NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
431813 |
2jr8   |
15323 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jr8
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 283
_Distance_constraint_stats_list.Viol_count 809
_Distance_constraint_stats_list.Viol_total 352.839
_Distance_constraint_stats_list.Viol_max 0.180
_Distance_constraint_stats_list.Viol_rms 0.0145
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0031
_Distance_constraint_stats_list.Viol_average_violations_only 0.0218
_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 LYS 0.078 0.029 16 0 "[ . 1 . 2]"
1 3 ILE 2.355 0.180 10 0 "[ . 1 . 2]"
1 4 PRO 0.133 0.053 18 0 "[ . 1 . 2]"
1 5 VAL 2.757 0.132 2 0 "[ . 1 . 2]"
1 6 LYS 0.578 0.025 17 0 "[ . 1 . 2]"
1 7 ALA 0.183 0.025 17 0 "[ . 1 . 2]"
1 8 ILE 1.886 0.046 2 0 "[ . 1 . 2]"
1 9 LYS 1.772 0.053 8 0 "[ . 1 . 2]"
1 10 GLN 0.685 0.053 8 0 "[ . 1 . 2]"
1 11 ALA 0.582 0.037 17 0 "[ . 1 . 2]"
1 12 GLY 0.287 0.023 4 0 "[ . 1 . 2]"
1 13 LYS 0.163 0.012 9 0 "[ . 1 . 2]"
1 14 VAL 2.623 0.121 8 0 "[ . 1 . 2]"
1 15 ILE 0.175 0.029 17 0 "[ . 1 . 2]"
1 16 GLY 0.288 0.019 18 0 "[ . 1 . 2]"
1 17 LYS 0.616 0.051 19 0 "[ . 1 . 2]"
1 18 GLY 0.518 0.051 19 0 "[ . 1 . 2]"
1 19 LEU 0.304 0.022 18 0 "[ . 1 . 2]"
1 20 ARG 0.500 0.025 8 0 "[ . 1 . 2]"
1 21 ALA 0.799 0.035 12 0 "[ . 1 . 2]"
1 22 ILE 0.851 0.035 12 0 "[ . 1 . 2]"
1 23 ASN 0.134 0.019 19 0 "[ . 1 . 2]"
1 24 ILE 0.211 0.014 19 0 "[ . 1 . 2]"
1 25 ALA 0.016 0.007 13 0 "[ . 1 . 2]"
1 26 GLY 0.194 0.037 1 0 "[ . 1 . 2]"
1 27 THR 0.291 0.037 1 0 "[ . 1 . 2]"
1 28 THR 0.081 0.012 5 0 "[ . 1 . 2]"
1 29 HIS 0.025 0.005 14 0 "[ . 1 . 2]"
1 30 ASP 0.782 0.026 5 0 "[ . 1 . 2]"
1 31 VAL 3.451 0.116 3 0 "[ . 1 . 2]"
1 32 VAL 0.857 0.055 3 0 "[ . 1 . 2]"
1 33 SER 0.140 0.035 16 0 "[ . 1 . 2]"
1 34 PHE 0.146 0.031 18 0 "[ . 1 . 2]"
1 35 PHE 0.101 0.018 17 0 "[ . 1 . 2]"
1 36 ARG 0.026 0.010 8 0 "[ . 1 . 2]"
1 37 PRO 0.097 0.055 4 0 "[ . 1 . 2]"
1 38 LYS 0.064 0.055 4 0 "[ . 1 . 2]"
1 39 LYS 0.030 0.021 8 0 "[ . 1 . 2]"
1 40 LYS 0.176 0.044 12 0 "[ . 1 . 2]"
1 41 LYS 0.154 0.044 12 0 "[ . 1 . 2]"
1 42 HIS 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 2 LYS H 1 2 LYS QB 2.500 . 3.600 2.685 2.139 3.350 . 0 0 "[ . 1 . 2]" 1
2 1 2 LYS H 1 2 LYS QD 3.000 . 4.000 3.166 1.960 4.004 0.004 20 0 "[ . 1 . 2]" 1
3 1 2 LYS HA 1 3 ILE H 2.500 . 3.100 2.291 2.143 3.109 0.009 12 0 "[ . 1 . 2]" 1
4 1 2 LYS QB 1 3 ILE H 2.500 . 3.600 3.292 1.945 3.629 0.029 16 0 "[ . 1 . 2]" 1
5 1 3 ILE H 1 3 ILE HB 2.500 . 3.100 2.745 2.446 3.083 . 0 0 "[ . 1 . 2]" 1
6 1 3 ILE H 1 3 ILE HG13 3.000 . 3.500 2.356 1.898 3.485 . 0 0 "[ . 1 . 2]" 1
7 1 3 ILE H 1 3 ILE MG 2.500 . 3.600 3.714 3.678 3.780 0.180 10 0 "[ . 1 . 2]" 1
8 1 3 ILE HA 1 4 PRO HD2 4.000 . 5.000 2.687 1.991 4.235 . 0 0 "[ . 1 . 2]" 1
9 1 4 PRO HA 1 5 VAL H 3.000 . 3.500 2.799 2.149 3.553 0.053 18 0 "[ . 1 . 2]" 1
10 1 4 PRO HA 1 6 LYS H 4.000 . 5.000 3.731 3.337 4.202 . 0 0 "[ . 1 . 2]" 1
11 1 4 PRO HA 1 7 ALA H 4.000 . 5.000 3.859 3.169 4.917 . 0 0 "[ . 1 . 2]" 1
12 1 4 PRO HA 1 7 ALA MB 4.000 . 5.000 3.803 2.618 4.934 . 0 0 "[ . 1 . 2]" 1
13 1 4 PRO QB 1 7 ALA MB 3.000 . 5.000 3.082 1.907 4.584 . 0 0 "[ . 1 . 2]" 1
