NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
612792 |
5i4g   |
30013 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5i4g
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 313
_Distance_constraint_stats_list.Viol_count 56
_Distance_constraint_stats_list.Viol_total 1.597
_Distance_constraint_stats_list.Viol_max 0.013
_Distance_constraint_stats_list.Viol_rms 0.0002
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0014
_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 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 LYS 0.025 0.013 16 0 "[ . 1 . 2]"
1 3 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ARG 0.000 0.000 13 0 "[ . 1 . 2]"
1 5 GLN 0.000 0.000 13 0 "[ . 1 . 2]"
1 6 TRP 0.049 0.004 15 0 "[ . 1 . 2]"
1 7 GLN 0.012 0.003 15 0 "[ . 1 . 2]"
1 8 SER 0.005 0.001 15 0 "[ . 1 . 2]"
1 9 LYS 0.005 0.002 14 0 "[ . 1 . 2]"
1 10 ILE 0.030 0.004 15 0 "[ . 1 . 2]"
1 11 ARG 0.003 0.002 13 0 "[ . 1 . 2]"
1 12 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 THR 0.001 0.001 14 0 "[ . 1 . 2]"
1 14 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ALA 0.000 0.000 . 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 SER HA 1 2 LYS H . . 3.170 2.415 2.139 2.730 . 0 0 "[ . 1 . 2]" 1
2 1 1 SER HA 1 2 LYS QE . . 4.490 3.999 2.570 4.482 . 0 0 "[ . 1 . 2]" 1
3 1 1 SER QB 1 2 LYS H . . 4.240 2.938 2.023 4.028 . 0 0 "[ . 1 . 2]" 1
4 1 2 LYS H 1 2 LYS QB . . 3.770 2.626 2.176 3.372 . 0 0 "[ . 1 . 2]" 1
5 1 2 LYS H 1 2 LYS QE . . 3.830 3.280 2.057 3.832 0.002 1 0 "[ . 1 . 2]" 1
6 1 2 LYS H 1 2 LYS HG2 . . 4.500 3.895 1.951 4.513 0.013 16 0 "[ . 1 . 2]" 1
7 1 2 LYS H 1 2 LYS QG . . 3.920 3.152 1.941 3.750 . 0 0 "[ . 1 . 2]" 1
8 1 2 LYS H 1 2 LYS HG3 . . 4.500 3.617 2.463 4.347 . 0 0 "[ . 1 . 2]" 1
9 1 2 LYS H 1 3 CYS H . . 3.750 2.460 1.937 2.769 . 0 0 "[ . 1 . 2]" 1
10 1 2 LYS HA 1 2 LYS QD . . 4.120 3.150 1.992 4.119 . 0 0 "[ . 1 . 2]" 1
11 1 2 LYS HA 1 2 LYS QE . . 4.720 4.183 2.263 4.713 . 0 0 "[ . 1 . 2]" 1
12 1 2 LYS HA 1 2 LYS QG . . 3.680 2.500 2.171 3.440 . 0 0 "[ . 1 . 2]" 1
13 1 2 LYS HA 1 5 GLN H . . 4.550 3.723 3.359 4.387 . 0 0 "[ . 1 . 2]" 1
14 1 2 LYS HA 1 5 GLN HB2 . . 4.480 3.713 2.826 4.325 . 0 0 "[ . 1 . 2]" 1
15 1 2 LYS HA 1 5 GLN QB . . 3.860 2.890 2.668 3.006 . 0 0 "[ . 1 . 2]" 1
16 1 2 LYS HA 1 5 GLN HB3 . . 4.480 3.281 2.726 4.462 . 0 0 "[ . 1 . 2]" 1
17 1 2 LYS HA 1 5 GLN QG . . 4.570 4.347 3.847 4.564 . 0 0 "[ . 1 . 2]" 1
18 1 3 CYS H 1 3 CYS QB . . 3.160 2.388 2.241 2.569 . 0 0 "[ . 1 . 2]" 1
19 1 3 CYS H 1 5 GLN H . . 4.120 4.065 3.921 4.115 . 0 0 "[ . 1 . 2]" 1
20 1 3 CYS H 1 5 GLN QB . . 4.900 4.762 4.600 4.900 . 0 0 "[ . 1 . 2]" 1
21 1 3 CYS H 1 6 TRP QB . . 4.730 4.605 4.494 4.707 . 0 0 "[ . 1 . 2]" 1
22 1 3 CYS HA 1 6 TRP H . . 5.010 3.604 3.377 3.758 . 0 0 "[ . 1 . 2]" 1
23 1 3 CYS HA 1 6 TRP QB . . 3.590 2.637 2.377 2.829 . 0 0 "[ . 1 . 2]" 1
24 1 3 CYS HA 1 6 TRP HE3 . . 3.880 2.885 2.746 3.023 . 0 0 "[ . 1 . 2]" 1
25 1 3 CYS HA 1 6 TRP HZ3 . . 5.010 4.925 4.789 5.008 . 0 0 "[ . 1 . 2]" 1
26 1 3 CYS HA 1 7 GLN H . . 4.300 3.924 3.568 4.161 . 0 0 "[ . 1 . 2]" 1
27 1 3 CYS HA 1 7 GLN QG . . 5.040 3.838 3.539 4.044 . 0 0 "[ . 1 . 2]" 1
