NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
628494 |
5xoa   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5xoa
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 312
_Distance_constraint_stats_list.Viol_count 2182
_Distance_constraint_stats_list.Viol_total 4980.099
_Distance_constraint_stats_list.Viol_max 0.376
_Distance_constraint_stats_list.Viol_rms 0.0724
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0399
_Distance_constraint_stats_list.Viol_average_violations_only 0.1141
_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 SER 1.040 0.049 4 0 "[ . 1 . 2]"
1 3 LYS 1.040 0.049 4 0 "[ . 1 . 2]"
1 4 LYS 10.968 0.276 10 0 "[ . 1 . 2]"
1 5 PRO 7.502 0.276 10 0 "[ . 1 . 2]"
1 6 VAL 6.578 0.133 19 0 "[ . 1 . 2]"
1 7 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ILE 2.621 0.226 20 0 "[ . 1 . 2]"
1 9 ILE 20.105 0.275 4 0 "[ . 1 . 2]"
1 10 TYR 24.755 0.244 20 0 "[ . 1 . 2]"
1 11 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ASN 26.309 0.278 9 0 "[ . 1 . 2]"
1 13 ARG 3.085 0.124 11 0 "[ . 1 . 2]"
1 14 ARG 22.382 0.375 8 0 "[ . 1 . 2]"
1 15 THR 20.438 0.232 16 0 "[ . 1 . 2]"
1 16 GLY 20.633 0.375 8 0 "[ . 1 . 2]"
1 17 LYS 20.516 0.278 9 0 "[ . 1 . 2]"
1 18 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLN 24.676 0.246 20 0 "[ . 1 . 2]"
1 20 ARG 8.266 0.236 20 0 "[ . 1 . 2]"
1 21 PHE 10.182 0.275 4 0 "[ . 1 . 2]"
2 2 SER 1.129 0.049 8 0 "[ . 1 . 2]"
2 3 LYS 1.129 0.049 8 0 "[ . 1 . 2]"
2 4 LYS 10.933 0.276 3 0 "[ . 1 . 2]"
2 5 PRO 7.477 0.276 3 0 "[ . 1 . 2]"
2 6 VAL 6.573 0.128 6 0 "[ . 1 . 2]"
2 7 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 ILE 2.514 0.139 4 0 "[ . 1 . 2]"
2 9 ILE 19.621 0.255 20 0 "[ . 1 . 2]"
2 10 TYR 24.459 0.255 2 0 "[ . 1 . 2]"
2 11 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 ASN 26.341 0.276 8 0 "[ . 1 . 2]"
2 13 ARG 3.091 0.124 7 0 "[ . 1 . 2]"
2 14 ARG 22.058 0.376 13 0 "[ . 1 . 2]"
2 15 THR 20.429 0.234 7 0 "[ . 1 . 2]"
2 16 GLY 20.639 0.376 13 0 "[ . 1 . 2]"
2 17 LYS 20.522 0.276 8 0 "[ . 1 . 2]"
2 18 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 19 GLN 24.448 0.255 2 0 "[ . 1 . 2]"
2 20 ARG 8.172 0.220 7 0 "[ . 1 . 2]"
2 21 PHE 9.897 0.255 20 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 SER H 1 2 SER QB . . 3.000 2.582 2.363 2.922 . 0 0 "[ . 1 . 2]" 1
2 1 2 SER H 1 3 LYS QB . . 4.300 4.177 3.972 4.328 0.028 20 0 "[ . 1 . 2]" 1
3 1 2 SER HA 1 3 LYS H . . 3.500 3.548 3.546 3.549 0.049 4 0 "[ . 1 . 2]" 1
4 1 3 LYS H 1 3 LYS QB . . 3.300 2.411 2.220 2.548 . 0 0 "[ . 1 . 2]" 1
5 1 3 LYS H 1 3 LYS QG . . 3.500 2.901 2.249 3.495 . 0 0 "[ . 1 . 2]" 1
6 1 3 LYS HA 1 4 LYS H . . 3.100 2.406 2.166 2.509 . 0 0 "[ . 1 . 2]" 1
7 1 4 LYS H 1 4 LYS QB . . 3.400 3.234 3.233 3.238 . 0 0 "[ . 1 . 2]" 1
8 1 4 LYS H 1 4 LYS QG . . 3.200 2.364 2.326 2.570 . 0 0 "[ . 1 . 2]" 1
9 1 4 LYS H 1 5 PRO QB . . 4.500 4.565 4.557 4.569 0.069 10 0 "[ . 1 . 2]" 1
10 1 4 LYS H 1 5 PRO QD . . 3.700 2.625 2.612 2.631 . 0 0 "[ . 1 . 2]" 1
11 1 4 LYS H 1 5 PRO QG . . 4.300 4.571 4.560 4.576 0.276 10 0 "[ . 1 . 2]" 1
12 1 4 LYS H 1 6 VAL H . . 4.700 4.741 4.728 4.746 0.046 10 0 "[ . 1 . 2]" 1
13 1 4 LYS H 1 6 VAL QG . . 5.000 5.099 5.090 5.133 0.133 19 0 "[ . 1 . 2]" 1
14 1 4 LYS QG 1 6 VAL H . . 4.100 4.172 4.154 4.181 0.081 16 0 "[ . 1 . 2]" 1