14 1 5 VAL H 1 5 VAL HA 2.500 . 3.100 2.785 2.754 2.878 . 0 0 "[ . 1 . 2]" 1
15 1 5 VAL H 1 5 VAL HB 2.500 . 3.100 2.714 2.375 2.778 . 0 0 "[ . 1 . 2]" 1
16 1 5 VAL H 1 5 VAL MG1 2.500 . 3.600 3.716 3.709 3.732 0.132 2 0 "[ . 1 . 2]" 1
17 1 5 VAL H 1 6 LYS H 3.000 . 3.500 2.680 2.353 2.782 . 0 0 "[ . 1 . 2]" 1
18 1 5 VAL H 1 7 ALA H 4.000 . 5.000 4.248 4.042 4.493 . 0 0 "[ . 1 . 2]" 1
19 1 5 VAL HA 1 5 VAL HB 2.500 . 3.100 3.012 3.004 3.020 . 0 0 "[ . 1 . 2]" 1
20 1 5 VAL HA 1 5 VAL MG1 2.500 . 3.600 2.232 2.140 2.459 . 0 0 "[ . 1 . 2]" 1
21 1 5 VAL HA 1 5 VAL MG2 2.500 . 3.600 2.455 2.376 2.522 . 0 0 "[ . 1 . 2]" 1
22 1 5 VAL HA 1 6 LYS H 3.000 . 3.500 3.501 3.468 3.522 0.022 14 0 "[ . 1 . 2]" 1
23 1 5 VAL HA 1 8 ILE H 3.000 . 3.500 3.495 3.401 3.517 0.017 4 0 "[ . 1 . 2]" 1
24 1 5 VAL HA 1 8 ILE HB 3.000 . 3.500 3.470 3.329 3.511 0.011 19 0 "[ . 1 . 2]" 1
25 1 5 VAL HA 1 8 ILE MD 4.000 . 5.500 1.868 1.813 1.945 . 0 0 "[ . 1 . 2]" 1
26 1 5 VAL HA 1 8 ILE MG 4.000 . 5.500 4.723 4.658 4.808 . 0 0 "[ . 1 . 2]" 1
27 1 5 VAL HA 1 9 LYS H 4.000 . 5.000 4.120 3.843 4.256 . 0 0 "[ . 1 . 2]" 1
28 1 5 VAL HB 1 6 LYS H 2.500 . 3.100 2.811 2.651 3.001 . 0 0 "[ . 1 . 2]" 1
29 1 5 VAL MG1 1 9 LYS H 4.000 . 6.000 3.721 3.416 4.011 . 0 0 "[ . 1 . 2]" 1
30 1 5 VAL MG2 1 9 LYS H 4.000 . 6.000 5.688 5.467 5.867 . 0 0 "[ . 1 . 2]" 1
31 1 6 LYS H 1 6 LYS QD 3.000 . 4.000 3.560 2.435 4.016 0.016 9 0 "[ . 1 . 2]" 1
32 1 6 LYS H 1 7 ALA H 2.500 . 3.100 2.635 2.494 2.743 . 0 0 "[ . 1 . 2]" 1
33 1 6 LYS HA 1 7 ALA H 3.000 . 3.500 3.507 3.474 3.525 0.025 17 0 "[ . 1 . 2]" 1
34 1 6 LYS HA 1 9 LYS H 3.000 . 3.500 3.511 3.505 3.521 0.021 2 0 "[ . 1 . 2]" 1
35 1 6 LYS HA 1 9 LYS QB 4.000 . 5.500 2.568 2.229 3.661 . 0 0 "[ . 1 . 2]" 1
36 1 6 LYS HA 1 10 GLN H 4.000 . 5.000 3.915 3.571 4.332 . 0 0 "[ . 1 . 2]" 1
37 1 6 LYS QB 1 7 ALA H 3.000 . 4.000 2.857 2.624 3.581 . 0 0 "[ . 1 . 2]" 1
38 1 7 ALA H 1 7 ALA HA 2.500 . 3.100 2.807 2.794 2.849 . 0 0 "[ . 1 . 2]" 1
39 1 7 ALA H 1 7 ALA MB 2.500 . 3.600 2.147 2.080 2.240 . 0 0 "[ . 1 . 2]" 1
40 1 7 ALA H 1 8 ILE H 2.500 . 3.600 2.750 2.502 2.826 . 0 0 "[ . 1 . 2]" 1
41 1 7 ALA HA 1 10 GLN QB 4.000 . 5.500 3.090 2.532 4.371 . 0 0 "[ . 1 . 2]" 1
42 1 7 ALA MB 1 8 ILE H 3.000 . 4.000 2.448 2.282 2.798 . 0 0 "[ . 1 . 2]" 1
43 1 8 ILE H 1 8 ILE HA 2.500 . 3.100 2.823 2.801 2.871 . 0 0 "[ . 1 . 2]" 1
44 1 8 ILE H 1 8 ILE HB 2.500 . 3.100 2.710 2.690 2.721 . 0 0 "[ . 1 . 2]" 1
45 1 8 ILE H 1 8 ILE MD 3.000 . 4.000 2.665 2.339 2.938 . 0 0 "[ . 1 . 2]" 1
46 1 8 ILE H 1 8 ILE HG12 3.000 . 3.500 3.528 3.522 3.536 0.036 17 0 "[ . 1 . 2]" 1
47 1 8 ILE H 1 8 ILE HG13 2.500 . 3.100 1.979 1.953 2.022 . 0 0 "[ . 1 . 2]" 1
48 1 8 ILE H 1 8 ILE MG 3.000 . 4.000 3.753 3.742 3.776 . 0 0 "[ . 1 . 2]" 1
49 1 8 ILE H 1 9 LYS H 2.500 . 3.100 2.650 2.533 2.701 . 0 0 "[ . 1 . 2]" 1
50 1 8 ILE H 1 10 GLN H 4.000 . 5.000 4.101 3.770 4.538 . 0 0 "[ . 1 . 2]" 1
51 1 8 ILE HA 1 8 ILE HG13 3.000 . 3.500 2.691 2.631 2.832 . 0 0 "[ . 1 . 2]" 1
52 1 8 ILE HA 1 9 LYS H 3.000 . 3.500 3.536 3.530 3.546 0.046 2 0 "[ . 1 . 2]" 1
53 1 8 ILE HA 1 11 ALA H 3.000 . 3.500 3.411 3.262 3.507 0.007 12 0 "[ . 1 . 2]" 1
