER HB2 1 21 SER H 0.000 . 5.000 3.923 3.720 4.009 . 0 0 "[ . 1 . 2]" 1
213 1 19 SER HB3 1 21 SER H 0.000 . 5.000 3.973 3.854 4.072 . 0 0 "[ . 1 . 2]" 1
214 1 19 SER OG 1 21 SER H 2.200 . 2.200 2.230 2.207 2.253 0.053 1 0 "[ . 1 . 2]" 1
215 1 19 SER OG 1 21 SER N 3.200 2.900 3.200 3.068 3.051 3.120 . 0 0 "[ . 1 . 2]" 1
216 1 20 GLN H 1 20 GLN HA 0.000 . 2.800 2.296 2.284 2.303 . 0 0 "[ . 1 . 2]" 1
217 1 20 GLN H 1 20 GLN HE21 0.000 . 5.000 4.497 2.982 5.012 0.012 6 0 "[ . 1 . 2]" 1
218 1 20 GLN H 1 20 GLN HE22 0.000 . 5.000 4.716 4.245 5.019 0.019 14 0 "[ . 1 . 2]" 1
219 1 20 GLN H 1 21 SER H 0.000 . 3.500 2.555 2.512 2.627 . 0 0 "[ . 1 . 2]" 1
220 1 20 GLN HA 1 20 GLN HB3 0.000 . 2.800 2.709 2.399 2.871 0.071 7 0 "[ . 1 . 2]" 1
221 1 20 GLN HA 1 20 GLN HE21 0.000 . 5.000 3.350 1.867 4.223 . 0 0 "[ . 1 . 2]" 1
222 1 20 GLN HA 1 20 GLN HE22 0.000 . 5.000 3.796 3.150 4.294 . 0 0 "[ . 1 . 2]" 1
223 1 20 GLN HA 1 21 SER H 0.000 . 3.500 3.217 3.172 3.271 . 0 0 "[ . 1 . 2]" 1
224 1 20 GLN QG 1 21 SER H 0.000 . 6.000 4.698 4.209 4.922 . 0 0 "[ . 1 . 2]" 1
225 1 21 SER H 1 21 SER HB2 0.000 . 3.500 2.517 2.347 3.435 . 0 0 "[ . 1 . 2]" 1
226 1 21 SER H 1 21 SER HB3 0.000 . 3.500 3.556 3.528 3.583 0.083 17 0 "[ . 1 . 2]" 1
227 1 21 SER H 1 22 CYS H 0.000 . 5.000 4.175 4.089 4.299 . 0 0 "[ . 1 . 2]" 1
228 1 21 SER H 1 37 ASP H 0.000 . 5.000 4.337 3.992 4.768 . 0 0 "[ . 1 . 2]" 1
229 1 21 SER H 1 37 ASP HB2 0.000 . 5.000 3.914 3.638 4.477 . 0 0 "[ . 1 . 2]" 1
230 1 21 SER HA 1 22 CYS H 0.000 . 2.800 2.170 2.137 2.211 . 0 0 "[ . 1 . 2]" 1
231 1 21 SER HB2 1 22 CYS H 0.000 . 5.000 4.446 3.667 4.582 . 0 0 "[ . 1 . 2]" 1
232 1 21 SER HB2 1 37 ASP H 0.000 . 5.000 3.935 3.256 4.242 . 0 0 "[ . 1 . 2]" 1
233 1 21 SER HB2 1 37 ASP HB2 0.000 . 3.500 2.377 1.866 2.553 . 0 0 "[ . 1 . 2]" 1
234 1 21 SER HB2 1 37 ASP HB3 0.000 . 3.500 3.487 3.209 3.542 0.042 8 0 "[ . 1 . 2]" 1
235 1 21 SER HB3 1 22 CYS H 0.000 . 5.000 3.785 3.598 4.085 . 0 0 "[ . 1 . 2]" 1
236 1 21 SER HB3 1 37 ASP H 0.000 . 5.000 4.080 3.616 5.033 0.033 2 0 "[ . 1 . 2]" 1
237 1 21 SER HB3 1 37 ASP HB2 0.000 . 3.500 2.591 2.096 3.508 0.008 17 0 "[ . 1 . 2]" 1
238 1 21 SER HB3 1 37 ASP HB3 0.000 . 5.000 3.648 3.199 4.577 . 0 0 "[ . 1 . 2]" 1
239 1 21 SER O 1 37 ASP H 2.200 . 2.200 2.079 2.044 2.164 . 0 0 "[ . 1 . 2]" 1
240 1 21 SER O 1 37 ASP N 3.200 2.900 3.200 2.995 2.925 3.122 . 0 0 "[ . 1 . 2]" 1
