NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
625872 |
5xa6   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5xa6
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 399
_Distance_constraint_stats_list.Viol_count 725
_Distance_constraint_stats_list.Viol_total 1563.423
_Distance_constraint_stats_list.Viol_max 3.498
_Distance_constraint_stats_list.Viol_rms 0.1136
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0098
_Distance_constraint_stats_list.Viol_average_violations_only 0.1078
_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 0.116 0.040 19 0 "[ . 1 . 2]"
1 2 PHE 47.808 3.498 6 18 "[*****+*****-**** **]"
1 3 GLY 2.659 0.186 17 0 "[ . 1 . 2]"
1 4 CYS 1.762 0.108 3 0 "[ . 1 . 2]"
1 5 PRO 0.282 0.042 4 0 "[ . 1 . 2]"
1 6 PHE 0.346 0.042 4 0 "[ . 1 . 2]"
1 7 ASN 0.324 0.042 15 0 "[ . 1 . 2]"
1 8 GLN 0.916 0.071 20 0 "[ . 1 . 2]"
1 9 GLY 1.533 0.160 15 0 "[ . 1 . 2]"
1 10 LYS 13.291 1.876 20 7 "[ .* * 1*- * *+]"
1 11 CYS 1.195 0.109 15 0 "[ . 1 . 2]"
1 12 HIS 2.286 0.160 15 0 "[ . 1 . 2]"
1 13 ARG 1.371 0.092 11 0 "[ . 1 . 2]"
1 14 HIS 1.540 0.094 15 0 "[ . 1 . 2]"
1 15 CYS 12.518 1.554 14 10 "[** ** 1 *+-*** 2]"
1 16 ARG 0.183 0.055 9 0 "[ . 1 . 2]"
1 17 SER 0.274 0.054 2 0 "[ . 1 . 2]"
1 18 ILE 11.844 1.554 14 10 "[** ** 1 *+-*** 2]"
1 19 ARG 0.664 0.073 19 0 "[ . 1 . 2]"
1 20 ARG 2.253 0.238 16 0 "[ . 1 . 2]"
1 21 ARG 1.750 0.153 19 0 "[ . 1 . 2]"
1 22 GLY 0.394 0.048 1 0 "[ . 1 . 2]"
1 23 GLY 1.082 0.083 17 0 "[ . 1 . 2]"
1 24 TYR 1.150 0.083 17 0 "[ . 1 . 2]"
1 25 CYS 0.349 0.109 18 0 "[ . 1 . 2]"
1 26 ASP 0.597 0.159 20 0 "[ . 1 . 2]"
1 27 GLY 0.061 0.020 5 0 "[ . 1 . 2]"
1 28 PHE 0.087 0.020 5 0 "[ . 1 . 2]"
1 29 LEU 0.362 0.113 8 0 "[ . 1 . 2]"
1 30 LYS 35.489 3.498 6 17 "[****-+********.* **]"
1 31 GLN 0.460 0.050 11 0 "[ . 1 . 2]"
1 32 ARG 0.841 0.159 20 0 "[ . 1 . 2]"
1 33 CYS 0.278 0.109 15 0 "[ . 1 . 2]"
1 34 VAL 0.840 0.174 12 0 "[ . 1 . 2]"
1 35 CYS 1.022 0.083 7 0 "[ . 1 . 2]"
1 36 TYR 1.167 0.080 5 0 "[ . 1 . 2]"
1 37 ARG 1.711 0.119 19 0 "[ . 1 . 2]"
1 38 LYS 0.030 0.019 15 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 HA2 1 2 PHE H 1.800 . 3.000 2.774 2.292 3.040 0.040 19 0 "[ . 1 . 2]" 1
2 1 1 GLY HA2 1 30 LYS H 1.800 . 5.000 3.914 2.710 5.001 0.001 4 0 "[ . 1 . 2]" 1
3 1 1 GLY HA2 1 31 GLN H 1.800 . 5.000 3.861 1.777 4.964 0.023 19 0 "[ . 1 . 2]" 1
4 1 1 GLY HA3 1 2 PHE H 1.800 . 3.000 2.422 2.209 2.902 . 0 0 "[ . 1 . 2]" 1
5 1 1 GLY HA3 1 28 PHE H 1.800 . 5.800 4.735 3.380 5.789 . 0 0 "[ . 1 . 2]" 1
6 1 1 GLY HA3 1 29 LEU H 1.800 . 5.000 4.247 2.809 5.001 0.001 19 0 "[ . 1 . 2]" 1
7 1 1 GLY HA3 1 30 LYS H 1.800 . 5.800 4.074 2.440 5.572 . 0 0 "[ . 1 . 2]" 1
8 1 1 GLY HA3 1 30 LYS HA 1.800 . 4.000 3.304 2.715 4.008 0.008 8 0 "[ . 1 . 2]" 1
9 1 1 GLY HA3 1 31 GLN H 1.800 . 3.800 2.922 1.796 3.741 0.004 20 0 "[ . 1 . 2]" 1
10 1 2 PHE H 1 2 PHE HA 1.800 . 3.000 2.455 2.292 2.753 . 0 0 "[ . 1 . 2]" 1
11 1 2 PHE H 1 2 PHE HB2 1.800 . 4.000 2.892 2.244 3.267 . 0 0 "[ . 1 . 2]" 1
12 1 2 PHE H 1 2 PHE HB3 1.800 . 3.800 3.258 2.420 3.849 0.049 11 0 "[ . 1 . 2]" 1
13 1 2 PHE H 1 2 PHE QD 1.800 . 4.300 4.153 3.792 4.338 0.038 15 0 "[ . 1 . 2]" 1
14 1 2 PHE H 1 3 GLY H 1.800 . 3.800 3.320 2.789 3.837 0.037 15 0 "[ . 1 . 2]" 1
15 1 2 PHE H 1 30 LYS HA 1.800 . 3.800 2.102 1.773 2.806 0.027 18 0 "[ . 1 . 2]" 1
16 1 2 PHE HA 1 2 PHE HB3 1.800 . 3.000 3.003 2.917 3.024 0.024 3 0 "[ . 1 . 2]" 1
17 1 2 PHE HA 1 2 PHE QD 1.800 . 4.800 2.452 2.185 3.111 . 0 0 "[ . 1 . 2]" 1
18 1 2 PHE HA 1 2 PHE QE 1.800 . 5.800 4.414 4.139 4.832 . 0 0 "[ . 1 . 2]" 1
19 1 2 PHE HA 1 3 GLY H 1.800 . 4.000 3.522 3.455 3.574 . 0 0 "[ . 1 . 2]" 1
20 1 2 PHE HA 1 3 GLY HA2 1.800 . 5.800 4.567 4.504 4.683 . 0 0 "[ . 1 . 2]" 1
21 1 2 PHE HA 1 3 GLY HA3 1.800 . 5.000 5.045 4.890 5.186 0.186 17 0 "[ . 1 . 2]" 1
22 1 2 PHE HA 1 30 LYS HA 1.800 . 3.000 2.774 2.252 3.016 0.016 3 0 "[ . 1 . 2]" 1
23 1 2 PHE HA 1 30 LYS QB 1.800 . 4.300 3.246 2.565 4.128 . 0 0 "[ . 1 . 2]" 1
24 1 2 PHE HA 1 30 LYS QZ 1.800 . 3.800 5.538 3.524 7.298 3.498 6 17 "[****-+********.* **]" 1
25 1 2 PHE HB2 1 2 PHE QE 1.800 . 4.800 4.479 4.410 4.524 . 0 0 "[ . 1 . 2]" 1
26 1 2 PHE HB2 1 3 GLY H 1.800 . 4.000 3.705 2.973 4.043 0.043 17 0 "[ . 1 . 2]" 1
27 1 2 PHE HB3 1 2 PHE QE 1.800 . 4.800 4.445 4.413 4.543 . 0 0 "[ . 1 . 2]" 1
28 1 2 PHE HB3 1 3 GLY H 1.800 . 3.000 2.467 1.877 3.004 0.004 13 0 "[ . 1 . 2]" 1
