NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
495133 |
2ksc   |
16306 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ksc
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 1198
_Distance_constraint_stats_list.Viol_count 85
_Distance_constraint_stats_list.Viol_total 33.619
_Distance_constraint_stats_list.Viol_max 0.151
_Distance_constraint_stats_list.Viol_rms 0.0022
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0247
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 3 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 4 TYR 0.142 0.055 9 0 "[ . 1 . ]"
1 5 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 6 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 7 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 8 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 9 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 10 ALA 0.142 0.055 9 0 "[ . 1 . ]"
1 11 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 12 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 13 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 14 ASP 0.001 0.001 1 0 "[ . 1 . ]"
1 15 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 16 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 17 VAL 0.001 0.001 1 0 "[ . 1 . ]"
1 18 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 19 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 20 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 21 TYR 0.032 0.023 13 0 "[ . 1 . ]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 23 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 24 VAL 0.042 0.034 12 0 "[ . 1 . ]"
1 25 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 26 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 27 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 28 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 29 ARG 0.048 0.028 9 0 "[ . 1 . ]"
1 30 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 31 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 32 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 33 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 34 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 35 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 36 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 37 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 38 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 39 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 40 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 41 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 42 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 43 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 44 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 45 HIS 0.404 0.043 14 0 "[ . 1 . ]"
1 46 GLN 0.074 0.034 12 0 "[ . 1 . ]"
1 47 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 48 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 49 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 50 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 51 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 52 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 53 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 54 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 55 GLY 0.096 0.045 9 0 "[ . 1 . ]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 57 THR 0.096 0.045 9 0 "[ . 1 . ]"
1 58 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 59 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 60 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 62 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 64 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 65 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 66 ARG 0.121 0.031 13 0 "[ . 1 . ]"
1 67 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 68 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 69 HIS 0.390 0.050 3 0 "[ . 1 . ]"
1 70 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 71 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 72 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 73 VAL 0.014 0.010 12 0 "[ . 1 . ]"
1 74 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 75 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 76 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 78 LEU 0.014 0.010 12 0 "[ . 1 . ]"
1 79 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 80 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 81 VAL 0.229 0.056 16 0 "[ . 1 . ]"
1 82 HIS 0.278 0.056 16 0 "[ . 1 . ]"
1 83 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 84 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 85 ALA 0.011 0.008 2 0 "[ . 1 . ]"
1 86 ILE 0.011 0.008 2 0 "[ . 1 . ]"
1 87 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 88 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 89 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 90 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 91 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 92 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 93 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 94 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 95 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 96 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 97 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 98 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 99 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 100 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 101 GLN 0.059 0.028 11 0 "[ . 1 . ]"
1 102 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 103 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 104 ILE 0.035 0.028 11 0 "[ . 1 . ]"
1 105 ASP 0.006 0.006 11 0 "[ . 1 . ]"
1 106 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 107 VAL 0.026 0.014 11 0 "[ . 1 . ]"
1 108 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 109 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 110 ILE 0.026 0.014 11 0 "[ . 1 . ]"
1 111 VAL 0.003 0.003 1 0 "[ . 1 . ]"
1 112 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 113 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 114 VAL 0.390 0.151 7 0 "[ . 1 . ]"
1 115 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 116 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 117 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 118 ASN 0.474 0.151 7 0 "[ . 1 . ]"
1 119 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 120 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 121 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 122 ASN 0.121 0.031 13 0 "[ . 1 . ]"
1 123 ARG 0.126 0.061 8 0 "[ . 1 . ]"
2 1 . 0.722 0.050 3 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 SER HB3 1 3 LEU H 4.000 . 5.500 3.450 2.529 4.029 . 0 0 "[ . 1 . ]" 1
2 1 2 SER HB2 1 3 LEU H 4.000 . 5.500 3.639 2.598 4.162 . 0 0 "[ . 1 . ]" 1
3 1 3 LEU HA 1 3 LEU HG 4.000 . 5.500 2.929 2.801 3.283 . 0 0 "[ . 1 . ]" 1
4 1 3 LEU HA 1 3 LEU MD1 3.500 . 3.800 2.131 2.087 2.190 . 0 0 "[ . 1 . ]" 1
5 1 3 LEU HB3 1 4 TYR H 3.000 . 3.300 2.658 2.441 2.735 . 0 0 "[ . 1 . ]" 1
6 1 3 LEU HA 1 5 GLU H 4.000 . 5.500 4.297 3.887 4.458 . 0 0 "[ . 1 . ]" 1
7 1 3 LEU HA 1 6 LYS H 4.000 . 5.500 3.399 3.226 3.908 . 0 0 "[ . 1 . ]" 1
8 1 3 LEU HG 1 7 LEU MD1 4.500 . 6.000 2.840 2.238 3.860 . 0 0 "[ . 1 . ]" 1
9 1 3 LEU MD1 1 50 MET ME 6.000 . 7.500 4.612 3.623 5.041 . 0 0 "[ . 1 . ]" 1
10 1 3 LEU MD1 1 51 THR HA 4.500 . 6.000 3.487 2.037 4.585 . 0 0 "[ . 1 . ]" 1
11 1 3 LEU MD1 1 54 PHE HB2 4.500 . 6.000 2.887 2.165 4.028 . 0 0 "[ . 1 . ]" 1
12 1 3 LEU MD1 1 54 PHE QD 5.000 . 6.500 2.698 2.151 3.792 . 0 0 "[ . 1 . ]" 1
13 1 3 LEU MD1 1 54 PHE QE 6.000 . 7.500 3.420 2.435 4.373 . 0 0 "[ . 1 . ]" 1
14 1 4 TYR H 1 4 TYR HA 3.000 . 3.300 2.804 2.764 2.840 . 0 0 "[ . 1 . ]" 1
15 1 4 TYR HA 1 5 GLU H 6.000 . 7.500 3.539 3.444 3.555 . 0 0 "[ . 1 . ]" 1
16 1 4 TYR QB 1 5 GLU H 4.500 . 6.000 2.638 2.475 3.677 . 0 0 "[ . 1 . ]" 1
17 1 4 TYR H 1 6 LYS H 5.000 . 6.500 4.167 4.052 4.555 . 0 0 "[ . 1 . ]" 1
18 1 4 TYR HA 1 7 LEU H 5.000 . 6.500 3.694 3.178 3.909 . 0 0 "[ . 1 . ]" 1
19 1 4 TYR HA 1 7 LEU HG 5.000 . 6.500 4.216 3.456 5.228 . 0 0 "[ . 1 . ]" 1
20 1 4 TYR HA 1 7 LEU HB2 4.000 . 5.500 3.397 2.569 4.144 . 0 0 "[ . 1 . ]" 1
21 1 4 TYR HA 1 9 GLY H 5.000 . 6.500 3.859 3.050 4.343 . 0 0 "[ . 1 . ]" 1
22 1 4 TYR QD 1 10 ALA MB 5.000 . 6.500 2.795 2.026 3.475 . 0 0 "[ . 1 . ]" 1
23 1 4 TYR QD 1 10 ALA HA 4.500 . 6.000 2.696 2.267 4.221 . 0 0 "[ . 1 . ]" 1
24 1 4 TYR QE 1 10 ALA MB 5.000 . 6.500 2.808 2.022 4.139 . 0 0 "[ . 1 . ]" 1
25 1 4 TYR QE 1 10 ALA HA 4.500 . 6.000 3.699 2.313 5.312 . 0 0 "[ . 1 . ]" 1
26 1 4 TYR QE 1 10 ALA H 5.500 . 7.000 3.858 1.745 6.396 0.055 9 0 "[ . 1 . ]" 1
27 1 4 TYR HA 1 13 VAL MG2 4.500 . 6.000 3.105 2.102 4.776 . 0 0 "[ . 1 . ]" 1
28 1 4 TYR QD 1 13 VAL MG2 6.000 . 7.500 3.235 2.203 5.378 . 0 0 "[ . 1 . ]" 1
29 1 4 TYR QE 1 13 VAL MG2 6.000 . 7.500 4.178 2.511 5.616 . 0 0 "[ . 1 . ]" 1
30 1 5 GLU H 1 5 GLU HA 3.000 . 3.300 2.829 2.794 2.856 . 0 0 "[ . 1 . ]" 1
31 1 5 GLU H 1 5 GLU QB 3.500 . 3.800 2.287 2.215 2.409 . 0 0 "[ . 1 . ]" 1
32 1 5 GLU H 1 6 LYS H 2.800 . 3.000 2.643 2.579 2.747 . 0 0 "[ . 1 . ]" 1
33 1 5 GLU HA 1 6 LYS H 4.000 . 5.500 3.529 3.466 3.545 . 0 0 "[ . 1 . ]" 1
34 1 5 GLU HA 1 7 LEU H 5.000 . 6.500 4.709 4.116 4.954 . 0 0 "[ . 1 . ]" 1
35 1 5 GLU HA 1 9 GLY H 5.000 . 6.500 5.144 2.476 6.013 . 0 0 "[ . 1 . ]" 1
36 1 6 LYS H 1 7 LEU H 2.800 . 3.000 2.774 2.570 2.897 . 0 0 "[ . 1 . ]" 1
37 1 6 LYS HB2 1 7 LEU H 4.000 . 5.500 2.874 2.268 3.754 . 0 0 "[ . 1 . ]" 1
38 1 7 LEU H 1 7 LEU HA 3.000 . 3.300 2.871 2.826 2.946 . 0 0 "[ . 1 . ]" 1
39 1 7 LEU H 1 7 LEU HB2 2.500 . 2.700 2.535 2.508 2.689 . 0 0 "[ . 1 . ]" 1
40 1 7 LEU H 1 7 LEU MD2 4.500 . 6.000 3.115 2.742 3.317 . 0 0 "[ . 1 . ]" 1
41 1 7 LEU HA 1 7 LEU MD2 3.500 . 3.800 2.045 2.029 2.137 . 0 0 "[ . 1 . ]" 1
42 1 7 LEU HB3 1 8 GLY H 5.000 . 6.500 3.858 3.708 4.391 . 0 0 "[ . 1 . ]" 1
43 1 7 LEU HB2 1 8 GLY H 5.000 . 6.500 2.794 2.486 3.677 . 0 0 "[ . 1 . ]" 1
44 1 7 LEU H 1 8 GLY H 3.000 . 3.300 2.505 2.157 2.647 . 0 0 "[ . 1 . ]" 1
45 1 7 LEU H 1 9 GLY H 5.000 . 6.500 4.058 3.189 4.367 . 0 0 "[ . 1 . ]" 1
46 1 7 LEU HB2 1 9 GLY H 6.000 . 7.500 2.564 2.446 3.486 . 0 0 "[ . 1 . ]" 1
47 1 7 LEU MD1 1 13 VAL HA 4.500 . 6.000 2.886 2.026 3.373 . 0 0 "[ . 1 . ]" 1
48 1 7 LEU MD1 1 13 VAL MG2 5.000 . 6.500 1.899 1.835 2.003 . 0 0 "[ . 1 . ]" 1
49 1 7 LEU MD1 1 16 ALA MB 4.000 . 5.500 3.537 3.050 3.880 . 0 0 "[ . 1 . ]" 1
50 1 7 LEU MD1 1 50 MET ME 6.000 . 7.500 3.962 2.235 5.026 . 0 0 "[ . 1 . ]" 1
51 1 7 LEU MD1 1 54 PHE QE 6.000 . 7.500 4.198 2.450 5.102 . 0 0 "[ . 1 . ]" 1
52 1 7 LEU MD2 1 54 PHE QD 6.000 . 7.500 4.455 2.478 5.634 . 0 0 "[ . 1 . ]" 1
53 1 7 LEU MD2 1 54 PHE QE 5.000 . 6.500 3.378 2.343 4.682 . 0 0 "[ . 1 . ]" 1
54 1 7 LEU MD2 1 54 PHE HZ 4.500 . 6.000 3.853 2.731 4.810 . 0 0 "[ . 1 . ]" 1
55 1 8 GLY H 1 8 GLY HA3 3.000 . 3.300 2.910 2.872 2.940 . 0 0 "[ . 1 . ]" 1
56 1 8 GLY H 1 8 GLY HA2 2.500 . 2.700 2.343 2.313 2.383 . 0 0 "[ . 1 . ]" 1
57 1 8 GLY HA2 1 9 GLY H 4.000 . 5.500 3.171 2.989 3.261 . 0 0 "[ . 1 . ]" 1
58 1 8 GLY HA3 1 9 GLY H 5.000 . 6.500 3.380 3.305 3.493 . 0 0 "[ . 1 . ]" 1
59 1 8 GLY H 1 9 GLY H 2.800 . 3.000 2.375 2.191 2.536 . 0 0 "[ . 1 . ]" 1
60 1 9 GLY H 1 10 ALA H 5.000 . 6.500 3.946 3.759 4.401 . 0 0 "[ . 1 . ]" 1
61 1 9 GLY H 1 12 ALA MB 5.500 . 7.000 3.905 3.567 4.251 . 0 0 "[ . 1 . ]" 1
62 1 9 GLY H 1 13 VAL MG2 5.500 . 7.000 4.088 3.422 4.888 . 0 0 "[ . 1 . ]" 1
63 1 10 ALA HA 1 11 ALA H 4.000 . 5.500 3.527 3.472 3.574 . 0 0 "[ . 1 . ]" 1
64 1 10 ALA MB 1 11 ALA H 3.500 . 3.800 2.659 2.131 2.881 . 0 0 "[ . 1 . ]" 1
65 1 10 ALA HA 1 13 VAL HB 4.000 . 5.500 3.266 2.526 3.761 . 0 0 "[ . 1 . ]" 1
66 1 11 ALA H 1 11 ALA HA 3.000 . 3.300 2.817 2.739 2.833 . 0 0 "[ . 1 . ]" 1
67 1 11 ALA H 1 12 ALA H 3.000 . 3.300 2.664 2.591 2.904 . 0 0 "[ . 1 . ]" 1
68 1 11 ALA HA 1 14 ASP QB 4.500 . 6.000 3.323 2.639 3.675 . 0 0 "[ . 1 . ]" 1
69 1 11 ALA HA 1 14 ASP H 4.000 . 5.500 3.531 2.988 3.642 . 0 0 "[ . 1 . ]" 1
70 1 11 ALA MB 1 15 LEU H 5.500 . 7.000 4.932 4.293 5.385 . 0 0 "[ . 1 . ]" 1
71 1 12 ALA H 1 12 ALA HA 3.000 . 3.300 2.823 2.742 2.847 . 0 0 "[ . 1 . ]" 1
72 1 12 ALA MB 1 13 VAL H 4.500 . 6.000 2.744 2.595 2.874 . 0 0 "[ . 1 . ]" 1
73 1 12 ALA H 1 13 VAL H 2.800 . 3.000 2.628 2.537 2.821 . 0 0 "[ . 1 . ]" 1
74 1 12 ALA HA 1 15 LEU MD2 4.500 . 6.000 3.658 3.050 4.595 . 0 0 "[ . 1 . ]" 1
75 1 13 VAL HA 1 13 VAL MG1 3.500 . 3.800 2.334 2.264 2.366 . 0 0 "[ . 1 . ]" 1
76 1 13 VAL HA 1 13 VAL MG2 3.500 . 3.800 2.315 2.227 2.411 . 0 0 "[ . 1 . ]" 1
77 1 13 VAL H 1 13 VAL MG2 3.500 . 3.800 2.211 2.022 2.343 . 0 0 "[ . 1 . ]" 1
78 1 13 VAL H 1 13 VAL HA 3.000 . 3.300 2.818 2.801 2.887 . 0 0 "[ . 1 . ]" 1
79 1 13 VAL HB 1 14 ASP H 2.500 . 2.700 2.568 2.445 2.679 . 0 0 "[ . 1 . ]" 1
80 1 13 VAL MG1 1 14 ASP HA 4.500 . 6.000 3.425 3.327 3.634 . 0 0 "[ . 1 . ]" 1
81 1 13 VAL MG1 1 14 ASP H 4.500 . 6.000 3.355 3.234 3.510 . 0 0 "[ . 1 . ]" 1
82 1 13 VAL H 1 14 ASP H 2.800 . 3.000 2.708 2.449 2.781 . 0 0 "[ . 1 . ]" 1
83 1 13 VAL HA 1 16 ALA MB 4.500 . 6.000 2.718 2.321 3.212 . 0 0 "[ . 1 . ]" 1
84 1 13 VAL HA 1 16 ALA H 4.000 . 5.500 3.486 3.249 3.720 . 0 0 "[ . 1 . ]" 1
85 1 13 VAL HA 1 17 VAL H 5.000 . 6.500 4.132 3.677 4.632 . 0 0 "[ . 1 . ]" 1
86 1 13 VAL MG1 1 17 VAL MG2 5.000 . 6.500 2.368 1.926 2.821 . 0 0 "[ . 1 . ]" 1
87 1 13 VAL MG1 1 17 VAL H 4.500 . 6.000 3.868 3.367 4.348 . 0 0 "[ . 1 . ]" 1
88 1 14 ASP H 1 14 ASP HA 3.000 . 3.300 2.809 2.788 2.828 . 0 0 "[ . 1 . ]" 1
89 1 14 ASP QB 1 15 LEU H 3.500 . 3.800 2.600 2.428 3.373 . 0 0 "[ . 1 . ]" 1
90 1 14 ASP HA 1 17 VAL MG2 4.500 . 6.000 3.095 2.576 3.893 . 0 0 "[ . 1 . ]" 1
91 1 14 ASP HA 1 17 VAL HB 3.000 . 3.300 2.774 2.418 3.301 0.001 1 0 "[ . 1 . ]" 1
92 1 14 ASP HA 1 17 VAL H 4.000 . 5.500 3.528 3.277 3.976 . 0 0 "[ . 1 . ]" 1
93 1 15 LEU H 1 15 LEU QB 3.500 . 5.000 2.303 2.173 2.503 . 0 0 "[ . 1 . ]" 1
94 1 15 LEU H 1 15 LEU HA 3.000 . 3.300 2.830 2.792 2.860 . 0 0 "[ . 1 . ]" 1
95 1 15 LEU H 1 16 ALA H 2.800 . 3.000 2.659 2.571 2.777 . 0 0 "[ . 1 . ]" 1
96 1 15 LEU QB 1 16 ALA H 3.500 . 3.800 2.588 2.406 2.695 . 0 0 "[ . 1 . ]" 1
97 1 16 ALA H 1 16 ALA HA 3.000 . 3.300 2.834 2.750 2.859 . 0 0 "[ . 1 . ]" 1
98 1 16 ALA HA 1 17 VAL H 4.000 . 5.500 3.536 3.519 3.557 . 0 0 "[ . 1 . ]" 1
99 1 16 ALA MB 1 17 VAL H 4.500 . 6.000 2.608 2.412 2.743 . 0 0 "[ . 1 . ]" 1
100 1 16 ALA H 1 17 VAL H 2.800 . 3.000 2.630 2.550 2.898 . 0 0 "[ . 1 . ]" 1