28 1 3 CYS QB 1 4 ARG H . . 3.810 2.230 1.980 2.462 . 0 0 "[ . 1 . 2]" 1
29 1 3 CYS QB 1 5 GLN H . . 4.690 4.620 4.505 4.681 . 0 0 "[ . 1 . 2]" 1
30 1 3 CYS QB 1 6 TRP HE3 . . 4.190 4.075 3.897 4.188 . 0 0 "[ . 1 . 2]" 1
31 1 4 ARG H 1 4 ARG QB . . 3.250 2.249 2.092 2.600 . 0 0 "[ . 1 . 2]" 1
32 1 4 ARG H 1 4 ARG QD . . 4.510 4.117 2.849 4.500 . 0 0 "[ . 1 . 2]" 1
33 1 4 ARG H 1 4 ARG HG2 . . 4.640 3.694 1.954 4.612 . 0 0 "[ . 1 . 2]" 1
34 1 4 ARG H 1 4 ARG HG3 . . 4.640 4.069 2.939 4.508 . 0 0 "[ . 1 . 2]" 1
35 1 4 ARG H 1 5 GLN H . . 4.050 2.835 2.710 2.924 . 0 0 "[ . 1 . 2]" 1
36 1 4 ARG HA 1 4 ARG QD . . 3.580 2.256 1.984 3.556 . 0 0 "[ . 1 . 2]" 1
37 1 4 ARG HA 1 4 ARG HE . . 4.110 3.546 2.337 4.101 . 0 0 "[ . 1 . 2]" 1
38 1 4 ARG HA 1 4 ARG HG2 . . 3.860 3.137 2.167 3.823 . 0 0 "[ . 1 . 2]" 1
39 1 4 ARG HA 1 4 ARG QG . . 3.220 2.723 2.141 3.073 . 0 0 "[ . 1 . 2]" 1
40 1 4 ARG HA 1 4 ARG HG3 . . 3.860 3.381 2.943 3.784 . 0 0 "[ . 1 . 2]" 1
41 1 4 ARG HA 1 7 GLN H . . 3.970 3.714 3.555 3.956 . 0 0 "[ . 1 . 2]" 1
42 1 4 ARG HA 1 7 GLN QB . . 3.780 2.929 2.725 3.106 . 0 0 "[ . 1 . 2]" 1
43 1 4 ARG HA 1 7 GLN HG2 . . 4.400 4.195 3.913 4.387 . 0 0 "[ . 1 . 2]" 1
44 1 4 ARG HA 1 7 GLN QG . . 3.860 3.219 2.574 3.756 . 0 0 "[ . 1 . 2]" 1
45 1 4 ARG HA 1 7 GLN HG3 . . 4.400 3.397 2.594 4.174 . 0 0 "[ . 1 . 2]" 1
46 1 4 ARG QB 1 4 ARG QD . . 3.330 2.429 1.967 2.825 . 0 0 "[ . 1 . 2]" 1
47 1 4 ARG QB 1 4 ARG HE . . 4.090 3.434 2.035 4.085 . 0 0 "[ . 1 . 2]" 1
48 1 4 ARG QB 1 5 GLN H . . 3.810 2.461 2.295 2.645 . 0 0 "[ . 1 . 2]" 1
49 1 4 ARG QD 1 5 GLN H . . 4.740 4.609 3.732 4.740 0.000 13 0 "[ . 1 . 2]" 1
50 1 5 GLN H 1 5 GLN HB2 . . 3.960 2.446 2.198 2.702 . 0 0 "[ . 1 . 2]" 1
51 1 5 GLN H 1 5 GLN HB3 . . 3.960 2.764 2.375 3.543 . 0 0 "[ . 1 . 2]" 1
52 1 5 GLN H 1 5 GLN QG . . 4.320 3.762 2.610 4.057 . 0 0 "[ . 1 . 2]" 1
53 1 5 GLN HA 1 5 GLN QE . . 4.830 3.555 2.155 4.462 . 0 0 "[ . 1 . 2]" 1
54 1 5 GLN HA 1 5 GLN QG . . 3.350 2.734 2.252 3.131 . 0 0 "[ . 1 . 2]" 1
55 1 5 GLN HA 1 7 GLN H . . 4.850 4.777 4.659 4.850 . 0 0 "[ . 1 . 2]" 1
56 1 5 GLN QB 1 6 TRP QB . . 4.340 3.962 3.823 4.064 . 0 0 "[ . 1 . 2]" 1
57 1 5 GLN HB2 1 6 TRP H . . 4.400 3.636 2.676 4.004 . 0 0 "[ . 1 . 2]" 1
58 1 5 GLN HB3 1 6 TRP H . . 4.400 2.764 2.543 3.509 . 0 0 "[ . 1 . 2]" 1
59 1 5 GLN QG 1 6 TRP H . . 4.860 3.836 3.440 4.451 . 0 0 "[ . 1 . 2]" 1
60 1 6 TRP H 1 6 TRP QB . . 3.160 2.240 2.239 2.243 . 0 0 "[ . 1 . 2]" 1
61 1 6 TRP H 1 6 TRP HD1 . . 5.140 4.945 4.929 4.954 . 0 0 "[ . 1 . 2]" 1
62 1 6 TRP H 1 6 TRP HE3 . . 4.730 4.684 4.670 4.711 . 0 0 "[ . 1 . 2]" 1
63 1 6 TRP H 1 7 GLN H . . 3.880 2.771 2.724 2.820 . 0 0 "[ . 1 . 2]" 1
64 1 6 TRP HA 1 6 TRP HD1 . . 3.270 2.543 2.538 2.547 . 0 0 "[ . 1 . 2]" 1
65 1 6 TRP HA 1 8 SER H . . 4.580 4.575 4.552 4.581 0.001 15 0 "[ . 1 . 2]" 1
66 1 6 TRP HA 1 9 LYS H . . 4.130 3.421 3.394 3.468 . 0 0 "[ . 1 . 2]" 1
67 1 6 TRP HA 1 9 LYS QB . . 3.810 2.365 2.192 2.527 . 0 0 "[ . 1 . 2]" 1
68 1 6 TRP HA 1 9 LYS QD . . 4.330 3.439 2.427 3.947 . 0 0 "[ . 1 . 2]" 1
69 1 6 TRP HA 1 10 ILE H . . 4.370 4.140 4.071 4.254 . 0 0 "[ . 1 . 2]" 1