29 1 2 PHE QD 1 3 GLY H 1.800 . 5.000 3.548 2.010 4.456 . 0 0 "[ . 1 . 2]" 1
30 1 2 PHE HD1 1 30 LYS QB 1.800 . 4.300 3.776 2.571 4.323 0.023 17 0 "[ . 1 . 2]" 1
31 1 2 PHE QE 1 10 LYS QE 1.800 . 3.800 3.167 2.327 3.653 . 0 0 "[ . 1 . 2]" 1
32 1 2 PHE QE 1 10 LYS QZ 1.800 . 4.000 3.883 2.486 4.922 0.922 20 6 "[ .* 1*- * *+]" 1
33 1 2 PHE HZ 1 10 LYS QE 1.800 . 4.800 2.891 2.212 4.495 . 0 0 "[ . 1 . 2]" 1
34 1 2 PHE HZ 1 10 LYS QZ 1.800 . 4.000 3.694 1.802 5.876 1.876 20 4 "[ .* * 1- . +]" 1
35 1 3 GLY H 1 3 GLY HA3 1.800 . 3.000 2.597 2.443 2.712 . 0 0 "[ . 1 . 2]" 1
36 1 3 GLY H 1 4 CYS H 1.800 . 4.000 4.001 3.872 4.106 0.106 7 0 "[ . 1 . 2]" 1
37 1 3 GLY HA2 1 4 CYS H 1.800 . 3.000 3.040 2.958 3.108 0.108 3 0 "[ . 1 . 2]" 1
38 1 3 GLY HA3 1 4 CYS H 1.800 . 2.800 2.193 2.126 2.240 . 0 0 "[ . 1 . 2]" 1
39 1 4 CYS H 1 8 GLN HA 1.800 . 3.500 2.668 2.169 3.384 . 0 0 "[ . 1 . 2]" 1
40 1 4 CYS H 1 11 CYS QB 1.800 . 4.300 3.652 2.648 4.374 0.074 16 0 "[ . 1 . 2]" 1
41 1 4 CYS HA 1 4 CYS QB 1.800 . 2.600 2.170 2.151 2.211 . 0 0 "[ . 1 . 2]" 1
42 1 4 CYS HA 1 5 PRO HA 1.800 . 2.800 2.195 2.119 2.406 . 0 0 "[ . 1 . 2]" 1
43 1 4 CYS HA 1 6 PHE H 1.800 . 3.800 2.842 2.061 3.798 . 0 0 "[ . 1 . 2]" 1
44 1 4 CYS HA 1 7 ASN H 1.800 . 3.800 3.388 2.491 3.818 0.018 10 0 "[ . 1 . 2]" 1
45 1 4 CYS HA 1 8 GLN H 1.800 . 3.800 3.174 2.834 3.597 . 0 0 "[ . 1 . 2]" 1
46 1 4 CYS HA 1 8 GLN HA 1.800 . 3.800 3.109 2.581 3.482 . 0 0 "[ . 1 . 2]" 1
47 1 4 CYS QB 1 5 PRO HA 1.800 . 3.800 2.284 2.005 2.938 . 0 0 "[ . 1 . 2]" 1
48 1 4 CYS QB 1 8 GLN H 1.800 . 4.500 4.165 3.608 4.489 . 0 0 "[ . 1 . 2]" 1
49 1 4 CYS QB 1 8 GLN QB 1.800 . 3.000 2.638 2.171 3.051 0.051 12 0 "[ . 1 . 2]" 1
50 1 4 CYS QB 1 25 CYS QB 1.800 . 3.000 2.491 1.888 3.043 0.043 4 0 "[ . 1 . 2]" 1
51 1 5 PRO HA 1 5 PRO QD 1.800 . 5.000 3.496 3.467 3.538 . 0 0 "[ . 1 . 2]" 1
52 1 5 PRO HA 1 6 PHE H 1.800 . 4.000 3.344 3.148 3.572 . 0 0 "[ . 1 . 2]" 1
53 1 5 PRO HB2 1 5 PRO QD 1.800 . 3.800 3.513 3.119 3.562 . 0 0 "[ . 1 . 2]" 1
54 1 5 PRO HB2 1 6 PHE H 1.800 . 5.000 3.800 3.120 4.199 . 0 0 "[ . 1 . 2]" 1
55 1 5 PRO HB3 1 6 PHE H 1.800 . 4.800 4.390 4.003 4.607 . 0 0 "[ . 1 . 2]" 1
56 1 5 PRO QD 1 5 PRO QG 1.800 . 3.000 1.965 1.959 1.978 . 0 0 "[ . 1 . 2]" 1
57 1 5 PRO QD 1 6 PHE H 1.800 . 3.000 2.472 1.918 2.936 . 0 0 "[ . 1 . 2]" 1
58 1 5 PRO QD 1 6 PHE HA 1.800 . 4.800 4.646 4.182 4.842 0.042 4 0 "[ . 1 . 2]" 1
59 1 5 PRO QD 1 6 PHE HD1 1.800 . 3.000 2.676 2.209 3.041 0.041 9 0 "[ . 1 . 2]" 1
60 1 5 PRO QD 1 6 PHE HE1 1.800 . 3.800 2.794 2.322 3.301 . 0 0 "[ . 1 . 2]" 1
61 1 5 PRO QD 1 6 PHE HZ 1.800 . 4.800 4.161 3.283 4.830 0.030 16 0 "[ . 1 . 2]" 1
62 1 6 PHE H 1 6 PHE HB2 1.800 . 4.000 2.593 2.372 2.885 . 0 0 "[ . 1 . 2]" 1
63 1 6 PHE H 1 6 PHE HB3 1.800 . 3.800 3.593 3.535 3.658 . 0 0 "[ . 1 . 2]" 1
64 1 6 PHE H 1 6 PHE QD 1.800 . 5.000 2.421 1.820 2.673 . 0 0 "[ . 1 . 2]" 1
65 1 6 PHE H 1 6 PHE QE 1.800 . 5.800 4.070 3.562 4.450 . 0 0 "[ . 1 . 2]" 1
66 1 6 PHE H 1 6 PHE HZ 1.800 . 6.000 5.439 4.812 5.974 . 0 0 "[ . 1 . 2]" 1
67 1 6 PHE H 1 7 ASN H 1.800 . 3.600 2.914 2.267 3.447 . 0 0 "[ . 1 . 2]" 1
68 1 6 PHE HA 1 7 ASN H 1.800 . 4.000 3.555 3.498 3.578 . 0 0 "[ . 1 . 2]" 1
69 1 6 PHE HB2 1 7 ASN H 1.800 . 3.000 2.026 1.771 2.598 0.029 10 0 "[ . 1 . 2]" 1
70 1 6 PHE HB2 1 7 ASN HA 1.800 . 5.000 4.393 4.002 4.714 . 0 0 "[ . 1 . 2]" 1
71 1 6 PHE HB2 1 7 ASN HB3 1.800 . 4.800 4.361 3.557 4.821 0.021 11 0 "[ . 1 . 2]" 1
72 1 6 PHE HB3 1 7 ASN H 1.800 . 3.800 3.146 2.452 3.801 0.001 16 0 "[ . 1 . 2]" 1
73 1 7 ASN HA 1 8 GLN H 1.800 . 2.800 2.589 2.375 2.842 0.042 15 0 "[ . 1 . 2]" 1
74 1 7 ASN HA 1 9 GLY H 1.800 . 3.800 3.378 3.145 3.739 . 0 0 "[ . 1 . 2]" 1
75 1 7 ASN HA 1 10 LYS H 1.800 . 4.000 3.860 3.502 4.013 0.013 17 0 "[ . 1 . 2]" 1
76 1 7 ASN HA 1 11 CYS H 1.800 . 5.800 5.632 5.239 5.838 0.038 5 0 "[ . 1 . 2]" 1
77 1 7 ASN QD 1 10 LYS HA 1.800 . 5.800 4.644 3.501 5.691 . 0 0 "[ . 1 . 2]" 1
78 1 7 ASN QD 1 10 LYS HB2 1.800 . 5.000 2.687 1.875 3.684 . 0 0 "[ . 1 . 2]" 1
79 1 7 ASN QD 1 10 LYS HB3 1.800 . 3.600 2.694 1.840 3.547 . 0 0 "[ . 1 . 2]" 1
80 1 7 ASN QD 1 10 LYS HD2 1.800 . 4.500 3.580 2.538 4.466 . 0 0 "[ . 1 . 2]" 1
81 1 7 ASN QD 1 10 LYS HD3 1.800 . 5.000 4.055 2.404 4.976 . 0 0 "[ . 1 . 2]" 1
82 1 7 ASN QD 1 10 LYS QG 1.800 . 6.000 3.366 2.310 4.152 . 0 0 "[ . 1 . 2]" 1
83 1 8 GLN H 1 9 GLY H 1.800 . 3.000 2.609 2.302 2.933 . 0 0 "[ . 1 . 2]" 1
