NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
397603 |
1sy9   |
5480 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1sy9
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 1095
_Distance_constraint_stats_list.Viol_count 1631
_Distance_constraint_stats_list.Viol_total 4143.588
_Distance_constraint_stats_list.Viol_max 0.640
_Distance_constraint_stats_list.Viol_rms 0.0430
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0095
_Distance_constraint_stats_list.Viol_average_violations_only 0.1270
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 0.300 0.092 5 0 "[ . 1 . 2]"
1 2 ASP 2.238 0.327 6 0 "[ . 1 . 2]"
1 3 GLN 9.824 0.437 1 0 "[ . 1 . 2]"
1 4 LEU 8.656 0.324 11 0 "[ . 1 . 2]"
1 5 THR 7.174 0.319 6 0 "[ . 1 . 2]"
1 6 GLU 4.387 0.294 17 0 "[ . 1 . 2]"
1 7 GLU 4.048 0.358 19 0 "[ . 1 . 2]"
1 8 GLN 4.140 0.358 19 0 "[ . 1 . 2]"
1 9 ILE 4.534 0.258 7 0 "[ . 1 . 2]"
1 10 ALA 5.415 0.258 7 0 "[ . 1 . 2]"
1 11 GLU 11.297 0.438 5 0 "[ . 1 . 2]"
1 12 PHE 6.914 0.370 6 0 "[ . 1 . 2]"
1 13 LYS 17.593 0.340 3 0 "[ . 1 . 2]"
1 14 GLU 3.726 0.300 7 0 "[ . 1 . 2]"
1 15 ALA 0.443 0.276 6 0 "[ . 1 . 2]"
1 16 PHE 5.646 0.640 13 2 "[- . 1 + . 2]"
1 17 SER 3.767 0.174 2 0 "[ . 1 . 2]"
1 18 LEU 1.389 0.139 7 0 "[ . 1 . 2]"
1 19 PHE 3.289 0.224 3 0 "[ . 1 . 2]"
1 20 ASP 2.474 0.132 8 0 "[ . 1 . 2]"
1 21 LYS 1.838 0.293 19 0 "[ . 1 . 2]"
1 22 ASP 4.096 0.429 7 0 "[ . 1 . 2]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ASP 10.873 0.429 7 0 "[ . 1 . 2]"
1 25 GLY 2.210 0.640 13 2 "[- . 1 + . 2]"
1 26 THR 0.966 0.154 12 0 "[ . 1 . 2]"
1 27 ILE 0.963 0.058 6 0 "[ . 1 . 2]"
1 28 THR 1.087 0.095 12 0 "[ . 1 . 2]"
1 29 THR 7.022 0.274 3 0 "[ . 1 . 2]"
1 30 LYS 0.168 0.059 7 0 "[ . 1 . 2]"
1 31 GLU 0.404 0.095 12 0 "[ . 1 . 2]"
1 32 LEU 4.179 0.234 10 0 "[ . 1 . 2]"
1 33 GLY 0.495 0.269 7 0 "[ . 1 . 2]"
1 34 THR 4.398 0.280 7 0 "[ . 1 . 2]"
1 35 VAL 0.516 0.069 13 0 "[ . 1 . 2]"
1 36 MET 0.234 0.234 10 0 "[ . 1 . 2]"
1 37 ARG 9.536 0.308 3 0 "[ . 1 . 2]"
1 38 SER 2.045 0.270 17 0 "[ . 1 . 2]"
1 39 LEU 2.266 0.295 13 0 "[ . 1 . 2]"
1 40 GLY 1.745 0.295 13 0 "[ . 1 . 2]"
1 41 GLN 14.304 0.389 2 0 "[ . 1 . 2]"
1 42 ASN 14.082 0.308 3 0 "[ . 1 . 2]"
1 43 PRO 7.528 0.389 2 0 "[ . 1 . 2]"
1 44 THR 5.426 0.289 6 0 "[ . 1 . 2]"
1 45 GLU 8.025 0.311 4 0 "[ . 1 . 2]"
1 46 ALA 1.136 0.136 6 0 "[ . 1 . 2]"
1 47 GLU 9.123 0.350 4 0 "[ . 1 . 2]"
1 48 LEU 7.143 0.324 13 0 "[ . 1 . 2]"
1 49 GLN 12.814 0.350 4 0 "[ . 1 . 2]"
1 50 ASP 5.664 0.243 4 0 "[ . 1 . 2]"
1 51 MET 3.157 0.173 17 0 "[ . 1 . 2]"
1 52 ILE 6.160 0.239 16 0 "[ . 1 . 2]"
1 53 ASN 3.690 0.243 4 0 "[ . 1 . 2]"
1 54 GLU 3.174 0.310 4 0 "[ . 1 . 2]"
1 55 VAL 0.187 0.186 4 0 "[ . 1 . 2]"
1 56 ASP 8.842 0.261 5 0 "[ . 1 . 2]"
1 57 ALA 4.423 0.231 3 0 "[ . 1 . 2]"
1 58 ASP 5.450 0.302 6 0 "[ . 1 . 2]"
1 59 GLY 7.984 0.266 5 0 "[ . 1 . 2]"
1 60 ASN 8.001 0.266 5 0 "[ . 1 . 2]"
1 61 GLY 5.564 0.230 17 0 "[ . 1 . 2]"
1 62 THR 8.100 0.296 17 0 "[ . 1 . 2]"
1 63 ILE 6.129 0.296 17 0 "[ . 1 . 2]"
1 64 ASP 0.757 0.124 15 0 "[ . 1 . 2]"
1 65 PHE 0.239 0.064 14 0 "[ . 1 . 2]"
1 66 PRO 0.104 0.034 9 0 "[ . 1 . 2]"
1 67 GLU 1.281 0.118 11 0 "[ . 1 . 2]"
1 68 PHE 3.293 0.251 2 0 "[ . 1 . 2]"
1 69 LEU 0.998 0.325 8 0 "[ . 1 . 2]"
1 70 THR 6.648 0.477 6 0 "[ . 1 . 2]"
1 71 MET 0.530 0.220 16 0 "[ . 1 . 2]"
1 72 MET 3.056 0.303 10 0 "[ . 1 . 2]"
1 73 ALA 1.517 0.227 20 0 "[ . 1 . 2]"
1 74 ARG 2.064 0.261 5 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 THR HA 1 6 GLU H 2.700 . 3.200 2.402 2.171 3.395 0.195 6 0 "[ . 1 . 2]" 1
2 1 5 THR HB 1 6 GLU H 3.300 . 3.800 3.872 3.710 4.094 0.294 17 0 "[ . 1 . 2]" 1
3 1 5 THR MG 1 6 GLU H 6.000 . 6.500 4.076 3.791 4.440 . 0 0 "[ . 1 . 2]" 1
4 1 6 GLU H 1 6 GLU HA 2.700 . 3.200 2.905 2.805 2.962 . 0 0 "[ . 1 . 2]" 1
5 1 6 GLU H 1 6 GLU HB2 2.700 . 3.200 2.294 2.248 2.357 . 0 0 "[ . 1 . 2]" 1
6 1 6 GLU H 1 6 GLU QG 2.700 . 3.200 2.261 2.051 2.440 . 0 0 "[ . 1 . 2]" 1
7 1 5 THR HA 1 7 GLU H 3.300 . 3.800 3.421 3.150 3.726 . 0 0 "[ . 1 . 2]" 1
8 1 5 THR HB 1 7 GLU H 4.000 . 4.500 3.653 3.192 4.819 0.319 6 0 "[ . 1 . 2]" 1
9 1 5 THR MG 1 7 GLU H 6.000 . 6.500 4.326 3.790 5.051 . 0 0 "[ . 1 . 2]" 1
10 1 6 GLU HB2 1 7 GLU H 6.000 . 6.500 3.152 2.585 3.344 . 0 0 "[ . 1 . 2]" 1
11 1 6 GLU H 1 7 GLU H 3.300 . 3.800 2.575 2.347 2.910 . 0 0 "[ . 1 . 2]" 1
12 1 7 GLU H 1 7 GLU QG 2.700 . 3.200 1.957 1.889 2.055 . 0 0 "[ . 1 . 2]" 1
13 1 6 GLU H 1 8 GLN H 6.000 . 6.500 4.564 4.273 4.941 . 0 0 "[ . 1 . 2]" 1
14 1 7 GLU H 1 8 GLN HB3 6.000 . 6.500 6.130 5.972 6.506 0.006 16 0 "[ . 1 . 2]" 1
15 1 7 GLU H 1 8 GLN H 2.700 . 3.200 2.679 2.493 3.188 . 0 0 "[ . 1 . 2]" 1
16 1 8 GLN H 1 8 GLN HA 2.700 . 3.200 2.887 2.798 2.911 . 0 0 "[ . 1 . 2]" 1
17 1 8 GLN H 1 8 GLN HB3 4.000 . 4.500 3.517 3.490 3.534 . 0 0 "[ . 1 . 2]" 1
18 1 8 GLN H 1 8 GLN QG 2.700 . 3.200 2.247 1.975 2.461 . 0 0 "[ . 1 . 2]" 1
19 1 6 GLU H 1 9 ILE MD 6.000 . 6.500 4.629 3.285 5.794 . 0 0 "[ . 1 . 2]" 1
20 1 4 LEU HB3 1 6 GLU H 6.000 . 6.500 5.224 2.698 6.610 0.110 7 0 "[ . 1 . 2]" 1
21 1 6 GLU HA 1 9 ILE H 3.300 . 3.800 3.321 3.142 3.558 . 0 0 "[ . 1 . 2]" 1
22 1 7 GLU H 1 9 ILE H 5.000 . 5.500 4.080 3.759 4.390 . 0 0 "[ . 1 . 2]" 1
23 1 8 GLN HB2 1 9 ILE H 2.700 . 3.200 2.755 2.507 3.129 . 0 0 "[ . 1 . 2]" 1
24 1 8 GLN H 1 9 ILE H 2.700 . 3.200 2.582 2.450 2.923 . 0 0 "[ . 1 . 2]" 1
25 1 9 ILE H 1 9 ILE HB 2.700 . 3.200 2.439 2.397 2.472 . 0 0 "[ . 1 . 2]" 1
26 1 9 ILE H 1 9 ILE MD 5.000 . 5.500 3.281 3.037 3.470 . 0 0 "[ . 1 . 2]" 1
27 1 9 ILE H 1 9 ILE HG13 2.700 . 3.200 2.440 1.915 3.400 0.200 19 0 "[ . 1 . 2]" 1
28 1 9 ILE H 1 9 ILE HG12 2.700 . 3.200 2.804 1.866 3.330 0.130 3 0 "[ . 1 . 2]" 1
29 1 7 GLU HA 1 10 ALA H 4.000 . 4.500 3.810 3.416 4.131 . 0 0 "[ . 1 . 2]" 1
30 1 10 ALA H 1 12 PHE H 5.000 . 5.500 4.373 4.111 4.753 . 0 0 "[ . 1 . 2]" 1
31 1 10 ALA H 1 11 GLU HG3 6.000 . 6.500 4.880 4.034 6.657 0.157 5 0 "[ . 1 . 2]" 1
32 1 9 ILE HA 1 10 ALA H 3.300 . 3.800 3.574 3.540 3.618 . 0 0 "[ . 1 . 2]" 1
33 1 9 ILE HB 1 10 ALA H 2.700 . 3.200 2.649 2.221 2.916 . 0 0 "[ . 1 . 2]" 1
34 1 9 ILE MD 1 10 ALA H 6.000 . 6.500 4.626 4.468 4.763 . 0 0 "[ . 1 . 2]" 1
35 1 9 ILE HG13 1 10 ALA H 4.000 . 4.500 4.471 4.286 4.758 0.258 7 0 "[ . 1 . 2]" 1
36 1 9 ILE H 1 10 ALA H 3.300 . 3.800 2.828 2.717 2.957 . 0 0 "[ . 1 . 2]" 1
37 1 10 ALA H 1 10 ALA HA 2.700 . 3.200 2.869 2.850 2.888 . 0 0 "[ . 1 . 2]" 1
38 1 10 ALA H 1 10 ALA MB 2.700 . 3.200 2.080 1.954 2.162 . 0 0 "[ . 1 . 2]" 1
39 1 8 GLN HA 1 11 GLU H 3.300 . 3.800 3.560 3.257 3.852 0.052 6 0 "[ . 1 . 2]" 1
40 1 9 ILE QG 1 11 GLU H 6.000 . 6.500 5.537 5.292 6.110 . 0 0 "[ . 1 . 2]" 1
41 1 10 ALA MB 1 11 GLU H 3.300 . 3.800 2.642 2.180 2.921 . 0 0 "[ . 1 . 2]" 1
42 1 10 ALA H 1 11 GLU H 2.700 . 3.200 2.689 2.602 2.949 . 0 0 "[ . 1 . 2]" 1
43 1 11 GLU H 1 11 GLU HA 2.700 . 3.200 2.851 2.790 2.889 . 0 0 "[ . 1 . 2]" 1
44 1 11 GLU H 1 11 GLU HB3 2.700 . 3.200 3.285 2.011 3.515 0.315 15 0 "[ . 1 . 2]" 1
45 1 11 GLU H 1 11 GLU HB2 2.700 . 3.200 2.287 2.022 3.390 0.190 6 0 "[ . 1 . 2]" 1
46 1 11 GLU H 1 11 GLU HG3 3.300 . 3.800 2.721 2.103 4.238 0.438 5 0 "[ . 1 . 2]" 1
47 1 9 ILE HA 1 12 PHE H 3.300 . 3.800 3.562 3.320 3.865 0.065 15 0 "[ . 1 . 2]" 1
48 1 12 PHE H 1 13 LYS HG3 6.000 . 6.500 5.936 5.267 6.836 0.336 6 0 "[ . 1 . 2]" 1
49 1 10 ALA MB 1 12 PHE H 6.000 . 6.500 4.618 4.350 4.954 . 0 0 "[ . 1 . 2]" 1
50 1 11 GLU H 1 12 PHE HB2 6.000 . 6.500 4.628 4.511 4.839 . 0 0 "[ . 1 . 2]" 1
51 1 11 GLU HA 1 12 PHE H 3.300 . 3.800 3.559 3.530 3.580 . 0 0 "[ . 1 . 2]" 1
52 1 11 GLU HB3 1 12 PHE H 2.700 . 3.200 3.247 2.293 3.570 0.370 6 0 "[ . 1 . 2]" 1
53 1 11 GLU HB2 1 12 PHE H 6.000 . 6.500 2.711 2.223 3.988 . 0 0 "[ . 1 . 2]" 1
54 1 11 GLU H 1 12 PHE H 2.700 . 3.200 2.709 2.591 2.833 . 0 0 "[ . 1 . 2]" 1
55 1 12 PHE H 1 12 PHE HA 2.700 . 3.200 2.872 2.855 2.897 . 0 0 "[ . 1 . 2]" 1
56 1 12 PHE H 1 12 PHE QB 2.700 . 3.200 2.231 2.047 2.333 . 0 0 "[ . 1 . 2]" 1
57 1 12 PHE H 1 12 PHE QD 3.300 . 3.800 2.696 2.072 3.178 . 0 0 "[ . 1 . 2]" 1
58 1 10 ALA HA 1 13 LYS H 2.700 . 3.200 3.367 3.237 3.451 0.251 1 0 "[ . 1 . 2]" 1
59 1 11 GLU H 1 13 LYS H 6.000 . 6.500 3.925 3.540 4.080 . 0 0 "[ . 1 . 2]" 1
60 1 12 PHE HB3 1 13 LYS H 3.300 . 3.800 3.851 3.684 3.951 0.151 19 0 "[ . 1 . 2]" 1
61 1 12 PHE HB2 1 13 LYS H 3.300 . 3.800 3.012 2.809 3.221 . 0 0 "[ . 1 . 2]" 1
62 1 13 LYS H 1 65 PHE QE 6.000 . 6.500 4.399 3.496 4.863 . 0 0 "[ . 1 . 2]" 1
63 1 12 PHE H 1 13 LYS H 3.300 . 3.800 2.619 2.451 2.722 . 0 0 "[ . 1 . 2]" 1
64 1 13 LYS H 1 13 LYS HA 2.700 . 3.200 2.893 2.873 2.908 . 0 0 "[ . 1 . 2]" 1
65 1 13 LYS H 1 13 LYS HB3 2.700 . 3.200 3.015 2.216 3.522 0.322 17 0 "[ . 1 . 2]" 1
66 1 13 LYS H 1 13 LYS HB2 2.700 . 3.200 2.446 2.358 2.628 . 0 0 "[ . 1 . 2]" 1
67 1 13 LYS H 1 13 LYS HG2 5.000 . 5.500 2.918 1.964 4.456 . 0 0 "[ . 1 . 2]" 1
68 1 11 GLU HA 1 14 GLU H 3.300 . 3.800 3.679 3.428 3.884 0.084 10 0 "[ . 1 . 2]" 1
69 1 12 PHE HA 1 14 GLU H 6.000 . 6.500 4.389 4.246 4.743 . 0 0 "[ . 1 . 2]" 1
70 1 12 PHE H 1 14 GLU H 5.000 . 5.500 4.419 4.134 4.582 . 0 0 "[ . 1 . 2]" 1
71 1 13 LYS QB 1 14 GLU H 2.700 . 3.200 2.378 2.222 2.607 . 0 0 "[ . 1 . 2]" 1
72 1 13 LYS HG2 1 14 GLU H 3.300 . 3.800 3.886 3.495 4.100 0.300 7 0 "[ . 1 . 2]" 1
73 1 13 LYS H 1 14 GLU H 2.700 . 3.200 2.551 2.468 2.703 . 0 0 "[ . 1 . 2]" 1
74 1 14 GLU H 1 14 GLU HA 2.700 . 3.200 2.871 2.826 2.918 . 0 0 "[ . 1 . 2]" 1
75 1 14 GLU H 1 14 GLU QB 2.700 . 3.200 2.277 2.171 2.355 . 0 0 "[ . 1 . 2]" 1
76 1 12 PHE HA 1 15 ALA H 3.300 . 3.800 3.559 3.237 3.849 0.049 6 0 "[ . 1 . 2]" 1
77 1 13 LYS H 1 15 ALA H 6.000 . 6.500 4.265 3.802 4.633 . 0 0 "[ . 1 . 2]" 1
78 1 14 GLU HB2 1 15 ALA H 2.700 . 3.200 2.590 2.186 3.476 0.276 6 0 "[ . 1 . 2]" 1
79 1 15 ALA H 1 15 ALA HA 2.700 . 3.200 2.883 2.826 2.948 . 0 0 "[ . 1 . 2]" 1
80 1 15 ALA H 1 15 ALA MB 2.700 . 3.200 2.068 1.939 2.183 . 0 0 "[ . 1 . 2]" 1
81 1 13 LYS HA 1 16 PHE H 3.300 . 3.800 3.715 3.540 3.907 0.107 8 0 "[ . 1 . 2]" 1
82 1 14 GLU H 1 16 PHE H 6.000 . 6.500 4.103 3.991 4.271 . 0 0 "[ . 1 . 2]" 1
83 1 15 ALA H 1 16 PHE HB3 6.000 . 6.500 4.853 4.499 5.135 . 0 0 "[ . 1 . 2]" 1
84 1 12 PHE HD1 1 15 ALA H 6.000 . 6.500 5.584 5.031 6.264 . 0 0 "[ . 1 . 2]" 1
85 1 15 ALA MB 1 16 PHE H 2.700 . 3.200 2.746 2.478 2.997 . 0 0 "[ . 1 . 2]" 1
86 1 15 ALA H 1 16 PHE H 2.700 . 3.200 2.632 2.366 2.883 . 0 0 "[ . 1 . 2]" 1
87 1 16 PHE H 1 16 PHE HA 2.700 . 3.200 2.827 2.788 2.842 . 0 0 "[ . 1 . 2]" 1
88 1 16 PHE H 1 16 PHE QB 2.700 . 3.200 2.172 2.154 2.193 . 0 0 "[ . 1 . 2]" 1
89 1 16 PHE H 1 19 PHE H 5.000 . 5.500 4.791 4.554 5.093 . 0 0 "[ . 1 . 2]" 1
90 1 16 PHE H 1 16 PHE HD1 6.000 . 6.500 4.659 4.492 4.777 . 0 0 "[ . 1 . 2]" 1
91 1 14 GLU HA 1 17 SER H 4.000 . 4.500 4.164 3.825 4.502 0.002 9 0 "[ . 1 . 2]" 1
92 1 15 ALA MB 1 17 SER H 6.000 . 6.500 4.773 4.567 4.976 . 0 0 "[ . 1 . 2]" 1
93 1 16 PHE HB3 1 17 SER H 2.700 . 3.200 2.437 2.227 2.627 . 0 0 "[ . 1 . 2]" 1
94 1 16 PHE HB2 1 17 SER H 3.300 . 3.800 3.805 3.690 3.872 0.072 14 0 "[ . 1 . 2]" 1
95 1 16 PHE QD 1 17 SER H 6.000 . 6.500 3.150 2.848 3.554 . 0 0 "[ . 1 . 2]" 1
96 1 16 PHE H 1 17 SER H 3.300 . 3.800 2.898 2.813 3.110 . 0 0 "[ . 1 . 2]" 1
97 1 17 SER H 1 17 SER QB 2.700 . 3.200 2.313 2.170 2.408 . 0 0 "[ . 1 . 2]" 1
98 1 15 ALA HA 1 18 LEU H 3.300 . 3.800 3.401 3.190 3.603 . 0 0 "[ . 1 . 2]" 1
99 1 16 PHE HA 1 18 LEU H 6.000 . 6.500 4.383 4.267 4.550 . 0 0 "[ . 1 . 2]" 1
100 1 17 SER H 1 18 LEU HB3 6.000 . 6.500 4.743 4.562 5.113 . 0 0 "[ . 1 . 2]" 1
101 1 17 SER H 1 18 LEU H 2.700 . 3.200 2.620 2.527 2.706 . 0 0 "[ . 1 . 2]" 1
102 1 18 LEU H 1 18 LEU HA 2.700 . 3.200 2.869 2.845 2.903 . 0 0 "[ . 1 . 2]" 1
103 1 18 LEU H 1 18 LEU HB3 2.700 . 3.200 2.471 2.426 2.749 . 0 0 "[ . 1 . 2]" 1
104 1 18 LEU H 1 18 LEU HB2 2.700 . 3.200 2.435 2.177 2.531 . 0 0 "[ . 1 . 2]" 1
105 1 18 LEU H 1 18 LEU HG 5.000 . 5.500 4.414 4.367 4.555 . 0 0 "[ . 1 . 2]" 1
106 1 16 PHE H 1 19 PHE HB2 6.000 . 6.500 5.011 4.625 5.435 . 0 0 "[ . 1 . 2]" 1
107 1 16 PHE HA 1 19 PHE H 6.000 . 6.500 3.474 3.359 3.681 . 0 0 "[ . 1 . 2]" 1
108 1 17 SER H 1 19 PHE H 5.000 . 5.500 4.152 4.036 4.286 . 0 0 "[ . 1 . 2]" 1
109 1 18 LEU HA 1 19 PHE H 3.300 . 3.800 3.546 3.519 3.565 . 0 0 "[ . 1 . 2]" 1
110 1 18 LEU HB3 1 19 PHE H 3.300 . 3.800 2.509 2.398 2.562 . 0 0 "[ . 1 . 2]" 1
111 1 18 LEU HB2 1 19 PHE H 3.300 . 3.800 3.799 3.624 3.851 0.051 9 0 "[ . 1 . 2]" 1
112 1 18 LEU MD2 1 19 PHE H 6.000 . 6.500 4.119 2.948 4.600 . 0 0 "[ . 1 . 2]" 1
113 1 18 LEU H 1 19 PHE H 2.700 . 3.200 2.659 2.524 2.740 . 0 0 "[ . 1 . 2]" 1
114 1 19 PHE H 1 19 PHE HA 2.700 . 3.200 2.909 2.893 2.927 . 0 0 "[ . 1 . 2]" 1
115 1 19 PHE H 1 19 PHE HB3 2.700 . 3.200 3.212 2.577 3.424 0.224 3 0 "[ . 1 . 2]" 1
116 1 19 PHE H 1 19 PHE HB2 3.300 . 3.800 2.068 1.984 2.390 . 0 0 "[ . 1 . 2]" 1
117 1 17 SER HA 1 20 ASP H 2.700 . 3.200 3.274 3.228 3.332 0.132 8 0 "[ . 1 . 2]" 1
118 1 18 LEU H 1 20 ASP H 4.000 . 4.500 4.009 3.905 4.080 . 0 0 "[ . 1 . 2]" 1
119 1 19 PHE H 1 20 ASP HB3 6.000 . 6.500 4.929 4.776 5.205 . 0 0 "[ . 1 . 2]" 1
120 1 19 PHE QB 1 20 ASP H 3.300 . 3.800 2.705 2.622 2.811 . 0 0 "[ . 1 . 2]" 1
121 1 19 PHE H 1 20 ASP H 2.700 . 3.200 2.522 2.439 2.616 . 0 0 "[ . 1 . 2]" 1
122 1 20 ASP H 1 20 ASP HA 2.700 . 3.200 2.973 2.964 2.986 . 0 0 "[ . 1 . 2]" 1
123 1 20 ASP H 1 20 ASP HB3 2.700 . 3.200 2.592 2.490 2.744 . 0 0 "[ . 1 . 2]" 1
124 1 20 ASP H 1 20 ASP HB2 2.700 . 3.200 2.473 2.325 2.609 . 0 0 "[ . 1 . 2]" 1
125 1 20 ASP HA 1 21 LYS H 3.300 . 3.800 2.312 2.256 2.379 . 0 0 "[ . 1 . 2]" 1
126 1 21 LYS H 1 21 LYS HA 2.700 . 3.200 2.845 2.819 2.884 . 0 0 "[ . 1 . 2]" 1
127 1 21 LYS H 1 21 LYS QB 2.700 . 3.200 2.289 2.226 2.352 . 0 0 "[ . 1 . 2]" 1
128 1 21 LYS H 1 21 LYS HG3 3.300 . 3.800 3.137 2.387 3.452 . 0 0 "[ . 1 . 2]" 1
129 1 21 LYS H 1 21 LYS HG2 3.300 . 3.800 2.461 1.986 3.857 0.057 6 0 "[ . 1 . 2]" 1
130 1 20 ASP HB2 1 22 ASP H 5.000 . 5.500 5.337 5.057 5.469 . 0 0 "[ . 1 . 2]" 1
131 1 21 LYS H 1 22 ASP QB 6.000 . 6.500 4.878 4.755 5.023 . 0 0 "[ . 1 . 2]" 1
132 1 21 LYS HA 1 22 ASP H 3.300 . 3.800 3.580 3.535 3.614 . 0 0 "[ . 1 . 2]" 1
133 1 21 LYS QB 1 22 ASP H 5.000 . 5.500 2.697 2.576 2.940 . 0 0 "[ . 1 . 2]" 1
134 1 21 LYS QG 1 22 ASP H 6.000 . 6.500 4.197 4.090 4.510 . 0 0 "[ . 1 . 2]" 1
135 1 21 LYS H 1 22 ASP H 6.000 . 6.500 2.785 2.610 2.903 . 0 0 "[ . 1 . 2]" 1
136 1 22 ASP H 1 22 ASP HA 2.700 . 3.200 2.910 2.899 2.929 . 0 0 "[ . 1 . 2]" 1
137 1 22 ASP H 1 22 ASP HB2 2.700 . 3.200 2.496 2.379 2.599 . 0 0 "[ . 1 . 2]" 1
138 1 22 ASP H 1 23 GLY QA 5.000 . 5.500 4.499 4.323 4.532 . 0 0 "[ . 1 . 2]" 1
139 1 22 ASP HA 1 23 GLY H 3.300 . 3.800 3.453 3.431 3.551 . 0 0 "[ . 1 . 2]" 1
140 1 22 ASP HB2 1 23 GLY H 6.000 . 6.500 3.159 2.049 3.282 . 0 0 "[ . 1 . 2]" 1
141 1 22 ASP H 1 23 GLY H 2.700 . 3.200 2.598 2.556 2.624 . 0 0 "[ . 1 . 2]" 1
142 1 22 ASP H 1 24 ASP H 3.300 . 3.800 3.992 3.847 4.229 0.429 7 0 "[ . 1 . 2]" 1
143 1 23 GLY QA 1 24 ASP H 2.700 . 3.200 2.851 2.816 2.887 . 0 0 "[ . 1 . 2]" 1
144 1 23 GLY H 1 24 ASP H 3.300 . 3.800 2.671 2.016 2.778 . 0 0 "[ . 1 . 2]" 1
145 1 24 ASP H 1 24 ASP HB3 2.700 . 3.200 2.691 2.562 3.495 0.295 18 0 "[ . 1 . 2]" 1
146 1 24 ASP H 1 24 ASP HB2 2.700 . 3.200 3.428 2.227 3.580 0.380 14 0 "[ . 1 . 2]" 1
147 1 24 ASP HB3 1 25 GLY H 6.000 . 6.500 4.264 4.039 4.335 . 0 0 "[ . 1 . 2]" 1
148 1 17 SER HA 1 25 GLY H 6.000 . 6.500 5.571 5.070 6.033 . 0 0 "[ . 1 . 2]" 1
149 1 23 GLY QA 1 25 GLY H 6.000 . 6.500 3.192 3.109 3.248 . 0 0 "[ . 1 . 2]" 1
150 1 23 GLY H 1 25 GLY H 6.000 . 6.500 4.191 3.722 4.299 . 0 0 "[ . 1 . 2]" 1
151 1 24 ASP H 1 25 GLY HA3 6.000 . 6.500 5.135 5.088 5.235 . 0 0 "[ . 1 . 2]" 1
152 1 24 ASP HA 1 25 GLY H 3.300 . 3.800 3.393 3.348 3.446 . 0 0 "[ . 1 . 2]" 1
153 1 24 ASP HB2 1 25 GLY H 6.000 . 6.500 4.169 3.142 4.345 . 0 0 "[ . 1 . 2]" 1
154 1 24 ASP H 1 25 GLY H 2.700 . 3.200 2.457 2.418 2.561 . 0 0 "[ . 1 . 2]" 1
155 1 25 GLY H 1 25 GLY HA3 2.700 . 3.200 2.954 2.925 2.966 . 0 0 "[ . 1 . 2]" 1
156 1 25 GLY H 1 25 GLY HA2 2.700 . 3.200 2.398 2.361 2.416 . 0 0 "[ . 1 . 2]" 1
157 1 20 ASP HA 1 26 THR H 6.000 . 6.500 5.545 5.167 5.933 . 0 0 "[ . 1 . 2]" 1
158 1 24 ASP H 1 26 THR H 6.000 . 6.500 3.547 3.427 3.629 . 0 0 "[ . 1 . 2]" 1
159 1 25 GLY H 1 26 THR HA 6.000 . 6.500 5.031 4.973 5.137 . 0 0 "[ . 1 . 2]" 1
160 1 25 GLY HA3 1 26 THR H 3.300 . 3.800 3.388 3.358 3.434 . 0 0 "[ . 1 . 2]" 1
161 1 25 GLY HA2 1 26 THR H 3.300 . 3.800 3.329 3.271 3.368 . 0 0 "[ . 1 . 2]" 1
162 1 25 GLY H 1 26 THR H 2.700 . 3.200 2.463 2.383 2.541 . 0 0 "[ . 1 . 2]" 1
163 1 26 THR H 1 26 THR HA 2.700 . 3.200 2.991 2.968 3.000 . 0 0 "[ . 1 . 2]" 1
164 1 26 THR H 1 26 THR MG 3.300 . 3.800 2.829 2.760 2.938 . 0 0 "[ . 1 . 2]" 1
165 1 16 PHE HZ 1 27 ILE H 6.000 . 6.500 4.402 3.298 5.757 . 0 0 "[ . 1 . 2]" 1
166 1 20 ASP H 1 27 ILE QG 6.000 . 6.500 3.920 3.466 4.407 . 0 0 "[ . 1 . 2]" 1
167 1 26 THR HA 1 27 ILE H 2.700 . 3.200 2.231 2.213 2.247 . 0 0 "[ . 1 . 2]" 1
168 1 26 THR HB 1 27 ILE H 3.300 . 3.800 3.129 3.042 3.185 . 0 0 "[ . 1 . 2]" 1
169 1 27 ILE H 1 27 ILE HB 3.300 . 3.800 2.406 2.382 2.434 . 0 0 "[ . 1 . 2]" 1
170 1 27 ILE H 1 27 ILE HG13 3.300 . 3.800 2.553 2.332 3.763 . 0 0 "[ . 1 . 2]" 1
171 1 27 ILE H 1 27 ILE HG12 3.300 . 3.800 3.601 2.383 3.775 . 0 0 "[ . 1 . 2]" 1
172 1 20 ASP HA 1 28 THR H 6.000 . 6.500 5.155 4.860 5.604 . 0 0 "[ . 1 . 2]" 1
173 1 27 ILE HA 1 28 THR H 2.700 . 3.200 2.205 2.166 2.237 . 0 0 "[ . 1 . 2]" 1
174 1 27 ILE HB 1 28 THR H 6.000 . 6.500 4.278 4.189 4.362 . 0 0 "[ . 1 . 2]" 1
175 1 27 ILE MD 1 28 THR H 6.000 . 6.500 5.104 3.726 5.371 . 0 0 "[ . 1 . 2]" 1
176 1 27 ILE H 1 28 THR H 6.000 . 6.500 4.456 4.423 4.502 . 0 0 "[ . 1 . 2]" 1
177 1 28 THR HA 1 29 THR H 2.700 . 3.200 2.259 2.217 2.563 . 0 0 "[ . 1 . 2]" 1
178 1 28 THR H 1 29 THR H 6.000 . 6.500 4.561 4.541 4.574 . 0 0 "[ . 1 . 2]" 1
179 1 29 THR H 1 29 THR HA 2.700 . 3.200 2.743 2.717 2.928 . 0 0 "[ . 1 . 2]" 1