54 1 8 ILE HA 1 11 ALA MB 4.000 . 5.500 2.701 2.349 3.109 . 0 0 "[ . 1 . 2]" 1
55 1 8 ILE HA 1 12 GLY H 4.000 . 5.000 4.358 3.805 4.888 . 0 0 "[ . 1 . 2]" 1
56 1 8 ILE HB 1 9 LYS H 3.000 . 3.500 2.459 2.303 2.510 . 0 0 "[ . 1 . 2]" 1
57 1 8 ILE MD 1 9 LYS H 2.500 . 3.600 3.611 3.601 3.623 0.023 19 0 "[ . 1 . 2]" 1
58 1 8 ILE MG 1 9 LYS H 2.500 . 3.600 3.602 3.489 3.625 0.025 17 0 "[ . 1 . 2]" 1
59 1 9 LYS H 1 10 GLN H 2.500 . 3.100 2.734 2.603 2.996 . 0 0 "[ . 1 . 2]" 1
60 1 9 LYS HA 1 10 GLN H 3.000 . 3.500 3.517 3.481 3.553 0.053 8 0 "[ . 1 . 2]" 1
61 1 9 LYS HA 1 11 ALA H 4.000 . 5.000 4.300 4.113 4.586 . 0 0 "[ . 1 . 2]" 1
62 1 9 LYS HA 1 12 GLY H 3.000 . 3.500 3.468 3.283 3.510 0.010 11 0 "[ . 1 . 2]" 1
63 1 9 LYS HA 1 13 LYS H 4.000 . 5.000 4.570 4.213 4.786 . 0 0 "[ . 1 . 2]" 1
64 1 9 LYS QB 1 10 GLN H 3.000 . 4.000 2.696 2.232 3.569 . 0 0 "[ . 1 . 2]" 1
65 1 10 GLN H 1 13 LYS H 4.000 2.800 5.000 4.894 4.682 5.000 . 0 0 "[ . 1 . 2]" 1
66 1 10 GLN HA 1 10 GLN HB3 2.500 . 3.100 2.790 2.410 3.020 . 0 0 "[ . 1 . 2]" 1
67 1 10 GLN HA 1 10 GLN QG 2.500 . 3.600 2.400 2.020 3.400 . 0 0 "[ . 1 . 2]" 1
68 1 10 GLN HA 1 11 ALA H 3.000 . 3.500 3.510 3.491 3.537 0.037 17 0 "[ . 1 . 2]" 1
69 1 10 GLN HA 1 13 LYS H 3.000 . 3.500 3.453 3.304 3.512 0.012 8 0 "[ . 1 . 2]" 1
70 1 10 GLN HA 1 13 LYS HB3 3.000 . 4.000 3.994 3.873 4.010 0.010 14 0 "[ . 1 . 2]" 1
71 1 10 GLN HA 1 14 VAL H 4.000 . 5.000 4.516 4.238 4.740 . 0 0 "[ . 1 . 2]" 1
72 1 10 GLN HB2 1 11 ALA H 4.000 . 5.000 3.395 2.775 3.945 . 0 0 "[ . 1 . 2]" 1
73 1 10 GLN HB3 1 11 ALA H 4.000 . 5.000 3.185 2.667 3.985 . 0 0 "[ . 1 . 2]" 1
74 1 10 GLN QG 1 11 ALA H 4.000 . 5.500 3.977 1.994 4.591 . 0 0 "[ . 1 . 2]" 1
75 1 11 ALA H 1 11 ALA HA 2.500 . 3.100 2.835 2.805 2.857 . 0 0 "[ . 1 . 2]" 1
76 1 11 ALA H 1 11 ALA MB 3.000 . 4.000 2.165 2.088 2.247 . 0 0 "[ . 1 . 2]" 1
77 1 11 ALA H 1 12 GLY H 2.500 . 3.100 2.564 2.478 2.662 . 0 0 "[ . 1 . 2]" 1
78 1 11 ALA HA 1 12 GLY H 3.000 . 3.500 3.512 3.501 3.523 0.023 4 0 "[ . 1 . 2]" 1
79 1 11 ALA HA 1 14 VAL H 3.000 . 3.500 3.504 3.474 3.510 0.010 8 0 "[ . 1 . 2]" 1
80 1 11 ALA HA 1 14 VAL HB 3.000 . 3.500 3.436 3.230 3.506 0.006 8 0 "[ . 1 . 2]" 1
81 1 11 ALA HA 1 15 ILE H 4.000 . 5.000 4.738 4.519 4.954 . 0 0 "[ . 1 . 2]" 1
82 1 11 ALA MB 1 12 GLY H 3.000 . 4.000 2.697 2.597 2.769 . 0 0 "[ . 1 . 2]" 1
83 1 12 GLY H 1 13 LYS H 2.500 . 3.100 2.566 2.519 2.647 . 0 0 "[ . 1 . 2]" 1
84 1 12 GLY QA 1 13 LYS H 2.500 . 3.600 2.802 2.730 2.839 . 0 0 "[ . 1 . 2]" 1
85 1 12 GLY QA 1 15 ILE H 3.000 . 4.000 3.493 3.346 3.651 . 0 0 "[ . 1 . 2]" 1
86 1 12 GLY QA 1 15 ILE HB 2.500 . 3.600 3.357 2.943 3.602 0.002 9 0 "[ . 1 . 2]" 1
87 1 12 GLY QA 1 16 GLY H 4.000 . 5.500 4.555 4.030 5.001 . 0 0 "[ . 1 . 2]" 1
88 1 13 LYS H 1 13 LYS HA 2.500 . 3.100 2.849 2.813 2.880 . 0 0 "[ . 1 . 2]" 1
89 1 13 LYS H 1 13 LYS HB2 2.500 . 3.100 2.090 2.064 2.123 . 0 0 "[ . 1 . 2]" 1
90 1 13 LYS H 1 13 LYS HB3 3.000 . 3.500 3.242 3.145 3.406 . 0 0 "[ . 1 . 2]" 1
91 1 13 LYS H 1 13 LYS QD 2.500 . 3.100 2.998 2.653 3.109 0.009 14 0 "[ . 1 . 2]" 1
92 1 13 LYS H 1 14 VAL H 3.000 . 3.500 2.549 2.422 2.667 . 0 0 "[ . 1 . 2]" 1