84 1 8 GLN HA 1 9 GLY H 1.800 . 4.000 3.509 3.460 3.563 . 0 0 "[ . 1 . 2]" 1
85 1 8 GLN HA 1 10 LYS H 1.800 . 4.800 4.316 3.858 4.784 . 0 0 "[ . 1 . 2]" 1
86 1 8 GLN HA 1 11 CYS H 1.800 . 4.000 3.418 3.171 3.666 . 0 0 "[ . 1 . 2]" 1
87 1 8 GLN HA 1 12 HIS H 1.800 . 4.000 4.035 3.997 4.071 0.071 20 0 "[ . 1 . 2]" 1
88 1 8 GLN HB2 1 9 GLY H 1.800 . 4.000 3.906 3.692 4.021 0.021 8 0 "[ . 1 . 2]" 1
89 1 8 GLN HB3 1 9 GLY H 1.800 . 3.000 2.764 2.412 3.008 0.008 17 0 "[ . 1 . 2]" 1
90 1 8 GLN QG 1 9 GLY H 1.800 . 5.000 3.852 3.404 4.153 . 0 0 "[ . 1 . 2]" 1
91 1 8 GLN QG 1 12 HIS QB 1.800 . 4.800 2.173 1.905 2.817 . 0 0 "[ . 1 . 2]" 1
92 1 9 GLY H 1 9 GLY HA3 1.800 . 3.000 2.302 2.296 2.313 . 0 0 "[ . 1 . 2]" 1
93 1 9 GLY H 1 10 LYS H 1.800 . 3.000 2.802 2.656 2.995 . 0 0 "[ . 1 . 2]" 1
94 1 9 GLY HA2 1 10 LYS H 1.800 . 3.800 3.558 3.511 3.586 . 0 0 "[ . 1 . 2]" 1
95 1 9 GLY HA2 1 11 CYS H 1.800 . 5.800 3.891 3.709 4.219 . 0 0 "[ . 1 . 2]" 1
96 1 9 GLY HA2 1 12 HIS H 1.800 . 5.000 2.861 2.758 3.111 . 0 0 "[ . 1 . 2]" 1
97 1 9 GLY HA2 1 13 ARG H 1.800 . 5.000 2.865 2.670 3.012 . 0 0 "[ . 1 . 2]" 1
98 1 9 GLY HA3 1 10 LYS H 1.800 . 3.800 2.784 2.546 2.927 . 0 0 "[ . 1 . 2]" 1
99 1 9 GLY HA3 1 11 CYS H 1.800 . 5.800 4.320 4.075 4.595 . 0 0 "[ . 1 . 2]" 1
100 1 9 GLY HA3 1 12 HIS H 1.800 . 4.000 4.059 4.000 4.160 0.160 15 0 "[ . 1 . 2]" 1
101 1 9 GLY HA3 1 13 ARG H 1.800 . 4.000 3.944 3.668 4.047 0.047 17 0 "[ . 1 . 2]" 1
102 1 10 LYS H 1 10 LYS HB2 1.800 . 3.000 2.381 2.182 2.530 . 0 0 "[ . 1 . 2]" 1
103 1 10 LYS H 1 10 LYS HB3 1.800 . 3.000 2.724 2.536 3.008 0.008 12 0 "[ . 1 . 2]" 1
104 1 10 LYS H 1 10 LYS HG2 1.800 . 4.800 4.399 4.018 4.672 . 0 0 "[ . 1 . 2]" 1
105 1 10 LYS H 1 10 LYS HG3 1.800 . 4.800 4.492 4.414 4.582 . 0 0 "[ . 1 . 2]" 1
106 1 10 LYS H 1 11 CYS H 1.800 . 3.000 2.672 2.510 2.824 . 0 0 "[ . 1 . 2]" 1
107 1 10 LYS HA 1 11 CYS H 1.800 . 4.000 3.473 3.435 3.520 . 0 0 "[ . 1 . 2]" 1
108 1 10 LYS HA 1 12 HIS H 1.800 . 4.800 4.376 4.012 4.573 . 0 0 "[ . 1 . 2]" 1
109 1 10 LYS HA 1 13 ARG H 1.800 . 4.000 4.038 3.977 4.076 0.076 6 0 "[ . 1 . 2]" 1
110 1 10 LYS HA 1 14 HIS H 1.800 . 4.000 3.978 3.623 4.064 0.064 17 0 "[ . 1 . 2]" 1
111 1 10 LYS HB2 1 11 CYS H 1.800 . 4.000 3.920 3.723 4.058 0.058 10 0 "[ . 1 . 2]" 1
112 1 10 LYS HB3 1 10 LYS HG2 1.800 . 3.000 2.757 2.328 3.027 0.027 12 0 "[ . 1 . 2]" 1
113 1 10 LYS HB3 1 10 LYS HG3 1.800 . 2.600 2.642 2.514 2.720 0.120 11 0 "[ . 1 . 2]" 1
114 1 10 LYS HB3 1 11 CYS H 1.800 . 3.000 2.913 2.741 3.015 0.015 5 0 "[ . 1 . 2]" 1
115 1 11 CYS H 1 11 CYS HA 1.800 . 3.000 2.948 2.914 2.959 . 0 0 "[ . 1 . 2]" 1
116 1 11 CYS H 1 11 CYS QB 1.800 . 3.000 2.363 2.149 2.564 . 0 0 "[ . 1 . 2]" 1
117 1 11 CYS H 1 12 HIS H 1.800 . 3.000 2.043 1.955 2.308 . 0 0 "[ . 1 . 2]" 1
118 1 11 CYS HA 1 12 HIS H 1.800 . 4.000 3.440 3.349 3.528 . 0 0 "[ . 1 . 2]" 1
119 1 11 CYS HA 1 13 ARG H 1.800 . 5.000 4.383 3.874 5.015 0.015 15 0 "[ . 1 . 2]" 1
120 1 11 CYS HA 1 14 HIS H 1.800 . 4.000 3.751 3.482 4.019 0.019 19 0 "[ . 1 . 2]" 1
121 1 11 CYS HA 1 15 CYS H 1.800 . 4.000 4.012 3.884 4.088 0.088 12 0 "[ . 1 . 2]" 1
122 1 11 CYS QB 1 33 CYS QB 1.800 . 3.000 2.594 2.054 3.109 0.109 15 0 "[ . 1 . 2]" 1
123 1 12 HIS H 1 12 HIS HA 1.800 . 3.000 2.931 2.885 2.951 . 0 0 "[ . 1 . 2]" 1
124 1 12 HIS H 1 12 HIS QB 1.800 . 3.500 2.294 2.107 2.387 . 0 0 "[ . 1 . 2]" 1
125 1 12 HIS H 1 13 ARG H 1.800 . 3.000 2.260 2.083 2.618 . 0 0 "[ . 1 . 2]" 1
126 1 12 HIS HA 1 13 ARG H 1.800 . 4.000 3.473 3.335 3.582 . 0 0 "[ . 1 . 2]" 1
127 1 12 HIS HA 1 14 HIS H 1.800 . 4.800 4.454 3.999 4.755 . 0 0 "[ . 1 . 2]" 1
128 1 12 HIS HA 1 15 CYS H 1.800 . 4.000 3.968 3.555 4.065 0.065 9 0 "[ . 1 . 2]" 1
129 1 12 HIS HA 1 16 ARG H 1.800 . 4.800 3.798 3.337 4.769 . 0 0 "[ . 1 . 2]" 1
130 1 13 ARG H 1 13 ARG HA 1.800 . 3.000 2.894 2.798 2.954 . 0 0 "[ . 1 . 2]" 1
131 1 13 ARG H 1 13 ARG QB 1.800 . 3.000 2.422 2.250 2.533 . 0 0 "[ . 1 . 2]" 1
132 1 13 ARG H 1 13 ARG HG2 1.800 . 3.600 2.830 2.375 3.540 . 0 0 "[ . 1 . 2]" 1
133 1 13 ARG H 1 13 ARG HG3 1.800 . 3.800 3.196 1.936 3.892 0.092 11 0 "[ . 1 . 2]" 1
134 1 13 ARG H 1 14 HIS H 1.800 . 4.800 2.349 1.975 2.762 . 0 0 "[ . 1 . 2]" 1
135 1 13 ARG HA 1 13 ARG HG2 1.800 . 4.000 3.012 2.197 3.711 . 0 0 "[ . 1 . 2]" 1
136 1 13 ARG HA 1 13 ARG HG3 1.800 . 4.000 3.463 2.927 3.757 . 0 0 "[ . 1 . 2]" 1
137 1 13 ARG HA 1 14 HIS H 1.800 . 4.000 3.518 3.455 3.570 . 0 0 "[ . 1 . 2]" 1