180 1 29 THR H 1 29 THR HB 3.300 . 3.800 3.577 3.555 3.597 . 0 0 "[ . 1 . 2]" 1
181 1 29 THR H 1 29 THR MG 2.700 . 3.200 2.015 1.922 2.281 . 0 0 "[ . 1 . 2]" 1
182 1 28 THR HB 1 30 LYS H 2.700 . 3.200 3.034 2.803 3.259 0.059 7 0 "[ . 1 . 2]" 1
183 1 29 THR H 1 30 LYS QB 6.000 . 6.500 4.840 4.288 5.022 . 0 0 "[ . 1 . 2]" 1
184 1 29 THR H 1 30 LYS H 3.300 . 3.800 3.019 2.416 3.114 . 0 0 "[ . 1 . 2]" 1
185 1 30 LYS H 1 30 LYS HA 2.700 . 3.200 2.886 2.872 2.894 . 0 0 "[ . 1 . 2]" 1
186 1 21 LYS H 1 31 GLU QG 4.000 . 4.500 4.285 3.721 4.553 0.053 8 0 "[ . 1 . 2]" 1
187 1 27 ILE MG 1 31 GLU H 6.000 . 6.500 4.477 4.293 4.662 . 0 0 "[ . 1 . 2]" 1
188 1 28 THR H 1 31 GLU QB 4.000 . 4.500 2.476 2.318 2.678 . 0 0 "[ . 1 . 2]" 1
189 1 28 THR HB 1 31 GLU H 3.300 . 3.800 3.393 2.533 3.858 0.058 6 0 "[ . 1 . 2]" 1
190 1 28 THR H 1 31 GLU H 3.300 . 3.800 3.726 3.567 3.895 0.095 12 0 "[ . 1 . 2]" 1
191 1 30 LYS QB 1 31 GLU H 2.700 . 3.200 2.269 2.199 2.484 . 0 0 "[ . 1 . 2]" 1
192 1 31 GLU H 1 31 GLU HA 2.700 . 3.200 2.844 2.836 2.851 . 0 0 "[ . 1 . 2]" 1
193 1 29 THR HA 1 32 LEU H 3.300 . 3.800 3.791 3.574 3.943 0.143 12 0 "[ . 1 . 2]" 1
194 1 31 GLU H 1 32 LEU HB2 5.000 . 5.500 5.259 4.846 5.390 . 0 0 "[ . 1 . 2]" 1
195 1 31 GLU HA 1 32 LEU H 3.300 . 3.800 3.610 3.589 3.623 . 0 0 "[ . 1 . 2]" 1
196 1 31 GLU HB2 1 32 LEU H 3.300 . 3.800 2.286 2.185 2.369 . 0 0 "[ . 1 . 2]" 1
197 1 31 GLU H 1 32 LEU H 2.700 . 3.200 2.986 2.958 3.024 . 0 0 "[ . 1 . 2]" 1
198 1 32 LEU H 1 32 LEU HA 2.700 . 3.200 2.830 2.797 2.852 . 0 0 "[ . 1 . 2]" 1
199 1 32 LEU H 1 32 LEU HB3 2.700 . 3.200 2.499 2.435 2.830 . 0 0 "[ . 1 . 2]" 1
200 1 32 LEU H 1 32 LEU HB2 2.700 . 3.200 2.379 2.073 2.449 . 0 0 "[ . 1 . 2]" 1
201 1 30 LYS HA 1 33 GLY H 5.000 . 5.500 3.827 3.710 3.945 . 0 0 "[ . 1 . 2]" 1
202 1 32 LEU HA 1 33 GLY H 3.300 . 3.800 3.540 3.513 3.567 . 0 0 "[ . 1 . 2]" 1
203 1 32 LEU HB3 1 33 GLY H 2.700 . 3.200 2.661 2.555 2.785 . 0 0 "[ . 1 . 2]" 1
204 1 32 LEU HB2 1 33 GLY H 4.000 . 4.500 3.895 3.579 3.989 . 0 0 "[ . 1 . 2]" 1
205 1 32 LEU MD1 1 33 GLY H 6.000 . 6.500 4.492 3.526 4.881 . 0 0 "[ . 1 . 2]" 1
206 1 32 LEU MD2 1 33 GLY H 6.000 . 6.500 4.071 2.955 4.700 . 0 0 "[ . 1 . 2]" 1
207 1 33 GLY H 1 33 GLY HA3 2.700 . 3.200 2.349 2.343 2.353 . 0 0 "[ . 1 . 2]" 1
208 1 33 GLY H 1 33 GLY HA2 2.700 . 3.200 2.800 2.778 2.828 . 0 0 "[ . 1 . 2]" 1
209 1 32 LEU HA 1 34 THR H 3.300 . 3.800 3.908 3.847 3.980 0.180 10 0 "[ . 1 . 2]" 1
210 1 72 MET H 1 72 MET HB2 3.300 . 3.800 2.365 2.219 2.454 . 0 0 "[ . 1 . 2]" 1
211 1 33 GLY HA3 1 34 THR H 2.700 . 3.200 2.961 2.922 2.988 . 0 0 "[ . 1 . 2]" 1
212 1 33 GLY H 1 34 THR H 2.700 . 3.200 2.824 2.711 2.908 . 0 0 "[ . 1 . 2]" 1
213 1 34 THR H 1 34 THR HA 2.700 . 3.200 2.899 2.876 2.923 . 0 0 "[ . 1 . 2]" 1
214 1 34 THR H 1 34 THR HB 2.700 . 3.200 2.417 2.396 2.484 . 0 0 "[ . 1 . 2]" 1
215 1 32 LEU HA 1 35 VAL H 3.300 . 3.800 3.267 3.184 3.399 . 0 0 "[ . 1 . 2]" 1
216 1 34 THR HA 1 35 VAL H 3.300 . 3.800 3.551 3.513 3.578 . 0 0 "[ . 1 . 2]" 1
217 1 34 THR HB 1 35 VAL H 2.700 . 3.200 2.538 2.484 2.581 . 0 0 "[ . 1 . 2]" 1
218 1 34 THR MG 1 35 VAL H 6.000 . 6.500 3.479 3.422 3.588 . 0 0 "[ . 1 . 2]" 1
219 1 34 THR H 1 35 VAL H 3.300 . 3.800 2.600 2.534 2.640 . 0 0 "[ . 1 . 2]" 1
220 1 35 VAL H 1 35 VAL HB 2.700 . 3.200 2.388 2.327 2.460 . 0 0 "[ . 1 . 2]" 1
221 1 35 VAL H 1 35 VAL MG2 2.700 . 3.200 2.108 1.967 2.261 . 0 0 "[ . 1 . 2]" 1
222 1 35 VAL HA 1 36 MET H 3.300 . 3.800 3.566 3.536 3.607 . 0 0 "[ . 1 . 2]" 1
223 1 35 VAL HB 1 36 MET H 2.700 . 3.200 2.288 2.094 2.576 . 0 0 "[ . 1 . 2]" 1
224 1 35 VAL MG1 1 36 MET H 6.000 . 6.500 3.129 2.943 3.441 . 0 0 "[ . 1 . 2]" 1
225 1 35 VAL MG2 1 36 MET H 5.000 . 5.500 3.745 3.648 3.874 . 0 0 "[ . 1 . 2]" 1
226 1 35 VAL H 1 36 MET H 3.300 . 3.800 2.778 2.584 2.903 . 0 0 "[ . 1 . 2]" 1
227 1 36 MET H 1 36 MET HA 2.700 . 3.200 2.844 2.830 2.853 . 0 0 "[ . 1 . 2]" 1
228 1 36 MET H 1 36 MET QB 2.700 . 3.200 2.313 2.273 2.386 . 0 0 "[ . 1 . 2]" 1
229 1 36 MET H 1 36 MET QG 2.700 . 3.200 2.101 1.962 2.195 . 0 0 "[ . 1 . 2]" 1
230 1 36 MET HA 1 37 ARG H 3.300 . 3.800 3.529 3.477 3.589 . 0 0 "[ . 1 . 2]" 1
231 1 36 MET H 1 37 ARG H 3.300 . 3.800 2.724 2.665 2.804 . 0 0 "[ . 1 . 2]" 1
232 1 37 ARG H 1 37 ARG HB2 2.700 . 3.200 2.262 2.052 2.607 . 0 0 "[ . 1 . 2]" 1
233 1 35 VAL HA 1 38 SER H 3.300 . 3.800 3.673 3.505 3.869 0.069 13 0 "[ . 1 . 2]" 1
234 1 35 VAL MG1 1 38 SER H 6.000 . 6.500 4.763 4.560 4.992 . 0 0 "[ . 1 . 2]" 1
235 1 37 ARG HA 1 38 SER H 3.300 . 3.800 3.559 3.538 3.580 . 0 0 "[ . 1 . 2]" 1
236 1 37 ARG HB3 1 38 SER H 2.700 . 3.200 2.600 2.230 3.442 0.242 16 0 "[ . 1 . 2]" 1
237 1 37 ARG HB2 1 38 SER H 4.000 . 4.500 3.303 2.295 3.816 . 0 0 "[ . 1 . 2]" 1
238 1 37 ARG H 1 38 SER H 2.700 . 3.200 2.699 2.622 2.808 . 0 0 "[ . 1 . 2]" 1
239 1 38 SER H 1 38 SER HA 2.700 . 3.200 2.883 2.835 2.911 . 0 0 "[ . 1 . 2]" 1
240 1 38 SER H 1 38 SER HB3 2.700 . 3.200 2.410 2.146 2.757 . 0 0 "[ . 1 . 2]" 1
241 1 38 SER H 1 38 SER HB2 2.700 . 3.200 2.603 2.184 3.470 0.270 17 0 "[ . 1 . 2]" 1
242 1 35 VAL HA 1 39 LEU H 6.000 . 6.500 4.884 4.488 5.648 . 0 0 "[ . 1 . 2]" 1
243 1 37 ARG HA 1 39 LEU H 6.000 . 6.500 4.045 3.872 4.170 . 0 0 "[ . 1 . 2]" 1
244 1 38 SER HB3 1 39 LEU H 3.300 . 3.800 3.182 2.867 3.908 0.108 3 0 "[ . 1 . 2]" 1
245 1 38 SER HB2 1 39 LEU H 4.000 . 4.500 4.121 3.949 4.269 . 0 0 "[ . 1 . 2]" 1
246 1 38 SER H 1 39 LEU H 2.700 . 3.200 2.628 2.509 2.762 . 0 0 "[ . 1 . 2]" 1
247 1 39 LEU H 1 39 LEU HA 2.700 . 3.200 2.954 2.930 2.978 . 0 0 "[ . 1 . 2]" 1
248 1 39 LEU H 1 39 LEU HB3 3.300 . 3.800 3.058 2.383 3.550 . 0 0 "[ . 1 . 2]" 1
249 1 39 LEU H 1 39 LEU HB2 2.700 . 3.200 2.285 2.028 2.585 . 0 0 "[ . 1 . 2]" 1
250 1 39 LEU H 1 39 LEU MD1 5.000 . 5.500 3.706 2.478 4.111 . 0 0 "[ . 1 . 2]" 1
251 1 37 ARG HA 1 40 GLY H 6.000 . 6.500 3.558 3.245 3.730 . 0 0 "[ . 1 . 2]" 1
252 1 39 LEU HA 1 40 GLY H 3.300 . 3.800 3.472 3.365 3.532 . 0 0 "[ . 1 . 2]" 1
253 1 39 LEU HB3 1 40 GLY H 3.300 . 3.800 3.433 2.625 4.095 0.295 13 0 "[ . 1 . 2]" 1
254 1 39 LEU HB2 1 40 GLY H 3.300 . 3.800 3.499 2.942 3.950 0.150 16 0 "[ . 1 . 2]" 1
255 1 39 LEU H 1 40 GLY H 2.700 . 3.200 2.318 2.238 2.382 . 0 0 "[ . 1 . 2]" 1
256 1 40 GLY H 1 40 GLY HA3 2.700 . 3.200 2.879 2.864 2.895 . 0 0 "[ . 1 . 2]" 1
257 1 40 GLY H 1 40 GLY HA2 2.700 . 3.200 2.799 2.784 2.809 . 0 0 "[ . 1 . 2]" 1
258 1 37 ARG HA 1 41 GLN H 2.700 . 3.200 3.303 3.209 3.433 0.233 2 0 "[ . 1 . 2]" 1
259 1 40 GLY H 1 41 GLN H 2.700 . 3.200 2.466 1.968 2.938 . 0 0 "[ . 1 . 2]" 1
260 1 41 GLN H 1 41 GLN HA 2.700 . 3.200 2.930 2.900 2.972 . 0 0 "[ . 1 . 2]" 1
261 1 41 GLN H 1 41 GLN HB3 2.700 . 3.200 3.178 2.796 3.371 0.171 4 0 "[ . 1 . 2]" 1
262 1 37 ARG HA 1 42 ASN H 2.700 . 3.200 3.395 3.203 3.508 0.308 3 0 "[ . 1 . 2]" 1
263 1 37 ARG HB2 1 42 ASN H 6.000 . 6.500 4.853 4.316 5.986 . 0 0 "[ . 1 . 2]" 1
264 1 41 GLN HA 1 42 ASN H 2.700 . 3.200 2.405 2.265 2.507 . 0 0 "[ . 1 . 2]" 1
265 1 41 GLN HB3 1 42 ASN H 3.300 . 3.800 3.775 3.599 3.858 0.058 9 0 "[ . 1 . 2]" 1
266 1 41 GLN HB2 1 42 ASN H 3.300 . 3.800 2.944 2.299 3.961 0.161 7 0 "[ . 1 . 2]" 1
267 1 41 GLN HG3 1 42 ASN H 2.700 . 3.200 3.072 2.360 3.459 0.259 3 0 "[ . 1 . 2]" 1
268 1 41 GLN H 1 42 ASN H 6.000 . 6.500 4.384 4.351 4.408 . 0 0 "[ . 1 . 2]" 1
269 1 42 ASN H 1 42 ASN HB3 3.300 . 3.800 2.597 2.279 2.982 . 0 0 "[ . 1 . 2]" 1
270 1 42 ASN H 1 42 ASN HB2 3.300 . 3.800 3.092 2.710 3.710 . 0 0 "[ . 1 . 2]" 1
271 1 42 ASN H 1 43 PRO HD3 6.000 . 6.500 4.682 4.196 5.096 . 0 0 "[ . 1 . 2]" 1
272 1 42 ASN H 1 43 PRO HD2 5.000 . 5.500 4.788 4.538 4.941 . 0 0 "[ . 1 . 2]" 1
273 1 44 THR H 1 48 LEU MD1 6.000 . 6.500 3.599 3.129 4.529 . 0 0 "[ . 1 . 2]" 1
274 1 43 PRO HA 1 44 THR H 2.700 . 3.200 3.020 2.959 3.119 . 0 0 "[ . 1 . 2]" 1
275 1 43 PRO HB2 1 44 THR H 3.300 . 3.800 1.789 1.763 1.826 0.037 12 0 "[ . 1 . 2]" 1
276 1 43 PRO HG2 1 44 THR H 2.700 . 3.200 3.400 3.294 3.489 0.289 6 0 "[ . 1 . 2]" 1
277 1 44 THR H 1 44 THR HA 2.700 . 3.200 2.990 2.984 2.996 . 0 0 "[ . 1 . 2]" 1
278 1 44 THR H 1 44 THR HB 4.000 . 4.500 3.640 2.976 3.806 . 0 0 "[ . 1 . 2]" 1
279 1 44 THR H 1 47 GLU HA 5.000 . 5.500 5.368 4.920 5.533 0.033 13 0 "[ . 1 . 2]" 1
280 1 44 THR HA 1 45 GLU H 2.700 . 3.200 2.300 2.213 2.421 . 0 0 "[ . 1 . 2]" 1
281 1 44 THR HB 1 45 GLU H 2.700 . 3.200 2.961 2.539 3.355 0.155 10 0 "[ . 1 . 2]" 1
282 1 45 GLU H 1 46 ALA MB 6.000 . 6.500 4.407 4.318 4.508 . 0 0 "[ . 1 . 2]" 1
283 1 45 GLU H 1 45 GLU HA 2.700 . 3.200 2.792 2.762 2.828 . 0 0 "[ . 1 . 2]" 1
284 1 45 GLU H 1 45 GLU HB3 2.700 . 3.200 3.380 2.354 3.502 0.302 1 0 "[ . 1 . 2]" 1
285 1 45 GLU H 1 45 GLU HB2 2.700 . 3.200 2.461 2.314 3.511 0.311 4 0 "[ . 1 . 2]" 1
286 1 45 GLU H 1 45 GLU HG3 2.700 . 3.200 2.310 1.969 3.312 0.112 18 0 "[ . 1 . 2]" 1
287 1 45 GLU H 1 45 GLU HG2 2.700 . 3.200 2.961 1.995 3.304 0.104 9 0 "[ . 1 . 2]" 1
288 1 44 THR HA 1 46 ALA H 5.000 . 5.500 4.041 3.923 4.383 . 0 0 "[ . 1 . 2]" 1
289 1 44 THR HB 1 46 ALA H 2.700 . 3.200 2.691 2.483 2.914 . 0 0 "[ . 1 . 2]" 1
290 1 45 GLU HA 1 46 ALA H 3.300 . 3.800 3.504 3.479 3.554 . 0 0 "[ . 1 . 2]" 1
291 1 45 GLU HB3 1 46 ALA H 6.000 . 6.500 3.871 3.674 4.127 . 0 0 "[ . 1 . 2]" 1
292 1 45 GLU HB2 1 46 ALA H 6.000 . 6.500 3.052 2.696 4.028 . 0 0 "[ . 1 . 2]" 1
293 1 46 ALA H 1 47 GLU QG 6.000 . 6.500 5.675 4.130 6.157 . 0 0 "[ . 1 . 2]" 1
294 1 45 GLU H 1 46 ALA H 2.700 . 3.200 2.860 2.800 2.951 . 0 0 "[ . 1 . 2]" 1
295 1 46 ALA H 1 46 ALA HA 2.700 . 3.200 2.924 2.920 2.932 . 0 0 "[ . 1 . 2]" 1
296 1 46 ALA H 1 46 ALA MB 2.700 . 3.200 2.081 1.974 2.182 . 0 0 "[ . 1 . 2]" 1
297 1 44 THR H 1 47 GLU QB 6.000 . 6.500 2.424 1.916 2.645 . 0 0 "[ . 1 . 2]" 1
298 1 44 THR H 1 47 GLU QG 6.000 . 6.500 4.181 3.642 4.504 . 0 0 "[ . 1 . 2]" 1
299 1 44 THR HB 1 47 GLU H 3.300 . 3.800 3.583 2.687 3.907 0.107 20 0 "[ . 1 . 2]" 1
300 1 44 THR H 1 47 GLU H 3.300 . 3.800 3.713 3.473 3.890 0.090 13 0 "[ . 1 . 2]" 1
301 1 45 GLU H 1 47 GLU H 6.000 . 6.500 4.778 4.360 4.909 . 0 0 "[ . 1 . 2]" 1
302 1 46 ALA MB 1 47 GLU H 2.700 . 3.200 2.107 1.981 2.354 . 0 0 "[ . 1 . 2]" 1
303 1 46 ALA H 1 47 GLU H 2.700 . 3.200 2.592 2.411 2.647 . 0 0 "[ . 1 . 2]" 1
304 1 47 GLU H 1 47 GLU HA 2.700 . 3.200 2.884 2.872 2.900 . 0 0 "[ . 1 . 2]" 1
305 1 47 GLU H 1 47 GLU HB3 2.700 . 3.200 2.726 2.403 3.513 0.313 11 0 "[ . 1 . 2]" 1
306 1 44 THR H 1 48 LEU HB2 6.000 . 6.500 4.503 4.140 5.220 . 0 0 "[ . 1 . 2]" 1
307 1 44 THR H 1 48 LEU H 6.000 . 6.500 3.355 3.045 3.843 . 0 0 "[ . 1 . 2]" 1
308 1 45 GLU H 1 48 LEU HB2 6.000 . 6.500 4.205 4.005 4.620 . 0 0 "[ . 1 . 2]" 1
309 1 45 GLU H 1 48 LEU MD1 6.000 . 6.500 3.238 2.931 3.689 . 0 0 "[ . 1 . 2]" 1
310 1 47 GLU HA 1 48 LEU H 6.000 . 6.500 3.538 3.516 3.552 . 0 0 "[ . 1 . 2]" 1
311 1 46 ALA H 1 48 LEU HB2 6.000 . 6.500 4.233 4.078 4.581 . 0 0 "[ . 1 . 2]" 1
312 1 46 ALA MB 1 48 LEU H 6.000 . 6.500 4.190 4.099 4.436 . 0 0 "[ . 1 . 2]" 1
313 1 47 GLU H 1 48 LEU HB2 5.000 . 5.500 4.393 4.293 4.605 . 0 0 "[ . 1 . 2]" 1
314 1 47 GLU H 1 48 LEU MD1 6.000 . 6.500 5.101 4.928 5.329 . 0 0 "[ . 1 . 2]" 1
315 1 47 GLU H 1 48 LEU H 2.700 . 3.200 2.631 2.575 2.688 . 0 0 "[ . 1 . 2]" 1
316 1 48 LEU H 1 48 LEU HG 2.700 . 3.200 2.661 2.212 3.142 . 0 0 "[ . 1 . 2]" 1
317 1 48 LEU H 1 48 LEU HB2 3.300 . 3.800 2.128 1.994 2.304 . 0 0 "[ . 1 . 2]" 1
318 1 48 LEU H 1 48 LEU MD1 5.000 . 5.500 3.455 3.270 3.604 . 0 0 "[ . 1 . 2]" 1
319 1 29 THR MG 1 49 GLN H 6.000 . 6.500 3.529 2.921 3.995 . 0 0 "[ . 1 . 2]" 1
320 1 46 ALA HA 1 49 GLN H 3.300 . 3.800 3.856 3.774 3.936 0.136 6 0 "[ . 1 . 2]" 1
321 1 48 LEU HA 1 49 GLN H 3.300 . 3.800 3.525 3.508 3.543 . 0 0 "[ . 1 . 2]" 1
322 1 48 LEU HB3 1 49 GLN H 2.700 . 3.200 3.334 3.128 3.524 0.324 13 0 "[ . 1 . 2]" 1
323 1 48 LEU HB2 1 49 GLN H 2.700 . 3.200 2.747 2.591 2.948 . 0 0 "[ . 1 . 2]" 1
324 1 48 LEU HG 1 49 GLN H 5.000 . 5.500 4.622 4.349 4.844 . 0 0 "[ . 1 . 2]" 1
325 1 48 LEU H 1 49 GLN H 3.300 . 3.800 2.678 2.637 2.716 . 0 0 "[ . 1 . 2]" 1
326 1 49 GLN H 1 49 GLN HA 2.700 . 3.200 2.879 2.860 2.899 . 0 0 "[ . 1 . 2]" 1
327 1 49 GLN H 1 49 GLN HB3 2.700 . 3.200 2.675 2.536 3.323 0.123 12 0 "[ . 1 . 2]" 1
328 1 49 GLN H 1 49 GLN HB2 2.700 . 3.200 2.276 1.987 2.400 . 0 0 "[ . 1 . 2]" 1
329 1 49 GLN H 1 49 GLN HG3 5.000 . 5.500 4.339 3.292 4.503 . 0 0 "[ . 1 . 2]" 1
330 1 49 GLN H 1 49 GLN HG2 5.000 . 5.500 4.319 3.871 4.378 . 0 0 "[ . 1 . 2]" 1
331 1 50 ASP H 1 52 ILE HG13 6.000 . 6.500 5.980 5.375 6.519 0.019 9 0 "[ . 1 . 2]" 1
332 1 47 GLU HA 1 50 ASP H 6.000 . 6.500 3.301 3.125 3.397 . 0 0 "[ . 1 . 2]" 1
333 1 48 LEU HA 1 50 ASP H 6.000 . 6.500 4.406 4.298 4.531 . 0 0 "[ . 1 . 2]" 1
334 1 49 GLN HA 1 50 ASP H 3.300 . 3.800 3.559 3.532 3.577 . 0 0 "[ . 1 . 2]" 1
335 1 49 GLN HB3 1 50 ASP H 2.700 . 3.200 2.663 2.514 3.321 0.121 12 0 "[ . 1 . 2]" 1
336 1 49 GLN HB2 1 50 ASP H 3.300 . 3.800 3.729 3.168 3.849 0.049 5 0 "[ . 1 . 2]" 1
337 1 49 GLN HG2 1 50 ASP H 6.000 . 6.500 4.420 4.213 4.983 . 0 0 "[ . 1 . 2]" 1
338 1 49 GLN H 1 50 ASP H 2.700 . 3.200 2.680 2.578 2.758 . 0 0 "[ . 1 . 2]" 1
339 1 50 ASP H 1 50 ASP HA 2.700 . 3.200 2.880 2.866 2.898 . 0 0 "[ . 1 . 2]" 1
340 1 50 ASP H 1 50 ASP HB3 2.700 . 3.200 2.634 2.493 3.431 0.231 5 0 "[ . 1 . 2]" 1
341 1 50 ASP H 1 50 ASP HB2 2.700 . 3.200 2.289 2.090 2.400 . 0 0 "[ . 1 . 2]" 1
342 1 51 MET H 1 52 ILE QG 6.000 . 6.500 4.158 3.977 4.439 . 0 0 "[ . 1 . 2]" 1
343 1 51 MET H 1 52 ILE MD 6.000 . 6.500 5.111 4.788 5.296 . 0 0 "[ . 1 . 2]" 1
344 1 48 LEU HA 1 51 MET H 3.300 . 3.800 3.695 3.537 3.854 0.054 6 0 "[ . 1 . 2]" 1
345 1 48 LEU HG 1 51 MET H 6.000 . 6.500 6.136 5.946 6.352 . 0 0 "[ . 1 . 2]" 1
346 1 50 ASP HA 1 51 MET H 3.300 . 3.800 3.538 3.508 3.559 . 0 0 "[ . 1 . 2]" 1
347 1 50 ASP HB3 1 51 MET H 2.700 . 3.200 2.552 2.369 3.228 0.028 5 0 "[ . 1 . 2]" 1
348 1 50 ASP HB2 1 51 MET H 5.000 . 5.500 3.648 2.532 3.784 . 0 0 "[ . 1 . 2]" 1
349 1 51 MET H 1 51 MET HA 2.700 . 3.200 2.867 2.854 2.885 . 0 0 "[ . 1 . 2]" 1
350 1 51 MET H 1 51 MET HG3 2.700 . 3.200 2.317 1.979 3.346 0.146 1 0 "[ . 1 . 2]" 1
351 1 51 MET H 1 51 MET HG2 2.700 . 3.200 3.042 1.935 3.373 0.173 17 0 "[ . 1 . 2]" 1
352 1 29 THR H 1 52 ILE MD 3.300 . 3.800 3.301 2.582 3.843 0.043 16 0 "[ . 1 . 2]" 1
353 1 52 ILE H 1 63 ILE MD 6.000 . 6.500 4.843 4.391 5.996 . 0 0 "[ . 1 . 2]" 1
354 1 49 GLN HA 1 52 ILE H 6.000 . 6.500 3.682 3.513 3.757 . 0 0 "[ . 1 . 2]" 1
355 1 49 GLN H 1 52 ILE H 5.000 . 5.500 5.058 4.947 5.197 . 0 0 "[ . 1 . 2]" 1
356 1 51 MET HA 1 52 ILE H 3.300 . 3.800 3.551 3.534 3.565 . 0 0 "[ . 1 . 2]" 1
357 1 51 MET HB3 1 52 ILE H 6.000 . 6.500 3.511 3.409 3.919 . 0 0 "[ . 1 . 2]" 1
358 1 51 MET HB2 1 52 ILE H 6.000 . 6.500 2.506 2.371 3.711 . 0 0 "[ . 1 . 2]" 1
359 1 52 ILE H 1 52 ILE HA 2.700 . 3.200 2.881 2.869 2.893 . 0 0 "[ . 1 . 2]" 1
360 1 52 ILE H 1 52 ILE HB 2.700 . 3.200 2.347 2.267 2.387 . 0 0 "[ . 1 . 2]" 1
361 1 52 ILE H 1 52 ILE HG13 2.700 . 3.200 2.700 2.023 3.423 0.223 9 0 "[ . 1 . 2]" 1
362 1 52 ILE H 1 52 ILE HG12 3.300 . 3.800 2.805 1.962 3.559 . 0 0 "[ . 1 . 2]" 1
363 1 50 ASP HA 1 53 ASN H 2.700 . 3.200 3.371 3.308 3.443 0.243 4 0 "[ . 1 . 2]" 1
364 1 52 ILE HA 1 53 ASN H 3.300 . 3.800 3.548 3.529 3.572 . 0 0 "[ . 1 . 2]" 1
365 1 52 ILE HB 1 53 ASN H 2.700 . 3.200 2.703 2.545 2.815 . 0 0 "[ . 1 . 2]" 1
366 1 52 ILE HG13 1 53 ASN H 6.000 . 6.500 4.598 4.236 4.962 . 0 0 "[ . 1 . 2]" 1
367 1 52 ILE HG12 1 53 ASN H 6.000 . 6.500 4.682 4.171 5.125 . 0 0 "[ . 1 . 2]" 1
368 1 52 ILE MG 1 53 ASN H 6.000 . 6.500 3.562 3.489 3.634 . 0 0 "[ . 1 . 2]" 1
369 1 52 ILE H 1 53 ASN H 2.700 . 3.200 2.623 2.548 2.668 . 0 0 "[ . 1 . 2]" 1
370 1 53 ASN H 1 53 ASN HA 2.700 . 3.200 2.842 2.825 2.853 . 0 0 "[ . 1 . 2]" 1
371 1 53 ASN H 1 53 ASN HB3 4.000 . 4.500 2.741 2.433 3.531 . 0 0 "[ . 1 . 2]" 1
372 1 53 ASN H 1 53 ASN HB2 2.700 . 3.200 2.372 2.220 2.450 . 0 0 "[ . 1 . 2]" 1
373 1 54 GLU H 1 55 VAL MG1 6.000 . 6.500 5.840 5.784 5.912 . 0 0 "[ . 1 . 2]" 1
374 1 53 ASN HA 1 54 GLU H 3.300 . 3.800 3.595 3.564 3.619 . 0 0 "[ . 1 . 2]" 1
375 1 53 ASN HB3 1 54 GLU H 3.300 . 3.800 2.785 2.345 3.573 . 0 0 "[ . 1 . 2]" 1
376 1 53 ASN H 1 54 GLU H 2.700 . 3.200 2.828 2.758 2.910 . 0 0 "[ . 1 . 2]" 1
377 1 54 GLU H 1 54 GLU HA 2.700 . 3.200 2.881 2.859 2.892 . 0 0 "[ . 1 . 2]" 1
378 1 54 GLU H 1 54 GLU HB3 2.700 . 3.200 2.749 2.365 3.489 0.289 2 0 "[ . 1 . 2]" 1
379 1 54 GLU H 1 54 GLU HB2 2.700 . 3.200 2.435 2.228 3.510 0.310 4 0 "[ . 1 . 2]" 1
380 1 54 GLU HA 1 55 VAL H 3.300 . 3.800 3.509 3.496 3.526 . 0 0 "[ . 1 . 2]" 1
381 1 54 GLU HB3 1 55 VAL H 3.300 . 3.800 3.174 2.762 3.986 0.186 4 0 "[ . 1 . 2]" 1
382 1 54 GLU H 1 55 VAL H 2.700 . 3.200 2.581 2.514 2.627 . 0 0 "[ . 1 . 2]" 1
383 1 55 VAL H 1 55 VAL HB 2.700 . 3.200 2.406 2.331 2.562 . 0 0 "[ . 1 . 2]" 1
384 1 55 VAL H 1 55 VAL MG2 3.300 . 3.800 2.408 2.225 2.544 . 0 0 "[ . 1 . 2]" 1
385 1 52 ILE MG 1 56 ASP H 6.000 . 6.500 3.866 3.682 4.117 . 0 0 "[ . 1 . 2]" 1
386 1 54 GLU QB 1 56 ASP H 5.000 . 5.500 4.631 4.560 4.987 . 0 0 "[ . 1 . 2]" 1
387 1 54 GLU HG3 1 55 VAL H 6.000 . 6.500 4.603 2.302 5.184 . 0 0 "[ . 1 . 2]" 1
388 1 55 VAL HA 1 56 ASP H 3.300 . 3.800 3.430 3.408 3.456 . 0 0 "[ . 1 . 2]" 1
389 1 55 VAL HB 1 56 ASP H 3.300 . 3.800 3.300 3.202 3.360 . 0 0 "[ . 1 . 2]" 1
390 1 55 VAL MG1 1 56 ASP H 4.000 . 4.500 3.963 3.893 4.085 . 0 0 "[ . 1 . 2]" 1
391 1 55 VAL MG2 1 56 ASP H 6.000 . 6.500 4.069 3.987 4.115 . 0 0 "[ . 1 . 2]" 1
392 1 55 VAL H 1 56 ASP H 2.700 . 3.200 2.294 2.226 2.371 . 0 0 "[ . 1 . 2]" 1
393 1 56 ASP H 1 56 ASP HA 2.700 . 3.200 2.889 2.867 2.907 . 0 0 "[ . 1 . 2]" 1
394 1 56 ASP H 1 56 ASP HB3 2.700 . 3.200 3.409 3.292 3.461 0.261 5 0 "[ . 1 . 2]" 1
395 1 56 ASP H 1 56 ASP HB2 2.700 . 3.200 2.066 1.984 2.142 . 0 0 "[ . 1 . 2]" 1
396 1 55 VAL HB 1 57 ALA H 6.000 . 6.500 5.704 5.549 5.926 . 0 0 "[ . 1 . 2]" 1
397 1 55 VAL MG1 1 57 ALA H 6.000 . 6.500 4.236 4.047 4.435 . 0 0 "[ . 1 . 2]" 1