15 1 5 PRO HA 1 5 PRO QD . . 3.400 3.381 3.381 3.382 . 0 0 "[ . 1 . 2]" 1
16 1 5 PRO HA 1 6 VAL H . . 4.200 3.283 3.268 3.288 . 0 0 "[ . 1 . 2]" 1
17 1 5 PRO QB 1 5 PRO QD . . 3.300 2.766 2.766 2.767 . 0 0 "[ . 1 . 2]" 1
18 1 5 PRO QB 1 6 VAL H . . 3.700 3.739 3.733 3.755 0.055 19 0 "[ . 1 . 2]" 1
19 1 6 VAL H 1 6 VAL HA . . 2.900 2.938 2.931 2.947 0.047 12 0 "[ . 1 . 2]" 1
20 1 6 VAL H 1 6 VAL HB . . 3.200 3.136 2.982 3.310 0.110 16 0 "[ . 1 . 2]" 1
21 1 6 VAL H 1 6 VAL QG . . 2.900 1.866 1.852 1.883 . 0 0 "[ . 1 . 2]" 1
22 1 6 VAL QG 1 21 PHE H . . 3.900 2.635 2.203 2.973 . 0 0 "[ . 1 . 2]" 1
23 1 7 PRO HA 1 7 PRO QD . . 3.400 3.381 3.381 3.382 . 0 0 "[ . 1 . 2]" 1
24 1 7 PRO QB 1 8 ILE H . . 3.600 1.938 1.887 1.981 . 0 0 "[ . 1 . 2]" 1
25 1 7 PRO QD 1 8 ILE H . . 4.100 3.342 3.305 3.389 . 0 0 "[ . 1 . 2]" 1
26 1 7 PRO QG 1 8 ILE H . . 4.100 1.753 1.730 1.783 . 0 0 "[ . 1 . 2]" 1
27 1 8 ILE H 1 8 ILE HB . . 3.700 3.613 3.067 3.748 0.048 19 0 "[ . 1 . 2]" 1
28 1 8 ILE H 1 8 ILE MD . . 3.500 3.519 1.862 3.627 0.127 5 0 "[ . 1 . 2]" 1
29 1 8 ILE H 1 8 ILE QG . . 3.600 1.910 1.869 2.408 . 0 0 "[ . 1 . 2]" 1
30 1 8 ILE H 1 8 ILE MG . . 3.600 3.161 2.707 3.826 0.226 20 0 "[ . 1 . 2]" 1
31 1 8 ILE H 1 21 PHE QB . . 4.000 2.747 2.653 2.855 . 0 0 "[ . 1 . 2]" 1
32 1 8 ILE H 1 21 PHE QD . . 4.000 3.821 3.628 3.923 . 0 0 "[ . 1 . 2]" 1
33 1 8 ILE HA 1 9 ILE H . . 2.900 2.565 2.553 2.582 . 0 0 "[ . 1 . 2]" 1
34 1 8 ILE MD 1 21 PHE QE . . 2.500 2.179 2.051 2.570 0.070 20 0 "[ . 1 . 2]" 1
35 1 8 ILE MD 2 12 ASN QD . . 4.900 4.117 3.841 4.492 . 0 0 "[ . 1 . 2]" 1
36 1 8 ILE MD 2 13 ARG H . . 3.000 2.474 2.163 2.998 . 0 0 "[ . 1 . 2]" 1
37 1 8 ILE MD 2 14 ARG H . . 4.600 4.550 4.449 4.603 0.003 9 0 "[ . 1 . 2]" 1
38 1 8 ILE QG 1 9 ILE H . . 4.000 3.705 3.179 4.151 0.151 20 0 "[ . 1 . 2]" 1
39 1 8 ILE MG 1 9 ILE H . . 3.900 3.159 1.908 3.555 . 0 0 "[ . 1 . 2]" 1
40 1 9 ILE H 1 9 ILE HA . . 2.900 2.933 2.931 2.935 0.035 16 0 "[ . 1 . 2]" 1
41 1 9 ILE H 1 9 ILE HB . . 3.200 2.724 2.714 2.738 . 0 0 "[ . 1 . 2]" 1
42 1 9 ILE H 1 9 ILE QG . . 4.100 4.047 4.041 4.059 . 0 0 "[ . 1 . 2]" 1
43 1 9 ILE H 1 9 ILE MG . . 3.700 3.080 3.076 3.086 . 0 0 "[ . 1 . 2]" 1
44 1 9 ILE H 1 10 TYR H . . 4.400 4.418 4.411 4.420 0.020 6 0 "[ . 1 . 2]" 1
45 1 9 ILE H 1 21 PHE QB . . 4.000 4.252 4.173 4.275 0.275 4 0 "[ . 1 . 2]" 1
46 1 9 ILE H 1 21 PHE QD . . 4.700 4.572 4.202 4.749 0.049 19 0 "[ . 1 . 2]" 1
47 1 9 ILE HA 1 10 TYR H . . 2.900 2.298 2.292 2.302 . 0 0 "[ . 1 . 2]" 1
48 1 9 ILE HB 1 10 TYR H . . 4.200 4.157 4.151 4.166 . 0 0 "[ . 1 . 2]" 1
49 1 9 ILE MD 1 10 TYR H . . 3.100 1.807 1.801 1.814 . 0 0 "[ . 1 . 2]" 1
50 1 9 ILE MD 1 10 TYR QD . . 3.200 2.717 2.703 2.739 . 0 0 "[ . 1 . 2]" 1
51 1 9 ILE MD 1 10 TYR QE . . 3.100 3.234 3.224 3.251 0.151 20 0 "[ . 1 . 2]" 1
52 1 9 ILE MD 1 19 GLN H . . 3.400 3.455 3.450 3.465 0.065 20 0 "[ . 1 . 2]" 1
53 1 9 ILE MD 1 19 GLN QE . . 4.000 4.152 4.148 4.160 0.160 20 0 "[ . 1 . 2]" 1
54 1 9 ILE MD 1 20 ARG H . . 3.600 3.814 3.810 3.836 0.236 20 0 "[ . 1 . 2]" 1
55 1 9 ILE QG 1 10 TYR H . . 4.100 3.511 3.502 3.526 . 0 0 "[ . 1 . 2]" 1
56 1 9 ILE MG 1 10 TYR H . . 3.900 2.445 2.434 2.463 . 0 0 "[ . 1 . 2]" 1
57 1 9 ILE MG 1 10 TYR QD . . 3.800 3.927 3.913 3.956 0.156 20 0 "[ . 1 . 2]" 1
58 1 10 TYR H 1 10 TYR QB . . 3.100 3.261 3.258 3.264 0.164 20 0 "[ . 1 . 2]" 1