138 1 13 ARG HA 1 15 CYS H 1.800 . 5.000 4.737 4.422 5.039 0.039 14 0 "[ . 1 . 2]" 1
139 1 13 ARG HA 1 16 ARG H 1.800 . 4.000 3.630 3.263 3.904 . 0 0 "[ . 1 . 2]" 1
140 1 13 ARG HA 1 17 SER H 1.800 . 4.800 4.228 3.708 4.663 . 0 0 "[ . 1 . 2]" 1
141 1 13 ARG QB 1 13 ARG HG3 1.800 . 2.800 2.290 2.169 2.423 . 0 0 "[ . 1 . 2]" 1
142 1 13 ARG QB 1 14 HIS H 1.800 . 3.800 3.011 2.460 3.524 . 0 0 "[ . 1 . 2]" 1
143 1 14 HIS H 1 14 HIS HB2 1.800 . 3.000 2.514 2.122 2.908 . 0 0 "[ . 1 . 2]" 1
144 1 14 HIS H 1 14 HIS HB3 1.800 . 3.000 2.593 2.232 3.021 0.021 11 0 "[ . 1 . 2]" 1
145 1 14 HIS HA 1 14 HIS HB3 1.800 . 3.000 3.003 2.955 3.027 0.027 13 0 "[ . 1 . 2]" 1
146 1 14 HIS HA 1 15 CYS H 1.800 . 4.000 3.575 3.531 3.596 . 0 0 "[ . 1 . 2]" 1
147 1 14 HIS HA 1 16 ARG H 1.800 . 4.800 4.697 3.822 4.829 0.029 9 0 "[ . 1 . 2]" 1
148 1 14 HIS HA 1 17 SER H 1.800 . 4.000 3.953 3.625 4.054 0.054 2 0 "[ . 1 . 2]" 1
149 1 14 HIS HA 1 17 SER QB 1.800 . 5.000 3.374 2.576 3.855 . 0 0 "[ . 1 . 2]" 1
150 1 14 HIS HA 1 18 ILE H 1.800 . 5.300 5.292 4.800 5.394 0.094 15 0 "[ . 1 . 2]" 1
151 1 14 HIS HB2 1 15 CYS H 1.800 . 4.800 3.678 3.282 4.015 . 0 0 "[ . 1 . 2]" 1
152 1 14 HIS HB3 1 15 CYS H 1.800 . 3.800 2.399 2.145 2.694 . 0 0 "[ . 1 . 2]" 1
153 1 15 CYS H 1 15 CYS HA 1.800 . 3.000 2.858 2.779 2.901 . 0 0 "[ . 1 . 2]" 1
154 1 15 CYS H 1 15 CYS HB2 1.800 . 3.000 2.301 2.147 3.146 0.146 14 0 "[ . 1 . 2]" 1
155 1 15 CYS H 1 15 CYS HB3 1.800 . 3.000 2.914 2.028 3.071 0.071 12 0 "[ . 1 . 2]" 1
156 1 15 CYS H 1 16 ARG H 1.800 . 3.000 2.589 2.406 2.914 . 0 0 "[ . 1 . 2]" 1
157 1 15 CYS HA 1 16 ARG H 1.800 . 4.000 3.542 3.331 3.578 . 0 0 "[ . 1 . 2]" 1
158 1 15 CYS HA 1 17 SER H 1.800 . 4.300 3.889 3.463 4.211 . 0 0 "[ . 1 . 2]" 1
159 1 15 CYS HA 1 18 ILE H 1.800 . 3.800 3.088 2.865 3.409 . 0 0 "[ . 1 . 2]" 1
160 1 15 CYS HA 1 18 ILE MD 1.800 . 3.000 3.263 2.129 4.554 1.554 14 10 "[** ** 1 *+-*** 2]" 1
161 1 15 CYS HA 1 18 ILE QG 1.800 . 3.000 2.339 2.032 3.013 0.013 9 0 "[ . 1 . 2]" 1
162 1 15 CYS HA 1 20 ARG H 1.800 . 6.000 4.792 4.488 5.107 . 0 0 "[ . 1 . 2]" 1
163 1 15 CYS HA 1 20 ARG HB2 1.800 . 5.800 3.499 3.375 3.640 . 0 0 "[ . 1 . 2]" 1
164 1 15 CYS HA 1 20 ARG HB3 1.800 . 4.500 4.498 3.744 4.586 0.086 14 0 "[ . 1 . 2]" 1
165 1 15 CYS HA 1 20 ARG QD 1.800 . 5.800 4.032 2.747 5.105 . 0 0 "[ . 1 . 2]" 1
166 1 15 CYS QB 1 16 ARG H 1.800 . 4.000 2.652 2.447 3.276 . 0 0 "[ . 1 . 2]" 1
167 1 15 CYS HB2 1 35 CYS HB2 1.800 . 4.000 3.799 2.143 4.069 0.069 9 0 "[ . 1 . 2]" 1
168 1 15 CYS HB2 1 35 CYS HB3 1.800 . 4.800 2.705 2.186 2.988 . 0 0 "[ . 1 . 2]" 1
169 1 15 CYS HB3 1 35 CYS HB2 1.800 . 3.800 3.315 2.427 3.775 . 0 0 "[ . 1 . 2]" 1
170 1 15 CYS HB3 1 35 CYS HB3 1.800 . 3.800 2.647 2.192 3.695 . 0 0 "[ . 1 . 2]" 1
171 1 16 ARG H 1 16 ARG HB2 1.800 . 2.800 2.599 2.395 2.779 . 0 0 "[ . 1 . 2]" 1
172 1 16 ARG H 1 16 ARG HB3 1.800 . 2.800 2.534 2.348 2.715 . 0 0 "[ . 1 . 2]" 1
173 1 16 ARG H 1 17 SER H 1.800 . 3.800 2.817 2.409 3.039 . 0 0 "[ . 1 . 2]" 1
174 1 16 ARG HA 1 16 ARG QG 1.800 . 3.800 2.415 2.283 2.579 . 0 0 "[ . 1 . 2]" 1
175 1 16 ARG HA 1 17 SER H 1.800 . 4.000 3.509 3.410 3.558 . 0 0 "[ . 1 . 2]" 1
176 1 16 ARG HA 1 18 ILE H 1.800 . 4.800 4.189 3.715 4.520 . 0 0 "[ . 1 . 2]" 1
177 1 16 ARG HA 1 20 ARG H 1.800 . 4.800 3.544 2.559 4.803 0.003 7 0 "[ . 1 . 2]" 1
178 1 16 ARG HA 1 20 ARG HB2 1.800 . 4.800 3.504 3.085 4.463 . 0 0 "[ . 1 . 2]" 1
179 1 16 ARG HA 1 20 ARG HB3 1.800 . 3.800 3.471 2.959 3.855 0.055 9 0 "[ . 1 . 2]" 1
180 1 16 ARG QB 1 16 ARG QD 1.800 . 3.800 2.179 2.053 2.445 . 0 0 "[ . 1 . 2]" 1
181 1 16 ARG QB 1 17 SER H 1.800 . 4.300 2.737 2.476 3.122 . 0 0 "[ . 1 . 2]" 1
182 1 17 SER H 1 17 SER HB2 1.800 . 4.000 2.841 2.071 3.584 . 0 0 "[ . 1 . 2]" 1
183 1 17 SER H 1 17 SER HB3 1.800 . 4.000 2.682 2.065 3.585 . 0 0 "[ . 1 . 2]" 1
184 1 17 SER H 1 18 ILE H 1.800 . 3.000 2.577 2.307 2.798 . 0 0 "[ . 1 . 2]" 1
185 1 17 SER HA 1 18 ILE H 1.800 . 4.000 3.510 3.353 3.554 . 0 0 "[ . 1 . 2]" 1
186 1 17 SER HA 1 19 ARG H 1.800 . 4.000 3.456 3.267 3.786 . 0 0 "[ . 1 . 2]" 1
187 1 17 SER HB2 1 18 ILE H 1.800 . 4.800 3.678 2.683 4.498 . 0 0 "[ . 1 . 2]" 1
188 1 17 SER HB3 1 18 ILE H 1.800 . 3.800 3.279 2.637 3.803 0.003 2 0 "[ . 1 . 2]" 1
189 1 18 ILE H 1 19 ARG H 1.800 . 3.300 3.067 2.605 3.350 0.050 5 0 "[ . 1 . 2]" 1
190 1 18 ILE HA 1 18 ILE MD 1.800 . 5.000 2.988 1.988 4.108 . 0 0 "[ . 1 . 2]" 1