101 1 16 ALA HA 1 19 LYS HB2 4.000 . 5.500 3.248 3.057 3.551 . 0 0 "[ . 1 . ]" 1
102 1 16 ALA HA 1 19 LYS H 4.000 . 5.500 3.648 3.494 3.938 . 0 0 "[ . 1 . ]" 1
103 1 16 ALA MB 1 50 MET ME 5.000 . 6.500 2.381 1.979 3.053 . 0 0 "[ . 1 . ]" 1
104 1 16 ALA HA 1 93 THR MG 4.500 . 6.000 4.397 3.451 5.039 . 0 0 "[ . 1 . ]" 1
105 1 16 ALA HA 1 97 LEU MD2 4.500 . 6.000 3.800 2.832 4.640 . 0 0 "[ . 1 . ]" 1
106 1 17 VAL HA 1 17 VAL MG2 3.500 . 3.800 2.320 2.235 2.372 . 0 0 "[ . 1 . ]" 1
107 1 17 VAL HB 1 18 GLU H 3.000 . 3.300 2.655 2.449 2.722 . 0 0 "[ . 1 . ]" 1
108 1 17 VAL MG1 1 18 GLU H 4.500 . 6.000 3.383 3.262 3.457 . 0 0 "[ . 1 . ]" 1
109 1 17 VAL MG2 1 18 GLU H 5.500 . 7.000 3.930 3.810 3.961 . 0 0 "[ . 1 . ]" 1
110 1 17 VAL H 1 18 GLU H 3.000 . 3.300 2.643 2.583 2.683 . 0 0 "[ . 1 . ]" 1
111 1 17 VAL HA 1 20 PHE HB3 3.000 . 3.300 2.944 2.576 3.292 . 0 0 "[ . 1 . ]" 1
112 1 17 VAL HA 1 20 PHE H 4.000 . 5.500 3.458 3.355 3.565 . 0 0 "[ . 1 . ]" 1
113 1 17 VAL HA 1 20 PHE QD 4.500 . 6.000 4.568 4.279 5.023 . 0 0 "[ . 1 . ]" 1
114 1 17 VAL HA 1 21 TYR H 4.000 . 5.500 4.016 3.747 4.395 . 0 0 "[ . 1 . ]" 1
115 1 17 VAL MG1 1 21 TYR H 4.500 . 6.000 3.615 3.259 3.930 . 0 0 "[ . 1 . ]" 1
116 1 17 VAL MG1 1 21 TYR HB2 4.500 . 6.000 3.135 2.650 3.578 . 0 0 "[ . 1 . ]" 1
117 1 17 VAL MG1 1 46 GLN HB3 4.500 . 6.000 3.247 2.390 3.847 . 0 0 "[ . 1 . ]" 1
118 1 17 VAL MG1 1 46 GLN HB2 4.500 . 6.000 3.527 2.951 4.250 . 0 0 "[ . 1 . ]" 1
119 1 17 VAL MG1 1 47 LYS H 4.500 . 6.000 4.115 3.601 4.822 . 0 0 "[ . 1 . ]" 1
120 1 17 VAL MG2 1 47 LYS HA 4.500 . 6.000 3.085 2.634 3.787 . 0 0 "[ . 1 . ]" 1
121 1 17 VAL MG2 1 47 LYS HB2 4.500 . 6.000 4.005 3.426 4.593 . 0 0 "[ . 1 . ]" 1
122 1 17 VAL MG2 1 47 LYS H 5.500 . 7.000 4.832 4.153 5.354 . 0 0 "[ . 1 . ]" 1
123 1 17 VAL HA 1 50 MET ME 5.500 . 7.000 3.901 2.283 4.819 . 0 0 "[ . 1 . ]" 1
124 1 17 VAL MG2 1 50 MET HB2 4.500 . 6.000 3.990 2.799 4.899 . 0 0 "[ . 1 . ]" 1
125 1 17 VAL MG2 1 50 MET HB3 4.500 . 6.000 3.744 2.643 4.798 . 0 0 "[ . 1 . ]" 1
126 1 17 VAL MG2 1 50 MET ME 6.000 . 7.500 3.444 2.501 3.927 . 0 0 "[ . 1 . ]" 1
127 1 17 VAL H 1 50 MET ME 4.500 . 6.000 4.409 3.519 4.866 . 0 0 "[ . 1 . ]" 1
128 1 18 GLU H 1 18 GLU HA 3.000 . 3.300 2.803 2.763 2.821 . 0 0 "[ . 1 . ]" 1
129 1 18 GLU QB 1 19 LYS H 4.500 . 6.000 2.546 2.364 2.655 . 0 0 "[ . 1 . ]" 1
130 1 18 GLU HA 1 21 TYR H 4.000 . 5.500 3.518 3.368 3.714 . 0 0 "[ . 1 . ]" 1
131 1 19 LYS H 1 19 LYS HB3 4.000 . 5.500 3.588 3.572 3.599 . 0 0 "[ . 1 . ]" 1
132 1 19 LYS H 1 19 LYS HB2 3.000 . 3.300 2.455 2.326 2.575 . 0 0 "[ . 1 . ]" 1
133 1 19 LYS H 1 19 LYS HA 3.000 . 3.300 2.823 2.806 2.830 . 0 0 "[ . 1 . ]" 1
134 1 19 LYS H 1 20 PHE H 3.000 . 3.300 2.690 2.641 2.815 . 0 0 "[ . 1 . ]" 1
135 1 19 LYS HB3 1 20 PHE H 4.000 . 5.500 3.564 3.299 3.730 . 0 0 "[ . 1 . ]" 1
136 1 19 LYS HB2 1 20 PHE H 3.000 . 3.300 2.574 2.424 2.653 . 0 0 "[ . 1 . ]" 1
137 1 19 LYS HB3 1 93 THR MG 3.500 . 5.000 3.171 2.482 3.664 . 0 0 "[ . 1 . ]" 1
138 1 19 LYS HB2 1 93 THR MG 3.500 . 5.000 3.087 2.478 3.598 . 0 0 "[ . 1 . ]" 1
139 1 20 PHE H 1 20 PHE HA 3.000 . 3.300 2.835 2.803 2.858 . 0 0 "[ . 1 . ]" 1
140 1 20 PHE HB3 1 21 TYR H 4.000 . 5.500 2.497 2.295 2.586 . 0 0 "[ . 1 . ]" 1
141 1 20 PHE HB2 1 21 TYR H 4.000 . 5.500 3.796 3.649 3.889 . 0 0 "[ . 1 . ]" 1
142 1 20 PHE H 1 21 TYR H 3.000 . 3.300 2.661 2.592 2.788 . 0 0 "[ . 1 . ]" 1
143 1 20 PHE HA 1 24 VAL MG2 5.500 . 7.000 4.184 3.776 4.578 . 0 0 "[ . 1 . ]" 1
144 1 20 PHE QD 1 24 VAL MG2 4.000 . 5.500 2.830 2.327 3.308 . 0 0 "[ . 1 . ]" 1
145 1 20 PHE QE 1 24 VAL MG2 4.000 . 5.500 2.449 2.162 2.916 . 0 0 "[ . 1 . ]" 1
146 1 20 PHE HZ 1 24 VAL MG2 5.500 . 7.000 3.334 2.986 3.939 . 0 0 "[ . 1 . ]" 1
147 1 20 PHE QE 1 46 GLN HA 4.500 . 6.000 3.787 3.003 4.318 . 0 0 "[ . 1 . ]" 1
148 1 20 PHE QD 1 46 GLN HB3 4.500 . 6.000 2.897 2.285 3.468 . 0 0 "[ . 1 . ]" 1
149 1 20 PHE QE 1 46 GLN HB3 4.500 . 6.000 3.826 2.921 4.395 . 0 0 "[ . 1 . ]" 1
150 1 20 PHE QE 1 46 GLN HG3 4.500 . 6.000 2.290 2.264 2.352 . 0 0 "[ . 1 . ]" 1
151 1 20 PHE QD 1 46 GLN HG3 4.500 . 6.000 2.748 2.279 3.555 . 0 0 "[ . 1 . ]" 1
152 1 20 PHE QE 1 49 PHE HB3 4.500 . 6.000 4.476 3.005 5.188 . 0 0 "[ . 1 . ]" 1
153 1 20 PHE HZ 1 49 PHE QD 5.500 . 7.000 4.054 3.020 4.818 . 0 0 "[ . 1 . ]" 1
154 1 20 PHE HZ 1 49 PHE QE 5.500 . 7.000 3.710 2.289 4.399 . 0 0 "[ . 1 . ]" 1
155 1 20 PHE HZ 1 49 PHE HB3 5.000 . 6.500 5.404 4.481 6.021 . 0 0 "[ . 1 . ]" 1
156 1 20 PHE QD 1 50 MET ME 6.000 . 7.500 4.797 3.679 5.692 . 0 0 "[ . 1 . ]" 1
157 1 20 PHE HB2 1 50 MET ME 4.500 . 6.000 4.064 2.791 5.057 . 0 0 "[ . 1 . ]" 1
158 1 20 PHE HB3 1 50 MET ME 5.500 . 7.000 4.811 3.170 5.763 . 0 0 "[ . 1 . ]" 1
159 1 20 PHE QE 1 50 MET H 5.500 . 7.000 5.742 4.378 6.464 . 0 0 "[ . 1 . ]" 1
160 1 20 PHE QE 1 86 ILE MD 5.000 . 6.500 3.498 3.091 3.856 . 0 0 "[ . 1 . ]" 1
161 1 20 PHE QE 1 86 ILE MG 6.000 . 7.500 5.095 4.859 5.368 . 0 0 "[ . 1 . ]" 1
162 1 20 PHE QE 1 86 ILE HG12 5.500 . 7.000 3.953 3.726 4.230 . 0 0 "[ . 1 . ]" 1
163 1 20 PHE HZ 1 86 ILE MG 4.500 . 6.000 4.388 4.061 4.720 . 0 0 "[ . 1 . ]" 1
164 1 20 PHE HZ 1 86 ILE MD 5.500 . 7.000 3.309 2.934 3.549 . 0 0 "[ . 1 . ]" 1
165 1 20 PHE HZ 1 86 ILE HG13 5.000 . 6.500 3.149 2.427 3.796 . 0 0 "[ . 1 . ]" 1
166 1 20 PHE HZ 1 86 ILE HG12 4.000 . 5.500 2.683 2.358 3.034 . 0 0 "[ . 1 . ]" 1
167 1 20 PHE QD 1 89 ASN HB3 4.500 . 6.000 4.447 4.129 4.967 . 0 0 "[ . 1 . ]" 1
168 1 20 PHE QE 1 89 ASN HB3 4.500 . 6.000 3.492 3.039 3.957 . 0 0 "[ . 1 . ]" 1
169 1 20 PHE QE 1 89 ASN HB2 4.500 . 6.000 3.151 2.432 3.634 . 0 0 "[ . 1 . ]" 1
170 1 20 PHE HB2 1 90 LEU MD1 4.500 . 6.000 4.125 3.564 4.860 . 0 0 "[ . 1 . ]" 1
171 1 20 PHE QE 1 90 LEU H 5.500 . 7.000 3.048 2.746 3.532 . 0 0 "[ . 1 . ]" 1
172 1 20 PHE QD 1 90 LEU HA 4.500 . 6.000 2.890 2.461 3.301 . 0 0 "[ . 1 . ]" 1
173 1 20 PHE QE 1 90 LEU HA 4.500 . 6.000 2.287 2.266 2.348 . 0 0 "[ . 1 . ]" 1
174 1 20 PHE HZ 1 90 LEU HB2 4.000 . 5.500 3.909 3.634 4.234 . 0 0 "[ . 1 . ]" 1
175 1 20 PHE QE 1 90 LEU MD1 5.000 . 6.500 2.549 2.229 3.385 . 0 0 "[ . 1 . ]" 1
176 1 20 PHE QD 1 90 LEU MD1 5.000 . 6.500 2.916 2.482 3.338 . 0 0 "[ . 1 . ]" 1
177 1 20 PHE HA 1 93 THR MG 4.500 . 6.000 3.078 2.408 3.579 . 0 0 "[ . 1 . ]" 1
178 1 20 PHE HB2 1 93 THR MG 3.500 . 3.800 2.658 2.484 2.848 . 0 0 "[ . 1 . ]" 1
179 1 20 PHE H 1 93 THR MG 4.500 . 6.000 3.439 2.813 3.867 . 0 0 "[ . 1 . ]" 1
180 1 21 TYR HA 1 21 TYR HB2 3.000 . 3.300 2.471 2.454 2.483 . 0 0 "[ . 1 . ]" 1
181 1 21 TYR H 1 21 TYR HA 3.000 . 3.300 2.799 2.754 2.813 . 0 0 "[ . 1 . ]" 1
182 1 21 TYR H 1 21 TYR HB2 3.000 . 3.300 2.494 2.457 2.539 . 0 0 "[ . 1 . ]" 1
183 1 21 TYR H 1 21 TYR HB3 3.000 . 3.300 2.575 2.546 2.631 . 0 0 "[ . 1 . ]" 1
184 1 21 TYR HB3 1 22 GLY H 4.000 . 5.500 2.555 2.316 2.613 . 0 0 "[ . 1 . ]" 1
185 1 21 TYR HB2 1 22 GLY H 4.000 . 5.500 3.854 3.720 3.906 . 0 0 "[ . 1 . ]" 1
186 1 21 TYR QD 1 22 GLY H 4.500 . 6.000 3.399 3.056 3.481 . 0 0 "[ . 1 . ]" 1
187 1 21 TYR H 1 22 GLY H 4.000 . 5.500 2.759 2.715 2.956 . 0 0 "[ . 1 . ]" 1
188 1 21 TYR HA 1 24 VAL MG1 5.500 . 7.000 4.004 3.701 4.236 . 0 0 "[ . 1 . ]" 1
189 1 21 TYR HA 1 24 VAL MG2 4.500 . 6.000 2.764 2.468 3.149 . 0 0 "[ . 1 . ]" 1
190 1 21 TYR QE 1 25 LEU MD2 5.000 . 6.500 3.250 2.337 4.511 . 0 0 "[ . 1 . ]" 1
191 1 21 TYR QE 1 39 MET ME 6.500 . 8.000 4.851 3.182 5.938 . 0 0 "[ . 1 . ]" 1
192 1 21 TYR QE 1 42 GLN HB3 5.500 . 7.000 3.153 2.637 4.023 . 0 0 "[ . 1 . ]" 1
193 1 21 TYR HB2 1 43 LYS HA 4.000 . 5.500 4.754 4.224 5.452 . 0 0 "[ . 1 . ]" 1
194 1 21 TYR HA 1 46 GLN HE21 4.000 . 5.500 4.911 3.679 5.523 0.023 13 0 "[ . 1 . ]" 1
195 1 21 TYR HA 1 46 GLN HG3 4.000 . 5.500 4.224 3.532 4.843 . 0 0 "[ . 1 . ]" 1
196 1 21 TYR HA 1 46 GLN HG2 4.000 . 5.500 3.418 2.510 3.972 . 0 0 "[ . 1 . ]" 1
197 1 21 TYR HB2 1 46 GLN HB3 4.000 . 5.500 4.524 3.611 5.490 . 0 0 "[ . 1 . ]" 1
198 1 21 TYR HB2 1 46 GLN HB2 4.000 . 5.500 4.544 3.785 5.223 . 0 0 "[ . 1 . ]" 1
199 1 21 TYR QD 1 46 GLN HE21 5.500 . 7.000 3.358 2.300 4.260 . 0 0 "[ . 1 . ]" 1
200 1 22 GLY H 1 22 GLY HA3 2.500 . 2.700 2.303 2.301 2.305 . 0 0 "[ . 1 . ]" 1
201 1 22 GLY H 1 22 GLY HA2 3.000 . 3.300 2.796 2.777 2.807 . 0 0 "[ . 1 . ]" 1
202 1 23 LYS H 1 23 LYS HA 3.000 . 3.300 2.829 2.814 2.893 . 0 0 "[ . 1 . ]" 1
203 1 23 LYS H 1 23 LYS QB 3.500 . 3.800 2.308 2.233 2.424 . 0 0 "[ . 1 . ]" 1
204 1 23 LYS HA 1 24 VAL H 4.000 . 5.500 3.536 3.520 3.551 . 0 0 "[ . 1 . ]" 1
205 1 23 LYS H 1 25 LEU H 4.000 . 5.500 4.172 3.834 4.315 . 0 0 "[ . 1 . ]" 1
206 1 23 LYS HA 1 26 ALA H 4.000 . 5.500 3.457 3.270 3.582 . 0 0 "[ . 1 . ]" 1
207 1 23 LYS HA 1 27 ASP H 4.000 . 5.500 4.750 4.418 4.928 . 0 0 "[ . 1 . ]" 1
208 1 24 VAL H 1 24 VAL HB 2.500 . 2.700 2.426 2.405 2.501 . 0 0 "[ . 1 . ]" 1
209 1 24 VAL H 1 24 VAL MG2 3.500 . 3.800 2.262 2.024 2.383 . 0 0 "[ . 1 . ]" 1
210 1 24 VAL HA 1 25 LEU H 4.000 . 5.500 3.539 3.473 3.567 . 0 0 "[ . 1 . ]" 1
211 1 24 VAL HB 1 25 LEU H 3.000 . 3.300 2.625 2.498 2.959 . 0 0 "[ . 1 . ]" 1
212 1 24 VAL MG1 1 25 LEU H 4.500 . 6.000 3.350 3.120 3.696 . 0 0 "[ . 1 . ]" 1
213 1 24 VAL MG2 1 25 LEU H 4.500 . 6.000 3.912 3.875 3.951 . 0 0 "[ . 1 . ]" 1
214 1 24 VAL H 1 25 LEU H 2.800 . 3.000 2.671 2.612 2.794 . 0 0 "[ . 1 . ]" 1
215 1 24 VAL H 1 26 ALA H 4.000 . 5.500 4.089 3.751 4.392 . 0 0 "[ . 1 . ]" 1
216 1 24 VAL HA 1 27 ASP H 4.000 . 5.500 3.496 3.384 4.001 . 0 0 "[ . 1 . ]" 1
217 1 24 VAL MG1 1 31 ASN HA 4.500 . 6.000 4.414 3.742 4.973 . 0 0 "[ . 1 . ]" 1
218 1 24 VAL MG1 1 34 PHE QD 5.000 . 6.500 4.178 3.765 4.574 . 0 0 "[ . 1 . ]" 1
219 1 24 VAL MG1 1 34 PHE QE 6.000 . 7.500 3.743 3.410 4.005 . 0 0 "[ . 1 . ]" 1
220 1 24 VAL HB 1 46 GLN HE21 4.000 . 5.500 5.005 2.766 5.534 0.034 12 0 "[ . 1 . ]" 1
221 1 24 VAL MG1 1 46 GLN HE22 4.500 . 6.000 4.276 2.621 4.804 . 0 0 "[ . 1 . ]" 1
222 1 24 VAL MG1 1 46 GLN HE21 4.500 . 6.000 3.774 1.808 4.812 . 0 0 "[ . 1 . ]" 1
223 1 24 VAL MG2 1 46 GLN HG3 4.500 . 6.000 3.017 2.468 3.822 . 0 0 "[ . 1 . ]" 1
224 1 24 VAL MG2 1 46 GLN HG2 4.500 . 6.000 3.342 2.643 4.346 . 0 0 "[ . 1 . ]" 1
225 1 24 VAL MG1 1 86 ILE MD 5.000 . 6.500 3.649 3.063 4.107 . 0 0 "[ . 1 . ]" 1
226 1 24 VAL MG2 1 86 ILE MD 5.000 . 6.500 3.288 2.964 3.770 . 0 0 "[ . 1 . ]" 1
227 1 24 VAL MG2 1 86 ILE HA 5.500 . 7.000 4.727 4.427 5.157 . 0 0 "[ . 1 . ]" 1
228 1 24 VAL MG2 1 86 ILE HG12 5.500 . 7.000 4.285 3.602 4.753 . 0 0 "[ . 1 . ]" 1
229 1 24 VAL HA 1 89 ASN HD22 4.000 . 5.500 4.231 3.470 5.034 . 0 0 "[ . 1 . ]" 1
230 1 24 VAL MG2 1 89 ASN HD21 5.500 . 7.000 3.436 3.058 4.017 . 0 0 "[ . 1 . ]" 1
231 1 24 VAL MG2 1 89 ASN HD22 5.500 . 7.000 4.613 4.249 5.260 . 0 0 "[ . 1 . ]" 1
232 1 24 VAL MG2 1 89 ASN HB3 4.500 . 6.000 3.947 3.154 4.551 . 0 0 "[ . 1 . ]" 1
233 1 24 VAL MG2 1 89 ASN HB2 4.500 . 6.000 4.226 3.560 4.642 . 0 0 "[ . 1 . ]" 1
234 1 25 LEU H 1 25 LEU HA 3.000 . 3.300 2.819 2.799 2.886 . 0 0 "[ . 1 . ]" 1
235 1 25 LEU H 1 26 ALA H 3.000 . 3.300 2.648 2.431 2.720 . 0 0 "[ . 1 . ]" 1
236 1 26 ALA H 1 26 ALA HA 3.000 . 3.300 2.816 2.791 2.833 . 0 0 "[ . 1 . ]" 1
237 1 26 ALA HA 1 27 ASP H 4.000 . 5.500 3.538 3.528 3.550 . 0 0 "[ . 1 . ]" 1
238 1 26 ALA MB 1 27 ASP H 4.500 . 6.000 2.630 2.513 2.724 . 0 0 "[ . 1 . ]" 1
239 1 27 ASP H 1 27 ASP HA 3.000 . 3.300 2.911 2.885 2.927 . 0 0 "[ . 1 . ]" 1
240 1 27 ASP H 1 27 ASP HB2 3.000 . 3.300 2.675 2.507 2.731 . 0 0 "[ . 1 . ]" 1
241 1 27 ASP H 1 27 ASP HB3 3.000 . 3.300 2.525 2.500 2.621 . 0 0 "[ . 1 . ]" 1
242 1 27 ASP HA 1 28 GLU H 2.500 . 2.700 2.181 2.149 2.280 . 0 0 "[ . 1 . ]" 1
243 1 27 ASP HA 1 29 ARG H 4.000 . 5.500 3.431 3.080 3.521 . 0 0 "[ . 1 . ]" 1
244 1 27 ASP HB3 1 30 VAL MG2 3.500 . 3.800 2.264 2.166 2.602 . 0 0 "[ . 1 . ]" 1
245 1 27 ASP HB2 1 30 VAL MG2 4.500 . 6.000 3.700 3.550 4.125 . 0 0 "[ . 1 . ]" 1
246 1 27 ASP HB3 1 89 ASN HD22 4.000 . 5.500 3.734 2.682 4.383 . 0 0 "[ . 1 . ]" 1
247 1 27 ASP HB2 1 89 ASN HD22 4.000 . 5.500 3.433 2.511 4.306 . 0 0 "[ . 1 . ]" 1
248 1 28 GLU H 1 28 GLU HA 3.000 . 3.300 2.865 2.847 2.875 . 0 0 "[ . 1 . ]" 1
249 1 28 GLU H 1 29 ARG H 3.000 . 3.300 2.501 2.451 2.628 . 0 0 "[ . 1 . ]" 1
250 1 28 GLU HA 1 31 ASN HD22 3.000 . 3.300 2.890 2.820 2.946 . 0 0 "[ . 1 . ]" 1
251 1 28 GLU HA 1 31 ASN HD21 4.000 . 5.500 2.090 1.987 2.507 . 0 0 "[ . 1 . ]" 1
252 1 28 GLU HA 1 31 ASN HB2 4.000 . 5.500 2.378 2.277 2.469 . 0 0 "[ . 1 . ]" 1
253 1 29 ARG HB3 1 29 ARG HE 4.000 . 5.500 3.130 2.896 3.390 . 0 0 "[ . 1 . ]" 1
254 1 29 ARG H 1 29 ARG HB3 4.000 . 5.500 3.588 3.584 3.591 . 0 0 "[ . 1 . ]" 1
255 1 29 ARG HB2 1 29 ARG HE 3.000 . 3.300 2.305 1.872 2.747 . 0 0 "[ . 1 . ]" 1
256 1 29 ARG H 1 29 ARG HB2 3.000 . 3.300 2.505 2.416 2.541 . 0 0 "[ . 1 . ]" 1
257 1 29 ARG H 1 29 ARG HE 4.000 . 5.500 4.038 3.503 4.763 . 0 0 "[ . 1 . ]" 1
258 1 29 ARG HA 1 30 VAL H 4.000 . 5.500 3.561 3.543 3.572 . 0 0 "[ . 1 . ]" 1
259 1 29 ARG HB3 1 30 VAL H 4.000 . 5.500 3.611 3.332 3.666 . 0 0 "[ . 1 . ]" 1
260 1 29 ARG HB2 1 30 VAL H 4.000 . 5.500 2.605 2.322 2.643 . 0 0 "[ . 1 . ]" 1
261 1 29 ARG H 1 30 VAL H 4.000 . 5.500 2.834 2.658 2.874 . 0 0 "[ . 1 . ]" 1
262 1 29 ARG HA 1 82 HIS HD2 5.000 . 6.500 5.779 4.898 6.368 . 0 0 "[ . 1 . ]" 1
263 1 29 ARG HB3 1 82 HIS HD2 4.000 . 5.500 4.002 3.168 4.605 . 0 0 "[ . 1 . ]" 1
264 1 29 ARG HB2 1 82 HIS HD2 4.000 . 5.500 5.012 3.953 5.528 0.028 9 0 "[ . 1 . ]" 1
265 1 29 ARG HE 1 85 ALA MB 4.500 . 6.000 3.866 2.640 4.835 . 0 0 "[ . 1 . ]" 1
266 1 30 VAL H 1 30 VAL HB 4.000 . 5.500 3.618 3.593 3.633 . 0 0 "[ . 1 . ]" 1
267 1 30 VAL HA 1 30 VAL MG1 3.500 . 3.800 2.374 2.263 2.443 . 0 0 "[ . 1 . ]" 1
268 1 30 VAL H 1 30 VAL HA 3.000 . 3.300 2.889 2.865 2.902 . 0 0 "[ . 1 . ]" 1
269 1 30 VAL H 1 30 VAL MG2 3.500 . 3.800 1.933 1.801 2.125 . 0 0 "[ . 1 . ]" 1
270 1 30 VAL H 1 30 VAL MG1 4.500 . 6.000 2.262 2.072 2.430 . 0 0 "[ . 1 . ]" 1
271 1 30 VAL HA 1 31 ASN H 4.000 . 5.500 3.489 3.457 3.500 . 0 0 "[ . 1 . ]" 1
272 1 30 VAL MG2 1 31 ASN H 4.500 . 6.000 2.074 1.843 2.359 . 0 0 "[ . 1 . ]" 1
273 1 30 VAL H 1 31 ASN H 2.800 . 3.000 2.401 2.351 2.481 . 0 0 "[ . 1 . ]" 1
274 1 30 VAL HA 1 33 PHE QD 4.500 . 6.000 2.301 2.273 2.461 . 0 0 "[ . 1 . ]" 1
275 1 30 VAL HA 1 33 PHE QE 5.500 . 7.000 3.502 3.150 3.695 . 0 0 "[ . 1 . ]" 1
276 1 30 VAL HB 1 33 PHE QD 4.500 . 6.000 4.103 3.876 4.297 . 0 0 "[ . 1 . ]" 1
277 1 30 VAL MG1 1 33 PHE QD 6.000 . 7.500 4.069 3.882 4.183 . 0 0 "[ . 1 . ]" 1
278 1 30 VAL MG1 1 33 PHE QE 6.000 . 7.500 4.460 4.278 4.691 . 0 0 "[ . 1 . ]" 1
279 1 30 VAL HA 1 82 HIS HD2 4.000 . 5.500 4.191 3.096 5.047 . 0 0 "[ . 1 . ]" 1
280 1 30 VAL MG1 1 82 HIS HA 4.500 . 6.000 4.256 3.527 4.757 . 0 0 "[ . 1 . ]" 1