398 1 56 ASP HA 1 57 ALA H 2.700 . 3.200 2.262 2.212 2.304 . 0 0 "[ . 1 . 2]" 1
399 1 56 ASP HB3 1 57 ALA H 3.300 . 3.800 3.964 3.874 4.031 0.231 3 0 "[ . 1 . 2]" 1
400 1 56 ASP HB2 1 57 ALA H 6.000 . 6.500 4.591 4.555 4.655 . 0 0 "[ . 1 . 2]" 1
401 1 56 ASP H 1 57 ALA H 6.000 . 6.500 4.306 4.220 4.397 . 0 0 "[ . 1 . 2]" 1
402 1 57 ALA H 1 57 ALA HA 2.700 . 3.200 2.891 2.869 2.971 . 0 0 "[ . 1 . 2]" 1
403 1 57 ALA H 1 57 ALA MB 2.700 . 3.200 2.132 1.968 2.177 . 0 0 "[ . 1 . 2]" 1
404 1 56 ASP HA 1 58 ASP H 6.000 . 6.500 3.621 3.414 3.791 . 0 0 "[ . 1 . 2]" 1
405 1 56 ASP HB3 1 58 ASP H 3.300 . 3.800 3.868 3.797 3.945 0.145 2 0 "[ . 1 . 2]" 1
406 1 57 ALA H 1 67 GLU HG3 3.300 . 3.800 3.744 2.703 3.918 0.118 11 0 "[ . 1 . 2]" 1
407 1 57 ALA HA 1 58 ASP H 3.300 . 3.800 3.546 3.487 3.564 . 0 0 "[ . 1 . 2]" 1
408 1 57 ALA MB 1 58 ASP H 5.000 . 5.500 2.535 2.421 2.909 . 0 0 "[ . 1 . 2]" 1
409 1 58 ASP H 1 58 ASP HA 2.700 . 3.200 2.953 2.887 2.976 . 0 0 "[ . 1 . 2]" 1
410 1 58 ASP H 1 58 ASP HB3 2.700 . 3.200 2.732 2.623 3.502 0.302 6 0 "[ . 1 . 2]" 1
411 1 58 ASP H 1 58 ASP HB2 3.300 . 3.800 3.466 2.375 3.611 . 0 0 "[ . 1 . 2]" 1
412 1 57 ALA MB 1 59 GLY H 6.000 . 6.500 4.380 4.302 4.752 . 0 0 "[ . 1 . 2]" 1
413 1 58 ASP H 1 59 GLY HA3 6.000 . 6.500 5.009 4.936 5.178 . 0 0 "[ . 1 . 2]" 1
414 1 58 ASP H 1 59 GLY HA2 6.000 . 6.500 4.649 4.558 4.861 . 0 0 "[ . 1 . 2]" 1
415 1 58 ASP HA 1 59 GLY H 3.300 . 3.800 3.513 3.479 3.560 . 0 0 "[ . 1 . 2]" 1
416 1 58 ASP HB3 1 59 GLY H 3.300 . 3.800 3.944 3.597 4.036 0.236 18 0 "[ . 1 . 2]" 1
417 1 58 ASP HB2 1 59 GLY H 6.000 . 6.500 3.752 2.444 4.037 . 0 0 "[ . 1 . 2]" 1
418 1 58 ASP H 1 59 GLY H 2.700 . 3.200 2.307 2.201 2.557 . 0 0 "[ . 1 . 2]" 1
419 1 59 GLY H 1 59 GLY HA3 2.700 . 3.200 2.946 2.927 2.971 . 0 0 "[ . 1 . 2]" 1
420 1 59 GLY H 1 59 GLY HA2 2.700 . 3.200 2.399 2.380 2.426 . 0 0 "[ . 1 . 2]" 1
421 1 58 ASP HA 1 60 ASN H 5.000 . 5.500 4.697 4.234 4.794 . 0 0 "[ . 1 . 2]" 1
422 1 58 ASP HB3 1 60 ASN H 4.000 . 4.500 4.348 2.880 4.532 0.032 13 0 "[ . 1 . 2]" 1
423 1 58 ASP HB2 1 60 ASN H 6.000 . 6.500 3.665 2.368 3.869 . 0 0 "[ . 1 . 2]" 1
424 1 59 GLY HA3 1 60 ASN H 2.700 . 3.200 3.435 3.276 3.466 0.266 5 0 "[ . 1 . 2]" 1
425 1 59 GLY HA2 1 60 ASN H 3.300 . 3.800 3.110 3.037 3.366 . 0 0 "[ . 1 . 2]" 1
426 1 59 GLY H 1 60 ASN H 2.700 . 3.200 2.352 2.281 2.432 . 0 0 "[ . 1 . 2]" 1
427 1 60 ASN H 1 60 ASN HA 2.700 . 3.200 2.907 2.896 2.916 . 0 0 "[ . 1 . 2]" 1
428 1 60 ASN H 1 60 ASN HB3 2.700 . 3.200 2.530 2.502 2.553 . 0 0 "[ . 1 . 2]" 1
429 1 60 ASN H 1 60 ASN HD22 6.000 . 6.500 4.246 4.145 4.326 . 0 0 "[ . 1 . 2]" 1
430 1 52 ILE MG 1 61 GLY H 6.000 . 6.500 3.829 3.447 4.705 . 0 0 "[ . 1 . 2]" 1
431 1 59 GLY QA 1 61 GLY H 6.000 . 6.500 3.659 3.452 4.045 . 0 0 "[ . 1 . 2]" 1
432 1 59 GLY H 1 61 GLY H 6.000 . 6.500 3.977 3.597 4.149 . 0 0 "[ . 1 . 2]" 1
433 1 60 ASN H 1 61 GLY HA3 6.000 . 6.500 5.234 5.200 5.265 . 0 0 "[ . 1 . 2]" 1
434 1 60 ASN H 1 61 GLY HA2 6.000 . 6.500 4.906 4.871 4.939 . 0 0 "[ . 1 . 2]" 1
435 1 60 ASN HA 1 61 GLY H 3.300 . 3.800 3.535 3.486 3.573 . 0 0 "[ . 1 . 2]" 1
436 1 60 ASN HB3 1 61 GLY H 3.300 . 3.800 3.935 3.882 4.030 0.230 17 0 "[ . 1 . 2]" 1
437 1 60 ASN HB2 1 61 GLY H 3.300 . 3.800 3.786 3.674 3.914 0.114 17 0 "[ . 1 . 2]" 1
438 1 60 ASN H 1 61 GLY H 2.700 . 3.200 2.536 2.471 2.606 . 0 0 "[ . 1 . 2]" 1
439 1 61 GLY H 1 61 GLY HA3 2.700 . 3.200 2.989 2.983 2.992 . 0 0 "[ . 1 . 2]" 1
440 1 61 GLY H 1 61 GLY HA2 2.700 . 3.200 2.541 2.473 2.589 . 0 0 "[ . 1 . 2]" 1
441 1 27 ILE H 1 62 THR HB 6.000 . 6.500 3.988 3.615 4.378 . 0 0 "[ . 1 . 2]" 1
442 1 28 THR H 1 31 GLU HA 6.000 . 6.500 5.321 5.141 5.512 . 0 0 "[ . 1 . 2]" 1
443 1 28 THR HB 1 29 THR H 6.000 . 6.500 3.397 2.337 4.082 . 0 0 "[ . 1 . 2]" 1
444 1 29 THR H 1 48 LEU HB2 6.000 . 6.500 6.158 5.459 6.540 0.040 11 0 "[ . 1 . 2]" 1
445 1 52 ILE MG 1 62 THR H 6.000 . 6.500 3.490 3.192 4.124 . 0 0 "[ . 1 . 2]" 1
446 1 60 ASN HB3 1 62 THR H 6.000 . 6.500 4.551 4.431 4.746 . 0 0 "[ . 1 . 2]" 1
447 1 60 ASN HD22 1 62 THR H 6.000 . 6.500 2.749 2.548 3.030 . 0 0 "[ . 1 . 2]" 1
448 1 61 GLY HA3 1 62 THR H 2.700 . 3.200 3.324 3.261 3.390 0.190 2 0 "[ . 1 . 2]" 1
449 1 61 GLY HA2 1 62 THR H 3.300 . 3.800 3.320 3.252 3.385 . 0 0 "[ . 1 . 2]" 1
450 1 61 GLY H 1 62 THR H 2.700 . 3.200 2.073 1.952 2.264 . 0 0 "[ . 1 . 2]" 1
451 1 62 THR H 1 62 THR HA 2.700 . 3.200 2.994 2.989 3.000 . 0 0 "[ . 1 . 2]" 1
452 1 62 THR H 1 62 THR HB 3.300 . 3.800 3.809 3.761 3.839 0.039 16 0 "[ . 1 . 2]" 1
453 1 62 THR H 1 62 THR MG 3.300 . 3.800 2.859 2.777 2.978 . 0 0 "[ . 1 . 2]" 1
454 1 26 THR HB 1 63 ILE H 6.000 . 6.500 4.177 3.626 4.669 . 0 0 "[ . 1 . 2]" 1
455 1 27 ILE H 1 63 ILE HB 3.300 . 3.800 3.338 2.277 3.818 0.018 5 0 "[ . 1 . 2]" 1
456 1 27 ILE H 1 63 ILE H 3.300 . 3.800 3.367 2.974 3.799 . 0 0 "[ . 1 . 2]" 1
457 1 27 ILE HA 1 63 ILE H 6.000 . 6.500 5.518 5.026 6.021 . 0 0 "[ . 1 . 2]" 1
458 1 52 ILE MG 1 63 ILE H 6.000 . 6.500 3.580 2.859 3.960 . 0 0 "[ . 1 . 2]" 1
459 1 62 THR HA 1 63 ILE H 6.000 . 6.500 2.422 2.350 2.473 . 0 0 "[ . 1 . 2]" 1
460 1 62 THR HB 1 63 ILE H 2.700 . 3.200 2.487 2.406 2.679 . 0 0 "[ . 1 . 2]" 1
461 1 63 ILE H 1 63 ILE MD 5.000 . 5.500 3.756 3.623 3.866 . 0 0 "[ . 1 . 2]" 1
462 1 62 THR H 1 63 ILE H 5.000 . 5.500 4.464 4.440 4.488 . 0 0 "[ . 1 . 2]" 1
463 1 63 ILE H 1 63 ILE HB 2.700 . 3.200 2.599 2.547 2.666 . 0 0 "[ . 1 . 2]" 1
464 1 63 ILE H 1 63 ILE HG13 3.300 . 3.800 2.178 1.966 2.323 . 0 0 "[ . 1 . 2]" 1
465 1 63 ILE H 1 63 ILE HG12 2.700 . 3.200 3.217 2.995 3.283 0.083 8 0 "[ . 1 . 2]" 1
466 1 27 ILE H 1 64 ASP HA 6.000 . 6.500 4.414 3.919 5.096 . 0 0 "[ . 1 . 2]" 1
467 1 63 ILE HA 1 64 ASP H 2.700 . 3.200 2.199 2.160 2.426 . 0 0 "[ . 1 . 2]" 1
468 1 63 ILE HB 1 64 ASP H 4.000 2.800 4.500 4.179 3.372 4.261 . 0 0 "[ . 1 . 2]" 1
469 1 63 ILE QG 1 64 ASP H 6.000 . 6.500 4.410 4.178 4.488 . 0 0 "[ . 1 . 2]" 1
470 1 63 ILE MG 1 64 ASP H 3.300 . 3.800 2.806 1.874 2.973 . 0 0 "[ . 1 . 2]" 1
471 1 64 ASP H 1 64 ASP HB3 3.300 . 3.800 3.588 3.558 3.799 . 0 0 "[ . 1 . 2]" 1
472 1 64 ASP H 1 64 ASP HB2 3.300 . 3.800 2.316 2.259 2.690 . 0 0 "[ . 1 . 2]" 1
473 1 16 PHE HZ 1 65 PHE H 6.000 . 6.500 3.670 3.186 4.192 . 0 0 "[ . 1 . 2]" 1
474 1 26 THR MG 1 65 PHE H 6.000 . 6.500 4.461 4.045 4.799 . 0 0 "[ . 1 . 2]" 1
475 1 64 ASP HA 1 65 PHE H 2.700 . 3.200 2.453 2.308 2.501 . 0 0 "[ . 1 . 2]" 1
476 1 64 ASP HB3 1 65 PHE H 2.700 . 3.200 2.485 2.393 2.957 . 0 0 "[ . 1 . 2]" 1
477 1 65 PHE H 1 65 PHE HB3 4.000 . 4.500 3.000 2.547 3.472 . 0 0 "[ . 1 . 2]" 1
478 1 65 PHE H 1 65 PHE HB2 2.700 . 3.200 2.113 1.967 2.352 . 0 0 "[ . 1 . 2]" 1
479 1 16 PHE QE 1 65 PHE H 6.000 . 6.500 3.497 2.893 3.968 . 0 0 "[ . 1 . 2]" 1
480 1 64 ASP H 1 66 PRO QD 6.000 . 6.500 4.222 4.127 4.598 . 0 0 "[ . 1 . 2]" 1
481 1 65 PHE H 1 66 PRO QD 2.700 . 3.200 2.370 2.300 2.451 . 0 0 "[ . 1 . 2]" 1
482 1 65 PHE H 1 66 PRO HG2 6.000 . 6.500 4.693 4.595 4.806 . 0 0 "[ . 1 . 2]" 1
483 1 57 ALA H 1 67 GLU HA 6.000 . 6.500 4.661 4.323 4.967 . 0 0 "[ . 1 . 2]" 1
484 1 57 ALA H 1 67 GLU HG2 3.300 . 3.800 2.640 2.361 3.872 0.072 16 0 "[ . 1 . 2]" 1
485 1 67 GLU H 1 69 LEU QB 6.000 . 6.500 5.066 4.836 5.172 . 0 0 "[ . 1 . 2]" 1
486 1 64 ASP H 1 67 GLU HA 6.000 . 6.500 4.989 4.877 5.212 . 0 0 "[ . 1 . 2]" 1
487 1 64 ASP H 1 67 GLU HB3 6.000 . 6.500 3.213 2.018 3.593 . 0 0 "[ . 1 . 2]" 1
488 1 64 ASP H 1 67 GLU HB2 2.700 . 3.200 2.132 1.945 2.861 . 0 0 "[ . 1 . 2]" 1
489 1 65 PHE H 1 67 GLU H 6.000 . 6.500 4.340 4.167 4.440 . 0 0 "[ . 1 . 2]" 1
490 1 64 ASP H 1 67 GLU H 3.300 . 3.800 3.521 3.469 3.629 . 0 0 "[ . 1 . 2]" 1
491 1 66 PRO HB2 1 67 GLU H 3.300 . 3.800 3.327 3.240 3.435 . 0 0 "[ . 1 . 2]" 1
492 1 66 PRO QD 1 67 GLU H 6.000 . 6.500 2.685 2.551 2.828 . 0 0 "[ . 1 . 2]" 1
493 1 66 PRO HG3 1 67 GLU H 4.000 . 4.500 3.952 3.890 4.047 . 0 0 "[ . 1 . 2]" 1
494 1 66 PRO HG2 1 67 GLU H 3.300 . 3.800 2.440 2.329 2.600 . 0 0 "[ . 1 . 2]" 1
495 1 67 GLU H 1 67 GLU HA 2.700 . 3.200 2.904 2.898 2.915 . 0 0 "[ . 1 . 2]" 1
496 1 67 GLU H 1 67 GLU HB2 3.300 . 3.800 2.267 2.146 2.381 . 0 0 "[ . 1 . 2]" 1
497 1 67 GLU H 1 67 GLU HB3 3.300 . 3.800 3.421 2.519 3.533 . 0 0 "[ . 1 . 2]" 1
498 1 63 ILE HB 1 68 PHE H 5.000 . 5.500 5.354 4.950 5.571 0.071 10 0 "[ . 1 . 2]" 1
499 1 63 ILE MG 1 68 PHE H 3.300 . 3.800 2.800 2.484 3.013 . 0 0 "[ . 1 . 2]" 1
500 1 64 ASP H 1 68 PHE H 6.000 . 6.500 3.933 3.063 4.131 . 0 0 "[ . 1 . 2]" 1
501 1 65 PHE HA 1 68 PHE H 6.000 . 6.500 3.795 3.659 3.969 . 0 0 "[ . 1 . 2]" 1
502 1 67 GLU HA 1 68 PHE H 3.300 . 3.800 3.551 3.533 3.573 . 0 0 "[ . 1 . 2]" 1
503 1 67 GLU HB2 1 68 PHE H 3.300 . 3.800 2.685 2.516 3.743 . 0 0 "[ . 1 . 2]" 1
504 1 67 GLU H 1 68 PHE H 2.700 . 3.200 2.563 2.522 2.607 . 0 0 "[ . 1 . 2]" 1
505 1 68 PHE H 1 68 PHE HA 2.700 . 3.200 2.856 2.842 2.871 . 0 0 "[ . 1 . 2]" 1
506 1 68 PHE H 1 68 PHE HB3 2.700 . 3.200 2.463 2.402 2.529 . 0 0 "[ . 1 . 2]" 1
507 1 68 PHE H 1 68 PHE HB2 2.700 . 3.200 2.416 2.362 2.474 . 0 0 "[ . 1 . 2]" 1
508 1 68 PHE H 1 68 PHE QD 5.000 . 5.500 4.139 4.125 4.152 . 0 0 "[ . 1 . 2]" 1
509 1 68 PHE HA 1 69 LEU H 6.000 . 6.500 3.572 3.551 3.593 . 0 0 "[ . 1 . 2]" 1
510 1 68 PHE HD1 1 69 LEU H 6.000 . 6.500 4.040 3.025 5.633 . 0 0 "[ . 1 . 2]" 1
511 1 68 PHE HD2 1 69 LEU H 6.000 . 6.500 4.792 3.018 5.678 . 0 0 "[ . 1 . 2]" 1
512 1 69 LEU H 1 69 LEU HA 2.700 . 3.200 2.865 2.834 2.884 . 0 0 "[ . 1 . 2]" 1
513 1 69 LEU H 1 69 LEU HB3 3.300 . 3.800 3.459 2.752 3.533 . 0 0 "[ . 1 . 2]" 1
514 1 69 LEU H 1 69 LEU HB2 2.700 . 3.200 2.230 2.032 2.365 . 0 0 "[ . 1 . 2]" 1
515 1 69 LEU H 1 69 LEU HG 3.300 . 3.800 2.736 2.056 4.125 0.325 8 0 "[ . 1 . 2]" 1
516 1 69 LEU HA 1 70 THR H 6.000 . 6.500 3.571 3.550 3.588 . 0 0 "[ . 1 . 2]" 1
517 1 69 LEU HB3 1 70 THR H 6.000 . 6.500 3.378 2.490 3.588 . 0 0 "[ . 1 . 2]" 1
518 1 69 LEU HB2 1 70 THR H 6.000 . 6.500 2.688 2.528 3.579 . 0 0 "[ . 1 . 2]" 1
519 1 69 LEU MD1 1 70 THR H 6.000 . 6.500 4.402 4.111 4.707 . 0 0 "[ . 1 . 2]" 1
520 1 69 LEU H 1 70 THR H 3.300 . 3.800 2.751 2.688 2.836 . 0 0 "[ . 1 . 2]" 1
521 1 70 THR H 1 70 THR HA 2.700 . 3.200 2.849 2.835 2.867 . 0 0 "[ . 1 . 2]" 1
522 1 70 THR H 1 70 THR HB 2.700 . 3.200 3.235 2.404 3.525 0.325 12 0 "[ . 1 . 2]" 1
523 1 70 THR H 1 70 THR MG 2.700 . 3.200 2.474 1.948 3.677 0.477 6 0 "[ . 1 . 2]" 1
524 1 68 PHE HA 1 71 MET H 6.000 . 6.500 3.829 3.623 4.101 . 0 0 "[ . 1 . 2]" 1
525 1 70 THR HA 1 71 MET H 3.300 . 3.800 3.557 3.520 3.574 . 0 0 "[ . 1 . 2]" 1
526 1 70 THR HB 1 71 MET H 3.300 . 3.800 3.330 2.424 3.988 0.188 9 0 "[ . 1 . 2]" 1
527 1 70 THR MG 1 71 MET H 6.000 . 6.500 3.698 1.946 4.044 . 0 0 "[ . 1 . 2]" 1
528 1 70 THR H 1 71 MET H 3.300 . 3.800 2.744 2.619 2.838 . 0 0 "[ . 1 . 2]" 1
529 1 71 MET H 1 71 MET HA 2.700 . 3.200 2.878 2.852 2.888 . 0 0 "[ . 1 . 2]" 1
530 1 71 MET H 1 71 MET HB3 2.700 . 3.200 2.484 2.397 2.771 . 0 0 "[ . 1 . 2]" 1
531 1 71 MET H 1 71 MET HB2 2.700 . 3.200 2.410 2.165 2.466 . 0 0 "[ . 1 . 2]" 1
532 1 69 LEU HA 1 72 MET H 3.300 . 3.800 3.661 3.493 3.796 . 0 0 "[ . 1 . 2]" 1
533 1 71 MET H 1 72 MET H 3.300 . 3.800 2.735 2.628 2.863 . 0 0 "[ . 1 . 2]" 1
534 1 72 MET H 1 72 MET HA 2.700 . 3.200 2.848 2.838 2.882 . 0 0 "[ . 1 . 2]" 1
535 1 72 MET H 1 72 MET HB3 2.700 . 3.200 2.755 2.438 3.503 0.303 10 0 "[ . 1 . 2]" 1
536 1 71 MET HA 1 73 ALA H 6.000 . 6.500 4.776 4.555 5.293 . 0 0 "[ . 1 . 2]" 1
537 1 72 MET HA 1 73 ALA H 3.300 . 3.800 3.576 3.554 3.597 . 0 0 "[ . 1 . 2]" 1
538 1 72 MET HB3 1 73 ALA H 3.300 . 3.800 2.575 2.200 3.499 . 0 0 "[ . 1 . 2]" 1
539 1 72 MET HB2 1 73 ALA H 3.300 . 3.800 3.370 2.176 3.832 0.032 3 0 "[ . 1 . 2]" 1
540 1 72 MET HG3 1 73 ALA H 4.000 . 4.500 4.222 3.435 4.683 0.183 10 0 "[ . 1 . 2]" 1
541 1 72 MET HG2 1 73 ALA H 4.000 . 4.500 4.101 3.489 4.727 0.227 20 0 "[ . 1 . 2]" 1
542 1 73 ALA H 1 73 ALA HA 2.700 . 3.200 2.871 2.827 2.895 . 0 0 "[ . 1 . 2]" 1
543 1 73 ALA H 1 73 ALA MB 2.700 . 3.200 2.100 1.986 2.167 . 0 0 "[ . 1 . 2]" 1
544 1 72 MET HA 1 74 ARG H 6.000 . 6.500 4.404 4.256 4.677 . 0 0 "[ . 1 . 2]" 1
545 1 73 ALA MB 1 74 ARG H 3.300 . 3.800 2.651 2.495 2.877 . 0 0 "[ . 1 . 2]" 1
546 1 73 ALA H 1 74 ARG H 2.700 . 3.200 2.671 2.554 2.858 . 0 0 "[ . 1 . 2]" 1
547 1 74 ARG H 1 74 ARG HA 2.700 . 3.200 2.904 2.883 2.944 . 0 0 "[ . 1 . 2]" 1
548 1 74 ARG H 1 74 ARG HG3 5.000 . 5.500 4.147 2.401 4.540 . 0 0 "[ . 1 . 2]" 1
549 1 47 GLU HA 1 49 GLN H 3.300 . 3.800 4.073 4.022 4.150 0.350 4 0 "[ . 1 . 2]" 1
550 1 51 MET HA 1 54 GLU H 3.300 . 3.800 3.847 3.753 3.915 0.115 1 0 "[ . 1 . 2]" 1
551 1 66 PRO HA 1 69 LEU H 3.300 . 3.800 3.720 3.640 3.828 0.028 8 0 "[ . 1 . 2]" 1
552 1 67 GLU HA 1 70 THR H 3.300 . 3.800 3.693 3.571 3.799 . 0 0 "[ . 1 . 2]" 1
553 1 71 MET HA 1 74 ARG H 6.000 . 6.500 3.699 3.397 4.249 . 0 0 "[ . 1 . 2]" 1
554 1 49 GLN H 1 52 ILE MD 6.000 . 6.500 5.314 4.087 6.459 . 0 0 "[ . 1 . 2]" 1
555 1 16 PHE QE 1 68 PHE H 6.000 . 6.500 4.742 4.011 5.410 . 0 0 "[ . 1 . 2]" 1
556 1 2 ASP HA 1 3 GLN H 2.700 . 3.200 2.872 2.210 3.521 0.321 18 0 "[ . 1 . 2]" 1
557 1 3 GLN H 1 3 GLN HA 2.700 . 3.200 2.879 2.810 3.003 . 0 0 "[ . 1 . 2]" 1
558 1 3 GLN H 1 3 GLN HB2 2.700 . 3.200 2.467 1.954 3.467 0.267 6 0 "[ . 1 . 2]" 1
559 1 3 GLN H 1 3 GLN HG3 3.300 . 3.800 2.757 1.981 4.237 0.437 1 0 "[ . 1 . 2]" 1
560 1 3 GLN H 1 4 LEU HG 6.000 . 6.500 4.790 4.144 6.004 . 0 0 "[ . 1 . 2]" 1
561 1 3 GLN HA 1 4 LEU H 2.700 . 3.200 3.208 2.242 3.524 0.324 11 0 "[ . 1 . 2]" 1
562 1 3 GLN HB2 1 4 LEU H 3.300 . 3.800 2.715 1.932 3.982 0.182 7 0 "[ . 1 . 2]" 1
563 1 3 GLN HE21 1 4 LEU H 3.300 . 3.800 3.756 3.026 4.062 0.262 6 0 "[ . 1 . 2]" 1
564 1 3 GLN QG 1 4 LEU H 6.000 . 6.500 3.908 2.355 4.546 . 0 0 "[ . 1 . 2]" 1
565 1 4 LEU H 1 4 LEU HA 2.700 . 3.200 2.946 2.845 3.003 . 0 0 "[ . 1 . 2]" 1
566 1 4 LEU H 1 4 LEU HB2 2.700 . 3.200 2.472 2.307 3.512 0.312 4 0 "[ . 1 . 2]" 1
567 1 4 LEU H 1 4 LEU MD1 4.000 . 4.500 3.587 3.327 3.927 . 0 0 "[ . 1 . 2]" 1
568 1 4 LEU H 1 4 LEU HG 2.700 . 3.200 2.382 2.044 2.816 . 0 0 "[ . 1 . 2]" 1
569 1 4 LEU HA 1 5 THR H 3.300 . 3.800 2.906 2.363 3.586 . 0 0 "[ . 1 . 2]" 1
570 1 4 LEU HB3 1 5 THR H 6.000 . 6.500 2.717 2.156 4.049 . 0 0 "[ . 1 . 2]" 1
571 1 4 LEU HB2 1 5 THR H 2.700 . 3.200 3.006 1.972 3.449 0.249 14 0 "[ . 1 . 2]" 1
572 1 4 LEU MD1 1 5 THR H 6.000 . 6.500 4.286 3.560 4.789 . 0 0 "[ . 1 . 2]" 1
573 1 4 LEU H 1 5 THR H 5.000 . 5.500 3.896 1.991 4.663 . 0 0 "[ . 1 . 2]" 1
574 1 5 THR H 1 5 THR HA 2.700 . 3.200 2.976 2.872 2.999 . 0 0 "[ . 1 . 2]" 1
575 1 5 THR H 1 6 GLU HG3 5.000 . 5.500 4.255 3.060 4.828 . 0 0 "[ . 1 . 2]" 1
576 1 5 THR H 1 6 GLU H 3.300 . 3.800 3.647 2.027 4.038 0.238 14 0 "[ . 1 . 2]" 1
577 1 5 THR HB 1 8 GLN HE21 3.300 . 3.800 3.085 1.998 3.864 0.064 3 0 "[ . 1 . 2]" 1
578 1 8 GLN HB3 1 8 GLN HE21 3.300 . 3.800 3.250 2.549 3.968 0.168 3 0 "[ . 1 . 2]" 1
579 1 8 GLN H 1 8 GLN HE21 3.300 . 3.800 3.623 3.326 3.867 0.067 11 0 "[ . 1 . 2]" 1
580 1 8 GLN H 1 9 ILE HG13 6.000 . 6.500 4.404 3.770 5.767 . 0 0 "[ . 1 . 2]" 1
581 1 14 GLU H 1 65 PHE QE 6.000 . 6.500 5.419 4.871 5.897 . 0 0 "[ . 1 . 2]" 1
582 1 41 GLN HB3 1 41 GLN HE21 3.300 . 3.800 3.744 2.948 4.045 0.245 1 0 "[ . 1 . 2]" 1
583 1 41 GLN HE21 1 41 GLN HG2 2.700 . 3.200 2.510 2.257 3.499 0.299 8 0 "[ . 1 . 2]" 1
584 1 41 GLN HE22 1 41 GLN HG2 4.000 . 4.500 3.628 3.518 4.066 . 0 0 "[ . 1 . 2]" 1
585 1 42 ASN HA 1 42 ASN QD 3.300 . 3.800 3.470 1.952 4.057 0.257 12 0 "[ . 1 . 2]" 1
586 1 42 ASN HB3 1 42 ASN QD 3.300 . 3.800 2.835 2.202 3.364 . 0 0 "[ . 1 . 2]" 1
587 1 42 ASN HB2 1 42 ASN QD 2.700 . 3.200 2.796 2.248 3.245 0.045 20 0 "[ . 1 . 2]" 1
588 1 42 ASN HB3 1 42 ASN HD22 3.300 . 3.800 3.811 3.489 4.081 0.281 16 0 "[ . 1 . 2]" 1
589 1 42 ASN HB2 1 42 ASN HD22 3.300 . 3.800 3.771 3.503 4.009 0.209 20 0 "[ . 1 . 2]" 1
590 1 42 ASN QD 1 43 PRO HA 5.000 . 5.500 4.892 4.050 5.627 0.127 3 0 "[ . 1 . 2]" 1
591 1 42 ASN HD22 1 43 PRO HA 6.000 . 6.500 5.872 5.400 6.357 . 0 0 "[ . 1 . 2]" 1
592 1 49 GLN HA 1 49 GLN HE21 3.300 . 3.800 3.856 3.688 3.934 0.134 7 0 "[ . 1 . 2]" 1
593 1 49 GLN HB3 1 49 GLN HE21 3.300 . 3.800 2.898 1.999 3.812 0.012 16 0 "[ . 1 . 2]" 1
594 1 49 GLN HE21 1 49 GLN HG2 2.700 . 3.200 2.478 2.247 2.829 . 0 0 "[ . 1 . 2]" 1
595 1 49 GLN HE22 1 49 GLN HG2 3.300 . 3.800 3.603 3.512 3.748 . 0 0 "[ . 1 . 2]" 1
596 1 53 ASN QB 1 53 ASN QD 2.700 . 3.200 2.330 2.186 2.603 . 0 0 "[ . 1 . 2]" 1
597 1 60 ASN HB3 1 60 ASN QD 3.300 . 3.800 2.820 2.693 2.896 . 0 0 "[ . 1 . 2]" 1
598 1 60 ASN HB2 1 60 ASN QD 3.300 . 3.800 2.385 2.333 2.486 . 0 0 "[ . 1 . 2]" 1
599 1 3 GLN HB3 1 4 LEU H 6.000 . 6.500 3.334 2.460 3.878 . 0 0 "[ . 1 . 2]" 1
600 1 13 LYS HG3 1 14 GLU H 6.000 . 6.500 4.412 3.082 4.722 . 0 0 "[ . 1 . 2]" 1
601 1 72 MET H 1 73 ALA H 6.000 . 6.500 2.851 2.727 2.937 . 0 0 "[ . 1 . 2]" 1
602 1 6 GLU HA 1 7 GLU H 6.000 . 6.500 3.458 3.402 3.533 . 0 0 "[ . 1 . 2]" 1
603 1 4 LEU HG 1 5 THR H 6.000 . 6.500 4.592 4.165 4.866 . 0 0 "[ . 1 . 2]" 1
604 1 27 ILE H 1 28 THR HA 6.000 . 6.500 5.079 5.039 5.125 . 0 0 "[ . 1 . 2]" 1
605 1 27 ILE H 1 63 ILE HG12 6.000 . 6.500 5.909 4.940 6.453 . 0 0 "[ . 1 . 2]" 1
606 1 27 ILE H 1 63 ILE MG 6.000 . 6.500 4.612 3.860 4.994 . 0 0 "[ . 1 . 2]" 1
607 1 26 THR MG 1 27 ILE H 6.000 . 6.500 4.043 3.975 4.116 . 0 0 "[ . 1 . 2]" 1
608 1 10 ALA HA 1 12 PHE H 6.000 . 6.500 4.429 4.267 4.717 . 0 0 "[ . 1 . 2]" 1
609 1 11 GLU HG2 1 12 PHE H 6.000 . 6.500 4.654 2.073 5.012 . 0 0 "[ . 1 . 2]" 1
610 1 12 PHE H 1 13 LYS QB 6.000 . 6.500 4.465 4.041 4.748 . 0 0 "[ . 1 . 2]" 1
611 1 11 GLU HA 1 13 LYS H 6.000 . 6.500 4.016 3.907 4.144 . 0 0 "[ . 1 . 2]" 1
612 1 11 GLU HB2 1 13 LYS H 6.000 . 6.500 4.838 4.388 5.634 . 0 0 "[ . 1 . 2]" 1
613 1 9 ILE MG 1 13 LYS H 6.000 . 6.500 4.508 4.114 4.858 . 0 0 "[ . 1 . 2]" 1
614 1 16 PHE H 1 65 PHE QE 6.000 . 6.500 4.266 3.442 5.178 . 0 0 "[ . 1 . 2]" 1
615 1 64 ASP HB2 1 65 PHE H 6.000 . 6.500 3.704 3.562 4.110 . 0 0 "[ . 1 . 2]" 1