93 1 13 LYS HA 1 13 LYS QD 2.500 . 3.600 2.506 1.989 3.289 . 0 0 "[ . 1 . 2]" 1
94 1 13 LYS HA 1 16 GLY H 3.000 . 3.500 3.383 3.267 3.512 0.012 9 0 "[ . 1 . 2]" 1
95 1 13 LYS HB2 1 14 VAL H 3.000 . 4.000 3.179 2.978 3.319 . 0 0 "[ . 1 . 2]" 1
96 1 13 LYS HB3 1 14 VAL H 3.000 . 4.000 2.963 2.731 3.214 . 0 0 "[ . 1 . 2]" 1
97 1 14 VAL H 1 14 VAL HA 2.500 . 3.100 2.786 2.778 2.797 . 0 0 "[ . 1 . 2]" 1
98 1 14 VAL H 1 14 VAL HB 2.500 . 3.100 2.746 2.683 2.761 . 0 0 "[ . 1 . 2]" 1
99 1 14 VAL H 1 14 VAL MG1 2.500 . 3.600 3.715 3.712 3.721 0.121 8 0 "[ . 1 . 2]" 1
100 1 14 VAL H 1 14 VAL MG2 3.000 . 4.000 1.994 1.951 2.024 . 0 0 "[ . 1 . 2]" 1
101 1 14 VAL H 1 15 ILE H 2.500 . 3.100 2.680 2.657 2.703 . 0 0 "[ . 1 . 2]" 1
102 1 14 VAL HA 1 14 VAL HB 2.500 . 3.100 3.011 3.008 3.016 . 0 0 "[ . 1 . 2]" 1
103 1 14 VAL HA 1 14 VAL MG1 2.500 . 3.600 2.214 2.136 2.325 . 0 0 "[ . 1 . 2]" 1
104 1 14 VAL HA 1 14 VAL MG2 2.500 . 3.600 2.472 2.452 2.491 . 0 0 "[ . 1 . 2]" 1
105 1 14 VAL HA 1 15 ILE H 3.000 . 3.500 3.503 3.479 3.529 0.029 17 0 "[ . 1 . 2]" 1
106 1 14 VAL HA 1 16 GLY H 4.000 . 5.000 4.304 4.117 4.512 . 0 0 "[ . 1 . 2]" 1
107 1 14 VAL HA 1 17 LYS H 3.000 . 3.500 3.480 3.293 3.512 0.012 8 0 "[ . 1 . 2]" 1
108 1 14 VAL HA 1 17 LYS HB2 3.000 . 3.500 3.134 2.666 3.503 0.003 9 0 "[ . 1 . 2]" 1
109 1 14 VAL HA 1 17 LYS HB3 3.000 . 3.500 3.223 2.654 3.504 0.004 8 0 "[ . 1 . 2]" 1
110 1 14 VAL HA 1 18 GLY H 4.000 . 5.000 4.293 3.435 4.996 . 0 0 "[ . 1 . 2]" 1
111 1 14 VAL HB 1 15 ILE H 2.500 . 3.100 2.790 2.556 2.926 . 0 0 "[ . 1 . 2]" 1
112 1 14 VAL MG1 1 15 ILE H 3.000 . 4.000 3.840 3.710 3.920 . 0 0 "[ . 1 . 2]" 1
113 1 14 VAL MG2 1 15 ILE H 3.000 . 4.000 3.685 3.561 3.738 . 0 0 "[ . 1 . 2]" 1
114 1 15 ILE H 1 15 ILE HA 2.500 . 3.100 2.831 2.798 2.857 . 0 0 "[ . 1 . 2]" 1
115 1 15 ILE H 1 15 ILE HB 2.500 . 3.100 2.614 2.606 2.625 . 0 0 "[ . 1 . 2]" 1
116 1 15 ILE H 1 15 ILE HG12 3.000 . 3.500 3.369 3.175 3.501 0.001 11 0 "[ . 1 . 2]" 1
117 1 15 ILE H 1 15 ILE HG13 3.000 . 3.500 1.974 1.950 1.999 . 0 0 "[ . 1 . 2]" 1
118 1 15 ILE H 1 16 GLY H 3.000 . 3.500 2.601 2.485 2.716 . 0 0 "[ . 1 . 2]" 1
119 1 15 ILE HA 1 15 ILE HG13 2.500 . 3.100 2.970 2.807 3.104 0.004 4 0 "[ . 1 . 2]" 1
120 1 15 ILE HA 1 16 GLY H 3.000 . 4.000 3.527 3.496 3.554 . 0 0 "[ . 1 . 2]" 1
121 1 15 ILE HA 1 18 GLY H 3.000 . 4.000 3.824 3.492 4.006 0.006 7 0 "[ . 1 . 2]" 1
122 1 15 ILE HA 1 19 LEU H 4.000 . 5.000 4.658 3.969 5.006 0.006 15 0 "[ . 1 . 2]" 1
123 1 16 GLY H 1 17 LYS H 2.500 . 3.100 2.557 2.375 2.776 . 0 0 "[ . 1 . 2]" 1
124 1 16 GLY HA3 1 17 LYS H 3.000 . 3.500 2.844 2.656 2.987 . 0 0 "[ . 1 . 2]" 1
125 1 16 GLY HA3 1 19 LEU H 3.000 . 4.500 4.509 4.502 4.519 0.019 18 0 "[ . 1 . 2]" 1
126 1 16 GLY HA3 1 19 LEU QB 3.000 . 4.500 4.063 3.833 4.259 . 0 0 "[ . 1 . 2]" 1
127 1 16 GLY HA3 1 20 ARG H 4.000 . 5.000 4.937 4.603 5.013 0.013 8 0 "[ . 1 . 2]" 1
128 1 17 LYS H 1 18 GLY H 3.000 . 4.000 2.689 2.645 2.824 . 0 0 "[ . 1 . 2]" 1
129 1 17 LYS HA 1 18 GLY H 3.000 . 3.500 3.516 3.499 3.551 0.051 19 0 "[ . 1 . 2]" 1
130 1 17 LYS HA 1 20 ARG H 3.000 . 3.500 3.510 3.503 3.525 0.025 8 0 "[ . 1 . 2]" 1