191 1 18 ILE HA 1 18 ILE QG 1.800 . 4.000 2.832 2.404 3.260 . 0 0 "[ . 1 . 2]" 1
192 1 18 ILE HA 1 18 ILE MG 1.800 . 4.800 2.196 2.127 2.304 . 0 0 "[ . 1 . 2]" 1
193 1 18 ILE HA 1 19 ARG H 1.800 . 3.300 2.903 2.671 3.192 . 0 0 "[ . 1 . 2]" 1
194 1 18 ILE HA 1 20 ARG H 1.800 . 4.800 4.217 3.907 4.619 . 0 0 "[ . 1 . 2]" 1
195 1 18 ILE HB 1 18 ILE MD 1.800 . 4.800 2.760 2.181 3.202 . 0 0 "[ . 1 . 2]" 1
196 1 18 ILE HB 1 19 ARG H 1.800 . 4.800 4.092 3.731 4.368 . 0 0 "[ . 1 . 2]" 1
197 1 18 ILE HB 1 20 ARG H 1.800 . 4.800 3.156 2.777 3.780 . 0 0 "[ . 1 . 2]" 1
198 1 18 ILE HB 1 20 ARG QD 1.800 . 4.800 2.442 2.130 4.270 . 0 0 "[ . 1 . 2]" 1
199 1 18 ILE HB 1 20 ARG QH 1.800 . 6.000 3.392 2.401 5.468 . 0 0 "[ . 1 . 2]" 1
200 1 18 ILE MD 1 18 ILE QG 1.800 . 3.800 1.898 1.879 1.916 . 0 0 "[ . 1 . 2]" 1
201 1 18 ILE MD 1 18 ILE MG 1.800 . 3.000 1.892 1.660 2.141 0.140 15 0 "[ . 1 . 2]" 1
202 1 18 ILE MD 1 20 ARG QD 1.800 . 4.800 4.017 2.879 5.038 0.238 16 0 "[ . 1 . 2]" 1
203 1 18 ILE MD 1 20 ARG QH 1.800 . 6.000 4.326 2.298 5.378 . 0 0 "[ . 1 . 2]" 1
204 1 18 ILE QG 1 18 ILE MG 1.800 . 3.800 2.277 2.113 2.395 . 0 0 "[ . 1 . 2]" 1
205 1 18 ILE QG 1 20 ARG QD 1.800 . 4.000 3.932 3.694 4.041 0.041 15 0 "[ . 1 . 2]" 1
206 1 18 ILE QG 1 20 ARG QH 1.800 . 6.000 4.646 3.573 5.410 . 0 0 "[ . 1 . 2]" 1
207 1 19 ARG H 1 19 ARG HA 1.800 . 3.000 2.303 2.285 2.334 . 0 0 "[ . 1 . 2]" 1
208 1 19 ARG H 1 19 ARG HB3 1.800 . 4.000 3.799 2.973 4.073 0.073 19 0 "[ . 1 . 2]" 1
209 1 19 ARG H 1 19 ARG QD 1.800 . 6.000 4.603 2.216 5.293 . 0 0 "[ . 1 . 2]" 1
210 1 19 ARG H 1 19 ARG QG 1.800 . 3.800 3.146 2.531 3.837 0.037 20 0 "[ . 1 . 2]" 1
211 1 19 ARG H 1 20 ARG H 1.800 . 3.800 2.836 2.397 3.579 . 0 0 "[ . 1 . 2]" 1
212 1 19 ARG HA 1 19 ARG QD 1.800 . 5.000 3.735 2.400 4.613 . 0 0 "[ . 1 . 2]" 1
213 1 19 ARG HA 1 19 ARG QG 1.800 . 3.800 2.590 2.098 3.310 . 0 0 "[ . 1 . 2]" 1
214 1 19 ARG HA 1 20 ARG H 1.800 . 3.800 3.273 3.010 3.572 . 0 0 "[ . 1 . 2]" 1
215 1 19 ARG QB 1 20 ARG H 1.800 . 4.000 3.378 2.291 4.015 0.015 6 0 "[ . 1 . 2]" 1
216 1 19 ARG QB 1 20 ARG HA 1.800 . 4.800 4.178 3.631 4.830 0.030 20 0 "[ . 1 . 2]" 1
217 1 19 ARG QB 1 20 ARG QD 1.800 . 4.800 4.011 3.223 4.726 . 0 0 "[ . 1 . 2]" 1
218 1 19 ARG QB 1 20 ARG QH 1.800 . 6.000 3.735 2.523 5.029 . 0 0 "[ . 1 . 2]" 1
219 1 19 ARG QD 1 20 ARG QH 1.800 . 6.000 4.389 2.759 5.562 . 0 0 "[ . 1 . 2]" 1
220 1 20 ARG H 1 20 ARG HB2 1.800 . 4.000 2.152 2.067 2.338 . 0 0 "[ . 1 . 2]" 1
221 1 20 ARG H 1 20 ARG HB3 1.800 . 3.500 3.367 3.209 3.569 0.069 14 0 "[ . 1 . 2]" 1
222 1 20 ARG H 1 20 ARG QD 1.800 . 3.000 2.747 2.234 3.074 0.074 19 0 "[ . 1 . 2]" 1
223 1 20 ARG H 1 20 ARG HG2 1.800 . 4.500 4.358 4.035 4.549 0.049 18 0 "[ . 1 . 2]" 1
224 1 20 ARG H 1 20 ARG HG3 1.800 . 4.500 3.975 2.698 4.408 . 0 0 "[ . 1 . 2]" 1
225 1 20 ARG HA 1 20 ARG HB3 1.800 . 3.000 2.791 2.654 2.867 . 0 0 "[ . 1 . 2]" 1
226 1 20 ARG HA 1 20 ARG QD 1.800 . 4.500 2.694 2.304 3.830 . 0 0 "[ . 1 . 2]" 1
227 1 20 ARG HA 1 20 ARG HG3 1.800 . 3.600 2.187 2.077 2.354 . 0 0 "[ . 1 . 2]" 1
228 1 20 ARG HA 1 21 ARG H 1.800 . 3.000 2.417 2.225 2.722 . 0 0 "[ . 1 . 2]" 1
229 1 20 ARG HA 1 37 ARG H 1.800 . 5.500 5.126 4.348 5.510 0.010 20 0 "[ . 1 . 2]" 1
230 1 20 ARG HA 1 37 ARG QB 1.800 . 5.500 3.602 2.558 4.216 . 0 0 "[ . 1 . 2]" 1
231 1 20 ARG HA 1 37 ARG QD 1.800 . 5.500 2.903 2.143 3.997 . 0 0 "[ . 1 . 2]" 1
232 1 20 ARG HB2 1 21 ARG H 1.800 . 4.500 3.999 3.412 4.298 . 0 0 "[ . 1 . 2]" 1
233 1 20 ARG HB2 1 35 CYS QB 1.800 . 4.300 3.948 3.618 4.230 . 0 0 "[ . 1 . 2]" 1
234 1 20 ARG HB3 1 21 ARG H 1.800 . 3.300 2.709 1.854 3.207 . 0 0 "[ . 1 . 2]" 1
235 1 20 ARG HB3 1 35 CYS QB 1.800 . 5.000 3.084 2.644 3.975 . 0 0 "[ . 1 . 2]" 1
236 1 20 ARG HE 1 35 CYS QB 1.800 . 4.800 4.079 2.458 4.813 0.013 17 0 "[ . 1 . 2]" 1
237 1 20 ARG HG2 1 35 CYS QB 1.800 . 5.300 2.474 2.159 3.773 . 0 0 "[ . 1 . 2]" 1
238 1 20 ARG HG2 1 37 ARG H 1.800 . 4.000 3.889 3.613 4.026 0.026 13 0 "[ . 1 . 2]" 1
239 1 20 ARG HG2 1 37 ARG QB 1.800 . 4.300 3.033 2.182 4.332 0.032 19 0 "[ . 1 . 2]" 1
240 1 20 ARG HG3 1 35 CYS QB 1.800 . 4.800 3.512 2.810 4.856 0.056 14 0 "[ . 1 . 2]" 1
241 1 21 ARG H 1 21 ARG HB2 1.800 . 3.000 2.674 2.203 3.033 0.033 7 0 "[ . 1 . 2]" 1
242 1 21 ARG H 1 21 ARG HB3 1.800 . 3.800 3.591 2.622 3.860 0.060 19 0 "[ . 1 . 2]" 1
243 1 21 ARG H 1 21 ARG QD 1.800 . 6.000 4.421 2.639 5.163 . 0 0 "[ . 1 . 2]" 1