70 1 6 TRP HA 1 10 ILE MD . . 3.880 3.704 3.679 3.759 . 0 0 "[ . 1 . 2]" 1
71 1 6 TRP QB 1 6 TRP HD1 . . 3.040 2.946 2.942 2.950 . 0 0 "[ . 1 . 2]" 1
72 1 6 TRP QB 1 6 TRP HE1 . . 4.590 4.528 4.527 4.529 . 0 0 "[ . 1 . 2]" 1
73 1 6 TRP QB 1 6 TRP HE3 . . 3.270 2.382 2.381 2.383 . 0 0 "[ . 1 . 2]" 1
74 1 6 TRP QB 1 6 TRP HZ3 . . 4.860 4.634 4.633 4.635 . 0 0 "[ . 1 . 2]" 1
75 1 6 TRP QB 1 7 GLN H . . 3.470 2.380 2.335 2.425 . 0 0 "[ . 1 . 2]" 1
76 1 6 TRP QB 1 7 GLN QB . . 5.340 4.438 4.332 4.560 . 0 0 "[ . 1 . 2]" 1
77 1 6 TRP QB 1 7 GLN QG . . 3.640 3.388 3.219 3.559 . 0 0 "[ . 1 . 2]" 1
78 1 6 TRP QB 1 9 LYS H . . 4.960 4.902 4.841 4.953 . 0 0 "[ . 1 . 2]" 1
79 1 6 TRP QB 1 9 LYS QB . . 4.250 4.179 4.123 4.252 0.002 14 0 "[ . 1 . 2]" 1
80 1 6 TRP QB 1 10 ILE MD . . 4.460 3.501 3.489 3.541 . 0 0 "[ . 1 . 2]" 1
81 1 6 TRP HD1 1 7 GLN H . . 5.140 5.043 5.007 5.078 . 0 0 "[ . 1 . 2]" 1
82 1 6 TRP HD1 1 7 GLN HA . . 5.370 5.335 5.298 5.370 0.000 11 0 "[ . 1 . 2]" 1
83 1 6 TRP HD1 1 9 LYS QB . . 4.550 3.305 3.211 3.457 . 0 0 "[ . 1 . 2]" 1
84 1 6 TRP HD1 1 9 LYS QD . . 5.340 4.116 3.418 4.937 . 0 0 "[ . 1 . 2]" 1
85 1 6 TRP HD1 1 10 ILE MD . . 3.970 3.082 3.053 3.193 . 0 0 "[ . 1 . 2]" 1
86 1 6 TRP HD1 1 10 ILE HG12 . . 5.020 4.101 4.067 4.117 . 0 0 "[ . 1 . 2]" 1
87 1 6 TRP HD1 1 10 ILE HG13 . . 4.080 3.172 3.158 3.191 . 0 0 "[ . 1 . 2]" 1
88 1 6 TRP HD1 1 10 ILE MG . . 5.500 5.501 5.500 5.504 0.004 15 0 "[ . 1 . 2]" 1
89 1 6 TRP HE1 1 10 ILE MD . . 4.140 2.807 2.739 2.888 . 0 0 "[ . 1 . 2]" 1
90 1 6 TRP HE1 1 10 ILE MG . . 4.860 4.526 4.502 4.609 . 0 0 "[ . 1 . 2]" 1
91 1 6 TRP HE3 1 7 GLN H . . 3.820 3.598 3.535 3.661 . 0 0 "[ . 1 . 2]" 1
92 1 6 TRP HE3 1 7 GLN HA . . 4.500 4.455 4.448 4.462 . 0 0 "[ . 1 . 2]" 1
93 1 6 TRP HE3 1 7 GLN QG . . 3.590 2.933 2.802 3.025 . 0 0 "[ . 1 . 2]" 1
94 1 6 TRP HE3 1 10 ILE MD . . 4.120 3.811 3.747 3.858 . 0 0 "[ . 1 . 2]" 1
95 1 6 TRP HH2 1 10 ILE MD . . 4.660 3.985 3.916 4.008 . 0 0 "[ . 1 . 2]" 1
96 1 6 TRP HZ2 1 10 ILE MD . . 4.240 3.028 2.968 3.052 . 0 0 "[ . 1 . 2]" 1
97 1 6 TRP HZ2 1 10 ILE MG . . 5.030 4.945 4.859 5.025 . 0 0 "[ . 1 . 2]" 1
98 1 6 TRP HZ3 1 7 GLN HA . . 5.500 5.500 5.495 5.503 0.003 15 0 "[ . 1 . 2]" 1
99 1 6 TRP HZ3 1 10 ILE MD . . 4.400 4.357 4.275 4.399 . 0 0 "[ . 1 . 2]" 1
100 1 7 GLN H 1 7 GLN HB2 . . 3.910 2.488 2.345 2.654 . 0 0 "[ . 1 . 2]" 1
101 1 7 GLN H 1 7 GLN QB . . 3.420 2.443 2.315 2.588 . 0 0 "[ . 1 . 2]" 1
102 1 7 GLN H 1 7 GLN HB3 . . 3.910 3.584 3.566 3.591 . 0 0 "[ . 1 . 2]" 1
103 1 7 GLN H 1 7 GLN QE . . 5.340 4.458 3.526 5.054 . 0 0 "[ . 1 . 2]" 1
104 1 7 GLN H 1 7 GLN HG2 . . 4.040 2.363 2.109 2.635 . 0 0 "[ . 1 . 2]" 1
105 1 7 GLN H 1 7 GLN QG . . 3.510 2.255 2.087 2.454 . 0 0 "[ . 1 . 2]" 1
106 1 7 GLN H 1 7 GLN HG3 . . 4.040 3.226 2.379 3.709 . 0 0 "[ . 1 . 2]" 1
107 1 7 GLN H 1 8 SER H . . 3.810 2.879 2.869 2.888 . 0 0 "[ . 1 . 2]" 1
108 1 7 GLN H 1 8 SER QB . . 5.340 4.818 4.617 5.190 . 0 0 "[ . 1 . 2]" 1
109 1 7 GLN H 1 10 ILE MD . . 3.900 3.503 3.458 3.537 . 0 0 "[ . 1 . 2]" 1
110 1 7 GLN HA 1 7 GLN QE . . 4.670 3.580 2.240 4.518 . 0 0 "[ . 1 . 2]" 1