131 1 17 LYS HA 1 20 ARG QB 3.000 . 4.500 2.870 2.596 4.030 . 0 0 "[ . 1 . 2]" 1
132 1 17 LYS HA 1 21 ALA H 4.000 . 5.500 4.354 4.021 4.894 . 0 0 "[ . 1 . 2]" 1
133 1 18 GLY H 1 19 LEU H 2.500 . 3.100 2.572 2.527 2.632 . 0 0 "[ . 1 . 2]" 1
134 1 18 GLY HA2 1 19 LEU H 3.000 . 4.000 3.521 3.496 3.539 . 0 0 "[ . 1 . 2]" 1
135 1 18 GLY HA2 1 21 ALA MB 3.000 . 4.000 2.659 2.265 3.125 . 0 0 "[ . 1 . 2]" 1
136 1 18 GLY HA3 1 19 LEU H 3.000 . 3.500 2.868 2.814 2.929 . 0 0 "[ . 1 . 2]" 1
137 1 18 GLY HA3 1 21 ALA MB 3.000 . 4.500 4.095 3.755 4.429 . 0 0 "[ . 1 . 2]" 1
138 1 18 GLY HA3 1 22 ILE H 4.000 . 5.000 5.007 4.972 5.014 0.014 7 0 "[ . 1 . 2]" 1
139 1 19 LEU H 1 19 LEU QB 2.500 . 3.600 2.132 2.037 2.246 . 0 0 "[ . 1 . 2]" 1
140 1 19 LEU H 1 19 LEU HG 4.000 . 5.000 3.810 2.956 4.539 . 0 0 "[ . 1 . 2]" 1
141 1 19 LEU H 1 20 ARG H 2.500 . 3.100 2.552 2.451 2.638 . 0 0 "[ . 1 . 2]" 1
142 1 19 LEU HA 1 19 LEU MD1 3.000 . 4.000 3.377 1.999 3.792 . 0 0 "[ . 1 . 2]" 1
143 1 19 LEU HA 1 19 LEU MD2 2.500 . 3.600 2.694 2.028 3.606 0.006 6 0 "[ . 1 . 2]" 1
144 1 19 LEU HA 1 22 ILE H 3.000 . 3.500 3.462 3.199 3.522 0.022 18 0 "[ . 1 . 2]" 1
145 1 19 LEU HA 1 22 ILE HB 4.000 . 5.000 2.998 2.522 3.360 . 0 0 "[ . 1 . 2]" 1
146 1 19 LEU QB 1 20 ARG H 2.500 . 3.600 2.721 2.498 2.887 . 0 0 "[ . 1 . 2]" 1
147 1 20 ARG H 1 21 ALA H 2.500 . 3.100 2.527 2.445 2.719 . 0 0 "[ . 1 . 2]" 1
148 1 20 ARG HA 1 21 ALA H 3.000 . 3.500 3.491 3.392 3.525 0.025 19 0 "[ . 1 . 2]" 1
149 1 20 ARG HA 1 23 ASN H 3.000 . 3.500 3.498 3.439 3.519 0.019 19 0 "[ . 1 . 2]" 1
150 1 20 ARG HA 1 23 ASN HB2 3.000 . 3.500 2.814 2.616 3.111 . 0 0 "[ . 1 . 2]" 1
151 1 20 ARG HA 1 23 ASN HB3 3.000 . 3.500 3.430 3.288 3.504 0.004 17 0 "[ . 1 . 2]" 1
152 1 20 ARG HA 1 24 ILE H 4.000 . 5.000 4.428 4.114 4.715 . 0 0 "[ . 1 . 2]" 1
153 1 21 ALA H 1 21 ALA HA 2.500 . 3.100 2.854 2.837 2.888 . 0 0 "[ . 1 . 2]" 1
154 1 21 ALA H 1 21 ALA MB 2.500 . 3.600 2.142 2.098 2.263 . 0 0 "[ . 1 . 2]" 1
155 1 21 ALA H 1 22 ILE H 4.000 . 5.000 2.525 2.378 2.593 . 0 0 "[ . 1 . 2]" 1
156 1 21 ALA HA 1 22 ILE H 3.000 . 3.500 3.528 3.519 3.535 0.035 12 0 "[ . 1 . 2]" 1
157 1 21 ALA HA 1 24 ILE H 3.000 . 3.500 3.500 3.408 3.514 0.014 19 0 "[ . 1 . 2]" 1
158 1 21 ALA HA 1 24 ILE HB 3.000 . 4.000 3.332 3.083 3.628 . 0 0 "[ . 1 . 2]" 1
159 1 21 ALA HA 1 25 ALA H 4.000 . 5.000 4.221 3.816 4.973 . 0 0 "[ . 1 . 2]" 1
160 1 21 ALA MB 1 22 ILE H 3.000 . 4.000 2.606 2.491 2.704 . 0 0 "[ . 1 . 2]" 1
161 1 22 ILE H 1 22 ILE HA 2.500 . 3.100 2.833 2.819 2.847 . 0 0 "[ . 1 . 2]" 1
162 1 22 ILE H 1 22 ILE HB 2.500 . 3.100 2.597 2.536 2.625 . 0 0 "[ . 1 . 2]" 1
163 1 22 ILE H 1 22 ILE HG13 3.000 . 3.500 2.058 1.988 2.212 . 0 0 "[ . 1 . 2]" 1
164 1 22 ILE H 1 23 ASN H 3.000 . 4.000 2.560 2.524 2.619 . 0 0 "[ . 1 . 2]" 1
165 1 22 ILE HA 1 22 ILE HG13 3.000 . 3.500 2.745 2.673 2.825 . 0 0 "[ . 1 . 2]" 1
166 1 22 ILE HA 1 23 ASN H 3.000 . 3.500 3.483 3.460 3.496 . 0 0 "[ . 1 . 2]" 1
167 1 22 ILE HA 1 25 ALA H 3.000 . 3.500 3.383 3.175 3.503 0.003 10 0 "[ . 1 . 2]" 1
168 1 22 ILE HA 1 25 ALA MB 3.000 . 4.500 2.446 2.006 3.105 . 0 0 "[ . 1 . 2]" 1
169 1 22 ILE HA 1 26 GLY H 4.000 . 5.000 4.234 3.342 4.842 . 0 0 "[ . 1 . 2]" 1