281 1 30 VAL MG1 1 82 HIS HB3 4.500 . 6.000 4.000 3.315 4.679 . 0 0 "[ . 1 . ]" 1
282 1 30 VAL MG1 1 82 HIS HD2 4.500 . 6.000 3.786 2.851 4.439 . 0 0 "[ . 1 . ]" 1
283 1 30 VAL HB 1 85 ALA MB 5.500 . 7.000 5.588 4.834 5.723 . 0 0 "[ . 1 . ]" 1
284 1 30 VAL MG1 1 85 ALA MB 4.000 . 5.500 3.087 2.497 3.322 . 0 0 "[ . 1 . ]" 1
285 1 30 VAL HB 1 86 ILE MD 4.500 . 6.000 3.581 3.264 3.932 . 0 0 "[ . 1 . ]" 1
286 1 30 VAL MG1 1 86 ILE MD 5.000 . 6.500 3.293 2.767 3.608 . 0 0 "[ . 1 . ]" 1
287 1 30 VAL MG1 1 86 ILE MG 5.000 . 6.500 4.093 3.734 4.389 . 0 0 "[ . 1 . ]" 1
288 1 30 VAL MG1 1 86 ILE H 4.500 . 6.000 3.745 3.272 4.096 . 0 0 "[ . 1 . ]" 1
289 1 30 VAL MG2 1 89 ASN HD22 4.500 . 6.000 4.252 3.285 4.765 . 0 0 "[ . 1 . ]" 1
290 1 31 ASN H 1 31 ASN HA 3.000 . 3.300 2.796 2.789 2.813 . 0 0 "[ . 1 . ]" 1
291 1 31 ASN H 1 31 ASN HB3 4.000 . 5.500 3.586 3.583 3.591 . 0 0 "[ . 1 . ]" 1
292 1 31 ASN H 1 31 ASN HB2 3.000 . 3.300 2.483 2.467 2.539 . 0 0 "[ . 1 . ]" 1
293 1 31 ASN HA 1 31 ASN HB3 3.000 . 3.300 2.492 2.457 2.502 . 0 0 "[ . 1 . ]" 1
294 1 31 ASN HA 1 31 ASN HB2 3.000 . 3.300 3.025 3.022 3.028 . 0 0 "[ . 1 . ]" 1
295 1 31 ASN HB3 1 31 ASN HD21 3.000 . 3.300 2.827 2.571 2.872 . 0 0 "[ . 1 . ]" 1
296 1 31 ASN HB2 1 31 ASN HD21 3.000 . 3.300 2.501 2.460 2.742 . 0 0 "[ . 1 . ]" 1
297 1 31 ASN H 1 32 ARG H 3.000 . 3.300 2.712 2.645 2.746 . 0 0 "[ . 1 . ]" 1
298 1 31 ASN HA 1 34 PHE QD 4.500 . 6.000 2.316 2.282 2.580 . 0 0 "[ . 1 . ]" 1
299 1 32 ARG H 1 32 ARG HG2 4.000 . 5.500 3.250 3.213 3.280 . 0 0 "[ . 1 . ]" 1
300 1 32 ARG H 1 32 ARG HG3 3.000 . 3.300 2.081 2.052 2.135 . 0 0 "[ . 1 . ]" 1
301 1 32 ARG H 1 33 PHE H 4.000 . 5.500 2.792 2.753 2.830 . 0 0 "[ . 1 . ]" 1
302 1 32 ARG QB 1 33 PHE H 5.500 . 7.000 2.602 2.562 2.805 . 0 0 "[ . 1 . ]" 1
303 1 32 ARG HG3 1 33 PHE H 4.000 . 5.500 4.299 4.274 4.367 . 0 0 "[ . 1 . ]" 1
304 1 32 ARG HG2 1 33 PHE H 4.000 . 5.500 4.960 4.944 5.018 . 0 0 "[ . 1 . ]" 1
305 1 33 PHE H 1 33 PHE HB2 3.000 . 3.300 2.389 2.371 2.422 . 0 0 "[ . 1 . ]" 1
306 1 33 PHE H 1 33 PHE HA 3.000 . 3.300 2.857 2.843 2.901 . 0 0 "[ . 1 . ]" 1
307 1 33 PHE HA 1 34 PHE H 4.000 . 5.500 3.501 3.429 3.523 . 0 0 "[ . 1 . ]" 1
308 1 33 PHE QD 1 34 PHE QD 6.000 . 7.500 4.643 4.390 4.883 . 0 0 "[ . 1 . ]" 1
309 1 33 PHE HB2 1 34 PHE H 3.000 . 3.300 2.901 2.744 3.163 . 0 0 "[ . 1 . ]" 1
310 1 33 PHE H 1 34 PHE H 4.000 . 5.500 2.539 2.376 2.591 . 0 0 "[ . 1 . ]" 1
311 1 33 PHE HA 1 72 LEU MD2 5.500 . 7.000 4.030 3.279 4.758 . 0 0 "[ . 1 . ]" 1
312 1 33 PHE HB3 1 72 LEU MD2 4.500 . 6.000 3.530 2.977 3.963 . 0 0 "[ . 1 . ]" 1
313 1 33 PHE QD 1 72 LEU MD2 5.000 . 6.500 3.249 2.465 3.961 . 0 0 "[ . 1 . ]" 1
314 1 33 PHE QE 1 76 ALA MB 5.000 . 6.500 2.387 2.124 2.723 . 0 0 "[ . 1 . ]" 1
315 1 33 PHE HZ 1 76 ALA MB 5.500 . 7.000 3.878 3.461 4.593 . 0 0 "[ . 1 . ]" 1
316 1 33 PHE QD 1 78 LEU MD1 5.000 . 6.500 3.391 2.680 3.810 . 0 0 "[ . 1 . ]" 1
317 1 33 PHE QE 1 78 LEU H 4.500 . 6.000 4.045 3.038 4.729 . 0 0 "[ . 1 . ]" 1
318 1 33 PHE QE 1 78 LEU MD1 5.000 . 6.500 2.602 2.345 2.878 . 0 0 "[ . 1 . ]" 1
319 1 33 PHE HZ 1 78 LEU MD1 4.500 . 6.000 2.727 2.333 3.132 . 0 0 "[ . 1 . ]" 1
320 1 33 PHE HZ 1 78 LEU HA 3.000 . 3.300 2.887 2.450 3.186 . 0 0 "[ . 1 . ]" 1
321 1 33 PHE QE 1 78 LEU HB2 5.500 . 7.000 2.834 2.295 3.136 . 0 0 "[ . 1 . ]" 1
322 1 33 PHE HZ 1 78 LEU HB2 5.000 . 6.500 4.192 3.721 4.716 . 0 0 "[ . 1 . ]" 1
323 1 33 PHE QE 1 78 LEU HA 5.500 . 7.000 3.124 2.489 3.696 . 0 0 "[ . 1 . ]" 1
324 1 33 PHE HZ 1 79 THR H 5.000 . 6.500 4.163 3.665 4.584 . 0 0 "[ . 1 . ]" 1
325 1 33 PHE QE 1 82 HIS HB3 5.500 . 7.000 4.264 3.331 4.830 . 0 0 "[ . 1 . ]" 1
326 1 33 PHE QE 1 82 HIS HE1 5.500 . 7.000 4.476 3.995 4.930 . 0 0 "[ . 1 . ]" 1
327 1 33 PHE QE 1 82 HIS HD2 4.500 . 6.000 2.761 2.293 4.101 . 0 0 "[ . 1 . ]" 1
328 1 33 PHE HZ 1 82 HIS HE1 4.000 . 5.500 3.595 3.080 4.311 . 0 0 "[ . 1 . ]" 1
329 1 33 PHE HZ 1 82 HIS HD2 5.000 . 6.500 4.120 3.542 4.844 . 0 0 "[ . 1 . ]" 1
330 1 34 PHE H 1 34 PHE HA 3.000 . 3.300 2.909 2.889 2.937 . 0 0 "[ . 1 . ]" 1
331 1 34 PHE H 1 34 PHE HB2 3.000 . 3.300 2.404 2.350 2.443 . 0 0 "[ . 1 . ]" 1
332 1 34 PHE H 1 34 PHE HB3 4.000 . 5.500 3.617 3.585 3.644 . 0 0 "[ . 1 . ]" 1
333 1 34 PHE HA 1 35 VAL H 4.000 . 5.500 3.199 3.002 3.323 . 0 0 "[ . 1 . ]" 1
334 1 34 PHE HB2 1 35 VAL H 4.000 . 5.500 3.749 3.534 4.040 . 0 0 "[ . 1 . ]" 1
335 1 34 PHE H 1 35 VAL MG2 4.500 . 6.000 3.777 3.536 4.166 . 0 0 "[ . 1 . ]" 1
336 1 34 PHE QD 1 37 THR HB 5.500 . 7.000 2.677 2.331 2.999 . 0 0 "[ . 1 . ]" 1
337 1 34 PHE QD 1 37 THR MG 5.000 . 6.500 3.144 2.549 3.794 . 0 0 "[ . 1 . ]" 1
338 1 34 PHE HB2 1 42 GLN HE21 5.000 . 6.500 4.679 4.345 4.958 . 0 0 "[ . 1 . ]" 1
339 1 34 PHE HB3 1 42 GLN HE21 5.000 . 6.500 3.740 3.178 4.026 . 0 0 "[ . 1 . ]" 1
340 1 34 PHE HB3 1 42 GLN HG3 4.000 . 5.500 3.386 2.939 3.778 . 0 0 "[ . 1 . ]" 1
341 1 34 PHE QD 1 42 GLN HG2 5.500 . 7.000 4.370 4.118 4.749 . 0 0 "[ . 1 . ]" 1
342 1 34 PHE QD 1 42 GLN HG3 4.500 . 6.000 2.774 2.477 3.200 . 0 0 "[ . 1 . ]" 1
343 1 34 PHE QD 1 42 GLN HA 4.500 . 6.000 3.504 3.153 4.118 . 0 0 "[ . 1 . ]" 1
344 1 34 PHE QE 1 86 ILE MD 4.000 . 5.500 3.504 3.120 3.781 . 0 0 "[ . 1 . ]" 1
345 1 34 PHE HZ 1 86 ILE MD 5.500 . 7.000 3.672 3.147 3.889 . 0 0 "[ . 1 . ]" 1
346 1 35 VAL HA 1 35 VAL MG2 3.500 . 3.800 2.473 2.237 3.195 . 0 0 "[ . 1 . ]" 1
347 1 35 VAL HA 1 35 VAL MG1 3.500 . 3.800 2.402 2.357 2.519 . 0 0 "[ . 1 . ]" 1
348 1 35 VAL H 1 35 VAL HB 4.000 . 5.500 2.631 2.287 3.599 . 0 0 "[ . 1 . ]" 1
349 1 35 VAL H 1 35 VAL MG2 3.500 . 3.800 2.234 1.931 2.564 . 0 0 "[ . 1 . ]" 1
350 1 35 VAL HA 1 36 ASN H 4.000 . 5.500 3.540 3.509 3.560 . 0 0 "[ . 1 . ]" 1
351 1 35 VAL HB 1 36 ASN H 5.000 . 6.500 2.848 2.544 3.834 . 0 0 "[ . 1 . ]" 1
352 1 35 VAL MG1 1 36 ASN HA 5.500 . 7.000 3.717 3.045 5.446 . 0 0 "[ . 1 . ]" 1
353 1 35 VAL MG1 1 36 ASN HD22 5.500 . 7.000 4.976 4.242 5.811 . 0 0 "[ . 1 . ]" 1
354 1 35 VAL MG1 1 36 ASN H 5.500 . 7.000 3.357 2.875 3.891 . 0 0 "[ . 1 . ]" 1
355 1 35 VAL MG2 1 36 ASN H 5.500 . 7.000 3.579 1.903 4.016 . 0 0 "[ . 1 . ]" 1
356 1 35 VAL H 1 36 ASN H 4.000 . 5.500 2.699 2.445 2.781 . 0 0 "[ . 1 . ]" 1
357 1 36 ASN H 1 36 ASN HA 3.000 . 3.300 2.873 2.810 2.919 . 0 0 "[ . 1 . ]" 1
358 1 36 ASN HB2 1 36 ASN HD21 3.000 . 3.300 2.450 2.320 2.482 . 0 0 "[ . 1 . ]" 1
359 1 36 ASN HB2 1 36 ASN HD22 4.000 . 5.500 3.587 3.537 3.600 . 0 0 "[ . 1 . ]" 1
360 1 36 ASN H 1 36 ASN HB2 3.000 . 3.300 2.457 2.441 2.481 . 0 0 "[ . 1 . ]" 1
361 1 36 ASN H 1 36 ASN HB3 4.000 . 5.500 3.607 3.586 3.628 . 0 0 "[ . 1 . ]" 1
362 1 36 ASN HA 1 36 ASN HB3 3.000 . 3.300 2.481 2.463 2.499 . 0 0 "[ . 1 . ]" 1
363 1 36 ASN HA 1 37 THR H 4.000 . 5.500 3.353 3.211 3.539 . 0 0 "[ . 1 . ]" 1
364 1 36 ASN H 1 37 THR H 3.000 . 3.300 2.559 2.474 2.662 . 0 0 "[ . 1 . ]" 1
365 1 36 ASN HB2 1 37 THR H 4.000 . 5.500 3.249 2.629 3.676 . 0 0 "[ . 1 . ]" 1
366 1 36 ASN HB3 1 37 THR H 4.000 . 5.500 4.073 3.663 4.358 . 0 0 "[ . 1 . ]" 1
367 1 37 THR H 1 37 THR HB 4.000 . 5.500 2.614 2.505 2.706 . 0 0 "[ . 1 . ]" 1
368 1 37 THR H 1 37 THR MG 4.500 . 6.000 3.831 3.766 3.879 . 0 0 "[ . 1 . ]" 1
369 1 37 THR MG 1 38 ASP H 3.500 . 3.800 2.297 2.068 2.403 . 0 0 "[ . 1 . ]" 1
370 1 37 THR HA 1 38 ASP H 4.000 . 5.500 2.219 2.202 2.238 . 0 0 "[ . 1 . ]" 1
371 1 37 THR HB 1 38 ASP H 4.000 . 5.500 3.974 3.891 4.021 . 0 0 "[ . 1 . ]" 1
372 1 37 THR MG 1 41 LYS HB3 4.500 . 6.000 2.639 2.099 3.320 . 0 0 "[ . 1 . ]" 1
373 1 37 THR MG 1 41 LYS HB2 4.500 . 6.000 2.434 1.985 3.564 . 0 0 "[ . 1 . ]" 1
374 1 37 THR MG 1 42 GLN HA 4.500 . 6.000 3.062 2.806 3.576 . 0 0 "[ . 1 . ]" 1
375 1 37 THR MG 1 42 GLN QB 5.000 . 6.500 2.947 2.677 3.125 . 0 0 "[ . 1 . ]" 1
376 1 37 THR MG 1 42 GLN HG2 5.500 . 7.000 5.132 4.884 5.489 . 0 0 "[ . 1 . ]" 1
377 1 37 THR MG 1 42 GLN HG3 4.500 . 6.000 4.140 3.838 4.477 . 0 0 "[ . 1 . ]" 1
378 1 37 THR MG 1 42 GLN H 4.500 . 6.000 2.843 2.697 3.156 . 0 0 "[ . 1 . ]" 1
379 1 37 THR MG 1 42 GLN HE21 4.500 . 6.000 4.529 4.280 4.735 . 0 0 "[ . 1 . ]" 1
380 1 37 THR HB 1 42 GLN HE21 4.000 . 5.500 5.216 5.017 5.494 . 0 0 "[ . 1 . ]" 1
381 1 38 ASP H 1 38 ASP HB3 3.000 . 3.300 2.615 2.549 2.697 . 0 0 "[ . 1 . ]" 1
382 1 38 ASP H 1 38 ASP HB2 4.000 . 5.500 3.612 3.599 3.625 . 0 0 "[ . 1 . ]" 1
383 1 38 ASP HA 1 39 MET H 3.000 . 3.300 2.384 2.278 2.450 . 0 0 "[ . 1 . ]" 1
384 1 38 ASP HB2 1 39 MET H 4.000 . 5.500 2.489 2.341 2.745 . 0 0 "[ . 1 . ]" 1
385 1 39 MET HA 1 39 MET HG3 4.000 . 5.500 2.972 2.257 3.698 . 0 0 "[ . 1 . ]" 1
386 1 39 MET HA 1 39 MET HG2 4.000 . 5.500 2.547 2.348 3.498 . 0 0 "[ . 1 . ]" 1
387 1 39 MET H 1 39 MET HA 3.000 . 3.300 2.815 2.807 2.852 . 0 0 "[ . 1 . ]" 1
388 1 39 MET H 1 40 ALA H 3.000 . 3.300 2.682 2.524 2.713 . 0 0 "[ . 1 . ]" 1
389 1 39 MET HA 1 42 GLN HB3 4.000 . 5.500 2.500 2.364 2.749 . 0 0 "[ . 1 . ]" 1
390 1 39 MET HA 1 42 GLN H 4.000 . 5.500 3.490 3.383 3.616 . 0 0 "[ . 1 . ]" 1
391 1 39 MET HA 1 42 GLN HE21 4.000 . 5.500 1.899 1.808 2.140 . 0 0 "[ . 1 . ]" 1
392 1 39 MET HA 1 42 GLN HE22 5.000 . 6.500 3.160 3.042 3.340 . 0 0 "[ . 1 . ]" 1
393 1 40 ALA H 1 40 ALA HA 3.000 . 3.300 2.810 2.777 2.842 . 0 0 "[ . 1 . ]" 1
394 1 40 ALA MB 1 41 LYS H 3.500 . 3.800 2.247 2.117 2.365 . 0 0 "[ . 1 . ]" 1
395 1 40 ALA H 1 41 LYS H 2.800 . 3.000 2.893 2.797 2.998 . 0 0 "[ . 1 . ]" 1
396 1 40 ALA HA 1 43 LYS H 4.000 . 5.500 3.814 3.729 4.118 . 0 0 "[ . 1 . ]" 1
397 1 41 LYS H 1 41 LYS HA 3.000 . 3.300 2.821 2.812 2.843 . 0 0 "[ . 1 . ]" 1
398 1 41 LYS HA 1 42 GLN H 4.000 . 5.500 3.509 3.459 3.524 . 0 0 "[ . 1 . ]" 1
399 1 41 LYS H 1 42 GLN H 2.800 . 3.000 2.634 2.550 2.675 . 0 0 "[ . 1 . ]" 1
400 1 42 GLN HA 1 42 GLN HG3 3.000 . 3.300 2.466 2.398 2.484 . 0 0 "[ . 1 . ]" 1
401 1 42 GLN HA 1 42 GLN HG2 4.000 . 5.500 2.937 2.903 3.228 . 0 0 "[ . 1 . ]" 1
402 1 42 GLN H 1 42 GLN HG3 4.000 . 5.500 4.364 4.337 4.408 . 0 0 "[ . 1 . ]" 1
403 1 42 GLN H 1 42 GLN HG2 4.000 . 5.500 4.476 4.464 4.490 . 0 0 "[ . 1 . ]" 1
404 1 42 GLN HE22 1 42 GLN HG3 4.000 . 5.500 3.950 3.938 3.977 . 0 0 "[ . 1 . ]" 1
405 1 42 GLN HE22 1 42 GLN HG2 4.000 . 5.500 4.000 3.975 4.010 . 0 0 "[ . 1 . ]" 1
406 1 42 GLN H 1 42 GLN HA 3.000 . 3.300 2.784 2.774 2.795 . 0 0 "[ . 1 . ]" 1
407 1 42 GLN HA 1 43 LYS H 4.000 . 5.500 3.554 3.543 3.575 . 0 0 "[ . 1 . ]" 1
408 1 42 GLN QB 1 43 LYS H 3.500 . 3.800 2.508 2.195 2.595 . 0 0 "[ . 1 . ]" 1
409 1 42 GLN HA 1 45 HIS H 4.000 . 5.500 3.470 3.338 3.559 . 0 0 "[ . 1 . ]" 1
410 1 43 LYS H 1 43 LYS HA 3.000 . 3.300 2.808 2.742 2.826 . 0 0 "[ . 1 . ]" 1
411 1 43 LYS HA 1 46 GLN HB2 3.500 . 3.800 2.931 2.561 3.180 . 0 0 "[ . 1 . ]" 1
412 1 43 LYS HA 1 46 GLN H 4.000 . 5.500 3.473 3.327 3.547 . 0 0 "[ . 1 . ]" 1
413 1 44 GLN H 1 44 GLN HB3 4.000 . 5.500 2.637 2.613 2.762 . 0 0 "[ . 1 . ]" 1
414 1 44 GLN H 1 44 GLN HB2 3.000 . 3.300 2.433 2.336 2.454 . 0 0 "[ . 1 . ]" 1
415 1 44 GLN H 1 44 GLN HG3 4.000 . 5.500 4.382 4.276 4.453 . 0 0 "[ . 1 . ]" 1
416 1 44 GLN H 1 44 GLN HG2 4.000 . 5.500 4.495 4.460 4.642 . 0 0 "[ . 1 . ]" 1
417 1 44 GLN HA 1 45 HIS H 4.000 . 5.500 3.543 3.511 3.556 . 0 0 "[ . 1 . ]" 1
418 1 44 GLN HG3 1 45 HIS H 4.000 . 5.500 4.725 3.889 4.964 . 0 0 "[ . 1 . ]" 1
419 1 44 GLN HG2 1 45 HIS H 4.000 . 5.500 4.011 3.845 4.668 . 0 0 "[ . 1 . ]" 1
420 1 44 GLN HA 1 47 LYS HB3 3.000 . 3.300 2.982 2.830 3.246 . 0 0 "[ . 1 . ]" 1
421 1 44 GLN HA 1 47 LYS HB2 4.000 . 5.500 3.278 3.014 3.505 . 0 0 "[ . 1 . ]" 1
422 1 45 HIS H 1 45 HIS HB3 3.000 . 3.300 2.599 2.550 2.639 . 0 0 "[ . 1 . ]" 1
423 1 45 HIS H 1 46 GLN H 2.800 . 3.000 2.744 2.674 2.784 . 0 0 "[ . 1 . ]" 1
424 1 45 HIS HB3 1 46 GLN H 3.000 . 3.300 2.482 2.317 2.580 . 0 0 "[ . 1 . ]" 1
425 1 45 HIS H 1 47 LYS H 4.000 . 5.500 4.098 3.786 4.201 . 0 0 "[ . 1 . ]" 1
426 1 45 HIS HA 1 48 ASP H 4.000 . 5.500 3.566 3.468 3.677 . 0 0 "[ . 1 . ]" 1
427 1 45 HIS HA 1 48 ASP HB3 4.000 . 5.500 4.700 4.530 4.937 . 0 0 "[ . 1 . ]" 1
428 1 45 HIS HA 1 48 ASP HB2 4.000 . 5.500 3.019 2.858 3.210 . 0 0 "[ . 1 . ]" 1
429 1 46 GLN HE21 1 46 GLN HG2 3.000 . 3.300 2.286 2.235 2.556 . 0 0 "[ . 1 . ]" 1
430 1 46 GLN HA 1 46 GLN HG3 3.000 . 3.300 2.598 2.244 2.770 . 0 0 "[ . 1 . ]" 1
431 1 46 GLN HA 1 46 GLN HG2 4.000 . 5.500 3.640 3.536 3.682 . 0 0 "[ . 1 . ]" 1
432 1 46 GLN HE22 1 46 GLN HG2 4.000 . 5.500 3.522 3.502 3.629 . 0 0 "[ . 1 . ]" 1
433 1 46 GLN H 1 46 GLN HG2 4.000 . 5.500 3.571 3.373 4.052 . 0 0 "[ . 1 . ]" 1
434 1 46 GLN H 1 46 GLN HA 3.000 . 3.300 2.814 2.805 2.818 . 0 0 "[ . 1 . ]" 1
435 1 46 GLN H 1 46 GLN HB3 4.000 . 5.500 3.565 3.505 3.580 . 0 0 "[ . 1 . ]" 1
436 1 46 GLN H 1 46 GLN HB2 3.000 . 3.300 2.338 2.199 2.389 . 0 0 "[ . 1 . ]" 1
437 1 46 GLN H 1 46 GLN HG3 4.000 . 5.500 3.822 3.538 3.889 . 0 0 "[ . 1 . ]" 1
438 1 46 GLN H 1 47 LYS H 3.000 . 3.300 2.693 2.653 2.732 . 0 0 "[ . 1 . ]" 1
439 1 46 GLN HA 1 47 LYS H 4.000 . 5.500 3.534 3.459 3.551 . 0 0 "[ . 1 . ]" 1
440 1 46 GLN HB2 1 47 LYS H 3.000 . 3.300 2.785 2.709 3.058 . 0 0 "[ . 1 . ]" 1
441 1 46 GLN HA 1 49 PHE HB3 3.000 . 3.300 2.417 2.316 2.624 . 0 0 "[ . 1 . ]" 1
442 1 46 GLN HA 1 49 PHE HB2 4.000 . 5.500 3.189 2.961 3.595 . 0 0 "[ . 1 . ]" 1
443 1 46 GLN HA 1 49 PHE H 4.000 . 5.500 3.408 3.324 3.623 . 0 0 "[ . 1 . ]" 1
444 1 46 GLN HA 1 50 MET H 4.000 . 5.500 3.767 3.414 4.142 . 0 0 "[ . 1 . ]" 1
445 1 47 LYS H 1 47 LYS HA 3.000 . 3.300 2.821 2.809 2.878 . 0 0 "[ . 1 . ]" 1
446 1 47 LYS HA 1 48 ASP H 4.000 . 5.500 3.562 3.556 3.575 . 0 0 "[ . 1 . ]" 1
447 1 47 LYS HB2 1 48 ASP H 4.000 . 5.500 3.724 3.554 3.769 . 0 0 "[ . 1 . ]" 1
448 1 47 LYS HB3 1 48 ASP H 3.000 . 3.300 2.384 2.169 2.442 . 0 0 "[ . 1 . ]" 1
449 1 47 LYS H 1 48 ASP H 3.000 . 3.300 2.740 2.671 2.806 . 0 0 "[ . 1 . ]" 1
450 1 47 LYS HA 1 50 MET HB3 4.000 . 5.500 3.270 3.045 3.562 . 0 0 "[ . 1 . ]" 1
451 1 47 LYS HA 1 50 MET H 4.000 . 5.500 3.748 3.623 3.842 . 0 0 "[ . 1 . ]" 1
452 1 47 LYS HA 1 51 THR H 4.000 . 5.500 4.285 3.954 4.555 . 0 0 "[ . 1 . ]" 1
453 1 48 ASP H 1 48 ASP HB3 4.000 . 5.500 3.584 3.583 3.586 . 0 0 "[ . 1 . ]" 1
454 1 48 ASP H 1 48 ASP HB2 3.000 . 3.300 2.427 2.421 2.442 . 0 0 "[ . 1 . ]" 1
455 1 48 ASP H 1 48 ASP HA 3.000 . 3.300 2.840 2.827 2.848 . 0 0 "[ . 1 . ]" 1
456 1 48 ASP HA 1 49 PHE H 4.000 . 5.500 3.529 3.476 3.543 . 0 0 "[ . 1 . ]" 1
457 1 48 ASP HB3 1 49 PHE H 4.000 . 5.500 3.653 3.590 3.891 . 0 0 "[ . 1 . ]" 1
458 1 48 ASP HB2 1 49 PHE H 4.000 . 5.500 2.668 2.588 2.966 . 0 0 "[ . 1 . ]" 1
459 1 48 ASP HA 1 60 PHE QE 4.500 . 6.000 4.597 3.298 5.648 . 0 0 "[ . 1 . ]" 1
460 1 48 ASP HA 1 60 PHE HZ 4.000 . 5.500 3.783 2.526 4.790 . 0 0 "[ . 1 . ]" 1
461 1 48 ASP HB3 1 60 PHE HZ 4.000 . 5.500 3.212 2.294 4.174 . 0 0 "[ . 1 . ]" 1