616 1 66 PRO QD 1 68 PHE H 6.000 . 6.500 4.268 4.080 4.378 . 0 0 "[ . 1 . 2]" 1
617 1 68 PHE H 1 69 LEU HB2 6.000 . 6.500 4.689 4.431 4.815 . 0 0 "[ . 1 . 2]" 1
618 1 6 GLU H 1 7 GLU HG3 6.000 . 6.500 4.483 3.340 5.903 . 0 0 "[ . 1 . 2]" 1
619 1 6 GLU HB3 1 7 GLU H 6.000 . 6.500 4.004 3.538 4.129 . 0 0 "[ . 1 . 2]" 1
620 1 7 GLU HG3 1 8 GLN H 3.300 . 3.800 3.292 2.078 4.158 0.358 19 0 "[ . 1 . 2]" 1
621 1 8 GLN H 1 8 GLN HB2 2.700 . 3.200 2.267 2.187 2.415 . 0 0 "[ . 1 . 2]" 1
622 1 8 GLN HB3 1 9 ILE H 3.300 . 3.800 3.672 3.475 3.900 0.100 7 0 "[ . 1 . 2]" 1
623 1 10 ALA H 1 11 GLU HB2 6.000 . 6.500 4.677 4.370 6.293 . 0 0 "[ . 1 . 2]" 1
624 1 9 ILE MG 1 10 ALA H 6.000 . 6.500 3.486 3.199 3.705 . 0 0 "[ . 1 . 2]" 1
625 1 14 GLU H 1 16 PHE HB2 6.000 . 6.500 5.482 5.195 5.811 . 0 0 "[ . 1 . 2]" 1
626 1 14 GLU HB3 1 15 ALA H 6.000 . 6.500 3.357 1.982 3.866 . 0 0 "[ . 1 . 2]" 1
627 1 19 PHE H 1 27 ILE MD 6.000 . 6.500 4.611 4.028 5.336 . 0 0 "[ . 1 . 2]" 1
628 1 25 GLY H 1 26 THR MG 6.000 . 6.500 4.334 4.248 4.470 . 0 0 "[ . 1 . 2]" 1
629 1 22 ASP HB2 1 28 THR H 6.000 . 6.500 6.468 6.262 6.564 0.064 16 0 "[ . 1 . 2]" 1
630 1 27 ILE MG 1 28 THR H 3.300 . 3.800 2.795 2.586 3.000 . 0 0 "[ . 1 . 2]" 1
631 1 29 THR HA 1 30 LYS H 6.000 . 6.500 3.555 3.537 3.580 . 0 0 "[ . 1 . 2]" 1
632 1 30 LYS H 1 30 LYS QB 2.700 . 3.200 2.257 2.174 2.336 . 0 0 "[ . 1 . 2]" 1
633 1 27 ILE MG 1 32 LEU H 6.000 . 6.500 2.949 2.645 3.108 . 0 0 "[ . 1 . 2]" 1
634 1 32 LEU H 1 48 LEU MD2 6.000 . 6.500 4.914 4.048 5.330 . 0 0 "[ . 1 . 2]" 1
635 1 5 THR H 1 8 GLN H 6.000 . 6.500 5.698 5.009 6.008 . 0 0 "[ . 1 . 2]" 1
636 1 49 GLN HA 1 49 GLN HE22 6.000 . 6.500 5.277 5.116 5.387 . 0 0 "[ . 1 . 2]" 1
637 1 2 ASP HA 1 3 GLN HE22 6.000 . 6.500 6.380 4.328 6.827 0.327 6 0 "[ . 1 . 2]" 1
638 1 3 GLN HE21 1 4 LEU HA 6.000 . 6.500 6.136 3.168 6.588 0.088 6 0 "[ . 1 . 2]" 1
639 1 68 PHE H 1 69 LEU H 6.000 . 6.500 2.776 2.692 2.879 . 0 0 "[ . 1 . 2]" 1
640 1 63 ILE HG12 1 68 PHE H 6.000 . 6.500 6.372 6.157 6.554 0.054 3 0 "[ . 1 . 2]" 1
641 1 7 GLU QB 1 8 GLN H 6.000 . 6.500 2.892 2.027 3.671 . 0 0 "[ . 1 . 2]" 1
642 1 7 GLU HA 1 9 ILE H 6.000 . 6.500 4.236 3.914 4.579 . 0 0 "[ . 1 . 2]" 1
643 1 8 GLN HG3 1 9 ILE H 6.000 . 6.500 4.444 4.302 4.867 . 0 0 "[ . 1 . 2]" 1
644 1 8 GLN H 1 10 ALA H 6.000 . 6.500 4.425 4.148 4.976 . 0 0 "[ . 1 . 2]" 1
645 1 9 ILE HA 1 11 GLU H 6.000 . 6.500 4.241 3.937 4.968 . 0 0 "[ . 1 . 2]" 1
646 1 17 SER HA 1 18 LEU H 6.000 . 6.500 3.528 3.510 3.553 . 0 0 "[ . 1 . 2]" 1
647 1 19 PHE HA 1 20 ASP H 6.000 . 6.500 3.556 3.536 3.582 . 0 0 "[ . 1 . 2]" 1
648 1 20 ASP H 1 27 ILE MG 6.000 . 6.500 5.178 4.653 5.654 . 0 0 "[ . 1 . 2]" 1
649 1 20 ASP HB3 1 21 LYS H 6.000 . 6.500 4.387 4.334 4.439 . 0 0 "[ . 1 . 2]" 1
650 1 20 ASP HB3 1 22 ASP H 6.000 . 6.500 4.599 4.162 4.799 . 0 0 "[ . 1 . 2]" 1
651 1 16 PHE HE2 1 25 GLY H 6.000 . 6.500 5.526 2.697 7.140 0.640 13 2 "[- . 1 + . 2]" 1
652 1 24 ASP HA 1 26 THR H 6.000 . 6.500 4.641 4.315 4.772 . 0 0 "[ . 1 . 2]" 1
653 1 28 THR HA 1 30 LYS H 6.000 . 6.500 4.147 4.022 4.367 . 0 0 "[ . 1 . 2]" 1
654 1 30 LYS HG2 1 31 GLU H 6.000 . 6.500 4.501 3.432 4.946 . 0 0 "[ . 1 . 2]" 1
655 1 56 ASP H 1 63 ILE HG12 6.000 . 6.500 5.437 4.830 6.290 . 0 0 "[ . 1 . 2]" 1
656 1 71 MET H 1 72 MET QG 6.000 . 6.500 5.766 3.974 6.384 . 0 0 "[ . 1 . 2]" 1
657 1 47 GLU HB2 1 48 LEU H 6.000 . 6.500 3.570 2.575 3.925 . 0 0 "[ . 1 . 2]" 1
658 1 4 LEU HA 1 6 GLU H 6.000 . 6.500 5.597 3.600 6.272 . 0 0 "[ . 1 . 2]" 1
659 1 13 LYS H 1 65 PHE HZ 6.000 . 6.500 4.449 2.793 6.533 0.033 19 0 "[ . 1 . 2]" 1
660 1 11 GLU H 1 13 LYS HG2 6.000 . 6.500 5.594 4.729 6.840 0.340 3 0 "[ . 1 . 2]" 1
661 1 21 LYS QD 1 22 ASP H 6.000 . 6.500 4.862 4.016 5.155 . 0 0 "[ . 1 . 2]" 1
662 1 28 THR H 1 30 LYS H 5.000 . 5.500 4.915 4.757 5.098 . 0 0 "[ . 1 . 2]" 1
663 1 29 THR MG 1 30 LYS H 6.000 . 6.500 3.956 3.843 4.104 . 0 0 "[ . 1 . 2]" 1
664 1 71 MET HA 1 72 MET H 6.000 . 6.500 3.576 3.549 3.601 . 0 0 "[ . 1 . 2]" 1
665 1 35 VAL MG1 1 39 LEU H 6.000 . 6.500 4.666 4.325 5.220 . 0 0 "[ . 1 . 2]" 1
666 1 51 MET H 1 51 MET ME 6.000 . 6.500 4.086 3.178 4.639 . 0 0 "[ . 1 . 2]" 1
667 1 57 ALA H 1 67 GLU HB3 6.000 . 6.500 3.824 3.293 4.955 . 0 0 "[ . 1 . 2]" 1
668 1 58 ASP H 1 67 GLU QG 6.000 . 6.500 3.962 3.551 4.672 . 0 0 "[ . 1 . 2]" 1
669 1 28 THR HA 1 63 ILE H 6.000 . 6.500 4.601 4.163 5.145 . 0 0 "[ . 1 . 2]" 1
670 1 63 ILE MD 1 64 ASP H 6.000 . 6.500 5.243 4.525 5.339 . 0 0 "[ . 1 . 2]" 1
671 1 5 THR H 1 8 GLN QB 6.000 . 6.500 5.344 4.362 6.245 . 0 0 "[ . 1 . 2]" 1
672 1 4 LEU MD2 1 5 THR H 6.000 . 6.500 3.883 3.135 4.980 . 0 0 "[ . 1 . 2]" 1
673 1 3 GLN H 1 4 LEU HA 6.000 . 6.500 5.340 4.911 5.648 . 0 0 "[ . 1 . 2]" 1
674 1 5 THR MG 1 8 GLN H 6.000 . 6.500 4.506 2.987 4.874 . 0 0 "[ . 1 . 2]" 1
675 1 5 THR HB 1 8 GLN H 6.000 . 6.500 3.415 2.941 4.649 . 0 0 "[ . 1 . 2]" 1
676 1 7 GLU HA 1 8 GLN H 6.000 . 6.500 3.545 3.489 3.602 . 0 0 "[ . 1 . 2]" 1
677 1 5 THR H 1 9 ILE H 6.000 . 6.500 6.296 5.695 6.598 0.098 19 0 "[ . 1 . 2]" 1
678 1 7 GLU H 1 8 GLN QG 6.000 . 6.500 4.278 3.680 4.944 . 0 0 "[ . 1 . 2]" 1
679 1 9 ILE QG 1 10 ALA H 6.000 . 6.500 4.034 3.825 4.160 . 0 0 "[ . 1 . 2]" 1
680 1 13 LYS QE 1 14 GLU H 6.000 . 6.500 5.664 4.369 6.101 . 0 0 "[ . 1 . 2]" 1
681 1 16 PHE HA 1 17 SER H 6.000 . 6.500 3.595 3.575 3.614 . 0 0 "[ . 1 . 2]" 1
682 1 18 LEU MD1 1 19 PHE H 6.000 . 6.500 4.387 3.243 4.733 . 0 0 "[ . 1 . 2]" 1
683 1 19 PHE QD 1 20 ASP H 6.000 . 6.500 4.473 3.852 4.661 . 0 0 "[ . 1 . 2]" 1
684 1 20 ASP HA 1 22 ASP H 6.000 . 6.500 3.689 3.487 3.909 . 0 0 "[ . 1 . 2]" 1
685 1 27 ILE HG12 1 28 THR H 6.000 . 6.500 4.638 4.450 5.195 . 0 0 "[ . 1 . 2]" 1
686 1 28 THR HG1 1 31 GLU H 6.000 . 6.500 3.602 2.063 5.613 . 0 0 "[ . 1 . 2]" 1
687 1 28 THR MG 1 31 GLU H 6.000 . 6.500 4.173 3.401 4.612 . 0 0 "[ . 1 . 2]" 1
688 1 28 THR MG 1 30 LYS H 6.000 . 6.500 3.699 2.108 4.610 . 0 0 "[ . 1 . 2]" 1
689 1 32 LEU H 1 52 ILE MD 6.000 . 6.500 5.787 5.391 6.186 . 0 0 "[ . 1 . 2]" 1
690 1 34 THR H 1 48 LEU MD1 6.000 . 6.500 5.547 5.174 5.943 . 0 0 "[ . 1 . 2]" 1
691 1 37 ARG QG 1 38 SER H 6.000 . 6.500 4.026 3.023 4.326 . 0 0 "[ . 1 . 2]" 1
692 1 40 GLY HA3 1 41 GLN H 6.000 . 6.500 2.719 2.489 2.997 . 0 0 "[ . 1 . 2]" 1
693 1 68 PHE HA 1 72 MET H 6.000 . 6.500 4.458 4.309 4.679 . 0 0 "[ . 1 . 2]" 1
694 1 37 ARG QG 1 42 ASN H 6.000 . 6.500 3.376 2.306 5.271 . 0 0 "[ . 1 . 2]" 1
695 1 44 THR H 1 48 LEU HG 6.000 . 6.500 3.166 2.454 4.172 . 0 0 "[ . 1 . 2]" 1
696 1 49 GLN QG 1 50 ASP H 6.000 . 6.500 4.172 4.017 4.492 . 0 0 "[ . 1 . 2]" 1
697 1 55 VAL MG1 1 71 MET H 6.000 . 6.500 3.771 3.119 4.209 . 0 0 "[ . 1 . 2]" 1
698 1 70 THR HA 1 73 ALA H 6.000 . 6.500 4.033 3.821 4.332 . 0 0 "[ . 1 . 2]" 1
699 1 13 LYS HA 1 14 GLU H 6.000 . 6.500 3.528 3.511 3.552 . 0 0 "[ . 1 . 2]" 1
700 1 40 GLY QA 1 41 GLN H 6.000 . 6.500 2.637 2.446 2.845 . 0 0 "[ . 1 . 2]" 1
701 1 36 MET QB 1 37 ARG H 6.000 . 6.500 2.715 2.555 3.642 . 0 0 "[ . 1 . 2]" 1
702 1 50 ASP HA 1 53 ASN QD 6.000 . 6.500 3.816 1.976 5.256 . 0 0 "[ . 1 . 2]" 1
703 1 49 GLN QG 1 53 ASN QD 6.000 . 6.500 5.077 2.610 6.486 . 0 0 "[ . 1 . 2]" 1
704 1 61 GLY H 1 62 THR MG 6.000 . 6.500 4.214 3.999 4.403 . 0 0 "[ . 1 . 2]" 1
705 1 6 GLU HA 1 6 GLU HB3 2.700 . 3.200 2.533 2.487 2.549 . 0 0 "[ . 1 . 2]" 1
706 1 6 GLU HA 1 6 GLU HG2 2.700 . 3.200 2.444 2.403 2.519 . 0 0 "[ . 1 . 2]" 1
707 1 8 GLN HA 1 8 GLN HB3 2.700 . 3.200 2.550 2.477 2.594 . 0 0 "[ . 1 . 2]" 1
708 1 6 GLU HA 1 9 ILE HB 3.300 . 3.800 3.103 2.109 3.799 . 0 0 "[ . 1 . 2]" 1
709 1 6 GLU HA 1 9 ILE MD 3.300 . 3.800 2.504 1.910 3.787 . 0 0 "[ . 1 . 2]" 1
710 1 6 GLU HG2 1 9 ILE MD 6.000 . 6.500 3.270 2.358 5.139 . 0 0 "[ . 1 . 2]" 1
711 1 6 GLU HA 1 9 ILE HG13 2.700 . 3.200 2.663 2.186 3.123 . 0 0 "[ . 1 . 2]" 1
712 1 6 GLU HA 1 9 ILE MG 6.000 . 6.500 4.080 3.461 4.663 . 0 0 "[ . 1 . 2]" 1
713 1 9 ILE HB 1 9 ILE MD 2.700 . 3.200 2.605 2.179 3.221 0.021 4 0 "[ . 1 . 2]" 1
714 1 9 ILE HA 1 9 ILE HG13 3.300 . 3.800 3.215 2.900 3.728 . 0 0 "[ . 1 . 2]" 1
715 1 9 ILE HB 1 9 ILE HG13 2.700 . 3.200 2.493 2.446 2.542 . 0 0 "[ . 1 . 2]" 1
716 1 9 ILE HA 1 9 ILE HG12 3.300 . 3.800 2.713 2.452 3.094 . 0 0 "[ . 1 . 2]" 1
717 1 9 ILE HA 1 9 ILE MG 3.300 . 3.800 2.364 2.293 2.481 . 0 0 "[ . 1 . 2]" 1
718 1 10 ALA MB 1 13 LYS QB 5.000 . 5.500 3.772 3.320 4.028 . 0 0 "[ . 1 . 2]" 1
719 1 11 GLU HA 1 11 GLU HG2 3.300 . 3.800 2.615 2.364 3.819 0.019 5 0 "[ . 1 . 2]" 1
720 1 9 ILE HA 1 12 PHE QD 6.000 . 6.500 2.367 1.924 3.655 . 0 0 "[ . 1 . 2]" 1
721 1 12 PHE HA 1 12 PHE QD 3.300 . 3.800 2.353 1.973 2.919 . 0 0 "[ . 1 . 2]" 1
722 1 12 PHE HB3 1 12 PHE HD1 3.300 . 3.800 2.771 2.454 3.759 . 0 0 "[ . 1 . 2]" 1
723 1 10 ALA HA 1 13 LYS HB2 2.700 . 3.200 3.066 2.480 3.327 0.127 5 0 "[ . 1 . 2]" 1
724 1 10 ALA HA 1 13 LYS HD3 6.000 . 6.500 4.469 2.674 5.030 . 0 0 "[ . 1 . 2]" 1
725 1 10 ALA HA 1 13 LYS HD2 6.000 . 6.500 4.560 2.971 5.777 . 0 0 "[ . 1 . 2]" 1
726 1 13 LYS HA 1 13 LYS HB2 2.700 . 3.200 2.800 2.409 3.044 . 0 0 "[ . 1 . 2]" 1
727 1 13 LYS HB2 1 13 LYS HD2 3.300 . 3.800 3.325 2.462 3.677 . 0 0 "[ . 1 . 2]" 1
728 1 13 LYS HA 1 13 LYS HG3 3.300 . 3.800 3.309 2.420 3.783 . 0 0 "[ . 1 . 2]" 1
729 1 13 LYS HA 1 13 LYS HG2 3.300 . 3.800 3.123 2.859 3.845 0.045 10 0 "[ . 1 . 2]" 1
730 1 13 LYS HE3 1 13 LYS HG2 3.300 . 3.800 2.855 2.289 3.831 0.031 16 0 "[ . 1 . 2]" 1
731 1 14 GLU HA 1 14 GLU HB3 2.700 . 3.200 2.572 2.529 3.034 . 0 0 "[ . 1 . 2]" 1
732 1 14 GLU HA 1 14 GLU HG2 2.700 . 3.200 2.533 2.398 2.998 . 0 0 "[ . 1 . 2]" 1
733 1 12 PHE HA 1 15 ALA MB 3.300 . 3.800 2.867 2.266 3.410 . 0 0 "[ . 1 . 2]" 1
734 1 12 PHE HD1 1 15 ALA MB 5.000 . 5.500 3.913 3.183 5.385 . 0 0 "[ . 1 . 2]" 1
735 1 13 LYS HA 1 16 PHE HB3 3.300 . 3.800 3.123 2.725 3.523 . 0 0 "[ . 1 . 2]" 1
736 1 13 LYS HA 1 16 PHE HB2 3.300 . 3.800 3.273 2.906 3.769 . 0 0 "[ . 1 . 2]" 1
737 1 15 ALA HA 1 16 PHE HA 6.000 . 6.500 4.918 4.890 4.992 . 0 0 "[ . 1 . 2]" 1
738 1 16 PHE HA 1 16 PHE QD 3.300 . 3.800 2.913 2.787 2.974 . 0 0 "[ . 1 . 2]" 1
739 1 16 PHE HA 1 16 PHE HE1 5.000 . 5.500 5.334 4.841 5.671 0.171 19 0 "[ . 1 . 2]" 1
740 1 16 PHE HA 1 17 SER HA 6.000 . 6.500 4.844 4.795 4.876 . 0 0 "[ . 1 . 2]" 1
741 1 16 PHE HB3 1 17 SER HA 6.000 . 6.500 4.336 4.263 4.463 . 0 0 "[ . 1 . 2]" 1
742 1 16 PHE HD2 1 17 SER HA 6.000 . 6.500 5.360 3.046 6.674 0.174 2 0 "[ . 1 . 2]" 1
743 1 15 ALA HA 1 18 LEU HB3 6.000 . 6.500 2.671 2.073 3.681 . 0 0 "[ . 1 . 2]" 1
744 1 15 ALA HA 1 18 LEU HB2 6.000 . 6.500 3.114 2.809 3.508 . 0 0 "[ . 1 . 2]" 1
745 1 15 ALA HA 1 18 LEU MD2 5.000 . 5.500 3.360 2.607 4.854 . 0 0 "[ . 1 . 2]" 1
746 1 18 LEU HA 1 18 LEU MD1 2.700 . 3.200 2.291 1.945 3.339 0.139 7 0 "[ . 1 . 2]" 1
747 1 18 LEU HB2 1 18 LEU MD1 3.300 . 3.800 2.325 2.157 3.203 . 0 0 "[ . 1 . 2]" 1
748 1 18 LEU HA 1 18 LEU MD2 3.300 . 3.800 3.623 1.961 3.865 0.065 15 0 "[ . 1 . 2]" 1
749 1 18 LEU HA 1 18 LEU HG 3.300 . 3.800 2.996 2.322 3.676 . 0 0 "[ . 1 . 2]" 1
750 1 16 PHE HA 1 19 PHE HB2 6.000 . 6.500 2.840 2.379 3.794 . 0 0 "[ . 1 . 2]" 1
751 1 19 PHE HA 1 19 PHE HB2 2.700 . 3.200 2.881 2.552 2.993 . 0 0 "[ . 1 . 2]" 1
752 1 17 SER HA 1 20 ASP HB3 3.300 . 3.800 2.721 2.538 2.964 . 0 0 "[ . 1 . 2]" 1
753 1 17 SER HA 1 20 ASP HB2 3.300 . 3.800 3.846 3.750 3.905 0.105 3 0 "[ . 1 . 2]" 1
754 1 21 LYS HA 1 21 LYS QD 2.700 . 3.200 2.453 1.935 3.493 0.293 19 0 "[ . 1 . 2]" 1
755 1 21 LYS HB3 1 21 LYS HD3 2.700 . 3.200 2.928 2.424 3.362 0.162 9 0 "[ . 1 . 2]" 1
756 1 21 LYS HA 1 21 LYS HG3 4.000 . 4.500 3.463 2.127 3.734 . 0 0 "[ . 1 . 2]" 1
757 1 56 ASP HA 1 67 GLU HB2 6.000 . 6.500 5.112 4.850 5.423 . 0 0 "[ . 1 . 2]" 1
758 1 24 ASP HA 1 24 ASP HB2 2.700 . 3.200 2.502 2.425 3.035 . 0 0 "[ . 1 . 2]" 1
759 1 16 PHE HZ 1 26 THR MG 6.000 . 6.500 3.993 3.700 4.167 . 0 0 "[ . 1 . 2]" 1
760 1 26 THR HA 1 26 THR HB 2.700 . 3.200 2.453 2.426 2.486 . 0 0 "[ . 1 . 2]" 1
761 1 26 THR HA 1 26 THR MG 2.700 . 3.200 2.370 2.271 2.420 . 0 0 "[ . 1 . 2]" 1
762 1 19 PHE HB3 1 27 ILE HA 6.000 . 6.500 5.610 5.012 6.474 . 0 0 "[ . 1 . 2]" 1
763 1 19 PHE HB3 1 27 ILE MD 3.300 . 3.800 2.184 1.830 3.071 . 0 0 "[ . 1 . 2]" 1
764 1 19 PHE QD 1 27 ILE MD 6.000 . 6.500 3.048 1.943 3.651 . 0 0 "[ . 1 . 2]" 1
765 1 19 PHE QB 1 27 ILE MG 6.000 . 6.500 3.517 2.762 4.485 . 0 0 "[ . 1 . 2]" 1
766 1 19 PHE HD1 1 27 ILE MG 6.000 . 6.500 3.637 2.503 5.721 . 0 0 "[ . 1 . 2]" 1
767 1 27 ILE HA 1 27 ILE MD 3.300 . 3.800 3.668 1.993 3.858 0.058 6 0 "[ . 1 . 2]" 1
768 1 27 ILE HA 1 27 ILE QG 3.300 . 3.800 2.487 2.410 2.957 . 0 0 "[ . 1 . 2]" 1
769 1 27 ILE HA 1 27 ILE MG 3.300 . 3.800 2.375 2.293 2.448 . 0 0 "[ . 1 . 2]" 1
770 1 27 ILE MD 1 27 ILE MG 3.300 . 3.800 1.958 1.747 2.123 0.053 11 0 "[ . 1 . 2]" 1
771 1 27 ILE HG13 1 27 ILE MG 2.700 . 3.200 3.092 2.264 3.192 . 0 0 "[ . 1 . 2]" 1
772 1 28 THR HA 1 28 THR MG 2.700 . 3.200 2.259 2.156 2.371 . 0 0 "[ . 1 . 2]" 1
773 1 29 THR HA 1 29 THR HB 2.700 . 3.200 2.515 2.464 2.597 . 0 0 "[ . 1 . 2]" 1
774 1 29 THR HA 1 29 THR MG 2.700 . 3.200 2.282 2.178 2.414 . 0 0 "[ . 1 . 2]" 1
775 1 30 LYS HA 1 30 LYS HB3 2.700 . 3.200 2.667 2.507 3.042 . 0 0 "[ . 1 . 2]" 1
776 1 30 LYS HB3 1 30 LYS HG2 2.700 . 3.200 2.494 2.406 3.018 . 0 0 "[ . 1 . 2]" 1
777 1 19 PHE HA 1 31 GLU QB 6.000 . 6.500 5.774 5.024 6.457 . 0 0 "[ . 1 . 2]" 1
778 1 27 ILE HA 1 31 GLU QB 3.300 . 3.800 3.495 3.225 3.635 . 0 0 "[ . 1 . 2]" 1
779 1 27 ILE MG 1 31 GLU QB 3.300 . 3.800 2.639 2.345 2.794 . 0 0 "[ . 1 . 2]" 1
780 1 19 PHE QE 1 32 LEU HA 4.000 . 4.500 4.122 2.420 4.568 0.068 7 0 "[ . 1 . 2]" 1
781 1 27 ILE MG 1 32 LEU HA 6.000 . 6.500 3.683 3.345 3.883 . 0 0 "[ . 1 . 2]" 1
782 1 29 THR HA 1 32 LEU QB 6.000 . 6.500 2.931 2.764 3.226 . 0 0 "[ . 1 . 2]" 1
783 1 32 LEU HA 1 32 LEU HB2 2.700 . 3.200 2.488 2.461 2.649 . 0 0 "[ . 1 . 2]" 1
784 1 32 LEU HB3 1 32 LEU MD1 3.300 . 3.800 2.990 2.388 3.205 . 0 0 "[ . 1 . 2]" 1
785 1 32 LEU HB2 1 32 LEU MD1 3.300 . 3.800 2.320 2.031 3.220 . 0 0 "[ . 1 . 2]" 1
786 1 32 LEU HA 1 32 LEU MD2 3.300 . 3.800 3.541 1.955 3.874 0.074 7 0 "[ . 1 . 2]" 1
787 1 32 LEU HB3 1 32 LEU MD2 3.300 . 3.800 2.323 2.015 3.192 . 0 0 "[ . 1 . 2]" 1
788 1 32 LEU HB2 1 32 LEU MD2 3.300 . 3.800 2.576 2.275 3.130 . 0 0 "[ . 1 . 2]" 1
789 1 33 GLY HA3 1 43 PRO QG 6.000 . 6.500 4.395 3.032 5.579 . 0 0 "[ . 1 . 2]" 1
790 1 33 GLY HA2 1 48 LEU MD1 6.000 . 6.500 3.577 3.257 4.078 . 0 0 "[ . 1 . 2]" 1
791 1 31 GLU QB 1 34 THR HB 6.000 . 6.500 5.023 4.735 5.242 . 0 0 "[ . 1 . 2]" 1
792 1 34 THR HA 1 34 THR HB 2.700 . 3.200 3.043 3.039 3.048 . 0 0 "[ . 1 . 2]" 1
793 1 34 THR HA 1 34 THR MG 2.700 . 3.200 2.359 2.271 2.449 . 0 0 "[ . 1 . 2]" 1
794 1 19 PHE QE 1 35 VAL HB 3.300 . 3.800 3.705 3.452 3.858 0.058 9 0 "[ . 1 . 2]" 1
795 1 19 PHE QE 1 35 VAL MG1 6.000 . 6.500 2.505 2.090 3.148 . 0 0 "[ . 1 . 2]" 1
796 1 19 PHE HA 1 35 VAL MG1 6.000 . 6.500 4.952 4.094 5.555 . 0 0 "[ . 1 . 2]" 1
797 1 19 PHE HD1 1 35 VAL MG2 6.000 . 6.500 3.254 2.685 4.810 . 0 0 "[ . 1 . 2]" 1
798 1 18 LEU HG 1 35 VAL MG2 6.000 . 6.500 5.424 4.308 6.537 0.037 20 0 "[ . 1 . 2]" 1
799 1 32 LEU HA 1 35 VAL MG2 6.000 . 6.500 2.652 2.336 2.908 . 0 0 "[ . 1 . 2]" 1
800 1 35 VAL HA 1 35 VAL MG1 3.300 . 3.800 2.385 2.306 2.493 . 0 0 "[ . 1 . 2]" 1
801 1 35 VAL HA 1 35 VAL MG2 3.300 . 3.800 2.319 2.195 2.414 . 0 0 "[ . 1 . 2]" 1
802 1 32 LEU MD1 1 36 MET ME 6.000 . 6.500 4.110 2.037 5.198 . 0 0 "[ . 1 . 2]" 1
803 1 36 MET ME 1 36 MET HG3 3.300 . 3.800 2.768 2.202 3.351 . 0 0 "[ . 1 . 2]" 1
804 1 36 MET HA 1 36 MET HG2 3.300 . 3.800 2.583 2.336 3.699 . 0 0 "[ . 1 . 2]" 1
805 1 33 GLY HA2 1 43 PRO QG 6.000 . 6.500 3.626 2.288 4.595 . 0 0 "[ . 1 . 2]" 1
806 1 34 THR HA 1 37 ARG QB 2.700 . 3.200 2.603 2.096 3.207 0.007 2 0 "[ . 1 . 2]" 1
807 1 34 THR HA 1 37 ARG HG3 3.300 . 3.800 3.818 3.179 4.080 0.280 7 0 "[ . 1 . 2]" 1
808 1 37 ARG HA 1 37 ARG HB2 2.700 . 3.200 2.685 2.401 3.046 . 0 0 "[ . 1 . 2]" 1
809 1 35 VAL HA 1 38 SER HB3 3.300 . 3.800 3.384 2.748 3.860 0.060 7 0 "[ . 1 . 2]" 1
810 1 38 SER HA 1 38 SER HB2 2.700 . 3.200 2.469 2.343 2.653 . 0 0 "[ . 1 . 2]" 1
811 1 36 MET HA 1 39 LEU HB2 6.000 . 6.500 2.654 2.026 3.897 . 0 0 "[ . 1 . 2]" 1
812 1 39 LEU HA 1 39 LEU HB2 2.700 . 3.200 2.810 2.487 3.030 . 0 0 "[ . 1 . 2]" 1
813 1 39 LEU HB3 1 39 LEU MD1 2.700 . 3.200 2.790 2.266 3.199 . 0 0 "[ . 1 . 2]" 1
814 1 39 LEU HA 1 39 LEU MD2 3.300 . 3.800 2.940 1.901 3.866 0.066 6 0 "[ . 1 . 2]" 1
815 1 39 LEU HB3 1 39 LEU MD2 2.700 . 3.200 2.434 2.017 3.209 0.009 5 0 "[ . 1 . 2]" 1
816 1 41 GLN HA 1 41 GLN QG 2.700 . 3.200 2.981 2.285 3.315 0.115 9 0 "[ . 1 . 2]" 1
817 1 41 GLN HA 1 41 GLN HG2 3.300 . 3.800 3.485 2.966 3.781 . 0 0 "[ . 1 . 2]" 1
818 1 37 ARG HA 1 42 ASN HA 6.000 . 6.500 3.571 2.910 4.501 . 0 0 "[ . 1 . 2]" 1
819 1 41 GLN HA 1 42 ASN HB2 5.000 . 5.500 4.704 4.219 5.609 0.109 18 0 "[ . 1 . 2]" 1
820 1 42 ASN HA 1 43 PRO HD3 2.700 . 3.200 2.542 2.322 2.784 . 0 0 "[ . 1 . 2]" 1
821 1 42 ASN HA 1 43 PRO HD2 2.700 . 3.200 2.109 1.914 2.335 . 0 0 "[ . 1 . 2]" 1
822 1 42 ASN HA 1 43 PRO QG 4.000 . 4.500 3.891 3.781 4.017 . 0 0 "[ . 1 . 2]" 1
823 1 43 PRO HB2 1 43 PRO HD2 4.000 . 4.500 4.063 4.033 4.099 . 0 0 "[ . 1 . 2]" 1
824 1 43 PRO HB3 1 44 THR HA 6.000 . 6.500 5.741 5.708 5.775 . 0 0 "[ . 1 . 2]" 1
825 1 43 PRO HB2 1 44 THR HA 5.000 . 5.500 4.403 4.337 4.475 . 0 0 "[ . 1 . 2]" 1
826 1 44 THR HB 1 45 GLU HB2 6.000 . 6.500 4.468 4.072 5.963 . 0 0 "[ . 1 . 2]" 1
827 1 45 GLU HA 1 45 GLU QG 2.700 . 3.200 2.463 2.290 3.306 0.106 13 0 "[ . 1 . 2]" 1
828 1 45 GLU HB3 1 45 GLU HG2 2.700 . 3.200 2.544 2.439 3.021 . 0 0 "[ . 1 . 2]" 1
829 1 46 ALA MB 1 47 GLU HG2 6.000 . 6.500 5.265 2.828 5.912 . 0 0 "[ . 1 . 2]" 1
830 1 29 THR HB 1 48 LEU HB3 3.300 . 3.800 1.947 1.872 2.051 . 0 0 "[ . 1 . 2]" 1
831 1 29 THR MG 1 48 LEU HB3 3.300 . 3.800 1.992 1.925 2.068 . 0 0 "[ . 1 . 2]" 1
832 1 29 THR HB 1 48 LEU MD1 6.000 . 6.500 2.030 1.939 2.232 . 0 0 "[ . 1 . 2]" 1