241 1 22 CYS H 1 22 CYS HB2 0.000 . 3.500 2.296 2.269 2.362 . 0 0 "[ . 1 . 2]" 1
242 1 22 CYS H 1 22 CYS HB3 0.000 . 3.500 3.531 3.509 3.556 0.056 12 0 "[ . 1 . 2]" 1
243 1 22 CYS H 1 23 THR H 0.000 . 5.000 4.515 4.447 4.552 . 0 0 "[ . 1 . 2]" 1
244 1 22 CYS H 1 23 THR MG 0.000 . 6.500 4.931 4.722 5.137 . 0 0 "[ . 1 . 2]" 1
245 1 22 CYS HA 1 23 THR H 0.000 . 3.500 2.243 2.181 2.363 . 0 0 "[ . 1 . 2]" 1
246 1 22 CYS HA 1 23 THR HA 0.000 . 5.000 4.453 4.424 4.505 . 0 0 "[ . 1 . 2]" 1
247 1 22 CYS HA 1 36 CYS HA 0.000 . 3.500 2.640 2.556 2.824 . 0 0 "[ . 1 . 2]" 1
248 1 22 CYS HA 1 37 ASP H 0.000 . 5.000 3.228 2.847 3.525 . 0 0 "[ . 1 . 2]" 1
249 1 22 CYS HB2 1 23 THR H 0.000 . 5.000 4.168 3.936 4.311 . 0 0 "[ . 1 . 2]" 1
250 1 22 CYS HB3 1 23 THR H 0.000 . 3.500 2.979 2.603 3.233 . 0 0 "[ . 1 . 2]" 1
251 1 23 THR H 1 23 THR HB 0.000 . 3.500 3.440 3.299 3.525 0.025 4 0 "[ . 1 . 2]" 1
252 1 23 THR H 1 35 ARG H 0.000 . 5.000 3.131 2.851 3.409 . 0 0 "[ . 1 . 2]" 1
253 1 23 THR H 1 36 CYS HA 0.000 . 5.000 3.537 3.380 3.713 . 0 0 "[ . 1 . 2]" 1
254 1 23 THR H 1 37 ASP H 0.000 . 5.000 4.186 3.520 4.726 . 0 0 "[ . 1 . 2]" 1
255 1 23 THR HA 1 23 THR HB 0.000 . 2.800 2.317 2.292 2.362 . 0 0 "[ . 1 . 2]" 1
256 1 23 THR HA 1 24 PHE H 0.000 . 2.800 2.544 2.500 2.569 . 0 0 "[ . 1 . 2]" 1
257 1 23 THR HB 1 24 PHE H 0.000 . 3.500 3.415 3.340 3.521 0.021 8 0 "[ . 1 . 2]" 1
258 1 23 THR MG 1 24 PHE H 0.000 . 5.000 3.580 3.423 3.643 . 0 0 "[ . 1 . 2]" 1
259 1 23 THR MG 1 36 CYS H 0.000 . 5.000 4.068 3.987 4.161 . 0 0 "[ . 1 . 2]" 1
260 1 23 THR MG 1 36 CYS HA 0.000 . 6.500 3.381 3.305 3.466 . 0 0 "[ . 1 . 2]" 1
261 1 23 THR MG 1 37 ASP H 0.000 . 6.500 3.068 2.414 3.506 . 0 0 "[ . 1 . 2]" 1
262 1 23 THR O 1 35 ARG H 2.200 . 2.200 2.081 2.051 2.108 . 0 0 "[ . 1 . 2]" 1
263 1 23 THR O 1 35 ARG N 3.200 2.900 3.200 2.870 2.830 2.896 0.070 6 0 "[ . 1 . 2]" 1
264 1 24 PHE CG 1 25 LYS H 0.000 . 5.500 4.148 4.081 4.278 . 0 0 "[ . 1 . 2]" 1
265 1 24 PHE CG 1 32 THR HB 0.000 . 7.000 5.996 5.771 6.215 . 0 0 "[ . 1 . 2]" 1
266 1 24 PHE CG 1 32 THR MG 0.000 . 5.300 3.458 3.367 3.544 . 0 0 "[ . 1 . 2]" 1
267 1 24 PHE CG 1 33 VAL H 0.000 . 7.000 5.244 4.976 5.390 . 0 0 "[ . 1 . 2]" 1
268 1 24 PHE CG 1 33 VAL HA 0.000 . 7.000 4.912 4.794 5.018 . 0 0 "[ . 1 . 2]" 1
269 1 24 PHE CG 1 34 LYS H 0.000 . 7.000 5.266 5.145 5.351 . 0 0 "[ . 1 . 2]" 1
270 1 24 PHE CG 1 34 LYS HA 0.000 . 7.000 3.708 3.671 3.768 . 0 0 "[ . 1 . 2]" 1