59 1 10 TYR H 1 10 TYR QD . . 3.700 1.932 1.923 1.939 . 0 0 "[ . 1 . 2]" 1
60 1 10 TYR H 1 19 GLN H . . 4.200 4.283 4.278 4.290 0.090 18 0 "[ . 1 . 2]" 1
61 1 10 TYR H 1 19 GLN QG . . 4.000 3.789 3.776 3.796 . 0 0 "[ . 1 . 2]" 1
62 1 10 TYR H 1 20 ARG HA . . 3.700 3.707 3.697 3.714 0.014 20 0 "[ . 1 . 2]" 1
63 1 10 TYR H 1 21 PHE QD . . 4.800 4.833 4.816 4.879 0.079 20 0 "[ . 1 . 2]" 1
64 1 10 TYR HA 1 10 TYR QD . . 3.400 3.550 3.546 3.552 0.152 5 0 "[ . 1 . 2]" 1
65 1 10 TYR HA 1 11 CYS H . . 3.000 2.156 2.154 2.157 . 0 0 "[ . 1 . 2]" 1
66 1 10 TYR QB 1 10 TYR QD . . 2.800 2.228 2.227 2.231 . 0 0 "[ . 1 . 2]" 1
67 1 10 TYR QB 1 19 GLN QE . . 3.900 3.564 3.557 3.570 . 0 0 "[ . 1 . 2]" 1
68 1 10 TYR QD 1 11 CYS H . . 4.500 4.389 4.382 4.397 . 0 0 "[ . 1 . 2]" 1
69 1 10 TYR QD 1 19 GLN H . . 4.000 3.285 3.274 3.298 . 0 0 "[ . 1 . 2]" 1
70 1 10 TYR QD 1 19 GLN HA . . 4.500 4.739 4.735 4.744 0.244 20 0 "[ . 1 . 2]" 1
71 1 10 TYR QD 1 19 GLN QB . . 3.600 3.722 3.713 3.725 0.125 19 0 "[ . 1 . 2]" 1
72 1 10 TYR QD 1 19 GLN QE . . 4.000 2.930 2.921 2.938 . 0 0 "[ . 1 . 2]" 1
73 1 10 TYR QD 1 19 GLN QG . . 3.600 1.970 1.959 1.974 . 0 0 "[ . 1 . 2]" 1
74 1 10 TYR QD 1 21 PHE QD . . 3.600 3.301 3.212 3.516 . 0 0 "[ . 1 . 2]" 1
75 1 10 TYR QE 1 19 GLN H . . 4.800 4.342 4.327 4.370 . 0 0 "[ . 1 . 2]" 1
76 1 10 TYR QE 1 19 GLN HA . . 4.400 4.159 4.144 4.188 . 0 0 "[ . 1 . 2]" 1
77 1 10 TYR QE 1 19 GLN QB . . 3.700 2.598 2.584 2.609 . 0 0 "[ . 1 . 2]" 1
78 1 10 TYR QE 1 19 GLN QE . . 4.300 4.464 4.454 4.480 0.180 20 0 "[ . 1 . 2]" 1
79 1 10 TYR QE 1 19 GLN QG . . 3.700 2.595 2.589 2.603 . 0 0 "[ . 1 . 2]" 1
80 1 10 TYR QE 1 21 PHE QD . . 3.900 2.831 2.621 3.145 . 0 0 "[ . 1 . 2]" 1
81 1 11 CYS H 1 11 CYS QB . . 2.900 2.218 2.215 2.220 . 0 0 "[ . 1 . 2]" 1
82 1 11 CYS H 1 19 GLN QE . . 4.100 3.862 3.848 3.869 . 0 0 "[ . 1 . 2]" 1
83 1 12 ASN H 1 12 ASN HA . . 3.000 2.937 2.936 2.937 . 0 0 "[ . 1 . 2]" 1
84 1 12 ASN H 1 12 ASN QB . . 3.000 2.246 2.245 2.248 . 0 0 "[ . 1 . 2]" 1
85 1 12 ASN H 1 12 ASN QD . . 3.500 3.082 3.079 3.089 . 0 0 "[ . 1 . 2]" 1
86 1 12 ASN H 1 13 ARG H . . 4.300 4.333 4.330 4.337 0.037 9 0 "[ . 1 . 2]" 1
87 1 12 ASN H 1 17 LYS H . . 4.400 4.556 4.551 4.562 0.162 18 0 "[ . 1 . 2]" 1
88 1 12 ASN H 1 18 CYS HA . . 3.400 2.077 2.065 2.089 . 0 0 "[ . 1 . 2]" 1
89 1 12 ASN H 1 19 GLN H . . 4.100 4.112 4.107 4.115 0.015 14 0 "[ . 1 . 2]" 1
90 1 12 ASN H 1 19 GLN QE . . 4.200 2.218 2.209 2.226 . 0 0 "[ . 1 . 2]" 1
91 1 12 ASN HA 1 12 ASN QD . . 3.700 3.801 3.799 3.803 0.103 9 0 "[ . 1 . 2]" 1
92 1 12 ASN HA 1 13 ARG H . . 3.100 2.141 2.140 2.141 . 0 0 "[ . 1 . 2]" 1
93 1 12 ASN HA 1 14 ARG H . . 4.400 4.475 4.471 4.478 0.078 9 0 "[ . 1 . 2]" 1
94 1 12 ASN QB 1 13 ARG H . . 3.900 3.724 3.719 3.728 . 0 0 "[ . 1 . 2]" 1
95 1 12 ASN QB 1 14 ARG H . . 4.100 4.187 4.182 4.190 0.090 2 0 "[ . 1 . 2]" 1
96 1 12 ASN QB 1 17 LYS H . . 3.800 4.074 4.071 4.078 0.278 9 0 "[ . 1 . 2]" 1
97 1 12 ASN QB 1 18 CYS H . . 3.900 3.709 3.695 3.724 . 0 0 "[ . 1 . 2]" 1
98 1 12 ASN QD 1 13 ARG H . . 4.100 4.221 4.218 4.224 0.124 11 0 "[ . 1 . 2]" 1
99 1 12 ASN QD 1 14 ARG H . . 3.900 2.200 2.197 2.204 . 0 0 "[ . 1 . 2]" 1
100 1 12 ASN QD 1 14 ARG QB . . 3.500 1.647 1.638 1.649 . 0 0 "[ . 1 . 2]" 1