244 1 21 ARG H 1 21 ARG QG 1.800 . 4.000 3.544 2.935 4.053 0.053 18 0 "[ . 1 . 2]" 1
245 1 21 ARG H 1 22 GLY H 1.800 . 3.000 2.959 2.481 3.048 0.048 1 0 "[ . 1 . 2]" 1
246 1 21 ARG H 1 36 TYR HB2 4.000 4.000 6.000 5.625 4.594 6.000 . 0 0 "[ . 1 . 2]" 1
247 1 21 ARG H 1 36 TYR HB3 4.000 4.000 6.000 4.512 3.965 4.995 0.035 14 0 "[ . 1 . 2]" 1
248 1 21 ARG H 1 37 ARG H 3.600 3.600 5.600 4.364 3.670 5.258 . 0 0 "[ . 1 . 2]" 1
249 1 21 ARG H 1 37 ARG QB 3.600 3.600 6.000 4.109 3.572 4.626 0.028 19 0 "[ . 1 . 2]" 1
250 1 21 ARG H 1 37 ARG QD 1.800 . 5.500 2.632 1.988 5.368 . 0 0 "[ . 1 . 2]" 1
251 1 21 ARG H 1 37 ARG HG2 3.600 3.600 5.000 4.948 4.563 5.051 0.051 3 0 "[ . 1 . 2]" 1
252 1 21 ARG H 1 37 ARG HG3 3.600 3.600 6.000 5.213 3.572 5.750 0.028 19 0 "[ . 1 . 2]" 1
253 1 21 ARG HA 1 21 ARG HG2 1.800 . 3.500 2.527 2.161 3.506 0.006 14 0 "[ . 1 . 2]" 1
254 1 21 ARG HA 1 21 ARG HG3 1.800 . 2.800 2.597 2.279 2.953 0.153 19 0 "[ . 1 . 2]" 1
255 1 21 ARG HA 1 22 GLY H 1.800 . 3.800 3.050 2.365 3.576 . 0 0 "[ . 1 . 2]" 1
256 1 21 ARG HB2 1 36 TYR HB2 4.000 4.000 8.000 6.657 5.585 7.715 . 0 0 "[ . 1 . 2]" 1
257 1 21 ARG HB2 1 36 TYR HB3 4.000 4.000 8.000 5.714 4.927 6.408 . 0 0 "[ . 1 . 2]" 1
258 1 21 ARG HB2 1 36 TYR HD1 5.000 5.000 10.000 6.301 5.118 7.461 . 0 0 "[ . 1 . 2]" 1
259 1 21 ARG HB2 1 36 TYR HD2 5.000 5.000 10.000 8.709 6.954 9.999 . 0 0 "[ . 1 . 2]" 1
260 1 21 ARG HB2 1 37 ARG QD 3.600 3.600 6.000 3.752 3.554 6.044 0.046 12 0 "[ . 1 . 2]" 1
261 1 21 ARG HB2 1 37 ARG HE 3.600 3.600 5.600 4.603 3.672 5.606 0.006 3 0 "[ . 1 . 2]" 1
262 1 21 ARG HB2 1 37 ARG HG2 4.000 4.000 6.000 5.850 5.608 6.019 0.019 18 0 "[ . 1 . 2]" 1
263 1 21 ARG HB2 1 37 ARG HG3 5.000 5.000 7.000 6.235 4.973 6.797 0.027 19 0 "[ . 1 . 2]" 1
264 1 21 ARG HB2 1 37 ARG QH 1.800 . 5.800 2.975 1.843 5.291 . 0 0 "[ . 1 . 2]" 1
265 1 21 ARG HB3 1 36 TYR HB2 4.000 4.000 8.000 6.733 4.704 7.823 . 0 0 "[ . 1 . 2]" 1
266 1 21 ARG HB3 1 36 TYR HB3 4.000 4.000 8.000 6.148 4.302 6.878 . 0 0 "[ . 1 . 2]" 1
267 1 21 ARG HB3 1 36 TYR HD1 5.000 5.000 10.000 6.936 5.146 8.377 . 0 0 "[ . 1 . 2]" 1
268 1 21 ARG HB3 1 36 TYR HD2 5.000 5.000 10.000 8.786 7.065 10.039 0.039 19 0 "[ . 1 . 2]" 1
269 1 21 ARG QD 1 36 TYR HD1 6.000 6.000 12.000 7.195 5.986 8.839 0.014 17 0 "[ . 1 . 2]" 1
270 1 21 ARG QD 1 36 TYR HD2 6.000 6.000 12.000 9.498 7.130 10.848 . 0 0 "[ . 1 . 2]" 1
271 1 21 ARG QD 1 37 ARG QH 1.800 . 4.500 3.252 2.049 4.361 . 0 0 "[ . 1 . 2]" 1
272 1 21 ARG HE 1 37 ARG QH 1.800 . 6.000 4.794 2.888 6.011 0.011 15 0 "[ . 1 . 2]" 1
273 1 21 ARG QG 1 36 TYR HB3 6.000 6.000 12.000 6.878 5.974 7.427 0.026 17 0 "[ . 1 . 2]" 1
274 1 21 ARG QG 1 36 TYR HD2 6.000 6.000 12.000 9.510 7.855 10.371 . 0 0 "[ . 1 . 2]" 1
275 1 21 ARG QG 1 37 ARG QD 1.800 . 5.000 4.810 4.205 5.119 0.119 19 0 "[ . 1 . 2]" 1
276 1 21 ARG QG 1 37 ARG QH 1.800 . 6.000 4.073 3.221 4.998 . 0 0 "[ . 1 . 2]" 1
277 1 21 ARG QH 1 36 TYR HD1 7.000 7.000 15.000 8.142 7.204 9.148 . 0 0 "[ . 1 . 2]" 1
278 1 21 ARG QH 1 36 TYR HD2 7.000 7.000 15.000 10.163 8.872 11.778 . 0 0 "[ . 1 . 2]" 1
279 1 21 ARG QH 1 36 TYR HE1 8.000 8.000 16.000 9.046 8.036 10.342 . 0 0 "[ . 1 . 2]" 1
280 1 21 ARG QH 1 36 TYR HE2 8.000 8.000 16.000 10.892 9.487 12.715 . 0 0 "[ . 1 . 2]" 1
281 1 21 ARG QH 1 37 ARG QH 1.800 . 6.000 4.058 2.539 5.110 . 0 0 "[ . 1 . 2]" 1
282 1 22 GLY H 1 23 GLY H 1.800 . 4.800 4.416 4.168 4.659 . 0 0 "[ . 1 . 2]" 1
283 1 22 GLY HA2 1 23 GLY H 1.800 . 3.800 2.458 2.277 2.886 . 0 0 "[ . 1 . 2]" 1
284 1 22 GLY HA3 1 23 GLY H 1.800 . 3.000 2.720 2.278 2.947 . 0 0 "[ . 1 . 2]" 1
285 1 23 GLY H 1 24 TYR H 1.800 . 4.800 4.369 4.337 4.393 . 0 0 "[ . 1 . 2]" 1
286 1 23 GLY HA2 1 24 TYR H 1.800 . 2.600 2.557 2.458 2.683 0.083 17 0 "[ . 1 . 2]" 1
287 1 23 GLY HA2 1 35 CYS HA 1.800 . 3.500 2.291 2.158 3.541 0.041 17 0 "[ . 1 . 2]" 1
288 1 23 GLY HA2 1 36 TYR H 1.800 . 3.800 1.909 1.749 2.552 0.051 5 0 "[ . 1 . 2]" 1
289 1 23 GLY HA3 1 24 TYR H 1.800 . 2.600 2.585 2.385 2.639 0.039 15 0 "[ . 1 . 2]" 1
290 1 23 GLY HA3 1 35 CYS HA 1.800 . 3.000 2.167 2.108 2.203 . 0 0 "[ . 1 . 2]" 1
291 1 23 GLY HA3 1 36 TYR H 1.800 . 3.000 2.920 1.845 3.080 0.080 5 0 "[ . 1 . 2]" 1
292 1 24 TYR H 1 24 TYR HB2 1.800 . 3.800 3.129 2.430 3.765 . 0 0 "[ . 1 . 2]" 1
293 1 24 TYR H 1 24 TYR HB3 1.800 . 4.000 3.509 2.866 3.997 . 0 0 "[ . 1 . 2]" 1
294 1 24 TYR H 1 25 CYS H 1.800 . 4.800 3.993 2.225 4.475 . 0 0 "[ . 1 . 2]" 1