170 1 23 ASN H 1 23 ASN HB2 2.500 . 3.100 2.176 2.131 2.266 . 0 0 "[ . 1 . 2]" 1
171 1 23 ASN H 1 23 ASN HB3 2.500 . 3.100 3.000 2.884 3.066 . 0 0 "[ . 1 . 2]" 1
172 1 23 ASN H 1 24 ILE H 3.000 . 3.500 2.568 2.503 2.617 . 0 0 "[ . 1 . 2]" 1
173 1 23 ASN HA 1 24 ILE H 4.000 . 5.000 3.533 3.504 3.552 . 0 0 "[ . 1 . 2]" 1
174 1 23 ASN HA 1 26 GLY H 4.000 . 5.000 3.769 3.243 4.256 . 0 0 "[ . 1 . 2]" 1
175 1 23 ASN HB2 1 24 ILE H 3.000 . 3.500 3.459 3.347 3.507 0.007 17 0 "[ . 1 . 2]" 1
176 1 23 ASN HB3 1 24 ILE H 3.000 . 3.500 2.725 2.546 2.921 . 0 0 "[ . 1 . 2]" 1
177 1 24 ILE H 1 24 ILE HB 2.500 . 3.100 2.614 2.597 2.629 . 0 0 "[ . 1 . 2]" 1
178 1 24 ILE H 1 24 ILE MD 3.000 . 4.000 3.313 3.122 3.695 . 0 0 "[ . 1 . 2]" 1
179 1 24 ILE H 1 24 ILE HG12 3.000 . 3.500 3.476 3.284 3.506 0.006 15 0 "[ . 1 . 2]" 1
180 1 24 ILE H 1 24 ILE HG13 2.500 . 3.100 2.030 1.951 2.234 . 0 0 "[ . 1 . 2]" 1
181 1 24 ILE H 1 24 ILE MG 3.000 . 4.000 3.781 3.770 3.816 . 0 0 "[ . 1 . 2]" 1
182 1 24 ILE H 1 25 ALA H 3.000 . 3.500 2.465 2.204 2.709 . 0 0 "[ . 1 . 2]" 1
183 1 24 ILE HA 1 25 ALA H 3.000 . 4.000 3.496 3.462 3.553 . 0 0 "[ . 1 . 2]" 1
184 1 24 ILE HA 1 27 THR H 3.000 . 4.000 3.523 3.193 4.004 0.004 5 0 "[ . 1 . 2]" 1
185 1 24 ILE HA 1 27 THR HB 3.000 . 4.500 3.892 2.979 4.502 0.002 10 0 "[ . 1 . 2]" 1
186 1 24 ILE HA 1 28 THR H 4.000 . 5.000 4.595 3.840 5.005 0.005 8 0 "[ . 1 . 2]" 1
187 1 24 ILE HB 1 25 ALA H 2.500 . 3.100 2.828 2.435 3.004 . 0 0 "[ . 1 . 2]" 1
188 1 24 ILE MG 1 25 ALA H 3.000 . 4.000 3.769 3.539 3.904 . 0 0 "[ . 1 . 2]" 1
189 1 25 ALA H 1 26 GLY H 3.000 . 3.500 2.586 2.247 2.779 . 0 0 "[ . 1 . 2]" 1
190 1 25 ALA HA 1 26 GLY H 4.000 . 5.000 3.503 3.478 3.541 . 0 0 "[ . 1 . 2]" 1
191 1 25 ALA HA 1 27 THR H 4.000 2.800 5.000 4.173 3.864 4.461 . 0 0 "[ . 1 . 2]" 1
192 1 25 ALA HA 1 28 THR H 3.000 . 4.000 3.580 3.285 3.877 . 0 0 "[ . 1 . 2]" 1
193 1 25 ALA HA 1 28 THR MG 3.000 . 4.500 3.189 1.868 4.507 0.007 13 0 "[ . 1 . 2]" 1
194 1 25 ALA HA 1 29 HIS H 4.000 2.800 5.000 4.228 3.769 4.701 . 0 0 "[ . 1 . 2]" 1
195 1 25 ALA MB 1 26 GLY H 3.000 . 4.000 2.773 2.538 2.915 . 0 0 "[ . 1 . 2]" 1
196 1 26 GLY H 1 26 GLY HA2 3.000 . 3.500 2.831 2.794 2.898 . 0 0 "[ . 1 . 2]" 1
197 1 26 GLY H 1 26 GLY HA3 2.500 . 3.100 2.301 2.295 2.328 . 0 0 "[ . 1 . 2]" 1
198 1 26 GLY H 1 27 THR H 3.000 . 3.500 2.619 2.396 2.733 . 0 0 "[ . 1 . 2]" 1
199 1 26 GLY HA2 1 27 THR H 3.000 . 3.500 3.507 3.481 3.537 0.037 1 0 "[ . 1 . 2]" 1
200 1 26 GLY HA3 1 27 THR H 3.000 . 3.500 2.908 2.774 2.990 . 0 0 "[ . 1 . 2]" 1
201 1 26 GLY HA3 1 29 HIS HB2 4.000 . 5.000 4.616 4.296 5.002 0.002 4 0 "[ . 1 . 2]" 1
202 1 26 GLY HA3 1 29 HIS HB3 4.000 . 5.000 4.769 4.174 5.005 0.005 14 0 "[ . 1 . 2]" 1
203 1 26 GLY HA3 1 29 HIS HD2 5.000 . 6.000 5.802 5.468 6.004 0.004 1 0 "[ . 1 . 2]" 1
204 1 27 THR H 1 27 THR HA 2.500 . 3.100 2.845 2.797 2.886 . 0 0 "[ . 1 . 2]" 1
205 1 27 THR H 1 28 THR H 3.000 . 4.000 2.637 2.479 2.830 . 0 0 "[ . 1 . 2]" 1
206 1 27 THR HA 1 30 ASP H 3.000 . 3.500 3.496 3.369 3.513 0.013 18 0 "[ . 1 . 2]" 1
207 1 27 THR HA 1 30 ASP HB2 3.000 . 4.000 3.008 2.700 3.542 . 0 0 "[ . 1 . 2]" 1