101 1 12 ASN QD 1 15 THR HA . . 4.500 4.648 4.646 4.651 0.151 9 0 "[ . 1 . 2]" 1
102 1 12 ASN QD 1 15 THR MG . . 3.300 3.337 3.333 3.340 0.040 9 0 "[ . 1 . 2]" 1
103 1 12 ASN QD 1 16 GLY H . . 4.200 4.230 4.227 4.234 0.034 9 0 "[ . 1 . 2]" 1
104 1 12 ASN QD 1 16 GLY QA . . 4.000 3.913 3.911 3.916 . 0 0 "[ . 1 . 2]" 1
105 1 12 ASN QD 1 17 LYS QB . . 3.400 1.909 1.905 1.911 . 0 0 "[ . 1 . 2]" 1
106 1 12 ASN QD 1 18 CYS QB . . 5.100 4.967 4.964 4.970 . 0 0 "[ . 1 . 2]" 1
107 1 12 ASN QD 1 19 GLN QE . . 3.800 4.043 4.038 4.046 0.246 20 0 "[ . 1 . 2]" 1
108 1 12 ASN QD 2 8 ILE MD . . 4.900 4.177 3.825 4.545 . 0 0 "[ . 1 . 2]" 1
109 1 13 ARG H 1 13 ARG QB . . 3.400 2.392 2.183 2.639 . 0 0 "[ . 1 . 2]" 1
110 1 13 ARG H 1 13 ARG QD . . 3.800 3.153 2.066 3.747 . 0 0 "[ . 1 . 2]" 1
111 1 13 ARG H 1 13 ARG QG . . 3.400 2.541 1.994 3.366 . 0 0 "[ . 1 . 2]" 1
112 1 13 ARG H 1 14 ARG H . . 4.100 3.712 3.709 3.714 . 0 0 "[ . 1 . 2]" 1
113 1 13 ARG H 2 8 ILE MD . . 3.000 2.390 1.963 2.979 . 0 0 "[ . 1 . 2]" 1
114 1 13 ARG HA 1 14 ARG H . . 3.300 2.505 2.503 2.506 . 0 0 "[ . 1 . 2]" 1
115 1 14 ARG H 1 14 ARG QB . . 2.900 2.841 2.830 2.846 . 0 0 "[ . 1 . 2]" 1
116 1 14 ARG H 1 14 ARG QD . . 4.000 4.060 4.034 4.089 0.089 9 0 "[ . 1 . 2]" 1
117 1 14 ARG H 1 14 ARG QG . . 3.300 3.037 3.029 3.069 . 0 0 "[ . 1 . 2]" 1
118 1 14 ARG H 1 15 THR H . . 4.300 4.178 4.177 4.179 . 0 0 "[ . 1 . 2]" 1
119 1 14 ARG H 1 15 THR HA . . 5.100 5.186 5.185 5.187 0.087 7 0 "[ . 1 . 2]" 1
120 1 14 ARG H 1 16 GLY H . . 4.400 4.539 4.538 4.540 0.140 8 0 "[ . 1 . 2]" 1
121 1 14 ARG H 1 16 GLY QA . . 4.600 4.699 4.698 4.700 0.100 10 0 "[ . 1 . 2]" 1
122 1 14 ARG H 2 8 ILE MD . . 4.600 4.489 4.299 4.612 0.012 9 0 "[ . 1 . 2]" 1
123 1 14 ARG HA 1 15 THR H . . 3.600 2.927 2.925 2.929 . 0 0 "[ . 1 . 2]" 1
124 1 14 ARG HA 1 16 GLY H . . 4.600 4.973 4.972 4.975 0.375 8 0 "[ . 1 . 2]" 1
125 1 14 ARG QB 1 15 THR H . . 3.300 1.730 1.714 1.734 . 0 0 "[ . 1 . 2]" 1
126 1 14 ARG QB 1 16 GLY H . . 4.600 4.800 4.798 4.801 0.201 9 0 "[ . 1 . 2]" 1
127 1 14 ARG QB 1 17 LYS H . . 4.000 3.989 3.984 3.993 . 0 0 "[ . 1 . 2]" 1
128 1 15 THR H 1 15 THR MG . . 3.000 2.181 2.179 2.183 . 0 0 "[ . 1 . 2]" 1
129 1 15 THR H 1 16 GLY H . . 4.400 4.156 4.155 4.157 . 0 0 "[ . 1 . 2]" 1
130 1 15 THR H 1 17 LYS QB . . 3.800 4.029 4.025 4.032 0.232 16 0 "[ . 1 . 2]" 1
131 1 15 THR H 1 17 LYS QG . . 4.100 4.272 4.269 4.275 0.175 20 0 "[ . 1 . 2]" 1
132 1 15 THR HA 1 16 GLY H . . 3.100 2.263 2.262 2.264 . 0 0 "[ . 1 . 2]" 1
133 1 15 THR MG 1 16 GLY H . . 4.000 4.173 4.172 4.174 0.174 2 0 "[ . 1 . 2]" 1
134 1 15 THR MG 1 17 LYS H . . 3.900 4.078 4.076 4.080 0.180 16 0 "[ . 1 . 2]" 1
135 1 16 GLY H 1 17 LYS H . . 3.400 3.418 3.416 3.419 0.019 16 0 "[ . 1 . 2]" 1
136 1 16 GLY QA 1 17 LYS H . . 3.600 2.480 2.478 2.481 . 0 0 "[ . 1 . 2]" 1
137 1 17 LYS H 1 17 LYS QB . . 3.200 2.520 2.517 2.523 . 0 0 "[ . 1 . 2]" 1
138 1 17 LYS H 1 17 LYS QG . . 3.700 3.525 3.523 3.527 . 0 0 "[ . 1 . 2]" 1
139 1 17 LYS H 1 18 CYS H . . 4.500 4.430 4.429 4.431 . 0 0 "[ . 1 . 2]" 1
140 1 17 LYS QB 1 18 CYS H . . 3.400 2.782 2.775 2.789 . 0 0 "[ . 1 . 2]" 1
141 1 17 LYS QG 1 18 CYS H . . 3.800 3.753 3.748 3.761 . 0 0 "[ . 1 . 2]" 1
142 1 18 CYS H 1 18 CYS HA . . 3.000 2.907 2.906 2.909 . 0 0 "[ . 1 . 2]" 1
143 1 18 CYS H 1 18 CYS QB . . 3.100 2.720 2.719 2.722 . 0 0 "[ . 1 . 2]" 1