833 1 29 THR HB 1 48 LEU MD2 4.000 . 4.500 2.648 2.010 3.593 . 0 0 "[ . 1 . 2]" 1
834 1 29 THR HB 1 48 LEU HG 3.300 . 3.800 3.990 3.920 4.074 0.274 3 0 "[ . 1 . 2]" 1
835 1 33 GLY HA3 1 48 LEU MD1 6.000 . 6.500 3.281 2.927 3.609 . 0 0 "[ . 1 . 2]" 1
836 1 43 PRO HG3 1 48 LEU MD1 6.000 . 6.500 3.960 3.298 4.509 . 0 0 "[ . 1 . 2]" 1
837 1 43 PRO HG2 1 48 LEU MD1 6.000 . 6.500 2.539 1.956 3.122 . 0 0 "[ . 1 . 2]" 1
838 1 45 GLU HA 1 48 LEU HB2 3.300 . 3.800 2.129 1.999 2.426 . 0 0 "[ . 1 . 2]" 1
839 1 48 LEU HB2 1 48 LEU MD1 3.300 . 3.800 2.223 2.061 2.328 . 0 0 "[ . 1 . 2]" 1
840 1 48 LEU HB3 1 48 LEU MD2 3.300 . 3.800 2.214 2.037 2.309 . 0 0 "[ . 1 . 2]" 1
841 1 29 THR MG 1 49 GLN HG3 6.000 . 6.500 4.547 3.126 5.521 . 0 0 "[ . 1 . 2]" 1
842 1 46 ALA MB 1 47 GLU HG3 6.000 . 6.500 4.795 2.624 5.467 . 0 0 "[ . 1 . 2]" 1
843 1 49 GLN HA 1 49 GLN HG3 2.700 . 3.200 3.114 2.960 3.277 0.077 16 0 "[ . 1 . 2]" 1
844 1 49 GLN HB2 1 49 GLN HG3 2.700 . 3.200 2.260 2.254 2.302 . 0 0 "[ . 1 . 2]" 1
845 1 47 GLU HA 1 50 ASP HB3 3.300 . 3.800 3.352 3.082 3.981 0.181 5 0 "[ . 1 . 2]" 1
846 1 47 GLU HA 1 50 ASP HB2 2.700 . 3.200 3.224 2.466 3.327 0.127 9 0 "[ . 1 . 2]" 1
847 1 50 ASP HA 1 50 ASP HB3 2.700 . 3.200 3.009 2.624 3.038 . 0 0 "[ . 1 . 2]" 1
848 1 50 ASP HA 1 50 ASP HB2 2.700 . 3.200 2.584 2.515 3.004 . 0 0 "[ . 1 . 2]" 1
849 1 29 THR HA 1 52 ILE MD 3.300 . 3.800 3.318 2.976 3.744 . 0 0 "[ . 1 . 2]" 1
850 1 49 GLN HA 1 52 ILE HB 2.700 . 3.200 2.946 2.604 3.112 . 0 0 "[ . 1 . 2]" 1
851 1 49 GLN HG2 1 52 ILE HB 3.300 . 3.800 3.886 3.822 3.946 0.146 9 0 "[ . 1 . 2]" 1
852 1 52 ILE HA 1 52 ILE HG13 3.300 . 3.800 3.242 2.765 3.721 . 0 0 "[ . 1 . 2]" 1
853 1 52 ILE HA 1 52 ILE HG12 3.300 . 3.800 2.744 2.427 3.050 . 0 0 "[ . 1 . 2]" 1
854 1 52 ILE HG13 1 52 ILE MG 3.300 . 3.800 2.806 2.289 3.192 . 0 0 "[ . 1 . 2]" 1
855 1 52 ILE HG12 1 52 ILE MG 3.300 . 3.800 2.705 2.200 3.198 . 0 0 "[ . 1 . 2]" 1
856 1 50 ASP HA 1 53 ASN HB2 6.000 . 6.500 2.866 2.532 3.082 . 0 0 "[ . 1 . 2]" 1
857 1 50 ASP HB2 1 53 ASN HB2 5.000 . 5.500 5.390 4.999 5.588 0.088 11 0 "[ . 1 . 2]" 1
858 1 52 ILE MG 1 53 ASN HA 6.000 . 6.500 3.717 3.625 3.806 . 0 0 "[ . 1 . 2]" 1
859 1 55 VAL HA 1 55 VAL MG1 3.300 . 3.800 2.327 2.262 2.401 . 0 0 "[ . 1 . 2]" 1
860 1 55 VAL HA 1 55 VAL MG2 3.300 . 3.800 2.384 2.273 2.427 . 0 0 "[ . 1 . 2]" 1
861 1 52 ILE MG 1 56 ASP QB 6.000 . 6.500 3.562 3.275 3.882 . 0 0 "[ . 1 . 2]" 1
862 1 53 ASN HA 1 56 ASP QB 2.700 . 3.200 2.361 2.133 2.659 . 0 0 "[ . 1 . 2]" 1
863 1 58 ASP HA 1 58 ASP HB3 2.700 . 3.200 2.465 2.453 2.479 . 0 0 "[ . 1 . 2]" 1
864 1 58 ASP HA 1 58 ASP HB2 2.700 . 3.200 2.523 2.449 3.038 . 0 0 "[ . 1 . 2]" 1
865 1 26 THR HB 1 62 THR HA 6.000 . 6.500 5.216 4.774 5.679 . 0 0 "[ . 1 . 2]" 1
866 1 26 THR HB 1 62 THR HB 2.700 . 3.200 2.816 2.331 3.229 0.029 8 0 "[ . 1 . 2]" 1
867 1 26 THR HB 1 62 THR MG 6.000 . 6.500 3.721 3.265 4.054 . 0 0 "[ . 1 . 2]" 1
868 1 28 THR HA 1 62 THR HB 4.000 . 4.500 4.169 3.455 4.568 0.068 15 0 "[ . 1 . 2]" 1
869 1 52 ILE MG 1 62 THR HA 3.300 . 3.800 2.454 1.975 2.923 . 0 0 "[ . 1 . 2]" 1
870 1 62 THR HA 1 62 THR HB 2.700 . 3.200 2.481 2.443 2.515 . 0 0 "[ . 1 . 2]" 1
871 1 62 THR HA 1 62 THR MG 2.700 . 3.200 2.301 2.224 2.380 . 0 0 "[ . 1 . 2]" 1
872 1 27 ILE HB 1 63 ILE HB 3.300 . 3.800 2.784 2.060 3.428 . 0 0 "[ . 1 . 2]" 1
873 1 27 ILE HG13 1 63 ILE MG 6.000 . 6.500 4.949 4.222 5.425 . 0 0 "[ . 1 . 2]" 1
874 1 63 ILE MD 1 71 MET ME 6.000 . 6.500 3.485 2.283 4.188 . 0 0 "[ . 1 . 2]" 1
875 1 63 ILE MG 1 71 MET ME 6.000 . 6.500 3.648 2.723 4.943 . 0 0 "[ . 1 . 2]" 1
876 1 62 THR HB 1 63 ILE HG13 5.000 . 5.500 4.462 4.213 4.689 . 0 0 "[ . 1 . 2]" 1
877 1 62 THR HA 1 63 ILE HG12 3.300 . 3.800 4.045 4.002 4.096 0.296 17 0 "[ . 1 . 2]" 1
878 1 63 ILE HB 1 63 ILE MD 3.300 . 3.800 2.448 2.375 2.519 . 0 0 "[ . 1 . 2]" 1
879 1 63 ILE HA 1 63 ILE MG 3.300 . 3.800 2.280 2.178 2.331 . 0 0 "[ . 1 . 2]" 1
880 1 63 ILE MD 1 63 ILE MG 3.300 . 3.800 1.906 1.754 1.994 0.046 12 0 "[ . 1 . 2]" 1
881 1 16 PHE QE 1 64 ASP HA 3.300 . 3.800 3.823 3.615 3.924 0.124 15 0 "[ . 1 . 2]" 1
882 1 64 ASP HA 1 66 PRO HD2 6.000 . 6.500 3.727 3.534 3.811 . 0 0 "[ . 1 . 2]" 1
883 1 26 THR MG 1 64 ASP HA 6.000 . 6.500 3.127 2.783 3.490 . 0 0 "[ . 1 . 2]" 1
884 1 26 THR MG 1 64 ASP QB 6.000 . 6.500 4.052 3.594 4.557 . 0 0 "[ . 1 . 2]" 1
885 1 64 ASP HA 1 64 ASP HB3 2.700 . 3.200 2.547 2.506 2.608 . 0 0 "[ . 1 . 2]" 1
886 1 64 ASP HA 1 64 ASP HB2 2.700 . 3.200 3.032 3.022 3.038 . 0 0 "[ . 1 . 2]" 1
887 1 13 LYS HA 1 65 PHE QE 3.300 . 3.800 2.310 1.976 3.291 . 0 0 "[ . 1 . 2]" 1
888 1 13 LYS HB2 1 65 PHE HZ 6.000 . 6.500 4.170 1.938 5.839 . 0 0 "[ . 1 . 2]" 1
889 1 65 PHE HA 1 65 PHE HD1 3.300 . 3.800 2.614 2.141 3.508 . 0 0 "[ . 1 . 2]" 1
890 1 64 ASP HB3 1 66 PRO HD3 6.000 . 6.500 3.434 3.347 3.576 . 0 0 "[ . 1 . 2]" 1
891 1 65 PHE HB2 1 66 PRO HD2 3.300 . 3.800 3.373 2.567 3.834 0.034 9 0 "[ . 1 . 2]" 1
892 1 66 PRO HA 1 66 PRO HB3 2.700 . 3.200 2.302 2.297 2.307 . 0 0 "[ . 1 . 2]" 1
893 1 66 PRO HD2 1 66 PRO HG3 2.700 . 3.200 2.695 2.665 2.727 . 0 0 "[ . 1 . 2]" 1
894 1 57 ALA MB 1 67 GLU QB 6.000 . 6.500 3.747 3.440 4.151 . 0 0 "[ . 1 . 2]" 1
895 1 63 ILE MG 1 67 GLU HB2 3.300 . 3.800 2.713 2.368 3.873 0.073 16 0 "[ . 1 . 2]" 1
896 1 66 PRO HG2 1 67 GLU HA 5.000 . 5.500 4.454 4.394 4.499 . 0 0 "[ . 1 . 2]" 1
897 1 67 GLU HA 1 67 GLU HB3 2.700 . 3.200 2.605 2.544 3.033 . 0 0 "[ . 1 . 2]" 1
898 1 67 GLU HA 1 67 GLU HB2 2.700 . 3.200 2.979 2.530 3.036 . 0 0 "[ . 1 . 2]" 1
899 1 67 GLU HA 1 67 GLU QG 3.300 . 3.800 2.307 2.248 2.334 . 0 0 "[ . 1 . 2]" 1
900 1 16 PHE QE 1 25 GLY HA2 6.000 . 6.500 2.064 1.964 2.393 . 0 0 "[ . 1 . 2]" 1
901 1 52 ILE HA 1 63 ILE MD 6.000 . 6.500 3.106 2.393 4.327 . 0 0 "[ . 1 . 2]" 1
902 1 63 ILE MG 1 68 PHE HA 6.000 . 6.500 2.685 2.364 3.111 . 0 0 "[ . 1 . 2]" 1
903 1 63 ILE MG 1 68 PHE HB3 6.000 . 6.500 3.758 3.565 3.982 . 0 0 "[ . 1 . 2]" 1
904 1 63 ILE MG 1 68 PHE HB2 3.300 . 3.800 2.388 2.199 2.666 . 0 0 "[ . 1 . 2]" 1
905 1 65 PHE HA 1 68 PHE HB3 3.300 . 3.800 3.025 2.827 3.307 . 0 0 "[ . 1 . 2]" 1
906 1 65 PHE HA 1 68 PHE HB2 6.000 . 6.500 3.750 3.434 4.021 . 0 0 "[ . 1 . 2]" 1
907 1 68 PHE HA 1 68 PHE HD1 3.300 . 3.800 3.603 2.855 4.051 0.251 2 0 "[ . 1 . 2]" 1
908 1 9 ILE MG 1 69 LEU MD1 6.000 . 6.500 2.996 1.924 4.662 . 0 0 "[ . 1 . 2]" 1
909 1 12 PHE QD 1 69 LEU MD1 4.000 . 4.500 3.843 1.874 4.526 0.026 17 0 "[ . 1 . 2]" 1
910 1 12 PHE QD 1 69 LEU MD2 6.000 . 6.500 2.692 2.062 3.693 . 0 0 "[ . 1 . 2]" 1
911 1 66 PRO HA 1 69 LEU HB2 3.300 . 3.800 3.048 2.789 3.706 . 0 0 "[ . 1 . 2]" 1
912 1 66 PRO HA 1 69 LEU MD1 6.000 . 6.500 3.119 2.370 5.385 . 0 0 "[ . 1 . 2]" 1
913 1 66 PRO HA 1 69 LEU MD2 6.000 . 6.500 4.646 3.412 5.209 . 0 0 "[ . 1 . 2]" 1
914 1 69 LEU HA 1 69 LEU HB3 2.700 . 3.200 2.608 2.508 3.008 . 0 0 "[ . 1 . 2]" 1
915 1 69 LEU HA 1 69 LEU MD1 3.300 . 3.800 3.388 1.945 3.827 0.027 19 0 "[ . 1 . 2]" 1
916 1 69 LEU HA 1 69 LEU MD2 3.300 . 3.800 2.452 1.948 3.633 . 0 0 "[ . 1 . 2]" 1
917 1 69 LEU HB3 1 69 LEU MD2 3.300 . 3.800 2.310 2.152 3.208 . 0 0 "[ . 1 . 2]" 1
918 1 69 LEU HA 1 69 LEU HG 3.300 . 3.800 2.725 2.092 3.590 . 0 0 "[ . 1 . 2]" 1
919 1 70 THR HA 1 70 THR HB 2.700 . 3.200 2.624 2.437 3.038 . 0 0 "[ . 1 . 2]" 1
920 1 70 THR HA 1 70 THR MG 2.700 . 3.200 2.368 2.166 3.218 0.018 9 0 "[ . 1 . 2]" 1
921 1 55 VAL MG1 1 71 MET QB 6.000 . 6.500 2.268 1.834 2.749 . 0 0 "[ . 1 . 2]" 1
922 1 68 PHE HA 1 71 MET HB3 6.000 . 6.500 3.293 3.049 3.858 . 0 0 "[ . 1 . 2]" 1
923 1 71 MET HA 1 71 MET HG3 2.700 . 3.200 2.670 2.468 3.420 0.220 16 0 "[ . 1 . 2]" 1
924 1 68 PHE HA 1 71 MET ME 6.000 . 6.500 3.324 2.469 5.761 . 0 0 "[ . 1 . 2]" 1
925 1 12 PHE HZ 1 72 MET HG2 6.000 . 6.500 4.300 1.980 6.502 0.002 18 0 "[ . 1 . 2]" 1
926 1 72 MET HA 1 72 MET HG2 3.300 . 3.800 3.135 2.253 3.762 . 0 0 "[ . 1 . 2]" 1
927 1 70 THR HA 1 73 ALA MB 4.000 . 4.500 3.276 2.990 3.594 . 0 0 "[ . 1 . 2]" 1
928 1 71 MET HA 1 74 ARG QB 3.300 . 3.800 2.742 2.389 3.236 . 0 0 "[ . 1 . 2]" 1
929 1 74 ARG HA 1 74 ARG HD3 3.300 . 3.800 3.337 2.100 4.061 0.261 5 0 "[ . 1 . 2]" 1
930 1 74 ARG HB3 1 74 ARG QD 2.700 . 3.200 2.947 2.109 3.324 0.124 1 0 "[ . 1 . 2]" 1
931 1 74 ARG HA 1 74 ARG QG 3.300 . 3.800 2.544 2.136 2.922 . 0 0 "[ . 1 . 2]" 1
932 1 74 ARG HD2 1 74 ARG HG3 2.700 . 3.200 2.498 2.284 3.037 . 0 0 "[ . 1 . 2]" 1
933 1 45 GLU HA 1 48 LEU QB 6.000 . 6.500 2.105 1.975 2.398 . 0 0 "[ . 1 . 2]" 1
934 1 45 GLU HA 1 48 LEU MD1 6.000 . 6.500 2.294 1.994 2.646 . 0 0 "[ . 1 . 2]" 1
935 1 11 GLU QB 1 12 PHE HA 6.000 . 6.500 3.983 3.862 4.710 . 0 0 "[ . 1 . 2]" 1
936 1 19 PHE HA 1 19 PHE QE 6.000 . 6.500 4.265 4.114 4.501 . 0 0 "[ . 1 . 2]" 1
937 1 16 PHE QE 1 26 THR HA 6.000 . 6.500 4.045 3.625 4.375 . 0 0 "[ . 1 . 2]" 1
938 1 26 THR HB 1 27 ILE HA 6.000 . 6.500 4.893 4.843 4.940 . 0 0 "[ . 1 . 2]" 1
939 1 27 ILE HB 1 63 ILE HG12 6.000 . 6.500 5.263 4.085 5.904 . 0 0 "[ . 1 . 2]" 1
940 1 27 ILE MG 1 28 THR HA 6.000 . 6.500 4.032 3.864 4.277 . 0 0 "[ . 1 . 2]" 1
941 1 28 THR HA 1 52 ILE MD 6.000 . 6.500 4.005 3.363 4.598 . 0 0 "[ . 1 . 2]" 1
942 1 29 THR HA 1 52 ILE HG13 6.000 . 6.500 4.816 4.222 5.502 . 0 0 "[ . 1 . 2]" 1
943 1 29 THR HA 1 32 LEU MD1 6.000 . 6.500 5.190 4.050 5.781 . 0 0 "[ . 1 . 2]" 1
944 1 29 THR HB 1 49 GLN HA 6.000 . 6.500 5.182 4.801 5.430 . 0 0 "[ . 1 . 2]" 1
945 1 29 THR HB 1 45 GLU HB3 6.000 . 6.500 5.168 3.890 6.531 0.031 16 0 "[ . 1 . 2]" 1
946 1 29 THR MG 1 49 GLN HA 6.000 . 6.500 2.858 2.351 3.187 . 0 0 "[ . 1 . 2]" 1
947 1 29 THR MG 1 49 GLN HG2 6.000 . 6.500 4.375 3.206 4.916 . 0 0 "[ . 1 . 2]" 1
948 1 29 THR MG 1 52 ILE MG 6.000 . 6.500 3.651 3.334 4.065 . 0 0 "[ . 1 . 2]" 1
949 1 32 LEU HA 1 36 MET HB2 6.000 . 6.500 5.988 5.580 6.734 0.234 10 0 "[ . 1 . 2]" 1
950 1 19 PHE QD 1 32 LEU HA 6.000 . 6.500 4.071 3.600 4.973 . 0 0 "[ . 1 . 2]" 1
951 1 32 LEU HB3 1 52 ILE MD 6.000 . 6.500 4.906 4.384 5.220 . 0 0 "[ . 1 . 2]" 1
952 1 29 THR MG 1 32 LEU HB3 6.000 . 6.500 4.661 4.416 5.108 . 0 0 "[ . 1 . 2]" 1
953 1 29 THR HB 1 32 LEU HB3 6.000 . 6.500 5.075 4.756 5.316 . 0 0 "[ . 1 . 2]" 1
954 1 33 GLY HA3 1 36 MET HB3 6.000 . 6.500 6.071 5.480 6.486 . 0 0 "[ . 1 . 2]" 1
955 1 32 LEU QB 1 33 GLY QA 6.000 . 6.500 3.823 3.605 3.878 . 0 0 "[ . 1 . 2]" 1
956 1 35 VAL HA 1 37 ARG HB3 6.000 . 6.500 5.310 4.693 6.539 0.039 1 0 "[ . 1 . 2]" 1
957 1 19 PHE HZ 1 35 VAL HB 6.000 . 6.500 5.287 3.293 5.964 . 0 0 "[ . 1 . 2]" 1
958 1 19 PHE QD 1 35 VAL HB 6.000 . 6.500 4.855 4.307 5.552 . 0 0 "[ . 1 . 2]" 1
959 1 19 PHE HZ 1 35 VAL MG2 6.000 . 6.500 4.453 3.142 5.558 . 0 0 "[ . 1 . 2]" 1
960 1 36 MET HB3 1 42 ASN HA 6.000 . 6.500 3.412 2.161 5.215 . 0 0 "[ . 1 . 2]" 1
961 1 37 ARG QG 1 42 ASN HA 6.000 . 6.500 3.938 3.065 4.949 . 0 0 "[ . 1 . 2]" 1
962 1 36 MET HG2 1 42 ASN HA 6.000 . 6.500 5.477 3.563 6.434 . 0 0 "[ . 1 . 2]" 1
963 1 36 MET HG3 1 42 ASN HA 6.000 . 6.500 5.080 2.279 6.033 . 0 0 "[ . 1 . 2]" 1
964 1 46 ALA MB 1 47 GLU HB2 6.000 . 6.500 3.694 3.484 4.118 . 0 0 "[ . 1 . 2]" 1
965 1 48 LEU HA 1 51 MET HB2 6.000 . 6.500 3.204 2.928 5.017 . 0 0 "[ . 1 . 2]" 1
966 1 48 LEU HA 1 51 MET HB3 6.000 . 6.500 4.570 4.268 4.872 . 0 0 "[ . 1 . 2]" 1
967 1 48 LEU HA 1 52 ILE MD 6.000 . 6.500 4.718 3.788 5.245 . 0 0 "[ . 1 . 2]" 1
968 1 48 LEU HB3 1 52 ILE MD 6.000 . 6.500 4.068 2.728 5.136 . 0 0 "[ . 1 . 2]" 1
969 1 45 GLU HB3 1 48 LEU HB2 6.000 . 6.500 4.499 4.373 4.667 . 0 0 "[ . 1 . 2]" 1
970 1 45 GLU HB2 1 48 LEU HB2 6.000 . 6.500 4.881 4.313 5.162 . 0 0 "[ . 1 . 2]" 1
971 1 46 ALA HA 1 49 GLN HB2 6.000 . 6.500 3.548 3.334 3.851 . 0 0 "[ . 1 . 2]" 1
972 1 29 THR HA 1 52 ILE HB 6.000 . 6.500 6.618 6.399 6.739 0.239 16 0 "[ . 1 . 2]" 1
973 1 29 THR MG 1 52 ILE HB 6.000 . 6.500 3.710 3.452 4.011 . 0 0 "[ . 1 . 2]" 1
974 1 49 GLN HA 1 52 ILE HG13 6.000 . 6.500 3.860 3.494 4.207 . 0 0 "[ . 1 . 2]" 1
975 1 51 MET HB3 1 52 ILE HG13 6.000 . 6.500 4.835 3.866 5.845 . 0 0 "[ . 1 . 2]" 1
976 1 51 MET HB2 1 52 ILE HG13 6.000 . 6.500 3.823 2.903 4.722 . 0 0 "[ . 1 . 2]" 1
977 1 52 ILE MG 1 63 ILE QG 6.000 . 6.500 2.397 1.798 3.032 0.002 8 0 "[ . 1 . 2]" 1
978 1 54 GLU HB3 1 55 VAL HA 6.000 . 6.500 4.570 4.365 5.778 . 0 0 "[ . 1 . 2]" 1
979 1 55 VAL HB 1 71 MET ME 6.000 . 6.500 4.674 2.990 5.600 . 0 0 "[ . 1 . 2]" 1
980 1 58 ASP HB2 1 60 ASN HA 6.000 . 6.500 5.273 5.099 5.427 . 0 0 "[ . 1 . 2]" 1
981 1 58 ASP HB2 1 60 ASN HB3 6.000 . 6.500 3.730 3.590 3.818 . 0 0 "[ . 1 . 2]" 1
982 1 52 ILE MD 1 62 THR HA 6.000 . 6.500 3.076 2.500 3.647 . 0 0 "[ . 1 . 2]" 1
983 1 28 THR HB 1 62 THR HB 6.000 . 6.500 6.229 5.709 6.585 0.085 12 0 "[ . 1 . 2]" 1
984 1 27 ILE HA 1 62 THR HB 6.000 . 6.500 5.733 5.308 6.248 . 0 0 "[ . 1 . 2]" 1
985 1 26 THR MG 1 62 THR HB 6.000 . 6.500 4.016 3.609 4.468 . 0 0 "[ . 1 . 2]" 1
986 1 28 THR HA 1 62 THR MG 6.000 . 6.500 3.355 2.847 3.883 . 0 0 "[ . 1 . 2]" 1
987 1 28 THR HB 1 62 THR MG 6.000 . 6.500 4.679 4.168 5.396 . 0 0 "[ . 1 . 2]" 1
988 1 27 ILE HG12 1 63 ILE HB 6.000 . 6.500 5.308 3.790 5.967 . 0 0 "[ . 1 . 2]" 1
989 1 52 ILE MG 1 63 ILE MD 6.000 . 6.500 3.329 2.479 4.036 . 0 0 "[ . 1 . 2]" 1
990 1 27 ILE HG12 1 63 ILE MD 6.000 . 6.500 5.746 4.325 6.523 0.023 12 0 "[ . 1 . 2]" 1
991 1 26 THR HA 1 64 ASP HB3 6.000 . 6.500 5.510 5.080 6.061 . 0 0 "[ . 1 . 2]" 1
992 1 66 PRO HA 1 69 LEU HB3 6.000 . 6.500 4.487 3.531 4.700 . 0 0 "[ . 1 . 2]" 1
993 1 65 PHE HB2 1 66 PRO HD3 6.000 . 6.500 3.006 2.116 3.617 . 0 0 "[ . 1 . 2]" 1
994 1 68 PHE HA 1 69 LEU HB2 6.000 . 6.500 5.658 5.526 5.752 . 0 0 "[ . 1 . 2]" 1
995 1 69 LEU HA 1 72 MET HB3 6.000 . 6.500 3.435 2.741 4.844 . 0 0 "[ . 1 . 2]" 1
996 1 69 LEU HA 1 72 MET HB2 6.000 . 6.500 3.504 2.791 4.057 . 0 0 "[ . 1 . 2]" 1
997 1 69 LEU HB3 1 72 MET HB2 6.000 . 6.500 5.824 4.777 6.565 0.065 7 0 "[ . 1 . 2]" 1
998 1 69 LEU HG 1 72 MET HB2 6.000 . 6.500 5.862 5.090 6.514 0.014 10 0 "[ . 1 . 2]" 1
999 1 68 PHE QE 1 69 LEU MD1 6.000 . 6.500 5.279 3.797 6.140 . 0 0 "[ . 1 . 2]" 1
1000 1 12 PHE HB2 1 69 LEU MD1 6.000 . 6.500 3.414 2.085 4.191 . 0 0 "[ . 1 . 2]" 1
1001 1 12 PHE HB3 1 69 LEU MD1 6.000 . 6.500 3.314 1.935 4.601 . 0 0 "[ . 1 . 2]" 1
1002 1 12 PHE HZ 1 73 ALA HA 6.000 . 6.500 5.413 4.351 6.521 0.021 14 0 "[ . 1 . 2]" 1
1003 1 70 THR HB 1 74 ARG HB2 6.000 . 6.500 5.110 4.056 6.537 0.037 9 0 "[ . 1 . 2]" 1
1004 1 71 MET HB2 1 74 ARG HB3 6.000 . 6.500 5.575 4.890 6.572 0.072 13 0 "[ . 1 . 2]" 1
1005 1 27 ILE MG 1 63 ILE MD 6.000 . 6.500 3.598 2.127 4.293 . 0 0 "[ . 1 . 2]" 1
1006 1 16 PHE QE 1 27 ILE MD 6.000 . 6.500 3.514 2.831 4.422 . 0 0 "[ . 1 . 2]" 1
1007 1 19 PHE HB3 1 27 ILE HG12 6.000 . 6.500 3.266 2.661 4.130 . 0 0 "[ . 1 . 2]" 1
1008 1 15 ALA MB 1 68 PHE HE2 6.000 . 6.500 5.415 3.780 6.578 0.078 9 0 "[ . 1 . 2]" 1
1009 1 55 VAL MG2 1 71 MET HG3 6.000 . 6.500 2.505 2.007 3.440 . 0 0 "[ . 1 . 2]" 1
1010 1 52 ILE QG 1 55 VAL MG2 6.000 . 6.500 5.058 4.536 5.717 . 0 0 "[ . 1 . 2]" 1
1011 1 55 VAL MG2 1 71 MET HA 6.000 . 6.500 4.215 3.175 5.255 . 0 0 "[ . 1 . 2]" 1
1012 1 52 ILE HA 1 55 VAL MG1 6.000 . 6.500 4.202 3.835 4.469 . 0 0 "[ . 1 . 2]" 1
1013 1 58 ASP HA 1 59 GLY HA3 6.000 . 6.500 4.574 4.556 4.622 . 0 0 "[ . 1 . 2]" 1
1014 1 59 GLY HA2 1 60 ASN HA 6.000 . 6.500 4.787 4.770 4.836 . 0 0 "[ . 1 . 2]" 1
1015 1 52 ILE MG 1 61 GLY HA3 6.000 . 6.500 3.920 3.372 4.775 . 0 0 "[ . 1 . 2]" 1
1016 1 52 ILE MG 1 61 GLY HA2 6.000 . 6.500 2.795 2.210 3.603 . 0 0 "[ . 1 . 2]" 1
1017 1 26 THR HA 1 27 ILE HG12 6.000 . 6.500 4.857 3.493 5.045 . 0 0 "[ . 1 . 2]" 1
1018 1 26 THR HA 1 68 PHE HB2 6.000 . 6.500 6.525 6.389 6.654 0.154 12 0 "[ . 1 . 2]" 1
1019 1 57 ALA MB 1 67 GLU HG2 6.000 . 6.500 2.303 1.909 4.223 . 0 0 "[ . 1 . 2]" 1
1020 1 64 ASP HA 1 66 PRO HD3 6.000 . 6.500 5.198 5.072 5.333 . 0 0 "[ . 1 . 2]" 1
1021 1 12 PHE HZ 1 69 LEU HA 6.000 . 6.500 5.677 3.417 6.455 . 0 0 "[ . 1 . 2]" 1
1022 1 10 ALA MB 1 11 GLU HA 6.000 . 6.500 3.860 3.747 3.971 . 0 0 "[ . 1 . 2]" 1
1023 1 66 PRO HB2 1 67 GLU HB3 6.000 . 6.500 6.008 5.612 6.172 . 0 0 "[ . 1 . 2]" 1
1024 1 1 ALA HA 1 2 ASP HB2 6.000 . 6.500 5.053 4.239 5.787 . 0 0 "[ . 1 . 2]" 1
1025 1 1 ALA HA 1 3 GLN HB2 6.000 . 6.500 5.923 4.273 6.592 0.092 5 0 "[ . 1 . 2]" 1
1026 1 3 GLN HA 1 3 GLN QG 3.300 . 3.800 2.545 2.222 3.439 . 0 0 "[ . 1 . 2]" 1
1027 1 3 GLN HA 1 4 LEU HA 6.000 . 6.500 4.639 4.405 4.887 . 0 0 "[ . 1 . 2]" 1
1028 1 4 LEU HB2 1 4 LEU MD1 3.300 . 3.800 2.298 2.148 2.404 . 0 0 "[ . 1 . 2]" 1
1029 1 4 LEU HB3 1 4 LEU MD2 3.300 . 3.800 2.250 2.147 2.370 . 0 0 "[ . 1 . 2]" 1
1030 1 4 LEU HB2 1 4 LEU MD2 3.300 . 3.800 3.179 2.944 3.208 . 0 0 "[ . 1 . 2]" 1
1031 1 4 LEU HA 1 4 LEU HG 2.700 . 3.200 2.972 2.803 3.502 0.302 4 0 "[ . 1 . 2]" 1
1032 1 5 THR HA 1 5 THR HB 2.700 . 3.200 2.643 2.451 2.981 . 0 0 "[ . 1 . 2]" 1
1033 1 5 THR HA 1 5 THR MG 2.700 . 3.200 2.192 2.031 2.404 . 0 0 "[ . 1 . 2]" 1
1034 1 5 THR HA 1 6 GLU QG 6.000 . 6.500 4.103 3.732 5.084 . 0 0 "[ . 1 . 2]" 1
1035 1 30 LYS HA 1 30 LYS HG2 3.300 . 3.800 2.639 2.385 3.774 . 0 0 "[ . 1 . 2]" 1
1036 1 30 LYS QE 1 30 LYS HG2 3.300 . 3.800 2.569 2.364 3.313 . 0 0 "[ . 1 . 2]" 1
1037 1 56 ASP HA 1 56 ASP HB3 2.700 . 3.200 2.666 2.594 2.792 . 0 0 "[ . 1 . 2]" 1
1038 1 9 ILE MG 1 13 LYS HE2 6.000 . 6.500 3.935 2.037 6.510 0.010 3 0 "[ . 1 . 2]" 1
1039 1 16 PHE HA 1 19 PHE QD 6.000 . 6.500 3.677 2.827 4.896 . 0 0 "[ . 1 . 2]" 1
1040 1 16 PHE HA 1 27 ILE MD 6.000 . 6.500 3.791 3.218 4.222 . 0 0 "[ . 1 . 2]" 1
1041 1 15 ALA MB 1 16 PHE HA 6.000 . 6.500 3.842 3.722 3.927 . 0 0 "[ . 1 . 2]" 1
1042 1 27 ILE MD 1 63 ILE HB 6.000 . 6.500 3.515 2.902 5.182 . 0 0 "[ . 1 . 2]" 1
1043 1 54 GLU QB 1 55 VAL MG2 6.000 . 6.500 2.727 2.498 3.537 . 0 0 "[ . 1 . 2]" 1
1044 1 22 ASP HB3 1 24 ASP HB2 6.000 . 6.500 4.524 4.264 4.873 . 0 0 "[ . 1 . 2]" 1
1045 1 37 ARG HD3 1 41 GLN HA 6.000 . 6.500 5.110 2.304 6.318 . 0 0 "[ . 1 . 2]" 1
1046 1 16 PHE QE 1 63 ILE MG 6.000 . 6.500 4.320 3.280 5.326 . 0 0 "[ . 1 . 2]" 1