271 1 24 PHE CG 1 34 LYS HG2 0.000 . 5.500 3.406 3.354 3.499 . 0 0 "[ . 1 . 2]" 1
272 1 24 PHE CG 1 34 LYS HG3 0.000 . 5.500 2.517 2.455 2.593 . 0 0 "[ . 1 . 2]" 1
273 1 24 PHE CZ 1 24 PHE H 0.000 . 7.000 6.631 6.546 6.740 . 0 0 "[ . 1 . 2]" 1
274 1 24 PHE CZ 1 32 THR MG 0.000 . 7.000 3.311 3.203 3.551 . 0 0 "[ . 1 . 2]" 1
275 1 24 PHE CZ 1 33 VAL H 0.000 . 7.000 5.678 5.471 5.886 . 0 0 "[ . 1 . 2]" 1
276 1 24 PHE CZ 1 33 VAL HA 0.000 . 7.000 3.924 3.649 4.129 . 0 0 "[ . 1 . 2]" 1
277 1 24 PHE CZ 1 34 LYS H 0.000 . 7.000 4.684 4.450 4.858 . 0 0 "[ . 1 . 2]" 1
278 1 24 PHE CZ 1 34 LYS HG2 0.000 . 7.000 4.164 4.004 4.367 . 0 0 "[ . 1 . 2]" 1
279 1 24 PHE CZ 1 34 LYS HG3 0.000 . 5.500 2.581 2.503 2.706 . 0 0 "[ . 1 . 2]" 1
280 1 24 PHE H 1 24 PHE QB 0.000 . 3.800 2.370 2.321 2.431 . 0 0 "[ . 1 . 2]" 1
281 1 24 PHE H 1 25 LYS H 0.000 . 5.000 4.226 4.137 4.301 . 0 0 "[ . 1 . 2]" 1
282 1 24 PHE H 1 34 LYS HG2 0.000 . 5.000 4.303 4.203 4.423 . 0 0 "[ . 1 . 2]" 1
283 1 24 PHE H 1 34 LYS HG3 0.000 . 5.000 5.027 5.012 5.050 0.050 2 0 "[ . 1 . 2]" 1
284 1 24 PHE HA 1 25 LYS H 0.000 . 2.800 2.155 2.150 2.171 . 0 0 "[ . 1 . 2]" 1
285 1 24 PHE HA 1 34 LYS HA 0.000 . 2.800 2.043 2.014 2.071 . 0 0 "[ . 1 . 2]" 1
286 1 24 PHE HA 1 34 LYS HB3 0.000 . 5.000 4.404 4.344 4.497 . 0 0 "[ . 1 . 2]" 1
287 1 24 PHE HA 1 34 LYS HG2 0.000 . 5.000 3.076 3.015 3.130 . 0 0 "[ . 1 . 2]" 1
288 1 24 PHE HA 1 34 LYS HG3 0.000 . 5.000 2.926 2.853 3.009 . 0 0 "[ . 1 . 2]" 1
289 1 24 PHE QB 1 25 LYS HA 0.000 . 6.000 4.225 4.160 4.326 . 0 0 "[ . 1 . 2]" 1
290 1 24 PHE QB 1 32 THR MG 0.000 . 5.300 3.645 3.578 3.677 . 0 0 "[ . 1 . 2]" 1
291 1 24 PHE QB 1 34 LYS HA 0.000 . 4.500 4.146 4.128 4.168 . 0 0 "[ . 1 . 2]" 1
292 1 24 PHE QB 1 34 LYS HG2 0.000 . 6.000 3.773 3.639 3.871 . 0 0 "[ . 1 . 2]" 1
293 1 24 PHE QB 1 34 LYS HG3 0.000 . 6.000 3.693 3.591 3.752 . 0 0 "[ . 1 . 2]" 1
294 1 24 PHE QB 1 35 ARG H 0.000 . 6.000 5.223 5.169 5.293 . 0 0 "[ . 1 . 2]" 1
295 1 24 PHE HZ 1 33 VAL HA 0.000 . 5.000 4.020 3.697 4.259 . 0 0 "[ . 1 . 2]" 1
296 1 25 LYS H 1 25 LYS QD 0.000 . 6.000 4.402 3.662 4.662 . 0 0 "[ . 1 . 2]" 1
297 1 25 LYS H 1 25 LYS QG 0.000 . 4.500 3.709 2.727 4.077 . 0 0 "[ . 1 . 2]" 1
298 1 25 LYS H 1 26 GLU H 0.000 . 5.000 4.503 4.448 4.544 . 0 0 "[ . 1 . 2]" 1
299 1 25 LYS H 1 32 THR MG 0.000 . 6.500 4.994 4.865 5.261 . 0 0 "[ . 1 . 2]" 1