111 1 7 GLN HA 1 7 GLN HG2 . . 3.960 2.679 2.434 2.934 . 0 0 "[ . 1 . 2]" 1
112 1 7 GLN HA 1 7 GLN QG . . 3.430 2.617 2.393 2.825 . 0 0 "[ . 1 . 2]" 1
113 1 7 GLN HA 1 7 GLN HG3 . . 3.960 3.690 3.528 3.782 . 0 0 "[ . 1 . 2]" 1
114 1 7 GLN HA 1 10 ILE H . . 3.990 3.724 3.679 3.766 . 0 0 "[ . 1 . 2]" 1
115 1 7 GLN HA 1 10 ILE HB . . 3.680 3.370 3.319 3.406 . 0 0 "[ . 1 . 2]" 1
116 1 7 GLN HA 1 10 ILE MD . . 3.690 1.923 1.895 2.018 . 0 0 "[ . 1 . 2]" 1
117 1 7 GLN HA 1 10 ILE HG12 . . 4.860 4.702 4.621 4.737 . 0 0 "[ . 1 . 2]" 1
118 1 7 GLN HA 1 10 ILE HG13 . . 4.620 4.017 3.901 4.045 . 0 0 "[ . 1 . 2]" 1
119 1 7 GLN HA 1 11 ARG H . . 4.660 4.580 4.544 4.656 . 0 0 "[ . 1 . 2]" 1
120 1 7 GLN QB 1 8 SER H . . 3.740 2.418 2.361 2.472 . 0 0 "[ . 1 . 2]" 1
121 1 7 GLN QB 1 8 SER HA . . 5.340 3.847 3.826 3.859 . 0 0 "[ . 1 . 2]" 1
122 1 7 GLN QB 1 10 ILE MD . . 4.560 3.705 3.646 3.802 . 0 0 "[ . 1 . 2]" 1
123 1 7 GLN HB2 1 8 SER H . . 4.320 2.474 2.398 2.553 . 0 0 "[ . 1 . 2]" 1
124 1 7 GLN HB3 1 8 SER H . . 4.320 3.426 3.264 3.587 . 0 0 "[ . 1 . 2]" 1
125 1 7 GLN QE 1 7 GLN QG . . 3.040 2.185 2.069 2.471 . 0 0 "[ . 1 . 2]" 1
126 1 7 GLN QG 1 8 SER H . . 4.270 4.022 3.829 4.174 . 0 0 "[ . 1 . 2]" 1
127 1 7 GLN QG 1 10 ILE MD . . 4.000 3.554 3.353 3.725 . 0 0 "[ . 1 . 2]" 1
128 1 7 GLN HG2 1 8 SER H . . 4.940 4.469 4.305 4.616 . 0 0 "[ . 1 . 2]" 1
129 1 7 GLN HG3 1 8 SER H . . 4.940 4.609 4.131 4.883 . 0 0 "[ . 1 . 2]" 1
130 1 8 SER H 1 8 SER HB2 . . 3.810 2.683 2.217 3.597 . 0 0 "[ . 1 . 2]" 1
131 1 8 SER H 1 8 SER HB3 . . 3.810 2.996 2.261 3.599 . 0 0 "[ . 1 . 2]" 1
132 1 8 SER H 1 9 LYS H . . 3.820 2.590 2.560 2.632 . 0 0 "[ . 1 . 2]" 1
133 1 8 SER H 1 9 LYS QB . . 4.480 4.322 4.297 4.356 . 0 0 "[ . 1 . 2]" 1
134 1 8 SER H 1 10 ILE HB . . 5.500 5.405 5.346 5.448 . 0 0 "[ . 1 . 2]" 1
135 1 8 SER H 1 11 ARG QB . . 5.500 5.288 5.100 5.501 0.001 9 0 "[ . 1 . 2]" 1
136 1 8 SER HA 1 11 ARG H . . 4.200 3.503 3.330 3.592 . 0 0 "[ . 1 . 2]" 1
137 1 8 SER HA 1 11 ARG QB . . 3.450 2.894 2.634 3.002 . 0 0 "[ . 1 . 2]" 1
138 1 8 SER HA 1 11 ARG QD . . 4.000 3.160 2.338 4.000 0.000 13 0 "[ . 1 . 2]" 1
139 1 8 SER HA 1 11 ARG HE . . 5.370 4.955 2.458 5.370 . 0 0 "[ . 1 . 2]" 1
140 1 8 SER QB 1 9 LYS H . . 3.760 2.784 2.553 3.438 . 0 0 "[ . 1 . 2]" 1
141 1 9 LYS H 1 9 LYS QB . . 3.230 2.200 2.122 2.238 . 0 0 "[ . 1 . 2]" 1
142 1 9 LYS H 1 9 LYS QD . . 4.260 4.194 3.466 4.261 0.001 5 0 "[ . 1 . 2]" 1
143 1 9 LYS H 1 9 LYS QG . . 4.290 3.716 2.874 4.025 . 0 0 "[ . 1 . 2]" 1
144 1 9 LYS H 1 10 ILE H . . 3.810 2.700 2.648 2.746 . 0 0 "[ . 1 . 2]" 1
145 1 9 LYS H 1 10 ILE HA . . 5.500 5.300 5.257 5.335 . 0 0 "[ . 1 . 2]" 1
146 1 9 LYS H 1 10 ILE MD . . 4.670 4.377 4.280 4.494 . 0 0 "[ . 1 . 2]" 1
147 1 9 LYS HA 1 9 LYS QD . . 3.920 3.738 3.593 3.918 . 0 0 "[ . 1 . 2]" 1
148 1 9 LYS HA 1 9 LYS QG . . 3.990 2.275 2.132 2.479 . 0 0 "[ . 1 . 2]" 1
149 1 9 LYS HA 1 12 ARG H . . 4.090 3.641 3.528 3.737 . 0 0 "[ . 1 . 2]" 1
150 1 9 LYS HA 1 12 ARG QD . . 4.880 4.297 3.366 4.873 . 0 0 "[ . 1 . 2]" 1
151 1 9 LYS HA 1 12 ARG HE . . 4.550 2.964 2.266 4.515 . 0 0 "[ . 1 . 2]" 1
152 1 9 LYS HA 1 13 THR H . . 4.680 4.260 4.091 4.476 . 0 0 "[ . 1 . 2]" 1
