NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
630329 |
5zmb   |
36175 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5zmb
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 696
_Distance_constraint_stats_list.Viol_count 748
_Distance_constraint_stats_list.Viol_total 566.026
_Distance_constraint_stats_list.Viol_max 0.978
_Distance_constraint_stats_list.Viol_rms 0.0184
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0378
_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 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLU 0.007 0.007 13 0 "[ . 1 . 2]"
1 4 THR 0.019 0.012 13 0 "[ . 1 . 2]"
1 5 ILE 0.040 0.021 12 0 "[ . 1 . 2]"
1 6 PRO 0.052 0.015 13 0 "[ . 1 . 2]"
1 7 VAL 0.024 0.010 19 0 "[ . 1 . 2]"
1 8 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 VAL 0.910 0.127 20 0 "[ . 1 . 2]"
1 10 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 PHE 0.299 0.021 15 0 "[ . 1 . 2]"
1 17 GLU 0.026 0.012 5 0 "[ . 1 . 2]"
1 18 LEU 0.308 0.030 15 0 "[ . 1 . 2]"
1 19 SER 0.619 0.045 16 0 "[ . 1 . 2]"
1 20 VAL 0.005 0.003 4 0 "[ . 1 . 2]"
1 21 ASP 2.598 0.147 12 0 "[ . 1 . 2]"
1 22 SER 0.499 0.054 7 0 "[ . 1 . 2]"
1 23 ASN 0.976 0.054 7 0 "[ . 1 . 2]"
1 24 HIS 0.065 0.013 15 0 "[ . 1 . 2]"
1 25 THR 0.232 0.028 11 0 "[ . 1 . 2]"
1 26 LEU 0.207 0.022 1 0 "[ . 1 . 2]"
1 27 ARG 0.080 0.029 19 0 "[ . 1 . 2]"
1 28 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 VAL 0.047 0.029 19 0 "[ . 1 . 2]"
1 30 LEU 0.003 0.003 17 0 "[ . 1 . 2]"
1 31 ARG 0.003 0.003 17 0 "[ . 1 . 2]"
1 32 GLN 2.944 0.084 19 0 "[ . 1 . 2]"
1 33 PHE 0.789 0.084 19 0 "[ . 1 . 2]"
1 34 LYS 0.110 0.063 17 0 "[ . 1 . 2]"
1 35 ARG 0.063 0.063 17 0 "[ . 1 . 2]"
1 36 GLU 3.058 0.220 20 0 "[ . 1 . 2]"
1 37 VAL 3.088 0.220 20 0 "[ . 1 . 2]"
1 38 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ALA 0.525 0.034 9 0 "[ . 1 . 2]"
1 40 LEU 0.398 0.034 9 0 "[ . 1 . 2]"
1 41 ASP 0.017 0.013 17 0 "[ . 1 . 2]"
1 42 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ILE 0.736 0.096 17 0 "[ . 1 . 2]"
1 44 ASN 0.819 0.108 17 0 "[ . 1 . 2]"
1 45 LEU 0.035 0.016 2 0 "[ . 1 . 2]"
1 46 GLU 0.051 0.016 2 0 "[ . 1 . 2]"
1 47 GLU 0.113 0.028 17 0 "[ . 1 . 2]"
1 48 TYR 0.253 0.046 13 0 "[ . 1 . 2]"
1 49 VAL 0.003 0.001 10 0 "[ . 1 . 2]"
1 50 VAL 0.105 0.022 1 0 "[ . 1 . 2]"
1 51 ASN 2.477 0.978 7 2 "[ . + - . 2]"
1 52 HIS 4.796 0.202 13 0 "[ . 1 . 2]"
1 53 GLU 0.004 0.004 1 0 "[ . 1 . 2]"
1 54 GLY 0.018 0.009 10 0 "[ . 1 . 2]"
1 55 LYS 0.888 0.086 14 0 "[ . 1 . 2]"
1 56 LEU 0.350 0.096 15 0 "[ . 1 . 2]"
1 57 LEU 3.504 0.978 7 2 "[ . + * . 2]"
1 58 LEU 0.696 0.302 8 0 "[ . 1 . 2]"
1 59 ASP 1.120 0.302 8 0 "[ . 1 . 2]"
1 60 ASP 0.361 0.101 8 0 "[ . 1 . 2]"
1 61 SER 0.012 0.005 5 0 "[ . 1 . 2]"
1 62 VAL 0.094 0.014 5 0 "[ . 1 . 2]"
1 63 THR 0.666 0.054 15 0 "[ . 1 . 2]"
1 64 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLN 1.368 0.079 1 0 "[ . 1 . 2]"
1 66 THR 1.979 0.079 1 0 "[ . 1 . 2]"
1 67 VAL 0.625 0.105 13 0 "[ . 1 . 2]"
1 68 GLY 0.378 0.027 19 0 "[ . 1 . 2]"
1 69 VAL 0.682 0.054 13 0 "[ . 1 . 2]"
1 70 LYS 0.005 0.004 4 0 "[ . 1 . 2]"
1 71 LYS 0.005 0.004 4 0 "[ . 1 . 2]"
1 72 ASP 0.057 0.015 13 0 "[ . 1 . 2]"
1 73 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 VAL 0.627 0.054 13 0 "[ . 1 . 2]"
1 75 PHE 5.047 0.205 18 0 "[ . 1 . 2]"
1 76 VAL 1.419 0.175 8 0 "[ . 1 . 2]"
1 77 LEU 0.013 0.013 8 0 "[ . 1 . 2]"
1 78 VAL 0.183 0.046 13 0 "[ . 1 . 2]"
1 79 ARG 0.038 0.011 8 0 "[ . 1 . 2]"
1 80 LYS 0.034 0.014 16 0 "[ . 1 . 2]"
1 81 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 4 THR HA 1 4 THR MG 3.100 . 4.100 2.084 1.962 2.221 . 0 0 "[ . 1 . 2]" 1
2 1 4 THR HA 1 21 ASP HA 3.600 . 4.600 3.105 2.066 3.518 . 0 0 "[ . 1 . 2]" 1
3 1 4 THR MG 1 19 SER HA 5.000 . 6.000 4.686 3.937 5.261 . 0 0 "[ . 1 . 2]" 1
4 1 4 THR MG 1 19 SER HB2 3.600 . 4.600 3.542 2.523 4.403 . 0 0 "[ . 1 . 2]" 1
5 1 4 THR MG 1 19 SER HB3 3.600 . 4.600 3.338 2.175 4.420 . 0 0 "[ . 1 . 2]" 1
6 1 6 PRO HA 1 19 SER HB2 4.200 . 5.200 3.922 2.563 4.496 . 0 0 "[ . 1 . 2]" 1
7 1 6 PRO HA 1 19 SER HB3 4.200 . 5.200 3.307 2.299 4.787 . 0 0 "[ . 1 . 2]" 1
8 1 6 PRO HA 1 20 VAL QG 5.200 . 6.200 5.071 4.387 5.460 . 0 0 "[ . 1 . 2]" 1
9 1 7 VAL HA 1 72 ASP HA 5.200 . 6.200 4.854 4.182 6.210 0.010 19 0 "[ . 1 . 2]" 1
10 1 8 SER QB 1 15 ARG QD 5.200 . 6.200 5.188 3.893 6.187 . 0 0 "[ . 1 . 2]" 1
11 1 8 SER QB 1 17 GLU HA 4.500 . 5.500 4.183 3.076 4.805 . 0 0 "[ . 1 . 2]" 1
12 1 8 SER QB 1 74 VAL HA 4.200 . 5.200 2.762 2.095 3.356 . 0 0 "[ . 1 . 2]" 1
13 1 8 SER QB 1 74 VAL MG1 4.200 . 5.200 4.462 3.812 4.807 . 0 0 "[ . 1 . 2]" 1
14 1 8 SER QB 1 74 VAL MG2 4.200 . 5.200 2.860 2.180 3.253 . 0 0 "[ . 1 . 2]" 1
15 1 9 VAL HA 1 74 VAL MG2 4.200 . 5.200 3.855 3.124 4.306 . 0 0 "[ . 1 . 2]" 1
16 1 9 VAL HA 1 75 PHE HB2 4.200 . 5.200 3.803 2.937 4.151 . 0 0 "[ . 1 . 2]" 1
17 1 9 VAL HA 1 75 PHE HB3 4.200 . 5.200 5.195 4.336 5.327 0.127 20 0 "[ . 1 . 2]" 1
18 1 9 VAL MG2 1 75 PHE HB2 4.200 . 5.200 3.603 2.139 4.080 . 0 0 "[ . 1 . 2]" 1
19 1 9 VAL MG2 1 75 PHE HB3 4.200 . 5.200 4.837 3.487 5.213 0.013 20 0 "[ . 1 . 2]" 1
20 1 9 VAL HB 1 15 ARG HA 4.900 . 5.900 5.171 4.857 5.632 . 0 0 "[ . 1 . 2]" 1
21 1 10 GLN HA 1 15 ARG HA 4.200 . 5.200 2.627 2.124 2.893 . 0 0 "[ . 1 . 2]" 1
22 1 16 PHE HA 1 16 PHE HD1 4.200 . 5.200 3.481 2.509 4.458 . 0 0 "[ . 1 . 2]" 1
23 1 8 SER HA 1 17 GLU HA 4.200 . 5.200 2.440 2.001 2.712 . 0 0 "[ . 1 . 2]" 1
24 1 18 LEU HA 1 18 LEU MD1 3.600 . 4.600 2.609 2.007 2.798 . 0 0 "[ . 1 . 2]" 1
25 1 18 LEU HA 1 18 LEU MD2 4.200 . 5.200 3.723 3.653 3.885 . 0 0 "[ . 1 . 2]" 1
26 1 18 LEU HA 1 18 LEU HG 4.200 . 5.200 2.386 2.255 2.983 . 0 0 "[ . 1 . 2]" 1
27 1 23 ASN HA 1 63 THR HB 4.500 . 5.500 5.328 4.777 5.513 0.013 13 0 "[ . 1 . 2]" 1
28 1 23 ASN HA 1 63 THR MG 5.000 . 6.000 5.101 4.141 5.748 . 0 0 "[ . 1 . 2]" 1
29 1 23 ASN HB2 1 24 HIS HA 4.500 . 5.500 4.548 4.277 4.609 . 0 0 "[ . 1 . 2]" 1
30 1 24 HIS HA 1 24 HIS HD2 3.600 . 4.600 3.337 2.341 4.377 . 0 0 "[ . 1 . 2]" 1
31 1 24 HIS HA 1 63 THR MG 5.300 . 6.300 4.564 4.040 5.308 . 0 0 "[ . 1 . 2]" 1
32 1 26 LEU HA 1 26 LEU MD2 3.600 . 4.600 2.981 1.953 3.850 . 0 0 "[ . 1 . 2]" 1
33 1 26 LEU HA 1 29 VAL HB 4.200 . 5.200 2.964 2.696 4.170 . 0 0 "[ . 1 . 2]" 1
34 1 26 LEU HA 1 29 VAL MG1 3.600 . 4.600 4.169 1.947 4.437 . 0 0 "[ . 1 . 2]" 1
35 1 26 LEU MD1 1 26 LEU MD2 2.500 . 3.500 2.023 1.962 2.083 . 0 0 "[ . 1 . 2]" 1
36 1 26 LEU MD2 1 50 VAL QG 3.600 . 4.600 4.052 2.982 4.622 0.022 1 0 "[ . 1 . 2]" 1
37 1 26 LEU MD2 1 60 ASP HA 4.200 . 5.200 3.495 2.623 4.803 . 0 0 "[ . 1 . 2]" 1
38 1 26 LEU MD2 1 62 VAL QG 3.600 . 4.600 3.462 2.701 4.082 . 0 0 "[ . 1 . 2]" 1
39 1 26 LEU MD2 1 75 PHE HD2 5.200 . 6.200 5.916 4.829 6.209 0.009 2 0 "[ . 1 . 2]" 1
40 1 28 ASP HA 1 29 VAL HA 4.700 . 5.700 4.796 4.722 4.828 . 0 0 "[ . 1 . 2]" 1
41 1 28 ASP HA 1 31 ARG QD 4.200 . 5.200 3.680 2.549 5.186 . 0 0 "[ . 1 . 2]" 1
42 1 30 LEU HA 1 30 LEU MD2 3.600 . 4.600 3.415 2.125 3.928 . 0 0 "[ . 1 . 2]" 1
43 1 30 LEU HA 1 33 PHE HB2 4.200 . 5.200 3.238 2.323 4.314 . 0 0 "[ . 1 . 2]" 1
44 1 30 LEU HA 1 33 PHE QD 4.200 . 5.200 3.065 2.211 3.684 . 0 0 "[ . 1 . 2]" 1
45 1 18 LEU MD1 1 33 PHE HA 4.200 . 5.200 4.408 3.711 5.048 . 0 0 "[ . 1 . 2]" 1
46 1 18 LEU MD2 1 33 PHE HA 4.200 . 5.200 3.548 2.172 3.837 . 0 0 "[ . 1 . 2]" 1
47 1 33 PHE HA 1 33 PHE QD 4.200 . 5.200 2.414 1.983 2.796 . 0 0 "[ . 1 . 2]" 1
48 1 34 LYS HA 1 34 LYS QE 5.200 . 6.200 4.802 3.936 5.374 . 0 0 "[ . 1 . 2]" 1
49 1 34 LYS QB 1 34 LYS QE 3.900 . 4.900 2.994 2.141 3.669 . 0 0 "[ . 1 . 2]" 1
50 1 16 PHE HB2 1 37 VAL MG2 4.200 . 5.200 4.166 3.239 5.178 . 0 0 "[ . 1 . 2]" 1
51 1 16 PHE HD1 1 37 VAL MG2 4.300 . 5.300 5.039 4.181 5.306 0.006 17 0 "[ . 1 . 2]" 1
52 1 37 VAL MG2 1 39 ALA MB 6.200 . 7.200 5.099 4.856 5.382 . 0 0 "[ . 1 . 2]" 1
53 1 37 VAL MG2 1 40 LEU HB2 4.400 . 5.400 4.651 3.494 5.403 0.003 4 0 "[ . 1 . 2]" 1
54 1 37 VAL MG2 1 40 LEU MD1 4.500 . 5.500 3.690 2.584 5.513 0.013 14 0 "[ . 1 . 2]" 1
55 1 37 VAL MG2 1 40 LEU MD2 4.500 . 5.500 4.402 3.566 5.515 0.015 8 0 "[ . 1 . 2]" 1
56 1 16 PHE HD1 1 39 ALA MB 5.500 . 6.500 6.504 6.500 6.509 0.009 5 0 "[ . 1 . 2]" 1