144 1 19 GLN H 1 19 GLN HA . . 2.800 2.888 2.886 2.891 0.091 11 0 "[ . 1 . 2]" 1
145 1 19 GLN H 1 19 GLN QB . . 3.400 3.305 3.302 3.307 . 0 0 "[ . 1 . 2]" 1
146 1 19 GLN H 1 19 GLN QG . . 3.500 2.644 2.638 2.651 . 0 0 "[ . 1 . 2]" 1
147 1 19 GLN HA 1 19 GLN QE . . 4.100 4.176 4.172 4.179 0.079 9 0 "[ . 1 . 2]" 1
148 1 19 GLN QB 1 19 GLN QE . . 3.900 3.443 3.440 3.446 . 0 0 "[ . 1 . 2]" 1
149 1 20 ARG H 1 20 ARG HA . . 2.900 2.928 2.927 2.931 0.031 18 0 "[ . 1 . 2]" 1
150 1 20 ARG H 1 20 ARG QB . . 3.000 2.661 2.310 2.957 . 0 0 "[ . 1 . 2]" 1
151 1 20 ARG H 1 20 ARG QD . . 3.100 2.611 1.998 3.134 0.034 18 0 "[ . 1 . 2]" 1
152 1 20 ARG H 1 20 ARG QG . . 3.200 2.411 1.816 3.193 . 0 0 "[ . 1 . 2]" 1
153 1 20 ARG H 1 21 PHE H . . 4.400 4.561 4.558 4.563 0.163 15 0 "[ . 1 . 2]" 1
154 1 20 ARG HA 1 21 PHE H . . 2.700 2.358 2.328 2.372 . 0 0 "[ . 1 . 2]" 1
155 1 21 PHE H 1 21 PHE QB . . 3.900 2.385 2.354 2.397 . 0 0 "[ . 1 . 2]" 1
156 1 21 PHE HA 1 21 PHE QD . . 3.200 2.682 2.305 2.969 . 0 0 "[ . 1 . 2]" 1
157 1 21 PHE HA 1 21 PHE QE . . 4.500 4.404 4.245 4.520 0.020 19 0 "[ . 1 . 2]" 1
158 1 21 PHE QB 1 21 PHE QD . . 2.900 2.174 2.138 2.223 . 0 0 "[ . 1 . 2]" 1
159 1 21 PHE QB 1 21 PHE QE . . 3.900 3.945 3.934 3.958 0.058 20 0 "[ . 1 . 2]" 1
160 2 2 SER H 2 2 SER QB . . 3.000 2.611 2.187 2.928 . 0 0 "[ . 1 . 2]" 1
161 2 2 SER H 2 3 LYS QB . . 4.300 4.168 3.954 4.327 0.027 7 0 "[ . 1 . 2]" 1
162 2 2 SER HA 2 3 LYS H . . 3.500 3.548 3.546 3.549 0.049 8 0 "[ . 1 . 2]" 1
163 2 3 LYS H 2 3 LYS QB . . 3.300 2.352 2.157 2.537 . 0 0 "[ . 1 . 2]" 1
164 2 3 LYS H 2 3 LYS QG . . 3.500 2.820 2.258 3.488 . 0 0 "[ . 1 . 2]" 1
165 2 3 LYS HA 2 4 LYS H . . 3.100 2.451 2.324 2.515 . 0 0 "[ . 1 . 2]" 1
166 2 4 LYS H 2 4 LYS QB . . 3.400 3.234 3.232 3.236 . 0 0 "[ . 1 . 2]" 1
167 2 4 LYS H 2 4 LYS QG . . 3.200 2.340 2.327 2.571 . 0 0 "[ . 1 . 2]" 1
168 2 4 LYS H 2 5 PRO QB . . 4.500 4.565 4.561 4.569 0.069 5 0 "[ . 1 . 2]" 1
169 2 4 LYS H 2 5 PRO QD . . 3.700 2.625 2.619 2.631 . 0 0 "[ . 1 . 2]" 1
170 2 4 LYS H 2 5 PRO QG . . 4.300 4.570 4.565 4.576 0.276 3 0 "[ . 1 . 2]" 1
171 2 4 LYS H 2 6 VAL H . . 4.700 4.742 4.737 4.747 0.047 3 0 "[ . 1 . 2]" 1
172 2 4 LYS H 2 6 VAL QG . . 5.000 5.098 5.087 5.128 0.128 6 0 "[ . 1 . 2]" 1
173 2 4 LYS QG 2 6 VAL H . . 4.100 4.171 4.166 4.180 0.080 16 0 "[ . 1 . 2]" 1
174 2 5 PRO HA 2 5 PRO QD . . 3.400 3.381 3.381 3.382 . 0 0 "[ . 1 . 2]" 1
175 2 5 PRO HA 2 6 VAL H . . 4.200 3.284 3.278 3.289 . 0 0 "[ . 1 . 2]" 1
176 2 5 PRO QB 2 5 PRO QD . . 3.300 2.766 2.766 2.767 . 0 0 "[ . 1 . 2]" 1
177 2 5 PRO QB 2 6 VAL H . . 3.700 3.738 3.732 3.746 0.046 16 0 "[ . 1 . 2]" 1
178 2 6 VAL H 2 6 VAL HA . . 2.900 2.939 2.931 2.946 0.046 18 0 "[ . 1 . 2]" 1
179 2 6 VAL H 2 6 VAL HB . . 3.200 3.158 2.960 3.299 0.099 11 0 "[ . 1 . 2]" 1
180 2 6 VAL H 2 6 VAL QG . . 2.900 1.860 1.852 1.888 . 0 0 "[ . 1 . 2]" 1
181 2 6 VAL QG 2 21 PHE H . . 3.900 2.364 1.866 2.791 . 0 0 "[ . 1 . 2]" 1
182 2 7 PRO HA 2 7 PRO QD . . 3.400 3.381 3.380 3.382 . 0 0 "[ . 1 . 2]" 1
183 2 7 PRO QB 2 8 ILE H . . 3.600 2.165 1.927 2.543 . 0 0 "[ . 1 . 2]" 1
184 2 7 PRO QD 2 8 ILE H . . 4.100 3.162 2.865 3.352 . 0 0 "[ . 1 . 2]" 1
185 2 7 PRO QG 2 8 ILE H . . 4.100 1.735 1.679 1.758 . 0 0 "[ . 1 . 2]" 1