295 1 24 TYR H 1 34 VAL H 1.800 . 3.800 3.801 3.647 3.869 0.069 5 0 "[ . 1 . 2]" 1
296 1 24 TYR H 1 35 CYS HA 1.800 . 4.000 3.028 2.241 4.065 0.065 17 0 "[ . 1 . 2]" 1
297 1 24 TYR HA 1 25 CYS H 1.800 . 2.600 2.366 2.144 2.658 0.058 7 0 "[ . 1 . 2]" 1
298 1 24 TYR HB2 1 25 CYS H 1.800 . 5.000 4.036 2.926 4.660 . 0 0 "[ . 1 . 2]" 1
299 1 24 TYR HB3 1 25 CYS H 1.800 . 5.000 3.350 2.088 4.303 . 0 0 "[ . 1 . 2]" 1
300 1 25 CYS H 1 25 CYS HB2 1.800 . 4.000 2.960 2.113 4.018 0.018 7 0 "[ . 1 . 2]" 1
301 1 25 CYS H 1 25 CYS HB3 1.800 . 4.000 3.311 2.180 3.986 . 0 0 "[ . 1 . 2]" 1
302 1 25 CYS H 1 26 ASP H 1.800 . 4.800 4.534 4.128 4.647 . 0 0 "[ . 1 . 2]" 1
303 1 25 CYS HA 1 26 ASP H 1.800 . 2.600 2.293 2.150 2.555 . 0 0 "[ . 1 . 2]" 1
304 1 25 CYS HA 1 33 CYS HA 1.800 . 3.000 2.658 2.192 3.109 0.109 18 0 "[ . 1 . 2]" 1
305 1 25 CYS HA 1 34 VAL H 1.800 . 4.000 3.619 3.034 3.982 . 0 0 "[ . 1 . 2]" 1
306 1 25 CYS HB2 1 26 ASP H 1.800 . 5.000 3.558 2.284 4.322 . 0 0 "[ . 1 . 2]" 1
307 1 25 CYS HB3 1 26 ASP H 1.800 . 5.000 3.279 2.278 4.324 . 0 0 "[ . 1 . 2]" 1
308 1 26 ASP H 1 26 ASP QB 1.800 . 3.800 2.572 2.088 3.052 . 0 0 "[ . 1 . 2]" 1
309 1 26 ASP H 1 32 ARG H 1.800 . 4.000 3.999 3.681 4.159 0.159 20 0 "[ . 1 . 2]" 1
310 1 26 ASP H 1 33 CYS HA 1.800 . 3.500 3.077 2.426 3.506 0.006 3 0 "[ . 1 . 2]" 1
311 1 26 ASP HA 1 27 GLY H 1.800 . 3.000 2.326 2.147 3.012 0.012 3 0 "[ . 1 . 2]" 1
312 1 27 GLY HA2 1 28 PHE H 1.800 . 3.000 2.626 2.224 3.020 0.020 5 0 "[ . 1 . 2]" 1
313 1 27 GLY HA2 1 29 LEU H 1.800 . 5.000 4.305 3.129 4.916 . 0 0 "[ . 1 . 2]" 1
314 1 27 GLY HA3 1 28 PHE H 1.800 . 3.000 2.569 2.224 3.013 0.013 7 0 "[ . 1 . 2]" 1
315 1 27 GLY HA3 1 29 LEU H 1.800 . 4.000 3.788 3.366 4.007 0.007 5 0 "[ . 1 . 2]" 1
316 1 28 PHE H 1 28 PHE QB 1.800 . 3.800 2.543 2.199 3.033 . 0 0 "[ . 1 . 2]" 1
317 1 28 PHE H 1 29 LEU H 1.800 . 3.000 2.179 1.783 2.991 0.017 6 0 "[ . 1 . 2]" 1
318 1 28 PHE HA 1 29 LEU H 1.800 . 4.000 3.512 3.439 3.558 . 0 0 "[ . 1 . 2]" 1
319 1 28 PHE HB2 1 29 LEU H 1.800 . 4.000 3.847 3.631 4.004 0.004 3 0 "[ . 1 . 2]" 1
320 1 28 PHE HB3 1 29 LEU H 1.800 . 3.800 2.770 2.508 3.065 . 0 0 "[ . 1 . 2]" 1
321 1 28 PHE HB3 1 29 LEU HG 1.800 . 3.800 3.176 2.338 3.771 . 0 0 "[ . 1 . 2]" 1
322 1 28 PHE HD1 1 29 LEU HA 1.800 . 3.800 3.488 2.643 3.802 0.002 6 0 "[ . 1 . 2]" 1
323 1 28 PHE HD1 1 29 LEU HG 1.800 . 3.000 2.591 2.186 3.012 0.012 20 0 "[ . 1 . 2]" 1
324 1 29 LEU H 1 29 LEU QB 1.800 . 3.800 2.420 2.207 3.055 . 0 0 "[ . 1 . 2]" 1
325 1 29 LEU H 1 29 LEU MD1 1.800 . 4.800 3.166 1.687 4.009 0.113 8 0 "[ . 1 . 2]" 1
326 1 29 LEU H 1 29 LEU MD2 1.800 . 4.800 4.084 3.218 4.436 . 0 0 "[ . 1 . 2]" 1
327 1 29 LEU H 1 30 LYS H 1.800 . 5.000 4.192 2.177 4.627 . 0 0 "[ . 1 . 2]" 1
328 1 29 LEU H 1 31 GLN H 1.800 . 5.000 4.461 3.721 4.981 . 0 0 "[ . 1 . 2]" 1
329 1 29 LEU HA 1 29 LEU MD1 1.800 . 5.000 3.710 3.402 3.905 . 0 0 "[ . 1 . 2]" 1
330 1 29 LEU HA 1 29 LEU MD2 1.800 . 4.000 2.544 2.026 3.916 . 0 0 "[ . 1 . 2]" 1
331 1 29 LEU HA 1 30 LYS H 1.800 . 3.800 2.502 2.150 3.205 . 0 0 "[ . 1 . 2]" 1
332 1 29 LEU HA 1 31 GLN H 1.800 . 5.000 4.772 4.413 5.050 0.050 11 0 "[ . 1 . 2]" 1
333 1 29 LEU QB 1 29 LEU MD1 1.800 . 4.000 2.075 2.024 2.152 . 0 0 "[ . 1 . 2]" 1
334 1 29 LEU QB 1 29 LEU MD2 1.800 . 3.000 2.117 2.045 2.190 . 0 0 "[ . 1 . 2]" 1
335 1 29 LEU QB 1 31 GLN QG 1.800 . 4.000 3.129 2.132 3.848 . 0 0 "[ . 1 . 2]" 1
336 1 30 LYS H 1 30 LYS HA 1.800 . 3.000 2.681 2.347 2.957 . 0 0 "[ . 1 . 2]" 1
337 1 30 LYS H 1 30 LYS HB2 1.800 . 3.800 3.259 2.193 3.730 . 0 0 "[ . 1 . 2]" 1
338 1 30 LYS H 1 30 LYS HB3 1.800 . 3.800 3.311 2.559 3.783 . 0 0 "[ . 1 . 2]" 1
339 1 30 LYS H 1 30 LYS QG 1.800 . 3.800 2.143 1.764 3.514 0.036 10 0 "[ . 1 . 2]" 1
340 1 30 LYS H 1 31 GLN H 1.800 . 4.000 3.719 3.061 4.043 0.043 16 0 "[ . 1 . 2]" 1
341 1 30 LYS HA 1 31 GLN H 1.800 . 3.000 2.447 2.296 2.807 . 0 0 "[ . 1 . 2]" 1
342 1 31 GLN H 1 31 GLN HB2 1.800 . 3.800 2.327 2.120 2.730 . 0 0 "[ . 1 . 2]" 1
343 1 31 GLN H 1 31 GLN HB3 1.800 . 3.800 3.541 3.253 3.639 . 0 0 "[ . 1 . 2]" 1
344 1 31 GLN H 1 32 ARG H 1.800 . 3.000 2.932 2.738 3.032 0.032 2 0 "[ . 1 . 2]" 1
345 1 31 GLN HA 1 32 ARG H 1.800 . 4.000 3.542 3.496 3.610 . 0 0 "[ . 1 . 2]" 1
346 1 31 GLN HB2 1 32 ARG H 1.800 . 3.500 2.156 1.838 2.669 . 0 0 "[ . 1 . 2]" 1
347 1 31 GLN HB3 1 32 ARG H 1.800 . 3.500 2.444 1.871 3.309 . 0 0 "[ . 1 . 2]" 1