57 1 16 PHE HD2 1 39 ALA MB 5.500 . 6.500 6.494 6.322 6.506 0.006 9 0 "[ . 1 . 2]" 1
58 1 39 ALA MB 1 40 LEU HA 4.400 . 5.400 4.043 4.008 4.073 . 0 0 "[ . 1 . 2]" 1
59 1 40 LEU HA 1 40 LEU MD1 4.200 . 5.200 3.809 2.016 4.126 . 0 0 "[ . 1 . 2]" 1
60 1 40 LEU HA 1 40 LEU MD2 3.600 . 4.600 3.081 2.149 3.638 . 0 0 "[ . 1 . 2]" 1
61 1 40 LEU HA 1 40 LEU HG 4.200 . 5.200 3.534 2.803 3.696 . 0 0 "[ . 1 . 2]" 1
62 1 40 LEU HA 1 42 PRO QD 4.200 . 5.200 4.187 4.180 4.194 . 0 0 "[ . 1 . 2]" 1
63 1 40 LEU HA 1 42 PRO QG 5.700 . 6.700 5.998 5.990 6.005 . 0 0 "[ . 1 . 2]" 1
64 1 42 PRO HA 1 42 PRO HD2 4.200 . 5.200 4.099 4.098 4.099 . 0 0 "[ . 1 . 2]" 1
65 1 42 PRO HA 1 42 PRO HD3 4.200 . 5.200 3.602 3.601 3.602 . 0 0 "[ . 1 . 2]" 1
66 1 43 ILE HA 1 43 ILE MD 4.100 . 5.100 3.606 2.051 4.168 . 0 0 "[ . 1 . 2]" 1
67 1 43 ILE MD 1 48 TYR QD 4.200 . 5.200 4.087 1.947 5.206 0.006 16 0 "[ . 1 . 2]" 1
68 1 43 ILE MD 1 48 TYR QE 4.600 . 5.600 3.770 2.208 5.607 0.007 4 0 "[ . 1 . 2]" 1
69 1 44 ASN HA 1 45 LEU HA 4.200 . 5.200 4.346 4.297 4.417 . 0 0 "[ . 1 . 2]" 1
70 1 44 ASN HB2 1 47 GLU QG 4.200 . 5.200 2.823 1.907 5.098 . 0 0 "[ . 1 . 2]" 1
71 1 44 ASN HB3 1 47 GLU QG 4.200 . 5.200 2.499 1.983 4.485 . 0 0 "[ . 1 . 2]" 1
72 1 45 LEU HA 1 48 TYR QD 4.200 . 5.200 3.324 2.251 3.734 . 0 0 "[ . 1 . 2]" 1
73 1 45 LEU HA 1 48 TYR QE 4.200 . 5.200 3.310 2.696 4.814 . 0 0 "[ . 1 . 2]" 1
74 1 48 TYR HA 1 48 TYR QD 4.200 . 5.200 3.138 1.995 3.740 . 0 0 "[ . 1 . 2]" 1
75 1 48 TYR HA 1 48 TYR QE 5.600 . 6.600 5.179 4.299 5.656 . 0 0 "[ . 1 . 2]" 1
76 1 48 TYR HA 1 79 ARG HA 3.600 . 4.600 3.399 2.182 4.322 . 0 0 "[ . 1 . 2]" 1
77 1 48 TYR HA 1 79 ARG QD 5.600 . 6.600 5.855 4.702 6.605 0.005 15 0 "[ . 1 . 2]" 1
78 1 49 VAL HA 1 49 VAL MG1 3.100 . 4.100 2.473 2.208 3.201 . 0 0 "[ . 1 . 2]" 1
79 1 51 ASN HA 1 56 LEU HA 3.600 . 4.600 2.763 2.413 3.038 . 0 0 "[ . 1 . 2]" 1
80 1 51 ASN HA 1 56 LEU HB3 4.700 . 5.700 5.026 2.884 5.539 . 0 0 "[ . 1 . 2]" 1
81 1 51 ASN HA 1 56 LEU MD2 4.200 . 5.200 3.953 3.046 4.306 . 0 0 "[ . 1 . 2]" 1
82 1 51 ASN HA 1 56 LEU QD 3.600 . 4.600 3.598 2.808 4.065 . 0 0 "[ . 1 . 2]" 1
83 1 51 ASN HA 1 57 LEU HB2 5.200 . 6.200 5.379 4.128 7.178 0.978 7 2 "[ . + - . 2]" 1
84 1 51 ASN HB2 1 56 LEU MD2 4.200 . 5.200 4.204 2.328 4.902 . 0 0 "[ . 1 . 2]" 1
85 1 51 ASN HB3 1 56 LEU MD2 4.200 . 5.200 3.303 2.237 4.012 . 0 0 "[ . 1 . 2]" 1
86 1 51 ASN HB2 1 56 LEU QD 4.200 . 5.200 3.195 2.267 3.966 . 0 0 "[ . 1 . 2]" 1
87 1 51 ASN HB3 1 56 LEU QD 4.200 . 5.200 2.664 1.885 3.356 . 0 0 "[ . 1 . 2]" 1
88 1 52 HIS HA 1 56 LEU MD2 6.900 . 7.900 7.479 6.407 7.902 0.002 19 0 "[ . 1 . 2]" 1
89 1 52 HIS HA 1 56 LEU QD 6.900 . 7.900 6.596 5.770 7.266 . 0 0 "[ . 1 . 2]" 1
90 1 52 HIS HA 1 75 PHE HD1 4.200 . 5.200 5.320 5.228 5.402 0.202 13 0 "[ . 1 . 2]" 1
91 1 52 HIS HA 1 75 PHE HD2 4.200 . 5.200 2.496 2.035 3.291 . 0 0 "[ . 1 . 2]" 1
92 1 56 LEU HA 1 56 LEU MD2 3.600 . 4.600 2.970 2.428 3.413 . 0 0 "[ . 1 . 2]" 1
93 1 56 LEU HA 1 56 LEU QD 3.600 . 4.600 2.743 1.910 3.255 . 0 0 "[ . 1 . 2]" 1
94 1 26 LEU HA 1 60 ASP HA 5.100 . 6.100 5.262 4.848 5.735 . 0 0 "[ . 1 . 2]" 1
95 1 26 LEU HB2 1 60 ASP HA 3.600 . 4.600 3.170 2.512 3.706 . 0 0 "[ . 1 . 2]" 1
96 1 26 LEU MD1 1 60 ASP HA 3.900 . 4.900 3.998 2.915 4.555 . 0 0 "[ . 1 . 2]" 1
97 1 61 SER HA 1 63 THR MG 5.300 . 6.300 5.507 5.107 6.297 . 0 0 "[ . 1 . 2]" 1
98 1 62 VAL HA 1 62 VAL QG 3.100 . 4.100 2.230 2.142 2.329 . 0 0 "[ . 1 . 2]" 1
99 1 62 VAL HB 1 63 THR MG 4.500 . 5.500 4.522 3.856 4.819 . 0 0 "[ . 1 . 2]" 1
100 1 63 THR MG 1 66 THR HA 3.800 . 4.800 4.831 4.822 4.854 0.054 15 0 "[ . 1 . 2]" 1
101 1 65 GLN HA 1 65 GLN QG 3.600 . 4.600 2.232 2.026 2.387 . 0 0 "[ . 1 . 2]" 1
102 1 66 THR HA 1 66 THR MG 3.100 . 4.100 2.381 2.338 2.428 . 0 0 "[ . 1 . 2]" 1
103 1 62 VAL HB 1 66 THR HB 4.200 . 5.200 2.450 2.085 2.987 . 0 0 "[ . 1 . 2]" 1
104 1 62 VAL QG 1 66 THR HB 3.700 . 4.700 3.316 2.795 3.726 . 0 0 "[ . 1 . 2]" 1
105 1 66 THR MG 1 67 VAL HA 4.200 . 5.200 3.422 3.284 3.758 . 0 0 "[ . 1 . 2]" 1
106 1 69 VAL HA 1 70 LYS HB2 4.200 . 5.200 4.227 4.117 4.418 . 0 0 "[ . 1 . 2]" 1
107 1 69 VAL HA 1 70 LYS QG 5.200 . 6.200 4.817 4.189 5.429 . 0 0 "[ . 1 . 2]" 1
108 1 69 VAL HA 1 75 PHE HD2 4.900 . 5.900 5.907 5.849 5.954 0.054 13 0 "[ . 1 . 2]" 1
109 1 69 VAL HA 1 75 PHE QE 4.200 . 5.200 4.836 3.806 5.203 0.003 10 0 "[ . 1 . 2]" 1
110 1 7 VAL HA 1 69 VAL QG 5.100 . 6.100 4.849 3.596 5.421 . 0 0 "[ . 1 . 2]" 1
111 1 70 LYS HA 1 70 LYS QG 3.100 . 4.100 2.145 2.010 2.292 . 0 0 "[ . 1 . 2]" 1
112 1 70 LYS HA 1 70 LYS QE 4.600 . 5.600 4.104 3.328 4.670 . 0 0 "[ . 1 . 2]" 1
113 1 70 LYS HB2 1 70 LYS QE 4.200 . 5.200 3.620 2.323 4.322 . 0 0 "[ . 1 . 2]" 1
114 1 74 VAL MG2 1 75 PHE HA 4.200 . 5.200 3.552 3.511 3.839 . 0 0 "[ . 1 . 2]" 1
115 1 75 PHE HA 1 75 PHE HD1 4.200 . 5.200 4.467 4.273 4.629 . 0 0 "[ . 1 . 2]" 1
116 1 75 PHE HA 1 75 PHE HD2 4.200 . 5.200 3.264 1.976 3.646 . 0 0 "[ . 1 . 2]" 1
117 1 75 PHE HA 1 76 VAL QG 4.200 . 5.200 3.508 3.311 3.772 . 0 0 "[ . 1 . 2]" 1
118 1 48 TYR QD 1 79 ARG HA 4.500 . 5.500 3.798 1.992 4.998 . 0 0 "[ . 1 . 2]" 1
119 1 48 TYR QE 1 79 ARG HA 6.000 . 7.000 5.470 3.306 7.011 0.011 8 0 "[ . 1 . 2]" 1
120 1 79 ARG HA 1 79 ARG QD 4.400 . 5.400 3.817 2.781 4.359 . 0 0 "[ . 1 . 2]" 1
121 1 1 MET HA 1 2 SER H 2.500 . 3.500 2.662 2.145 3.500 . 0 0 "[ . 1 . 2]" 1
122 1 2 SER H 1 2 SER QB 2.500 . 3.500 2.823 2.235 3.430 . 0 0 "[ . 1 . 2]" 1
123 1 2 SER QB 1 3 GLU H 2.700 . 3.700 2.680 2.018 3.499 . 0 0 "[ . 1 . 2]" 1
124 1 3 GLU H 1 4 THR MG 4.500 . 5.500 4.863 3.931 5.507 0.007 13 0 "[ . 1 . 2]" 1
125 1 3 GLU HA 1 4 THR H 2.500 . 3.500 2.436 2.142 2.970 . 0 0 "[ . 1 . 2]" 1
126 1 3 GLU HB2 1 4 THR H 3.800 . 4.800 4.393 2.981 4.653 . 0 0 "[ . 1 . 2]" 1
127 1 3 GLU HB3 1 4 THR H 3.800 . 4.800 4.098 2.115 4.454 . 0 0 "[ . 1 . 2]" 1
128 1 3 GLU H 1 4 THR H 3.600 . 4.600 3.460 2.222 4.580 . 0 0 "[ . 1 . 2]" 1
129 1 4 THR H 1 4 THR HA 2.500 . 3.500 2.922 2.918 2.946 . 0 0 "[ . 1 . 2]" 1
130 1 4 THR H 1 4 THR HB 2.500 . 3.500 3.267 2.908 3.512 0.012 13 0 "[ . 1 . 2]" 1
131 1 4 THR H 1 5 ILE H 4.500 . 5.500 4.556 4.360 4.573 . 0 0 "[ . 1 . 2]" 1
132 1 4 THR HA 1 5 ILE H 2.500 . 3.500 2.245 2.144 2.257 . 0 0 "[ . 1 . 2]" 1
133 1 4 THR MG 1 5 ILE H 2.500 . 3.500 2.840 2.162 3.277 . 0 0 "[ . 1 . 2]" 1
134 1 5 ILE H 1 20 VAL H 3.200 . 4.200 3.217 2.783 4.140 . 0 0 "[ . 1 . 2]" 1
135 1 5 ILE H 1 21 ASP HA 3.600 . 4.600 3.399 2.602 3.738 . 0 0 "[ . 1 . 2]" 1
136 1 5 ILE H 1 21 ASP HB3 4.900 . 5.900 5.676 4.829 5.921 0.021 12 0 "[ . 1 . 2]" 1
137 1 5 ILE H 1 22 SER H 4.500 . 5.500 4.884 3.443 5.357 . 0 0 "[ . 1 . 2]" 1
138 1 6 PRO HA 1 7 VAL H 2.500 . 3.500 2.211 2.151 2.385 . 0 0 "[ . 1 . 2]" 1
139 1 6 PRO QB 1 7 VAL H 2.500 . 3.500 3.124 2.574 3.506 0.006 18 0 "[ . 1 . 2]" 1
140 1 6 PRO QG 1 7 VAL H 4.600 . 5.600 4.544 4.193 4.730 . 0 0 "[ . 1 . 2]" 1
141 1 7 VAL H 1 7 VAL QG 2.500 . 3.500 2.348 2.081 2.809 . 0 0 "[ . 1 . 2]" 1
142 1 7 VAL H 1 8 SER HA 4.700 . 5.700 4.837 4.665 4.956 . 0 0 "[ . 1 . 2]" 1
143 1 7 VAL H 1 8 SER QB 5.400 . 6.400 5.478 4.807 5.937 . 0 0 "[ . 1 . 2]" 1
144 1 7 VAL H 1 8 SER H 4.300 . 5.300 4.425 4.353 4.491 . 0 0 "[ . 1 . 2]" 1
145 1 7 VAL H 1 17 GLU HA 5.200 . 6.200 5.082 4.466 5.496 . 0 0 "[ . 1 . 2]" 1
146 1 7 VAL H 1 18 LEU HA 4.900 . 5.900 4.873 4.767 5.089 . 0 0 "[ . 1 . 2]" 1
147 1 7 VAL H 1 18 LEU MD2 5.400 . 6.400 6.111 5.835 6.406 0.006 20 0 "[ . 1 . 2]" 1
148 1 7 VAL H 1 19 SER H 4.700 . 5.700 4.852 4.685 5.112 . 0 0 "[ . 1 . 2]" 1
149 1 7 VAL HA 1 8 SER H 2.500 . 3.500 2.289 2.282 2.291 . 0 0 "[ . 1 . 2]" 1
150 1 7 VAL HB 1 8 SER H 3.600 . 4.600 2.992 2.665 3.955 . 0 0 "[ . 1 . 2]" 1
151 1 8 SER H 1 8 SER QB 3.600 . 4.600 2.750 2.461 3.184 . 0 0 "[ . 1 . 2]" 1
152 1 8 SER H 1 74 VAL HA 3.600 . 4.600 3.190 2.911 3.362 . 0 0 "[ . 1 . 2]" 1
153 1 8 SER H 1 74 VAL MG2 4.100 . 5.100 4.734 4.418 5.015 . 0 0 "[ . 1 . 2]" 1
154 1 8 SER H 1 75 PHE H 4.200 . 5.200 4.243 3.938 4.431 . 0 0 "[ . 1 . 2]" 1
155 1 8 SER HA 1 9 VAL H 2.200 . 3.200 2.197 2.179 2.270 . 0 0 "[ . 1 . 2]" 1