153 1 9 LYS QB 1 9 LYS QD . . 3.400 2.046 1.980 2.226 . 0 0 "[ . 1 . 2]" 1
154 1 9 LYS QB 1 10 ILE H . . 3.760 2.684 2.555 2.800 . 0 0 "[ . 1 . 2]" 1
155 1 10 ILE H 1 10 ILE HB . . 3.510 2.531 2.504 2.555 . 0 0 "[ . 1 . 2]" 1
156 1 10 ILE H 1 10 ILE MD . . 4.050 2.946 2.906 3.028 . 0 0 "[ . 1 . 2]" 1
157 1 10 ILE H 1 10 ILE HG12 . . 3.830 3.744 3.696 3.810 . 0 0 "[ . 1 . 2]" 1
158 1 10 ILE H 1 10 ILE HG13 . . 3.970 2.257 2.191 2.343 . 0 0 "[ . 1 . 2]" 1
159 1 10 ILE H 1 10 ILE MG . . 3.900 3.764 3.763 3.767 . 0 0 "[ . 1 . 2]" 1
160 1 10 ILE H 1 11 ARG H . . 4.300 2.739 2.592 2.829 . 0 0 "[ . 1 . 2]" 1
161 1 10 ILE HA 1 10 ILE MD . . 3.980 3.849 3.844 3.859 . 0 0 "[ . 1 . 2]" 1
162 1 10 ILE HA 1 10 ILE HG12 . . 3.970 2.964 2.918 2.986 . 0 0 "[ . 1 . 2]" 1
163 1 10 ILE HA 1 10 ILE HG13 . . 3.970 2.571 2.557 2.600 . 0 0 "[ . 1 . 2]" 1
164 1 10 ILE HA 1 10 ILE MG . . 3.170 2.341 2.302 2.386 . 0 0 "[ . 1 . 2]" 1
165 1 10 ILE HA 1 12 ARG H . . 5.120 4.013 3.879 4.142 . 0 0 "[ . 1 . 2]" 1
166 1 10 ILE HA 1 13 THR H . . 4.590 3.164 3.090 3.243 . 0 0 "[ . 1 . 2]" 1
167 1 10 ILE HA 1 13 THR HB . . 4.070 2.676 2.319 4.071 0.001 14 0 "[ . 1 . 2]" 1
168 1 10 ILE HA 1 14 ASN H . . 4.980 4.059 3.985 4.152 . 0 0 "[ . 1 . 2]" 1
169 1 10 ILE HB 1 10 ILE MD . . 3.650 2.035 2.027 2.055 . 0 0 "[ . 1 . 2]" 1
170 1 10 ILE HB 1 11 ARG H . . 3.570 2.347 2.280 2.440 . 0 0 "[ . 1 . 2]" 1
171 1 10 ILE MD 1 10 ILE MG . . 3.230 2.645 2.592 2.670 . 0 0 "[ . 1 . 2]" 1
172 1 10 ILE MD 1 11 ARG H . . 4.000 3.900 3.853 3.988 . 0 0 "[ . 1 . 2]" 1
173 1 10 ILE HG13 1 11 ARG H . . 4.330 4.296 4.272 4.304 . 0 0 "[ . 1 . 2]" 1
174 1 10 ILE MG 1 11 ARG H . . 3.980 3.278 3.208 3.364 . 0 0 "[ . 1 . 2]" 1
175 1 10 ILE MG 1 11 ARG HA . . 4.020 3.494 3.320 3.548 . 0 0 "[ . 1 . 2]" 1
176 1 10 ILE MG 1 13 THR H . . 4.640 4.252 4.135 4.394 . 0 0 "[ . 1 . 2]" 1
177 1 10 ILE MG 1 14 ASN H . . 4.020 3.785 3.665 3.880 . 0 0 "[ . 1 . 2]" 1
178 1 10 ILE MG 1 14 ASN HA . . 4.510 4.391 4.260 4.510 . 0 0 "[ . 1 . 2]" 1
179 1 10 ILE MG 1 14 ASN HB2 . . 4.610 4.198 4.055 4.314 . 0 0 "[ . 1 . 2]" 1
180 1 10 ILE MG 1 14 ASN HB3 . . 5.280 5.204 5.055 5.275 . 0 0 "[ . 1 . 2]" 1
181 1 10 ILE MG 1 14 ASN HD21 . . 3.670 2.386 2.302 2.583 . 0 0 "[ . 1 . 2]" 1
182 1 11 ARG H 1 11 ARG QB . . 3.820 2.268 2.058 2.525 . 0 0 "[ . 1 . 2]" 1
183 1 11 ARG H 1 11 ARG QD . . 4.490 3.661 2.313 4.360 . 0 0 "[ . 1 . 2]" 1
184 1 11 ARG H 1 11 ARG QG . . 4.100 2.927 2.109 3.891 . 0 0 "[ . 1 . 2]" 1
185 1 11 ARG H 1 12 ARG H . . 4.190 2.748 2.675 2.778 . 0 0 "[ . 1 . 2]" 1
186 1 11 ARG HA 1 11 ARG HE . . 4.440 4.168 2.618 4.442 0.002 13 0 "[ . 1 . 2]" 1
187 1 11 ARG HA 1 11 ARG QG . . 3.560 2.295 2.135 2.484 . 0 0 "[ . 1 . 2]" 1
188 1 11 ARG HA 1 13 THR H . . 5.120 4.442 4.378 4.565 . 0 0 "[ . 1 . 2]" 1
189 1 11 ARG HA 1 14 ASN H . . 4.740 3.654 3.606 3.720 . 0 0 "[ . 1 . 2]" 1
190 1 11 ARG HA 1 14 ASN HB2 . . 3.730 2.884 2.698 3.056 . 0 0 "[ . 1 . 2]" 1
191 1 11 ARG HA 1 15 PRO QD . . 4.150 3.844 3.649 4.024 . 0 0 "[ . 1 . 2]" 1
192 1 11 ARG QB 1 11 ARG QD . . 3.160 2.201 1.964 2.558 . 0 0 "[ . 1 . 2]" 1