186 2 8 ILE H 2 8 ILE HB . . 3.700 3.597 3.556 3.746 0.046 2 0 "[ . 1 . 2]" 1
187 2 8 ILE H 2 8 ILE MD . . 3.500 3.617 3.578 3.639 0.139 4 0 "[ . 1 . 2]" 1
188 2 8 ILE H 2 8 ILE QG . . 3.600 1.890 1.866 1.942 . 0 0 "[ . 1 . 2]" 1
189 2 8 ILE H 2 8 ILE MG . . 3.600 3.294 2.869 3.416 . 0 0 "[ . 1 . 2]" 1
190 2 8 ILE H 2 21 PHE QB . . 4.000 2.713 2.684 2.755 . 0 0 "[ . 1 . 2]" 1
191 2 8 ILE H 2 21 PHE QD . . 4.000 3.853 3.779 4.009 0.009 4 0 "[ . 1 . 2]" 1
192 2 8 ILE HA 2 9 ILE H . . 2.900 2.540 2.461 2.569 . 0 0 "[ . 1 . 2]" 1
193 2 8 ILE MD 2 21 PHE QE . . 2.500 2.104 2.055 2.337 . 0 0 "[ . 1 . 2]" 1
194 2 8 ILE QG 2 9 ILE H . . 4.000 3.879 3.220 4.034 0.034 4 0 "[ . 1 . 2]" 1
195 2 8 ILE MG 2 9 ILE H . . 3.900 3.099 3.005 3.536 . 0 0 "[ . 1 . 2]" 1
196 2 9 ILE H 2 9 ILE HA . . 2.900 2.934 2.933 2.935 0.035 17 0 "[ . 1 . 2]" 1
197 2 9 ILE H 2 9 ILE HB . . 3.200 2.715 2.710 2.727 . 0 0 "[ . 1 . 2]" 1
198 2 9 ILE H 2 9 ILE QG . . 4.100 4.042 4.039 4.052 . 0 0 "[ . 1 . 2]" 1
199 2 9 ILE H 2 9 ILE MG . . 3.700 3.078 3.075 3.079 . 0 0 "[ . 1 . 2]" 1
200 2 9 ILE H 2 10 TYR H . . 4.400 4.420 4.417 4.421 0.021 7 0 "[ . 1 . 2]" 1
201 2 9 ILE H 2 21 PHE QB . . 4.000 4.239 4.224 4.255 0.255 20 0 "[ . 1 . 2]" 1
202 2 9 ILE H 2 21 PHE QD . . 4.700 4.447 4.336 4.730 0.030 2 0 "[ . 1 . 2]" 1
203 2 9 ILE HA 2 10 TYR H . . 2.900 2.296 2.294 2.298 . 0 0 "[ . 1 . 2]" 1
204 2 9 ILE HB 2 10 TYR H . . 4.200 4.161 4.158 4.162 . 0 0 "[ . 1 . 2]" 1
205 2 9 ILE MD 2 10 TYR H . . 3.100 1.808 1.804 1.811 . 0 0 "[ . 1 . 2]" 1
206 2 9 ILE MD 2 10 TYR QD . . 3.200 2.715 2.693 2.720 . 0 0 "[ . 1 . 2]" 1
207 2 9 ILE MD 2 10 TYR QE . . 3.100 3.234 3.228 3.238 0.138 15 0 "[ . 1 . 2]" 1
208 2 9 ILE MD 2 19 GLN H . . 3.400 3.453 3.447 3.464 0.064 7 0 "[ . 1 . 2]" 1
209 2 9 ILE MD 2 19 GLN QE . . 4.000 4.155 4.149 4.160 0.160 7 0 "[ . 1 . 2]" 1
210 2 9 ILE MD 2 20 ARG H . . 3.600 3.816 3.812 3.820 0.220 7 0 "[ . 1 . 2]" 1
211 2 9 ILE QG 2 10 TYR H . . 4.100 3.515 3.509 3.518 . 0 0 "[ . 1 . 2]" 1
212 2 9 ILE MG 2 10 TYR H . . 3.900 2.451 2.445 2.457 . 0 0 "[ . 1 . 2]" 1
213 2 9 ILE MG 2 10 TYR QD . . 3.800 3.924 3.915 3.930 0.130 9 0 "[ . 1 . 2]" 1
214 2 10 TYR H 2 10 TYR QB . . 3.100 3.260 3.258 3.263 0.163 2 0 "[ . 1 . 2]" 1
215 2 10 TYR H 2 10 TYR QD . . 3.700 1.923 1.894 1.931 . 0 0 "[ . 1 . 2]" 1
216 2 10 TYR H 2 19 GLN H . . 4.200 4.279 4.274 4.286 0.086 9 0 "[ . 1 . 2]" 1
217 2 10 TYR H 2 19 GLN QG . . 4.000 3.786 3.753 3.796 . 0 0 "[ . 1 . 2]" 1
218 2 10 TYR H 2 20 ARG HA . . 3.700 3.702 3.690 3.718 0.018 9 0 "[ . 1 . 2]" 1
219 2 10 TYR H 2 21 PHE QD . . 4.800 4.840 4.835 4.846 0.046 5 0 "[ . 1 . 2]" 1
220 2 10 TYR HA 2 10 TYR QD . . 3.400 3.547 3.536 3.549 0.149 9 0 "[ . 1 . 2]" 1
221 2 10 TYR HA 2 11 CYS H . . 3.000 2.155 2.154 2.157 . 0 0 "[ . 1 . 2]" 1
222 2 10 TYR QB 2 10 TYR QD . . 2.800 2.230 2.229 2.237 . 0 0 "[ . 1 . 2]" 1
223 2 10 TYR QB 2 19 GLN QE . . 3.900 3.568 3.560 3.588 . 0 0 "[ . 1 . 2]" 1
224 2 10 TYR QD 2 11 CYS H . . 4.500 4.386 4.374 4.389 . 0 0 "[ . 1 . 2]" 1
225 2 10 TYR QD 2 19 GLN H . . 4.000 3.279 3.263 3.292 . 0 0 "[ . 1 . 2]" 1
226 2 10 TYR QD 2 19 GLN HA . . 4.500 4.737 4.731 4.755 0.255 2 0 "[ . 1 . 2]" 1
227 2 10 TYR QD 2 19 GLN QB . . 3.600 3.723 3.715 3.726 0.126 3 0 "[ . 1 . 2]" 1
228 2 10 TYR QD 2 19 GLN QE . . 4.000 2.931 2.921 2.958 . 0 0 "[ . 1 . 2]" 1