156 1 8 SER QB 1 9 VAL H 3.000 . 4.000 3.180 2.834 3.623 . 0 0 "[ . 1 . 2]" 1
157 1 9 VAL H 1 9 VAL MG2 3.600 . 4.600 2.830 2.708 3.027 . 0 0 "[ . 1 . 2]" 1
158 1 9 VAL H 1 10 GLN HA 4.600 . 5.600 4.789 4.715 4.861 . 0 0 "[ . 1 . 2]" 1
159 1 9 VAL H 1 17 GLU HA 3.600 . 4.600 3.057 2.635 3.448 . 0 0 "[ . 1 . 2]" 1
160 1 9 VAL H 1 33 PHE QD 5.700 . 6.700 5.789 4.455 6.606 . 0 0 "[ . 1 . 2]" 1
161 1 9 VAL H 1 33 PHE QE 4.500 . 5.500 4.937 3.298 5.513 0.013 19 0 "[ . 1 . 2]" 1
162 1 9 VAL MG1 1 10 GLN H 3.100 . 4.100 2.246 2.057 2.582 . 0 0 "[ . 1 . 2]" 1
163 1 9 VAL MG2 1 10 GLN H 3.600 . 4.600 4.037 3.843 4.085 . 0 0 "[ . 1 . 2]" 1
164 1 9 VAL HB 1 11 CYS H 5.300 . 6.300 5.889 5.792 6.190 . 0 0 "[ . 1 . 2]" 1
165 1 9 VAL MG1 1 11 CYS H 4.700 . 5.700 4.582 4.233 4.713 . 0 0 "[ . 1 . 2]" 1
166 1 10 GLN HA 1 11 CYS H 2.500 . 3.500 2.189 2.185 2.220 . 0 0 "[ . 1 . 2]" 1
167 1 10 GLN HB2 1 11 CYS H 3.600 . 4.600 4.304 4.079 4.383 . 0 0 "[ . 1 . 2]" 1
168 1 10 GLN HB3 1 11 CYS H 3.600 . 4.600 3.367 3.065 3.959 . 0 0 "[ . 1 . 2]" 1
169 1 11 CYS H 1 14 GLY H 3.600 . 4.400 3.503 3.408 3.701 . 0 0 "[ . 1 . 2]" 1
170 1 13 GLU H 1 13 GLU QG 3.600 . 4.600 3.601 2.606 4.108 . 0 0 "[ . 1 . 2]" 1
171 1 13 GLU H 1 14 GLY H . . 3.500 2.253 2.211 2.344 . 0 0 "[ . 1 . 2]" 1
172 1 10 GLN HA 1 14 GLY H 5.200 . 6.200 5.568 5.472 5.772 . 0 0 "[ . 1 . 2]" 1
173 1 13 GLU HA 1 14 GLY H 3.200 . 4.200 3.447 3.446 3.448 . 0 0 "[ . 1 . 2]" 1
174 1 13 GLU HB3 1 14 GLY H 3.600 . 4.600 3.404 3.070 3.941 . 0 0 "[ . 1 . 2]" 1
175 1 13 GLU QG 1 14 GLY H 4.200 . 5.200 4.486 4.261 4.759 . 0 0 "[ . 1 . 2]" 1
176 1 14 GLY H 1 14 GLY HA2 2.500 . 3.500 2.736 2.705 2.778 . 0 0 "[ . 1 . 2]" 1
177 1 14 GLY H 1 15 ARG HA 4.600 . 5.600 4.646 4.526 4.705 . 0 0 "[ . 1 . 2]" 1
178 1 14 GLY H 1 15 ARG QB 5.200 . 6.200 5.431 5.146 5.682 . 0 0 "[ . 1 . 2]" 1
179 1 14 GLY HA2 1 15 ARG H 3.600 . 4.600 2.703 2.382 3.203 . 0 0 "[ . 1 . 2]" 1
180 1 14 GLY HA3 1 15 ARG H 3.600 . 4.600 2.453 2.141 2.763 . 0 0 "[ . 1 . 2]" 1
181 1 15 ARG H 1 15 ARG QB 3.600 . 4.600 2.755 2.291 3.198 . 0 0 "[ . 1 . 2]" 1
182 1 15 ARG HA 1 16 PHE H 2.500 . 3.500 2.224 2.146 2.259 . 0 0 "[ . 1 . 2]" 1
183 1 15 ARG QB 1 16 PHE H 3.600 . 4.600 3.061 2.749 3.702 . 0 0 "[ . 1 . 2]" 1
184 1 16 PHE H 1 16 PHE HB3 3.600 . 4.600 3.171 2.865 3.688 . 0 0 "[ . 1 . 2]" 1
185 1 16 PHE H 1 16 PHE HD1 4.100 . 5.100 4.833 4.159 5.121 0.021 15 0 "[ . 1 . 2]" 1
186 1 16 PHE H 1 16 PHE HD2 4.500 . 5.500 4.951 4.067 5.520 0.020 2 0 "[ . 1 . 2]" 1
187 1 8 SER HA 1 17 GLU H 5.200 . 6.200 5.089 4.794 5.306 . 0 0 "[ . 1 . 2]" 1
188 1 9 VAL HB 1 17 GLU H 5.100 . 6.100 5.782 5.408 6.112 0.012 5 0 "[ . 1 . 2]" 1
189 1 16 PHE HA 1 17 GLU H 2.500 . 3.500 2.173 2.143 2.247 . 0 0 "[ . 1 . 2]" 1
190 1 16 PHE HB2 1 17 GLU H 3.800 . 4.800 4.351 4.170 4.500 . 0 0 "[ . 1 . 2]" 1
191 1 16 PHE HB3 1 17 GLU H 3.800 . 4.800 3.753 3.325 4.032 . 0 0 "[ . 1 . 2]" 1
192 1 16 PHE HD1 1 17 GLU H 3.600 . 4.600 4.225 2.898 4.607 0.007 17 0 "[ . 1 . 2]" 1
193 1 17 GLU H 1 17 GLU QB 2.500 . 3.500 2.852 2.511 3.014 . 0 0 "[ . 1 . 2]" 1
194 1 6 PRO QB 1 18 LEU H 5.000 . 6.000 5.397 4.968 5.747 . 0 0 "[ . 1 . 2]" 1
195 1 8 SER HA 1 18 LEU H 3.600 . 4.600 3.514 3.006 3.964 . 0 0 "[ . 1 . 2]" 1
196 1 9 VAL HB 1 18 LEU H 5.200 . 6.200 6.068 5.544 6.219 0.019 5 0 "[ . 1 . 2]" 1
197 1 17 GLU HA 1 18 LEU H 2.500 . 3.500 2.273 2.214 2.290 . 0 0 "[ . 1 . 2]" 1
198 1 18 LEU H 1 18 LEU MD2 4.700 . 5.700 4.801 4.597 4.889 . 0 0 "[ . 1 . 2]" 1
199 1 18 LEU H 1 19 SER HA 4.500 . 5.500 4.695 4.634 4.791 . 0 0 "[ . 1 . 2]" 1
200 1 18 LEU H 1 19 SER QB 5.100 . 6.100 5.481 5.031 5.738 . 0 0 "[ . 1 . 2]" 1
201 1 18 LEU H 1 19 SER H 4.200 . 5.200 4.392 4.371 4.414 . 0 0 "[ . 1 . 2]" 1
202 1 18 LEU HB2 1 19 SER H 3.000 . 4.000 3.974 3.919 4.030 0.030 15 0 "[ . 1 . 2]" 1
203 1 18 LEU MD1 1 19 SER H 3.100 . 4.100 3.798 2.535 4.103 0.003 18 0 "[ . 1 . 2]" 1
204 1 18 LEU MD2 1 19 SER H 3.600 . 4.600 3.324 3.030 3.852 . 0 0 "[ . 1 . 2]" 1
205 1 19 SER H 1 19 SER HB2 2.500 . 3.500 3.092 2.560 3.452 . 0 0 "[ . 1 . 2]" 1
206 1 4 THR HB 1 20 VAL H 5.400 . 6.400 5.723 5.268 6.272 . 0 0 "[ . 1 . 2]" 1
207 1 4 THR MG 1 20 VAL H 4.000 . 5.000 4.300 3.455 4.822 . 0 0 "[ . 1 . 2]" 1
208 1 19 SER HA 1 20 VAL H 2.500 . 3.500 2.162 2.141 2.260 . 0 0 "[ . 1 . 2]" 1
209 1 19 SER HB2 1 20 VAL H 3.600 . 4.600 3.933 3.355 4.512 . 0 0 "[ . 1 . 2]" 1
210 1 19 SER HB3 1 20 VAL H 3.600 . 4.600 3.619 3.127 4.408 . 0 0 "[ . 1 . 2]" 1
211 1 19 SER H 1 20 VAL H 4.200 . 5.200 4.298 4.227 4.450 . 0 0 "[ . 1 . 2]" 1
212 1 20 VAL H 1 20 VAL HB 3.600 . 4.600 3.482 2.946 3.951 . 0 0 "[ . 1 . 2]" 1
213 1 20 VAL H 1 20 VAL QG 2.500 . 3.500 2.355 2.186 2.760 . 0 0 "[ . 1 . 2]" 1
214 1 20 VAL H 1 21 ASP H 4.300 . 5.300 4.376 4.365 4.402 . 0 0 "[ . 1 . 2]" 1
215 1 20 VAL HA 1 21 ASP H 3.600 . 4.600 2.297 2.281 2.409 . 0 0 "[ . 1 . 2]" 1
216 1 20 VAL QG 1 21 ASP H 2.500 . 3.500 2.523 1.882 3.272 . 0 0 "[ . 1 . 2]" 1
217 1 21 ASP H 1 21 ASP HB2 2.500 . 3.500 2.454 2.419 2.522 . 0 0 "[ . 1 . 2]" 1
218 1 21 ASP H 1 21 ASP HB3 2.500 . 3.500 3.615 3.598 3.647 0.147 12 0 "[ . 1 . 2]" 1
219 1 21 ASP H 1 22 SER H 4.500 . 5.500 4.582 4.550 4.599 . 0 0 "[ . 1 . 2]" 1
220 1 4 THR HA 1 22 SER H 4.200 . 5.200 4.834 3.349 5.138 . 0 0 "[ . 1 . 2]" 1
221 1 4 THR MG 1 22 SER H 6.000 . 7.000 5.978 4.278 6.271 . 0 0 "[ . 1 . 2]" 1
222 1 21 ASP HA 1 22 SER H 2.500 . 3.500 2.206 2.202 2.211 . 0 0 "[ . 1 . 2]" 1
223 1 21 ASP HB2 1 22 SER H 3.600 . 4.600 4.043 3.988 4.074 . 0 0 "[ . 1 . 2]" 1
224 1 21 ASP HB3 1 22 SER H 3.600 . 4.600 2.998 2.984 3.010 . 0 0 "[ . 1 . 2]" 1
225 1 22 SER H 1 22 SER HB3 2.500 . 3.500 2.854 2.312 3.540 0.040 15 0 "[ . 1 . 2]" 1
226 1 22 SER H 1 23 ASN H 3.800 . 4.800 4.534 4.523 4.538 . 0 0 "[ . 1 . 2]" 1
227 1 22 SER H 1 24 HIS H 5.400 . 6.400 6.097 5.948 6.133 . 0 0 "[ . 1 . 2]" 1
228 1 21 ASP HA 1 23 ASN H 5.300 . 6.300 6.048 6.018 6.056 . 0 0 "[ . 1 . 2]" 1
229 1 21 ASP HB2 1 23 ASN H 4.900 . 5.900 5.902 5.789 5.935 0.035 16 0 "[ . 1 . 2]" 1
230 1 21 ASP HB3 1 23 ASN H 4.900 . 5.900 5.769 5.701 5.835 . 0 0 "[ . 1 . 2]" 1
231 1 22 SER HA 1 23 ASN H 3.600 . 4.600 2.162 2.156 2.164 . 0 0 "[ . 1 . 2]" 1
232 1 22 SER HB3 1 23 ASN H 3.700 . 4.700 3.873 3.267 4.277 . 0 0 "[ . 1 . 2]" 1
233 1 23 ASN H 1 23 ASN HA 2.700 . 3.700 2.803 2.777 2.810 . 0 0 "[ . 1 . 2]" 1
234 1 23 ASN H 1 23 ASN QB 2.800 . 3.800 3.342 3.319 3.467 . 0 0 "[ . 1 . 2]" 1
235 1 23 ASN H 1 23 ASN HD22 3.600 . 4.600 3.774 3.738 3.855 . 0 0 "[ . 1 . 2]" 1
236 1 23 ASN H 1 24 HIS HB2 4.100 . 5.100 4.182 3.995 4.318 . 0 0 "[ . 1 . 2]" 1
237 1 23 ASN H 1 24 HIS HB3 4.200 . 5.200 5.101 4.869 5.209 0.009 15 0 "[ . 1 . 2]" 1
238 1 23 ASN H 1 24 HIS H 2.500 . 3.500 2.034 1.870 2.098 . 0 0 "[ . 1 . 2]" 1
239 1 22 SER HB3 1 23 ASN HD21 5.500 . 6.500 5.038 4.803 6.527 0.027 12 0 "[ . 1 . 2]" 1
240 1 22 SER HB3 1 23 ASN HD22 5.500 . 6.500 6.503 6.404 6.554 0.054 7 0 "[ . 1 . 2]" 1
241 1 23 ASN HA 1 23 ASN HD21 3.700 . 4.700 3.819 3.792 3.902 . 0 0 "[ . 1 . 2]" 1
242 1 23 ASN HA 1 23 ASN HD22 4.000 . 5.000 4.990 4.967 5.012 0.012 17 0 "[ . 1 . 2]" 1
243 1 23 ASN QB 1 23 ASN HD21 2.400 . 3.400 2.388 2.348 2.455 . 0 0 "[ . 1 . 2]" 1
244 1 23 ASN QB 1 23 ASN HD22 2.500 . 3.500 3.351 3.338 3.373 . 0 0 "[ . 1 . 2]" 1
245 1 23 ASN H 1 23 ASN HD21 3.600 . 4.600 2.770 2.640 3.228 . 0 0 "[ . 1 . 2]" 1
246 1 21 ASP HB3 1 24 HIS H 5.600 . 6.600 6.570 6.390 6.613 0.013 15 0 "[ . 1 . 2]" 1
247 1 21 ASP H 1 24 HIS H 6.200 . 7.200 7.045 6.762 7.195 . 0 0 "[ . 1 . 2]" 1
248 1 22 SER HA 1 24 HIS H 3.700 . 4.700 3.816 3.626 3.858 . 0 0 "[ . 1 . 2]" 1
249 1 23 ASN QB 1 24 HIS H 3.700 . 4.700 3.359 3.326 3.438 . 0 0 "[ . 1 . 2]" 1
250 1 23 ASN HD22 1 24 HIS H 3.600 . 4.600 3.005 2.977 3.054 . 0 0 "[ . 1 . 2]" 1
251 1 24 HIS H 1 24 HIS HA 2.800 . 3.800 2.921 2.911 2.939 . 0 0 "[ . 1 . 2]" 1
252 1 24 HIS H 1 24 HIS HB2 2.200 . 3.200 2.220 2.177 2.336 . 0 0 "[ . 1 . 2]" 1
253 1 24 HIS H 1 24 HIS HB3 2.500 . 3.500 3.333 3.130 3.500 0.000 15 0 "[ . 1 . 2]" 1
254 1 24 HIS H 1 25 THR H 4.400 . 5.400 4.531 4.505 4.543 . 0 0 "[ . 1 . 2]" 1