348 1 32 ARG H 1 32 ARG HB2 1.800 . 4.000 3.531 3.106 4.056 0.056 11 0 "[ . 1 . 2]" 1
349 1 32 ARG H 1 32 ARG HB3 1.800 . 4.000 3.462 3.117 3.776 . 0 0 "[ . 1 . 2]" 1
350 1 32 ARG H 1 33 CYS H 1.800 . 4.800 4.090 3.604 4.369 . 0 0 "[ . 1 . 2]" 1
351 1 32 ARG HA 1 33 CYS H 1.800 . 2.600 2.264 2.144 2.627 0.027 10 0 "[ . 1 . 2]" 1
352 1 32 ARG HB2 1 33 CYS H 1.800 . 5.000 3.952 3.209 4.471 . 0 0 "[ . 1 . 2]" 1
353 1 32 ARG HB3 1 33 CYS H 1.800 . 5.000 3.711 2.480 4.352 . 0 0 "[ . 1 . 2]" 1
354 1 32 ARG QG 1 32 ARG QH 1.800 . 4.800 2.796 1.848 3.576 . 0 0 "[ . 1 . 2]" 1
355 1 33 CYS H 1 34 VAL H 1.800 . 4.800 4.519 4.385 4.631 . 0 0 "[ . 1 . 2]" 1
356 1 33 CYS HA 1 34 VAL H 1.800 . 2.600 2.261 2.141 2.434 . 0 0 "[ . 1 . 2]" 1
357 1 33 CYS QB 1 34 VAL H 1.800 . 5.000 3.034 2.433 3.785 . 0 0 "[ . 1 . 2]" 1
358 1 34 VAL H 1 34 VAL HB 1.800 . 3.000 2.801 2.567 3.015 0.015 12 0 "[ . 1 . 2]" 1
359 1 34 VAL H 1 34 VAL MG1 1.800 . 5.000 3.794 2.096 3.990 . 0 0 "[ . 1 . 2]" 1
360 1 34 VAL H 1 34 VAL MG2 1.800 . 3.800 2.981 2.487 3.894 0.094 12 0 "[ . 1 . 2]" 1
361 1 34 VAL H 1 35 CYS H 1.800 . 4.800 3.773 3.250 4.291 . 0 0 "[ . 1 . 2]" 1
362 1 34 VAL HA 1 34 VAL MG1 1.800 . 3.000 2.371 2.134 3.174 0.174 12 0 "[ . 1 . 2]" 1
363 1 34 VAL HA 1 35 CYS H 1.800 . 2.600 2.250 2.130 2.493 . 0 0 "[ . 1 . 2]" 1
364 1 34 VAL HB 1 35 CYS H 1.800 . 5.000 4.421 4.014 4.646 . 0 0 "[ . 1 . 2]" 1
365 1 34 VAL MG1 1 35 CYS H 1.800 . 4.000 3.239 2.563 3.896 . 0 0 "[ . 1 . 2]" 1
366 1 34 VAL MG2 1 35 CYS H 1.800 . 5.000 4.155 3.778 4.334 . 0 0 "[ . 1 . 2]" 1
367 1 35 CYS H 1 35 CYS HB2 1.800 . 3.800 3.417 2.593 3.616 . 0 0 "[ . 1 . 2]" 1
368 1 35 CYS H 1 35 CYS HB3 1.800 . 3.000 2.935 2.502 3.083 0.083 7 0 "[ . 1 . 2]" 1
369 1 35 CYS HA 1 35 CYS HB2 1.800 . 3.000 2.693 2.447 2.772 . 0 0 "[ . 1 . 2]" 1
370 1 35 CYS HA 1 36 TYR H 1.800 . 3.000 2.275 2.136 2.513 . 0 0 "[ . 1 . 2]" 1
371 1 35 CYS HB2 1 36 TYR H 1.800 . 3.800 3.132 2.318 3.841 0.041 2 0 "[ . 1 . 2]" 1
372 1 36 TYR H 1 36 TYR HB3 1.800 . 3.800 2.922 2.490 3.515 . 0 0 "[ . 1 . 2]" 1
373 1 36 TYR HA 1 36 TYR HB2 1.800 . 3.000 2.542 2.337 2.897 . 0 0 "[ . 1 . 2]" 1
374 1 36 TYR HA 1 37 ARG H 1.800 . 4.000 3.484 2.671 3.585 . 0 0 "[ . 1 . 2]" 1
375 1 36 TYR HB2 1 37 ARG H 1.800 . 5.800 3.420 3.121 3.843 . 0 0 "[ . 1 . 2]" 1
376 1 36 TYR HB3 1 37 ARG H 1.800 . 4.800 1.917 1.766 2.424 0.034 4 0 "[ . 1 . 2]" 1
377 1 36 TYR HD1 1 37 ARG HE 1.800 . 3.800 1.899 1.773 2.602 0.027 19 0 "[ . 1 . 2]" 1
378 1 36 TYR HD1 1 37 ARG QG 1.800 . 3.600 2.378 2.171 3.057 . 0 0 "[ . 1 . 2]" 1
379 1 36 TYR HE1 1 37 ARG HE 1.800 . 3.800 3.703 3.218 3.815 0.015 8 0 "[ . 1 . 2]" 1
380 1 36 TYR HE1 1 37 ARG QG 1.800 . 4.800 3.687 2.682 4.826 0.026 19 0 "[ . 1 . 2]" 1
381 1 37 ARG H 1 37 ARG HB2 1.800 . 3.000 2.592 2.437 3.070 0.070 14 0 "[ . 1 . 2]" 1
382 1 37 ARG H 1 37 ARG HB3 1.800 . 4.000 3.620 3.578 3.817 . 0 0 "[ . 1 . 2]" 1
383 1 37 ARG H 1 37 ARG HG2 1.800 . 3.800 3.783 3.625 3.856 0.056 14 0 "[ . 1 . 2]" 1
384 1 37 ARG H 1 37 ARG HG3 1.800 . 4.800 2.722 2.323 3.085 . 0 0 "[ . 1 . 2]" 1
385 1 37 ARG HA 1 37 ARG HB3 1.800 . 2.800 2.456 2.280 2.536 . 0 0 "[ . 1 . 2]" 1
386 1 37 ARG HA 1 37 ARG HD2 3.600 3.600 5.600 3.828 3.592 4.862 0.008 4 0 "[ . 1 . 2]" 1
387 1 37 ARG HA 1 37 ARG HD3 3.600 3.600 5.600 4.609 4.502 4.791 . 0 0 "[ . 1 . 2]" 1
388 1 37 ARG HA 1 37 ARG HE 3.600 3.600 5.600 4.502 3.612 5.483 . 0 0 "[ . 1 . 2]" 1
389 1 37 ARG HA 1 37 ARG HG2 1.800 . 3.600 3.434 3.238 3.639 0.039 19 0 "[ . 1 . 2]" 1
390 1 37 ARG HA 1 37 ARG HG3 1.800 . 2.800 2.351 2.213 2.810 0.010 19 0 "[ . 1 . 2]" 1
391 1 37 ARG HA 1 38 LYS H 1.800 . 3.800 2.352 2.143 3.393 . 0 0 "[ . 1 . 2]" 1
392 1 38 LYS H 1 38 LYS HA 1.800 . 3.000 2.836 2.649 2.958 . 0 0 "[ . 1 . 2]" 1
393 1 38 LYS H 1 38 LYS HB2 1.800 . 3.000 2.467 2.159 2.794 . 0 0 "[ . 1 . 2]" 1
394 1 38 LYS H 1 38 LYS HB3 1.800 . 3.000 2.734 2.314 3.000 . 0 0 "[ . 1 . 2]" 1
395 1 38 LYS H 1 38 LYS HD2 1.800 . 5.000 4.538 3.819 5.019 0.019 15 0 "[ . 1 . 2]" 1
396 1 38 LYS H 1 38 LYS HD3 1.800 . 5.000 4.752 4.022 5.007 0.007 17 0 "[ . 1 . 2]" 1
397 1 38 LYS H 1 38 LYS QG 1.800 . 5.000 4.008 3.760 4.181 . 0 0 "[ . 1 . 2]" 1
398 1 38 LYS HA 1 38 LYS HB2 1.800 . 3.000 2.557 2.363 2.677 . 0 0 "[ . 1 . 2]" 1
399 1 38 LYS HA 1 38 LYS QG 1.800 . 5.000 2.270 2.127 2.603 . 0 0 "[ . 1 . 2]" 1
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