208 1 27 THR HA 1 30 ASP HB3 4.000 . 5.000 4.040 3.660 4.317 . 0 0 "[ . 1 . 2]" 1
209 1 28 THR H 1 28 THR HB 2.500 . 3.100 2.788 2.494 3.006 . 0 0 "[ . 1 . 2]" 1
210 1 28 THR H 1 28 THR MG 2.500 . 3.600 2.813 1.963 3.603 0.003 5 0 "[ . 1 . 2]" 1
211 1 28 THR H 1 29 HIS H 3.000 . 4.000 2.657 2.548 2.715 . 0 0 "[ . 1 . 2]" 1
212 1 28 THR HA 1 28 THR MG 2.500 . 3.600 2.679 2.058 3.227 . 0 0 "[ . 1 . 2]" 1
213 1 28 THR HA 1 31 VAL HB 3.000 . 3.500 3.153 2.826 3.382 . 0 0 "[ . 1 . 2]" 1
214 1 28 THR HA 1 31 VAL MG1 3.000 . 4.500 4.431 4.163 4.512 0.012 5 0 "[ . 1 . 2]" 1
215 1 28 THR HA 1 31 VAL MG2 3.000 . 4.500 2.526 1.981 3.430 . 0 0 "[ . 1 . 2]" 1
216 1 29 HIS H 1 29 HIS HA 2.500 . 3.100 2.818 2.797 2.857 . 0 0 "[ . 1 . 2]" 1
217 1 29 HIS H 1 29 HIS HB2 2.500 . 3.100 2.212 2.112 2.419 . 0 0 "[ . 1 . 2]" 1
218 1 29 HIS H 1 29 HIS HB3 2.500 . 3.100 2.927 2.653 3.076 . 0 0 "[ . 1 . 2]" 1
219 1 29 HIS H 1 30 ASP H 3.000 . 4.000 2.601 2.489 2.664 . 0 0 "[ . 1 . 2]" 1
220 1 29 HIS HA 1 29 HIS HD2 4.000 . 5.000 4.567 4.340 4.744 . 0 0 "[ . 1 . 2]" 1
221 1 29 HIS HA 1 32 VAL HB 3.000 . 4.000 3.248 2.927 3.997 . 0 0 "[ . 1 . 2]" 1
222 1 29 HIS HA 1 32 VAL MG1 5.000 . 6.000 4.488 4.173 5.114 . 0 0 "[ . 1 . 2]" 1
223 1 29 HIS HB2 1 29 HIS HD2 2.500 . 3.100 2.898 2.737 3.069 . 0 0 "[ . 1 . 2]" 1
224 1 29 HIS HB2 1 30 ASP H 3.000 . 4.000 3.705 3.546 3.932 . 0 0 "[ . 1 . 2]" 1
225 1 29 HIS HB3 1 29 HIS HD2 3.000 . 3.500 3.235 3.035 3.475 . 0 0 "[ . 1 . 2]" 1
226 1 29 HIS HB3 1 30 ASP H 3.000 . 4.000 2.968 2.844 3.182 . 0 0 "[ . 1 . 2]" 1
227 1 30 ASP H 1 30 ASP HA 2.500 . 3.100 2.865 2.827 2.941 . 0 0 "[ . 1 . 2]" 1
228 1 30 ASP H 1 30 ASP HB2 2.500 . 3.100 2.145 2.079 2.402 . 0 0 "[ . 1 . 2]" 1
229 1 30 ASP H 1 30 ASP HB3 2.500 . 3.100 3.117 3.105 3.126 0.026 5 0 "[ . 1 . 2]" 1
230 1 30 ASP H 1 31 VAL H 3.000 . 4.000 2.610 2.369 2.712 . 0 0 "[ . 1 . 2]" 1
231 1 30 ASP HA 1 33 SER HB2 2.500 . 3.100 2.894 2.612 3.104 0.004 20 0 "[ . 1 . 2]" 1
232 1 30 ASP HA 1 33 SER HB3 4.000 . 5.000 3.149 2.732 3.720 . 0 0 "[ . 1 . 2]" 1
233 1 30 ASP HB2 1 31 VAL H 2.500 . 3.100 3.116 3.107 3.124 0.024 8 0 "[ . 1 . 2]" 1
234 1 30 ASP HB3 1 31 VAL H 2.500 . 3.100 2.462 2.346 2.573 . 0 0 "[ . 1 . 2]" 1
235 1 31 VAL H 1 31 VAL HA 2.500 . 3.100 2.748 2.722 2.761 . 0 0 "[ . 1 . 2]" 1
236 1 31 VAL H 1 31 VAL HB 2.500 . 3.100 2.772 2.732 2.803 . 0 0 "[ . 1 . 2]" 1
237 1 31 VAL H 1 31 VAL MG1 2.500 . 3.600 3.712 3.708 3.716 0.116 3 0 "[ . 1 . 2]" 1
238 1 31 VAL H 1 31 VAL MG2 2.500 . 3.600 1.976 1.914 2.010 . 0 0 "[ . 1 . 2]" 1
239 1 31 VAL H 1 32 VAL H 3.000 . 3.500 2.848 2.783 3.056 . 0 0 "[ . 1 . 2]" 1
240 1 31 VAL H 1 33 SER H 4.000 . 5.000 4.081 3.940 4.290 . 0 0 "[ . 1 . 2]" 1
241 1 31 VAL HA 1 31 VAL HB 2.500 . 3.100 3.011 3.009 3.014 . 0 0 "[ . 1 . 2]" 1
242 1 31 VAL HA 1 32 VAL H 3.000 . 3.500 3.533 3.517 3.555 0.055 3 0 "[ . 1 . 2]" 1
243 1 31 VAL HA 1 34 PHE H 3.000 . 3.500 3.489 3.363 3.510 0.010 8 0 "[ . 1 . 2]" 1
244 1 31 VAL HA 1 34 PHE HB3 4.000 . 5.000 4.041 3.465 4.841 . 0 0 "[ . 1 . 2]" 1
245 1 31 VAL HA 1 35 PHE H 4.000 . 5.000 4.692 3.852 5.008 0.008 20 0 "[ . 1 . 2]" 1