255 1 24 HIS H 1 63 THR HB 5.200 . 6.200 5.532 4.726 6.198 . 0 0 "[ . 1 . 2]" 1
256 1 23 ASN HD22 1 25 THR H 6.100 . 7.100 7.085 6.789 7.128 0.028 11 0 "[ . 1 . 2]" 1
257 1 24 HIS HA 1 25 THR H 2.400 . 3.400 2.506 2.498 2.519 . 0 0 "[ . 1 . 2]" 1
258 1 24 HIS HB2 1 25 THR H 3.100 . 4.100 3.831 3.716 3.886 . 0 0 "[ . 1 . 2]" 1
259 1 25 THR H 1 25 THR MG 2.500 . 3.500 2.143 1.958 3.139 . 0 0 "[ . 1 . 2]" 1
260 1 25 THR H 1 26 LEU H 4.500 . 4.900 4.573 4.558 4.602 . 0 0 "[ . 1 . 2]" 1
261 1 25 THR H 1 28 ASP HB2 3.800 . 4.800 4.102 3.715 4.358 . 0 0 "[ . 1 . 2]" 1
262 1 25 THR H 1 28 ASP HB3 3.800 . 4.800 4.196 3.817 4.684 . 0 0 "[ . 1 . 2]" 1
263 1 26 LEU H 1 26 LEU MD2 3.600 . 4.600 4.002 3.313 4.458 . 0 0 "[ . 1 . 2]" 1
264 1 26 LEU H 1 62 VAL H 4.200 . 5.200 4.215 3.859 4.493 . 0 0 "[ . 1 . 2]" 1
265 1 26 LEU H 1 63 THR HA 2.800 . 3.800 3.069 2.488 3.524 . 0 0 "[ . 1 . 2]" 1
266 1 26 LEU HB3 1 27 ARG H 3.100 . 4.100 2.942 2.770 3.078 . 0 0 "[ . 1 . 2]" 1
267 1 26 LEU MD2 1 27 ARG H 4.500 . 5.500 4.538 4.013 4.819 . 0 0 "[ . 1 . 2]" 1
268 1 26 LEU H 1 27 ARG H 3.100 . 4.100 2.751 2.733 2.774 . 0 0 "[ . 1 . 2]" 1
269 1 27 ARG H 1 27 ARG HA 2.700 . 3.700 2.762 2.759 2.779 . 0 0 "[ . 1 . 2]" 1
270 1 27 ARG H 1 27 ARG HB3 2.500 . 3.500 3.236 2.706 3.452 . 0 0 "[ . 1 . 2]" 1
271 1 27 ARG H 1 27 ARG QD 4.500 . 5.500 4.380 3.427 4.761 . 0 0 "[ . 1 . 2]" 1
272 1 27 ARG H 1 28 ASP H 3.100 . 4.100 2.772 2.709 2.841 . 0 0 "[ . 1 . 2]" 1
273 1 27 ARG H 1 60 ASP HA 3.600 . 4.600 4.253 3.567 4.614 0.014 19 0 "[ . 1 . 2]" 1
274 1 27 ARG H 1 60 ASP HB2 3.100 . 4.100 3.669 2.433 4.071 . 0 0 "[ . 1 . 2]" 1
275 1 27 ARG H 1 60 ASP HB3 3.100 . 4.100 3.002 2.280 4.106 0.006 5 0 "[ . 1 . 2]" 1
276 1 26 LEU H 1 28 ASP H 4.600 . 5.600 4.427 4.291 4.595 . 0 0 "[ . 1 . 2]" 1
277 1 27 ARG HA 1 28 ASP H 3.500 . 4.500 3.505 3.482 3.546 . 0 0 "[ . 1 . 2]" 1
278 1 27 ARG QD 1 28 ASP H 4.500 . 5.500 4.789 3.889 5.272 . 0 0 "[ . 1 . 2]" 1
279 1 28 ASP H 1 28 ASP HA 2.800 . 3.800 2.856 2.828 2.873 . 0 0 "[ . 1 . 2]" 1
280 1 28 ASP H 1 28 ASP HB2 2.500 . 3.500 2.708 2.344 2.887 . 0 0 "[ . 1 . 2]" 1
281 1 28 ASP H 1 28 ASP HB3 2.500 . 3.500 2.416 2.280 2.786 . 0 0 "[ . 1 . 2]" 1
282 1 28 ASP H 1 29 VAL HB 4.600 . 5.600 4.862 4.728 5.233 . 0 0 "[ . 1 . 2]" 1
283 1 28 ASP H 1 30 LEU H 3.600 . 4.600 4.049 3.787 4.307 . 0 0 "[ . 1 . 2]" 1
284 1 27 ARG HA 1 29 VAL H 3.900 . 4.900 4.705 4.657 4.752 . 0 0 "[ . 1 . 2]" 1
285 1 27 ARG HB2 1 29 VAL H 4.700 . 5.700 5.634 5.421 5.729 0.029 19 0 "[ . 1 . 2]" 1
286 1 28 ASP HA 1 29 VAL H 3.600 . 4.600 3.553 3.552 3.558 . 0 0 "[ . 1 . 2]" 1
287 1 28 ASP HB2 1 29 VAL H 3.600 . 4.600 3.865 3.575 3.953 . 0 0 "[ . 1 . 2]" 1
288 1 28 ASP HB3 1 29 VAL H 3.600 . 4.600 2.525 2.449 2.589 . 0 0 "[ . 1 . 2]" 1
289 1 28 ASP H 1 29 VAL H 3.100 . 4.100 2.586 2.530 2.674 . 0 0 "[ . 1 . 2]" 1
290 1 29 VAL H 1 29 VAL HB 2.500 . 3.500 2.631 2.574 2.695 . 0 0 "[ . 1 . 2]" 1
291 1 29 VAL H 1 29 VAL MG1 3.500 . 4.500 3.669 1.919 3.766 . 0 0 "[ . 1 . 2]" 1
292 1 27 ARG QG 1 30 LEU H 5.100 . 6.100 5.467 5.172 5.707 . 0 0 "[ . 1 . 2]" 1
293 1 29 VAL HB 1 30 LEU H 3.100 . 4.100 2.607 2.338 4.056 . 0 0 "[ . 1 . 2]" 1
294 1 30 LEU H 1 30 LEU HB2 2.500 . 3.500 2.293 2.041 2.776 . 0 0 "[ . 1 . 2]" 1
295 1 30 LEU H 1 31 ARG QD 6.000 . 7.000 6.377 5.297 7.003 0.003 17 0 "[ . 1 . 2]" 1
296 1 30 LEU H 1 31 ARG H 3.100 . 4.100 2.578 2.541 2.711 . 0 0 "[ . 1 . 2]" 1
297 1 30 LEU H 1 32 GLN H 4.300 . 5.300 4.312 4.197 4.416 . 0 0 "[ . 1 . 2]" 1
298 1 28 ASP HA 1 31 ARG H 3.600 . 4.600 3.493 3.358 3.691 . 0 0 "[ . 1 . 2]" 1
299 1 30 LEU HB3 1 31 ARG H 3.600 . 4.600 2.879 2.694 3.301 . 0 0 "[ . 1 . 2]" 1
300 1 31 ARG H 1 31 ARG HA 2.700 . 3.700 2.795 2.774 2.841 . 0 0 "[ . 1 . 2]" 1
301 1 31 ARG H 1 31 ARG QD 4.400 . 5.400 4.324 3.630 4.632 . 0 0 "[ . 1 . 2]" 1
302 1 31 ARG H 1 31 ARG QG 3.400 . 4.400 3.530 2.975 4.023 . 0 0 "[ . 1 . 2]" 1
303 1 31 ARG H 1 32 GLN HB2 4.500 . 5.500 4.729 4.514 4.802 . 0 0 "[ . 1 . 2]" 1
304 1 31 ARG H 1 32 GLN H 2.700 . 3.500 2.754 2.611 2.811 . 0 0 "[ . 1 . 2]" 1
305 1 31 ARG H 1 33 PHE H 4.200 . 5.200 4.263 4.036 4.390 . 0 0 "[ . 1 . 2]" 1
306 1 18 LEU QD 1 32 GLN H 5.200 . 6.200 5.414 4.561 5.930 . 0 0 "[ . 1 . 2]" 1
307 1 18 LEU MD2 1 32 GLN H 5.200 . 6.200 5.550 4.662 6.091 . 0 0 "[ . 1 . 2]" 1
308 1 28 ASP HA 1 32 GLN H 4.200 . 5.200 4.337 4.278 4.477 . 0 0 "[ . 1 . 2]" 1
309 1 30 LEU HA 1 32 GLN H 4.200 . 5.200 4.410 4.305 4.614 . 0 0 "[ . 1 . 2]" 1
310 1 32 GLN H 1 32 GLN QB 2.500 . 3.500 2.115 2.094 2.136 . 0 0 "[ . 1 . 2]" 1
311 1 32 GLN H 1 32 GLN HB2 2.500 . 3.500 2.160 2.134 2.192 . 0 0 "[ . 1 . 2]" 1
312 1 32 GLN H 1 32 GLN HE22 4.400 . 5.400 5.451 5.423 5.482 0.082 17 0 "[ . 1 . 2]" 1
313 1 32 GLN H 1 32 GLN QG 3.600 . 4.600 3.844 3.813 3.890 . 0 0 "[ . 1 . 2]" 1
314 1 32 GLN H 1 33 PHE QD 5.000 . 6.000 5.645 4.681 6.084 0.084 19 0 "[ . 1 . 2]" 1
315 1 32 GLN H 1 33 PHE H 3.100 . 4.100 2.630 2.477 2.768 . 0 0 "[ . 1 . 2]" 1
316 1 18 LEU MD2 1 32 GLN HE21 4.200 . 5.200 3.289 2.843 3.816 . 0 0 "[ . 1 . 2]" 1
317 1 18 LEU MD2 1 32 GLN HE22 3.600 . 4.600 4.224 3.798 4.607 0.007 17 0 "[ . 1 . 2]" 1
318 1 19 SER H 1 32 GLN HE21 5.600 . 6.600 6.180 5.950 6.329 . 0 0 "[ . 1 . 2]" 1
319 1 19 SER H 1 32 GLN HE22 5.600 . 6.600 6.626 6.608 6.645 0.045 16 0 "[ . 1 . 2]" 1
320 1 20 VAL QG 1 32 GLN HE21 3.600 . 4.600 2.155 1.797 2.718 0.003 4 0 "[ . 1 . 2]" 1
321 1 32 GLN HA 1 32 GLN HE21 4.500 . 5.500 4.566 4.551 4.572 . 0 0 "[ . 1 . 2]" 1
322 1 32 GLN HA 1 32 GLN HE22 4.500 . 5.500 5.529 5.467 5.561 0.061 5 0 "[ . 1 . 2]" 1
323 1 32 GLN HB2 1 32 GLN HE21 3.100 . 4.100 2.327 2.288 2.355 . 0 0 "[ . 1 . 2]" 1
324 1 32 GLN HB2 1 32 GLN HE22 2.500 . 3.500 3.393 3.362 3.420 . 0 0 "[ . 1 . 2]" 1
325 1 32 GLN HE21 1 32 GLN QG 3.100 . 4.100 2.669 2.659 2.678 . 0 0 "[ . 1 . 2]" 1
326 1 32 GLN HE22 1 32 GLN QG 2.700 . 3.700 3.443 3.440 3.447 . 0 0 "[ . 1 . 2]" 1
327 1 18 LEU MD2 1 33 PHE H 4.000 . 5.000 4.441 3.153 4.799 . 0 0 "[ . 1 . 2]" 1
328 1 30 LEU HA 1 33 PHE H 3.600 . 4.600 3.496 3.277 3.741 . 0 0 "[ . 1 . 2]" 1
329 1 32 GLN HB2 1 33 PHE H 2.500 . 3.500 3.334 3.262 3.501 0.001 9 0 "[ . 1 . 2]" 1
330 1 32 GLN QG 1 33 PHE H 3.800 . 4.800 4.135 4.006 4.323 . 0 0 "[ . 1 . 2]" 1
331 1 33 PHE H 1 33 PHE HA 2.500 . 3.500 2.787 2.763 2.853 . 0 0 "[ . 1 . 2]" 1
332 1 33 PHE H 1 33 PHE HB2 2.500 . 3.500 2.507 2.136 2.812 . 0 0 "[ . 1 . 2]" 1
333 1 33 PHE H 1 33 PHE HB3 3.100 . 4.100 2.872 2.281 3.576 . 0 0 "[ . 1 . 2]" 1
334 1 33 PHE H 1 33 PHE QD 3.300 . 4.300 3.746 2.957 4.167 . 0 0 "[ . 1 . 2]" 1
335 1 33 PHE H 1 35 ARG H 3.200 . 4.200 3.981 3.801 4.194 . 0 0 "[ . 1 . 2]" 1
336 1 18 LEU MD2 1 34 LYS H 5.300 . 6.300 6.160 4.926 6.308 0.008 17 0 "[ . 1 . 2]" 1
337 1 33 PHE HB2 1 34 LYS H 3.100 . 4.100 3.413 2.465 4.102 0.002 16 0 "[ . 1 . 2]" 1
338 1 33 PHE HB3 1 34 LYS H 3.600 . 4.600 2.892 2.438 3.682 . 0 0 "[ . 1 . 2]" 1
339 1 33 PHE QD 1 34 LYS H 4.500 . 5.500 3.832 2.999 4.673 . 0 0 "[ . 1 . 2]" 1
340 1 33 PHE H 1 34 LYS H 2.800 . 3.800 2.780 2.644 2.871 . 0 0 "[ . 1 . 2]" 1
341 1 18 LEU MD2 1 35 ARG H 5.600 . 6.600 6.021 5.343 6.234 . 0 0 "[ . 1 . 2]" 1
342 1 32 GLN HA 1 35 ARG H 3.200 . 4.200 3.403 3.311 3.816 . 0 0 "[ . 1 . 2]" 1
343 1 34 LYS QD 1 35 ARG H 3.200 . 4.200 3.366 2.633 4.263 0.063 17 0 "[ . 1 . 2]" 1
344 1 35 ARG H 1 35 ARG HA 2.700 . 3.700 2.851 2.826 2.874 . 0 0 "[ . 1 . 2]" 1
345 1 35 ARG H 1 35 ARG QD 4.500 . 5.500 4.249 3.673 4.728 . 0 0 "[ . 1 . 2]" 1
346 1 35 ARG H 1 36 GLU QG 4.500 . 5.500 4.451 3.849 5.379 . 0 0 "[ . 1 . 2]" 1
347 1 35 ARG H 1 36 GLU H 2.400 . 3.400 2.491 2.412 2.577 . 0 0 "[ . 1 . 2]" 1
348 1 18 LEU MD1 1 36 GLU H 4.500 . 5.500 5.453 5.008 5.512 0.012 17 0 "[ . 1 . 2]" 1
349 1 18 LEU MD2 1 36 GLU H 4.500 . 5.500 5.096 4.693 5.374 . 0 0 "[ . 1 . 2]" 1
350 1 32 GLN HA 1 36 GLU H 3.800 . 4.800 4.402 4.111 4.806 0.006 15 0 "[ . 1 . 2]" 1
351 1 35 ARG HA 1 36 GLU H 3.400 . 4.400 3.458 3.455 3.460 . 0 0 "[ . 1 . 2]" 1
352 1 35 ARG QD 1 36 GLU H 5.200 . 6.200 4.890 3.220 5.562 . 0 0 "[ . 1 . 2]" 1
353 1 36 GLU H 1 36 GLU HA 2.500 . 3.500 2.927 2.919 2.934 . 0 0 "[ . 1 . 2]" 1