193 1 11 ARG QB 1 11 ARG HE . . 3.840 2.614 1.947 3.840 0.000 9 0 "[ . 1 . 2]" 1
194 1 11 ARG QD 1 12 ARG H . . 5.500 5.009 4.569 5.333 . 0 0 "[ . 1 . 2]" 1
195 1 12 ARG H 1 12 ARG HB2 . . 3.870 2.230 2.138 2.403 . 0 0 "[ . 1 . 2]" 1
196 1 12 ARG H 1 12 ARG QB . . 3.340 2.192 2.115 2.357 . 0 0 "[ . 1 . 2]" 1
197 1 12 ARG H 1 12 ARG HB3 . . 3.870 3.345 2.791 3.599 . 0 0 "[ . 1 . 2]" 1
198 1 12 ARG H 1 12 ARG QD . . 4.760 3.883 2.631 4.694 . 0 0 "[ . 1 . 2]" 1
199 1 12 ARG H 1 12 ARG HE . . 4.520 4.097 3.298 4.520 . 0 0 "[ . 1 . 2]" 1
200 1 12 ARG H 1 12 ARG QG . . 4.310 3.403 2.544 4.011 . 0 0 "[ . 1 . 2]" 1
201 1 12 ARG H 1 14 ASN HB2 . . 5.500 4.708 4.529 4.815 . 0 0 "[ . 1 . 2]" 1
202 1 12 ARG HA 1 12 ARG QD . . 3.930 3.554 2.829 3.906 . 0 0 "[ . 1 . 2]" 1
203 1 12 ARG HA 1 12 ARG HE . . 4.790 4.655 3.896 4.785 . 0 0 "[ . 1 . 2]" 1
204 1 12 ARG HA 1 12 ARG QG . . 3.400 2.170 2.062 2.336 . 0 0 "[ . 1 . 2]" 1
205 1 12 ARG QB 1 12 ARG QD . . 3.200 2.335 2.223 2.483 . 0 0 "[ . 1 . 2]" 1
206 1 12 ARG QB 1 12 ARG HE . . 3.740 2.219 1.964 2.602 . 0 0 "[ . 1 . 2]" 1
207 1 12 ARG QB 1 13 THR H . . 4.160 2.776 2.653 2.891 . 0 0 "[ . 1 . 2]" 1
208 1 12 ARG HB2 1 12 ARG QD . . 3.760 2.644 2.354 3.161 . 0 0 "[ . 1 . 2]" 1
209 1 12 ARG HB2 1 12 ARG HE . . 4.530 2.347 2.000 2.672 . 0 0 "[ . 1 . 2]" 1
210 1 12 ARG HB2 1 13 THR H . . 4.900 3.110 2.796 3.670 . 0 0 "[ . 1 . 2]" 1
211 1 12 ARG HB3 1 12 ARG QD . . 3.760 2.997 2.286 3.475 . 0 0 "[ . 1 . 2]" 1
212 1 12 ARG HB3 1 12 ARG HE . . 4.530 3.040 2.182 3.957 . 0 0 "[ . 1 . 2]" 1
213 1 12 ARG HB3 1 13 THR H . . 4.900 3.302 2.722 3.721 . 0 0 "[ . 1 . 2]" 1
214 1 12 ARG QG 1 13 THR H . . 4.840 4.396 4.124 4.622 . 0 0 "[ . 1 . 2]" 1
215 1 13 THR H 1 13 THR HB . . 3.640 2.619 2.503 3.475 . 0 0 "[ . 1 . 2]" 1
216 1 13 THR H 1 14 ASN H . . 3.820 2.475 2.474 2.477 . 0 0 "[ . 1 . 2]" 1
217 1 13 THR H 1 14 ASN HA . . 5.040 5.029 5.027 5.030 . 0 0 "[ . 1 . 2]" 1
218 1 13 THR H 1 14 ASN HB2 . . 5.020 4.323 4.296 4.333 . 0 0 "[ . 1 . 2]" 1
219 1 13 THR HA 1 14 ASN H . . 3.520 3.462 3.460 3.464 . 0 0 "[ . 1 . 2]" 1
220 1 13 THR HA 1 14 ASN HA . . 5.380 4.890 4.888 4.893 . 0 0 "[ . 1 . 2]" 1
221 1 13 THR HA 1 16 ILE HG13 . . 4.240 3.857 3.846 3.868 . 0 0 "[ . 1 . 2]" 1
222 1 13 THR HB 1 14 ASN H . . 3.960 3.052 2.994 3.570 . 0 0 "[ . 1 . 2]" 1
223 1 13 THR HB 1 14 ASN HA . . 4.270 4.230 4.080 4.267 . 0 0 "[ . 1 . 2]" 1
224 1 13 THR HB 1 14 ASN HD21 . . 4.180 3.600 3.483 4.144 . 0 0 "[ . 1 . 2]" 1
225 1 14 ASN H 1 14 ASN HB2 . . 3.720 2.139 2.111 2.150 . 0 0 "[ . 1 . 2]" 1
226 1 14 ASN H 1 14 ASN HB3 . . 3.650 3.453 3.418 3.463 . 0 0 "[ . 1 . 2]" 1
227 1 14 ASN H 1 14 ASN HD21 . . 4.050 2.484 2.431 2.625 . 0 0 "[ . 1 . 2]" 1
228 1 14 ASN H 1 14 ASN HD22 . . 4.680 4.126 4.076 4.260 . 0 0 "[ . 1 . 2]" 1
229 1 14 ASN H 1 15 PRO QG . . 4.120 4.084 4.078 4.086 . 0 0 "[ . 1 . 2]" 1
230 1 14 ASN H 1 17 PHE HB3 . . 5.270 5.063 5.042 5.092 . 0 0 "[ . 1 . 2]" 1
231 1 14 ASN HA 1 14 ASN HD21 . . 4.550 2.302 2.256 2.322 . 0 0 "[ . 1 . 2]" 1
232 1 14 ASN HA 1 14 ASN HD22 . . 4.300 3.371 3.343 3.385 . 0 0 "[ . 1 . 2]" 1
233 1 14 ASN HA 1 16 ILE H . . 5.010 4.965 4.955 4.989 . 0 0 "[ . 1 . 2]" 1