229 2 10 TYR QD 2 19 GLN QG . . 3.600 1.974 1.971 1.977 . 0 0 "[ . 1 . 2]" 1
230 2 10 TYR QD 2 21 PHE QD . . 3.600 3.351 3.217 3.415 . 0 0 "[ . 1 . 2]" 1
231 2 10 TYR QE 2 19 GLN H . . 4.800 4.327 4.315 4.337 . 0 0 "[ . 1 . 2]" 1
232 2 10 TYR QE 2 19 GLN HA . . 4.400 4.144 4.135 4.150 . 0 0 "[ . 1 . 2]" 1
233 2 10 TYR QE 2 19 GLN QB . . 3.700 2.585 2.545 2.594 . 0 0 "[ . 1 . 2]" 1
234 2 10 TYR QE 2 19 GLN QE . . 4.300 4.456 4.451 4.460 0.160 19 0 "[ . 1 . 2]" 1
235 2 10 TYR QE 2 19 GLN QG . . 3.700 2.588 2.574 2.592 . 0 0 "[ . 1 . 2]" 1
236 2 10 TYR QE 2 21 PHE QD . . 3.900 2.989 2.720 3.090 . 0 0 "[ . 1 . 2]" 1
237 2 11 CYS H 2 11 CYS QB . . 2.900 2.218 2.215 2.221 . 0 0 "[ . 1 . 2]" 1
238 2 11 CYS H 2 19 GLN QE . . 4.100 3.867 3.858 3.876 . 0 0 "[ . 1 . 2]" 1
239 2 12 ASN H 2 12 ASN HA . . 3.000 2.937 2.935 2.938 . 0 0 "[ . 1 . 2]" 1
240 2 12 ASN H 2 12 ASN QB . . 3.000 2.246 2.244 2.249 . 0 0 "[ . 1 . 2]" 1
241 2 12 ASN H 2 12 ASN QD . . 3.500 3.082 3.078 3.087 . 0 0 "[ . 1 . 2]" 1
242 2 12 ASN H 2 13 ARG H . . 4.300 4.333 4.331 4.335 0.035 15 0 "[ . 1 . 2]" 1
243 2 12 ASN H 2 17 LYS H . . 4.400 4.556 4.554 4.561 0.161 2 0 "[ . 1 . 2]" 1
244 2 12 ASN H 2 18 CYS HA . . 3.400 2.081 2.069 2.104 . 0 0 "[ . 1 . 2]" 1
245 2 12 ASN H 2 19 GLN H . . 4.100 4.115 4.113 4.119 0.019 12 0 "[ . 1 . 2]" 1
246 2 12 ASN H 2 19 GLN QE . . 4.200 2.221 2.209 2.240 . 0 0 "[ . 1 . 2]" 1
247 2 12 ASN HA 2 12 ASN QD . . 3.700 3.801 3.799 3.802 0.102 4 0 "[ . 1 . 2]" 1
248 2 12 ASN HA 2 13 ARG H . . 3.100 2.141 2.140 2.142 . 0 0 "[ . 1 . 2]" 1
249 2 12 ASN HA 2 14 ARG H . . 4.400 4.475 4.470 4.478 0.078 7 0 "[ . 1 . 2]" 1
250 2 12 ASN QB 2 13 ARG H . . 3.900 3.724 3.722 3.727 . 0 0 "[ . 1 . 2]" 1
251 2 12 ASN QB 2 14 ARG H . . 4.100 4.187 4.182 4.191 0.091 7 0 "[ . 1 . 2]" 1
252 2 12 ASN QB 2 17 LYS H . . 3.800 4.074 4.072 4.076 0.276 8 0 "[ . 1 . 2]" 1
253 2 12 ASN QB 2 18 CYS H . . 3.900 3.714 3.694 3.740 . 0 0 "[ . 1 . 2]" 1
254 2 12 ASN QD 2 13 ARG H . . 4.100 4.222 4.219 4.224 0.124 7 0 "[ . 1 . 2]" 1
255 2 12 ASN QD 2 14 ARG H . . 3.900 2.201 2.197 2.205 . 0 0 "[ . 1 . 2]" 1
256 2 12 ASN QD 2 14 ARG QB . . 3.500 1.647 1.644 1.650 . 0 0 "[ . 1 . 2]" 1
257 2 12 ASN QD 2 15 THR HA . . 4.500 4.648 4.645 4.650 0.150 7 0 "[ . 1 . 2]" 1
258 2 12 ASN QD 2 15 THR MG . . 3.300 3.336 3.334 3.338 0.038 20 0 "[ . 1 . 2]" 1
259 2 12 ASN QD 2 16 GLY H . . 4.200 4.230 4.227 4.232 0.032 7 0 "[ . 1 . 2]" 1
260 2 12 ASN QD 2 16 GLY QA . . 4.000 3.913 3.911 3.914 . 0 0 "[ . 1 . 2]" 1
261 2 12 ASN QD 2 17 LYS QB . . 3.400 1.909 1.907 1.912 . 0 0 "[ . 1 . 2]" 1
262 2 12 ASN QD 2 18 CYS QB . . 5.100 4.969 4.965 4.971 . 0 0 "[ . 1 . 2]" 1
263 2 12 ASN QD 2 19 GLN QE . . 3.800 4.040 4.037 4.043 0.243 14 0 "[ . 1 . 2]" 1
264 2 13 ARG H 2 13 ARG QB . . 3.400 2.366 2.198 2.618 . 0 0 "[ . 1 . 2]" 1
265 2 13 ARG H 2 13 ARG QD . . 3.800 3.107 2.049 3.767 . 0 0 "[ . 1 . 2]" 1
266 2 13 ARG H 2 13 ARG QG . . 3.400 2.614 1.932 3.357 . 0 0 "[ . 1 . 2]" 1
267 2 13 ARG H 2 14 ARG H . . 4.100 3.712 3.708 3.715 . 0 0 "[ . 1 . 2]" 1
268 2 13 ARG HA 2 14 ARG H . . 3.300 2.504 2.503 2.507 . 0 0 "[ . 1 . 2]" 1
269 2 14 ARG H 2 14 ARG QB . . 2.900 2.843 2.838 2.845 . 0 0 "[ . 1 . 2]" 1
270 2 14 ARG H 2 14 ARG QD . . 4.000 4.044 4.034 4.071 0.071 5 0 "[ . 1 . 2]" 1