354 1 36 GLU H 1 36 GLU HG2 3.100 . 4.100 2.961 2.395 3.922 . 0 0 "[ . 1 . 2]" 1
355 1 36 GLU H 1 37 VAL MG1 4.300 . 5.300 3.918 3.824 4.029 . 0 0 "[ . 1 . 2]" 1
356 1 36 GLU H 1 37 VAL MG2 4.300 . 5.300 5.448 5.387 5.520 0.220 20 0 "[ . 1 . 2]" 1
357 1 18 LEU MD2 1 37 VAL H 5.200 . 6.200 6.038 5.189 6.213 0.013 20 0 "[ . 1 . 2]" 1
358 1 36 GLU HA 1 37 VAL H 3.600 . 4.600 3.477 3.374 3.560 . 0 0 "[ . 1 . 2]" 1
359 1 36 GLU HB2 1 37 VAL H 2.500 . 3.500 2.926 2.374 3.290 . 0 0 "[ . 1 . 2]" 1
360 1 36 GLU HG2 1 37 VAL H 4.700 . 5.700 4.554 4.089 4.943 . 0 0 "[ . 1 . 2]" 1
361 1 37 VAL H 1 37 VAL MG1 2.600 . 3.600 2.528 2.224 2.729 . 0 0 "[ . 1 . 2]" 1
362 1 37 VAL H 1 37 VAL MG2 3.600 . 4.600 3.715 3.622 3.852 . 0 0 "[ . 1 . 2]" 1
363 1 37 VAL H 1 38 ALA H 4.200 . 5.200 2.492 2.056 2.716 . 0 0 "[ . 1 . 2]" 1
364 1 37 VAL H 1 40 LEU H 5.200 . 6.200 5.663 5.304 5.808 . 0 0 "[ . 1 . 2]" 1
365 1 37 VAL HA 1 38 ALA H 3.200 . 4.200 3.456 3.419 3.470 . 0 0 "[ . 1 . 2]" 1
366 1 37 VAL MG1 1 38 ALA H 4.200 . 5.200 2.193 2.094 2.332 . 0 0 "[ . 1 . 2]" 1
367 1 37 VAL MG2 1 38 ALA H 4.200 . 5.200 4.112 4.014 4.171 . 0 0 "[ . 1 . 2]" 1
368 1 38 ALA H 1 38 ALA MB 3.100 . 4.100 2.150 2.031 2.240 . 0 0 "[ . 1 . 2]" 1
369 1 38 ALA H 1 39 ALA H 4.200 . 4.600 2.587 2.532 2.667 . 0 0 "[ . 1 . 2]" 1
370 1 36 GLU HB2 1 39 ALA H 5.100 . 6.100 5.734 5.367 6.115 0.015 17 0 "[ . 1 . 2]" 1
371 1 37 VAL MG1 1 39 ALA H 4.500 . 5.500 4.162 4.133 4.200 . 0 0 "[ . 1 . 2]" 1
372 1 37 VAL MG2 1 39 ALA H 3.900 . 4.900 4.710 4.583 4.821 . 0 0 "[ . 1 . 2]" 1
373 1 38 ALA MB 1 39 ALA H 2.600 . 3.600 3.070 2.981 3.134 . 0 0 "[ . 1 . 2]" 1
374 1 39 ALA H 1 39 ALA HA 2.500 . 3.500 2.821 2.781 2.863 . 0 0 "[ . 1 . 2]" 1
375 1 39 ALA H 1 39 ALA MB 2.500 . 3.500 2.211 2.125 2.233 . 0 0 "[ . 1 . 2]" 1
376 1 39 ALA H 1 40 LEU HB2 5.200 . 6.200 5.752 4.545 6.234 0.034 9 0 "[ . 1 . 2]" 1
377 1 39 ALA H 1 40 LEU MD2 4.400 . 5.400 4.008 3.344 5.431 0.031 2 0 "[ . 1 . 2]" 1
378 1 39 ALA H 1 40 LEU H 2.600 . 3.600 2.624 2.460 2.729 . 0 0 "[ . 1 . 2]" 1
379 1 37 VAL HB 1 40 LEU H 5.400 . 6.400 6.032 5.779 6.152 . 0 0 "[ . 1 . 2]" 1
380 1 37 VAL MG2 1 40 LEU H 3.800 . 4.800 4.176 3.855 4.384 . 0 0 "[ . 1 . 2]" 1
381 1 38 ALA HA 1 40 LEU H 3.800 . 4.800 3.972 3.817 4.053 . 0 0 "[ . 1 . 2]" 1
382 1 39 ALA MB 1 40 LEU H 3.300 . 4.300 2.696 2.608 2.920 . 0 0 "[ . 1 . 2]" 1
383 1 40 LEU H 1 40 LEU HB2 3.100 . 4.100 3.215 2.364 3.608 . 0 0 "[ . 1 . 2]" 1
384 1 40 LEU H 1 40 LEU HB3 3.600 . 4.600 3.479 3.285 3.757 . 0 0 "[ . 1 . 2]" 1
385 1 40 LEU H 1 41 ASP HA 4.600 . 5.600 4.693 4.691 4.694 . 0 0 "[ . 1 . 2]" 1
386 1 40 LEU H 1 41 ASP HB2 4.200 . 5.200 4.137 3.862 4.390 . 0 0 "[ . 1 . 2]" 1
387 1 40 LEU H 1 41 ASP HB3 4.200 . 5.200 4.588 4.291 5.058 . 0 0 "[ . 1 . 2]" 1
388 1 40 LEU H 1 41 ASP H 2.500 . 3.000 1.934 1.932 1.935 . 0 0 "[ . 1 . 2]" 1
389 1 40 LEU H 1 42 PRO QD 5.200 . 6.200 5.240 5.233 5.245 . 0 0 "[ . 1 . 2]" 1
390 1 37 VAL MG2 1 41 ASP H 4.200 . 5.200 3.652 3.477 3.766 . 0 0 "[ . 1 . 2]" 1
391 1 38 ALA HA 1 41 ASP H 2.900 . 3.900 3.085 2.887 3.153 . 0 0 "[ . 1 . 2]" 1
392 1 39 ALA MB 1 41 ASP H 4.500 . 5.500 4.288 4.220 4.490 . 0 0 "[ . 1 . 2]" 1
393 1 40 LEU HA 1 41 ASP H 3.300 . 4.300 3.447 3.447 3.449 . 0 0 "[ . 1 . 2]" 1
394 1 40 LEU HB2 1 41 ASP H 3.100 . 4.100 3.437 3.002 3.745 . 0 0 "[ . 1 . 2]" 1
395 1 40 LEU HB3 1 41 ASP H 3.600 . 4.600 4.182 3.342 4.282 . 0 0 "[ . 1 . 2]" 1
396 1 40 LEU MD2 1 41 ASP H 4.500 . 5.500 4.044 3.554 4.985 . 0 0 "[ . 1 . 2]" 1
397 1 41 ASP H 1 41 ASP HA 2.500 . 3.500 2.931 2.931 2.932 . 0 0 "[ . 1 . 2]" 1
398 1 41 ASP H 1 41 ASP HB2 2.300 . 3.300 2.545 2.272 2.774 . 0 0 "[ . 1 . 2]" 1
399 1 41 ASP H 1 41 ASP HB3 2.300 . 3.300 2.840 2.588 3.237 . 0 0 "[ . 1 . 2]" 1
400 1 41 ASP H 1 42 PRO QD 3.600 . 4.600 3.946 3.941 3.949 . 0 0 "[ . 1 . 2]" 1
401 1 41 ASP HB2 1 43 ILE H 4.200 . 5.200 4.957 4.645 5.213 0.013 17 0 "[ . 1 . 2]" 1
402 1 41 ASP HB3 1 43 ILE H 4.200 . 5.200 4.031 3.503 4.638 . 0 0 "[ . 1 . 2]" 1
403 1 41 ASP H 1 43 ILE H 5.200 . 6.200 5.511 5.206 5.774 . 0 0 "[ . 1 . 2]" 1
404 1 42 PRO HA 1 43 ILE H 3.400 . 4.400 3.475 3.392 3.530 . 0 0 "[ . 1 . 2]" 1
405 1 42 PRO HB2 1 43 ILE H 4.200 . 5.200 3.524 3.298 3.783 . 0 0 "[ . 1 . 2]" 1
406 1 42 PRO QD 1 43 ILE H 3.600 . 4.600 2.652 2.602 2.768 . 0 0 "[ . 1 . 2]" 1
407 1 42 PRO QG 1 43 ILE H 3.100 . 4.100 2.602 2.308 2.969 . 0 0 "[ . 1 . 2]" 1
408 1 43 ILE H 1 43 ILE HA 2.700 . 3.700 2.864 2.825 2.926 . 0 0 "[ . 1 . 2]" 1
409 1 43 ILE H 1 43 ILE HB 2.500 . 3.500 2.726 2.456 3.596 0.096 17 0 "[ . 1 . 2]" 1
410 1 43 ILE H 1 43 ILE QG 3.500 . 4.500 2.675 1.901 4.047 . 0 0 "[ . 1 . 2]" 1
411 1 43 ILE H 1 43 ILE MG 3.500 . 4.500 3.170 2.068 3.821 . 0 0 "[ . 1 . 2]" 1
412 1 43 ILE H 1 44 ASN H 4.500 . 5.500 4.606 4.556 4.627 . 0 0 "[ . 1 . 2]" 1
413 1 43 ILE HA 1 44 ASN H 2.100 . 3.100 2.248 2.244 2.251 . 0 0 "[ . 1 . 2]" 1
414 1 43 ILE MG 1 44 ASN H 2.500 . 3.500 2.661 1.922 3.582 0.082 11 0 "[ . 1 . 2]" 1
415 1 44 ASN H 1 44 ASN HB2 2.500 . 3.500 2.260 2.075 3.608 0.108 17 0 "[ . 1 . 2]" 1
416 1 44 ASN H 1 44 ASN HB3 2.500 . 3.500 3.149 2.241 3.505 0.005 2 0 "[ . 1 . 2]" 1
417 1 44 ASN HA 1 44 ASN HD21 4.200 . 5.200 4.210 3.304 4.548 . 0 0 "[ . 1 . 2]" 1
418 1 44 ASN HA 1 44 ASN HD22 4.100 . 5.100 4.428 3.899 5.063 . 0 0 "[ . 1 . 2]" 1
419 1 44 ASN HB2 1 44 ASN HD21 3.500 . 4.500 2.712 2.274 3.498 . 0 0 "[ . 1 . 2]" 1
420 1 44 ASN HB2 1 44 ASN HD22 3.500 . 4.500 3.689 3.496 4.067 . 0 0 "[ . 1 . 2]" 1
421 1 44 ASN HB3 1 44 ASN HD21 3.500 . 4.500 2.468 2.133 2.853 . 0 0 "[ . 1 . 2]" 1
422 1 44 ASN HB3 1 44 ASN HD22 3.500 . 4.500 3.580 3.442 3.747 . 0 0 "[ . 1 . 2]" 1
423 1 44 ASN H 1 44 ASN HD21 4.500 . 5.500 4.458 1.891 4.904 . 0 0 "[ . 1 . 2]" 1
424 1 44 ASN H 1 44 ASN HD22 4.500 . 5.500 5.292 3.107 5.601 0.101 20 0 "[ . 1 . 2]" 1
425 1 44 ASN HD21 1 45 LEU H 4.900 . 5.900 5.127 4.383 5.883 . 0 0 "[ . 1 . 2]" 1
426 1 44 ASN HD22 1 45 LEU H 4.900 . 5.900 5.306 4.851 5.864 . 0 0 "[ . 1 . 2]" 1
427 1 44 ASN HD21 1 46 GLU H 4.300 . 5.300 4.435 3.695 5.291 . 0 0 "[ . 1 . 2]" 1
428 1 44 ASN HD22 1 46 GLU H 4.300 . 5.300 4.916 3.124 5.301 0.001 7 0 "[ . 1 . 2]" 1
429 1 44 ASN HD21 1 47 GLU QG 4.000 . 5.000 3.509 2.151 3.867 . 0 0 "[ . 1 . 2]" 1
430 1 44 ASN HD22 1 47 GLU QG 4.000 . 5.000 4.676 1.895 5.006 0.006 10 0 "[ . 1 . 2]" 1
431 1 44 ASN HA 1 45 LEU H 2.500 . 3.500 2.238 2.140 2.399 . 0 0 "[ . 1 . 2]" 1
432 1 44 ASN HB2 1 45 LEU H 3.600 . 4.600 4.201 2.466 4.597 . 0 0 "[ . 1 . 2]" 1
433 1 44 ASN HB3 1 45 LEU H 3.600 . 4.600 3.449 2.684 4.471 . 0 0 "[ . 1 . 2]" 1
434 1 45 LEU H 1 45 LEU HA 2.700 . 3.700 2.828 2.788 2.838 . 0 0 "[ . 1 . 2]" 1
435 1 45 LEU H 1 45 LEU QD 3.200 . 4.200 3.190 1.872 3.744 . 0 0 "[ . 1 . 2]" 1
436 1 45 LEU H 1 46 GLU HA 5.100 . 6.100 5.167 5.079 5.296 . 0 0 "[ . 1 . 2]" 1
437 1 45 LEU H 1 46 GLU H 2.500 . 3.500 2.576 2.539 2.691 . 0 0 "[ . 1 . 2]" 1
438 1 45 LEU H 1 47 GLU H 4.200 . 5.200 4.079 3.899 4.343 . 0 0 "[ . 1 . 2]" 1
439 1 44 ASN HA 1 46 GLU H 3.900 . 4.900 3.847 3.409 4.248 . 0 0 "[ . 1 . 2]" 1
440 1 44 ASN HB2 1 46 GLU H 3.600 . 4.600 4.236 2.862 4.610 0.010 9 0 "[ . 1 . 2]" 1
441 1 44 ASN HB3 1 46 GLU H 3.600 . 4.600 2.916 2.355 4.550 . 0 0 "[ . 1 . 2]" 1
442 1 45 LEU HA 1 46 GLU H 3.600 . 4.600 3.463 3.407 3.506 . 0 0 "[ . 1 . 2]" 1
443 1 45 LEU QD 1 46 GLU H 3.700 . 4.700 3.509 1.918 4.093 . 0 0 "[ . 1 . 2]" 1
444 1 45 LEU HG 1 46 GLU H 3.100 . 4.100 3.409 2.062 4.116 0.016 2 0 "[ . 1 . 2]" 1
445 1 46 GLU H 1 46 GLU HA 2.500 . 3.500 2.843 2.794 2.869 . 0 0 "[ . 1 . 2]" 1
446 1 46 GLU H 1 46 GLU QB 2.500 . 3.500 2.170 2.054 2.610 . 0 0 "[ . 1 . 2]" 1
447 1 46 GLU H 1 46 GLU QG 3.300 . 4.300 3.636 2.107 4.015 . 0 0 "[ . 1 . 2]" 1
448 1 46 GLU H 1 47 GLU H 2.500 . 3.400 2.550 2.481 2.665 . 0 0 "[ . 1 . 2]" 1
449 1 46 GLU H 1 48 TYR H 4.200 . 5.200 4.214 4.121 4.267 . 0 0 "[ . 1 . 2]" 1
450 1 44 ASN HB2 1 47 GLU H 3.600 . 4.600 4.146 3.639 4.625 0.025 15 0 "[ . 1 . 2]" 1
451 1 44 ASN HB3 1 47 GLU H 3.600 . 4.600 3.068 2.710 4.628 0.028 17 0 "[ . 1 . 2]" 1