462 1 48 ASP HB3 1 60 PHE QE 4.500 . 6.000 3.384 2.286 4.561 . 0 0 "[ . 1 . ]" 1
463 1 49 PHE H 1 49 PHE HA 3.000 . 3.300 2.815 2.799 2.877 . 0 0 "[ . 1 . ]" 1
464 1 49 PHE H 1 49 PHE HB2 3.000 . 3.300 2.497 2.448 2.786 . 0 0 "[ . 1 . ]" 1
465 1 49 PHE H 1 49 PHE HB3 3.000 . 3.300 2.560 2.287 2.603 . 0 0 "[ . 1 . ]" 1
466 1 49 PHE HA 1 50 MET H 4.000 . 5.500 3.563 3.552 3.574 . 0 0 "[ . 1 . ]" 1
467 1 49 PHE HB3 1 50 MET H 3.000 . 3.300 2.423 2.280 2.604 . 0 0 "[ . 1 . ]" 1
468 1 49 PHE H 1 50 MET H 3.000 . 3.300 2.752 2.628 2.829 . 0 0 "[ . 1 . ]" 1
469 1 49 PHE QD 1 50 MET H 4.500 . 6.000 3.290 2.877 3.657 . 0 0 "[ . 1 . ]" 1
470 1 49 PHE HA 1 52 TYR H 5.000 . 6.500 3.589 3.490 3.731 . 0 0 "[ . 1 . ]" 1
471 1 49 PHE HA 1 52 TYR HB3 4.000 . 5.500 3.176 2.917 3.389 . 0 0 "[ . 1 . ]" 1
472 1 49 PHE QE 1 83 PHE QE 5.000 . 6.500 3.402 2.876 4.087 . 0 0 "[ . 1 . ]" 1
473 1 49 PHE QE 1 86 ILE MD 5.000 . 6.500 3.957 3.183 4.432 . 0 0 "[ . 1 . ]" 1
474 1 49 PHE QE 1 86 ILE MG 4.000 . 5.500 3.586 2.916 4.143 . 0 0 "[ . 1 . ]" 1
475 1 49 PHE HZ 1 86 ILE MG 4.500 . 6.000 3.247 2.499 3.884 . 0 0 "[ . 1 . ]" 1
476 1 49 PHE HZ 1 86 ILE MD 5.500 . 7.000 4.482 3.987 4.904 . 0 0 "[ . 1 . ]" 1
477 1 49 PHE HZ 1 87 ALA MB 4.500 . 6.000 4.089 3.538 4.530 . 0 0 "[ . 1 . ]" 1
478 1 49 PHE QE 1 87 ALA HA 4.500 . 6.000 4.162 3.610 4.579 . 0 0 "[ . 1 . ]" 1
479 1 49 PHE HZ 1 87 ALA HA 4.000 . 5.500 3.555 3.142 4.007 . 0 0 "[ . 1 . ]" 1
480 1 49 PHE QD 1 90 LEU MD2 6.000 . 7.500 4.060 3.650 5.013 . 0 0 "[ . 1 . ]" 1
481 1 49 PHE QE 1 90 LEU MD2 5.000 . 6.500 2.648 2.249 3.783 . 0 0 "[ . 1 . ]" 1
482 1 49 PHE QE 1 111 VAL MG1 6.000 . 7.500 3.961 3.111 4.605 . 0 0 "[ . 1 . ]" 1
483 1 49 PHE HZ 1 111 VAL MG1 5.500 . 7.000 4.061 3.538 4.761 . 0 0 "[ . 1 . ]" 1
484 1 50 MET H 1 50 MET HA 3.000 . 3.300 2.819 2.802 2.831 . 0 0 "[ . 1 . ]" 1
485 1 50 MET HB3 1 50 MET ME 4.500 . 6.000 3.847 3.011 4.257 . 0 0 "[ . 1 . ]" 1
486 1 50 MET HB2 1 50 MET ME 4.500 . 6.000 3.633 2.173 3.994 . 0 0 "[ . 1 . ]" 1
487 1 50 MET HA 1 51 THR H 4.000 . 5.500 3.537 3.445 3.560 . 0 0 "[ . 1 . ]" 1
488 1 50 MET H 1 51 THR H 2.800 . 3.000 2.681 2.635 2.709 . 0 0 "[ . 1 . ]" 1
489 1 50 MET HB3 1 51 THR H 4.000 . 5.500 2.634 2.472 3.074 . 0 0 "[ . 1 . ]" 1
490 1 50 MET HB2 1 51 THR H 5.000 . 6.500 3.860 3.787 4.150 . 0 0 "[ . 1 . ]" 1
491 1 50 MET HA 1 53 ALA MB 4.500 . 6.000 2.786 2.533 3.082 . 0 0 "[ . 1 . ]" 1
492 1 50 MET HA 1 53 ALA H 4.000 . 5.500 3.493 3.409 3.790 . 0 0 "[ . 1 . ]" 1
493 1 50 MET HA 1 90 LEU MD1 5.500 . 7.000 3.477 2.716 3.898 . 0 0 "[ . 1 . ]" 1
494 1 50 MET HA 1 90 LEU MD2 6.500 . 8.000 4.019 3.534 4.548 . 0 0 "[ . 1 . ]" 1
495 1 50 MET HB2 1 90 LEU MD1 5.500 . 7.000 4.232 3.810 4.665 . 0 0 "[ . 1 . ]" 1
496 1 50 MET HG3 1 90 LEU MD1 4.500 . 6.000 3.458 2.477 4.673 . 0 0 "[ . 1 . ]" 1
497 1 50 MET HG2 1 90 LEU MD1 4.500 . 6.000 4.572 3.684 5.018 . 0 0 "[ . 1 . ]" 1
498 1 50 MET ME 1 90 LEU MD1 5.000 . 6.500 3.469 2.667 4.395 . 0 0 "[ . 1 . ]" 1
499 1 50 MET ME 1 93 THR MG 6.000 . 7.500 3.631 2.449 4.468 . 0 0 "[ . 1 . ]" 1
500 1 50 MET ME 1 94 LEU MD2 5.000 . 6.500 3.870 2.722 4.431 . 0 0 "[ . 1 . ]" 1
501 1 50 MET ME 1 97 LEU MD1 6.000 . 7.500 3.974 3.348 4.608 . 0 0 "[ . 1 . ]" 1
502 1 51 THR HA 1 51 THR MG 3.500 . 3.800 2.263 2.217 2.360 . 0 0 "[ . 1 . ]" 1
503 1 51 THR H 1 51 THR HB 2.500 . 2.700 2.594 2.576 2.616 . 0 0 "[ . 1 . ]" 1
504 1 51 THR H 1 51 THR MG 4.500 . 6.000 3.744 3.741 3.762 . 0 0 "[ . 1 . ]" 1
505 1 51 THR HA 1 52 TYR H 4.000 . 5.500 3.542 3.527 3.574 . 0 0 "[ . 1 . ]" 1
506 1 51 THR HB 1 52 TYR H 3.000 . 3.300 2.566 2.200 2.656 . 0 0 "[ . 1 . ]" 1
507 1 51 THR MG 1 52 TYR H 4.500 . 6.000 3.590 3.330 3.668 . 0 0 "[ . 1 . ]" 1
508 1 51 THR H 1 52 TYR H 3.000 . 3.300 2.688 2.636 2.750 . 0 0 "[ . 1 . ]" 1
509 1 51 THR H 1 53 ALA H 5.000 . 6.500 4.141 3.668 4.231 . 0 0 "[ . 1 . ]" 1
510 1 51 THR MG 1 56 GLY HA3 3.500 . 3.800 2.230 2.026 2.720 . 0 0 "[ . 1 . ]" 1
511 1 51 THR MG 1 56 GLY H 4.500 . 6.000 3.454 3.231 3.929 . 0 0 "[ . 1 . ]" 1
512 1 51 THR HB 1 60 PHE QE 4.500 . 6.000 4.356 3.404 5.183 . 0 0 "[ . 1 . ]" 1
513 1 51 THR HB 1 60 PHE HZ 5.000 . 6.500 3.909 2.717 4.979 . 0 0 "[ . 1 . ]" 1
514 1 51 THR MG 1 60 PHE QE 6.000 . 7.500 3.725 2.696 4.932 . 0 0 "[ . 1 . ]" 1
515 1 51 THR MG 1 60 PHE HZ 5.500 . 7.000 4.064 2.383 5.339 . 0 0 "[ . 1 . ]" 1
516 1 52 TYR H 1 52 TYR HA 3.000 . 3.300 2.807 2.760 2.832 . 0 0 "[ . 1 . ]" 1
517 1 52 TYR H 1 52 TYR HB2 3.000 . 3.300 2.468 2.440 2.496 . 0 0 "[ . 1 . ]" 1
518 1 52 TYR H 1 52 TYR HB3 3.000 . 3.300 2.600 2.575 2.624 . 0 0 "[ . 1 . ]" 1
519 1 52 TYR HA 1 53 ALA H 4.000 . 5.500 3.527 3.422 3.547 . 0 0 "[ . 1 . ]" 1
520 1 52 TYR HB3 1 53 ALA H 3.000 . 3.300 2.692 2.568 3.147 . 0 0 "[ . 1 . ]" 1
521 1 52 TYR HB2 1 53 ALA H 4.000 . 5.500 3.901 3.831 4.157 . 0 0 "[ . 1 . ]" 1
522 1 52 TYR QD 1 53 ALA HA 4.500 . 6.000 3.250 3.192 3.347 . 0 0 "[ . 1 . ]" 1
523 1 52 TYR QD 1 53 ALA MB 6.000 . 7.500 4.077 3.854 4.311 . 0 0 "[ . 1 . ]" 1
524 1 52 TYR QD 1 53 ALA H 4.500 . 6.000 3.640 3.532 3.907 . 0 0 "[ . 1 . ]" 1
525 1 52 TYR H 1 53 ALA H 2.800 . 3.000 2.697 2.634 2.770 . 0 0 "[ . 1 . ]" 1
526 1 52 TYR HA 1 56 GLY H 4.000 . 5.500 2.642 2.147 3.264 . 0 0 "[ . 1 . ]" 1
527 1 52 TYR HA 1 57 THR HA 4.000 . 5.500 4.652 3.223 5.250 . 0 0 "[ . 1 . ]" 1
528 1 52 TYR HA 1 57 THR MG 5.500 . 7.000 4.165 3.432 4.824 . 0 0 "[ . 1 . ]" 1
529 1 52 TYR QD 1 57 THR HA 4.500 . 6.000 3.617 2.286 4.294 . 0 0 "[ . 1 . ]" 1
530 1 52 TYR QE 1 57 THR HA 6.500 . 8.000 3.710 2.716 4.451 . 0 0 "[ . 1 . ]" 1
531 1 52 TYR QE 1 57 THR HB 5.500 . 7.000 4.469 2.980 5.296 . 0 0 "[ . 1 . ]" 1
532 1 52 TYR QD 1 57 THR MG 6.000 . 7.500 3.757 2.991 4.607 . 0 0 "[ . 1 . ]" 1
533 1 52 TYR QE 1 57 THR MG 5.000 . 6.500 3.090 2.231 4.149 . 0 0 "[ . 1 . ]" 1
534 1 52 TYR HA 1 60 PHE QD 6.500 . 8.000 5.313 4.767 5.772 . 0 0 "[ . 1 . ]" 1
535 1 52 TYR HA 1 60 PHE QE 6.500 . 8.000 4.315 2.969 5.402 . 0 0 "[ . 1 . ]" 1
536 1 52 TYR HB2 1 60 PHE QD 6.500 . 8.000 4.869 4.045 5.460 . 0 0 "[ . 1 . ]" 1
537 1 52 TYR HB2 1 60 PHE QE 6.500 . 8.000 3.793 3.114 4.391 . 0 0 "[ . 1 . ]" 1
538 1 52 TYR QD 1 60 PHE HB3 6.500 . 8.000 5.026 3.512 6.120 . 0 0 "[ . 1 . ]" 1
539 1 52 TYR QD 1 60 PHE HB2 5.500 . 7.000 4.597 3.562 5.119 . 0 0 "[ . 1 . ]" 1
540 1 52 TYR QD 1 60 PHE QD 6.000 . 7.500 3.524 2.946 4.145 . 0 0 "[ . 1 . ]" 1
541 1 52 TYR QD 1 60 PHE QE 6.000 . 7.500 3.523 2.287 4.279 . 0 0 "[ . 1 . ]" 1
542 1 52 TYR H 1 60 PHE QE 4.500 . 6.000 4.821 4.220 5.556 . 0 0 "[ . 1 . ]" 1
543 1 52 TYR QD 1 110 ILE MG 6.000 . 7.500 3.785 3.168 4.122 . 0 0 "[ . 1 . ]" 1
544 1 52 TYR QE 1 110 ILE MG 5.000 . 6.500 3.632 2.741 4.192 . 0 0 "[ . 1 . ]" 1
545 1 52 TYR QD 1 111 VAL MG1 5.000 . 6.500 2.737 2.245 3.529 . 0 0 "[ . 1 . ]" 1
546 1 52 TYR QD 1 111 VAL HA 5.500 . 7.000 3.676 3.223 4.535 . 0 0 "[ . 1 . ]" 1
547 1 52 TYR QE 1 111 VAL MG1 6.000 . 7.500 3.592 2.954 4.302 . 0 0 "[ . 1 . ]" 1
548 1 52 TYR QE 1 111 VAL HA 4.500 . 6.000 2.714 2.281 3.894 . 0 0 "[ . 1 . ]" 1
549 1 52 TYR QE 1 116 HIS HB3 6.500 . 8.000 4.443 3.835 5.073 . 0 0 "[ . 1 . ]" 1
550 1 52 TYR QE 1 116 HIS HB2 4.500 . 6.000 3.792 3.242 4.347 . 0 0 "[ . 1 . ]" 1
551 1 53 ALA H 1 53 ALA HA 3.000 . 3.300 2.808 2.793 2.831 . 0 0 "[ . 1 . ]" 1
552 1 53 ALA H 1 54 PHE H 4.000 . 5.500 2.682 2.598 2.730 . 0 0 "[ . 1 . ]" 1
553 1 53 ALA HA 1 54 PHE H 4.000 . 5.500 3.512 3.498 3.551 . 0 0 "[ . 1 . ]" 1
554 1 53 ALA MB 1 54 PHE QD 5.000 . 6.500 2.868 2.313 3.501 . 0 0 "[ . 1 . ]" 1
555 1 53 ALA MB 1 54 PHE H 3.500 . 3.800 2.739 2.447 2.846 . 0 0 "[ . 1 . ]" 1
556 1 53 ALA HA 1 55 GLY H 5.000 . 6.500 3.557 3.340 3.647 . 0 0 "[ . 1 . ]" 1
557 1 53 ALA MB 1 90 LEU MD2 4.000 . 5.500 2.289 1.984 2.538 . 0 0 "[ . 1 . ]" 1
558 1 53 ALA MB 1 107 VAL MG1 4.000 . 5.500 2.578 2.167 2.760 . 0 0 "[ . 1 . ]" 1
559 1 53 ALA MB 1 107 VAL MG2 5.000 . 6.500 3.989 3.436 4.249 . 0 0 "[ . 1 . ]" 1
560 1 53 ALA MB 1 107 VAL HA 4.500 . 6.000 4.654 4.396 4.773 . 0 0 "[ . 1 . ]" 1
561 1 53 ALA HA 1 110 ILE MG 3.500 . 3.800 2.711 2.395 2.984 . 0 0 "[ . 1 . ]" 1
562 1 53 ALA HA 1 110 ILE HB 4.000 . 5.500 3.675 3.493 4.095 . 0 0 "[ . 1 . ]" 1
563 1 53 ALA HA 1 111 VAL H 4.000 . 5.500 4.358 4.127 4.571 . 0 0 "[ . 1 . ]" 1
564 1 53 ALA HA 1 111 VAL MG1 4.500 . 6.000 2.177 2.010 2.507 . 0 0 "[ . 1 . ]" 1
565 1 53 ALA HA 1 111 VAL MG2 4.500 . 6.000 4.514 4.350 4.658 . 0 0 "[ . 1 . ]" 1
566 1 53 ALA MB 1 111 VAL MG2 5.000 . 6.500 3.989 3.633 4.245 . 0 0 "[ . 1 . ]" 1
567 1 53 ALA MB 1 111 VAL MG1 4.000 . 5.500 2.376 2.005 2.830 . 0 0 "[ . 1 . ]" 1
568 1 53 ALA H 1 111 VAL MG1 4.500 . 6.000 3.894 3.546 4.250 . 0 0 "[ . 1 . ]" 1
569 1 54 PHE H 1 54 PHE HA 3.000 . 3.300 2.899 2.872 2.925 . 0 0 "[ . 1 . ]" 1
570 1 54 PHE H 1 54 PHE HB2 2.500 . 2.700 2.307 2.196 2.399 . 0 0 "[ . 1 . ]" 1
571 1 54 PHE H 1 54 PHE HB3 4.000 . 5.500 3.571 3.502 3.624 . 0 0 "[ . 1 . ]" 1
572 1 54 PHE HA 1 55 GLY H 4.000 . 5.500 3.218 3.123 3.323 . 0 0 "[ . 1 . ]" 1
573 1 54 PHE H 1 55 GLY H 3.000 . 3.300 2.578 2.482 2.765 . 0 0 "[ . 1 . ]" 1
574 1 54 PHE QE 1 90 LEU MD1 7.000 . 8.500 4.412 3.511 5.221 . 0 0 "[ . 1 . ]" 1
575 1 54 PHE QE 1 94 LEU MD2 5.000 . 6.500 4.156 3.298 4.896 . 0 0 "[ . 1 . ]" 1
576 1 54 PHE QE 1 94 LEU MD1 6.000 . 7.500 5.126 4.345 5.638 . 0 0 "[ . 1 . ]" 1
577 1 54 PHE HZ 1 94 LEU MD1 5.500 . 7.000 5.330 4.003 5.752 . 0 0 "[ . 1 . ]" 1
578 1 54 PHE HZ 1 94 LEU MD2 4.500 . 6.000 3.887 2.623 4.391 . 0 0 "[ . 1 . ]" 1
579 1 54 PHE HA 1 107 VAL MG2 5.500 . 7.000 4.419 3.350 5.016 . 0 0 "[ . 1 . ]" 1
580 1 54 PHE QE 1 107 VAL MG2 6.000 . 7.500 4.301 3.295 4.962 . 0 0 "[ . 1 . ]" 1
581 1 54 PHE QE 1 107 VAL MG1 6.000 . 7.500 4.649 3.610 5.430 . 0 0 "[ . 1 . ]" 1
582 1 54 PHE HA 1 110 ILE MD 4.500 . 6.000 3.071 2.267 3.802 . 0 0 "[ . 1 . ]" 1
583 1 55 GLY H 1 55 GLY HA2 3.000 . 3.300 2.354 2.319 2.380 . 0 0 "[ . 1 . ]" 1
584 1 55 GLY HA3 1 56 GLY H 4.000 . 5.500 3.428 3.292 3.532 . 0 0 "[ . 1 . ]" 1
585 1 55 GLY HA2 1 56 GLY H 3.000 . 3.300 3.072 2.866 3.264 . 0 0 "[ . 1 . ]" 1
586 1 55 GLY H 1 56 GLY H 2.800 . 3.000 2.297 2.201 2.437 . 0 0 "[ . 1 . ]" 1
587 1 55 GLY H 1 57 THR H 4.000 . 5.500 5.087 4.377 5.545 0.045 9 0 "[ . 1 . ]" 1
588 1 55 GLY HA3 1 110 ILE MD 5.500 . 7.000 3.678 2.902 4.322 . 0 0 "[ . 1 . ]" 1
589 1 55 GLY HA3 1 110 ILE MG 6.500 . 8.000 3.436 3.103 3.881 . 0 0 "[ . 1 . ]" 1
590 1 55 GLY HA2 1 110 ILE MD 4.500 . 6.000 3.852 3.000 4.569 . 0 0 "[ . 1 . ]" 1
591 1 55 GLY HA2 1 110 ILE MG 6.500 . 8.000 2.716 2.237 3.130 . 0 0 "[ . 1 . ]" 1
592 1 55 GLY H 1 110 ILE MG 4.500 . 6.000 2.809 2.320 3.322 . 0 0 "[ . 1 . ]" 1
593 1 56 GLY H 1 56 GLY HA3 3.000 . 3.300 2.306 2.300 2.314 . 0 0 "[ . 1 . ]" 1
594 1 56 GLY H 1 57 THR H 4.000 . 5.500 3.612 2.881 3.975 . 0 0 "[ . 1 . ]" 1
595 1 56 GLY HA2 1 57 THR H 4.000 . 5.500 2.619 2.385 3.119 . 0 0 "[ . 1 . ]" 1
596 1 56 GLY HA3 1 57 THR H 4.000 . 5.500 3.551 3.411 3.577 . 0 0 "[ . 1 . ]" 1
597 1 57 THR HA 1 57 THR MG 3.500 . 3.800 2.379 2.309 2.456 . 0 0 "[ . 1 . ]" 1
598 1 57 THR H 1 57 THR HB 4.000 . 5.500 3.626 3.583 3.724 . 0 0 "[ . 1 . ]" 1
599 1 57 THR H 1 57 THR MG 3.500 . 3.800 2.231 2.046 2.620 . 0 0 "[ . 1 . ]" 1
600 1 57 THR H 1 58 ASP H 3.000 . 3.300 2.653 2.477 3.043 . 0 0 "[ . 1 . ]" 1
601 1 57 THR HA 1 60 PHE QD 4.500 . 6.000 3.035 2.281 4.347 . 0 0 "[ . 1 . ]" 1
602 1 58 ASP H 1 59 ARG H 4.000 . 5.500 3.353 2.755 4.644 . 0 0 "[ . 1 . ]" 1
603 1 59 ARG H 1 60 PHE H 4.000 . 5.500 3.176 1.985 4.647 . 0 0 "[ . 1 . ]" 1
604 1 60 PHE HB3 1 65 MET ME 5.500 . 7.000 3.855 2.276 5.306 . 0 0 "[ . 1 . ]" 1
605 1 60 PHE HA 1 65 MET ME 4.500 . 6.000 3.876 2.556 4.875 . 0 0 "[ . 1 . ]" 1
606 1 60 PHE QD 1 65 MET ME 5.000 . 6.500 3.816 2.903 4.604 . 0 0 "[ . 1 . ]" 1
607 1 62 GLY HA2 1 65 MET ME 5.500 . 7.000 4.602 3.400 5.564 . 0 0 "[ . 1 . ]" 1
608 1 64 SER HA 1 67 ALA MB 5.500 . 7.000 3.611 2.537 4.682 . 0 0 "[ . 1 . ]" 1
609 1 65 MET HA 1 65 MET HB3 3.000 . 3.300 2.497 2.429 2.526 . 0 0 "[ . 1 . ]" 1
610 1 65 MET HB3 1 65 MET HG3 3.000 . 3.300 2.510 2.487 2.613 . 0 0 "[ . 1 . ]" 1
611 1 65 MET HA 1 65 MET ME 3.500 . 3.800 2.790 2.289 2.963 . 0 0 "[ . 1 . ]" 1
612 1 65 MET HA 1 66 ARG H 5.000 . 6.500 3.529 3.504 3.556 . 0 0 "[ . 1 . ]" 1
613 1 65 MET HB2 1 66 ARG H 4.000 . 5.500 2.716 2.477 2.798 . 0 0 "[ . 1 . ]" 1
614 1 65 MET HB2 1 67 ALA H 5.000 . 6.500 5.116 5.040 5.243 . 0 0 "[ . 1 . ]" 1
615 1 65 MET HA 1 68 ALA H 4.000 . 5.500 3.373 3.226 3.864 . 0 0 "[ . 1 . ]" 1
616 1 65 MET HA 1 68 ALA MB 4.500 . 6.000 2.698 2.419 2.971 . 0 0 "[ . 1 . ]" 1
617 1 65 MET ME 1 68 ALA MB 5.000 . 6.500 3.937 3.376 4.230 . 0 0 "[ . 1 . ]" 1
618 1 65 MET HG3 1 116 HIS HE1 5.000 . 6.500 5.023 4.080 5.875 . 0 0 "[ . 1 . ]" 1
619 1 66 ARG H 1 67 ALA H 3.000 . 3.300 2.716 2.642 2.851 . 0 0 "[ . 1 . ]" 1
620 1 66 ARG HA 1 119 ASP HA 4.000 . 5.500 4.387 4.221 4.694 . 0 0 "[ . 1 . ]" 1
621 1 66 ARG QG 1 119 ASP HA 4.500 . 6.000 2.322 2.246 2.684 . 0 0 "[ . 1 . ]" 1
622 1 66 ARG HE 1 119 ASP HA 5.000 . 6.500 2.528 1.858 3.599 . 0 0 "[ . 1 . ]" 1
623 1 66 ARG HA 1 122 ASN HD21 4.000 . 5.500 5.418 4.875 5.531 0.031 13 0 "[ . 1 . ]" 1
624 1 66 ARG HA 1 122 ASN HD22 4.000 . 5.500 4.118 3.598 4.327 . 0 0 "[ . 1 . ]" 1
625 1 67 ALA H 1 67 ALA HA 3.000 . 3.300 2.822 2.772 2.846 . 0 0 "[ . 1 . ]" 1
626 1 67 ALA HA 1 68 ALA H 4.000 . 5.500 3.528 3.516 3.562 . 0 0 "[ . 1 . ]" 1
627 1 67 ALA MB 1 68 ALA HA 4.500 . 6.000 3.770 3.689 3.838 . 0 0 "[ . 1 . ]" 1
628 1 67 ALA MB 1 68 ALA H 3.500 . 3.800 2.667 2.411 2.785 . 0 0 "[ . 1 . ]" 1
629 1 67 ALA H 1 68 ALA H 3.000 . 3.300 2.652 2.578 2.867 . 0 0 "[ . 1 . ]" 1
630 1 67 ALA HA 1 70 GLN H 4.000 . 5.500 3.135 3.061 3.228 . 0 0 "[ . 1 . ]" 1
631 1 68 ALA MB 1 69 HIS H 4.500 . 6.000 2.666 2.383 2.773 . 0 0 "[ . 1 . ]" 1
632 1 68 ALA MB 1 69 HIS HD1 4.500 . 6.000 3.067 2.833 3.481 . 0 0 "[ . 1 . ]" 1
633 1 68 ALA H 1 69 HIS H 3.000 . 3.300 2.656 2.597 2.849 . 0 0 "[ . 1 . ]" 1
634 1 69 HIS H 1 69 HIS HD1 4.000 . 5.500 2.661 2.591 2.941 . 0 0 "[ . 1 . ]" 1
635 1 69 HIS HA 1 70 GLN H 4.000 . 5.500 3.407 3.364 3.444 . 0 0 "[ . 1 . ]" 1
636 1 69 HIS H 1 70 GLN H 3.000 . 3.300 2.234 2.176 2.413 . 0 0 "[ . 1 . ]" 1
637 1 69 HIS HA 1 72 LEU H 4.000 . 5.500 3.323 3.177 3.548 . 0 0 "[ . 1 . ]" 1
638 1 69 HIS HA 1 72 LEU HG 4.000 . 5.500 2.715 2.348 3.062 . 0 0 "[ . 1 . ]" 1
639 1 69 HIS HD1 1 120 VAL HA 4.000 . 5.500 4.725 4.192 5.286 . 0 0 "[ . 1 . ]" 1
640 1 69 HIS HB2 1 120 VAL HA 4.000 . 5.500 3.744 3.364 4.239 . 0 0 "[ . 1 . ]" 1
641 1 70 GLN HA 1 70 GLN HG2 4.000 . 5.500 3.030 2.878 3.700 . 0 0 "[ . 1 . ]" 1
642 1 70 GLN HA 1 70 GLN HG3 4.000 . 5.500 2.460 2.278 2.839 . 0 0 "[ . 1 . ]" 1