300 1 25 LYS H 1 33 VAL H 0.000 . 3.500 3.550 3.524 3.571 0.071 20 0 "[ . 1 . 2]" 1
301 1 25 LYS H 1 33 VAL QG 0.000 . 7.400 4.530 4.436 4.634 . 0 0 "[ . 1 . 2]" 1
302 1 25 LYS H 1 33 VAL O 2.200 . 2.200 2.079 2.054 2.152 . 0 0 "[ . 1 . 2]" 1
303 1 25 LYS H 1 34 LYS HA 0.000 . 5.000 3.024 2.934 3.087 . 0 0 "[ . 1 . 2]" 1
304 1 25 LYS H 1 34 LYS HG2 0.000 . 5.000 5.021 4.965 5.042 0.042 2 0 "[ . 1 . 2]" 1
305 1 25 LYS H 1 35 ARG QD 0.000 . 4.500 3.544 3.007 3.733 . 0 0 "[ . 1 . 2]" 1
306 1 25 LYS QB 1 26 GLU H 0.000 . 3.800 3.107 2.594 3.445 . 0 0 "[ . 1 . 2]" 1
307 1 25 LYS QB 1 35 ARG HE 0.000 . 6.000 3.482 1.857 4.489 . 0 0 "[ . 1 . 2]" 1
308 1 25 LYS QD 1 26 GLU H 0.000 . 6.000 3.593 1.869 5.067 . 0 0 "[ . 1 . 2]" 1
309 1 25 LYS QD 1 33 VAL QG 0.000 . 8.900 5.619 4.915 5.888 . 0 0 "[ . 1 . 2]" 1
310 1 25 LYS QD 1 35 ARG HE 0.000 . 6.000 4.190 2.776 5.026 . 0 0 "[ . 1 . 2]" 1
311 1 25 LYS QG 1 35 ARG HE 0.000 . 6.000 5.039 3.176 5.358 . 0 0 "[ . 1 . 2]" 1
312 1 25 LYS HG2 1 26 GLU H 0.000 . 5.000 3.041 1.917 4.178 . 0 0 "[ . 1 . 2]" 1
313 1 25 LYS HG3 1 26 GLU H 0.000 . 5.000 3.839 2.187 5.015 0.015 14 0 "[ . 1 . 2]" 1
314 1 25 LYS N 1 33 VAL O 3.200 2.900 3.200 2.861 2.831 2.886 0.069 3 0 "[ . 1 . 2]" 1
315 1 25 LYS O 1 33 VAL H 2.200 . 2.200 2.089 2.063 2.173 . 0 0 "[ . 1 . 2]" 1
316 1 25 LYS O 1 33 VAL N 3.200 2.900 3.200 2.966 2.917 3.030 . 0 0 "[ . 1 . 2]" 1
317 1 26 GLU H 1 26 GLU HA 0.000 . 2.800 2.911 2.900 2.931 0.131 19 0 "[ . 1 . 2]" 1
318 1 26 GLU H 1 26 GLU HB2 0.000 . 2.800 2.530 2.374 2.806 0.006 20 0 "[ . 1 . 2]" 1
319 1 26 GLU H 1 26 GLU HB3 0.000 . 2.800 2.726 2.409 2.830 0.030 15 0 "[ . 1 . 2]" 1
320 1 26 GLU H 1 26 GLU HG2 0.000 . 5.000 4.623 4.366 4.765 . 0 0 "[ . 1 . 2]" 1
321 1 26 GLU H 1 26 GLU HG3 0.000 . 5.000 4.415 4.286 4.623 . 0 0 "[ . 1 . 2]" 1
322 1 26 GLU HA 1 27 ASN H 0.000 . 2.800 2.200 2.182 2.274 . 0 0 "[ . 1 . 2]" 1
323 1 26 GLU HA 1 32 THR HA 0.000 . 2.800 2.200 2.017 2.335 . 0 0 "[ . 1 . 2]" 1
324 1 26 GLU HA 1 32 THR MG 0.000 . 6.500 4.496 4.311 4.617 . 0 0 "[ . 1 . 2]" 1
325 1 26 GLU HB2 1 27 ASN H 0.000 . 4.500 4.206 3.919 4.293 . 0 0 "[ . 1 . 2]" 1
326 1 26 GLU HB3 1 27 ASN H 0.000 . 4.500 3.782 3.462 4.023 . 0 0 "[ . 1 . 2]" 1
327 1 26 GLU HG2 1 27 ASN H 0.000 . 5.000 3.130 2.233 3.841 . 0 0 "[ . 1 . 2]" 1
328 1 26 GLU HG3 1 27 ASN H 0.000 . 5.000 2.622 2.091 3.435 . 0 0 "[ . 1 . 2]" 1