1047 1 56 ASP HA 1 63 ILE MD 6.000 . 6.500 5.746 5.048 6.535 0.035 14 0 "[ . 1 . 2]" 1
1048 1 43 PRO QG 1 44 THR HA 6.000 . 6.500 4.579 4.471 4.698 . 0 0 "[ . 1 . 2]" 1
1049 1 12 PHE QB 1 69 LEU MD2 6.000 . 6.500 2.195 1.776 4.334 0.024 13 0 "[ . 1 . 2]" 1
1050 1 45 GLU QB 1 48 LEU MD1 6.000 . 6.500 3.909 3.357 4.226 . 0 0 "[ . 1 . 2]" 1
1051 1 9 ILE MG 1 13 LYS HE3 6.000 . 6.500 3.933 2.115 6.328 . 0 0 "[ . 1 . 2]" 1
1052 1 9 ILE HB 1 10 ALA HA 6.000 . 6.500 4.388 4.262 4.519 . 0 0 "[ . 1 . 2]" 1
1053 1 10 ALA MB 1 11 GLU QG 6.000 . 6.500 3.581 3.060 5.358 . 0 0 "[ . 1 . 2]" 1
1054 1 18 LEU HB3 1 19 PHE HA 6.000 . 6.500 4.342 4.175 4.410 . 0 0 "[ . 1 . 2]" 1
1055 1 19 PHE QE 1 32 LEU MD1 6.000 . 6.500 2.497 1.832 3.589 . 0 0 "[ . 1 . 2]" 1
1056 1 18 LEU MD2 1 19 PHE HA 6.000 . 6.500 4.614 2.903 5.343 . 0 0 "[ . 1 . 2]" 1
1057 1 35 VAL HB 1 36 MET HG3 6.000 . 6.500 3.690 3.045 5.538 . 0 0 "[ . 1 . 2]" 1
1058 1 33 GLY HA3 1 48 LEU MD2 6.000 . 6.500 4.065 3.716 4.531 . 0 0 "[ . 1 . 2]" 1
1059 1 36 MET HA 1 39 LEU HB3 6.000 . 6.500 3.400 2.228 4.517 . 0 0 "[ . 1 . 2]" 1
1060 1 64 ASP HB2 1 66 PRO HD2 3.300 . 3.800 2.632 2.457 3.241 . 0 0 "[ . 1 . 2]" 1
1061 1 69 LEU QB 1 70 THR HA 6.000 . 6.500 3.905 3.844 3.952 . 0 0 "[ . 1 . 2]" 1
1062 1 3 GLN HB3 1 4 LEU MD1 6.000 . 6.500 5.224 3.885 6.531 0.031 12 0 "[ . 1 . 2]" 1
1063 1 16 PHE HZ 1 65 PHE HA 6.000 . 6.500 4.268 3.538 4.739 . 0 0 "[ . 1 . 2]" 1
1064 1 13 LYS HB2 1 14 GLU HA 6.000 . 6.500 4.832 4.179 5.758 . 0 0 "[ . 1 . 2]" 1
1065 1 16 PHE QD 1 27 ILE MD 6.000 . 6.500 3.776 3.186 4.450 . 0 0 "[ . 1 . 2]" 1
1066 1 16 PHE HZ 1 27 ILE MD 6.000 . 6.500 4.468 3.658 5.640 . 0 0 "[ . 1 . 2]" 1
1067 1 35 VAL MG1 1 36 MET QG 6.000 . 6.500 3.380 3.113 4.596 . 0 0 "[ . 1 . 2]" 1
1068 1 71 MET ME 1 72 MET HA 6.000 . 6.500 4.100 3.411 5.790 . 0 0 "[ . 1 . 2]" 1
1069 1 71 MET HB3 1 72 MET HA 6.000 . 6.500 4.233 3.997 4.349 . 0 0 "[ . 1 . 2]" 1
1070 1 34 THR HB 1 35 VAL HB 6.000 . 6.500 4.783 4.618 4.884 . 0 0 "[ . 1 . 2]" 1
1071 1 47 GLU HB3 1 48 LEU HA 6.000 . 6.500 4.357 4.251 4.511 . 0 0 "[ . 1 . 2]" 1
1072 1 51 MET HA 1 54 GLU QB 6.000 . 6.500 3.500 3.352 4.148 . 0 0 "[ . 1 . 2]" 1
1073 1 65 PHE HA 1 69 LEU QB 6.000 . 6.500 5.344 4.670 5.654 . 0 0 "[ . 1 . 2]" 1
1074 1 66 PRO HG2 1 67 GLU HB3 6.000 . 6.500 5.275 4.554 5.444 . 0 0 "[ . 1 . 2]" 1
1075 1 44 THR HA 1 45 GLU QG 6.000 . 6.500 3.691 3.645 3.847 . 0 0 "[ . 1 . 2]" 1
1076 1 31 GLU HA 1 34 THR HB 6.000 . 6.500 4.045 3.649 4.341 . 0 0 "[ . 1 . 2]" 1
1077 1 8 GLN HA 1 11 GLU QG 6.000 . 6.500 3.331 2.435 4.628 . 0 0 "[ . 1 . 2]" 1
1078 1 12 PHE QB 1 65 PHE QE 6.000 . 6.500 3.730 2.307 4.862 . 0 0 "[ . 1 . 2]" 1
1079 1 32 LEU MD2 1 48 LEU HA 6.000 . 6.500 5.268 4.151 6.677 0.177 4 0 "[ . 1 . 2]" 1
1080 1 32 LEU MD2 1 52 ILE QG 6.000 . 6.500 4.844 3.821 5.903 . 0 0 "[ . 1 . 2]" 1
1081 1 55 VAL MG2 1 68 PHE HA 6.000 . 6.500 5.300 4.825 6.058 . 0 0 "[ . 1 . 2]" 1
1082 1 33 GLY HA2 1 37 ARG HG3 6.000 . 6.500 6.023 4.381 6.769 0.269 7 0 "[ . 1 . 2]" 1
1083 1 43 PRO QB 1 48 LEU MD2 6.000 . 6.500 3.497 2.461 4.740 . 0 0 "[ . 1 . 2]" 1
1084 1 41 GLN HB2 1 43 PRO HD2 6.000 . 6.500 6.651 6.398 6.889 0.389 2 0 "[ . 1 . 2]" 1
1085 1 46 ALA MB 1 49 GLN QB 6.000 . 6.500 4.361 4.266 4.518 . 0 0 "[ . 1 . 2]" 1
1086 1 65 PHE HZ 1 69 LEU MD1 6.000 . 6.500 4.656 2.555 6.564 0.064 14 0 "[ . 1 . 2]" 1
1087 1 51 MET QB 1 71 MET ME 6.000 . 6.500 5.495 3.756 6.280 . 0 0 "[ . 1 . 2]" 1
1088 1 52 ILE HG12 1 62 THR HA 6.000 . 6.500 5.070 4.218 6.114 . 0 0 "[ . 1 . 2]" 1
1089 1 16 PHE HZ 1 64 ASP HA 6.000 . 6.500 3.777 3.012 4.200 . 0 0 "[ . 1 . 2]" 1
1090 1 9 ILE MG 1 13 LYS QE 6.000 . 6.500 3.351 2.019 5.613 . 0 0 "[ . 1 . 2]" 1
1091 1 12 PHE HA 1 65 PHE QE 6.000 . 6.500 5.404 4.112 6.465 . 0 0 "[ . 1 . 2]" 1
1092 1 49 GLN HA 1 52 ILE MD 6.000 . 6.500 3.684 2.188 5.073 . 0 0 "[ . 1 . 2]" 1
1093 1 65 PHE QE 1 69 LEU MD2 6.000 . 6.500 3.800 2.238 5.386 . 0 0 "[ . 1 . 2]" 1
1094 1 12 PHE QE 1 72 MET ME 6.000 . 6.500 2.886 1.950 3.854 . 0 0 "[ . 1 . 2]" 1
1095 1 30 LYS HA 1 30 LYS QE 6.000 . 6.500 4.538 3.837 4.778 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 1273
_Distance_constraint_stats_list.Viol_count 1632
_Distance_constraint_stats_list.Viol_total 5254.643
_Distance_constraint_stats_list.Viol_max 0.621
_Distance_constraint_stats_list.Viol_rms 0.0495
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0103
_Distance_constraint_stats_list.Viol_average_violations_only 0.1610
_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 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 MET 0.060 0.060 7 0 "[ . 1 . 2]"
1 72 MET 0.060 0.060 7 0 "[ . 1 . 2]"
1 74 ARG 0.047 0.047 16 0 "[ . 1 . 2]"
1 75 LYS 2.430 0.292 10 0 "[ . 1 . 2]"
1 76 MET 1.033 0.111 20 0 "[ . 1 . 2]"
1 77 LYS 9.534 0.452 1 0 "[ . 1 . 2]"
1 78 ASP 6.623 0.323 3 0 "[ . 1 . 2]"
1 79 THR 13.168 0.452 1 0 "[ . 1 . 2]"
1 80 ASP 6.400 0.408 20 0 "[ . 1 . 2]"
1 81 SER 6.415 0.398 15 0 "[ . 1 . 2]"
1 82 GLU 3.231 0.249 10 0 "[ . 1 . 2]"
1 83 GLU 6.144 0.398 15 0 "[ . 1 . 2]"
1 84 GLU 1.331 0.334 1 0 "[ . 1 . 2]"
1 85 ILE 5.727 0.324 19 0 "[ . 1 . 2]"
1 86 ARG 8.804 0.321 10 0 "[ . 1 . 2]"
1 87 GLU 0.771 0.161 19 0 "[ . 1 . 2]"
1 88 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 PHE 7.231 0.324 19 0 "[ . 1 . 2]"
1 90 ARG 0.386 0.070 13 0 "[ . 1 . 2]"
1 91 VAL 0.755 0.357 3 0 "[ . 1 . 2]"
1 92 PHE 2.248 0.618 19 1 "[ . 1 . +2]"
1 93 ASP 0.271 0.077 9 0 "[ . 1 . 2]"
1 94 LYS 1.269 0.121 12 0 "[ . 1 . 2]"
1 95 ASP 3.537 0.286 4 0 "[ . 1 . 2]"
1 96 GLY 3.537 0.286 4 0 "[ . 1 . 2]"
1 97 ASN 0.825 0.079 5 0 "[ . 1 . 2]"
1 98 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 TYR 3.908 0.230 20 0 "[ . 1 . 2]"
1 100 ILE 11.112 0.618 19 1 "[ . 1 . +2]"
1 101 SER 8.332 0.483 10 0 "[ . 1 . 2]"
1 102 ALA 6.980 0.363 4 0 "[ . 1 . 2]"
1 103 ALA 0.369 0.095 4 0 "[ . 1 . 2]"
1 104 GLU 7.747 0.363 4 0 "[ . 1 . 2]"
1 105 LEU 9.226 0.339 11 0 "[ . 1 . 2]"
1 106 ARG 2.314 0.190 4 0 "[ . 1 . 2]"
1 107 HIS 2.395 0.273 4 0 "[ . 1 . 2]"
1 108 VAL 4.525 0.300 8 0 "[ . 1 . 2]"
1 109 MET 7.939 0.314 12 0 "[ . 1 . 2]"
1 110 THR 10.189 0.395 11 0 "[ . 1 . 2]"
1 111 ASN 2.652 0.198 18 0 "[ . 1 . 2]"
1 112 LEU 17.307 0.395 11 0 "[ . 1 . 2]"
1 113 GLY 0.015 0.015 16 0 "[ . 1 . 2]"
1 114 GLU 0.368 0.049 19 0 "[ . 1 . 2]"
1 115 LYS 0.173 0.049 19 0 "[ . 1 . 2]"
1 116 LEU 5.145 0.296 13 0 "[ . 1 . 2]"
1 117 THR 7.136 0.315 3 0 "[ . 1 . 2]"
1 118 ASP 6.659 0.315 13 0 "[ . 1 . 2]"
1 119 GLU 13.436 0.315 3 0 "[ . 1 . 2]"
1 120 GLU 9.495 0.261 2 0 "[ . 1 . 2]"
1 121 VAL 11.421 0.293 4 0 "[ . 1 . 2]"
1 122 ASP 11.656 0.490 6 0 "[ . 1 . 2]"
1 123 GLU 16.735 0.446 8 0 "[ . 1 . 2]"
1 124 MET 12.366 0.490 6 0 "[ . 1 . 2]"
1 125 ILE 9.974 0.423 8 0 "[ . 1 . 2]"
1 126 ARG 14.655 0.412 16 0 "[ . 1 . 2]"
1 127 GLU 9.725 0.295 17 0 "[ . 1 . 2]"
1 128 ALA 0.132 0.079 6 0 "[ . 1 . 2]"
1 129 ASP 2.715 0.183 18 0 "[ . 1 . 2]"
1 130 ILE 3.329 0.168 8 0 "[ . 1 . 2]"
1 131 ASP 6.266 0.321 2 0 "[ . 1 . 2]"
1 132 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 ASP 12.352 0.358 12 0 "[ . 1 . 2]"
1 134 GLY 9.649 0.358 12 0 "[ . 1 . 2]"
1 135 GLN 9.578 0.286 20 0 "[ . 1 . 2]"
1 136 VAL 0.452 0.061 15 0 "[ . 1 . 2]"
1 137 ASN 10.003 0.621 18 1 "[ . 1 . + 2]"
1 138 TYR 7.706 0.621 18 1 "[ . 1 . + 2]"
1 139 GLU 2.946 0.411 5 0 "[ . 1 . 2]"
1 140 GLU 13.285 0.387 13 0 "[ . 1 . 2]"
1 141 PHE 8.813 0.579 4 1 "[ +. 1 . 2]"
1 142 VAL 0.744 0.384 11 0 "[ . 1 . 2]"
1 143 GLN 0.857 0.384 11 0 "[ . 1 . 2]"
1 144 MET 0.235 0.147 3 0 "[ . 1 . 2]"
1 145 MET 2.724 0.188 12 0 "[ . 1 . 2]"
1 146 THR 0.232 0.094 19 0 "[ . 1 . 2]"
1 147 ALA 1.688 0.188 12 0 "[ . 1 . 2]"
1 148 LYS 0.754 0.313 15 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 68 PHE QD 1 71 MET ME 6.000 . 6.500 3.826 3.228 6.116 . 0 0 "[ . 1 . 2]" 2
2 1 71 MET ME 1 72 MET QG 6.000 . 6.500 4.819 2.555 6.560 0.060 7 0 "[ . 1 . 2]" 2
3 1 12 PHE HZ 1 72 MET ME 6.000 . 6.500 4.057 2.054 5.533 . 0 0 "[ . 1 . 2]" 2
4 1 12 PHE QD 1 72 MET ME 6.000 . 6.500 3.796 2.320 5.226 . 0 0 "[ . 1 . 2]" 2
5 1 75 LYS H 1 75 LYS HB3 3.300 . 3.800 3.135 2.397 3.537 . 0 0 "[ . 1 . 2]" 2
6 1 75 LYS H 1 75 LYS HB2 3.300 . 3.800 2.327 2.012 2.477 . 0 0 "[ . 1 . 2]" 2
7 1 75 LYS H 1 75 LYS QG 3.300 . 3.800 2.915 2.003 3.986 0.186 20 0 "[ . 1 . 2]" 2
8 1 75 LYS HA 1 76 MET H 3.300 . 3.800 3.577 3.495 3.599 . 0 0 "[ . 1 . 2]" 2
9 1 75 LYS HB3 1 76 MET H 5.000 . 5.500 3.176 2.357 3.860 . 0 0 "[ . 1 . 2]" 2
10 1 75 LYS HB2 1 76 MET H 3.300 . 3.800 3.080 2.198 3.909 0.109 7 0 "[ . 1 . 2]" 2
11 1 75 LYS QG 1 76 MET H 6.000 . 6.500 3.962 3.461 4.755 . 0 0 "[ . 1 . 2]" 2
12 1 75 LYS H 1 76 MET H 5.000 . 5.500 2.753 2.490 2.884 . 0 0 "[ . 1 . 2]" 2
13 1 76 MET H 1 76 MET HA 2.700 . 3.200 2.834 2.808 2.845 . 0 0 "[ . 1 . 2]" 2
14 1 76 MET H 1 76 MET HB2 3.300 . 3.800 2.653 2.285 3.562 . 0 0 "[ . 1 . 2]" 2
15 1 76 MET H 1 76 MET HG2 2.700 . 3.200 2.647 1.976 3.311 0.111 20 0 "[ . 1 . 2]" 2
16 1 76 MET QB 1 78 ASP H 6.000 . 6.500 4.910 4.435 5.567 . 0 0 "[ . 1 . 2]" 2
17 1 77 LYS HA 1 78 ASP H 3.300 . 3.800 3.561 3.526 3.613 . 0 0 "[ . 1 . 2]" 2
18 1 77 LYS QB 1 78 ASP H 5.000 . 5.500 2.785 2.071 3.466 . 0 0 "[ . 1 . 2]" 2
19 1 77 LYS QG 1 78 ASP H 5.000 . 5.500 2.769 1.860 3.947 . 0 0 "[ . 1 . 2]" 2
20 1 78 ASP H 1 78 ASP HA 2.700 . 3.200 2.880 2.863 2.902 . 0 0 "[ . 1 . 2]" 2
21 1 78 ASP H 1 78 ASP HB3 3.300 . 3.800 2.792 2.275 3.528 . 0 0 "[ . 1 . 2]" 2
22 1 78 ASP H 1 78 ASP HB2 2.700 . 3.200 2.484 2.065 3.523 0.323 3 0 "[ . 1 . 2]" 2
23 1 77 LYS QB 1 79 THR H 5.000 . 5.500 4.573 4.187 5.138 . 0 0 "[ . 1 . 2]" 2
24 1 78 ASP HA 1 79 THR H 2.700 . 3.200 3.450 3.386 3.508 0.308 19 0 "[ . 1 . 2]" 2
25 1 78 ASP QB 1 79 THR H 3.300 . 3.800 2.953 2.493 3.724 . 0 0 "[ . 1 . 2]" 2
26 1 79 THR H 1 79 THR HA 2.700 . 3.200 2.965 2.889 2.996 . 0 0 "[ . 1 . 2]" 2
27 1 79 THR H 1 79 THR HB 2.700 . 3.200 2.604 2.230 2.939 . 0 0 "[ . 1 . 2]" 2
28 1 79 THR H 1 79 THR MG 3.300 . 3.800 2.981 1.937 3.763 . 0 0 "[ . 1 . 2]" 2
29 1 79 THR HA 1 80 ASP H 2.700 . 3.200 2.712 2.669 2.794 . 0 0 "[ . 1 . 2]" 2
30 1 79 THR HB 1 80 ASP H 2.700 . 3.200 3.301 2.874 3.608 0.408 20 0 "[ . 1 . 2]" 2
31 1 79 THR MG 1 80 ASP H 3.300 . 3.800 2.152 1.806 2.789 . 0 0 "[ . 1 . 2]" 2
32 1 79 THR H 1 80 ASP H 4.000 . 4.500 4.442 4.285 4.580 0.080 16 0 "[ . 1 . 2]" 2
33 1 80 ASP H 1 80 ASP HA 2.700 . 3.200 3.001 2.992 3.010 . 0 0 "[ . 1 . 2]" 2
34 1 80 ASP H 1 80 ASP HB2 2.700 . 3.200 2.485 2.376 2.609 . 0 0 "[ . 1 . 2]" 2
35 1 80 ASP HA 1 81 SER H 2.700 . 3.200 2.245 2.216 2.285 . 0 0 "[ . 1 . 2]" 2
36 1 80 ASP QB 1 81 SER H 3.300 . 3.800 3.098 2.892 3.271 . 0 0 "[ . 1 . 2]" 2
37 1 81 SER H 1 81 SER HA 2.700 . 3.200 2.858 2.825 2.888 . 0 0 "[ . 1 . 2]" 2
38 1 81 SER H 1 81 SER HB3 2.700 . 3.200 2.427 2.190 2.580 . 0 0 "[ . 1 . 2]" 2
39 1 81 SER H 1 81 SER HB2 2.700 . 3.200 2.640 2.325 3.486 0.286 6 0 "[ . 1 . 2]" 2
40 1 80 ASP HA 1 82 GLU H 3.300 . 3.800 3.936 3.856 4.049 0.249 10 0 "[ . 1 . 2]" 2
41 1 81 SER HA 1 82 GLU H 3.300 . 3.800 3.505 3.488 3.525 . 0 0 "[ . 1 . 2]" 2
42 1 81 SER HB3 1 82 GLU H 3.300 . 3.800 2.988 2.645 3.849 0.049 18 0 "[ . 1 . 2]" 2
43 1 81 SER H 1 82 GLU H 3.300 . 3.800 2.647 2.571 2.738 . 0 0 "[ . 1 . 2]" 2
44 1 82 GLU H 1 82 GLU HA 2.700 . 3.200 2.864 2.853 2.883 . 0 0 "[ . 1 . 2]" 2
45 1 82 GLU H 1 82 GLU HB2 2.700 . 3.200 2.317 2.292 2.358 . 0 0 "[ . 1 . 2]" 2
46 1 82 GLU H 1 82 GLU HG3 3.300 . 3.800 2.298 2.136 3.437 . 0 0 "[ . 1 . 2]" 2
47 1 81 SER HA 1 83 GLU H 3.300 . 3.800 4.057 3.930 4.198 0.398 15 0 "[ . 1 . 2]" 2
48 1 81 SER QB 1 83 GLU H 6.000 . 6.500 4.781 4.609 5.070 . 0 0 "[ . 1 . 2]" 2
49 1 83 GLU H 1 83 GLU HA 2.700 . 3.200 2.898 2.865 2.907 . 0 0 "[ . 1 . 2]" 2
50 1 83 GLU H 1 83 GLU QB 3.300 . 3.800 2.267 2.252 2.322 . 0 0 "[ . 1 . 2]" 2
51 1 83 GLU H 1 83 GLU HG3 2.700 . 3.200 2.263 2.113 2.297 . 0 0 "[ . 1 . 2]" 2
52 1 83 GLU H 1 84 GLU H 2.700 . 3.200 2.630 2.568 2.778 . 0 0 "[ . 1 . 2]" 2
53 1 84 GLU H 1 84 GLU HA 2.700 . 3.200 2.870 2.853 2.890 . 0 0 "[ . 1 . 2]" 2
54 1 84 GLU H 1 84 GLU HB3 3.300 . 3.800 3.421 2.477 3.534 . 0 0 "[ . 1 . 2]" 2
55 1 84 GLU H 1 84 GLU HB2 2.700 . 3.200 2.426 2.283 3.534 0.334 1 0 "[ . 1 . 2]" 2
56 1 84 GLU H 1 84 GLU HG3 2.700 . 3.200 2.265 2.080 3.056 . 0 0 "[ . 1 . 2]" 2
57 1 84 GLU QG 1 85 ILE H 4.000 . 4.500 3.912 2.178 4.159 . 0 0 "[ . 1 . 2]" 2
58 1 84 GLU H 1 85 ILE H 2.700 . 3.200 2.666 2.571 2.752 . 0 0 "[ . 1 . 2]" 2
59 1 85 ILE H 1 85 ILE HA 2.700 . 3.200 2.897 2.884 2.917 . 0 0 "[ . 1 . 2]" 2
60 1 85 ILE H 1 85 ILE HB 2.700 . 3.200 2.364 2.286 2.421 . 0 0 "[ . 1 . 2]" 2
61 1 85 ILE H 1 85 ILE HG13 3.300 . 3.800 2.068 1.974 2.210 . 0 0 "[ . 1 . 2]" 2
62 1 85 ILE H 1 85 ILE HG12 3.300 . 3.800 3.493 3.385 3.647 . 0 0 "[ . 1 . 2]" 2
63 1 83 GLU HA 1 86 ARG H 3.300 . 3.800 3.722 3.545 3.966 0.166 19 0 "[ . 1 . 2]" 2
64 1 85 ILE MG 1 86 ARG H 6.000 . 6.500 3.284 3.099 3.425 . 0 0 "[ . 1 . 2]" 2
65 1 85 ILE H 1 86 ARG H 2.700 . 3.200 2.729 2.618 2.861 . 0 0 "[ . 1 . 2]" 2
66 1 86 ARG H 1 86 ARG HA 2.700 . 3.200 2.823 2.812 2.833 . 0 0 "[ . 1 . 2]" 2
67 1 86 ARG H 1 86 ARG HB3 2.700 . 3.200 3.380 2.283 3.521 0.321 10 0 "[ . 1 . 2]" 2
68 1 86 ARG H 1 86 ARG HB2 2.700 . 3.200 2.436 2.288 3.496 0.296 13 0 "[ . 1 . 2]" 2
69 1 86 ARG H 1 86 ARG HG3 3.300 . 3.800 2.227 1.998 3.494 . 0 0 "[ . 1 . 2]" 2
70 1 86 ARG H 1 86 ARG HG2 3.300 . 3.800 3.239 2.187 3.433 . 0 0 "[ . 1 . 2]" 2
71 1 84 GLU HA 1 87 GLU H 3.300 . 3.800 3.767 3.519 3.937 0.137 13 0 "[ . 1 . 2]" 2
72 1 86 ARG QB 1 87 GLU H 2.700 . 3.200 2.575 2.388 3.361 0.161 19 0 "[ . 1 . 2]" 2
73 1 86 ARG QG 1 87 GLU H 5.000 . 5.500 3.875 1.924 4.136 . 0 0 "[ . 1 . 2]" 2
74 1 86 ARG H 1 87 GLU H 2.700 . 3.200 2.827 2.747 2.879 . 0 0 "[ . 1 . 2]" 2
75 1 87 GLU H 1 87 GLU HA 2.700 . 3.200 2.895 2.885 2.915 . 0 0 "[ . 1 . 2]" 2
76 1 87 GLU H 1 87 GLU HB3 3.300 . 3.800 3.525 3.508 3.553 . 0 0 "[ . 1 . 2]" 2
77 1 87 GLU H 1 87 GLU HB2 2.700 . 3.200 2.281 2.175 2.353 . 0 0 "[ . 1 . 2]" 2
78 1 87 GLU H 1 87 GLU HG3 2.700 . 3.200 2.245 2.055 2.660 . 0 0 "[ . 1 . 2]" 2
79 1 87 GLU H 1 87 GLU HG2 3.300 . 3.800 3.518 3.334 3.617 . 0 0 "[ . 1 . 2]" 2
80 1 84 GLU HA 1 88 ALA H 5.000 . 5.500 4.213 3.986 4.392 . 0 0 "[ . 1 . 2]" 2
81 1 85 ILE HA 1 88 ALA H 3.300 . 3.800 3.635 3.474 3.783 . 0 0 "[ . 1 . 2]" 2
82 1 87 GLU QB 1 88 ALA H 2.700 . 3.200 2.499 2.398 2.640 . 0 0 "[ . 1 . 2]" 2
83 1 88 ALA H 1 88 ALA MB 2.700 . 3.200 2.086 1.942 2.162 . 0 0 "[ . 1 . 2]" 2
84 1 85 ILE HA 1 89 PHE H 3.300 . 3.800 4.041 3.946 4.124 0.324 19 0 "[ . 1 . 2]" 2
85 1 85 ILE MG 1 89 PHE H 6.000 . 6.500 4.014 3.858 4.241 . 0 0 "[ . 1 . 2]" 2
86 1 88 ALA HA 1 89 PHE H 3.300 . 3.800 3.567 3.552 3.586 . 0 0 "[ . 1 . 2]" 2
87 1 88 ALA H 1 89 PHE H 2.700 . 3.200 2.778 2.744 2.834 . 0 0 "[ . 1 . 2]" 2
88 1 89 PHE H 1 92 PHE QB 6.000 . 6.500 5.152 5.046 5.338 . 0 0 "[ . 1 . 2]" 2
89 1 89 PHE H 1 92 PHE H 5.000 . 5.500 5.037 4.934 5.173 . 0 0 "[ . 1 . 2]" 2
90 1 87 GLU HA 1 90 ARG H 6.000 . 6.500 3.800 3.536 3.939 . 0 0 "[ . 1 . 2]" 2
91 1 89 PHE H 1 90 ARG H 2.700 . 3.200 2.683 2.607 2.775 . 0 0 "[ . 1 . 2]" 2
92 1 90 ARG H 1 90 ARG HA 2.700 . 3.200 2.843 2.839 2.847 . 0 0 "[ . 1 . 2]" 2
93 1 90 ARG H 1 90 ARG HB2 2.700 . 3.200 2.383 2.312 2.421 . 0 0 "[ . 1 . 2]" 2
94 1 88 ALA HA 1 91 VAL H 6.000 . 6.500 3.586 3.440 3.849 . 0 0 "[ . 1 . 2]" 2
95 1 89 PHE H 1 91 VAL H 6.000 . 6.500 4.171 4.032 4.374 . 0 0 "[ . 1 . 2]" 2
96 1 90 ARG HA 1 91 VAL H 3.300 . 3.800 3.557 3.533 3.584 . 0 0 "[ . 1 . 2]" 2
97 1 90 ARG H 1 91 VAL H 2.700 . 3.200 2.776 2.746 2.845 . 0 0 "[ . 1 . 2]" 2
98 1 91 VAL H 1 91 VAL HA 2.700 . 3.200 2.894 2.882 2.902 . 0 0 "[ . 1 . 2]" 2
99 1 91 VAL H 1 91 VAL HB 2.700 . 3.200 2.463 2.281 3.557 0.357 3 0 "[ . 1 . 2]" 2
100 1 91 VAL H 1 91 VAL MG1 4.000 . 4.500 3.557 2.094 3.724 . 0 0 "[ . 1 . 2]" 2
101 1 91 VAL H 1 91 VAL MG2 2.700 . 3.200 2.141 1.916 2.376 . 0 0 "[ . 1 . 2]" 2
102 1 88 ALA MB 1 92 PHE H 6.000 . 6.500 4.825 4.729 5.091 . 0 0 "[ . 1 . 2]" 2
103 1 89 PHE HA 1 92 PHE H 6.000 . 6.500 3.670 3.514 3.836 . 0 0 "[ . 1 . 2]" 2
104 1 91 VAL HA 1 92 PHE H 3.300 . 3.800 3.590 3.571 3.609 . 0 0 "[ . 1 . 2]" 2
105 1 91 VAL HB 1 92 PHE H 3.300 . 3.800 2.534 2.226 3.722 . 0 0 "[ . 1 . 2]" 2
106 1 91 VAL MG1 1 92 PHE H 6.000 . 6.500 3.272 3.110 3.921 . 0 0 "[ . 1 . 2]" 2
107 1 91 VAL MG2 1 92 PHE H 6.000 . 6.500 3.631 1.905 3.913 . 0 0 "[ . 1 . 2]" 2
108 1 91 VAL H 1 92 PHE H 2.700 . 3.200 2.704 2.633 2.818 . 0 0 "[ . 1 . 2]" 2
109 1 92 PHE H 1 92 PHE HA 2.700 . 3.200 2.882 2.851 2.901 . 0 0 "[ . 1 . 2]" 2
110 1 92 PHE H 1 92 PHE HB3 3.300 . 3.800 3.473 3.430 3.520 . 0 0 "[ . 1 . 2]" 2
111 1 92 PHE H 1 92 PHE HB2 2.700 . 3.200 2.128 2.064 2.229 . 0 0 "[ . 1 . 2]" 2
112 1 92 PHE H 1 92 PHE QD 2.700 . 3.200 2.448 2.186 2.697 . 0 0 "[ . 1 . 2]" 2
113 1 90 ARG HA 1 93 ASP H 6.000 . 6.500 3.728 3.573 3.899 . 0 0 "[ . 1 . 2]" 2
114 1 91 VAL HB 1 93 ASP H 6.000 . 6.500 4.943 4.735 5.778 . 0 0 "[ . 1 . 2]" 2
115 1 92 PHE H 1 93 ASP HB2 6.000 . 6.500 4.703 4.533 4.847 . 0 0 "[ . 1 . 2]" 2
116 1 92 PHE HA 1 93 ASP H 3.300 . 3.800 3.559 3.542 3.576 . 0 0 "[ . 1 . 2]" 2
117 1 92 PHE HB3 1 93 ASP H 3.300 . 3.800 3.355 3.246 3.460 . 0 0 "[ . 1 . 2]" 2
118 1 92 PHE HB2 1 93 ASP H 3.300 . 3.800 2.756 2.681 2.854 . 0 0 "[ . 1 . 2]" 2
119 1 92 PHE QD 1 93 ASP H 5.000 . 5.500 4.425 4.300 4.522 . 0 0 "[ . 1 . 2]" 2
120 1 92 PHE H 1 93 ASP H 2.700 . 3.200 2.658 2.570 2.750 . 0 0 "[ . 1 . 2]" 2
121 1 93 ASP H 1 93 ASP HA 2.700 . 3.200 2.933 2.913 2.944 . 0 0 "[ . 1 . 2]" 2
122 1 93 ASP H 1 93 ASP HB3 2.700 . 3.200 2.725 2.626 2.853 . 0 0 "[ . 1 . 2]" 2
123 1 93 ASP H 1 93 ASP HB2 2.700 . 3.200 2.258 2.151 2.372 . 0 0 "[ . 1 . 2]" 2
124 1 92 PHE HB3 1 94 LYS H 6.000 . 6.500 5.114 4.934 5.227 . 0 0 "[ . 1 . 2]" 2
125 1 93 ASP HA 1 94 LYS H 2.700 . 3.200 2.485 2.398 2.606 . 0 0 "[ . 1 . 2]" 2
126 1 93 ASP QB 1 94 LYS H 5.000 . 5.500 4.028 4.008 4.043 . 0 0 "[ . 1 . 2]" 2