246 1 31 VAL HB 1 32 VAL H 4.000 . 5.000 2.507 2.042 2.688 . 0 0 "[ . 1 . 2]" 1
247 1 31 VAL HB 1 32 VAL HB 4.000 . 5.000 4.936 4.638 5.012 0.012 1 0 "[ . 1 . 2]" 1
248 1 32 VAL H 1 32 VAL HB 2.500 . 3.100 2.622 2.591 2.697 . 0 0 "[ . 1 . 2]" 1
249 1 32 VAL H 1 32 VAL MG1 3.000 . 4.000 3.770 3.761 3.780 . 0 0 "[ . 1 . 2]" 1
250 1 32 VAL H 1 32 VAL MG2 3.000 . 4.000 2.069 1.938 2.264 . 0 0 "[ . 1 . 2]" 1
251 1 32 VAL H 1 33 SER H 2.500 . 3.100 2.584 2.462 2.763 . 0 0 "[ . 1 . 2]" 1
252 1 32 VAL HA 1 33 SER H 3.000 . 3.500 3.494 3.470 3.535 0.035 16 0 "[ . 1 . 2]" 1
253 1 32 VAL HA 1 35 PHE H 3.000 . 3.500 3.441 3.181 3.518 0.018 17 0 "[ . 1 . 2]" 1
254 1 32 VAL HA 1 35 PHE HB2 3.000 . 4.000 3.505 2.248 4.001 0.001 5 0 "[ . 1 . 2]" 1
255 1 32 VAL HA 1 35 PHE HB3 3.000 . 4.000 3.619 3.026 4.006 0.006 18 0 "[ . 1 . 2]" 1
256 1 32 VAL HA 1 36 ARG H 4.000 . 5.000 4.060 3.210 5.005 0.005 16 0 "[ . 1 . 2]" 1
257 1 32 VAL HB 1 33 SER H 2.500 . 3.100 2.836 2.520 2.986 . 0 0 "[ . 1 . 2]" 1
258 1 32 VAL MG1 1 33 SER H 3.000 . 4.000 3.755 3.521 3.856 . 0 0 "[ . 1 . 2]" 1
259 1 32 VAL MG2 1 33 SER H 4.000 . 5.000 3.822 3.729 3.904 . 0 0 "[ . 1 . 2]" 1
260 1 33 SER H 1 33 SER HA 2.500 . 3.100 2.843 2.792 2.876 . 0 0 "[ . 1 . 2]" 1
261 1 33 SER H 1 33 SER HB2 2.500 . 3.100 2.279 2.156 2.466 . 0 0 "[ . 1 . 2]" 1
262 1 33 SER H 1 33 SER HB3 2.500 . 3.100 2.872 2.639 3.050 . 0 0 "[ . 1 . 2]" 1
263 1 33 SER H 1 34 PHE H 3.000 . 4.000 2.527 2.418 2.675 . 0 0 "[ . 1 . 2]" 1
264 1 33 SER HA 1 33 SER HB3 2.500 . 3.100 2.985 2.942 3.023 . 0 0 "[ . 1 . 2]" 1
265 1 33 SER HA 1 34 PHE H 3.000 . 3.500 3.494 3.473 3.531 0.031 18 0 "[ . 1 . 2]" 1
266 1 33 SER HA 1 36 ARG H 4.000 . 5.000 3.518 3.009 4.328 . 0 0 "[ . 1 . 2]" 1
267 1 33 SER HA 1 36 ARG QB 3.000 . 4.000 3.388 2.003 4.005 0.005 12 0 "[ . 1 . 2]" 1
268 1 33 SER HA 1 37 PRO HD2 4.000 . 5.500 5.054 3.509 5.510 0.010 4 0 "[ . 1 . 2]" 1
269 1 34 PHE H 1 35 PHE H 3.000 . 4.000 2.524 2.242 2.694 . 0 0 "[ . 1 . 2]" 1
270 1 34 PHE HA 1 35 PHE H 4.000 . 5.000 3.490 3.189 3.540 . 0 0 "[ . 1 . 2]" 1
271 1 34 PHE HB2 1 35 PHE H 4.000 . 5.000 3.361 2.777 4.125 . 0 0 "[ . 1 . 2]" 1
272 1 34 PHE HB3 1 35 PHE H 4.000 . 5.000 3.152 2.611 3.853 . 0 0 "[ . 1 . 2]" 1
273 1 35 PHE H 1 36 ARG H 4.000 . 5.000 2.401 1.990 3.061 . 0 0 "[ . 1 . 2]" 1
274 1 36 ARG H 1 37 PRO HD2 4.000 . 5.000 3.805 2.169 5.010 0.010 8 0 "[ . 1 . 2]" 1
275 1 36 ARG QG 1 37 PRO HD2 4.000 . 5.500 3.438 1.963 4.523 . 0 0 "[ . 1 . 2]" 1
276 1 36 ARG QG 1 37 PRO HD3 4.000 . 5.500 3.966 2.231 5.141 . 0 0 "[ . 1 . 2]" 1
277 1 37 PRO HA 1 38 LYS H 3.000 . 3.500 2.557 2.148 3.555 0.055 4 0 "[ . 1 . 2]" 1
278 1 38 LYS H 1 39 LYS H 3.000 . 4.000 2.909 2.004 4.006 0.006 4 0 "[ . 1 . 2]" 1
279 1 38 LYS HA 1 39 LYS H 4.000 . 5.000 2.904 2.141 3.567 . 0 0 "[ . 1 . 2]" 1
280 1 39 LYS HA 1 40 LYS H 3.000 . 3.500 2.483 2.144 3.521 0.021 8 0 "[ . 1 . 2]" 1
281 1 40 LYS H 1 41 LYS H 4.000 . 5.000 3.670 1.979 4.645 . 0 0 "[ . 1 . 2]" 1
282 1 40 LYS HA 1 41 LYS H 3.000 . 3.500 2.667 2.139 3.544 0.044 12 0 "[ . 1 . 2]" 1
283 1 41 LYS QB 1 42 HIS H 3.000 . 4.500 3.104 2.089 4.043 . 0 0 "[ . 1 . 2]" 1
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