329 1 27 ASN H 1 27 ASN HB2 0.000 . 3.500 3.190 3.072 3.348 . 0 0 "[ . 1 . 2]" 1
330 1 27 ASN H 1 27 ASN HB3 0.000 . 3.500 3.541 3.508 3.557 0.057 5 0 "[ . 1 . 2]" 1
331 1 27 ASN H 1 27 ASN HD21 0.000 . 5.000 3.635 3.357 3.720 . 0 0 "[ . 1 . 2]" 1
332 1 27 ASN H 1 27 ASN HD22 0.000 . 5.000 3.540 3.392 3.594 . 0 0 "[ . 1 . 2]" 1
333 1 27 ASN H 1 31 ASN H 0.000 . 3.500 3.491 3.250 3.528 0.028 18 0 "[ . 1 . 2]" 1
334 1 27 ASN H 1 31 ASN O 2.200 . 2.200 2.061 2.038 2.083 . 0 0 "[ . 1 . 2]" 1
335 1 27 ASN H 1 33 VAL QG 0.000 . 7.900 4.056 3.891 4.210 . 0 0 "[ . 1 . 2]" 1
336 1 27 ASN HA 1 28 GLU H 0.000 . 3.500 2.653 2.581 2.708 . 0 0 "[ . 1 . 2]" 1
337 1 27 ASN HA 1 33 VAL MG2 0.000 . 6.500 4.857 4.533 5.132 . 0 0 "[ . 1 . 2]" 1
338 1 27 ASN HB2 1 28 GLU H 0.000 . 3.500 2.224 1.954 2.369 . 0 0 "[ . 1 . 2]" 1
339 1 27 ASN HB2 1 29 ASN H 0.000 . 5.000 2.098 2.014 2.456 . 0 0 "[ . 1 . 2]" 1
340 1 27 ASN HB2 1 30 GLY H 0.000 . 5.000 3.354 3.339 3.390 . 0 0 "[ . 1 . 2]" 1
341 1 27 ASN HB2 1 33 VAL QG 0.000 . 7.900 4.340 4.036 4.628 . 0 0 "[ . 1 . 2]" 1
342 1 27 ASN HB3 1 28 GLU H 0.000 . 2.800 2.668 2.485 2.841 0.041 20 0 "[ . 1 . 2]" 1
343 1 27 ASN HB3 1 29 ASN H 0.000 . 5.000 3.570 3.417 4.035 . 0 0 "[ . 1 . 2]" 1
344 1 27 ASN HB3 1 30 GLY H 0.000 . 5.000 5.039 5.028 5.072 0.072 9 0 "[ . 1 . 2]" 1
345 1 27 ASN HB3 1 33 VAL QG 0.000 . 7.900 3.759 3.351 4.260 . 0 0 "[ . 1 . 2]" 1
346 1 27 ASN HD21 1 28 GLU H 0.000 . 5.000 4.331 3.947 4.494 . 0 0 "[ . 1 . 2]" 1
347 1 27 ASN HD21 1 29 ASN H 0.000 . 5.000 3.369 3.305 3.395 . 0 0 "[ . 1 . 2]" 1
348 1 27 ASN HD21 1 31 ASN H 0.000 . 5.000 2.787 2.574 3.006 . 0 0 "[ . 1 . 2]" 1
349 1 27 ASN HD21 1 31 ASN HB2 0.000 . 5.000 2.400 2.129 3.017 . 0 0 "[ . 1 . 2]" 1
350 1 27 ASN HD21 1 31 ASN HB3 0.000 . 5.000 3.413 3.100 3.752 . 0 0 "[ . 1 . 2]" 1
351 1 27 ASN HD21 1 33 VAL QG 0.000 . 7.900 3.519 3.277 3.908 . 0 0 "[ . 1 . 2]" 1
352 1 27 ASN HD22 1 29 ASN H 0.000 . 5.000 5.015 5.002 5.033 0.033 10 0 "[ . 1 . 2]" 1
353 1 27 ASN HD22 1 31 ASN H 0.000 . 5.000 3.414 2.661 3.739 . 0 0 "[ . 1 . 2]" 1
354 1 27 ASN HD22 1 31 ASN HB2 0.000 . 3.500 2.426 2.180 2.766 . 0 0 "[ . 1 . 2]" 1
355 1 27 ASN HD22 1 31 ASN HB3 0.000 . 3.500 2.406 2.131 2.710 . 0 0 "[ . 1 . 2]" 1
356 1 27 ASN HD22 1 33 VAL QG 0.000 . 7.900 2.411 2.147 3.039 . 0 0 "[ . 1 . 2]" 1
357 1 27 ASN N 1 31 ASN O 3.200 2.900 3.200 3.018 2.983 3.051 . 0 0 "[ . 1 . 2]" 1