127 1 94 LYS H 1 94 LYS HA 2.700 . 3.200 2.864 2.840 2.896 . 0 0 "[ . 1 . 2]" 2
128 1 94 LYS H 1 94 LYS HB2 2.700 . 3.200 2.329 2.281 2.403 . 0 0 "[ . 1 . 2]" 2
129 1 94 LYS H 1 94 LYS QG 3.300 . 3.800 2.762 1.989 3.919 0.119 19 0 "[ . 1 . 2]" 2
130 1 94 LYS HA 1 95 ASP H 3.300 . 3.800 3.570 3.548 3.581 . 0 0 "[ . 1 . 2]" 2
131 1 94 LYS HB3 1 95 ASP H 5.000 . 5.500 3.113 2.327 3.547 . 0 0 "[ . 1 . 2]" 2
132 1 94 LYS QD 1 95 ASP H 6.000 . 6.500 4.561 4.284 5.087 . 0 0 "[ . 1 . 2]" 2
133 1 94 LYS QG 1 95 ASP H 6.000 . 6.500 3.887 3.448 4.105 . 0 0 "[ . 1 . 2]" 2
134 1 94 LYS H 1 95 ASP H 3.300 . 3.800 2.736 2.603 2.814 . 0 0 "[ . 1 . 2]" 2
135 1 95 ASP H 1 95 ASP HA 2.700 . 3.200 2.914 2.890 2.943 . 0 0 "[ . 1 . 2]" 2
136 1 95 ASP H 1 95 ASP HB3 3.300 . 3.800 2.565 2.501 2.635 . 0 0 "[ . 1 . 2]" 2
137 1 95 ASP H 1 95 ASP HB2 3.300 . 3.800 3.543 3.529 3.568 . 0 0 "[ . 1 . 2]" 2
138 1 94 LYS QB 1 96 GLY H 6.000 . 6.500 4.406 4.331 4.505 . 0 0 "[ . 1 . 2]" 2
139 1 95 ASP HA 1 96 GLY H 3.300 . 3.800 3.468 3.415 3.506 . 0 0 "[ . 1 . 2]" 2
140 1 95 ASP HB3 1 96 GLY H 5.000 . 5.500 4.110 4.039 4.203 . 0 0 "[ . 1 . 2]" 2
141 1 95 ASP HB2 1 96 GLY H 3.300 . 3.800 3.977 3.890 4.086 0.286 4 0 "[ . 1 . 2]" 2
142 1 96 GLY HA2 1 97 ASN H 2.700 . 3.200 2.922 2.581 3.117 . 0 0 "[ . 1 . 2]" 2
143 1 96 GLY H 1 97 ASN H 5.000 . 5.500 2.720 2.510 3.055 . 0 0 "[ . 1 . 2]" 2
144 1 97 ASN HB3 1 97 ASN QD 2.700 . 3.200 2.835 2.727 2.919 . 0 0 "[ . 1 . 2]" 2
145 1 97 ASN HA 1 97 ASN HD22 5.000 . 5.500 5.388 5.368 5.410 . 0 0 "[ . 1 . 2]" 2
146 1 97 ASN HB3 1 97 ASN HD22 3.300 . 3.800 3.791 3.735 3.833 0.033 2 0 "[ . 1 . 2]" 2
147 1 97 ASN HB2 1 97 ASN HD22 3.300 . 3.800 3.574 3.544 3.613 . 0 0 "[ . 1 . 2]" 2
148 1 97 ASN H 1 97 ASN HA 2.700 . 3.200 2.915 2.871 2.994 . 0 0 "[ . 1 . 2]" 2
149 1 97 ASN H 1 97 ASN HB3 3.300 . 3.800 2.602 2.475 2.912 . 0 0 "[ . 1 . 2]" 2
150 1 97 ASN H 1 97 ASN QD 3.300 . 3.800 3.836 3.787 3.879 0.079 5 0 "[ . 1 . 2]" 2
151 1 93 ASP QB 1 98 GLY H 6.000 . 6.500 4.430 4.109 4.633 . 0 0 "[ . 1 . 2]" 2
152 1 96 GLY QA 1 98 GLY H 6.000 . 6.500 3.161 3.023 3.351 . 0 0 "[ . 1 . 2]" 2
153 1 96 GLY H 1 98 GLY H 6.000 . 6.500 4.428 4.186 4.825 . 0 0 "[ . 1 . 2]" 2
154 1 97 ASN QB 1 98 GLY H 5.000 . 5.500 3.762 3.690 3.886 . 0 0 "[ . 1 . 2]" 2
155 1 97 ASN H 1 98 GLY H 3.300 . 3.800 2.553 2.146 2.705 . 0 0 "[ . 1 . 2]" 2
156 1 98 GLY H 1 98 GLY HA3 2.700 . 3.200 2.983 2.949 2.997 . 0 0 "[ . 1 . 2]" 2
157 1 98 GLY H 1 98 GLY HA2 2.700 . 3.200 2.469 2.387 2.551 . 0 0 "[ . 1 . 2]" 2
158 1 97 ASN QD 1 99 TYR QD 6.000 . 6.500 3.388 2.827 4.088 . 0 0 "[ . 1 . 2]" 2
159 1 97 ASN HD22 1 99 TYR H 6.000 . 6.500 3.089 2.918 3.436 . 0 0 "[ . 1 . 2]" 2
160 1 98 GLY H 1 99 TYR HA 6.000 . 6.500 4.804 4.561 5.035 . 0 0 "[ . 1 . 2]" 2
161 1 98 GLY H 1 99 TYR QD 6.000 . 6.500 4.412 4.097 4.710 . 0 0 "[ . 1 . 2]" 2
162 1 98 GLY HA3 1 99 TYR H 3.300 . 3.800 3.131 3.029 3.231 . 0 0 "[ . 1 . 2]" 2
163 1 98 GLY HA2 1 99 TYR H 3.300 . 3.800 3.462 3.415 3.499 . 0 0 "[ . 1 . 2]" 2
164 1 98 GLY H 1 99 TYR H 2.700 . 3.200 2.515 2.415 2.625 . 0 0 "[ . 1 . 2]" 2
165 1 99 TYR H 1 99 TYR HD1 2.700 . 3.200 2.656 2.317 2.945 . 0 0 "[ . 1 . 2]" 2
166 1 99 TYR QD 1 100 ILE H 4.000 . 4.500 4.019 3.415 4.518 0.018 8 0 "[ . 1 . 2]" 2
167 1 93 ASP H 1 100 ILE QG 4.000 . 4.500 3.850 3.389 4.340 . 0 0 "[ . 1 . 2]" 2
168 1 94 LYS H 1 100 ILE MG 6.000 . 6.500 4.887 4.255 5.605 . 0 0 "[ . 1 . 2]" 2
169 1 99 TYR HA 1 100 ILE H 2.700 . 3.200 2.336 2.270 2.594 . 0 0 "[ . 1 . 2]" 2
170 1 99 TYR QB 1 100 ILE H 3.300 . 3.800 2.939 2.311 3.195 . 0 0 "[ . 1 . 2]" 2
171 1 99 TYR H 1 100 ILE H 6.000 . 6.500 4.411 4.376 4.461 . 0 0 "[ . 1 . 2]" 2
172 1 100 ILE H 1 100 ILE HB 3.300 . 3.800 2.458 2.372 2.583 . 0 0 "[ . 1 . 2]" 2
173 1 100 ILE H 1 100 ILE HG13 2.700 . 3.200 2.170 2.002 2.367 . 0 0 "[ . 1 . 2]" 2
174 1 100 ILE H 1 100 ILE HG12 3.300 . 3.800 3.555 3.309 3.768 . 0 0 "[ . 1 . 2]" 2
175 1 99 TYR QB 1 101 SER H 6.000 . 6.500 5.198 4.811 5.557 . 0 0 "[ . 1 . 2]" 2
176 1 100 ILE HA 1 101 SER H 2.700 . 3.200 2.220 2.144 3.278 0.078 1 0 "[ . 1 . 2]" 2
177 1 100 ILE HB 1 101 SER H 3.300 . 3.800 4.086 2.124 4.283 0.483 10 0 "[ . 1 . 2]" 2
178 1 100 ILE MG 1 101 SER H 3.300 . 3.800 2.741 1.957 2.922 . 0 0 "[ . 1 . 2]" 2
179 1 101 SER H 1 101 SER HB3 3.300 . 3.800 3.430 3.355 3.793 . 0 0 "[ . 1 . 2]" 2
180 1 101 SER H 1 101 SER HB2 2.700 . 3.200 2.121 2.023 3.201 0.001 1 0 "[ . 1 . 2]" 2
181 1 101 SER HA 1 102 ALA H 2.700 . 3.200 2.467 2.277 2.512 . 0 0 "[ . 1 . 2]" 2
182 1 101 SER QB 1 102 ALA H 2.700 . 3.200 2.509 2.398 2.918 . 0 0 "[ . 1 . 2]" 2
183 1 102 ALA H 1 102 ALA HA 2.700 . 3.200 2.877 2.783 2.908 . 0 0 "[ . 1 . 2]" 2
184 1 102 ALA H 1 102 ALA MB 2.700 . 3.200 2.073 1.948 2.167 . 0 0 "[ . 1 . 2]" 2
185 1 101 SER HB3 1 103 ALA H 2.700 . 3.200 2.653 2.551 2.829 . 0 0 "[ . 1 . 2]" 2
186 1 102 ALA HA 1 103 ALA H 3.300 . 3.800 3.551 3.538 3.573 . 0 0 "[ . 1 . 2]" 2
187 1 102 ALA MB 1 103 ALA H 6.000 . 6.500 2.462 2.275 2.599 . 0 0 "[ . 1 . 2]" 2
188 1 102 ALA H 1 103 ALA H 2.700 . 3.200 2.625 2.503 2.934 . 0 0 "[ . 1 . 2]" 2
189 1 103 ALA H 1 103 ALA HA 2.700 . 3.200 2.867 2.850 2.892 . 0 0 "[ . 1 . 2]" 2
190 1 103 ALA H 1 103 ALA MB 3.300 . 3.800 2.088 1.964 2.162 . 0 0 "[ . 1 . 2]" 2
191 1 93 ASP QB 1 95 ASP H 6.000 . 6.500 4.867 4.672 5.035 . 0 0 "[ . 1 . 2]" 2
192 1 100 ILE HA 1 104 GLU H 6.000 . 6.500 5.590 5.426 5.811 . 0 0 "[ . 1 . 2]" 2
193 1 101 SER H 1 104 GLU QG 3.300 . 3.800 2.982 2.767 3.985 0.185 1 0 "[ . 1 . 2]" 2
194 1 101 SER H 1 104 GLU H 3.300 . 3.800 3.786 3.608 3.973 0.173 1 0 "[ . 1 . 2]" 2
195 1 102 ALA H 1 104 GLU H 3.300 . 3.800 4.043 3.940 4.163 0.363 4 0 "[ . 1 . 2]" 2
196 1 103 ALA MB 1 104 GLU H 3.300 . 3.800 2.567 2.446 2.687 . 0 0 "[ . 1 . 2]" 2
197 1 103 ALA H 1 104 GLU H 2.700 . 3.200 2.648 2.577 2.711 . 0 0 "[ . 1 . 2]" 2
198 1 104 GLU H 1 104 GLU HA 2.700 . 3.200 2.875 2.855 2.921 . 0 0 "[ . 1 . 2]" 2
199 1 104 GLU H 1 104 GLU HB2 2.700 . 3.200 2.335 2.304 2.383 . 0 0 "[ . 1 . 2]" 2
200 1 104 GLU H 1 104 GLU HG3 2.700 . 3.200 2.149 2.022 2.214 . 0 0 "[ . 1 . 2]" 2
201 1 104 GLU H 1 104 GLU HG2 2.700 . 3.200 3.302 3.258 3.338 0.138 12 0 "[ . 1 . 2]" 2
202 1 105 LEU H 1 121 VAL MG1 4.000 . 4.500 3.782 3.332 4.149 . 0 0 "[ . 1 . 2]" 2
203 1 101 SER H 1 105 LEU H 6.000 . 6.500 4.650 3.757 4.838 . 0 0 "[ . 1 . 2]" 2
204 1 102 ALA H 1 105 LEU HB2 5.000 . 5.500 5.223 4.858 5.427 . 0 0 "[ . 1 . 2]" 2
205 1 104 GLU HA 1 105 LEU H 3.300 . 3.800 3.553 3.502 3.585 . 0 0 "[ . 1 . 2]" 2
206 1 104 GLU H 1 105 LEU H 2.700 . 3.200 2.688 2.501 2.787 . 0 0 "[ . 1 . 2]" 2
207 1 105 LEU H 1 105 LEU HA 2.700 . 3.200 2.873 2.851 2.898 . 0 0 "[ . 1 . 2]" 2
208 1 105 LEU H 1 105 LEU HB3 2.700 . 3.200 3.070 2.869 3.394 0.194 4 0 "[ . 1 . 2]" 2
209 1 105 LEU H 1 105 LEU HB2 2.700 . 3.200 1.999 1.941 2.077 . 0 0 "[ . 1 . 2]" 2
210 1 105 LEU H 1 105 LEU HG 3.300 . 3.800 3.954 3.840 4.139 0.339 11 0 "[ . 1 . 2]" 2
211 1 103 ALA HA 1 106 ARG H 3.300 . 3.800 3.580 3.305 3.710 . 0 0 "[ . 1 . 2]" 2
212 1 104 GLU H 1 106 ARG H 6.000 . 6.500 4.271 4.136 4.431 . 0 0 "[ . 1 . 2]" 2
213 1 105 LEU H 1 106 ARG QB 6.000 . 6.500 4.356 4.159 4.553 . 0 0 "[ . 1 . 2]" 2
214 1 105 LEU HA 1 106 ARG H 3.300 . 3.800 3.550 3.525 3.563 . 0 0 "[ . 1 . 2]" 2
215 1 105 LEU HB2 1 106 ARG H 3.300 . 3.800 3.153 2.716 3.398 . 0 0 "[ . 1 . 2]" 2
216 1 105 LEU H 1 106 ARG H 2.700 . 3.200 2.673 2.567 2.770 . 0 0 "[ . 1 . 2]" 2
217 1 106 ARG H 1 106 ARG HA 2.700 . 3.200 2.850 2.838 2.870 . 0 0 "[ . 1 . 2]" 2
218 1 106 ARG H 1 106 ARG HB2 2.700 . 3.200 2.388 2.293 2.459 . 0 0 "[ . 1 . 2]" 2
219 1 106 ARG H 1 106 ARG HG2 4.000 . 4.500 4.072 3.377 4.432 . 0 0 "[ . 1 . 2]" 2
220 1 106 ARG H 1 107 HIS H 2.700 . 3.200 2.763 2.645 2.846 . 0 0 "[ . 1 . 2]" 2
221 1 107 HIS H 1 107 HIS HA 2.700 . 3.200 2.842 2.832 2.850 . 0 0 "[ . 1 . 2]" 2
222 1 107 HIS H 1 107 HIS HB3 2.700 . 3.200 2.899 2.459 3.473 0.273 4 0 "[ . 1 . 2]" 2
223 1 107 HIS HA 1 108 VAL H 3.300 . 3.800 3.586 3.562 3.609 . 0 0 "[ . 1 . 2]" 2
224 1 105 LEU MD2 1 108 VAL H 6.000 . 6.500 4.786 4.296 6.559 0.059 4 0 "[ . 1 . 2]" 2
225 1 107 HIS HB3 1 108 VAL H 2.700 . 3.200 2.673 2.318 3.313 0.113 4 0 "[ . 1 . 2]" 2
226 1 107 HIS HB2 1 108 VAL H 3.300 . 3.800 3.349 2.540 3.819 0.019 3 0 "[ . 1 . 2]" 2
227 1 107 HIS H 1 108 VAL H 2.700 . 3.200 2.854 2.751 2.938 . 0 0 "[ . 1 . 2]" 2
228 1 108 VAL H 1 108 VAL HA 2.700 . 3.200 2.907 2.893 2.926 . 0 0 "[ . 1 . 2]" 2
229 1 108 VAL H 1 108 VAL HB 2.700 . 3.200 2.352 2.288 2.393 . 0 0 "[ . 1 . 2]" 2
230 1 108 VAL H 1 108 VAL MG2 2.700 . 3.200 2.176 2.063 2.311 . 0 0 "[ . 1 . 2]" 2
231 1 105 LEU MD2 1 109 MET H 6.000 . 6.500 4.458 3.526 6.291 . 0 0 "[ . 1 . 2]" 2
232 1 108 VAL HA 1 109 MET H 3.300 . 3.800 3.576 3.537 3.608 . 0 0 "[ . 1 . 2]" 2
233 1 108 VAL MG1 1 109 MET H 3.300 . 3.800 3.360 3.166 3.612 . 0 0 "[ . 1 . 2]" 2
234 1 108 VAL MG2 1 109 MET H 6.000 . 6.500 3.855 3.764 3.917 . 0 0 "[ . 1 . 2]" 2
235 1 108 VAL H 1 109 MET H 3.300 . 3.800 2.675 2.483 2.795 . 0 0 "[ . 1 . 2]" 2
236 1 109 MET H 1 109 MET HA 2.700 . 3.200 2.830 2.806 2.848 . 0 0 "[ . 1 . 2]" 2
237 1 109 MET H 1 109 MET HB3 2.700 . 3.200 3.499 3.483 3.514 0.314 12 0 "[ . 1 . 2]" 2
238 1 109 MET H 1 109 MET HB2 2.700 . 3.200 2.323 2.286 2.423 . 0 0 "[ . 1 . 2]" 2
239 1 109 MET H 1 109 MET HG3 2.700 . 3.200 2.612 2.016 3.303 0.103 12 0 "[ . 1 . 2]" 2
240 1 109 MET H 1 109 MET HG2 2.700 . 3.200 2.741 1.912 3.341 0.141 4 0 "[ . 1 . 2]" 2
241 1 106 ARG HA 1 110 THR H 3.300 . 3.800 3.885 3.576 3.990 0.190 4 0 "[ . 1 . 2]" 2
242 1 106 ARG QG 1 110 THR H 6.000 . 6.500 4.527 3.721 5.621 . 0 0 "[ . 1 . 2]" 2
243 1 109 MET HB3 1 110 THR H 3.300 . 3.800 3.399 3.275 3.542 . 0 0 "[ . 1 . 2]" 2
244 1 109 MET HB2 1 110 THR H 3.300 . 3.800 2.434 2.320 2.582 . 0 0 "[ . 1 . 2]" 2
245 1 109 MET H 1 110 THR H 2.700 . 3.200 2.834 2.785 2.913 . 0 0 "[ . 1 . 2]" 2
246 1 110 THR H 1 110 THR HA 2.700 . 3.200 2.876 2.866 2.886 . 0 0 "[ . 1 . 2]" 2
247 1 110 THR H 1 110 THR HB 2.700 . 3.200 2.477 2.407 3.452 0.252 2 0 "[ . 1 . 2]" 2
248 1 110 THR H 1 110 THR MG 3.300 . 3.800 3.662 2.605 3.730 . 0 0 "[ . 1 . 2]" 2
249 1 108 VAL HA 1 111 ASN QD 6.000 . 6.500 3.424 2.398 5.525 . 0 0 "[ . 1 . 2]" 2
250 1 108 VAL HA 1 111 ASN H 3.300 . 3.800 3.526 3.396 3.751 . 0 0 "[ . 1 . 2]" 2
251 1 110 THR HA 1 111 ASN H 3.300 . 3.800 3.547 3.528 3.570 . 0 0 "[ . 1 . 2]" 2
252 1 110 THR HB 1 111 ASN H 2.700 . 3.200 2.493 2.374 3.317 0.117 2 0 "[ . 1 . 2]" 2
253 1 110 THR MG 1 111 ASN H 6.000 . 6.500 3.432 3.322 4.009 . 0 0 "[ . 1 . 2]" 2
254 1 110 THR H 1 111 ASN H 2.700 . 3.200 2.636 2.561 2.698 . 0 0 "[ . 1 . 2]" 2
255 1 111 ASN HA 1 111 ASN QD 3.300 . 3.800 3.605 2.010 3.998 0.198 18 0 "[ . 1 . 2]" 2
256 1 111 ASN HB2 1 111 ASN QD 3.300 . 3.800 2.412 2.250 2.680 . 0 0 "[ . 1 . 2]" 2
257 1 111 ASN HB2 1 111 ASN HD22 3.300 . 3.800 3.591 3.527 3.714 . 0 0 "[ . 1 . 2]" 2
258 1 111 ASN H 1 111 ASN HB2 2.700 . 3.200 2.283 2.196 2.438 . 0 0 "[ . 1 . 2]" 2
259 1 108 VAL HA 1 112 LEU H 3.300 . 3.800 3.999 3.924 4.100 0.300 8 0 "[ . 1 . 2]" 2
260 1 110 THR HA 1 112 LEU H 3.300 . 3.800 4.102 4.029 4.195 0.395 11 0 "[ . 1 . 2]" 2
261 1 110 THR H 1 112 LEU H 3.300 . 3.800 3.881 3.767 3.983 0.183 9 0 "[ . 1 . 2]" 2
262 1 111 ASN HA 1 112 LEU H 6.000 . 6.500 3.521 3.505 3.529 . 0 0 "[ . 1 . 2]" 2
263 1 111 ASN HB2 1 112 LEU H 3.300 . 3.800 3.119 2.698 3.879 0.079 7 0 "[ . 1 . 2]" 2
264 1 111 ASN H 1 112 LEU H 2.700 . 3.200 2.606 2.564 2.643 . 0 0 "[ . 1 . 2]" 2
265 1 112 LEU H 1 112 LEU HA 2.700 . 3.200 2.896 2.889 2.902 . 0 0 "[ . 1 . 2]" 2
266 1 112 LEU H 1 112 LEU HB3 2.700 . 3.200 3.468 3.433 3.497 0.297 11 0 "[ . 1 . 2]" 2
267 1 112 LEU H 1 112 LEU HB2 2.700 . 3.200 2.144 2.070 2.216 . 0 0 "[ . 1 . 2]" 2
268 1 110 THR HA 1 113 GLY H 3.300 . 3.800 3.330 3.179 3.622 . 0 0 "[ . 1 . 2]" 2
269 1 110 THR MG 1 113 GLY H 6.000 . 6.500 4.490 4.276 4.972 . 0 0 "[ . 1 . 2]" 2
270 1 112 LEU HB3 1 113 GLY H 3.300 . 3.800 3.535 3.335 3.649 . 0 0 "[ . 1 . 2]" 2
271 1 112 LEU HB2 1 113 GLY H 3.300 . 3.800 2.797 2.631 2.963 . 0 0 "[ . 1 . 2]" 2
272 1 113 GLY H 1 113 GLY HA3 2.700 . 3.200 2.992 2.986 2.997 . 0 0 "[ . 1 . 2]" 2
273 1 113 GLY H 1 113 GLY HA2 2.700 . 3.200 2.500 2.453 2.559 . 0 0 "[ . 1 . 2]" 2
274 1 110 THR HA 1 114 GLU H 2.700 . 3.200 3.064 2.558 3.248 0.048 16 0 "[ . 1 . 2]" 2
275 1 114 GLU H 1 115 LYS HG2 6.000 . 6.500 5.476 4.744 5.853 . 0 0 "[ . 1 . 2]" 2
276 1 112 LEU QB 1 114 GLU H 6.000 . 6.500 3.247 2.952 3.734 . 0 0 "[ . 1 . 2]" 2
277 1 113 GLY HA3 1 114 GLU H 3.300 . 3.800 3.503 3.428 3.558 . 0 0 "[ . 1 . 2]" 2
278 1 113 GLY HA2 1 114 GLU H 2.700 . 3.200 3.013 2.846 3.215 0.015 16 0 "[ . 1 . 2]" 2
279 1 113 GLY H 1 114 GLU H 2.700 . 3.200 1.998 1.920 2.081 . 0 0 "[ . 1 . 2]" 2
280 1 114 GLU H 1 114 GLU HB2 3.300 . 3.800 2.709 2.323 3.108 . 0 0 "[ . 1 . 2]" 2
281 1 114 GLU H 1 115 LYS HG3 6.000 . 6.500 5.097 4.534 6.549 0.049 19 0 "[ . 1 . 2]" 2
282 1 114 GLU HB3 1 115 LYS H 5.000 . 5.500 3.695 2.986 4.237 . 0 0 "[ . 1 . 2]" 2
283 1 114 GLU H 1 115 LYS H 5.000 . 5.500 4.432 4.330 4.497 . 0 0 "[ . 1 . 2]" 2
284 1 115 LYS H 1 115 LYS HA 2.700 . 3.200 2.986 2.965 3.003 . 0 0 "[ . 1 . 2]" 2
285 1 115 LYS H 1 115 LYS HB2 4.000 . 4.500 2.315 2.265 2.386 . 0 0 "[ . 1 . 2]" 2
286 1 115 LYS H 1 115 LYS HG3 3.300 . 3.800 2.801 2.506 3.761 . 0 0 "[ . 1 . 2]" 2
287 1 112 LEU MD2 1 114 GLU H 6.000 . 6.500 5.614 5.412 6.086 . 0 0 "[ . 1 . 2]" 2
288 1 115 LYS H 1 116 LEU MD2 6.000 . 6.500 4.269 3.660 5.392 . 0 0 "[ . 1 . 2]" 2
289 1 115 LYS HA 1 116 LEU H 2.700 . 3.200 2.214 2.190 2.258 . 0 0 "[ . 1 . 2]" 2
290 1 115 LYS QG 1 116 LEU H 4.500 . 5.000 4.232 3.994 4.673 . 0 0 "[ . 1 . 2]" 2
291 1 115 LYS H 1 116 LEU H 4.500 . 5.000 4.432 4.260 4.548 . 0 0 "[ . 1 . 2]" 2
292 1 116 LEU H 1 116 LEU HA 2.700 . 3.200 2.992 2.923 3.005 . 0 0 "[ . 1 . 2]" 2
293 1 116 LEU H 1 116 LEU HG 4.000 . 4.500 2.928 2.444 4.137 . 0 0 "[ . 1 . 2]" 2
294 1 117 THR H 1 120 GLU HB3 6.000 . 6.500 3.617 2.858 3.855 . 0 0 "[ . 1 . 2]" 2
295 1 116 LEU QB 1 117 THR H 6.000 . 6.500 2.719 2.630 2.798 . 0 0 "[ . 1 . 2]" 2
296 1 116 LEU MD2 1 117 THR H 6.000 . 6.500 3.694 3.331 4.844 . 0 0 "[ . 1 . 2]" 2
297 1 116 LEU H 1 117 THR H 5.000 . 5.500 4.460 4.386 4.493 . 0 0 "[ . 1 . 2]" 2
298 1 117 THR H 1 117 THR HA 2.700 . 3.200 2.944 2.929 2.963 . 0 0 "[ . 1 . 2]" 2
299 1 117 THR H 1 117 THR HB 3.300 . 3.800 3.062 2.682 3.525 . 0 0 "[ . 1 . 2]" 2
300 1 117 THR H 1 117 THR MG 3.300 . 3.800 3.322 2.575 3.732 . 0 0 "[ . 1 . 2]" 2
301 1 117 THR HA 1 118 ASP H 2.700 . 3.200 2.427 2.374 2.492 . 0 0 "[ . 1 . 2]" 2
302 1 117 THR HB 1 118 ASP H 2.700 . 3.200 3.025 2.533 3.337 0.137 4 0 "[ . 1 . 2]" 2
303 1 117 THR MG 1 118 ASP H 3.300 . 3.800 2.623 1.949 3.661 . 0 0 "[ . 1 . 2]" 2
304 1 118 ASP H 1 118 ASP HA 2.700 . 3.200 2.866 2.853 2.879 . 0 0 "[ . 1 . 2]" 2
305 1 118 ASP H 1 118 ASP HB3 2.700 . 3.200 2.962 2.432 3.500 0.300 10 0 "[ . 1 . 2]" 2
306 1 118 ASP H 1 118 ASP HB2 2.700 . 3.200 2.481 2.169 3.515 0.315 13 0 "[ . 1 . 2]" 2
307 1 117 THR HA 1 119 GLU H 3.300 . 3.800 4.046 3.990 4.115 0.315 3 0 "[ . 1 . 2]" 2
308 1 117 THR HB 1 119 GLU H 2.700 . 3.200 2.404 2.254 2.631 . 0 0 "[ . 1 . 2]" 2
309 1 117 THR MG 1 119 GLU H 3.300 . 3.800 3.159 2.383 4.036 0.236 13 0 "[ . 1 . 2]" 2
310 1 118 ASP H 1 121 VAL HB 6.000 . 6.500 5.464 5.127 5.693 . 0 0 "[ . 1 . 2]" 2
311 1 118 ASP H 1 119 GLU QB 6.000 . 6.500 4.470 4.386 4.537 . 0 0 "[ . 1 . 2]" 2
312 1 118 ASP H 1 119 GLU QG 4.000 . 4.500 4.045 3.885 4.161 . 0 0 "[ . 1 . 2]" 2
313 1 118 ASP QB 1 119 GLU H 5.000 . 5.500 2.886 2.667 3.619 . 0 0 "[ . 1 . 2]" 2
314 1 118 ASP H 1 119 GLU H 2.700 . 3.200 2.582 2.506 2.631 . 0 0 "[ . 1 . 2]" 2
315 1 119 GLU H 1 119 GLU HA 2.700 . 3.200 2.897 2.884 2.910 . 0 0 "[ . 1 . 2]" 2
316 1 119 GLU H 1 119 GLU HG3 3.300 . 3.800 2.249 2.052 2.311 . 0 0 "[ . 1 . 2]" 2
317 1 117 THR H 1 120 GLU HA 6.000 . 6.500 5.051 4.893 5.173 . 0 0 "[ . 1 . 2]" 2
318 1 117 THR H 1 120 GLU HB2 6.000 . 6.500 2.368 2.220 2.495 . 0 0 "[ . 1 . 2]" 2
319 1 117 THR HB 1 120 GLU H 3.300 . 3.800 2.804 2.393 3.607 . 0 0 "[ . 1 . 2]" 2
320 1 117 THR MG 1 120 GLU H 6.000 . 6.500 4.120 3.792 4.453 . 0 0 "[ . 1 . 2]" 2
321 1 117 THR H 1 120 GLU H 5.000 . 5.500 3.553 3.438 3.649 . 0 0 "[ . 1 . 2]" 2
322 1 118 ASP H 1 120 GLU H 6.000 . 6.500 4.143 4.045 4.270 . 0 0 "[ . 1 . 2]" 2
323 1 119 GLU H 1 120 GLU H 2.700 . 3.200 2.498 2.462 2.531 . 0 0 "[ . 1 . 2]" 2
324 1 120 GLU H 1 120 GLU HA 2.700 . 3.200 2.890 2.869 2.909 . 0 0 "[ . 1 . 2]" 2
325 1 120 GLU H 1 120 GLU HB3 3.300 . 3.800 3.247 2.724 3.458 . 0 0 "[ . 1 . 2]" 2
326 1 120 GLU H 1 120 GLU HB2 2.700 . 3.200 2.069 1.994 2.215 . 0 0 "[ . 1 . 2]" 2
327 1 102 ALA H 1 121 VAL MG1 6.000 . 6.500 4.716 4.168 5.607 . 0 0 "[ . 1 . 2]" 2
328 1 106 ARG H 1 121 VAL MG1 3.300 . 3.800 2.990 2.411 3.666 . 0 0 "[ . 1 . 2]" 2
329 1 106 ARG H 1 121 VAL MG2 6.000 . 6.500 3.574 3.042 4.215 . 0 0 "[ . 1 . 2]" 2
330 1 116 LEU QB 1 121 VAL H 6.000 . 6.500 4.089 3.857 4.370 . 0 0 "[ . 1 . 2]" 2
331 1 118 ASP HA 1 121 VAL H 2.700 . 3.200 3.307 3.264 3.347 0.147 15 0 "[ . 1 . 2]" 2
332 1 119 GLU H 1 121 VAL H 3.300 . 3.800 4.013 3.919 4.093 0.293 4 0 "[ . 1 . 2]" 2
333 1 120 GLU H 1 121 VAL MG2 6.000 . 6.500 3.982 3.804 4.153 . 0 0 "[ . 1 . 2]" 2
334 1 120 GLU HA 1 121 VAL H 3.300 . 3.800 3.522 3.489 3.548 . 0 0 "[ . 1 . 2]" 2
335 1 120 GLU HB3 1 121 VAL H 2.700 . 3.200 3.002 2.392 3.259 0.059 20 0 "[ . 1 . 2]" 2
336 1 120 GLU HB2 1 121 VAL H 2.700 . 3.200 3.026 2.711 3.456 0.256 13 0 "[ . 1 . 2]" 2
337 1 120 GLU H 1 121 VAL H 2.700 . 3.200 2.539 2.483 2.609 . 0 0 "[ . 1 . 2]" 2
338 1 121 VAL H 1 121 VAL HA 2.700 . 3.200 2.894 2.879 2.909 . 0 0 "[ . 1 . 2]" 2
339 1 121 VAL H 1 121 VAL HB 2.700 . 3.200 2.332 2.260 2.413 . 0 0 "[ . 1 . 2]" 2
340 1 121 VAL H 1 121 VAL MG2 2.700 . 3.200 2.181 2.013 2.347 . 0 0 "[ . 1 . 2]" 2