452 1 44 ASN H 1 47 GLU H 4.300 . 5.300 4.687 3.963 5.311 0.011 3 0 "[ . 1 . 2]" 1
453 1 45 LEU HA 1 47 GLU H 3.600 . 4.600 3.598 3.414 3.719 . 0 0 "[ . 1 . 2]" 1
454 1 47 GLU H 1 47 GLU HA 2.500 . 3.500 2.896 2.893 2.906 . 0 0 "[ . 1 . 2]" 1
455 1 47 GLU H 1 48 TYR QD 3.800 . 4.800 4.152 2.989 4.720 . 0 0 "[ . 1 . 2]" 1
456 1 47 GLU H 1 48 TYR H 2.500 . 3.500 2.405 2.306 2.543 . 0 0 "[ . 1 . 2]" 1
457 1 45 LEU HA 1 48 TYR H 3.600 . 4.600 3.600 3.118 4.022 . 0 0 "[ . 1 . 2]" 1
458 1 47 GLU HA 1 48 TYR H 3.200 . 4.200 3.366 3.172 3.488 . 0 0 "[ . 1 . 2]" 1
459 1 48 TYR H 1 48 TYR HB2 3.000 . 4.000 3.394 2.598 3.988 . 0 0 "[ . 1 . 2]" 1
460 1 48 TYR H 1 48 TYR HB3 3.000 . 4.000 3.434 3.082 3.830 . 0 0 "[ . 1 . 2]" 1
461 1 48 TYR H 1 48 TYR QD 2.900 . 3.900 3.197 2.721 3.776 . 0 0 "[ . 1 . 2]" 1
462 1 48 TYR H 1 49 VAL H 4.400 . 5.400 4.452 4.377 4.514 . 0 0 "[ . 1 . 2]" 1
463 1 48 TYR H 1 79 ARG HA 5.200 . 6.200 5.722 4.797 6.205 0.005 16 0 "[ . 1 . 2]" 1
464 1 48 TYR HA 1 49 VAL H 2.500 . 3.500 2.464 2.413 2.470 . 0 0 "[ . 1 . 2]" 1
465 1 48 TYR HB2 1 49 VAL H 3.100 . 4.100 2.755 2.304 3.711 . 0 0 "[ . 1 . 2]" 1
466 1 48 TYR HB3 1 49 VAL H 3.600 . 4.600 3.174 2.290 3.734 . 0 0 "[ . 1 . 2]" 1
467 1 48 TYR QD 1 49 VAL H 3.600 . 4.600 3.368 2.939 4.165 . 0 0 "[ . 1 . 2]" 1
468 1 49 VAL H 1 78 VAL QG 4.300 . 5.300 4.131 3.117 5.301 0.001 10 0 "[ . 1 . 2]" 1
469 1 49 VAL H 1 79 ARG HA 3.600 . 4.600 3.502 2.479 4.601 0.001 18 0 "[ . 1 . 2]" 1
470 1 49 VAL H 1 80 LYS H 3.600 . 4.600 3.584 2.780 4.465 . 0 0 "[ . 1 . 2]" 1
471 1 50 VAL HA 1 51 ASN H 2.500 . 3.500 2.169 2.146 2.180 . 0 0 "[ . 1 . 2]" 1
472 1 50 VAL QG 1 51 ASN H 2.500 . 3.500 2.632 2.217 3.516 0.016 18 0 "[ . 1 . 2]" 1
473 1 51 ASN H 1 51 ASN HB2 2.800 . 3.800 3.712 3.666 3.783 . 0 0 "[ . 1 . 2]" 1
474 1 51 ASN H 1 51 ASN HB3 3.100 . 4.100 2.873 2.659 3.080 . 0 0 "[ . 1 . 2]" 1
475 1 51 ASN H 1 51 ASN HD21 4.200 . 5.200 4.239 3.802 4.852 . 0 0 "[ . 1 . 2]" 1
476 1 51 ASN H 1 56 LEU HA 4.800 . 5.800 5.390 5.065 5.799 . 0 0 "[ . 1 . 2]" 1
477 1 51 ASN H 1 75 PHE HA 5.600 . 6.600 5.099 4.902 5.669 . 0 0 "[ . 1 . 2]" 1
478 1 51 ASN H 1 76 VAL H 4.700 . 5.700 3.712 3.400 4.357 . 0 0 "[ . 1 . 2]" 1
479 1 51 ASN HA 1 51 ASN HD21 4.200 . 5.200 4.064 3.842 4.579 . 0 0 "[ . 1 . 2]" 1
480 1 51 ASN HD21 1 52 HIS H 4.200 . 5.200 3.913 3.484 5.024 . 0 0 "[ . 1 . 2]" 1
481 1 51 ASN HD21 1 54 GLY HA2 4.200 . 5.200 2.576 1.939 3.125 . 0 0 "[ . 1 . 2]" 1
482 1 51 ASN HD21 1 54 GLY HA3 4.200 . 5.200 4.062 3.535 4.453 . 0 0 "[ . 1 . 2]" 1
483 1 51 ASN HD22 1 54 GLY HA3 4.200 . 5.200 4.890 4.293 5.209 0.009 10 0 "[ . 1 . 2]" 1
484 1 51 ASN HD21 1 54 GLY H 4.200 . 5.200 2.231 1.891 3.672 . 0 0 "[ . 1 . 2]" 1
485 1 51 ASN HD22 1 56 LEU QD 4.800 . 5.800 5.277 4.302 5.746 . 0 0 "[ . 1 . 2]" 1
486 1 51 ASN HD21 1 56 LEU MD1 4.200 . 5.200 5.026 4.581 5.224 0.024 14 0 "[ . 1 . 2]" 1
487 1 51 ASN HD21 1 56 LEU QD 4.200 . 5.200 4.610 2.993 5.036 . 0 0 "[ . 1 . 2]" 1
488 1 51 ASN HB3 1 52 HIS H 3.600 . 4.600 4.080 3.975 4.183 . 0 0 "[ . 1 . 2]" 1
489 1 51 ASN HA 1 52 HIS H 2.500 . 3.500 2.224 2.176 2.243 . 0 0 "[ . 1 . 2]" 1
490 1 52 HIS H 1 52 HIS HB2 2.500 . 3.500 3.196 2.357 3.656 0.156 14 0 "[ . 1 . 2]" 1
491 1 52 HIS H 1 52 HIS HB3 2.500 . 3.500 2.968 2.392 3.601 0.101 6 0 "[ . 1 . 2]" 1
492 1 52 HIS H 1 53 GLU H 4.200 . 5.200 4.278 4.250 4.350 . 0 0 "[ . 1 . 2]" 1
493 1 52 HIS H 1 54 GLY QA 5.100 . 6.100 4.897 4.818 5.203 . 0 0 "[ . 1 . 2]" 1
494 1 52 HIS H 1 54 GLY H 4.200 . 5.200 4.008 3.865 4.448 . 0 0 "[ . 1 . 2]" 1
495 1 52 HIS H 1 55 LYS H 3.100 . 3.800 2.863 2.661 3.267 . 0 0 "[ . 1 . 2]" 1
496 1 52 HIS H 1 57 LEU H 3.800 . 4.800 4.409 3.641 4.802 0.002 12 0 "[ . 1 . 2]" 1
497 1 52 HIS H 1 75 PHE HD2 4.900 . 5.900 4.897 4.707 5.763 . 0 0 "[ . 1 . 2]" 1
498 1 51 ASN HB2 1 53 GLU H 4.500 . 5.500 5.272 5.143 5.419 . 0 0 "[ . 1 . 2]" 1
499 1 51 ASN H 1 53 GLU H 5.600 . 6.600 6.315 6.120 6.604 0.004 1 0 "[ . 1 . 2]" 1
500 1 52 HIS HA 1 53 GLU H 2.500 . 3.500 2.143 2.141 2.146 . 0 0 "[ . 1 . 2]" 1
501 1 52 HIS HB2 1 53 GLU H 4.200 . 5.200 4.031 3.502 4.497 . 0 0 "[ . 1 . 2]" 1
502 1 53 GLU H 1 53 GLU HA 2.500 . 3.500 2.277 2.274 2.279 . 0 0 "[ . 1 . 2]" 1
503 1 53 GLU H 1 53 GLU HB2 3.600 . 4.600 3.110 2.961 3.525 . 0 0 "[ . 1 . 2]" 1
504 1 53 GLU H 1 54 GLY H 3.100 . 4.100 2.735 2.663 2.768 . 0 0 "[ . 1 . 2]" 1
505 1 53 GLU H 1 55 LYS H 4.200 . 5.200 3.987 3.966 4.020 . 0 0 "[ . 1 . 2]" 1
506 1 53 GLU H 1 75 PHE HD2 5.100 . 6.100 3.597 2.523 4.426 . 0 0 "[ . 1 . 2]" 1
507 1 51 ASN HB2 1 54 GLY H 4.200 . 5.200 3.522 3.347 3.826 . 0 0 "[ . 1 . 2]" 1
508 1 51 ASN HD22 1 54 GLY H 4.200 . 5.200 3.213 2.915 3.806 . 0 0 "[ . 1 . 2]" 1
509 1 52 HIS HA 1 54 GLY H 3.700 . 4.700 3.777 3.713 3.836 . 0 0 "[ . 1 . 2]" 1
510 1 53 GLU HA 1 54 GLY H 2.500 . 3.500 2.886 2.824 2.897 . 0 0 "[ . 1 . 2]" 1
511 1 54 GLY H 1 55 LYS HA 5.000 . 6.000 5.086 5.019 5.214 . 0 0 "[ . 1 . 2]" 1
512 1 54 GLY H 1 55 LYS H 2.400 . 3.400 2.421 2.328 2.595 . 0 0 "[ . 1 . 2]" 1
513 1 51 ASN HA 1 55 LYS H 4.400 . 5.400 4.380 4.248 4.582 . 0 0 "[ . 1 . 2]" 1
514 1 51 ASN HD21 1 55 LYS H 4.200 . 5.200 3.425 3.027 4.223 . 0 0 "[ . 1 . 2]" 1
515 1 51 ASN HD22 1 55 LYS H 4.200 . 5.200 4.951 4.645 5.208 0.008 14 0 "[ . 1 . 2]" 1
516 1 52 HIS HA 1 55 LYS H 4.200 . 5.200 4.158 4.065 4.291 . 0 0 "[ . 1 . 2]" 1
517 1 52 HIS HB2 1 55 LYS H 4.000 . 5.000 4.784 4.207 5.076 0.076 10 0 "[ . 1 . 2]" 1
518 1 52 HIS HB3 1 55 LYS H 4.200 . 5.200 4.622 3.905 5.286 0.086 14 0 "[ . 1 . 2]" 1
519 1 54 GLY HA2 1 55 LYS H 3.100 . 4.100 3.144 3.141 3.155 . 0 0 "[ . 1 . 2]" 1
520 1 54 GLY HA3 1 55 LYS H 3.000 . 4.000 3.388 3.381 3.390 . 0 0 "[ . 1 . 2]" 1
521 1 55 LYS H 1 56 LEU H 4.300 . 5.300 4.387 4.304 4.501 . 0 0 "[ . 1 . 2]" 1
522 1 51 ASN HA 1 56 LEU H 4.900 . 5.900 4.925 4.635 5.233 . 0 0 "[ . 1 . 2]" 1
523 1 52 HIS H 1 56 LEU H 4.700 . 5.700 4.826 4.638 4.931 . 0 0 "[ . 1 . 2]" 1
524 1 55 LYS HA 1 56 LEU H 2.100 . 3.100 2.161 2.146 2.224 . 0 0 "[ . 1 . 2]" 1
525 1 56 LEU H 1 56 LEU HA 2.800 . 3.800 2.925 2.905 2.946 . 0 0 "[ . 1 . 2]" 1
526 1 56 LEU H 1 56 LEU HB3 2.500 . 3.500 3.475 3.333 3.545 0.045 15 0 "[ . 1 . 2]" 1
527 1 56 LEU H 1 56 LEU MD1 2.900 . 3.900 3.397 2.629 3.928 0.028 9 0 "[ . 1 . 2]" 1
528 1 56 LEU H 1 56 LEU HG 3.000 . 4.000 3.677 2.064 4.096 0.096 15 0 "[ . 1 . 2]" 1
529 1 56 LEU H 1 57 LEU H 4.300 . 5.300 4.375 4.260 4.505 . 0 0 "[ . 1 . 2]" 1
530 1 51 ASN HA 1 57 LEU H 4.000 . 5.000 3.792 3.240 4.510 . 0 0 "[ . 1 . 2]" 1
531 1 52 HIS HB3 1 57 LEU H 5.200 . 6.200 5.992 5.653 6.212 0.012 14 0 "[ . 1 . 2]" 1
532 1 56 LEU HA 1 57 LEU H 2.500 . 3.500 2.145 2.140 2.162 . 0 0 "[ . 1 . 2]" 1
533 1 57 LEU H 1 57 LEU HA 2.800 . 3.800 2.904 2.839 2.930 . 0 0 "[ . 1 . 2]" 1
534 1 57 LEU H 1 57 LEU HB2 2.100 . 3.100 2.383 2.071 3.619 0.519 10 2 "[ . - + . 2]" 1
535 1 57 LEU H 1 57 LEU QD 2.500 . 3.500 2.899 2.217 3.521 0.021 2 0 "[ . 1 . 2]" 1
536 1 57 LEU H 1 58 LEU H 4.500 . 5.500 4.543 4.221 4.623 . 0 0 "[ . 1 . 2]" 1
537 1 57 LEU HA 1 58 LEU H 2.500 . 3.500 2.289 2.142 2.328 . 0 0 "[ . 1 . 2]" 1
538 1 58 LEU H 1 58 LEU HA 2.800 . 3.800 2.904 2.779 2.947 . 0 0 "[ . 1 . 2]" 1
539 1 58 LEU H 1 58 LEU HB2 2.300 . 3.300 2.336 2.057 3.044 . 0 0 "[ . 1 . 2]" 1
540 1 58 LEU H 1 58 LEU QD 3.100 . 4.100 3.377 2.290 4.022 . 0 0 "[ . 1 . 2]" 1
541 1 58 LEU H 1 59 ASP HA 4.600 . 5.600 4.880 4.557 5.327 . 0 0 "[ . 1 . 2]" 1
542 1 58 LEU H 1 59 ASP HB2 4.200 . 5.200 4.626 3.528 5.251 0.051 6 0 "[ . 1 . 2]" 1
543 1 58 LEU H 1 59 ASP H 2.500 . 3.500 2.307 1.878 2.702 . 0 0 "[ . 1 . 2]" 1
544 1 57 LEU HA 1 59 ASP H 3.800 . 4.800 4.169 3.454 4.800 0.000 16 0 "[ . 1 . 2]" 1
545 1 57 LEU HB3 1 59 ASP H 3.600 . 4.600 3.667 2.694 4.600 0.000 13 0 "[ . 1 . 2]" 1
546 1 58 LEU HA 1 59 ASP H 3.200 . 4.200 3.486 3.172 3.570 . 0 0 "[ . 1 . 2]" 1
547 1 58 LEU HB2 1 59 ASP H 2.500 . 3.500 3.193 2.534 3.802 0.302 8 0 "[ . 1 . 2]" 1
548 1 58 LEU QD 1 59 ASP H 4.100 . 5.100 3.983 3.431 4.503 . 0 0 "[ . 1 . 2]" 1
549 1 59 ASP H 1 59 ASP HA 2.800 . 3.800 2.930 2.845 2.948 . 0 0 "[ . 1 . 2]" 1
550 1 59 ASP H 1 59 ASP HB2 2.500 . 3.500 2.597 2.149 3.538 0.038 14 0 "[ . 1 . 2]" 1