643 1 70 GLN H 1 70 GLN HB3 3.000 . 3.300 2.634 2.602 2.687 . 0 0 "[ . 1 . ]" 1
644 1 70 GLN H 1 70 GLN HB2 3.000 . 3.300 2.445 2.391 2.470 . 0 0 "[ . 1 . ]" 1
645 1 70 GLN H 1 71 ASP H 3.000 . 3.300 2.717 2.687 2.736 . 0 0 "[ . 1 . ]" 1
646 1 70 GLN HB3 1 71 ASP H 3.000 . 3.300 2.641 2.573 2.686 . 0 0 "[ . 1 . ]" 1
647 1 70 GLN HB2 1 71 ASP H 4.000 . 5.500 3.857 3.764 3.893 . 0 0 "[ . 1 . ]" 1
648 1 70 GLN H 1 72 LEU H 4.000 . 5.500 4.257 4.043 4.336 . 0 0 "[ . 1 . ]" 1
649 1 70 GLN HA 1 73 VAL H 4.000 . 5.500 3.356 3.243 3.458 . 0 0 "[ . 1 . ]" 1
650 1 70 GLN HA 1 73 VAL HB 3.000 . 3.300 2.935 2.728 3.174 . 0 0 "[ . 1 . ]" 1
651 1 70 GLN HA 1 73 VAL MG2 4.500 . 6.000 2.813 2.475 3.210 . 0 0 "[ . 1 . ]" 1
652 1 70 GLN HA 1 73 VAL MG1 5.500 . 7.000 4.281 4.103 4.571 . 0 0 "[ . 1 . ]" 1
653 1 70 GLN HA 1 122 ASN HD22 5.000 . 6.500 2.348 1.829 3.315 . 0 0 "[ . 1 . ]" 1
654 1 71 ASP H 1 71 ASP HA 3.000 . 3.300 2.797 2.776 2.812 . 0 0 "[ . 1 . ]" 1
655 1 71 ASP H 1 71 ASP HB2 3.000 . 3.300 2.453 2.441 2.469 . 0 0 "[ . 1 . ]" 1
656 1 71 ASP H 1 71 ASP HB3 4.000 . 5.500 3.584 3.583 3.588 . 0 0 "[ . 1 . ]" 1
657 1 71 ASP HA 1 72 LEU H 4.000 . 5.500 3.535 3.462 3.547 . 0 0 "[ . 1 . ]" 1
658 1 71 ASP HB2 1 72 LEU H 4.000 . 5.500 2.679 2.627 3.030 . 0 0 "[ . 1 . ]" 1
659 1 71 ASP H 1 72 LEU H 3.000 . 3.300 2.733 2.683 2.775 . 0 0 "[ . 1 . ]" 1
660 1 71 ASP HA 1 74 GLU QB 4.500 . 6.000 2.881 2.689 3.064 . 0 0 "[ . 1 . ]" 1
661 1 71 ASP HA 1 74 GLU H 4.000 . 5.500 3.486 3.415 3.783 . 0 0 "[ . 1 . ]" 1
662 1 71 ASP HA 1 75 ASN H 4.000 . 5.500 4.394 4.052 4.761 . 0 0 "[ . 1 . ]" 1
663 1 71 ASP HA 1 75 ASN HD22 5.000 . 6.500 4.977 3.774 6.219 . 0 0 "[ . 1 . ]" 1
664 1 71 ASP HA 1 75 ASN HD21 5.000 . 6.500 5.350 4.208 6.279 . 0 0 "[ . 1 . ]" 1
665 1 72 LEU HA 1 72 LEU MD2 3.500 . 3.800 2.065 2.045 2.162 . 0 0 "[ . 1 . ]" 1
666 1 72 LEU H 1 72 LEU HB2 3.000 . 3.300 2.556 2.488 2.697 . 0 0 "[ . 1 . ]" 1
667 1 72 LEU H 1 72 LEU HG 4.000 . 5.500 2.002 1.865 2.088 . 0 0 "[ . 1 . ]" 1
668 1 72 LEU HB3 1 73 VAL H 4.000 . 5.500 3.720 3.509 3.792 . 0 0 "[ . 1 . ]" 1
669 1 72 LEU HB2 1 73 VAL H 3.000 . 3.300 2.596 2.146 2.712 . 0 0 "[ . 1 . ]" 1
670 1 72 LEU H 1 73 VAL HA 4.000 . 5.500 5.281 5.248 5.329 . 0 0 "[ . 1 . ]" 1
671 1 72 LEU H 1 73 VAL H 2.800 . 3.000 2.666 2.621 2.720 . 0 0 "[ . 1 . ]" 1
672 1 72 LEU HA 1 75 ASN H 4.000 . 5.500 3.505 3.400 3.576 . 0 0 "[ . 1 . ]" 1
673 1 72 LEU HA 1 76 ALA H 4.000 . 5.500 3.123 2.858 3.274 . 0 0 "[ . 1 . ]" 1
674 1 72 LEU HA 1 76 ALA MB 4.500 . 6.000 3.689 2.836 3.953 . 0 0 "[ . 1 . ]" 1
675 1 72 LEU HB3 1 76 ALA MB 5.500 . 7.000 3.436 2.407 3.910 . 0 0 "[ . 1 . ]" 1
676 1 72 LEU MD1 1 78 LEU MD2 6.000 . 7.500 3.278 2.664 4.238 . 0 0 "[ . 1 . ]" 1
677 1 72 LEU HB3 1 78 LEU HB2 4.000 . 5.500 3.877 3.595 4.288 . 0 0 "[ . 1 . ]" 1
678 1 72 LEU HB3 1 78 LEU MD1 5.500 . 7.000 4.404 3.733 4.843 . 0 0 "[ . 1 . ]" 1
679 1 72 LEU HB3 1 78 LEU H 5.000 . 6.500 5.579 4.911 6.267 . 0 0 "[ . 1 . ]" 1
680 1 73 VAL H 1 73 VAL MG2 3.500 . 3.800 2.228 1.799 2.372 0.001 1 0 "[ . 1 . ]" 1
681 1 73 VAL HB 1 74 GLU H 3.000 . 3.300 2.638 2.429 3.143 . 0 0 "[ . 1 . ]" 1
682 1 73 VAL HB 1 74 GLU HA 5.000 . 6.500 4.348 4.315 4.377 . 0 0 "[ . 1 . ]" 1
683 1 73 VAL MG1 1 74 GLU HA 5.500 . 7.000 3.451 3.352 3.804 . 0 0 "[ . 1 . ]" 1
684 1 73 VAL H 1 74 GLU H 2.800 . 3.000 2.677 2.630 2.771 . 0 0 "[ . 1 . ]" 1
685 1 73 VAL HA 1 78 LEU H 3.000 . 3.300 3.105 2.748 3.310 0.010 12 0 "[ . 1 . ]" 1
686 1 73 VAL HA 1 78 LEU HB3 4.000 . 5.500 4.036 3.107 4.312 . 0 0 "[ . 1 . ]" 1
687 1 73 VAL HA 1 78 LEU HB2 4.000 . 5.500 4.067 3.545 4.881 . 0 0 "[ . 1 . ]" 1
688 1 73 VAL HA 1 78 LEU MD2 5.500 . 7.000 5.046 4.394 5.494 . 0 0 "[ . 1 . ]" 1
689 1 73 VAL MG2 1 78 LEU MD2 5.000 . 6.500 3.393 2.702 3.843 . 0 0 "[ . 1 . ]" 1
690 1 73 VAL MG2 1 78 LEU HB2 4.500 . 6.000 3.573 2.906 4.277 . 0 0 "[ . 1 . ]" 1
691 1 73 VAL MG2 1 78 LEU HB3 4.500 . 6.000 2.828 2.295 3.204 . 0 0 "[ . 1 . ]" 1
692 1 73 VAL MG2 1 78 LEU H 4.500 . 6.000 3.338 2.978 3.921 . 0 0 "[ . 1 . ]" 1
693 1 73 VAL MG2 1 121 LEU HA 4.500 . 6.000 4.093 3.333 4.732 . 0 0 "[ . 1 . ]" 1
694 1 73 VAL MG1 1 122 ASN QB 5.000 . 6.500 4.069 3.328 4.559 . 0 0 "[ . 1 . ]" 1
695 1 73 VAL MG2 1 122 ASN QB 5.000 . 6.500 3.448 2.457 4.116 . 0 0 "[ . 1 . ]" 1
696 1 73 VAL MG2 1 122 ASN H 5.500 . 7.000 5.208 4.726 5.581 . 0 0 "[ . 1 . ]" 1
697 1 74 GLU H 1 74 GLU HA 3.000 . 3.300 2.828 2.807 2.884 . 0 0 "[ . 1 . ]" 1
698 1 74 GLU HA 1 75 ASN H 4.000 . 5.500 3.532 3.518 3.571 . 0 0 "[ . 1 . ]" 1
699 1 75 ASN HB2 1 76 ALA H 4.000 . 5.500 2.162 2.118 2.185 . 0 0 "[ . 1 . ]" 1
700 1 75 ASN H 1 76 ALA H 2.800 . 3.000 2.564 2.378 2.688 . 0 0 "[ . 1 . ]" 1
701 1 75 ASN H 1 76 ALA MB 5.500 . 7.000 4.485 4.077 4.635 . 0 0 "[ . 1 . ]" 1
702 1 76 ALA HA 1 77 GLY H 4.000 . 5.500 2.259 2.197 2.383 . 0 0 "[ . 1 . ]" 1
703 1 76 ALA MB 1 77 GLY H 4.500 . 6.000 2.778 2.434 2.928 . 0 0 "[ . 1 . ]" 1
704 1 76 ALA H 1 77 GLY H 4.000 . 5.500 4.533 4.515 4.620 . 0 0 "[ . 1 . ]" 1
705 1 77 GLY H 1 78 LEU H 4.000 . 5.500 4.303 3.674 4.525 . 0 0 "[ . 1 . ]" 1
706 1 78 LEU HA 1 78 LEU MD1 3.500 . 3.800 2.153 2.085 2.216 . 0 0 "[ . 1 . ]" 1
707 1 78 LEU H 1 78 LEU HB2 3.000 . 3.300 2.775 2.495 2.849 . 0 0 "[ . 1 . ]" 1
708 1 78 LEU H 1 78 LEU HB3 3.000 . 3.300 2.581 2.554 2.602 . 0 0 "[ . 1 . ]" 1
709 1 78 LEU HA 1 79 THR H 2.500 . 2.700 2.175 2.155 2.272 . 0 0 "[ . 1 . ]" 1
710 1 78 LEU MD1 1 79 THR H 4.500 . 6.000 2.565 1.848 3.098 . 0 0 "[ . 1 . ]" 1
711 1 78 LEU HG 1 79 THR H 4.000 . 5.500 2.612 2.332 2.795 . 0 0 "[ . 1 . ]" 1
712 1 78 LEU MD1 1 82 HIS HD2 5.500 . 7.000 3.858 3.063 4.676 . 0 0 "[ . 1 . ]" 1
713 1 78 LEU MD1 1 82 HIS HE1 5.500 . 7.000 3.989 3.345 4.930 . 0 0 "[ . 1 . ]" 1
714 1 78 LEU MD1 1 82 HIS HB3 5.500 . 7.000 2.571 2.273 2.971 . 0 0 "[ . 1 . ]" 1
715 1 78 LEU MD1 1 82 HIS HB2 4.500 . 6.000 2.348 2.161 2.579 . 0 0 "[ . 1 . ]" 1
716 1 78 LEU MD1 1 82 HIS H 4.500 . 6.000 4.173 3.905 4.610 . 0 0 "[ . 1 . ]" 1
717 1 78 LEU MD1 1 83 PHE H 5.500 . 7.000 4.345 4.038 4.676 . 0 0 "[ . 1 . ]" 1
718 1 79 THR H 1 79 THR MG 3.500 . 3.800 2.707 2.511 3.038 . 0 0 "[ . 1 . ]" 1
719 1 79 THR HA 1 80 ASP H 3.000 . 3.300 2.423 2.347 2.673 . 0 0 "[ . 1 . ]" 1
720 1 79 THR HB 1 80 ASP H 4.000 . 5.500 2.414 1.940 2.585 . 0 0 "[ . 1 . ]" 1
721 1 79 THR MG 1 80 ASP H 4.500 . 6.000 3.766 3.559 3.872 . 0 0 "[ . 1 . ]" 1
722 1 79 THR MG 1 81 VAL H 6.500 . 8.000 4.452 4.350 4.735 . 0 0 "[ . 1 . ]" 1
723 1 79 THR MG 1 82 HIS HE1 5.500 . 7.000 2.800 2.414 3.287 . 0 0 "[ . 1 . ]" 1
724 1 79 THR H 1 82 HIS HB3 4.000 . 5.500 4.492 3.842 4.925 . 0 0 "[ . 1 . ]" 1
725 1 79 THR H 1 82 HIS HB2 4.000 . 5.500 3.243 2.689 3.649 . 0 0 "[ . 1 . ]" 1
726 1 79 THR H 1 82 HIS HE1 4.000 . 5.500 2.923 2.295 3.622 . 0 0 "[ . 1 . ]" 1
727 1 79 THR H 1 82 HIS H 4.000 . 5.500 3.683 3.442 3.913 . 0 0 "[ . 1 . ]" 1
728 1 79 THR HA 1 121 LEU MD2 4.500 . 6.000 3.208 2.469 4.273 . 0 0 "[ . 1 . ]" 1
729 1 79 THR HA 1 121 LEU MD1 5.500 . 7.000 5.103 4.283 5.671 . 0 0 "[ . 1 . ]" 1
730 1 79 THR H 1 121 LEU MD2 5.500 . 7.000 4.984 4.326 5.536 . 0 0 "[ . 1 . ]" 1
731 1 80 ASP H 1 80 ASP HB3 4.000 . 5.500 3.579 3.575 3.584 . 0 0 "[ . 1 . ]" 1
732 1 80 ASP H 1 80 ASP HB2 3.000 . 3.300 2.435 2.356 2.458 . 0 0 "[ . 1 . ]" 1
733 1 80 ASP HB3 1 81 VAL H 4.000 . 5.500 3.656 3.263 3.719 . 0 0 "[ . 1 . ]" 1
734 1 80 ASP HB2 1 81 VAL H 4.000 . 5.500 2.744 2.355 2.828 . 0 0 "[ . 1 . ]" 1
735 1 80 ASP H 1 81 VAL H 3.000 . 3.300 2.774 2.608 2.828 . 0 0 "[ . 1 . ]" 1
736 1 80 ASP HA 1 83 PHE H 4.000 . 5.500 3.307 3.146 3.492 . 0 0 "[ . 1 . ]" 1
737 1 80 ASP HA 1 83 PHE HB3 4.000 . 5.500 3.315 2.992 3.475 . 0 0 "[ . 1 . ]" 1
738 1 80 ASP HA 1 121 LEU MD1 4.500 . 6.000 4.300 3.176 4.921 . 0 0 "[ . 1 . ]" 1
739 1 81 VAL HA 1 81 VAL MG2 3.500 . 3.800 2.251 2.188 2.375 . 0 0 "[ . 1 . ]" 1
740 1 81 VAL H 1 81 VAL MG1 3.500 . 3.800 2.498 1.871 2.635 . 0 0 "[ . 1 . ]" 1
741 1 81 VAL H 1 81 VAL MG2 4.500 . 6.000 3.689 3.662 3.750 . 0 0 "[ . 1 . ]" 1
742 1 81 VAL H 1 81 VAL HA 3.000 . 3.300 2.769 2.735 2.795 . 0 0 "[ . 1 . ]" 1
743 1 81 VAL H 1 81 VAL HB 3.000 . 3.300 2.316 2.254 2.665 . 0 0 "[ . 1 . ]" 1
744 1 81 VAL HA 1 82 HIS H 4.000 . 5.500 3.534 3.420 3.549 . 0 0 "[ . 1 . ]" 1
745 1 81 VAL HB 1 82 HIS H 4.000 . 5.500 3.787 3.693 4.184 . 0 0 "[ . 1 . ]" 1
746 1 81 VAL MG1 1 82 HIS H 4.500 . 6.000 1.841 1.744 2.503 0.056 16 0 "[ . 1 . ]" 1
747 1 81 VAL MG1 1 82 HIS HD2 5.500 . 7.000 3.963 3.261 4.356 . 0 0 "[ . 1 . ]" 1
748 1 81 VAL MG1 1 82 HIS HE1 5.500 . 7.000 3.355 3.123 3.914 . 0 0 "[ . 1 . ]" 1
749 1 81 VAL MG2 1 82 HIS H 5.500 . 7.000 3.829 3.352 3.919 . 0 0 "[ . 1 . ]" 1
750 1 81 VAL MG2 1 82 HIS HD2 6.500 . 8.000 5.613 4.134 6.033 . 0 0 "[ . 1 . ]" 1
751 1 81 VAL MG2 1 82 HIS HE1 6.500 . 8.000 5.762 5.377 6.346 . 0 0 "[ . 1 . ]" 1
752 1 81 VAL H 1 82 HIS H 3.000 . 3.300 2.821 2.753 2.900 . 0 0 "[ . 1 . ]" 1
753 1 81 VAL HA 1 84 ASP HB3 5.000 . 6.500 2.945 2.746 3.209 . 0 0 "[ . 1 . ]" 1
754 1 81 VAL HA 1 84 ASP HB2 5.000 . 6.500 3.402 3.235 3.584 . 0 0 "[ . 1 . ]" 1
755 1 81 VAL HA 1 84 ASP H 4.000 . 5.500 3.397 3.348 3.497 . 0 0 "[ . 1 . ]" 1
756 1 82 HIS H 1 82 HIS HA 3.000 . 3.300 2.810 2.797 2.885 . 0 0 "[ . 1 . ]" 1
757 1 82 HIS H 1 82 HIS HB3 4.000 . 5.500 3.588 3.586 3.591 . 0 0 "[ . 1 . ]" 1
758 1 82 HIS H 1 82 HIS HB2 3.000 . 3.300 2.447 2.366 2.472 . 0 0 "[ . 1 . ]" 1
759 1 82 HIS HA 1 82 HIS HB3 3.000 . 3.300 2.510 2.498 2.549 . 0 0 "[ . 1 . ]" 1
760 1 82 HIS HA 1 82 HIS HD2 3.000 . 3.300 3.002 2.363 3.221 . 0 0 "[ . 1 . ]" 1
761 1 82 HIS HB3 1 82 HIS HD2 3.000 . 3.300 2.940 2.853 3.262 . 0 0 "[ . 1 . ]" 1
762 1 82 HIS HA 1 83 PHE H 4.000 . 5.500 3.547 3.536 3.558 . 0 0 "[ . 1 . ]" 1
763 1 82 HIS HB3 1 83 PHE H 4.000 . 5.500 3.556 3.452 3.616 . 0 0 "[ . 1 . ]" 1
764 1 82 HIS HB2 1 83 PHE H 3.000 . 3.300 2.582 2.536 2.635 . 0 0 "[ . 1 . ]" 1
765 1 82 HIS H 1 83 PHE HB2 4.000 . 5.500 5.047 4.888 5.150 . 0 0 "[ . 1 . ]" 1
766 1 82 HIS H 1 83 PHE H 2.800 . 3.000 2.718 2.467 2.787 . 0 0 "[ . 1 . ]" 1
767 1 82 HIS H 1 84 ASP H 4.000 . 5.500 4.217 3.909 4.295 . 0 0 "[ . 1 . ]" 1
768 1 82 HIS HA 1 85 ALA MB 3.500 . 3.800 2.626 2.372 2.866 . 0 0 "[ . 1 . ]" 1
769 1 82 HIS HA 1 85 ALA H 4.000 . 5.500 3.422 3.312 3.554 . 0 0 "[ . 1 . ]" 1
770 1 82 HIS HD2 1 85 ALA MB 4.500 . 6.000 4.360 3.897 4.843 . 0 0 "[ . 1 . ]" 1
771 1 83 PHE H 1 83 PHE HA 3.000 . 3.300 2.813 2.800 2.840 . 0 0 "[ . 1 . ]" 1
772 1 83 PHE H 1 83 PHE HB3 3.000 . 3.300 2.584 2.502 2.605 . 0 0 "[ . 1 . ]" 1
773 1 83 PHE H 1 83 PHE HB2 3.000 . 3.300 2.476 2.448 2.575 . 0 0 "[ . 1 . ]" 1
774 1 83 PHE HB3 1 84 ASP H 3.000 . 3.300 2.502 2.441 2.678 . 0 0 "[ . 1 . ]" 1
775 1 83 PHE QD 1 84 ASP HA 4.500 . 6.000 3.143 2.825 3.229 . 0 0 "[ . 1 . ]" 1
776 1 83 PHE H 1 84 ASP H 3.000 . 3.300 2.712 2.594 2.747 . 0 0 "[ . 1 . ]" 1
777 1 83 PHE HA 1 86 ILE MG 4.500 . 6.000 2.440 2.177 2.974 . 0 0 "[ . 1 . ]" 1
778 1 83 PHE QE 1 87 ALA MB 6.000 . 7.500 3.132 2.758 3.566 . 0 0 "[ . 1 . ]" 1
779 1 83 PHE QD 1 87 ALA MB 6.000 . 7.500 3.258 3.028 3.547 . 0 0 "[ . 1 . ]" 1
780 1 83 PHE QE 1 112 GLY HA2 5.500 . 7.000 3.955 2.999 5.344 . 0 0 "[ . 1 . ]" 1
781 1 83 PHE QE 1 116 HIS HD2 5.500 . 7.000 3.175 2.689 3.895 . 0 0 "[ . 1 . ]" 1
782 1 83 PHE HZ 1 116 HIS HD2 4.000 . 5.500 3.132 2.633 3.786 . 0 0 "[ . 1 . ]" 1
783 1 83 PHE QD 1 117 ARG HA 6.500 . 8.000 4.571 4.246 5.016 . 0 0 "[ . 1 . ]" 1
784 1 83 PHE QE 1 117 ARG HA 4.500 . 6.000 4.481 3.755 5.214 . 0 0 "[ . 1 . ]" 1
785 1 83 PHE HZ 1 117 ARG HB2 5.000 . 6.500 5.141 4.001 6.188 . 0 0 "[ . 1 . ]" 1
786 1 83 PHE QD 1 120 VAL HB 5.500 . 7.000 4.662 3.883 5.112 . 0 0 "[ . 1 . ]" 1
787 1 83 PHE QE 1 120 VAL HB 5.500 . 7.000 5.649 3.919 6.293 . 0 0 "[ . 1 . ]" 1
788 1 84 ASP H 1 84 ASP HA 3.000 . 3.300 2.820 2.805 2.845 . 0 0 "[ . 1 . ]" 1
789 1 84 ASP H 1 84 ASP HB3 2.500 . 2.700 2.613 2.557 2.636 . 0 0 "[ . 1 . ]" 1
790 1 84 ASP H 1 85 ALA H 2.800 . 3.000 2.653 2.546 2.712 . 0 0 "[ . 1 . ]" 1
791 1 84 ASP HA 1 87 ALA MB 3.500 . 3.800 2.305 2.235 2.379 . 0 0 "[ . 1 . ]" 1
792 1 84 ASP HA 1 87 ALA H 4.000 . 5.500 3.608 3.405 3.716 . 0 0 "[ . 1 . ]" 1
793 1 85 ALA HA 1 86 ILE H 4.000 . 5.500 3.584 3.574 3.590 . 0 0 "[ . 1 . ]" 1
794 1 85 ALA MB 1 86 ILE H 3.500 . 3.800 2.167 2.022 2.363 . 0 0 "[ . 1 . ]" 1
795 1 85 ALA H 1 86 ILE H 2.800 . 3.000 2.893 2.808 3.008 0.008 2 0 "[ . 1 . ]" 1
796 1 85 ALA HA 1 87 ALA H 4.000 . 5.500 4.270 4.159 4.367 . 0 0 "[ . 1 . ]" 1
797 1 85 ALA H 1 87 ALA H 4.000 . 5.500 3.805 3.730 3.864 . 0 0 "[ . 1 . ]" 1
798 1 85 ALA HA 1 88 GLU HB3 4.000 . 5.500 3.894 3.147 5.264 . 0 0 "[ . 1 . ]" 1
799 1 85 ALA HA 1 88 GLU H 4.000 . 5.500 3.658 3.606 3.776 . 0 0 "[ . 1 . ]" 1
800 1 86 ILE HA 1 86 ILE MG 3.500 . 3.800 3.183 3.172 3.193 . 0 0 "[ . 1 . ]" 1
801 1 86 ILE HA 1 86 ILE MD 4.500 . 6.000 3.656 3.648 3.663 . 0 0 "[ . 1 . ]" 1
802 1 86 ILE H 1 86 ILE HA 3.000 . 3.300 2.821 2.803 2.826 . 0 0 "[ . 1 . ]" 1
803 1 86 ILE H 1 86 ILE MG 4.500 . 6.000 2.294 2.079 2.423 . 0 0 "[ . 1 . ]" 1
804 1 86 ILE HA 1 87 ALA H 4.000 . 5.500 3.495 3.474 3.512 . 0 0 "[ . 1 . ]" 1
805 1 86 ILE HB 1 87 ALA H 4.000 . 5.500 3.917 3.879 3.978 . 0 0 "[ . 1 . ]" 1
806 1 86 ILE MG 1 87 ALA HA 4.500 . 6.000 3.073 3.030 3.142 . 0 0 "[ . 1 . ]" 1
807 1 86 ILE MG 1 87 ALA MB 5.000 . 6.500 3.009 2.901 3.125 . 0 0 "[ . 1 . ]" 1
808 1 86 ILE MG 1 87 ALA H 4.500 . 6.000 2.084 1.923 2.276 . 0 0 "[ . 1 . ]" 1
809 1 86 ILE HA 1 89 ASN H 4.000 . 5.500 3.387 3.281 3.524 . 0 0 "[ . 1 . ]" 1
810 1 86 ILE HA 1 89 ASN HB3 4.000 . 5.500 4.381 4.189 4.546 . 0 0 "[ . 1 . ]" 1
811 1 86 ILE HA 1 89 ASN HB2 4.000 . 5.500 2.983 2.796 3.203 . 0 0 "[ . 1 . ]" 1
812 1 86 ILE HA 1 89 ASN HD22 4.000 . 5.500 3.002 2.699 3.225 . 0 0 "[ . 1 . ]" 1
813 1 86 ILE HA 1 89 ASN HD21 3.000 . 3.300 2.400 2.150 2.576 . 0 0 "[ . 1 . ]" 1
814 1 87 ALA H 1 87 ALA HA 3.000 . 3.300 2.835 2.822 2.849 . 0 0 "[ . 1 . ]" 1
815 1 87 ALA HA 1 88 GLU H 4.000 . 5.500 3.544 3.536 3.558 . 0 0 "[ . 1 . ]" 1
816 1 87 ALA MB 1 88 GLU H 3.500 . 3.800 2.527 2.470 2.663 . 0 0 "[ . 1 . ]" 1
817 1 87 ALA H 1 88 GLU H 3.000 . 3.300 2.636 2.603 2.709 . 0 0 "[ . 1 . ]" 1
818 1 87 ALA HA 1 90 LEU H 4.000 . 5.500 3.561 3.468 3.750 . 0 0 "[ . 1 . ]" 1
819 1 87 ALA HA 1 90 LEU HB3 4.000 . 5.500 3.545 3.329 3.693 . 0 0 "[ . 1 . ]" 1
820 1 87 ALA HA 1 90 LEU HB2 4.000 . 5.500 3.592 3.418 3.817 . 0 0 "[ . 1 . ]" 1
821 1 87 ALA HA 1 90 LEU MD2 5.500 . 7.000 4.057 3.848 4.305 . 0 0 "[ . 1 . ]" 1
822 1 87 ALA MB 1 111 VAL MG2 5.000 . 6.500 3.562 3.242 4.026 . 0 0 "[ . 1 . ]" 1
823 1 88 GLU H 1 88 GLU HA 3.000 . 3.300 2.824 2.817 2.835 . 0 0 "[ . 1 . ]" 1