234 1 14 ASN HA 1 17 PHE HB2 . . 4.910 4.796 4.763 4.813 . 0 0 "[ . 1 . 2]" 1
235 1 14 ASN HA 1 17 PHE HB3 . . 4.030 3.436 3.423 3.459 . 0 0 "[ . 1 . 2]" 1
236 1 14 ASN HB2 1 14 ASN HD21 . . 3.480 2.738 2.721 2.743 . 0 0 "[ . 1 . 2]" 1
237 1 14 ASN HB2 1 14 ASN HD22 . . 3.910 3.694 3.686 3.696 . 0 0 "[ . 1 . 2]" 1
238 1 14 ASN HB2 1 15 PRO HA . . 5.240 4.985 4.960 5.054 . 0 0 "[ . 1 . 2]" 1
239 1 14 ASN HB2 1 15 PRO QG . . 5.090 3.939 3.917 4.003 . 0 0 "[ . 1 . 2]" 1
240 1 14 ASN HB2 1 16 ILE H . . 5.500 5.008 4.990 5.071 . 0 0 "[ . 1 . 2]" 1
241 1 14 ASN HB3 1 15 PRO HA . . 4.930 3.935 3.909 3.946 . 0 0 "[ . 1 . 2]" 1
242 1 14 ASN HB3 1 15 PRO QG . . 4.900 4.198 4.129 4.223 . 0 0 "[ . 1 . 2]" 1
243 1 14 ASN HB3 1 16 ILE H . . 5.390 5.171 5.130 5.189 . 0 0 "[ . 1 . 2]" 1
244 1 14 ASN HB3 1 17 PHE H . . 5.500 5.406 5.394 5.411 . 0 0 "[ . 1 . 2]" 1
245 1 14 ASN HD21 1 17 PHE HB3 . . 5.310 5.289 5.255 5.307 . 0 0 "[ . 1 . 2]" 1
246 1 15 PRO HA 1 16 ILE HA . . 4.900 4.822 4.820 4.828 . 0 0 "[ . 1 . 2]" 1
247 1 15 PRO HA 1 18 CYS HB2 . . 3.960 2.077 1.999 2.108 . 0 0 "[ . 1 . 2]" 1
248 1 15 PRO HA 1 18 CYS HB3 . . 3.650 3.510 3.435 3.545 . 0 0 "[ . 1 . 2]" 1
249 1 15 PRO HA 1 19 ILE H . . 5.050 3.570 3.001 4.118 . 0 0 "[ . 1 . 2]" 1
250 1 15 PRO HA 1 19 ILE MD . . 4.780 4.233 3.923 4.709 . 0 0 "[ . 1 . 2]" 1
251 1 15 PRO HA 1 19 ILE MG . . 5.140 4.451 4.206 4.953 . 0 0 "[ . 1 . 2]" 1
252 1 15 PRO HB2 1 16 ILE HA . . 4.180 3.947 3.940 3.950 . 0 0 "[ . 1 . 2]" 1
253 1 15 PRO HB2 1 16 ILE HG12 . . 5.050 4.780 4.777 4.784 . 0 0 "[ . 1 . 2]" 1
254 1 15 PRO HB2 1 16 ILE HG13 . . 4.610 3.723 3.721 3.726 . 0 0 "[ . 1 . 2]" 1
255 1 15 PRO HB2 1 18 CYS HB2 . . 4.750 4.665 4.536 4.709 . 0 0 "[ . 1 . 2]" 1
256 1 15 PRO HB2 1 19 ILE MD . . 4.770 3.707 3.449 4.331 . 0 0 "[ . 1 . 2]" 1
257 1 15 PRO QG 1 16 ILE H . . 4.020 1.963 1.946 1.969 . 0 0 "[ . 1 . 2]" 1
258 1 15 PRO QG 1 16 ILE HG13 . . 4.240 2.398 2.393 2.400 . 0 0 "[ . 1 . 2]" 1
259 1 16 ILE H 1 16 ILE HB . . 3.910 2.559 2.557 2.566 . 0 0 "[ . 1 . 2]" 1
260 1 16 ILE H 1 16 ILE MD . . 3.760 3.396 3.382 3.407 . 0 0 "[ . 1 . 2]" 1
261 1 16 ILE H 1 16 ILE HG12 . . 3.700 3.442 3.434 3.444 . 0 0 "[ . 1 . 2]" 1
262 1 16 ILE H 1 16 ILE HG13 . . 4.060 2.033 2.024 2.037 . 0 0 "[ . 1 . 2]" 1
263 1 16 ILE H 1 16 ILE MG . . 3.890 3.764 3.763 3.765 . 0 0 "[ . 1 . 2]" 1
264 1 16 ILE H 1 17 PHE H . . 3.900 2.708 2.704 2.722 . 0 0 "[ . 1 . 2]" 1
265 1 16 ILE H 1 17 PHE HB3 . . 5.000 4.964 4.937 4.995 . 0 0 "[ . 1 . 2]" 1
266 1 16 ILE HA 1 16 ILE MD . . 3.900 3.865 3.864 3.866 . 0 0 "[ . 1 . 2]" 1
267 1 16 ILE HA 1 16 ILE HG12 . . 3.820 2.630 2.628 2.632 . 0 0 "[ . 1 . 2]" 1
268 1 16 ILE HA 1 16 ILE HG13 . . 3.850 2.864 2.863 2.865 . 0 0 "[ . 1 . 2]" 1
269 1 16 ILE HA 1 16 ILE MG . . 3.040 2.346 2.319 2.392 . 0 0 "[ . 1 . 2]" 1
270 1 16 ILE HA 1 18 CYS H . . 4.550 4.425 4.418 4.443 . 0 0 "[ . 1 . 2]" 1
271 1 16 ILE HB 1 17 PHE H . . 3.640 2.999 2.968 3.010 . 0 0 "[ . 1 . 2]" 1
272 1 16 ILE HB 1 17 PHE HA . . 4.580 4.512 4.502 4.515 . 0 0 "[ . 1 . 2]" 1
273 1 16 ILE HB 1 17 PHE HB2 . . 4.300 4.174 4.150 4.196 . 0 0 "[ . 1 . 2]" 1