551 1 59 ASP H 1 59 ASP HB3 2.500 . 3.500 3.450 3.211 3.524 0.024 5 0 "[ . 1 . 2]" 1
552 1 59 ASP H 1 60 ASP H 4.500 . 5.500 3.842 1.894 4.540 . 0 0 "[ . 1 . 2]" 1
553 1 59 ASP HA 1 60 ASP H 2.400 . 3.400 2.687 2.153 3.501 0.101 8 0 "[ . 1 . 2]" 1
554 1 59 ASP HB2 1 60 ASP H 3.600 . 4.600 3.800 3.116 4.467 . 0 0 "[ . 1 . 2]" 1
555 1 60 ASP H 1 60 ASP HB2 3.100 . 4.100 3.003 2.469 3.760 . 0 0 "[ . 1 . 2]" 1
556 1 60 ASP H 1 60 ASP HB3 2.900 . 3.900 3.750 3.391 3.913 0.013 6 0 "[ . 1 . 2]" 1
557 1 60 ASP H 1 62 VAL H 4.200 . 5.200 4.584 4.073 5.148 . 0 0 "[ . 1 . 2]" 1
558 1 26 LEU HB2 1 61 SER H 4.700 . 5.700 5.022 4.267 5.705 0.005 5 0 "[ . 1 . 2]" 1
559 1 26 LEU MD1 1 61 SER H 5.400 . 6.400 6.052 4.826 6.404 0.004 19 0 "[ . 1 . 2]" 1
560 1 59 ASP HA 1 61 SER H 3.800 . 4.800 4.217 3.532 4.452 . 0 0 "[ . 1 . 2]" 1
561 1 59 ASP HB2 1 61 SER H 4.200 . 5.200 3.651 2.647 4.213 . 0 0 "[ . 1 . 2]" 1
562 1 60 ASP HB2 1 61 SER H 4.200 . 5.200 4.069 3.409 4.372 . 0 0 "[ . 1 . 2]" 1
563 1 60 ASP HB3 1 61 SER H 3.900 . 4.900 4.523 4.377 4.663 . 0 0 "[ . 1 . 2]" 1
564 1 61 SER H 1 61 SER HA 2.500 . 3.500 2.909 2.842 2.916 . 0 0 "[ . 1 . 2]" 1
565 1 61 SER H 1 61 SER HB2 3.100 . 4.100 2.672 2.193 3.657 . 0 0 "[ . 1 . 2]" 1
566 1 61 SER H 1 61 SER HB3 3.100 . 4.100 2.987 2.242 3.650 . 0 0 "[ . 1 . 2]" 1
567 1 61 SER H 1 62 VAL HB 5.200 . 6.200 5.823 5.771 6.118 . 0 0 "[ . 1 . 2]" 1
568 1 61 SER H 1 62 VAL QG 3.600 . 4.600 3.201 3.103 3.496 . 0 0 "[ . 1 . 2]" 1
569 1 61 SER H 1 62 VAL H 2.500 . 3.500 2.247 2.209 2.525 . 0 0 "[ . 1 . 2]" 1
570 1 26 LEU HB2 1 62 VAL H 4.200 . 5.200 4.151 3.633 4.819 . 0 0 "[ . 1 . 2]" 1
571 1 26 LEU HB3 1 62 VAL H 3.800 . 4.800 4.793 4.660 4.813 0.013 2 0 "[ . 1 . 2]" 1
572 1 26 LEU MD2 1 62 VAL H 4.700 . 5.700 5.242 4.312 5.702 0.002 1 0 "[ . 1 . 2]" 1
573 1 59 ASP HB2 1 62 VAL H 4.200 . 5.200 5.005 4.484 5.214 0.014 5 0 "[ . 1 . 2]" 1
574 1 60 ASP HB3 1 62 VAL H 5.200 . 6.200 5.439 5.189 5.664 . 0 0 "[ . 1 . 2]" 1
575 1 61 SER HA 1 62 VAL H 2.800 . 3.800 3.454 3.418 3.511 . 0 0 "[ . 1 . 2]" 1
576 1 61 SER HB2 1 62 VAL H 4.200 . 5.200 3.673 2.975 4.274 . 0 0 "[ . 1 . 2]" 1
577 1 61 SER HB3 1 62 VAL H 3.600 . 4.600 3.488 2.991 4.125 . 0 0 "[ . 1 . 2]" 1
578 1 62 VAL H 1 62 VAL HA 2.500 . 3.500 2.858 2.787 2.901 . 0 0 "[ . 1 . 2]" 1
579 1 62 VAL H 1 62 VAL HB 3.500 . 4.500 3.625 3.603 3.646 . 0 0 "[ . 1 . 2]" 1
580 1 62 VAL H 1 62 VAL QG 2.500 . 3.500 1.893 1.815 2.036 . 0 0 "[ . 1 . 2]" 1
581 1 62 VAL H 1 63 THR H 4.500 . 5.500 4.592 4.542 4.633 . 0 0 "[ . 1 . 2]" 1
582 1 62 VAL HA 1 63 THR H 2.500 . 3.500 2.242 2.153 2.492 . 0 0 "[ . 1 . 2]" 1
583 1 62 VAL HB 1 63 THR H 2.500 . 3.500 2.859 2.227 3.238 . 0 0 "[ . 1 . 2]" 1
584 1 62 VAL QG 1 63 THR H 3.300 . 4.300 3.364 2.981 3.516 . 0 0 "[ . 1 . 2]" 1
585 1 63 THR H 1 63 THR MG 2.500 . 3.500 2.148 2.096 2.288 . 0 0 "[ . 1 . 2]" 1
586 1 63 THR H 1 66 THR HA 4.500 . 5.500 4.766 4.541 5.188 . 0 0 "[ . 1 . 2]" 1
587 1 63 THR H 1 66 THR H 4.200 . 5.200 3.725 3.563 3.924 . 0 0 "[ . 1 . 2]" 1
588 1 63 THR HA 1 64 LEU H 2.600 . 3.600 2.581 2.252 2.690 . 0 0 "[ . 1 . 2]" 1
589 1 63 THR HB 1 64 LEU H 2.500 . 3.500 2.252 2.079 2.909 . 0 0 "[ . 1 . 2]" 1
590 1 63 THR MG 1 64 LEU H 3.200 . 4.200 3.805 3.710 4.127 . 0 0 "[ . 1 . 2]" 1
591 1 64 LEU H 1 64 LEU QD 3.200 . 4.200 2.479 1.936 3.413 . 0 0 "[ . 1 . 2]" 1
592 1 64 LEU H 1 65 GLN H 2.600 . 3.600 2.701 2.509 2.832 . 0 0 "[ . 1 . 2]" 1
593 1 65 GLN H 1 65 GLN QB 2.500 . 3.500 2.155 2.066 2.288 . 0 0 "[ . 1 . 2]" 1
594 1 65 GLN H 1 65 GLN QG 3.200 . 4.200 3.600 2.599 3.980 . 0 0 "[ . 1 . 2]" 1
595 1 65 GLN H 1 66 THR MG 4.700 . 5.700 5.768 5.757 5.779 0.079 1 0 "[ . 1 . 2]" 1
596 1 65 GLN H 1 66 THR H 2.500 . 3.500 2.477 2.467 2.515 . 0 0 "[ . 1 . 2]" 1
597 1 62 VAL MG2 1 66 THR H 5.400 . 6.400 5.364 4.489 5.835 . 0 0 "[ . 1 . 2]" 1
598 1 63 THR HA 1 66 THR H 4.500 . 5.500 4.561 4.383 4.722 . 0 0 "[ . 1 . 2]" 1
599 1 65 GLN HA 1 66 THR H 3.400 . 4.400 3.489 3.479 3.532 . 0 0 "[ . 1 . 2]" 1
600 1 65 GLN QB 1 66 THR H 2.500 . 3.500 2.837 2.576 2.923 . 0 0 "[ . 1 . 2]" 1
601 1 65 GLN QG 1 66 THR H 4.500 . 5.500 4.380 4.036 4.620 . 0 0 "[ . 1 . 2]" 1
602 1 66 THR H 1 66 THR HA 2.500 . 3.500 2.789 2.787 2.790 . 0 0 "[ . 1 . 2]" 1
603 1 66 THR H 1 66 THR HB 2.500 . 3.500 2.539 2.503 2.660 . 0 0 "[ . 1 . 2]" 1
604 1 66 THR H 1 66 THR MG 3.200 . 4.200 3.764 3.761 3.765 . 0 0 "[ . 1 . 2]" 1
605 1 66 THR H 1 67 VAL H 2.500 . 3.500 2.777 2.704 2.863 . 0 0 "[ . 1 . 2]" 1
606 1 62 VAL QG 1 67 VAL H 3.800 . 4.800 3.716 3.324 4.205 . 0 0 "[ . 1 . 2]" 1
607 1 63 THR HA 1 67 VAL H 5.200 . 6.200 5.325 5.095 5.631 . 0 0 "[ . 1 . 2]" 1
608 1 64 LEU HA 1 67 VAL H 3.800 . 4.800 3.951 3.737 4.089 . 0 0 "[ . 1 . 2]" 1
609 1 65 GLN QB 1 67 VAL H 4.600 . 5.600 4.892 4.620 5.123 . 0 0 "[ . 1 . 2]" 1
610 1 66 THR HA 1 67 VAL H 3.400 . 4.400 3.543 3.508 3.568 . 0 0 "[ . 1 . 2]" 1
611 1 66 THR HB 1 67 VAL H 2.500 . 3.500 2.559 2.338 2.810 . 0 0 "[ . 1 . 2]" 1
612 1 66 THR MG 1 67 VAL H 3.700 . 4.700 3.359 3.133 3.710 . 0 0 "[ . 1 . 2]" 1
613 1 67 VAL H 1 67 VAL HA 2.500 . 3.500 2.860 2.838 2.918 . 0 0 "[ . 1 . 2]" 1
614 1 67 VAL H 1 67 VAL HB 2.500 . 3.500 2.881 2.463 3.605 0.105 13 0 "[ . 1 . 2]" 1
615 1 67 VAL H 1 68 GLY H 2.400 . 3.400 2.465 2.211 2.548 . 0 0 "[ . 1 . 2]" 1
616 1 67 VAL H 1 69 VAL QG 4.500 . 5.500 4.201 3.744 4.673 . 0 0 "[ . 1 . 2]" 1
617 1 67 VAL HB 1 68 GLY H 3.800 . 4.800 3.833 2.987 4.147 . 0 0 "[ . 1 . 2]" 1
618 1 67 VAL QG 1 68 GLY H 2.500 . 3.500 2.500 2.146 3.432 . 0 0 "[ . 1 . 2]" 1
619 1 68 GLY H 1 68 GLY HA2 2.300 . 3.300 2.377 2.341 2.397 . 0 0 "[ . 1 . 2]" 1
620 1 68 GLY H 1 68 GLY HA3 2.300 . 3.300 2.932 2.909 2.942 . 0 0 "[ . 1 . 2]" 1
621 1 68 GLY H 1 69 VAL HB 4.300 . 5.300 4.441 4.340 4.787 . 0 0 "[ . 1 . 2]" 1
622 1 68 GLY H 1 69 VAL QG 3.900 . 4.900 3.599 3.335 3.801 . 0 0 "[ . 1 . 2]" 1
623 1 68 GLY H 1 69 VAL H 2.500 . 3.500 2.220 2.124 2.336 . 0 0 "[ . 1 . 2]" 1
624 1 65 GLN HA 1 69 VAL H 2.800 . 3.800 3.210 2.965 3.594 . 0 0 "[ . 1 . 2]" 1
625 1 67 VAL HB 1 69 VAL H 4.500 . 5.500 4.550 3.111 5.215 . 0 0 "[ . 1 . 2]" 1
626 1 67 VAL QG 1 69 VAL H 2.500 . 3.500 2.455 1.988 3.545 0.045 12 0 "[ . 1 . 2]" 1
627 1 68 GLY HA2 1 69 VAL H 2.800 . 3.800 2.897 2.861 3.048 . 0 0 "[ . 1 . 2]" 1
628 1 68 GLY HA3 1 69 VAL H 2.500 . 3.500 3.514 3.449 3.527 0.027 19 0 "[ . 1 . 2]" 1
629 1 69 VAL H 1 69 VAL HA 2.500 . 3.500 2.834 2.832 2.836 . 0 0 "[ . 1 . 2]" 1
630 1 69 VAL H 1 69 VAL HB 2.400 . 3.400 2.509 2.469 2.638 . 0 0 "[ . 1 . 2]" 1
631 1 69 VAL H 1 69 VAL QG 2.500 . 3.500 2.224 1.987 2.372 . 0 0 "[ . 1 . 2]" 1
632 1 69 VAL H 1 70 LYS QG 5.700 . 6.700 6.220 5.279 6.672 . 0 0 "[ . 1 . 2]" 1
633 1 69 VAL H 1 70 LYS H 4.400 . 5.400 4.562 4.396 4.631 . 0 0 "[ . 1 . 2]" 1
634 1 69 VAL HA 1 70 LYS H 2.500 . 3.500 2.192 2.141 2.293 . 0 0 "[ . 1 . 2]" 1
635 1 69 VAL QG 1 70 LYS H 2.900 . 3.900 2.355 2.074 2.926 . 0 0 "[ . 1 . 2]" 1
636 1 70 LYS H 1 70 LYS QG 3.200 . 4.200 3.383 2.854 3.849 . 0 0 "[ . 1 . 2]" 1
637 1 70 LYS H 1 71 LYS HB3 6.000 . 7.000 6.850 6.577 7.004 0.004 4 0 "[ . 1 . 2]" 1
638 1 70 LYS HA 1 71 LYS H 2.400 . 3.400 2.503 2.376 2.551 . 0 0 "[ . 1 . 2]" 1
639 1 70 LYS QB 1 71 LYS H 2.500 . 3.500 2.431 2.139 2.684 . 0 0 "[ . 1 . 2]" 1
640 1 70 LYS QG 1 71 LYS H 2.500 . 3.500 2.856 2.118 3.439 . 0 0 "[ . 1 . 2]" 1
641 1 70 LYS H 1 71 LYS H 4.400 . 5.400 4.560 4.438 4.621 . 0 0 "[ . 1 . 2]" 1
642 1 71 LYS H 1 71 LYS HA 2.700 . 3.700 2.779 2.757 2.806 . 0 0 "[ . 1 . 2]" 1
643 1 71 LYS H 1 71 LYS QE 5.200 . 6.200 5.205 3.343 6.105 . 0 0 "[ . 1 . 2]" 1
644 1 71 LYS H 1 72 ASP H 3.600 . 4.600 2.776 2.660 2.884 . 0 0 "[ . 1 . 2]" 1
645 1 6 PRO QB 1 72 ASP H 5.800 . 6.800 6.678 6.062 6.815 0.015 13 0 "[ . 1 . 2]" 1
646 1 6 PRO QG 1 72 ASP H 4.900 . 5.900 5.441 4.977 5.733 . 0 0 "[ . 1 . 2]" 1
647 1 70 LYS QG 1 72 ASP H 4.300 . 5.300 4.319 3.437 4.913 . 0 0 "[ . 1 . 2]" 1
648 1 72 ASP H 1 72 ASP HA 2.500 . 3.500 2.843 2.794 2.869 . 0 0 "[ . 1 . 2]" 1
649 1 72 ASP H 1 72 ASP HB2 3.600 . 4.600 2.324 2.108 3.596 . 0 0 "[ . 1 . 2]" 1