358 1 28 GLU H 1 28 GLU HA 0.000 . 2.800 2.906 2.905 2.907 0.107 20 0 "[ . 1 . 2]" 1
359 1 28 GLU H 1 28 GLU HB2 0.000 . 2.800 2.618 2.486 2.769 . 0 0 "[ . 1 . 2]" 1
360 1 28 GLU H 1 28 GLU HB3 0.000 . 2.800 2.599 2.445 2.738 . 0 0 "[ . 1 . 2]" 1
361 1 28 GLU H 1 28 GLU QG 0.000 . 4.500 4.025 3.956 4.087 . 0 0 "[ . 1 . 2]" 1
362 1 28 GLU H 1 29 ASN H 0.000 . 3.500 2.211 2.188 2.246 . 0 0 "[ . 1 . 2]" 1
363 1 28 GLU H 1 30 GLY H 0.000 . 5.000 3.990 3.914 4.266 . 0 0 "[ . 1 . 2]" 1
364 1 28 GLU H 1 31 ASN H 0.000 . 5.000 5.036 5.014 5.072 0.072 15 0 "[ . 1 . 2]" 1
365 1 28 GLU HA 1 29 ASN H 0.000 . 3.500 3.427 3.392 3.518 0.018 15 0 "[ . 1 . 2]" 1
366 1 28 GLU HA 1 30 GLY H 0.000 . 5.000 3.562 3.429 4.509 . 0 0 "[ . 1 . 2]" 1
367 1 28 GLU HB2 1 29 ASN H 0.000 . 5.000 4.012 3.749 4.138 . 0 0 "[ . 1 . 2]" 1
368 1 28 GLU HB3 1 29 ASN H 0.000 . 5.000 3.058 2.609 3.204 . 0 0 "[ . 1 . 2]" 1
369 1 28 GLU QG 1 29 ASN H 0.000 . 6.000 4.199 3.871 4.608 . 0 0 "[ . 1 . 2]" 1
370 1 29 ASN H 1 29 ASN HB2 0.000 . 3.500 2.324 2.256 2.638 . 0 0 "[ . 1 . 2]" 1
371 1 29 ASN H 1 29 ASN HB3 0.000 . 2.800 2.760 2.448 2.826 0.026 17 0 "[ . 1 . 2]" 1
372 1 29 ASN H 1 30 GLY H 0.000 . 3.500 2.609 2.523 3.024 . 0 0 "[ . 1 . 2]" 1
373 1 29 ASN H 1 31 ASN H 0.000 . 5.000 3.758 3.582 4.464 . 0 0 "[ . 1 . 2]" 1
374 1 29 ASN HB2 1 30 GLY H 0.000 . 5.000 3.964 3.791 4.047 . 0 0 "[ . 1 . 2]" 1
375 1 29 ASN HB3 1 29 ASN HD21 0.000 . 3.500 2.230 2.154 2.286 . 0 0 "[ . 1 . 2]" 1
376 1 29 ASN HB3 1 29 ASN HD22 0.000 . 3.500 3.492 3.463 3.512 0.012 9 0 "[ . 1 . 2]" 1
377 1 29 ASN HB3 1 30 GLY H 0.000 . 5.000 3.137 2.348 3.309 . 0 0 "[ . 1 . 2]" 1
378 1 29 ASN HB3 1 30 GLY HA3 0.000 . 5.000 4.648 4.588 4.707 . 0 0 "[ . 1 . 2]" 1
379 1 29 ASN QD 1 31 ASN HD21 0.000 . 6.000 3.493 2.447 5.332 . 0 0 "[ . 1 . 2]" 1
380 1 30 GLY H 1 30 GLY HA2 0.000 . 2.800 2.389 2.354 2.596 . 0 0 "[ . 1 . 2]" 1
381 1 30 GLY H 1 30 GLY HA3 0.000 . 2.800 2.923 2.915 2.942 0.142 20 0 "[ . 1 . 2]" 1
382 1 30 GLY H 1 31 ASN H 0.000 . 2.800 2.104 1.841 2.204 . 0 0 "[ . 1 . 2]" 1
383 1 30 GLY HA2 1 31 ASN H 0.000 . 3.500 3.066 2.853 3.138 . 0 0 "[ . 1 . 2]" 1
384 1 30 GLY HA3 1 31 ASN H 0.000 . 3.500 3.422 3.381 3.526 0.026 15 0 "[ . 1 . 2]" 1
385 1 31 ASN H 1 31 ASN HB2 0.000 . 2.800 2.439 2.314 2.715 . 0 0 "[ . 1 . 2]" 1
386 1 31 ASN H 1 31 ASN HB3 0.000 . 3.500 3.544 3.503 3.581 0.081 19 0 "[ . 1 . 2]" 1