274 1 16 ILE HB 1 17 PHE HB3 . . 4.830 4.781 4.763 4.816 . 0 0 "[ . 1 . 2]" 1
275 1 16 ILE MD 1 16 ILE MG . . 3.900 2.108 2.013 2.199 . 0 0 "[ . 1 . 2]" 1
276 1 16 ILE MD 1 17 PHE H . . 4.750 4.734 4.715 4.742 . 0 0 "[ . 1 . 2]" 1
277 1 16 ILE HG12 1 16 ILE MG . . 3.640 2.338 2.299 2.348 . 0 0 "[ . 1 . 2]" 1
278 1 16 ILE HG12 1 17 PHE H . . 5.220 5.178 5.168 5.182 . 0 0 "[ . 1 . 2]" 1
279 1 16 ILE HG13 1 17 PHE H . . 5.500 4.349 4.340 4.351 . 0 0 "[ . 1 . 2]" 1
280 1 16 ILE MG 1 17 PHE H . . 3.890 3.711 3.690 3.740 . 0 0 "[ . 1 . 2]" 1
281 1 16 ILE MG 1 17 PHE HA . . 4.220 3.658 3.593 3.742 . 0 0 "[ . 1 . 2]" 1
282 1 16 ILE MG 1 17 PHE HB2 . . 4.180 4.094 4.085 4.131 . 0 0 "[ . 1 . 2]" 1
283 1 16 ILE MG 1 18 CYS H . . 5.360 5.121 5.106 5.133 . 0 0 "[ . 1 . 2]" 1
284 1 17 PHE H 1 17 PHE HB2 . . 3.490 2.907 2.880 2.930 . 0 0 "[ . 1 . 2]" 1
285 1 17 PHE H 1 17 PHE HB3 . . 3.540 2.472 2.456 2.493 . 0 0 "[ . 1 . 2]" 1
286 1 17 PHE H 1 18 CYS H . . 3.650 2.108 2.103 2.122 . 0 0 "[ . 1 . 2]" 1
287 1 17 PHE HB2 1 18 CYS H . . 5.040 4.113 4.096 4.122 . 0 0 "[ . 1 . 2]" 1
288 1 17 PHE HB3 1 18 CYS H . . 3.910 2.981 2.968 2.985 . 0 0 "[ . 1 . 2]" 1
289 1 18 CYS H 1 18 CYS HB2 . . 3.840 2.168 2.125 2.184 . 0 0 "[ . 1 . 2]" 1
290 1 18 CYS H 1 18 CYS HB3 . . 3.760 3.473 3.436 3.486 . 0 0 "[ . 1 . 2]" 1
291 1 18 CYS H 1 19 ILE H . . 3.730 2.540 2.424 2.840 . 0 0 "[ . 1 . 2]" 1
292 1 18 CYS H 1 19 ILE MD . . 5.500 5.417 5.303 5.491 . 0 0 "[ . 1 . 2]" 1
293 1 18 CYS H 1 19 ILE MG . . 5.120 4.686 4.522 4.923 . 0 0 "[ . 1 . 2]" 1
294 1 18 CYS HA 1 19 ILE QG . . 5.210 4.939 4.676 5.159 . 0 0 "[ . 1 . 2]" 1
295 1 18 CYS HA 1 19 ILE MG . . 4.180 4.078 3.954 4.152 . 0 0 "[ . 1 . 2]" 1
296 1 18 CYS HB2 1 19 ILE H . . 3.640 2.904 2.445 3.164 . 0 0 "[ . 1 . 2]" 1
297 1 18 CYS HB2 1 19 ILE QG . . 4.190 3.427 3.230 3.622 . 0 0 "[ . 1 . 2]" 1
298 1 18 CYS HB2 1 19 ILE MG . . 3.940 3.677 3.506 3.926 . 0 0 "[ . 1 . 2]" 1
299 1 18 CYS HB3 1 19 ILE H . . 4.070 3.306 2.596 3.607 . 0 0 "[ . 1 . 2]" 1
300 1 18 CYS HB3 1 19 ILE QG . . 4.090 3.539 3.148 3.768 . 0 0 "[ . 1 . 2]" 1
301 1 18 CYS HB3 1 19 ILE MG . . 3.540 2.654 2.461 2.824 . 0 0 "[ . 1 . 2]" 1
302 1 19 ILE H 1 19 ILE HB . . 3.980 3.861 3.777 3.914 . 0 0 "[ . 1 . 2]" 1
303 1 19 ILE H 1 19 ILE MD . . 4.170 3.820 3.374 4.079 . 0 0 "[ . 1 . 2]" 1
304 1 19 ILE H 1 19 ILE HG12 . . 3.990 2.879 2.420 3.610 . 0 0 "[ . 1 . 2]" 1
305 1 19 ILE H 1 19 ILE QG . . 3.430 2.229 1.943 2.401 . 0 0 "[ . 1 . 2]" 1
306 1 19 ILE H 1 19 ILE HG13 . . 3.990 2.571 1.954 3.071 . 0 0 "[ . 1 . 2]" 1
307 1 19 ILE H 1 19 ILE MG . . 3.790 3.097 2.868 3.324 . 0 0 "[ . 1 . 2]" 1
308 1 19 ILE HA 1 19 ILE MG . . 3.250 2.305 2.205 2.398 . 0 0 "[ . 1 . 2]" 1
309 1 19 ILE HA 1 21 ARG H . . 4.250 3.993 3.794 4.239 . 0 0 "[ . 1 . 2]" 1
310 1 19 ILE HB 1 21 ARG H . . 3.510 2.902 2.552 3.348 . 0 0 "[ . 1 . 2]" 1
311 1 19 ILE MD 1 21 ARG H . . 4.950 3.478 1.975 4.729 . 0 0 "[ . 1 . 2]" 1
312 1 19 ILE MG 1 21 ARG H . . 4.570 4.366 4.141 4.563 . 0 0 "[ . 1 . 2]" 1
313 1 22 ALA H 1 22 ALA MB . . 3.460 2.418 2.069 2.880 . 0 0 "[ . 1 . 2]" 1
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