271 2 14 ARG H 2 14 ARG QG . . 3.300 3.034 3.030 3.037 . 0 0 "[ . 1 . 2]" 1
272 2 14 ARG H 2 15 THR H . . 4.300 4.178 4.177 4.179 . 0 0 "[ . 1 . 2]" 1
273 2 14 ARG H 2 15 THR HA . . 5.100 5.186 5.185 5.187 0.087 3 0 "[ . 1 . 2]" 1
274 2 14 ARG H 2 16 GLY H . . 4.400 4.539 4.537 4.541 0.141 13 0 "[ . 1 . 2]" 1
275 2 14 ARG H 2 16 GLY QA . . 4.600 4.698 4.696 4.701 0.101 9 0 "[ . 1 . 2]" 1
276 2 14 ARG HA 2 15 THR H . . 3.600 2.927 2.926 2.928 . 0 0 "[ . 1 . 2]" 1
277 2 14 ARG HA 2 16 GLY H . . 4.600 4.973 4.971 4.976 0.376 13 0 "[ . 1 . 2]" 1
278 2 14 ARG QB 2 15 THR H . . 3.300 1.732 1.728 1.733 . 0 0 "[ . 1 . 2]" 1
279 2 14 ARG QB 2 16 GLY H . . 4.600 4.800 4.798 4.801 0.201 13 0 "[ . 1 . 2]" 1
280 2 14 ARG QB 2 17 LYS H . . 4.000 3.989 3.986 3.992 . 0 0 "[ . 1 . 2]" 1
281 2 15 THR H 2 15 THR MG . . 3.000 2.181 2.178 2.183 . 0 0 "[ . 1 . 2]" 1
282 2 15 THR H 2 16 GLY H . . 4.400 4.156 4.155 4.158 . 0 0 "[ . 1 . 2]" 1
283 2 15 THR H 2 17 LYS QB . . 3.800 4.029 4.026 4.034 0.234 7 0 "[ . 1 . 2]" 1
284 2 15 THR H 2 17 LYS QG . . 4.100 4.272 4.268 4.274 0.174 13 0 "[ . 1 . 2]" 1
285 2 15 THR HA 2 16 GLY H . . 3.100 2.263 2.262 2.264 . 0 0 "[ . 1 . 2]" 1
286 2 15 THR MG 2 16 GLY H . . 4.000 4.174 4.172 4.175 0.175 16 0 "[ . 1 . 2]" 1
287 2 15 THR MG 2 17 LYS H . . 3.900 4.078 4.076 4.080 0.180 9 0 "[ . 1 . 2]" 1
288 2 16 GLY H 2 17 LYS H . . 3.400 3.418 3.416 3.421 0.021 7 0 "[ . 1 . 2]" 1
289 2 16 GLY QA 2 17 LYS H . . 3.600 2.479 2.478 2.480 . 0 0 "[ . 1 . 2]" 1
290 2 17 LYS H 2 17 LYS QB . . 3.200 2.519 2.518 2.521 . 0 0 "[ . 1 . 2]" 1
291 2 17 LYS H 2 17 LYS QG . . 3.700 3.526 3.523 3.527 . 0 0 "[ . 1 . 2]" 1
292 2 17 LYS H 2 18 CYS H . . 4.500 4.430 4.427 4.432 . 0 0 "[ . 1 . 2]" 1
293 2 17 LYS QB 2 18 CYS H . . 3.400 2.786 2.773 2.801 . 0 0 "[ . 1 . 2]" 1
294 2 17 LYS QG 2 18 CYS H . . 3.800 3.753 3.715 3.762 . 0 0 "[ . 1 . 2]" 1
295 2 18 CYS H 2 18 CYS HA . . 3.000 2.907 2.907 2.908 . 0 0 "[ . 1 . 2]" 1
296 2 18 CYS H 2 18 CYS QB . . 3.100 2.720 2.718 2.722 . 0 0 "[ . 1 . 2]" 1
297 2 19 GLN H 2 19 GLN HA . . 2.800 2.888 2.886 2.892 0.092 7 0 "[ . 1 . 2]" 1
298 2 19 GLN H 2 19 GLN QB . . 3.400 3.305 3.297 3.309 . 0 0 "[ . 1 . 2]" 1
299 2 19 GLN H 2 19 GLN QG . . 3.500 2.643 2.623 2.651 . 0 0 "[ . 1 . 2]" 1
300 2 19 GLN HA 2 19 GLN QE . . 4.100 4.176 4.172 4.182 0.082 9 0 "[ . 1 . 2]" 1
301 2 19 GLN QB 2 19 GLN QE . . 3.900 3.443 3.439 3.448 . 0 0 "[ . 1 . 2]" 1
302 2 20 ARG H 2 20 ARG HA . . 2.900 2.929 2.927 2.933 0.033 2 0 "[ . 1 . 2]" 1
303 2 20 ARG H 2 20 ARG QB . . 3.000 2.638 2.312 2.844 . 0 0 "[ . 1 . 2]" 1
304 2 20 ARG H 2 20 ARG QD . . 3.100 2.797 2.146 3.103 0.003 8 0 "[ . 1 . 2]" 1
305 2 20 ARG H 2 20 ARG QG . . 3.200 2.425 1.962 3.195 . 0 0 "[ . 1 . 2]" 1
306 2 20 ARG H 2 21 PHE H . . 4.400 4.560 4.539 4.564 0.164 9 0 "[ . 1 . 2]" 1
307 2 20 ARG HA 2 21 PHE H . . 2.700 2.347 2.233 2.360 . 0 0 "[ . 1 . 2]" 1
308 2 21 PHE H 2 21 PHE QB . . 3.900 2.387 2.274 2.401 . 0 0 "[ . 1 . 2]" 1
309 2 21 PHE HA 2 21 PHE QD . . 3.200 2.454 2.304 2.821 . 0 0 "[ . 1 . 2]" 1
310 2 21 PHE HA 2 21 PHE QE . . 4.500 4.308 4.244 4.455 . 0 0 "[ . 1 . 2]" 1
311 2 21 PHE QB 2 21 PHE QD . . 2.900 2.202 2.153 2.225 . 0 0 "[ . 1 . 2]" 1
312 2 21 PHE QB 2 21 PHE QE . . 3.900 3.953 3.940 3.958 0.058 9 0 "[ . 1 . 2]" 1
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