387 1 31 ASN H 1 32 THR H 0.000 . 5.000 4.378 4.310 4.435 . 0 0 "[ . 1 . 2]" 1
388 1 31 ASN HA 1 32 THR H 0.000 . 2.800 2.665 2.574 2.743 . 0 0 "[ . 1 . 2]" 1
389 1 31 ASN HA 1 32 THR MG 0.000 . 6.500 4.282 4.132 4.415 . 0 0 "[ . 1 . 2]" 1
390 1 31 ASN HB2 1 31 ASN HD21 0.000 . 3.500 2.599 2.148 3.506 0.006 15 0 "[ . 1 . 2]" 1
391 1 31 ASN HB2 1 32 THR H 0.000 . 3.500 3.498 3.441 3.530 0.030 14 0 "[ . 1 . 2]" 1
392 1 31 ASN HB2 1 33 VAL QG 0.000 . 7.900 4.160 3.923 4.529 . 0 0 "[ . 1 . 2]" 1
393 1 31 ASN HB3 1 31 ASN HD21 0.000 . 3.500 2.817 2.139 3.502 0.002 9 0 "[ . 1 . 2]" 1
394 1 31 ASN HB3 1 32 THR H 0.000 . 3.500 1.979 1.907 2.087 . 0 0 "[ . 1 . 2]" 1
395 1 31 ASN HB3 1 33 VAL QG 0.000 . 7.900 3.474 3.333 3.647 . 0 0 "[ . 1 . 2]" 1
396 1 32 THR H 1 32 THR HB 0.000 . 3.500 3.018 2.979 3.075 . 0 0 "[ . 1 . 2]" 1
397 1 32 THR H 1 32 THR MG 0.000 . 4.300 2.552 2.458 2.620 . 0 0 "[ . 1 . 2]" 1
398 1 32 THR H 1 33 VAL H 0.000 . 5.000 4.226 4.154 4.330 . 0 0 "[ . 1 . 2]" 1
399 1 32 THR H 1 33 VAL QG 0.000 . 7.900 3.622 3.486 3.749 . 0 0 "[ . 1 . 2]" 1
400 1 32 THR HA 1 33 VAL H 0.000 . 2.800 2.150 2.132 2.188 . 0 0 "[ . 1 . 2]" 1
401 1 32 THR HA 1 33 VAL HB 0.000 . 5.000 4.954 4.935 4.970 . 0 0 "[ . 1 . 2]" 1
402 1 32 THR HA 1 33 VAL QG 0.000 . 7.900 3.214 3.121 3.277 . 0 0 "[ . 1 . 2]" 1
403 1 32 THR MG 1 33 VAL H 0.000 . 5.000 3.615 3.491 3.735 . 0 0 "[ . 1 . 2]" 1
404 1 33 VAL H 1 33 VAL HB 0.000 . 3.500 2.935 2.890 2.995 . 0 0 "[ . 1 . 2]" 1
405 1 33 VAL HA 1 34 LYS H 0.000 . 2.800 2.625 2.568 2.685 . 0 0 "[ . 1 . 2]" 1
406 1 33 VAL HB 1 34 LYS H 0.000 . 2.800 2.735 2.626 2.825 0.025 16 0 "[ . 1 . 2]" 1
407 1 33 VAL HB 1 35 ARG HE 0.000 . 5.000 3.850 2.736 4.869 . 0 0 "[ . 1 . 2]" 1
408 1 33 VAL QG 1 35 ARG HA 0.000 . 7.900 4.888 4.816 4.969 . 0 0 "[ . 1 . 2]" 1
409 1 33 VAL QG 1 35 ARG HD2 0.000 . 7.900 4.959 4.091 5.419 . 0 0 "[ . 1 . 2]" 1
410 1 33 VAL QG 1 35 ARG HD3 0.000 . 7.900 5.646 5.253 5.851 . 0 0 "[ . 1 . 2]" 1
411 1 33 VAL QG 1 35 ARG HE 0.000 . 6.400 3.981 3.276 4.697 . 0 0 "[ . 1 . 2]" 1
412 1 33 VAL QG 1 35 ARG HG2 0.000 . 7.900 5.002 4.486 5.536 . 0 0 "[ . 1 . 2]" 1
413 1 33 VAL QG 1 35 ARG HG3 0.000 . 7.900 4.046 3.894 4.351 . 0 0 "[ . 1 . 2]" 1
414 1 33 VAL MG1 1 34 LYS H 0.000 . 3.800 1.899 1.828 1.956 . 0 0 "[ . 1 . 2]" 1
415 1 34 LYS H 1 34 LYS HB2 0.000 . 2.800 2.359 2.318 2.391 . 0 0 "[ . 1 . 2]" 1
416 1 34 LYS H 1 34 LYS HB3 0.000 . 3.500 3.520 3.496 3.546 0.046 17 0 "[ . 1 . 2]" 1