824 1 88 GLU H 1 89 ASN H 2.800 . 3.000 2.645 2.609 2.736 . 0 0 "[ . 1 . ]" 1
825 1 88 GLU HA 1 91 VAL H 4.000 . 5.500 3.322 3.204 3.385 . 0 0 "[ . 1 . ]" 1
826 1 88 GLU HA 1 91 VAL HB 3.000 . 3.300 2.998 2.762 3.111 . 0 0 "[ . 1 . ]" 1
827 1 88 GLU HA 1 91 VAL MG2 4.500 . 6.000 2.823 2.580 2.980 . 0 0 "[ . 1 . ]" 1
828 1 89 ASN H 1 89 ASN HA 3.000 . 3.300 2.795 2.733 2.805 . 0 0 "[ . 1 . ]" 1
829 1 89 ASN HA 1 89 ASN HB3 3.000 . 3.300 2.488 2.393 2.500 . 0 0 "[ . 1 . ]" 1
830 1 89 ASN H 1 89 ASN HD21 4.000 . 5.500 3.954 3.925 3.976 . 0 0 "[ . 1 . ]" 1
831 1 89 ASN H 1 89 ASN HB2 3.000 . 3.300 2.499 2.465 2.776 . 0 0 "[ . 1 . ]" 1
832 1 89 ASN H 1 90 LEU H 3.000 . 3.300 2.733 2.701 2.921 . 0 0 "[ . 1 . ]" 1
833 1 89 ASN HA 1 90 LEU H 4.000 . 5.500 3.535 3.531 3.550 . 0 0 "[ . 1 . ]" 1
834 1 89 ASN HB3 1 90 LEU H 4.000 . 5.500 3.682 3.656 3.762 . 0 0 "[ . 1 . ]" 1
835 1 89 ASN HB2 1 90 LEU H 3.000 . 3.300 2.665 2.528 2.696 . 0 0 "[ . 1 . ]" 1
836 1 89 ASN HA 1 92 LEU H 4.000 . 5.500 3.442 3.381 3.574 . 0 0 "[ . 1 . ]" 1
837 1 89 ASN HA 1 92 LEU MD1 3.500 . 3.800 2.637 2.403 3.002 . 0 0 "[ . 1 . ]" 1
838 1 89 ASN HA 1 92 LEU HG 4.000 . 5.500 3.125 2.785 3.486 . 0 0 "[ . 1 . ]" 1
839 1 90 LEU HB3 1 90 LEU HG 3.000 . 3.300 2.514 2.429 2.568 . 0 0 "[ . 1 . ]" 1
840 1 90 LEU HA 1 90 LEU MD1 4.500 . 6.000 2.126 2.090 2.180 . 0 0 "[ . 1 . ]" 1
841 1 90 LEU H 1 90 LEU HB2 3.000 . 3.300 2.486 2.456 2.604 . 0 0 "[ . 1 . ]" 1
842 1 90 LEU H 1 90 LEU HB3 3.000 . 3.300 2.580 2.443 2.605 . 0 0 "[ . 1 . ]" 1
843 1 90 LEU H 1 91 VAL H 3.000 . 3.300 2.677 2.633 2.776 . 0 0 "[ . 1 . ]" 1
844 1 90 LEU HB2 1 91 VAL H 4.000 . 5.500 3.861 3.846 3.881 . 0 0 "[ . 1 . ]" 1
845 1 90 LEU H 1 92 LEU H 4.000 . 5.500 4.238 4.206 4.289 . 0 0 "[ . 1 . ]" 1
846 1 90 LEU HA 1 93 THR HB 3.000 . 3.300 3.015 2.904 3.118 . 0 0 "[ . 1 . ]" 1
847 1 90 LEU MD1 1 93 THR HB 4.500 . 6.000 2.969 2.301 3.314 . 0 0 "[ . 1 . ]" 1
848 1 90 LEU HA 1 93 THR MG 5.500 . 7.000 4.104 3.861 4.234 . 0 0 "[ . 1 . ]" 1
849 1 90 LEU MD1 1 93 THR MG 5.000 . 6.500 3.468 3.227 3.591 . 0 0 "[ . 1 . ]" 1
850 1 90 LEU HA 1 94 LEU H 4.000 . 5.500 4.589 4.505 4.693 . 0 0 "[ . 1 . ]" 1
851 1 90 LEU MD1 1 94 LEU HG 4.500 . 6.000 3.758 2.836 4.024 . 0 0 "[ . 1 . ]" 1
852 1 90 LEU HG 1 94 LEU MD1 4.500 . 6.000 3.262 3.036 3.467 . 0 0 "[ . 1 . ]" 1
853 1 90 LEU MD1 1 94 LEU MD1 5.000 . 6.500 3.984 3.033 4.193 . 0 0 "[ . 1 . ]" 1
854 1 90 LEU MD1 1 94 LEU MD2 5.000 . 6.500 3.451 2.422 3.674 . 0 0 "[ . 1 . ]" 1
855 1 90 LEU MD2 1 94 LEU MD1 5.000 . 6.500 3.659 3.401 3.943 . 0 0 "[ . 1 . ]" 1
856 1 91 VAL H 1 91 VAL MG2 3.500 . 3.800 2.193 1.906 2.411 . 0 0 "[ . 1 . ]" 1
857 1 91 VAL H 1 91 VAL HA 3.000 . 3.300 2.825 2.788 2.836 . 0 0 "[ . 1 . ]" 1
858 1 91 VAL H 1 91 VAL HB 2.500 . 2.700 2.435 2.411 2.575 . 0 0 "[ . 1 . ]" 1
859 1 91 VAL HA 1 92 LEU H 4.000 . 5.500 3.551 3.548 3.555 . 0 0 "[ . 1 . ]" 1
860 1 91 VAL H 1 92 LEU H 3.000 . 3.300 2.687 2.656 2.796 . 0 0 "[ . 1 . ]" 1
861 1 91 VAL HB 1 92 LEU HG 4.000 . 5.500 3.270 3.175 3.323 . 0 0 "[ . 1 . ]" 1
862 1 91 VAL HA 1 94 LEU H 4.000 . 5.500 3.594 3.508 3.664 . 0 0 "[ . 1 . ]" 1
863 1 91 VAL HA 1 94 LEU HB2 4.000 . 5.500 3.456 3.321 3.751 . 0 0 "[ . 1 . ]" 1
864 1 91 VAL HA 1 94 LEU MD1 4.500 . 6.000 2.758 2.531 3.128 . 0 0 "[ . 1 . ]" 1
865 1 92 LEU H 1 92 LEU HA 3.000 . 3.300 2.825 2.814 2.845 . 0 0 "[ . 1 . ]" 1
866 1 92 LEU H 1 92 LEU HB3 4.000 . 5.500 3.588 3.578 3.591 . 0 0 "[ . 1 . ]" 1
867 1 92 LEU H 1 92 LEU HB2 3.000 . 3.300 2.560 2.528 2.726 . 0 0 "[ . 1 . ]" 1
868 1 92 LEU H 1 92 LEU HG 3.000 . 3.300 2.000 1.812 2.043 . 0 0 "[ . 1 . ]" 1
869 1 92 LEU MD2 1 93 THR H 4.500 . 6.000 4.539 4.337 4.579 . 0 0 "[ . 1 . ]" 1
870 1 92 LEU H 1 93 THR H 3.000 . 3.300 2.640 2.561 2.676 . 0 0 "[ . 1 . ]" 1
871 1 92 LEU HA 1 95 GLN HB2 3.000 . 3.300 2.883 2.449 3.091 . 0 0 "[ . 1 . ]" 1
872 1 93 THR HA 1 93 THR MG 3.500 . 3.800 2.269 2.224 2.349 . 0 0 "[ . 1 . ]" 1
873 1 93 THR H 1 93 THR HA 3.000 . 3.300 2.807 2.796 2.862 . 0 0 "[ . 1 . ]" 1
874 1 93 THR H 1 93 THR HB 3.000 . 3.300 2.611 2.588 2.688 . 0 0 "[ . 1 . ]" 1
875 1 93 THR H 1 93 THR MG 4.500 . 6.000 3.741 3.739 3.742 . 0 0 "[ . 1 . ]" 1
876 1 93 THR HB 1 94 LEU H 2.500 . 2.700 2.560 2.461 2.607 . 0 0 "[ . 1 . ]" 1
877 1 93 THR MG 1 94 LEU HA 4.500 . 6.000 3.686 3.590 3.828 . 0 0 "[ . 1 . ]" 1
878 1 93 THR MG 1 94 LEU MD2 4.500 . 6.000 3.145 2.937 3.231 . 0 0 "[ . 1 . ]" 1
879 1 93 THR MG 1 94 LEU H 4.500 . 6.000 3.572 3.527 3.648 . 0 0 "[ . 1 . ]" 1
880 1 93 THR H 1 94 LEU H 2.800 . 3.000 2.730 2.595 2.759 . 0 0 "[ . 1 . ]" 1
881 1 93 THR H 1 95 GLN H 4.000 . 5.500 4.095 3.731 4.177 . 0 0 "[ . 1 . ]" 1
882 1 93 THR HA 1 96 GLU H 4.000 . 5.500 3.518 3.447 3.578 . 0 0 "[ . 1 . ]" 1
883 1 93 THR HA 1 96 GLU HB2 4.000 . 5.500 3.267 3.132 3.366 . 0 0 "[ . 1 . ]" 1
884 1 94 LEU H 1 94 LEU HG 3.000 . 3.300 2.008 1.812 2.045 . 0 0 "[ . 1 . ]" 1
885 1 94 LEU H 1 94 LEU HB2 3.000 . 3.300 2.562 2.537 2.723 . 0 0 "[ . 1 . ]" 1
886 1 94 LEU HA 1 94 LEU HB3 3.000 . 3.300 2.442 2.361 2.453 . 0 0 "[ . 1 . ]" 1
887 1 94 LEU HA 1 94 LEU MD2 3.500 . 3.800 2.051 2.038 2.136 . 0 0 "[ . 1 . ]" 1
888 1 94 LEU HB3 1 95 GLN H 4.000 . 5.500 3.833 3.783 4.162 . 0 0 "[ . 1 . ]" 1
889 1 94 LEU HB2 1 95 GLN H 3.000 . 3.300 2.740 2.678 3.050 . 0 0 "[ . 1 . ]" 1
890 1 94 LEU MD1 1 95 GLN H 4.500 . 6.000 4.650 4.586 4.805 . 0 0 "[ . 1 . ]" 1
891 1 94 LEU H 1 95 GLN H 2.800 . 3.000 2.636 2.540 2.689 . 0 0 "[ . 1 . ]" 1
892 1 94 LEU HA 1 97 LEU HB2 3.500 . 3.800 3.028 2.845 3.294 . 0 0 "[ . 1 . ]" 1
893 1 94 LEU HB3 1 99 VAL HB 4.000 . 5.500 2.615 2.358 3.028 . 0 0 "[ . 1 . ]" 1
894 1 94 LEU HA 1 99 VAL MG2 4.500 . 6.000 3.157 2.620 3.639 . 0 0 "[ . 1 . ]" 1
895 1 94 LEU HB3 1 99 VAL MG2 4.500 . 6.000 3.053 2.737 3.313 . 0 0 "[ . 1 . ]" 1
896 1 94 LEU HB2 1 99 VAL MG2 4.500 . 6.000 4.485 4.161 4.708 . 0 0 "[ . 1 . ]" 1
897 1 94 LEU HB2 1 99 VAL MG1 4.500 . 6.000 4.756 4.466 4.926 . 0 0 "[ . 1 . ]" 1
898 1 94 LEU HB3 1 104 ILE MD 4.500 . 6.000 3.042 2.630 3.370 . 0 0 "[ . 1 . ]" 1
899 1 94 LEU HB2 1 104 ILE MD 3.500 . 3.800 2.411 2.250 2.720 . 0 0 "[ . 1 . ]" 1
900 1 94 LEU MD1 1 104 ILE HA 4.500 . 6.000 2.517 2.304 2.972 . 0 0 "[ . 1 . ]" 1
901 1 94 LEU MD1 1 104 ILE HG12 4.500 . 6.000 2.143 2.027 2.472 . 0 0 "[ . 1 . ]" 1
902 1 94 LEU MD1 1 107 VAL MG1 5.000 . 6.500 2.578 2.330 2.877 . 0 0 "[ . 1 . ]" 1
903 1 94 LEU MD2 1 107 VAL MG1 5.000 . 6.500 3.713 3.428 3.954 . 0 0 "[ . 1 . ]" 1
904 1 95 GLN H 1 95 GLN HA 3.000 . 3.300 2.816 2.807 2.868 . 0 0 "[ . 1 . ]" 1
905 1 95 GLN HE22 1 95 GLN HG3 4.000 . 5.500 3.739 3.521 3.964 . 0 0 "[ . 1 . ]" 1
906 1 95 GLN HE22 1 95 GLN HG2 4.000 . 5.500 3.725 3.516 4.098 . 0 0 "[ . 1 . ]" 1
907 1 95 GLN HG3 1 96 GLU H 4.000 . 5.500 4.612 4.298 5.025 . 0 0 "[ . 1 . ]" 1
908 1 95 GLN HG2 1 96 GLU H 4.000 . 5.500 4.740 4.231 5.219 . 0 0 "[ . 1 . ]" 1
909 1 95 GLN HB3 1 96 GLU H 4.000 . 5.500 3.716 3.585 3.827 . 0 0 "[ . 1 . ]" 1
910 1 95 GLN HB2 1 96 GLU H 3.000 . 3.300 2.725 2.664 3.018 . 0 0 "[ . 1 . ]" 1
911 1 95 GLN H 1 96 GLU H 2.800 . 3.000 2.661 2.470 2.696 . 0 0 "[ . 1 . ]" 1
912 1 95 GLN H 1 97 LEU H 4.000 . 5.500 4.082 4.038 4.116 . 0 0 "[ . 1 . ]" 1
913 1 95 GLN HA 1 97 LEU H 4.000 . 5.500 4.091 4.043 4.174 . 0 0 "[ . 1 . ]" 1
914 1 95 GLN HA 1 98 ASN H 4.000 . 5.500 3.531 3.431 3.784 . 0 0 "[ . 1 . ]" 1
915 1 95 GLN HA 1 104 ILE MD 4.500 . 6.000 3.419 2.882 3.789 . 0 0 "[ . 1 . ]" 1
916 1 95 GLN HG3 1 104 ILE MD 4.500 . 6.000 3.315 2.459 4.348 . 0 0 "[ . 1 . ]" 1
917 1 95 GLN HG2 1 104 ILE MD 4.500 . 6.000 3.035 2.736 4.225 . 0 0 "[ . 1 . ]" 1
918 1 95 GLN H 1 104 ILE MD 4.500 . 6.000 3.562 3.272 3.953 . 0 0 "[ . 1 . ]" 1
919 1 96 GLU H 1 96 GLU HA 3.000 . 3.300 2.832 2.823 2.878 . 0 0 "[ . 1 . ]" 1
920 1 96 GLU H 1 96 GLU HB3 4.000 . 5.500 3.585 3.581 3.589 . 0 0 "[ . 1 . ]" 1
921 1 96 GLU H 1 96 GLU HB2 3.000 . 3.300 2.446 2.351 2.462 . 0 0 "[ . 1 . ]" 1
922 1 96 GLU H 1 96 GLU HG3 3.000 . 3.300 2.203 2.160 2.480 . 0 0 "[ . 1 . ]" 1
923 1 96 GLU H 1 96 GLU HG2 4.000 . 5.500 3.393 3.347 3.795 . 0 0 "[ . 1 . ]" 1
924 1 96 GLU HA 1 96 GLU HB2 3.000 . 3.300 3.027 3.022 3.029 . 0 0 "[ . 1 . ]" 1
925 1 96 GLU HA 1 96 GLU HB3 2.500 . 2.700 2.496 2.491 2.535 . 0 0 "[ . 1 . ]" 1
926 1 96 GLU HA 1 96 GLU HG2 2.500 . 2.700 2.424 2.400 2.533 . 0 0 "[ . 1 . ]" 1
927 1 96 GLU HA 1 96 GLU HG3 3.000 . 3.300 3.002 2.746 3.028 . 0 0 "[ . 1 . ]" 1
928 1 96 GLU HB3 1 97 LEU H 4.000 . 5.500 3.799 3.741 3.818 . 0 0 "[ . 1 . ]" 1
929 1 96 GLU HB2 1 97 LEU H 3.000 . 3.300 2.829 2.799 2.865 . 0 0 "[ . 1 . ]" 1
930 1 96 GLU H 1 97 LEU H 2.800 . 3.000 2.588 2.438 2.618 . 0 0 "[ . 1 . ]" 1
931 1 97 LEU HA 1 97 LEU MD2 3.500 . 5.000 2.057 2.044 2.156 . 0 0 "[ . 1 . ]" 1
932 1 97 LEU H 1 97 LEU HG 3.000 . 3.300 2.162 1.909 2.214 . 0 0 "[ . 1 . ]" 1
933 1 97 LEU HA 1 97 LEU HG 4.000 . 5.500 3.148 3.057 3.249 . 0 0 "[ . 1 . ]" 1
934 1 97 LEU HA 1 98 ASN H 4.000 . 5.500 3.275 3.235 3.312 . 0 0 "[ . 1 . ]" 1
935 1 97 LEU H 1 98 ASN H 2.800 . 3.000 2.529 2.481 2.600 . 0 0 "[ . 1 . ]" 1
936 1 98 ASN HB3 1 98 ASN HD22 4.000 . 5.500 3.628 3.508 3.690 . 0 0 "[ . 1 . ]" 1
937 1 98 ASN HB3 1 98 ASN HD21 3.000 . 3.300 2.553 2.247 2.701 . 0 0 "[ . 1 . ]" 1
938 1 98 ASN H 1 98 ASN HA 2.500 . 2.700 2.297 2.294 2.299 . 0 0 "[ . 1 . ]" 1
939 1 98 ASN H 1 98 ASN HB2 4.000 . 5.500 3.093 3.074 3.104 . 0 0 "[ . 1 . ]" 1
940 1 98 ASN H 1 98 ASN HB3 4.000 . 5.500 3.725 3.701 3.736 . 0 0 "[ . 1 . ]" 1
941 1 98 ASN HA 1 99 VAL H 3.000 . 3.300 2.681 2.625 2.696 . 0 0 "[ . 1 . ]" 1
942 1 98 ASN HB3 1 99 VAL H 4.000 . 5.500 4.301 4.287 4.349 . 0 0 "[ . 1 . ]" 1
943 1 98 ASN H 1 99 VAL H 3.000 . 3.300 2.774 2.737 2.853 . 0 0 "[ . 1 . ]" 1
944 1 99 VAL HA 1 99 VAL MG2 3.500 . 3.800 2.422 2.364 2.444 . 0 0 "[ . 1 . ]" 1
945 1 99 VAL HA 1 99 VAL MG1 3.500 . 3.800 2.324 2.259 2.364 . 0 0 "[ . 1 . ]" 1
946 1 99 VAL H 1 99 VAL HB 2.500 . 2.700 2.534 2.476 2.553 . 0 0 "[ . 1 . ]" 1
947 1 99 VAL HA 1 100 SER H 3.000 . 3.300 2.199 2.164 2.206 . 0 0 "[ . 1 . ]" 1
948 1 99 VAL HB 1 100 SER H 4.000 . 5.500 4.038 3.994 4.203 . 0 0 "[ . 1 . ]" 1
949 1 99 VAL MG1 1 100 SER H 3.500 . 3.800 2.294 2.051 2.530 . 0 0 "[ . 1 . ]" 1
950 1 99 VAL MG1 1 100 SER HB3 5.500 . 7.000 3.430 3.360 3.493 . 0 0 "[ . 1 . ]" 1
951 1 99 VAL H 1 100 SER H 4.000 . 5.500 4.515 4.446 4.542 . 0 0 "[ . 1 . ]" 1
952 1 99 VAL MG1 1 103 LEU HB3 3.500 . 3.800 3.052 2.826 3.272 . 0 0 "[ . 1 . ]" 1
953 1 99 VAL MG1 1 103 LEU HB2 3.500 . 3.800 2.162 2.060 2.264 . 0 0 "[ . 1 . ]" 1
954 1 99 VAL MG1 1 104 ILE HG13 4.500 . 6.000 2.876 2.295 3.494 . 0 0 "[ . 1 . ]" 1
955 1 99 VAL MG1 1 104 ILE HG12 4.500 . 6.000 3.462 3.120 4.183 . 0 0 "[ . 1 . ]" 1
956 1 99 VAL HB 1 104 ILE MD 4.500 . 6.000 3.330 2.562 3.867 . 0 0 "[ . 1 . ]" 1
957 1 99 VAL H 1 104 ILE MD 4.500 . 6.000 4.150 3.431 4.542 . 0 0 "[ . 1 . ]" 1
958 1 100 SER H 1 100 SER HA 3.000 . 3.300 2.781 2.737 2.805 . 0 0 "[ . 1 . ]" 1
959 1 100 SER H 1 100 SER HB3 4.000 . 5.500 2.588 2.360 2.654 . 0 0 "[ . 1 . ]" 1
960 1 100 SER H 1 100 SER HB2 3.000 . 3.300 2.484 2.415 2.750 . 0 0 "[ . 1 . ]" 1
961 1 100 SER HA 1 100 SER HB2 3.000 . 3.300 2.470 2.340 2.506 . 0 0 "[ . 1 . ]" 1
962 1 100 SER HA 1 101 GLN H 2.500 . 2.700 2.211 2.191 2.368 . 0 0 "[ . 1 . ]" 1
963 1 100 SER HB2 1 101 GLN H 4.000 . 5.500 4.068 3.608 4.150 . 0 0 "[ . 1 . ]" 1
964 1 100 SER HB3 1 101 GLN H 5.000 . 6.500 3.973 3.879 4.013 . 0 0 "[ . 1 . ]" 1
965 1 100 SER HB3 1 103 LEU H 5.000 . 6.500 2.849 2.721 3.322 . 0 0 "[ . 1 . ]" 1
966 1 100 SER HB2 1 103 LEU H 5.000 . 6.500 4.515 4.438 4.666 . 0 0 "[ . 1 . ]" 1
967 1 100 SER HB3 1 103 LEU HG 4.000 . 5.500 2.289 2.280 2.347 . 0 0 "[ . 1 . ]" 1
968 1 100 SER HB3 1 103 LEU MD1 4.500 . 6.000 2.603 2.348 2.725 . 0 0 "[ . 1 . ]" 1
969 1 101 GLN HA 1 101 GLN HE21 4.000 . 5.500 2.785 1.789 3.578 0.011 13 0 "[ . 1 . ]" 1
970 1 101 GLN H 1 101 GLN HA 3.000 . 3.300 2.805 2.793 2.880 . 0 0 "[ . 1 . ]" 1
971 1 101 GLN HA 1 101 GLN HB2 3.000 . 3.300 2.511 2.504 2.540 . 0 0 "[ . 1 . ]" 1
972 1 101 GLN HA 1 102 ASP H 4.000 . 5.500 3.535 3.527 3.557 . 0 0 "[ . 1 . ]" 1
973 1 101 GLN HB3 1 102 ASP H 4.000 . 5.500 2.692 2.472 2.737 . 0 0 "[ . 1 . ]" 1
974 1 101 GLN HB2 1 102 ASP H 5.000 . 6.500 3.875 3.710 3.909 . 0 0 "[ . 1 . ]" 1
975 1 101 GLN H 1 102 ASP H 3.000 . 3.300 2.713 2.523 2.748 . 0 0 "[ . 1 . ]" 1
976 1 101 GLN HA 1 104 ILE HB 2.500 . 2.700 2.594 2.347 2.728 0.028 11 0 "[ . 1 . ]" 1
977 1 101 GLN HA 1 104 ILE MD 4.500 . 6.000 2.167 2.057 2.313 . 0 0 "[ . 1 . ]" 1
978 1 101 GLN HA 1 104 ILE H 4.000 . 5.500 3.211 3.061 3.285 . 0 0 "[ . 1 . ]" 1
979 1 101 GLN HB3 1 104 ILE MD 5.500 . 7.000 4.611 4.430 4.962 . 0 0 "[ . 1 . ]" 1
980 1 101 GLN HE21 1 104 ILE HB 5.000 . 6.500 2.864 2.093 4.106 . 0 0 "[ . 1 . ]" 1
981 1 101 GLN HE21 1 104 ILE MG 5.500 . 7.000 3.170 2.434 4.557 . 0 0 "[ . 1 . ]" 1
982 1 101 GLN HE22 1 104 ILE HB 5.000 . 6.500 3.389 2.971 4.106 . 0 0 "[ . 1 . ]" 1
983 1 101 GLN HE22 1 104 ILE MG 4.500 . 6.000 2.934 2.421 3.881 . 0 0 "[ . 1 . ]" 1
984 1 101 GLN HA 1 105 ASP H 4.000 . 5.500 4.248 4.032 4.411 . 0 0 "[ . 1 . ]" 1
985 1 101 GLN HE21 1 105 ASP H 5.000 . 6.500 4.450 3.545 6.137 . 0 0 "[ . 1 . ]" 1
986 1 101 GLN HE22 1 105 ASP H 5.000 . 6.500 5.570 5.025 6.506 0.006 11 0 "[ . 1 . ]" 1
987 1 102 ASP H 1 102 ASP HB3 4.000 . 5.500 3.588 3.586 3.596 . 0 0 "[ . 1 . ]" 1
988 1 102 ASP H 1 102 ASP HB2 3.000 . 3.300 2.476 2.451 2.640 . 0 0 "[ . 1 . ]" 1
989 1 102 ASP HB3 1 103 LEU H 4.000 . 5.500 3.567 3.531 3.692 . 0 0 "[ . 1 . ]" 1
990 1 102 ASP HB2 1 103 LEU H 4.000 . 5.500 2.594 2.554 2.629 . 0 0 "[ . 1 . ]" 1
991 1 102 ASP H 1 103 LEU H 2.800 . 3.000 2.807 2.782 2.902 . 0 0 "[ . 1 . ]" 1
992 1 103 LEU H 1 103 LEU HB3 4.000 . 5.500 3.597 3.594 3.599 . 0 0 "[ . 1 . ]" 1
993 1 103 LEU H 1 103 LEU HB2 3.000 . 3.300 2.527 2.501 2.670 . 0 0 "[ . 1 . ]" 1
994 1 103 LEU HA 1 103 LEU HG 4.000 . 5.500 3.089 3.054 3.239 . 0 0 "[ . 1 . ]" 1
995 1 103 LEU H 1 103 LEU HG 3.000 . 3.300 2.076 1.861 2.119 . 0 0 "[ . 1 . ]" 1
996 1 103 LEU HB3 1 104 ILE H 4.000 . 5.500 3.775 3.738 3.901 . 0 0 "[ . 1 . ]" 1
997 1 103 LEU HB2 1 104 ILE H 3.000 . 3.300 2.681 2.646 2.708 . 0 0 "[ . 1 . ]" 1
998 1 103 LEU H 1 104 ILE H 2.800 . 3.000 2.572 2.519 2.590 . 0 0 "[ . 1 . ]" 1
999 1 104 ILE HA 1 104 ILE HG12 4.000 . 5.500 2.529 2.512 2.552 . 0 0 "[ . 1 . ]" 1
1000 1 104 ILE HA 1 104 ILE HG13 4.000 . 5.500 2.961 2.834 2.988 . 0 0 "[ . 1 . ]" 1
1001 1 104 ILE H 1 104 ILE HB 3.000 . 3.300 2.511 2.425 2.530 . 0 0 "[ . 1 . ]" 1
1002 1 104 ILE H 1 104 ILE HG13 3.000 . 3.300 2.043 1.993 2.275 . 0 0 "[ . 1 . ]" 1
1003 1 104 ILE H 1 104 ILE HG12 4.000 . 5.500 3.361 3.313 3.627 . 0 0 "[ . 1 . ]" 1