650 1 72 ASP H 1 72 ASP HB3 3.600 . 4.600 3.337 2.626 3.604 . 0 0 "[ . 1 . 2]" 1
651 1 72 ASP H 1 73 SER H 3.600 . 4.600 2.576 2.435 2.768 . 0 0 "[ . 1 . 2]" 1
652 1 73 SER H 1 73 SER HB2 3.100 . 4.100 3.566 2.473 3.922 . 0 0 "[ . 1 . 2]" 1
653 1 73 SER HA 1 74 VAL H 2.200 . 3.200 2.278 2.138 2.446 . 0 0 "[ . 1 . 2]" 1
654 1 73 SER HB2 1 74 VAL H 4.000 . 5.000 4.377 4.195 4.649 . 0 0 "[ . 1 . 2]" 1
655 1 73 SER HB3 1 74 VAL H 4.000 . 5.000 4.147 3.501 4.447 . 0 0 "[ . 1 . 2]" 1
656 1 74 VAL H 1 74 VAL HB 2.500 . 3.500 3.114 3.053 3.206 . 0 0 "[ . 1 . 2]" 1
657 1 74 VAL H 1 74 VAL MG1 2.500 . 3.500 1.930 1.916 1.983 . 0 0 "[ . 1 . 2]" 1
658 1 74 VAL H 1 74 VAL MG2 2.800 . 3.800 3.831 3.816 3.854 0.054 13 0 "[ . 1 . 2]" 1
659 1 74 VAL H 1 75 PHE HD2 3.900 . 4.900 4.307 3.759 4.847 . 0 0 "[ . 1 . 2]" 1
660 1 8 SER QB 1 75 PHE H 4.200 . 5.200 4.016 3.681 4.402 . 0 0 "[ . 1 . 2]" 1
661 1 9 VAL HA 1 75 PHE H 3.100 . 4.100 2.669 2.459 2.934 . 0 0 "[ . 1 . 2]" 1
662 1 9 VAL HB 1 75 PHE H 5.200 . 6.200 5.522 5.334 5.798 . 0 0 "[ . 1 . 2]" 1
663 1 9 VAL MG2 1 75 PHE H 4.200 . 5.200 3.520 3.235 3.803 . 0 0 "[ . 1 . 2]" 1
664 1 10 GLN H 1 75 PHE H 3.900 . 4.900 3.922 3.711 4.134 . 0 0 "[ . 1 . 2]" 1
665 1 74 VAL HA 1 75 PHE H 2.500 . 3.500 2.141 2.139 2.144 . 0 0 "[ . 1 . 2]" 1
666 1 74 VAL HB 1 75 PHE H 4.100 . 5.100 4.241 4.211 4.254 . 0 0 "[ . 1 . 2]" 1
667 1 74 VAL MG2 1 75 PHE H 2.500 . 3.500 2.818 2.745 2.854 . 0 0 "[ . 1 . 2]" 1
668 1 74 VAL H 1 75 PHE H 4.200 . 5.200 4.308 4.254 4.346 . 0 0 "[ . 1 . 2]" 1
669 1 75 PHE H 1 75 PHE HB2 3.100 . 4.100 3.202 2.361 3.334 . 0 0 "[ . 1 . 2]" 1
670 1 75 PHE H 1 75 PHE HB3 3.100 . 4.100 3.745 3.609 3.801 . 0 0 "[ . 1 . 2]" 1
671 1 75 PHE H 1 75 PHE HD1 3.600 . 4.600 3.029 2.507 4.805 0.205 18 0 "[ . 1 . 2]" 1
672 1 75 PHE H 1 75 PHE HD2 4.200 . 5.200 3.907 3.015 4.353 . 0 0 "[ . 1 . 2]" 1
673 1 75 PHE HA 1 76 VAL H 2.500 . 3.500 2.181 2.149 2.190 . 0 0 "[ . 1 . 2]" 1
674 1 75 PHE HB2 1 76 VAL H 3.600 . 4.600 3.566 3.462 4.182 . 0 0 "[ . 1 . 2]" 1
675 1 75 PHE HD1 1 76 VAL H 4.500 . 5.500 5.534 5.326 5.675 0.175 8 0 "[ . 1 . 2]" 1
676 1 75 PHE HD2 1 76 VAL H 5.000 . 6.000 5.237 4.117 5.631 . 0 0 "[ . 1 . 2]" 1
677 1 75 PHE H 1 76 VAL H 4.200 . 5.200 4.391 4.362 4.527 . 0 0 "[ . 1 . 2]" 1
678 1 76 VAL H 1 76 VAL QG 2.500 . 3.500 2.368 1.916 2.697 . 0 0 "[ . 1 . 2]" 1
679 1 76 VAL H 1 77 LEU H 4.500 . 5.500 4.512 4.277 4.575 . 0 0 "[ . 1 . 2]" 1
680 1 10 GLN H 1 77 LEU H 4.200 . 5.200 3.734 3.364 4.054 . 0 0 "[ . 1 . 2]" 1
681 1 76 VAL HA 1 77 LEU H 3.100 . 4.100 2.227 2.158 2.248 . 0 0 "[ . 1 . 2]" 1
682 1 77 LEU H 1 78 VAL QG 3.900 . 4.900 4.093 3.491 4.913 0.013 8 0 "[ . 1 . 2]" 1
683 1 48 TYR QD 1 78 VAL H 4.500 . 5.500 4.766 3.723 5.546 0.046 13 0 "[ . 1 . 2]" 1
684 1 77 LEU H 1 78 VAL H 4.300 . 5.300 4.451 4.265 4.553 . 0 0 "[ . 1 . 2]" 1
685 1 78 VAL H 1 78 VAL QG 2.500 . 3.500 2.387 1.903 2.926 . 0 0 "[ . 1 . 2]" 1
686 1 78 VAL HA 1 79 ARG H 2.500 . 3.500 2.282 2.196 2.501 . 0 0 "[ . 1 . 2]" 1
687 1 78 VAL HB 1 79 ARG H 3.700 . 4.700 3.262 2.159 4.034 . 0 0 "[ . 1 . 2]" 1
688 1 48 TYR HA 1 80 LYS H 3.100 . 4.100 2.943 2.161 3.773 . 0 0 "[ . 1 . 2]" 1
689 1 48 TYR HB2 1 80 LYS H 3.600 . 4.600 4.281 3.552 4.614 0.014 16 0 "[ . 1 . 2]" 1
690 1 48 TYR HB3 1 80 LYS H 4.200 . 5.200 3.866 2.791 5.201 0.001 4 0 "[ . 1 . 2]" 1
691 1 48 TYR QD 1 80 LYS H 5.100 . 6.100 4.388 1.949 6.102 0.002 11 0 "[ . 1 . 2]" 1
692 1 79 ARG HA 1 80 LYS H 2.500 . 3.500 2.188 2.139 2.442 . 0 0 "[ . 1 . 2]" 1
693 1 79 ARG QB 1 80 LYS H 3.000 . 4.000 3.245 2.452 3.905 . 0 0 "[ . 1 . 2]" 1
694 1 79 ARG QD 1 80 LYS H 4.800 . 5.800 4.631 3.783 5.527 . 0 0 "[ . 1 . 2]" 1
695 1 80 LYS H 1 80 LYS HB3 2.500 . 3.500 2.704 2.367 3.235 . 0 0 "[ . 1 . 2]" 1
696 1 80 LYS HA 1 81 ALA H 3.200 . 4.200 3.503 3.471 3.530 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 34
_Distance_constraint_stats_list.Viol_count 310
_Distance_constraint_stats_list.Viol_total 191.116
_Distance_constraint_stats_list.Viol_max 0.221
_Distance_constraint_stats_list.Viol_rms 0.0285
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0141
_Distance_constraint_stats_list.Viol_average_violations_only 0.0308
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 5 ILE 4.945 0.221 5 0 "[ . 1 . 2]"
1 7 VAL 0.878 0.045 20 0 "[ . 1 . 2]"
1 8 SER 0.519 0.078 19 0 "[ . 1 . 2]"
1 9 VAL 0.067 0.007 14 0 "[ . 1 . 2]"
1 10 GLN 0.410 0.063 20 0 "[ . 1 . 2]"
1 16 PHE 0.067 0.007 14 0 "[ . 1 . 2]"
1 18 LEU 0.878 0.045 20 0 "[ . 1 . 2]"
1 20 VAL 4.945 0.221 5 0 "[ . 1 . 2]"
1 26 LEU 0.146 0.037 9 0 "[ . 1 . 2]"
1 27 ARG 0.114 0.014 17 0 "[ . 1 . 2]"
1 28 ASP 0.765 0.065 9 0 "[ . 1 . 2]"
1 29 VAL 0.116 0.048 9 0 "[ . 1 . 2]"
1 30 LEU 0.441 0.037 9 0 "[ . 1 . 2]"
1 31 ARG 0.685 0.073 5 0 "[ . 1 . 2]"
1 32 GLN 0.765 0.065 9 0 "[ . 1 . 2]"
1 33 PHE 0.116 0.048 9 0 "[ . 1 . 2]"
1 34 LYS 0.295 0.030 5 0 "[ . 1 . 2]"
1 35 ARG 0.571 0.073 5 0 "[ . 1 . 2]"
1 51 ASN 0.731 0.059 8 0 "[ . 1 . 2]"
1 73 SER 0.178 0.078 19 0 "[ . 1 . 2]"
1 75 PHE 0.722 0.063 20 0 "[ . 1 . 2]"
1 76 VAL 0.731 0.059 8 0 "[ . 1 . 2]"
1 77 LEU 0.029 0.021 9 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 5 ILE H 1 20 VAL O 2.900 2.750 3.050 2.646 2.529 2.683 0.221 5 0 "[ . 1 . 2]" 2
2 1 5 ILE N 1 20 VAL O 3.010 2.860 3.160 3.270 3.230 3.351 0.191 17 0 "[ . 1 . 2]" 2
3 1 5 ILE O 1 20 VAL H 2.100 . 2.250 2.277 2.231 2.337 0.087 5 0 "[ . 1 . 2]" 2
4 1 5 ILE O 1 20 VAL N 3.080 2.930 3.230 3.216 3.088 3.253 0.023 5 0 "[ . 1 . 2]" 2
5 1 7 VAL H 1 18 LEU O 1.940 . 2.090 1.893 1.799 2.119 0.029 17 0 "[ . 1 . 2]" 2
6 1 7 VAL N 1 18 LEU O 2.930 2.780 3.080 2.758 2.738 2.777 0.042 20 0 "[ . 1 . 2]" 2
7 1 7 VAL O 1 18 LEU H 1.970 . 2.120 2.108 1.862 2.165 0.045 20 0 "[ . 1 . 2]" 2
8 1 7 VAL O 1 18 LEU N 2.920 2.770 3.070 3.057 2.814 3.094 0.024 17 0 "[ . 1 . 2]" 2
9 1 8 SER H 1 73 SER O 1.970 . 2.120 1.963 1.808 2.198 0.078 19 0 "[ . 1 . 2]" 2
10 1 8 SER N 1 73 SER O 2.940 2.790 3.090 2.903 2.766 3.094 0.024 12 0 "[ . 1 . 2]" 2
11 1 8 SER O 1 75 PHE H 2.080 . 2.230 2.119 2.011 2.188 . 0 0 "[ . 1 . 2]" 2
12 1 8 SER O 1 75 PHE N 2.910 2.760 3.060 3.068 2.967 3.121 0.061 12 0 "[ . 1 . 2]" 2
13 1 9 VAL H 1 16 PHE O 2.060 . 2.210 2.087 1.943 2.217 0.007 19 0 "[ . 1 . 2]" 2
14 1 9 VAL N 1 16 PHE O 3.000 2.850 3.150 2.942 2.844 3.075 0.006 4 0 "[ . 1 . 2]" 2
15 1 9 VAL O 1 16 PHE H 1.960 . 2.110 2.055 1.844 2.115 0.005 7 0 "[ . 1 . 2]" 2
16 1 9 VAL O 1 16 PHE N 2.930 2.780 3.080 3.018 2.810 3.087 0.007 14 0 "[ . 1 . 2]" 2
17 1 10 GLN H 1 75 PHE O 2.010 . 2.160 1.908 1.856 2.166 0.006 18 0 "[ . 1 . 2]" 2
18 1 10 GLN N 1 75 PHE O 3.000 2.850 3.150 2.854 2.787 3.143 0.063 20 0 "[ . 1 . 2]" 2
19 1 10 GLN O 1 77 LEU H 1.990 . 2.140 2.009 1.859 2.145 0.005 17 0 "[ . 1 . 2]" 2
20 1 10 GLN O 1 77 LEU N 2.890 2.740 3.040 2.851 2.739 3.061 0.021 9 0 "[ . 1 . 2]" 2
21 1 26 LEU O 1 30 LEU H 1.980 . 2.130 1.848 1.793 2.004 0.037 9 0 "[ . 1 . 2]" 2
22 1 26 LEU O 1 30 LEU N 2.890 2.740 3.040 2.816 2.729 2.969 0.011 16 0 "[ . 1 . 2]" 2
23 1 27 ARG O 1 31 ARG H 2.090 . 2.240 2.227 2.103 2.254 0.014 17 0 "[ . 1 . 2]" 2
24 1 27 ARG O 1 31 ARG N 3.000 2.850 3.150 3.051 2.952 3.103 . 0 0 "[ . 1 . 2]" 2
25 1 28 ASP O 1 32 GLN H 2.070 . 2.220 2.256 2.229 2.285 0.065 9 0 "[ . 1 . 2]" 2
26 1 28 ASP O 1 32 GLN N 3.050 2.900 3.200 3.188 3.090 3.235 0.035 16 0 "[ . 1 . 2]" 2
27 1 29 VAL O 1 33 PHE H 1.970 . 2.120 2.089 2.011 2.168 0.048 9 0 "[ . 1 . 2]" 2
28 1 29 VAL O 1 33 PHE N 2.960 2.810 3.110 3.043 2.945 3.121 0.011 17 0 "[ . 1 . 2]" 2
29 1 30 LEU O 1 34 LYS H 1.920 . 2.070 1.853 1.788 2.079 0.009 16 0 "[ . 1 . 2]" 2
30 1 30 LEU O 1 34 LYS N 2.920 2.770 3.070 2.776 2.740 2.957 0.030 5 0 "[ . 1 . 2]" 2
31 1 31 ARG O 1 35 ARG H 2.070 . 2.220 2.248 2.207 2.293 0.073 5 0 "[ . 1 . 2]" 2
32 1 31 ARG O 1 35 ARG N 2.950 2.800 3.100 3.011 2.963 3.065 . 0 0 "[ . 1 . 2]" 2
33 1 51 ASN O 1 76 VAL H 2.000 . 2.150 2.178 2.153 2.209 0.059 8 0 "[ . 1 . 2]" 2
34 1 51 ASN O 1 76 VAL N 3.000 2.850 3.150 2.866 2.803 2.940 0.047 19 0 "[ . 1 . 2]" 2
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