417 1 34 LYS H 1 34 LYS HG2 0.000 . 5.000 4.505 4.471 4.541 . 0 0 "[ . 1 . 2]" 1
418 1 34 LYS H 1 34 LYS HG3 0.000 . 3.500 3.530 3.507 3.553 0.053 4 0 "[ . 1 . 2]" 1
419 1 34 LYS HA 1 34 LYS HG2 0.000 . 3.500 2.535 2.467 2.599 . 0 0 "[ . 1 . 2]" 1
420 1 34 LYS HA 1 35 ARG H 0.000 . 2.800 2.161 2.127 2.205 . 0 0 "[ . 1 . 2]" 1
421 1 34 LYS QB 1 35 ARG H 0.000 . 6.000 3.269 3.085 3.426 . 0 0 "[ . 1 . 2]" 1
422 1 34 LYS HG2 1 35 ARG H 0.000 . 5.000 3.803 3.620 3.967 . 0 0 "[ . 1 . 2]" 1
423 1 34 LYS HG3 1 35 ARG H 0.000 . 5.000 4.440 4.398 4.486 . 0 0 "[ . 1 . 2]" 1
424 1 35 ARG H 1 35 ARG HG2 0.000 . 5.000 4.406 4.066 4.662 . 0 0 "[ . 1 . 2]" 1
425 1 35 ARG H 1 35 ARG HG3 0.000 . 5.000 3.230 2.794 3.708 . 0 0 "[ . 1 . 2]" 1
426 1 35 ARG HA 1 35 ARG HG2 0.000 . 3.500 2.789 2.591 3.046 . 0 0 "[ . 1 . 2]" 1
427 1 35 ARG HA 1 35 ARG HG3 0.000 . 3.500 2.500 2.096 2.876 . 0 0 "[ . 1 . 2]" 1
428 1 35 ARG HA 1 36 CYS H 0.000 . 2.800 2.699 2.612 2.738 . 0 0 "[ . 1 . 2]" 1
429 1 35 ARG QB 1 35 ARG HE 0.000 . 4.500 3.941 3.702 4.133 . 0 0 "[ . 1 . 2]" 1
430 1 35 ARG HB2 1 36 CYS H 0.000 . 3.500 3.237 3.000 3.472 . 0 0 "[ . 1 . 2]" 1
431 1 35 ARG HB3 1 36 CYS H 0.000 . 3.500 1.886 1.847 1.998 . 0 0 "[ . 1 . 2]" 1
432 1 35 ARG HD2 1 35 ARG HE 0.000 . 2.800 2.720 2.298 2.872 0.072 4 0 "[ . 1 . 2]" 1
433 1 35 ARG HD3 1 35 ARG HE 0.000 . 2.800 2.785 2.308 2.887 0.087 2 0 "[ . 1 . 2]" 1
434 1 35 ARG HE 1 35 ARG HG2 0.000 . 3.500 2.833 2.131 3.526 0.026 7 0 "[ . 1 . 2]" 1
435 1 35 ARG HE 1 35 ARG HG3 0.000 . 3.500 2.605 2.101 3.507 0.007 16 0 "[ . 1 . 2]" 1
436 1 35 ARG QG 1 36 CYS H 0.000 . 6.000 3.457 3.172 3.739 . 0 0 "[ . 1 . 2]" 1
437 1 36 CYS H 1 36 CYS HB2 0.000 . 3.500 2.600 2.568 2.623 . 0 0 "[ . 1 . 2]" 1
438 1 36 CYS H 1 36 CYS HB3 0.000 . 3.500 2.853 2.810 2.891 . 0 0 "[ . 1 . 2]" 1
439 1 36 CYS H 1 37 ASP H 0.000 . 5.000 4.438 4.275 4.519 . 0 0 "[ . 1 . 2]" 1
440 1 36 CYS HA 1 37 ASP H 0.000 . 2.800 2.177 2.119 2.261 . 0 0 "[ . 1 . 2]" 1
441 1 36 CYS HB2 1 37 ASP H 0.000 . 5.000 4.303 4.158 4.508 . 0 0 "[ . 1 . 2]" 1
442 1 37 ASP H 1 37 ASP HB2 0.000 . 2.800 2.190 2.146 2.282 . 0 0 "[ . 1 . 2]" 1
443 1 37 ASP H 1 37 ASP HB3 0.000 . 3.500 3.494 3.466 3.545 0.045 7 0 "[ . 1 . 2]" 1
444 1 37 ASP HA 1 37 ASP HB3 0.000 . 2.800 2.662 2.628 2.671 . 0 0 "[ . 1 . 2]" 1
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