1004 1 104 ILE HA 1 105 ASP H 4.000 . 5.500 3.533 3.449 3.544 . 0 0 "[ . 1 . ]" 1
1005 1 104 ILE HB 1 105 ASP H 3.000 . 3.300 2.664 2.596 3.070 . 0 0 "[ . 1 . ]" 1
1006 1 104 ILE MG 1 105 ASP H 4.500 . 6.000 3.550 3.456 3.718 . 0 0 "[ . 1 . ]" 1
1007 1 104 ILE H 1 105 ASP H 3.000 . 3.300 2.665 2.486 2.702 . 0 0 "[ . 1 . ]" 1
1008 1 104 ILE HA 1 107 VAL HB 3.000 . 3.300 2.847 2.561 2.984 . 0 0 "[ . 1 . ]" 1
1009 1 104 ILE HA 1 107 VAL MG1 5.500 . 7.000 4.170 3.965 4.336 . 0 0 "[ . 1 . ]" 1
1010 1 104 ILE HA 1 107 VAL MG2 4.500 . 6.000 2.708 2.334 3.028 . 0 0 "[ . 1 . ]" 1
1011 1 104 ILE HA 1 107 VAL H 4.000 . 5.500 3.336 3.263 3.402 . 0 0 "[ . 1 . ]" 1
1012 1 105 ASP H 1 105 ASP HA 3.000 . 3.300 2.804 2.798 2.852 . 0 0 "[ . 1 . ]" 1
1013 1 105 ASP H 1 105 ASP HB3 4.000 . 5.500 3.584 3.580 3.586 . 0 0 "[ . 1 . ]" 1
1014 1 105 ASP H 1 105 ASP HB2 3.000 . 3.300 2.444 2.385 2.452 . 0 0 "[ . 1 . ]" 1
1015 1 105 ASP HB2 1 106 GLU H 3.000 . 3.300 2.649 2.572 2.684 . 0 0 "[ . 1 . ]" 1
1016 1 105 ASP H 1 106 GLU H 2.800 . 3.000 2.717 2.596 2.747 . 0 0 "[ . 1 . ]" 1
1017 1 106 GLU H 1 107 VAL H 3.000 . 3.300 2.632 2.587 2.682 . 0 0 "[ . 1 . ]" 1
1018 1 106 GLU HA 1 109 THR HB 5.000 . 6.500 3.261 3.087 3.350 . 0 0 "[ . 1 . ]" 1
1019 1 107 VAL HA 1 107 VAL MG1 3.500 . 3.800 2.346 2.334 2.369 . 0 0 "[ . 1 . ]" 1
1020 1 107 VAL H 1 107 VAL MG1 4.500 . 6.000 3.736 3.733 3.745 . 0 0 "[ . 1 . ]" 1
1021 1 107 VAL HA 1 107 VAL MG2 3.500 . 3.800 2.324 2.227 2.360 . 0 0 "[ . 1 . ]" 1
1022 1 107 VAL H 1 107 VAL HA 3.000 . 3.300 2.828 2.789 2.840 . 0 0 "[ . 1 . ]" 1
1023 1 107 VAL H 1 107 VAL MG2 3.500 . 3.800 2.227 2.007 2.416 . 0 0 "[ . 1 . ]" 1
1024 1 107 VAL HB 1 108 VAL H 2.500 . 2.700 2.642 2.476 2.664 . 0 0 "[ . 1 . ]" 1
1025 1 107 VAL MG1 1 108 VAL H 4.500 . 6.000 3.385 3.289 3.422 . 0 0 "[ . 1 . ]" 1
1026 1 107 VAL MG1 1 108 VAL HA 4.500 . 6.000 3.429 3.368 3.499 . 0 0 "[ . 1 . ]" 1
1027 1 107 VAL MG2 1 108 VAL H 5.500 . 7.000 3.913 3.815 3.936 . 0 0 "[ . 1 . ]" 1
1028 1 107 VAL H 1 108 VAL H 3.000 . 3.300 2.644 2.601 2.809 . 0 0 "[ . 1 . ]" 1
1029 1 107 VAL HA 1 110 ILE HB 3.000 . 3.300 3.152 2.895 3.314 0.014 11 0 "[ . 1 . ]" 1
1030 1 107 VAL HA 1 110 ILE MD 3.500 . 3.800 2.330 2.237 2.727 . 0 0 "[ . 1 . ]" 1
1031 1 107 VAL HA 1 110 ILE H 4.000 . 5.500 3.489 3.443 3.551 . 0 0 "[ . 1 . ]" 1
1032 1 108 VAL HA 1 108 VAL MG1 3.500 . 3.800 2.359 2.334 2.380 . 0 0 "[ . 1 . ]" 1
1033 1 108 VAL HA 1 108 VAL MG2 3.500 . 3.800 2.312 2.225 2.356 . 0 0 "[ . 1 . ]" 1
1034 1 108 VAL H 1 108 VAL HB 2.500 . 2.700 2.432 2.419 2.520 . 0 0 "[ . 1 . ]" 1
1035 1 108 VAL H 1 108 VAL HA 3.000 . 3.300 2.808 2.786 2.819 . 0 0 "[ . 1 . ]" 1
1036 1 108 VAL HA 1 109 THR H 4.000 . 5.500 3.544 3.532 3.552 . 0 0 "[ . 1 . ]" 1
1037 1 108 VAL HB 1 109 THR H 3.000 . 3.300 2.631 2.596 2.680 . 0 0 "[ . 1 . ]" 1
1038 1 108 VAL MG1 1 109 THR H 4.500 . 6.000 3.340 3.294 3.476 . 0 0 "[ . 1 . ]" 1
1039 1 108 VAL MG2 1 109 THR H 4.500 . 6.000 3.923 3.876 3.940 . 0 0 "[ . 1 . ]" 1
1040 1 108 VAL H 1 109 THR H 3.000 . 3.300 2.713 2.672 2.751 . 0 0 "[ . 1 . ]" 1
1041 1 108 VAL HA 1 111 VAL MG1 4.500 . 6.000 3.991 3.886 4.208 . 0 0 "[ . 1 . ]" 1
1042 1 108 VAL HA 1 111 VAL MG2 4.500 . 6.000 2.161 2.122 2.188 . 0 0 "[ . 1 . ]" 1
1043 1 108 VAL HA 1 111 VAL H 4.000 . 5.500 3.640 3.577 3.812 . 0 0 "[ . 1 . ]" 1
1044 1 109 THR H 1 109 THR MG 4.500 . 6.000 3.740 3.724 3.744 . 0 0 "[ . 1 . ]" 1
1045 1 109 THR H 1 109 THR HB 2.500 . 2.700 2.602 2.579 2.698 . 0 0 "[ . 1 . ]" 1
1046 1 109 THR HA 1 110 ILE H 4.000 . 5.500 3.551 3.543 3.572 . 0 0 "[ . 1 . ]" 1
1047 1 109 THR HB 1 110 ILE H 3.500 . 3.800 2.565 2.271 2.633 . 0 0 "[ . 1 . ]" 1
1048 1 109 THR MG 1 110 ILE HA 4.500 . 6.000 3.661 3.559 3.780 . 0 0 "[ . 1 . ]" 1
1049 1 109 THR MG 1 110 ILE H 4.500 . 6.000 3.558 3.451 3.609 . 0 0 "[ . 1 . ]" 1
1050 1 110 ILE HA 1 110 ILE MG 3.500 . 3.800 2.302 2.249 2.357 . 0 0 "[ . 1 . ]" 1
1051 1 110 ILE HB 1 110 ILE MD 3.500 . 3.800 2.268 2.223 2.376 . 0 0 "[ . 1 . ]" 1
1052 1 110 ILE HG12 1 110 ILE MG 3.500 . 3.800 2.336 2.308 2.367 . 0 0 "[ . 1 . ]" 1
1053 1 110 ILE H 1 110 ILE MG 4.500 . 6.000 3.746 3.740 3.751 . 0 0 "[ . 1 . ]" 1
1054 1 110 ILE H 1 110 ILE HA 3.000 . 3.300 2.801 2.750 2.818 . 0 0 "[ . 1 . ]" 1
1055 1 110 ILE H 1 110 ILE HB 3.000 . 3.300 2.525 2.461 2.563 . 0 0 "[ . 1 . ]" 1
1056 1 110 ILE HB 1 111 VAL H 2.500 . 2.700 2.371 2.213 2.427 . 0 0 "[ . 1 . ]" 1
1057 1 110 ILE MG 1 111 VAL H 4.500 . 6.000 3.257 3.010 3.341 . 0 0 "[ . 1 . ]" 1
1058 1 110 ILE H 1 111 VAL MG2 4.500 . 6.000 3.908 3.858 3.978 . 0 0 "[ . 1 . ]" 1
1059 1 110 ILE H 1 111 VAL H 3.000 . 3.300 2.832 2.797 3.038 . 0 0 "[ . 1 . ]" 1
1060 1 110 ILE H 1 112 GLY H 4.000 . 5.500 3.705 3.671 3.825 . 0 0 "[ . 1 . ]" 1
1061 1 111 VAL H 1 111 VAL HA 3.000 . 3.300 2.893 2.868 2.905 . 0 0 "[ . 1 . ]" 1
1062 1 111 VAL HA 1 111 VAL MG2 3.500 . 3.800 3.188 3.177 3.193 . 0 0 "[ . 1 . ]" 1
1063 1 111 VAL H 1 111 VAL MG2 3.500 . 3.800 1.908 1.797 2.097 0.003 1 0 "[ . 1 . ]" 1
1064 1 111 VAL H 1 111 VAL HB 4.000 . 5.500 3.620 3.597 3.629 . 0 0 "[ . 1 . ]" 1
1065 1 111 VAL H 1 111 VAL MG1 3.500 . 3.800 2.178 2.067 2.328 . 0 0 "[ . 1 . ]" 1
1066 1 111 VAL HA 1 112 GLY H 4.000 . 5.500 3.437 3.379 3.481 . 0 0 "[ . 1 . ]" 1
1067 1 111 VAL HB 1 112 GLY H 4.000 . 5.500 4.064 3.928 4.140 . 0 0 "[ . 1 . ]" 1
1068 1 111 VAL MG2 1 112 GLY H 4.500 . 6.000 2.317 2.005 2.627 . 0 0 "[ . 1 . ]" 1
1069 1 111 VAL H 1 112 GLY HA2 4.000 . 5.500 4.986 4.892 5.062 . 0 0 "[ . 1 . ]" 1
1070 1 111 VAL H 1 112 GLY H 2.800 . 3.000 2.369 2.324 2.509 . 0 0 "[ . 1 . ]" 1
1071 1 111 VAL HA 1 113 SER H 4.000 . 5.500 3.495 3.092 4.330 . 0 0 "[ . 1 . ]" 1
1072 1 111 VAL HA 1 116 HIS HD2 4.000 . 5.500 3.925 3.238 4.526 . 0 0 "[ . 1 . ]" 1
1073 1 112 GLY H 1 112 GLY HA3 3.000 . 3.300 2.314 2.298 2.345 . 0 0 "[ . 1 . ]" 1
1074 1 112 GLY H 1 112 GLY HA2 3.000 . 3.300 2.860 2.779 2.916 . 0 0 "[ . 1 . ]" 1
1075 1 112 GLY HA3 1 113 SER H 4.000 . 5.500 3.384 3.005 3.579 . 0 0 "[ . 1 . ]" 1
1076 1 112 GLY HA2 1 113 SER H 4.000 . 5.500 3.043 2.386 3.485 . 0 0 "[ . 1 . ]" 1
1077 1 112 GLY H 1 113 SER H 4.000 . 5.500 3.017 2.654 3.930 . 0 0 "[ . 1 . ]" 1
1078 1 113 SER H 1 113 SER HB3 4.000 . 5.500 3.636 3.589 3.769 . 0 0 "[ . 1 . ]" 1
1079 1 113 SER H 1 113 SER HB2 3.000 . 3.300 2.572 2.524 2.628 . 0 0 "[ . 1 . ]" 1
1080 1 113 SER H 1 113 SER HA 3.000 . 3.300 2.832 2.700 2.960 . 0 0 "[ . 1 . ]" 1
1081 1 113 SER HA 1 114 VAL H 2.500 . 2.700 2.189 2.132 2.233 . 0 0 "[ . 1 . ]" 1
1082 1 113 SER HA 1 114 VAL MG2 4.500 . 6.000 3.677 3.549 3.810 . 0 0 "[ . 1 . ]" 1
1083 1 113 SER HB3 1 114 VAL H 4.000 . 5.500 3.141 2.927 3.629 . 0 0 "[ . 1 . ]" 1
1084 1 113 SER H 1 114 VAL H 4.000 . 5.500 4.540 4.399 4.629 . 0 0 "[ . 1 . ]" 1
1085 1 113 SER HB3 1 115 GLN H 4.000 . 5.500 3.110 2.901 3.312 . 0 0 "[ . 1 . ]" 1
1086 1 114 VAL HA 1 114 VAL MG2 3.500 . 3.800 2.319 2.275 2.352 . 0 0 "[ . 1 . ]" 1
1087 1 114 VAL HA 1 114 VAL MG1 3.500 . 3.800 2.342 2.308 2.372 . 0 0 "[ . 1 . ]" 1
1088 1 114 VAL H 1 114 VAL MG1 4.500 . 6.000 3.735 3.732 3.753 . 0 0 "[ . 1 . ]" 1
1089 1 114 VAL H 1 114 VAL HA 3.000 . 3.300 2.845 2.825 2.877 . 0 0 "[ . 1 . ]" 1
1090 1 114 VAL H 1 114 VAL HB 3.000 . 3.300 2.417 2.407 2.472 . 0 0 "[ . 1 . ]" 1
1091 1 114 VAL H 1 114 VAL MG2 3.500 . 5.000 2.248 2.180 2.361 . 0 0 "[ . 1 . ]" 1
1092 1 114 VAL HA 1 115 GLN H 4.000 . 5.500 3.540 3.500 3.551 . 0 0 "[ . 1 . ]" 1
1093 1 114 VAL HB 1 115 GLN H 4.000 . 5.500 2.659 2.607 2.841 . 0 0 "[ . 1 . ]" 1
1094 1 114 VAL MG1 1 115 GLN H 4.500 . 6.000 3.400 3.334 3.650 . 0 0 "[ . 1 . ]" 1
1095 1 114 VAL MG1 1 115 GLN HA 4.500 . 6.000 3.436 3.333 3.609 . 0 0 "[ . 1 . ]" 1
1096 1 114 VAL MG2 1 115 GLN H 4.500 . 6.000 3.919 3.895 3.971 . 0 0 "[ . 1 . ]" 1
1097 1 114 VAL H 1 115 GLN HA 4.000 . 5.500 5.216 5.081 5.285 . 0 0 "[ . 1 . ]" 1
1098 1 114 VAL H 1 115 GLN H 2.800 . 3.000 2.604 2.440 2.679 . 0 0 "[ . 1 . ]" 1
1099 1 114 VAL HA 1 117 ARG HB3 3.000 . 3.300 2.822 2.591 2.967 . 0 0 "[ . 1 . ]" 1
1100 1 114 VAL HA 1 117 ARG HB2 4.000 . 5.500 3.470 3.202 3.661 . 0 0 "[ . 1 . ]" 1
1101 1 114 VAL MG1 1 118 ASN HD21 4.500 . 6.000 2.879 2.408 3.578 . 0 0 "[ . 1 . ]" 1
1102 1 114 VAL MG1 1 118 ASN HD22 3.500 . 3.800 1.941 1.649 2.473 0.151 7 0 "[ . 1 . ]" 1
1103 1 115 GLN H 1 115 GLN HA 3.000 . 3.300 2.796 2.759 2.835 . 0 0 "[ . 1 . ]" 1
1104 1 115 GLN H 1 115 GLN HB3 3.000 . 3.300 2.643 2.583 2.694 . 0 0 "[ . 1 . ]" 1
1105 1 115 GLN H 1 115 GLN HB2 3.000 . 3.300 2.427 2.389 2.494 . 0 0 "[ . 1 . ]" 1
1106 1 115 GLN HA 1 116 HIS H 4.000 . 5.500 3.561 3.553 3.574 . 0 0 "[ . 1 . ]" 1
1107 1 115 GLN HB3 1 116 HIS H 3.000 . 3.300 2.499 2.120 2.577 . 0 0 "[ . 1 . ]" 1
1108 1 115 GLN HA 1 118 ASN H 4.000 . 5.500 3.570 3.330 3.693 . 0 0 "[ . 1 . ]" 1
1109 1 115 GLN HA 1 118 ASN HB2 3.000 . 3.300 2.825 2.548 3.021 . 0 0 "[ . 1 . ]" 1
1110 1 115 GLN HA 1 118 ASN HD21 4.000 . 5.500 2.799 2.496 3.155 . 0 0 "[ . 1 . ]" 1
1111 1 116 HIS H 1 116 HIS HA 3.000 . 3.300 2.824 2.744 2.842 . 0 0 "[ . 1 . ]" 1
1112 1 116 HIS HB3 1 117 ARG H 4.000 . 5.500 2.499 2.441 2.590 . 0 0 "[ . 1 . ]" 1
1113 1 116 HIS H 1 118 ASN H 4.000 . 5.500 4.141 4.085 4.322 . 0 0 "[ . 1 . ]" 1
1114 1 116 HIS HA 1 119 ASP H 4.000 . 5.500 3.434 3.344 3.555 . 0 0 "[ . 1 . ]" 1
1115 1 116 HIS HA 1 119 ASP HB2 4.000 . 5.500 2.936 2.678 3.230 . 0 0 "[ . 1 . ]" 1
1116 1 116 HIS HA 1 119 ASP HB3 4.000 . 5.500 4.392 4.176 4.661 . 0 0 "[ . 1 . ]" 1
1117 1 116 HIS HA 1 120 VAL H 4.000 . 5.500 4.685 4.288 4.946 . 0 0 "[ . 1 . ]" 1
1118 1 117 ARG HA 1 117 ARG HG3 3.000 . 3.300 2.485 2.444 2.501 . 0 0 "[ . 1 . ]" 1
1119 1 117 ARG HA 1 117 ARG HG2 4.000 . 5.500 2.974 2.917 2.988 . 0 0 "[ . 1 . ]" 1
1120 1 117 ARG HB3 1 117 ARG HD3 4.000 . 5.500 2.503 2.370 2.527 . 0 0 "[ . 1 . ]" 1
1121 1 117 ARG HB2 1 117 ARG HD2 4.000 . 5.500 2.486 2.460 2.646 . 0 0 "[ . 1 . ]" 1
1122 1 117 ARG HA 1 118 ASN H 4.000 . 5.500 3.546 3.536 3.552 . 0 0 "[ . 1 . ]" 1
1123 1 117 ARG HB3 1 118 ASN H 4.000 . 5.500 2.551 2.512 2.620 . 0 0 "[ . 1 . ]" 1
1124 1 117 ARG HB2 1 118 ASN H 4.000 . 5.500 3.828 3.769 3.875 . 0 0 "[ . 1 . ]" 1
1125 1 117 ARG H 1 118 ASN H 3.000 . 3.300 2.715 2.618 2.758 . 0 0 "[ . 1 . ]" 1
1126 1 117 ARG HA 1 120 VAL H 4.000 . 5.500 3.510 3.432 3.604 . 0 0 "[ . 1 . ]" 1
1127 1 117 ARG HD3 1 121 LEU MD1 4.500 . 6.000 4.215 3.370 4.559 . 0 0 "[ . 1 . ]" 1
1128 1 117 ARG HG3 1 121 LEU MD1 4.500 . 6.000 4.194 2.687 4.618 . 0 0 "[ . 1 . ]" 1
1129 1 117 ARG HG2 1 121 LEU MD1 4.500 . 6.000 3.056 2.150 3.378 . 0 0 "[ . 1 . ]" 1
1130 1 118 ASN H 1 118 ASN HD21 4.000 . 5.500 3.975 3.938 4.154 . 0 0 "[ . 1 . ]" 1
1131 1 118 ASN H 1 118 ASN HD22 4.000 . 5.500 4.203 4.156 4.361 . 0 0 "[ . 1 . ]" 1
1132 1 118 ASN HB2 1 118 ASN HD21 3.000 . 3.300 2.476 2.457 2.556 . 0 0 "[ . 1 . ]" 1
1133 1 118 ASN HA 1 118 ASN HB3 3.000 . 3.300 2.493 2.487 2.515 . 0 0 "[ . 1 . ]" 1
1134 1 118 ASN H 1 118 ASN HB3 4.000 . 5.500 3.584 3.580 3.587 . 0 0 "[ . 1 . ]" 1
1135 1 118 ASN H 1 118 ASN HB2 3.000 . 3.300 2.461 2.419 2.478 . 0 0 "[ . 1 . ]" 1
1136 1 118 ASN HA 1 119 ASP H 4.000 . 5.500 3.527 3.483 3.539 . 0 0 "[ . 1 . ]" 1
1137 1 118 ASN HB3 1 119 ASP H 5.000 . 6.500 3.709 3.651 3.839 . 0 0 "[ . 1 . ]" 1
1138 1 118 ASN HB2 1 119 ASP H 4.000 . 5.500 2.716 2.640 2.937 . 0 0 "[ . 1 . ]" 1
1139 1 118 ASN HA 1 123 ARG H 4.000 . 5.500 4.137 2.833 5.173 . 0 0 "[ . 1 . ]" 1
1140 1 118 ASN HA 1 123 ARG HB2 4.000 . 5.500 4.475 3.203 5.561 0.061 8 0 "[ . 1 . ]" 1
1141 1 118 ASN HB3 1 123 ARG H 6.000 . 7.500 3.888 3.244 4.504 . 0 0 "[ . 1 . ]" 1
1142 1 119 ASP H 1 119 ASP HA 3.000 . 3.300 2.810 2.799 2.846 . 0 0 "[ . 1 . ]" 1
1143 1 119 ASP H 1 119 ASP HB2 3.000 . 3.300 2.456 2.430 2.586 . 0 0 "[ . 1 . ]" 1
1144 1 119 ASP HA 1 120 VAL H 4.000 . 5.500 3.537 3.523 3.554 . 0 0 "[ . 1 . ]" 1
1145 1 119 ASP HB2 1 120 VAL H 3.000 . 3.300 2.686 2.577 2.740 . 0 0 "[ . 1 . ]" 1
1146 1 119 ASP H 1 120 VAL H 2.800 . 3.000 2.699 2.580 2.740 . 0 0 "[ . 1 . ]" 1
1147 1 119 ASP HA 1 122 ASN HA 4.000 . 5.500 3.349 3.093 3.675 . 0 0 "[ . 1 . ]" 1
1148 1 119 ASP HA 1 122 ASN H 4.000 . 5.500 3.287 3.199 3.433 . 0 0 "[ . 1 . ]" 1
1149 1 119 ASP HA 1 123 ARG H 5.000 . 6.500 4.260 3.778 4.836 . 0 0 "[ . 1 . ]" 1
1150 1 120 VAL H 1 120 VAL HB 3.000 . 3.300 2.437 2.412 2.553 . 0 0 "[ . 1 . ]" 1
1151 1 120 VAL H 1 120 VAL MG2 3.500 . 3.800 2.267 1.928 2.407 . 0 0 "[ . 1 . ]" 1
1152 1 120 VAL H 1 120 VAL HA 3.000 . 3.300 2.820 2.807 2.846 . 0 0 "[ . 1 . ]" 1
1153 1 120 VAL HB 1 121 LEU H 3.000 . 3.300 2.563 2.382 2.615 . 0 0 "[ . 1 . ]" 1
1154 1 120 VAL HB 1 121 LEU HG 4.000 . 5.500 3.068 2.861 3.260 . 0 0 "[ . 1 . ]" 1
1155 1 120 VAL HB 1 121 LEU MD2 4.500 . 6.000 3.608 2.810 4.020 . 0 0 "[ . 1 . ]" 1
1156 1 120 VAL MG1 1 121 LEU MD2 4.000 . 5.500 2.543 2.230 2.917 . 0 0 "[ . 1 . ]" 1
1157 1 120 VAL MG1 1 121 LEU H 4.500 . 6.000 3.302 3.250 3.378 . 0 0 "[ . 1 . ]" 1
1158 1 120 VAL H 1 121 LEU H 3.000 . 3.300 2.696 2.627 2.790 . 0 0 "[ . 1 . ]" 1
1159 1 120 VAL H 1 121 LEU HG 4.000 . 5.500 4.315 4.063 4.472 . 0 0 "[ . 1 . ]" 1
1160 1 120 VAL HA 1 122 ASN H 4.000 . 5.500 4.011 3.887 4.230 . 0 0 "[ . 1 . ]" 1
1161 1 120 VAL H 1 122 ASN H 5.000 . 6.500 3.792 3.638 3.958 . 0 0 "[ . 1 . ]" 1
1162 1 121 LEU HA 1 121 LEU MD2 3.500 . 3.800 2.070 2.041 2.198 . 0 0 "[ . 1 . ]" 1
1163 1 121 LEU HA 1 121 LEU HB3 3.000 . 3.300 2.449 2.358 2.479 . 0 0 "[ . 1 . ]" 1
1164 1 121 LEU H 1 121 LEU HB2 3.000 . 3.300 2.512 2.471 2.719 . 0 0 "[ . 1 . ]" 1
1165 1 121 LEU H 1 121 LEU HG 3.000 . 3.300 2.168 1.813 2.347 . 0 0 "[ . 1 . ]" 1
1166 1 121 LEU HA 1 122 ASN H 4.000 . 5.500 3.408 3.274 3.505 . 0 0 "[ . 1 . ]" 1
1167 1 122 ASN H 1 122 ASN HA 2.500 . 2.700 2.294 2.288 2.298 . 0 0 "[ . 1 . ]" 1
1168 1 122 ASN HA 1 123 ARG H 3.000 . 3.300 2.733 2.229 2.810 . 0 0 "[ . 1 . ]" 1
1169 1 122 ASN QB 1 123 ARG H 4.000 . 5.500 3.875 3.721 3.914 . 0 0 "[ . 1 . ]" 1
1170 1 122 ASN H 1 123 ARG H 4.000 . 5.500 2.785 2.696 3.515 . 0 0 "[ . 1 . ]" 1
1171 1 123 ARG H 1 123 ARG HB3 4.000 . 5.500 3.728 3.596 3.966 . 0 0 "[ . 1 . ]" 1
1172 1 123 ARG H 1 123 ARG HB2 3.000 . 3.300 2.623 2.399 3.342 0.042 8 0 "[ . 1 . ]" 1
1173 1 30 VAL HA 2 1 . HBC2 4.500 . 6.000 4.493 3.853 4.926 . 0 0 "[ . 1 . ]" 1
1174 1 30 VAL HB 2 1 . HBC2 4.000 . 5.500 3.922 3.461 4.310 . 0 0 "[ . 1 . ]" 1
1175 1 33 PHE QD 2 1 . HBC2 4.500 . 6.000 4.097 3.464 4.870 . 0 0 "[ . 1 . ]" 1
1176 1 33 PHE QE 2 1 . HBC2 6.500 . 8.000 5.216 4.456 6.267 . 0 0 "[ . 1 . ]" 1
1177 1 34 PHE QE 2 1 . HBC1 5.000 . 6.500 3.455 3.074 3.821 . 0 0 "[ . 1 . ]" 1
1178 1 34 PHE QE 2 1 . HBC2 4.500 . 6.000 3.514 3.032 3.991 . 0 0 "[ . 1 . ]" 1
1179 1 49 PHE HZ 2 1 . HAB2 4.500 . 6.000 4.559 4.193 5.822 . 0 0 "[ . 1 . ]" 1
1180 1 60 PHE QD 2 1 . HHB 6.500 . 8.000 4.000 2.323 5.171 . 0 0 "[ . 1 . ]" 1
1181 1 68 ALA MB 2 1 . HAA1 4.500 . 6.000 4.270 3.435 4.716 . 0 0 "[ . 1 . ]" 1
1182 1 68 ALA MB 2 1 . HAA2 4.500 . 6.000 4.267 2.876 5.053 . 0 0 "[ . 1 . ]" 1
1183 1 78 LEU MD1 2 1 . HBC2 4.500 . 6.000 3.736 3.308 4.378 . 0 0 "[ . 1 . ]" 1
1184 1 78 LEU MD1 2 1 . HAC 4.500 . 6.000 3.283 2.933 3.742 . 0 0 "[ . 1 . ]" 1
1185 1 82 HIS HB3 2 1 . HBC2 4.000 . 5.500 4.532 4.042 5.198 . 0 0 "[ . 1 . ]" 1
1186 1 82 HIS HB2 2 1 . HBC2 5.000 . 6.500 5.759 5.242 6.288 . 0 0 "[ . 1 . ]" 1
1187 1 86 ILE MD 2 1 . HBC2 5.500 . 7.000 3.817 3.043 4.368 . 0 0 "[ . 1 . ]" 1
1188 1 86 ILE MD 2 1 . HBC1 5.500 . 7.000 2.673 2.079 3.273 . 0 0 "[ . 1 . ]" 1
1189 1 86 ILE MG 2 1 . HBC1 4.500 . 6.000 3.825 3.378 4.388 . 0 0 "[ . 1 . ]" 1
1190 1 86 ILE MG 2 1 . HBC2 5.500 . 7.000 4.750 4.229 5.272 . 0 0 "[ . 1 . ]" 1
1191 1 116 HIS HD2 2 1 . HAB2 4.000 . 5.500 3.014 3.002 3.024 . 0 0 "[ . 1 . ]" 1
1192 2 1 . HAC 2 1 . HBC1 4.000 . 5.500 3.092 3.091 3.094 . 0 0 "[ . 1 . ]" 1
1193 2 1 . HAC 2 1 . HBC2 3.000 . 3.300 2.463 2.462 2.464 . 0 0 "[ . 1 . ]" 1
1194 2 1 . HAB2 2 1 . HHC 3.500 . 3.800 2.128 2.117 2.152 . 0 0 "[ . 1 . ]" 1
1195 2 1 . HAC 2 1 . HHD 4.000 . 5.500 2.745 2.600 2.914 . 0 0 "[ . 1 . ]" 1
1196 1 69 HIS NE2 2 1 . FE 2.150 . 2.250 2.272 2.243 2.300 0.050 3 0 "[ . 1 . ]" 1
1197 1 45 HIS NE2 2 1 . FE 2.150 . 2.250 2.272 2.237 2.293 0.043 14 0 "[ . 1 . ]" 1
1198 1 45 HIS NE2 1 69 HIS NE2 4.300 4.100 4.400 4.351 4.240 4.415 0.015 16 0 "[ . 1 . ]" 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 112
_Distance_constraint_stats_list.Viol_count 117
_Distance_constraint_stats_list.Viol_total 26.562
_Distance_constraint_stats_list.Viol_max 0.051
_Distance_constraint_stats_list.Viol_rms 0.0046
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0142
_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 12 ALA 0.024 0.020 9 0 "[ . 1 . ]"
1 13 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 16 ALA 0.024 0.020 9 0 "[ . 1 . ]"
1 17 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 19 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 20 PHE 0.001 0.001 1 0 "[ . 1 . ]"
1 21 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 22 GLY 0.045 0.045 16 0 "[ . 1 . ]"
1 23 LYS 0.084 0.033 14 0 "[ . 1 . ]"
1 24 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 25 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 26 ALA 0.065 0.045 16 0 "[ . 1 . ]"
1 27 ASP 0.492 0.051 14 0 "[ . 1 . ]"
1 30 VAL 0.429 0.051 14 0 "[ . 1 . ]"
1 31 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 33 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 34 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 45 HIS 0.012 0.012 13 0 "[ . 1 . ]"
1 46 GLN 0.012 0.012 13 0 "[ . 1 . ]"
1 47 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 48 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 49 PHE 0.030 0.029 10 0 "[ . 1 . ]"
1 50 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 51 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 52 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 53 ALA 0.030 0.029 10 0 "[ . 1 . ]"
1 54 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 65 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 67 ALA 0.020 0.014 8 0 "[ . 1 . ]"
1 69 HIS 0.001 0.001 1 0 "[ . 1 . ]"
1 70 GLN 0.020 0.014 8 0 "[ . 1 . ]"
1 73 VAL 0.001 0.001 1 0 "[ . 1 . ]"
1 79 THR 0.011 0.009 6 0 "[ . 1 . ]"
1 81 VAL 0.001 0.001 1 0 "[ . 1 . ]"
1 82 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 83 PHE 0.011 0.009 6 0 "[ . 1 . ]"
1 84 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 85 ALA 0.001 0.001 1 0 "[ . 1 . ]"
1 86 ILE 0.185 0.041 11 0 "[ . 1 . ]"
1 87 ALA 0.267 0.023 12 0 "[ . 1 . ]"
1 88 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 89 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 90 LEU 0.185 0.041 11 0 "[ . 1 . ]"
1 91 VAL 0.274 0.023 12 0 "[ . 1 . ]"
1 92 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 93 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 94 LEU 0.003 0.003 1 0 "[ . 1 . ]"
1 95 GLN 0.007 0.007 12 0 "[ . 1 . ]"
1 96 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 97 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 99 VAL 0.003 0.003 1 0 "[ . 1 . ]"
1 100 SER 0.000 0.000 1 0 "[ . 1 . ]"
1 101 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 102 ASP 0.221 0.025 3 0 "[ . 1 . ]"
1 103 LEU 0.001 0.000 1 0 "[ . 1 . ]"
1 104 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 105 ASP 0.003 0.003 1 0 "[ . 1 . ]"
1 106 GLU 0.221 0.025 3 0 "[ . 1 . ]"
1 107 VAL 0.000 0.000 1 0 "[ . 1 . ]"
1 108 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 109 THR 0.003 0.003 1 0 "[ . 1 . ]"
1 110 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 111 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 114 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 115 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 116 HIS 0.073 0.022 9 0 "[ . 1 . ]"
1 117 ARG 0.099 0.027 5 0 "[ . 1 . ]"
1 118 ASN 0.132 0.033 7 0 "[ . 1 . ]"
1 119 ASP 0.012 0.012 8 0 "[ . 1 . ]"
1 120 VAL 0.073 0.022 9 0 "[ . 1 . ]"
1 121 LEU 0.099 0.027 5 0 "[ . 1 . ]"
1 122 ASN 0.012 0.012 8 0 "[ . 1 . ]"
1 123 ARG 0.132 0.033 7 0 "[ . 1 . ]"
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 12 ALA O 1 16 ALA H 2.400 . 2.600 2.158 1.828 2.604 0.004 9 0 "[ . 1 . ]" 2
2 1 13 VAL O 1 17 VAL H 2.400 . 2.600 2.006 1.709 2.347 . 0 0 "[ . 1 . ]" 2
3 1 16 ALA O 1 20 PHE H 2.400 . 2.600 2.369 2.032 2.542 . 0 0 "[ . 1 . ]" 2
4 1 17 VAL O 1 21 TYR H 2.400 . 2.600 1.882 1.657 2.153 . 0 0 "[ . 1 . ]" 2
5 1 19 LYS O 1 23 LYS H 2.400 . 2.600 2.419 2.206 2.592 . 0 0 "[ . 1 . ]" 2
6 1 20 PHE O 1 24 VAL H 2.400 . 2.600 2.144 1.817 2.462 . 0 0 "[ . 1 . ]" 2
7 1 21 TYR O 1 25 LEU H 2.400 . 2.600 2.041 1.836 2.310 . 0 0 "[ . 1 . ]" 2
8 1 22 GLY O 1 26 ALA H 2.500 . 2.700 2.364 1.981 2.745 0.045 16 0 "[ . 1 . ]" 2
9 1 23 LYS O 1 26 ALA H 2.500 . 2.700 2.546 2.389 2.719 0.019 13 0 "[ . 1 . ]" 2
10 1 23 LYS O 1 27 ASP H 2.400 . 2.600 2.527 2.213 2.633 0.033 14 0 "[ . 1 . ]" 2
11 1 27 ASP O 1 30 VAL H 2.800 . 3.100 2.849 2.748 2.897 . 0 0 "[ . 1 . ]" 2
12 1 30 VAL O 1 33 PHE H 2.400 . 2.600 2.223 2.090 2.299 . 0 0 "[ . 1 . ]" 2
13 1 31 ASN O 1 34 PHE H 2.400 . 2.600 2.185 1.902 2.344 . 0 0 "[ . 1 . ]" 2
14 1 45 HIS O 1 49 PHE H 2.400 . 2.600 1.847 1.692 1.956 . 0 0 "[ . 1 . ]" 2
15 1 46 GLN O 1 50 MET H 2.400 . 2.600 1.891 1.668 2.126 . 0 0 "[ . 1 . ]" 2
16 1 47 LYS O 1 51 THR H 2.400 . 2.600 2.185 1.960 2.335 . 0 0 "[ . 1 . ]" 2
17 1 48 ASP O 1 52 TYR H 2.400 . 2.600 2.101 1.821 2.254 . 0 0 "[ . 1 . ]" 2
18 1 49 PHE O 1 53 ALA H 2.400 . 2.600 2.390 2.013 2.629 0.029 10 0 "[ . 1 . ]" 2
19 1 51 THR O 1 54 PHE H 2.400 . 2.600 2.283 1.963 2.554 . 0 0 "[ . 1 . ]" 2
20 1 65 MET O 1 69 HIS H 2.400 . 2.600 2.385 2.057 2.596 . 0 0 "[ . 1 . ]" 2
21 1 67 ALA O 1 70 GLN H 2.400 . 2.600 2.548 2.280 2.614 0.014 8 0 "[ . 1 . ]" 2
22 1 69 HIS O 1 73 VAL H 2.400 . 2.600 2.462 2.327 2.565 . 0 0 "[ . 1 . ]" 2
23 1 79 THR O 1 82 HIS H 2.800 . 3.100 2.311 2.109 2.826 . 0 0 "[ . 1 . ]" 2
24 1 79 THR O 1 83 PHE H 2.800 . 3.100 2.940 2.664 3.109 0.009 6 0 "[ . 1 . ]" 2
25 1 81 VAL O 1 85 ALA H 2.400 . 2.600 2.122 1.873 2.601 0.001 1 0 "[ . 1 . ]" 2
26 1 82 HIS O 1 86 ILE H 2.400 . 2.600 2.201 1.965 2.461 . 0 0 "[ . 1 . ]" 2
27 1 83 PHE O 1 87 ALA H 2.400 . 2.600 2.041 1.825 2.382 . 0 0 "[ . 1 . ]" 2
28 1 84 ASP O 1 88 GLU H 2.400 . 2.600 2.089 1.856 2.363 . 0 0 "[ . 1 . ]" 2
29 1 85 ALA O 1 89 ASN H 2.400 . 2.600 2.403 2.168 2.598 . 0 0 "[ . 1 . ]" 2
30 1 86 ILE O 1 90 LEU H 2.400 . 2.600 2.583 2.431 2.641 0.041 11 0 "[ . 1 . ]" 2
31 1 87 ALA O 1 91 VAL H 2.400 . 2.600 2.610 2.582 2.623 0.023 12 0 "[ . 1 . ]" 2
32 1 88 GLU O 1 92 LEU H 2.400 . 2.600 2.189 1.983 2.360 . 0 0 "[ . 1 . ]" 2
33 1 89 ASN O 1 93 THR H 2.400 . 2.600 2.155 2.044 2.320 . 0 0 "[ . 1 . ]" 2
34 1 90 LEU O 1 94 LEU H 2.400 . 2.600 2.434 2.275 2.564 . 0 0 "[ . 1 . ]" 2
35 1 91 VAL O 1 95 GLN H 2.400 . 2.600 2.482 2.347 2.607 0.007 12 0 "[ . 1 . ]" 2
36 1 92 LEU O 1 96 GLU H 2.800 . 3.100 2.436 2.271 2.703 . 0 0 "[ . 1 . ]" 2
37 1 93 THR O 1 97 LEU H 2.800 . 3.100 2.645 2.456 2.763 . 0 0 "[ . 1 . ]" 2
38 1 94 LEU O 1 99 VAL H 2.400 . 2.600 2.502 2.340 2.603 0.003 1 0 "[ . 1 . ]" 2
39 1 100 SER O 1 103 LEU H 2.800 . 3.100 2.475 2.383 3.100 0.000 1 0 "[ . 1 . ]" 2
40 1 100 SER O 1 104 ILE H 2.800 . 3.100 2.397 2.196 2.585 . 0 0 "[ . 1 . ]" 2
41 1 101 GLN O 1 105 ASP H 2.400 . 2.600 2.039 1.834 2.165 . 0 0 "[ . 1 . ]" 2
42 1 102 ASP O 1 106 GLU H 2.400 . 2.600 2.603 2.525 2.625 0.025 3 0 "[ . 1 . ]" 2
43 1 103 LEU O 1 107 VAL H 2.400 . 2.600 2.431 2.275 2.583 . 0 0 "[ . 1 . ]" 2
44 1 104 ILE O 1 108 VAL H 2.400 . 2.600 2.211 1.920 2.521 . 0 0 "[ . 1 . ]" 2
45 1 105 ASP O 1 109 THR H 2.400 . 2.600 2.369 2.188 2.603 0.003 1 0 "[ . 1 . ]" 2
46 1 106 GLU O 1 110 ILE H 2.400 . 2.600 2.424 2.278 2.524 . 0 0 "[ . 1 . ]" 2
47 1 107 VAL O 1 111 VAL H 2.400 . 2.600 2.301 2.026 2.505 . 0 0 "[ . 1 . ]" 2
48 1 114 VAL O 1 118 ASN H 2.400 . 2.600 1.954 1.806 2.221 . 0 0 "[ . 1 . ]" 2
49 1 115 GLN O 1 119 ASP H 2.400 . 2.600 2.225 1.981 2.485 . 0 0 "[ . 1 . ]" 2
50 1 116 HIS O 1 120 VAL H 2.400 . 2.600 2.439 2.070 2.622 0.022 9 0 "[ . 1 . ]" 2
51 1 117 ARG O 1 121 LEU H 2.400 . 2.600 2.462 1.864 2.616 0.016 11 0 "[ . 1 . ]" 2
52 1 119 ASP O 1 122 ASN H 2.400 . 2.600 2.376 2.210 2.612 0.012 8 0 "[ . 1 . ]" 2
53 1 118 ASN O 1 123 ARG H 2.800 . 3.100 2.559 1.918 3.115 0.015 16 0 "[ . 1 . ]" 2
54 1 12 ALA O 1 16 ALA N 3.300 2.500 3.500 3.076 2.751 3.520 0.020 9 0 "[ . 1 . ]" 2
55 1 13 VAL O 1 17 VAL N 3.300 2.500 3.500 2.932 2.671 3.243 . 0 0 "[ . 1 . ]" 2
56 1 16 ALA O 1 20 PHE N 3.300 2.500 3.500 3.302 2.961 3.501 0.001 1 0 "[ . 1 . ]" 2
57 1 17 VAL O 1 21 TYR N 3.300 2.500 3.500 2.834 2.631 3.101 . 0 0 "[ . 1 . ]" 2
58 1 19 LYS O 1 23 LYS N 3.300 2.500 3.500 3.333 3.157 3.488 . 0 0 "[ . 1 . ]" 2
59 1 20 PHE O 1 24 VAL N 3.300 2.500 3.500 3.059 2.760 3.354 . 0 0 "[ . 1 . ]" 2
60 1 21 TYR O 1 25 LEU N 3.300 2.500 3.500 2.960 2.746 3.220 . 0 0 "[ . 1 . ]" 2
61 1 22 GLY O 1 26 ALA N 3.400 2.500 3.600 3.220 2.860 3.544 . 0 0 "[ . 1 . ]" 2
62 1 23 LYS O 1 26 ALA N 3.400 2.500 3.600 3.168 3.052 3.297 . 0 0 "[ . 1 . ]" 2
63 1 23 LYS O 1 27 ASP N 3.400 2.500 3.600 3.390 3.120 3.494 . 0 0 "[ . 1 . ]" 2
64 1 27 ASP O 1 30 VAL N 3.400 2.500 3.600 3.617 3.526 3.651 0.051 14 0 "[ . 1 . ]" 2
65 1 30 VAL O 1 33 PHE N 3.400 2.500 3.600 3.020 2.933 3.061 . 0 0 "[ . 1 . ]" 2
66 1 31 ASN O 1 34 PHE N 3.400 2.500 3.600 2.838 2.668 2.960 . 0 0 "[ . 1 . ]" 2
67 1 45 HIS O 1 49 PHE N 3.300 2.500 3.500 2.772 2.640 2.888 . 0 0 "[ . 1 . ]" 2
68 1 46 GLN O 1 50 MET N 3.300 2.500 3.500 2.845 2.603 3.063 . 0 0 "[ . 1 . ]" 2
69 1 47 LYS O 1 51 THR N 3.300 2.500 3.500 3.093 2.907 3.257 . 0 0 "[ . 1 . ]" 2
70 1 48 ASP O 1 52 TYR N 3.300 2.500 3.500 3.013 2.723 3.227 . 0 0 "[ . 1 . ]" 2
71 1 49 PHE O 1 53 ALA N 3.300 2.500 3.500 3.265 2.924 3.485 . 0 0 "[ . 1 . ]" 2
72 1 51 THR O 1 54 PHE N 3.300 2.500 3.500 3.024 2.758 3.210 . 0 0 "[ . 1 . ]" 2
73 1 65 MET O 1 69 HIS N 3.300 2.500 3.500 3.264 2.961 3.457 . 0 0 "[ . 1 . ]" 2
74 1 67 ALA O 1 70 GLN N 3.300 2.500 3.500 3.213 2.883 3.306 . 0 0 "[ . 1 . ]" 2
75 1 69 HIS O 1 73 VAL N 3.300 2.500 3.500 3.361 3.243 3.501 0.001 1 0 "[ . 1 . ]" 2
76 1 79 THR O 1 82 HIS N 3.700 2.500 4.000 3.089 2.945 3.646 . 0 0 "[ . 1 . ]" 2
77 1 79 THR O 1 83 PHE N 3.700 2.500 4.000 3.831 3.575 3.991 . 0 0 "[ . 1 . ]" 2
78 1 81 VAL O 1 85 ALA N 3.300 2.500 3.500 2.992 2.738 3.340 . 0 0 "[ . 1 . ]" 2
79 1 82 HIS O 1 86 ILE N 3.300 2.500 3.500 3.163 2.940 3.408 . 0 0 "[ . 1 . ]" 2
80 1 83 PHE O 1 87 ALA N 3.300 2.500 3.500 2.882 2.665 3.210 . 0 0 "[ . 1 . ]" 2
81 1 84 ASP O 1 88 GLU N 3.300 2.500 3.500 2.964 2.752 3.261 . 0 0 "[ . 1 . ]" 2
82 1 85 ALA O 1 89 ASN N 3.300 2.500 3.500 3.306 3.081 3.492 . 0 0 "[ . 1 . ]" 2
83 1 86 ILE O 1 90 LEU N 3.300 2.500 3.500 3.448 3.300 3.507 0.007 11 0 "[ . 1 . ]" 2
84 1 87 ALA O 1 91 VAL N 3.300 2.500 3.500 3.501 3.476 3.511 0.011 11 0 "[ . 1 . ]" 2
85 1 88 GLU O 1 92 LEU N 3.300 2.500 3.500 3.127 2.942 3.280 . 0 0 "[ . 1 . ]" 2
86 1 89 ASN O 1 93 THR N 3.300 2.500 3.500 3.032 2.926 3.189 . 0 0 "[ . 1 . ]" 2
87 1 90 LEU O 1 94 LEU N 3.300 2.500 3.500 3.335 3.186 3.452 . 0 0 "[ . 1 . ]" 2
88 1 91 VAL O 1 95 GLN N 3.300 2.500 3.500 3.358 3.238 3.491 . 0 0 "[ . 1 . ]" 2
89 1 92 LEU O 1 96 GLU N 3.700 2.500 4.000 3.288 3.151 3.404 . 0 0 "[ . 1 . ]" 2
90 1 93 THR O 1 97 LEU N 3.700 2.500 4.000 3.463 3.283 3.569 . 0 0 "[ . 1 . ]" 2
91 1 94 LEU O 1 99 VAL N 3.300 2.500 3.500 3.376 3.229 3.463 . 0 0 "[ . 1 . ]" 2
92 1 100 SER O 1 103 LEU N 3.700 2.500 3.900 3.148 3.041 3.765 . 0 0 "[ . 1 . ]" 2
93 1 100 SER O 1 104 ILE N 3.700 2.500 3.900 3.306 3.130 3.485 . 0 0 "[ . 1 . ]" 2
94 1 101 GLN O 1 105 ASP N 3.300 2.500 3.500 2.937 2.640 3.068 . 0 0 "[ . 1 . ]" 2
95 1 102 ASP O 1 106 GLU N 3.300 2.500 3.500 3.494 3.426 3.512 0.012 10 0 "[ . 1 . ]" 2
96 1 103 LEU O 1 107 VAL N 3.300 2.500 3.500 3.313 3.168 3.500 0.000 1 0 "[ . 1 . ]" 2
97 1 104 ILE O 1 108 VAL N 3.300 2.500 3.500 3.117 2.840 3.448 . 0 0 "[ . 1 . ]" 2
98 1 105 ASP O 1 109 THR N 3.300 2.500 3.500 3.282 3.106 3.485 . 0 0 "[ . 1 . ]" 2
99 1 106 GLU O 1 110 ILE N 3.300 2.500 3.500 3.340 3.214 3.423 . 0 0 "[ . 1 . ]" 2
100 1 107 VAL O 1 111 VAL N 3.300 2.500 3.500 3.266 3.004 3.457 . 0 0 "[ . 1 . ]" 2
101 1 114 VAL O 1 118 ASN N 3.300 2.500 3.500 2.886 2.765 3.119 . 0 0 "[ . 1 . ]" 2
102 1 115 GLN O 1 119 ASP N 3.300 2.500 3.500 3.090 2.825 3.341 . 0 0 "[ . 1 . ]" 2
103 1 116 HIS O 1 120 VAL N 3.300 2.500 3.500 3.314 3.007 3.486 . 0 0 "[ . 1 . ]" 2
104 1 117 ARG O 1 121 LEU N 3.300 2.500 3.500 3.387 2.826 3.527 0.027 5 0 "[ . 1 . ]" 2
105 1 119 ASP O 1 122 ASN N 3.300 2.500 3.500 3.081 2.990 3.329 . 0 0 "[ . 1 . ]" 2
106 1 118 ASN O 1 123 ARG N 3.700 2.500 4.000 3.479 2.889 4.033 0.033 7 0 "[ . 1 . ]" 2
107 1 79 THR H 1 82 HIS ND1 2.800 . 3.100 2.128 1.880 2.485 . 0 0 "[ . 1 . ]" 2
108 1 79 THR N 1 82 HIS ND1 3.800 2.500 4.100 3.032 2.761 3.359 . 0 0 "[ . 1 . ]" 2
109 1 65 MET O 1 69 HIS HD1 2.800 . 3.100 2.102 1.836 2.325 . 0 0 "[ . 1 . ]" 2
110 1 65 MET O 1 69 HIS ND1 3.800 2.500 4.100 2.960 2.587 3.241 . 0 0 "[ . 1 . ]" 2
111 1 45 HIS HD1 1 46 GLN OE1 2.800 . 3.100 2.003 1.637 2.842 . 0 0 "[ . 1 . ]" 2
112 1 45 HIS ND1 1 46 GLN OE1 3.800 2.500 4.100 2.845 2.488 3.607 0.012 13 0 "[ . 1 . ]" 2
stop_
save_
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