341 1 119 GLU HA 1 122 ASP H 2.700 . 3.200 3.350 3.259 3.437 0.237 20 0 "[ . 1 . 2]" 2
342 1 120 GLU HB2 1 122 ASP H 6.000 . 6.500 5.278 5.074 5.611 . 0 0 "[ . 1 . 2]" 2
343 1 121 VAL HA 1 122 ASP H 3.300 . 3.800 3.535 3.522 3.545 . 0 0 "[ . 1 . 2]" 2
344 1 121 VAL HB 1 122 ASP H 2.700 . 3.200 2.562 2.504 2.607 . 0 0 "[ . 1 . 2]" 2
345 1 121 VAL MG2 1 122 ASP H 6.000 . 6.500 3.849 3.771 3.921 . 0 0 "[ . 1 . 2]" 2
346 1 122 ASP H 1 122 ASP HA 2.700 . 3.200 2.834 2.830 2.843 . 0 0 "[ . 1 . 2]" 2
347 1 122 ASP H 1 122 ASP HB3 2.700 . 3.200 2.498 2.437 2.571 . 0 0 "[ . 1 . 2]" 2
348 1 122 ASP H 1 122 ASP HB2 2.700 . 3.200 2.377 2.307 2.425 . 0 0 "[ . 1 . 2]" 2
349 1 121 VAL HA 1 123 GLU H 6.000 . 6.500 4.539 4.344 4.722 . 0 0 "[ . 1 . 2]" 2
350 1 122 ASP HA 1 123 GLU H 3.300 . 3.800 3.564 3.538 3.586 . 0 0 "[ . 1 . 2]" 2
351 1 122 ASP HB3 1 123 GLU H 2.700 . 3.200 2.398 2.299 2.531 . 0 0 "[ . 1 . 2]" 2
352 1 122 ASP HB2 1 123 GLU H 3.300 . 3.800 3.743 3.686 3.804 0.004 20 0 "[ . 1 . 2]" 2
353 1 123 GLU H 1 123 GLU HB2 2.700 . 3.200 2.222 2.084 2.305 . 0 0 "[ . 1 . 2]" 2
354 1 123 GLU H 1 123 GLU HG3 3.300 . 3.800 4.170 4.020 4.246 0.446 8 0 "[ . 1 . 2]" 2
355 1 121 VAL HA 1 124 MET H 3.300 . 3.800 3.565 3.450 3.688 . 0 0 "[ . 1 . 2]" 2
356 1 122 ASP H 1 124 MET H 3.300 . 3.800 4.232 4.194 4.290 0.490 6 0 "[ . 1 . 2]" 2
357 1 123 GLU HA 1 124 MET H 3.300 . 3.800 3.571 3.558 3.585 . 0 0 "[ . 1 . 2]" 2
358 1 123 GLU H 1 124 MET H 2.700 . 3.200 2.764 2.735 2.810 . 0 0 "[ . 1 . 2]" 2
359 1 124 MET H 1 124 MET HA 2.700 . 3.200 2.828 2.818 2.840 . 0 0 "[ . 1 . 2]" 2
360 1 124 MET H 1 124 MET HB3 4.000 . 4.500 3.554 3.542 3.569 . 0 0 "[ . 1 . 2]" 2
361 1 124 MET H 1 124 MET HB2 2.700 . 3.200 2.390 2.314 2.487 . 0 0 "[ . 1 . 2]" 2
362 1 124 MET H 1 124 MET HG3 2.700 . 3.200 2.565 2.052 3.319 0.119 13 0 "[ . 1 . 2]" 2
363 1 124 MET H 1 124 MET HG2 3.300 . 3.800 2.836 1.895 3.415 . 0 0 "[ . 1 . 2]" 2
364 1 102 ALA H 1 125 ILE MD 5.000 2.800 5.500 3.867 2.898 4.278 . 0 0 "[ . 1 . 2]" 2
365 1 105 LEU H 1 125 ILE MD 6.000 . 6.500 5.125 4.154 5.850 . 0 0 "[ . 1 . 2]" 2
366 1 121 VAL MG1 1 125 ILE H 6.000 . 6.500 4.435 4.283 4.627 . 0 0 "[ . 1 . 2]" 2
367 1 122 ASP H 1 125 ILE H 6.000 . 6.500 5.025 4.960 5.142 . 0 0 "[ . 1 . 2]" 2
368 1 123 GLU HA 1 125 ILE H 3.300 . 3.800 4.159 4.088 4.223 0.423 8 0 "[ . 1 . 2]" 2
369 1 124 MET H 1 125 ILE QG 4.000 . 4.500 4.152 4.055 4.288 . 0 0 "[ . 1 . 2]" 2
370 1 124 MET HA 1 125 ILE H 3.300 . 3.800 3.541 3.530 3.549 . 0 0 "[ . 1 . 2]" 2
371 1 124 MET HB2 1 125 ILE H 3.300 . 3.800 2.603 2.537 2.679 . 0 0 "[ . 1 . 2]" 2
372 1 125 ILE H 1 125 ILE HA 2.700 . 3.200 2.885 2.871 2.895 . 0 0 "[ . 1 . 2]" 2
373 1 125 ILE H 1 125 ILE HB 2.700 . 3.200 2.390 2.351 2.427 . 0 0 "[ . 1 . 2]" 2
374 1 125 ILE H 1 125 ILE HG13 2.700 . 3.200 2.509 1.970 3.428 0.228 5 0 "[ . 1 . 2]" 2
375 1 123 GLU HA 1 126 ARG H 2.700 . 3.200 3.132 3.081 3.215 0.015 17 0 "[ . 1 . 2]" 2
376 1 125 ILE H 1 126 ARG QB 4.000 . 4.500 4.218 4.113 4.410 . 0 0 "[ . 1 . 2]" 2
377 1 125 ILE HA 1 126 ARG H 3.300 . 3.800 3.550 3.525 3.569 . 0 0 "[ . 1 . 2]" 2
378 1 125 ILE HB 1 126 ARG H 2.700 . 3.200 2.572 2.522 2.636 . 0 0 "[ . 1 . 2]" 2
379 1 125 ILE QG 1 126 ARG H 4.000 . 4.500 3.970 3.918 4.050 . 0 0 "[ . 1 . 2]" 2
380 1 125 ILE MG 1 126 ARG H 6.000 . 6.500 3.476 3.390 3.548 . 0 0 "[ . 1 . 2]" 2
381 1 125 ILE H 1 126 ARG H 2.700 . 3.200 2.613 2.560 2.688 . 0 0 "[ . 1 . 2]" 2
382 1 126 ARG H 1 126 ARG HA 2.700 . 3.200 2.820 2.797 2.831 . 0 0 "[ . 1 . 2]" 2
383 1 126 ARG H 1 126 ARG HB3 2.700 . 3.200 2.763 2.598 3.473 0.273 17 0 "[ . 1 . 2]" 2
384 1 126 ARG H 1 126 ARG HB2 2.700 . 3.200 2.176 2.124 2.272 . 0 0 "[ . 1 . 2]" 2
385 1 126 ARG H 1 126 ARG QD 4.000 . 4.500 4.170 4.098 4.249 . 0 0 "[ . 1 . 2]" 2
386 1 126 ARG H 1 126 ARG HG3 3.300 . 3.800 3.967 2.181 4.212 0.412 16 0 "[ . 1 . 2]" 2
387 1 126 ARG H 1 126 ARG HG2 5.000 . 5.500 4.330 2.702 4.513 . 0 0 "[ . 1 . 2]" 2
388 1 124 MET HA 1 127 GLU H 3.300 . 3.800 3.669 3.547 3.849 0.049 8 0 "[ . 1 . 2]" 2
389 1 125 ILE HA 1 127 GLU H 6.000 . 6.500 4.367 4.189 4.510 . 0 0 "[ . 1 . 2]" 2
390 1 126 ARG HB3 1 127 GLU H 2.700 . 3.200 2.594 2.466 3.400 0.200 17 0 "[ . 1 . 2]" 2
391 1 126 ARG QG 1 127 GLU H 3.300 . 3.800 3.855 3.680 4.084 0.284 8 0 "[ . 1 . 2]" 2
392 1 126 ARG H 1 127 GLU H 2.700 . 3.200 2.804 2.755 2.860 . 0 0 "[ . 1 . 2]" 2
393 1 127 GLU H 1 127 GLU HA 2.700 . 3.200 2.826 2.819 2.837 . 0 0 "[ . 1 . 2]" 2
394 1 127 GLU H 1 127 GLU HB3 2.700 . 3.200 3.482 3.463 3.495 0.295 17 0 "[ . 1 . 2]" 2
395 1 127 GLU H 1 127 GLU HG3 2.700 . 3.200 2.128 2.082 2.385 . 0 0 "[ . 1 . 2]" 2
396 1 125 ILE HA 1 128 ALA H 3.300 . 3.800 3.663 3.522 3.794 . 0 0 "[ . 1 . 2]" 2
397 1 126 ARG QB 1 128 ALA H 5.000 . 5.500 4.735 4.657 4.828 . 0 0 "[ . 1 . 2]" 2
398 1 127 GLU H 1 128 ALA MB 6.000 . 6.500 4.475 4.345 4.583 . 0 0 "[ . 1 . 2]" 2
399 1 127 GLU HA 1 128 ALA H 3.300 . 3.800 3.587 3.568 3.607 . 0 0 "[ . 1 . 2]" 2
400 1 127 GLU HB3 1 128 ALA H 3.300 . 3.800 3.541 3.407 3.592 . 0 0 "[ . 1 . 2]" 2
401 1 127 GLU HB2 1 128 ALA H 3.300 . 3.800 2.630 2.587 2.693 . 0 0 "[ . 1 . 2]" 2
402 1 127 GLU QG 1 128 ALA H 4.000 . 4.500 4.152 4.118 4.281 . 0 0 "[ . 1 . 2]" 2
403 1 127 GLU H 1 128 ALA H 2.700 . 3.200 2.811 2.734 2.858 . 0 0 "[ . 1 . 2]" 2
404 1 128 ALA H 1 128 ALA MB 2.700 . 3.200 2.183 2.075 2.298 . 0 0 "[ . 1 . 2]" 2
405 1 125 ILE MG 1 129 ASP H 6.000 . 6.500 3.932 3.731 4.265 . 0 0 "[ . 1 . 2]" 2
406 1 126 ARG HA 1 129 ASP H 3.300 . 3.800 3.347 3.128 3.496 . 0 0 "[ . 1 . 2]" 2
407 1 127 GLU HB2 1 129 ASP H 6.000 . 6.500 4.701 4.646 4.764 . 0 0 "[ . 1 . 2]" 2
408 1 127 GLU H 1 129 ASP H 3.300 . 3.800 3.915 3.837 3.983 0.183 18 0 "[ . 1 . 2]" 2
409 1 128 ALA MB 1 129 ASP H 3.300 . 3.800 3.167 2.888 3.357 . 0 0 "[ . 1 . 2]" 2
410 1 128 ALA H 1 129 ASP H 2.700 . 3.200 2.303 2.207 2.435 . 0 0 "[ . 1 . 2]" 2
411 1 129 ASP H 1 129 ASP HA 2.700 . 3.200 2.954 2.897 3.007 . 0 0 "[ . 1 . 2]" 2
412 1 129 ASP H 1 129 ASP HB3 2.700 . 3.200 2.489 2.372 2.633 . 0 0 "[ . 1 . 2]" 2
413 1 129 ASP H 1 129 ASP HB2 2.700 . 3.200 2.568 2.471 2.804 . 0 0 "[ . 1 . 2]" 2
414 1 129 ASP HA 1 130 ILE H 2.700 . 3.200 2.491 2.408 2.542 . 0 0 "[ . 1 . 2]" 2
415 1 129 ASP HB3 1 130 ILE H 6.000 . 6.500 4.432 4.403 4.459 . 0 0 "[ . 1 . 2]" 2
416 1 129 ASP HB2 1 130 ILE H 6.000 . 6.500 4.673 4.653 4.685 . 0 0 "[ . 1 . 2]" 2
417 1 129 ASP H 1 130 ILE H 3.300 . 3.800 3.810 3.740 3.877 0.077 19 0 "[ . 1 . 2]" 2
418 1 130 ILE H 1 130 ILE HA 2.700 . 3.200 2.879 2.864 2.887 . 0 0 "[ . 1 . 2]" 2
419 1 130 ILE H 1 130 ILE HB 2.700 . 3.200 2.411 2.373 2.426 . 0 0 "[ . 1 . 2]" 2
420 1 130 ILE H 1 130 ILE MD 3.300 . 3.800 3.342 3.271 3.427 . 0 0 "[ . 1 . 2]" 2
421 1 130 ILE H 1 130 ILE HG13 2.700 . 3.200 1.969 1.938 1.991 . 0 0 "[ . 1 . 2]" 2
422 1 130 ILE H 1 130 ILE HG12 2.700 . 3.200 3.338 3.309 3.368 0.168 8 0 "[ . 1 . 2]" 2
423 1 129 ASP QB 1 131 ASP H 6.000 . 6.500 4.991 4.838 5.146 . 0 0 "[ . 1 . 2]" 2
424 1 130 ILE HA 1 131 ASP H 3.300 . 3.800 3.574 3.547 3.594 . 0 0 "[ . 1 . 2]" 2
425 1 130 ILE HB 1 131 ASP H 5.000 . 5.500 2.528 2.382 2.596 . 0 0 "[ . 1 . 2]" 2
426 1 130 ILE HG13 1 131 ASP H 5.000 . 5.500 4.178 4.120 4.266 . 0 0 "[ . 1 . 2]" 2
427 1 130 ILE HG12 1 131 ASP H 6.000 . 6.500 4.961 4.918 4.989 . 0 0 "[ . 1 . 2]" 2
428 1 130 ILE MG 1 131 ASP H 6.000 . 6.500 3.444 3.308 3.516 . 0 0 "[ . 1 . 2]" 2
429 1 131 ASP H 1 131 ASP HB3 2.700 . 3.200 2.475 2.409 2.581 . 0 0 "[ . 1 . 2]" 2
430 1 131 ASP H 1 131 ASP HB2 2.700 . 3.200 3.513 3.504 3.521 0.321 2 0 "[ . 1 . 2]" 2
431 1 129 ASP QB 1 132 GLY H 6.000 . 6.500 3.901 3.687 4.230 . 0 0 "[ . 1 . 2]" 2
432 1 130 ILE HB 1 132 GLY H 6.000 . 6.500 4.930 4.711 5.111 . 0 0 "[ . 1 . 2]" 2
433 1 130 ILE MG 1 132 GLY H 6.000 . 6.500 4.937 4.797 5.075 . 0 0 "[ . 1 . 2]" 2
434 1 130 ILE H 1 132 GLY H 6.000 . 6.500 4.137 3.951 4.364 . 0 0 "[ . 1 . 2]" 2
435 1 131 ASP HA 1 132 GLY H 3.300 . 3.800 3.531 3.477 3.580 . 0 0 "[ . 1 . 2]" 2
436 1 131 ASP HB3 1 132 GLY H 6.000 . 6.500 4.046 3.903 4.174 . 0 0 "[ . 1 . 2]" 2
437 1 131 ASP HB2 1 132 GLY H 6.000 . 6.500 3.850 3.596 4.069 . 0 0 "[ . 1 . 2]" 2
438 1 131 ASP H 1 132 GLY H 2.700 . 3.200 2.710 2.581 2.836 . 0 0 "[ . 1 . 2]" 2
439 1 132 GLY H 1 132 GLY HA3 2.700 . 3.200 2.947 2.920 2.984 . 0 0 "[ . 1 . 2]" 2
440 1 132 GLY H 1 132 GLY HA2 2.700 . 3.200 2.393 2.365 2.450 . 0 0 "[ . 1 . 2]" 2
441 1 132 GLY HA3 1 133 ASP H 3.300 . 3.800 3.480 3.437 3.515 . 0 0 "[ . 1 . 2]" 2
442 1 132 GLY HA2 1 133 ASP H 6.000 . 6.500 3.116 3.056 3.228 . 0 0 "[ . 1 . 2]" 2
443 1 132 GLY H 1 133 ASP H 2.700 . 3.200 2.385 2.163 2.505 . 0 0 "[ . 1 . 2]" 2
444 1 133 ASP H 1 133 ASP HA 2.700 . 3.200 2.927 2.922 2.932 . 0 0 "[ . 1 . 2]" 2
445 1 133 ASP H 1 133 ASP HB3 2.700 . 3.200 2.419 2.209 2.490 . 0 0 "[ . 1 . 2]" 2
446 1 133 ASP H 1 133 ASP HB2 2.700 . 3.200 3.522 3.497 3.537 0.337 18 0 "[ . 1 . 2]" 2
447 1 129 ASP HB3 1 134 GLY H 6.000 . 6.500 4.385 3.991 4.636 . 0 0 "[ . 1 . 2]" 2
448 1 132 GLY HA3 1 134 GLY H 6.000 . 6.500 4.451 4.363 4.602 . 0 0 "[ . 1 . 2]" 2
449 1 132 GLY H 1 134 GLY H 5.000 . 5.500 3.814 3.567 3.973 . 0 0 "[ . 1 . 2]" 2
450 1 133 ASP H 1 134 GLY QA 6.000 . 6.500 4.444 4.409 4.462 . 0 0 "[ . 1 . 2]" 2
451 1 133 ASP HA 1 134 GLY H 3.300 . 3.800 3.393 3.354 3.458 . 0 0 "[ . 1 . 2]" 2
452 1 133 ASP HB3 1 134 GLY H 3.300 . 3.800 4.096 3.978 4.158 0.358 12 0 "[ . 1 . 2]" 2
453 1 133 ASP HB2 1 134 GLY H 6.000 . 6.500 4.217 4.109 4.399 . 0 0 "[ . 1 . 2]" 2
454 1 133 ASP H 1 134 GLY H 2.700 . 3.200 2.447 2.408 2.462 . 0 0 "[ . 1 . 2]" 2
455 1 134 GLY H 1 134 GLY HA3 2.700 . 3.200 2.947 2.929 2.963 . 0 0 "[ . 1 . 2]" 2
456 1 134 GLY H 1 134 GLY HA2 2.700 . 3.200 2.400 2.381 2.422 . 0 0 "[ . 1 . 2]" 2
457 1 125 ILE MG 1 135 GLN H 6.000 . 6.500 3.672 3.370 4.023 . 0 0 "[ . 1 . 2]" 2
458 1 133 ASP HA 1 135 GLN H 5.000 . 5.500 4.502 4.339 4.716 . 0 0 "[ . 1 . 2]" 2
459 1 133 ASP H 1 135 GLN H 5.000 . 5.500 3.726 3.615 3.870 . 0 0 "[ . 1 . 2]" 2
460 1 134 GLY H 1 135 GLN HA 6.000 . 6.500 5.082 4.989 5.159 . 0 0 "[ . 1 . 2]" 2
461 1 134 GLY H 1 135 GLN QG 4.000 . 4.500 4.559 4.476 4.639 0.139 7 0 "[ . 1 . 2]" 2
462 1 134 GLY HA3 1 135 GLN H 2.700 . 3.200 3.325 3.272 3.384 0.184 6 0 "[ . 1 . 2]" 2
463 1 134 GLY HA2 1 135 GLN H 3.300 . 3.800 3.296 3.244 3.338 . 0 0 "[ . 1 . 2]" 2
464 1 134 GLY H 1 135 GLN H 2.700 . 3.200 2.492 2.384 2.573 . 0 0 "[ . 1 . 2]" 2
465 1 135 GLN HB3 1 135 GLN HE21 3.300 . 3.800 2.898 2.112 3.140 . 0 0 "[ . 1 . 2]" 2
466 1 135 GLN HB2 1 135 GLN HE21 2.700 . 3.200 1.953 1.900 2.363 . 0 0 "[ . 1 . 2]" 2
467 1 135 GLN HA 1 135 GLN HE22 6.000 . 6.500 5.772 5.741 5.796 . 0 0 "[ . 1 . 2]" 2
468 1 135 GLN HB3 1 135 GLN HE22 3.300 . 3.800 3.833 3.694 3.933 0.133 9 0 "[ . 1 . 2]" 2
469 1 135 GLN HB2 1 135 GLN HE22 2.700 . 3.200 3.441 3.380 3.486 0.286 20 0 "[ . 1 . 2]" 2
470 1 135 GLN H 1 135 GLN HA 2.700 . 3.200 2.986 2.972 3.004 . 0 0 "[ . 1 . 2]" 2
471 1 135 GLN H 1 135 GLN HB3 3.300 . 3.800 3.779 3.736 3.810 0.010 15 0 "[ . 1 . 2]" 2
472 1 135 GLN H 1 135 GLN HB2 2.700 . 3.200 2.616 2.540 2.670 . 0 0 "[ . 1 . 2]" 2
473 1 99 TYR QB 1 136 VAL H 6.000 . 6.500 3.902 3.072 4.865 . 0 0 "[ . 1 . 2]" 2
474 1 100 ILE H 1 136 VAL HB 5.000 . 5.500 3.303 2.666 4.151 . 0 0 "[ . 1 . 2]" 2
475 1 100 ILE H 1 136 VAL MG2 6.000 . 6.500 4.583 4.127 5.239 . 0 0 "[ . 1 . 2]" 2
476 1 100 ILE H 1 136 VAL H 5.000 . 5.500 3.407 2.957 3.821 . 0 0 "[ . 1 . 2]" 2
477 1 125 ILE MD 1 136 VAL H 6.000 . 6.500 4.245 3.058 5.461 . 0 0 "[ . 1 . 2]" 2
478 1 125 ILE MG 1 136 VAL H 6.000 . 6.500 3.384 3.046 4.100 . 0 0 "[ . 1 . 2]" 2
479 1 126 ARG H 1 136 VAL MG2 6.000 . 6.500 5.108 4.780 5.803 . 0 0 "[ . 1 . 2]" 2
480 1 128 ALA H 1 136 VAL MG2 6.000 . 6.500 3.525 3.216 4.116 . 0 0 "[ . 1 . 2]" 2
481 1 129 ASP H 1 136 VAL MG2 6.000 . 6.500 3.557 3.122 3.962 . 0 0 "[ . 1 . 2]" 2
482 1 135 GLN H 1 136 VAL MG2 6.000 . 6.500 4.679 4.475 4.940 . 0 0 "[ . 1 . 2]" 2
483 1 135 GLN HA 1 136 VAL H 2.700 . 3.200 2.302 2.226 2.402 . 0 0 "[ . 1 . 2]" 2
484 1 135 GLN HB3 1 136 VAL H 6.000 . 6.500 3.109 2.761 3.521 . 0 0 "[ . 1 . 2]" 2
485 1 135 GLN HB2 1 136 VAL H 6.000 . 6.500 4.076 3.821 4.309 . 0 0 "[ . 1 . 2]" 2
486 1 135 GLN H 1 136 VAL H 6.000 . 6.500 4.403 4.343 4.452 . 0 0 "[ . 1 . 2]" 2
487 1 136 VAL H 1 136 VAL HB 2.700 . 3.200 2.377 2.308 2.440 . 0 0 "[ . 1 . 2]" 2
488 1 136 VAL H 1 136 VAL MG2 3.300 . 3.800 2.286 2.164 2.411 . 0 0 "[ . 1 . 2]" 2
489 1 137 ASN H 1 140 GLU QG 6.000 . 6.500 3.081 2.242 3.802 . 0 0 "[ . 1 . 2]" 2
490 1 136 VAL HA 1 137 ASN H 2.700 . 3.200 2.217 2.198 2.246 . 0 0 "[ . 1 . 2]" 2
491 1 136 VAL MG1 1 137 ASN H 3.300 . 3.800 3.035 2.709 3.235 . 0 0 "[ . 1 . 2]" 2
492 1 136 VAL MG2 1 137 ASN H 6.000 . 6.500 4.192 4.144 4.286 . 0 0 "[ . 1 . 2]" 2
493 1 136 VAL H 1 137 ASN H 6.000 . 6.500 4.422 4.337 4.497 . 0 0 "[ . 1 . 2]" 2
494 1 137 ASN HB3 1 137 ASN QD 3.300 . 3.800 2.896 2.238 3.371 . 0 0 "[ . 1 . 2]" 2
495 1 137 ASN HB2 1 137 ASN QD 3.300 . 3.800 2.438 2.221 3.061 . 0 0 "[ . 1 . 2]" 2
496 1 137 ASN HB3 1 137 ASN HD22 3.300 . 3.800 3.828 3.512 4.080 0.280 18 0 "[ . 1 . 2]" 2
497 1 137 ASN HB2 1 137 ASN HD22 3.300 . 3.800 3.606 3.505 3.901 0.101 16 0 "[ . 1 . 2]" 2
498 1 137 ASN H 1 137 ASN HB3 3.300 . 3.800 3.305 2.524 3.601 . 0 0 "[ . 1 . 2]" 2
499 1 137 ASN H 1 137 ASN HB2 2.700 . 3.200 2.684 2.304 3.566 0.366 12 0 "[ . 1 . 2]" 2
500 1 137 ASN H 1 137 ASN HD22 6.000 . 6.500 3.940 3.465 5.657 . 0 0 "[ . 1 . 2]" 2
501 1 89 PHE QE 1 138 TYR H 4.000 . 4.500 4.059 3.419 4.531 0.031 4 0 "[ . 1 . 2]" 2
502 1 137 ASN HA 1 138 TYR H 2.700 . 3.200 2.569 2.403 2.723 . 0 0 "[ . 1 . 2]" 2
503 1 137 ASN HB3 1 138 TYR H 2.700 . 3.200 2.656 2.097 3.564 0.364 2 0 "[ . 1 . 2]" 2
504 1 137 ASN HB2 1 138 TYR H 2.700 . 3.200 3.070 1.990 3.821 0.621 18 1 "[ . 1 . + 2]" 2
505 1 137 ASN QD 1 138 TYR H 6.000 . 6.500 4.759 2.386 5.118 . 0 0 "[ . 1 . 2]" 2
506 1 138 TYR H 1 138 TYR HA 2.700 . 3.200 2.870 2.848 2.898 . 0 0 "[ . 1 . 2]" 2
507 1 138 TYR H 1 138 TYR HB3 2.700 . 3.200 2.609 2.450 2.725 . 0 0 "[ . 1 . 2]" 2
508 1 138 TYR H 1 138 TYR HB2 2.700 . 3.200 2.305 2.195 2.457 . 0 0 "[ . 1 . 2]" 2
509 1 138 TYR H 1 138 TYR QD 5.000 . 5.500 4.100 4.043 4.151 . 0 0 "[ . 1 . 2]" 2
510 1 137 ASN HA 1 139 GLU H 6.000 . 6.500 4.700 4.524 4.852 . 0 0 "[ . 1 . 2]" 2
511 1 137 ASN QB 1 139 GLU H 6.000 . 6.500 3.006 2.798 3.452 . 0 0 "[ . 1 . 2]" 2
512 1 138 TYR HA 1 139 GLU H 3.300 . 3.800 3.584 3.554 3.603 . 0 0 "[ . 1 . 2]" 2
513 1 138 TYR QD 1 139 GLU H 6.000 . 6.500 3.490 3.214 3.780 . 0 0 "[ . 1 . 2]" 2
514 1 138 TYR H 1 139 GLU H 2.700 . 3.200 2.745 2.629 2.855 . 0 0 "[ . 1 . 2]" 2
515 1 139 GLU H 1 139 GLU HA 2.700 . 3.200 2.846 2.824 2.863 . 0 0 "[ . 1 . 2]" 2
516 1 139 GLU H 1 139 GLU HB2 2.700 . 3.200 2.396 2.296 3.514 0.314 5 0 "[ . 1 . 2]" 2
517 1 139 GLU H 1 139 GLU HG2 2.700 . 3.200 2.338 1.947 3.293 0.093 20 0 "[ . 1 . 2]" 2
518 1 136 VAL HB 1 137 ASN H 6.000 . 6.500 4.374 4.282 4.425 . 0 0 "[ . 1 . 2]" 2
519 1 137 ASN QB 1 140 GLU H 4.000 . 4.500 3.017 2.475 4.084 . 0 0 "[ . 1 . 2]" 2
520 1 137 ASN H 1 140 GLU H 5.000 . 5.500 3.746 3.462 4.192 . 0 0 "[ . 1 . 2]" 2
521 1 139 GLU H 1 140 GLU HA 6.000 . 6.500 5.473 5.409 5.526 . 0 0 "[ . 1 . 2]" 2
522 1 139 GLU HA 1 140 GLU H 3.300 . 3.800 3.586 3.557 3.606 . 0 0 "[ . 1 . 2]" 2
523 1 139 GLU H 1 140 GLU H 2.700 . 3.200 2.837 2.736 2.910 . 0 0 "[ . 1 . 2]" 2
524 1 140 GLU H 1 140 GLU HA 2.700 . 3.200 2.860 2.852 2.873 . 0 0 "[ . 1 . 2]" 2
525 1 140 GLU H 1 140 GLU HB3 2.700 . 3.200 3.458 2.468 3.519 0.319 5 0 "[ . 1 . 2]" 2
526 1 140 GLU H 1 140 GLU HB2 2.700 . 3.200 2.457 2.341 3.519 0.319 13 0 "[ . 1 . 2]" 2
527 1 140 GLU H 1 140 GLU HG3 2.700 . 3.200 2.035 1.941 2.883 . 0 0 "[ . 1 . 2]" 2
528 1 140 GLU H 1 140 GLU HG2 2.700 . 3.200 3.052 2.019 3.275 0.075 2 0 "[ . 1 . 2]" 2
529 1 136 VAL MG1 1 141 PHE H 6.000 . 6.500 3.113 2.885 3.498 . 0 0 "[ . 1 . 2]" 2
530 1 140 GLU HB3 1 141 PHE H 6.000 . 6.500 3.648 3.549 4.092 . 0 0 "[ . 1 . 2]" 2
531 1 140 GLU HB2 1 141 PHE H 6.000 . 6.500 2.589 2.440 3.993 . 0 0 "[ . 1 . 2]" 2
532 1 140 GLU HG3 1 141 PHE H 3.300 . 3.800 3.991 2.280 4.164 0.364 2 0 "[ . 1 . 2]" 2
533 1 140 GLU HG2 1 141 PHE H 5.000 . 5.500 4.696 3.042 4.897 . 0 0 "[ . 1 . 2]" 2
534 1 141 PHE H 1 141 PHE HA 2.700 . 3.200 2.852 2.834 2.869 . 0 0 "[ . 1 . 2]" 2
535 1 141 PHE H 1 141 PHE HB3 2.700 . 3.200 2.457 2.389 2.520 . 0 0 "[ . 1 . 2]" 2
536 1 141 PHE H 1 141 PHE HB2 2.700 . 3.200 2.407 2.318 2.450 . 0 0 "[ . 1 . 2]" 2
537 1 141 PHE H 1 141 PHE HD1 5.000 . 5.500 4.662 4.558 4.745 . 0 0 "[ . 1 . 2]" 2
538 1 89 PHE QE 1 141 PHE H 6.000 . 6.500 5.024 4.436 5.686 . 0 0 "[ . 1 . 2]" 2
539 1 100 ILE MD 1 141 PHE H 6.000 . 6.500 5.855 5.207 6.456 . 0 0 "[ . 1 . 2]" 2
540 1 141 PHE HA 1 142 VAL H 3.300 . 3.800 3.582 3.556 3.601 . 0 0 "[ . 1 . 2]" 2
541 1 141 PHE HB3 1 142 VAL H 3.300 . 3.800 2.415 2.278 2.533 . 0 0 "[ . 1 . 2]" 2
542 1 141 PHE QD 1 142 VAL H 3.300 . 3.800 3.159 2.978 3.485 . 0 0 "[ . 1 . 2]" 2
543 1 142 VAL H 1 142 VAL HA 2.700 . 3.200 2.886 2.849 2.915 . 0 0 "[ . 1 . 2]" 2
544 1 142 VAL H 1 142 VAL HB 2.700 . 3.200 2.408 2.263 3.519 0.319 11 0 "[ . 1 . 2]" 2
545 1 142 VAL H 1 142 VAL QG . . 3.800 2.092 1.759 2.304 0.041 11 0 "[ . 1 . 2]" 2
546 1 130 ILE MD 1 143 GLN HE21 6.000 . 6.500 3.640 2.573 5.802 . 0 0 "[ . 1 . 2]" 2
547 1 130 ILE MD 1 143 GLN HE22 6.000 . 6.500 3.239 1.962 6.120 . 0 0 "[ . 1 . 2]" 2
548 1 142 VAL HA 1 143 GLN H 3.300 . 3.800 3.568 3.553 3.595 . 0 0 "[ . 1 . 2]" 2
549 1 142 VAL HB 1 143 GLN H 2.700 . 3.200 2.635 2.447 3.584 0.384 11 0 "[ . 1 . 2]" 2
550 1 142 VAL QG 1 143 GLN H . . 4.500 3.124 1.880 3.249 . 0 0 "[ . 1 . 2]" 2
551 1 142 VAL H 1 143 GLN H 2.700 . 3.200 2.685 2.629 2.805 . 0 0 "[ . 1 . 2]" 2
552 1 143 GLN HE21 1 143 GLN HG3 2.700 . 3.200 2.664 2.255 3.113 . 0 0 "[ . 1 . 2]" 2
553 1 143 GLN HE22 1 143 GLN HG2 3.300 . 3.800 3.695 3.541 3.918 0.118 19 0 "[ . 1 . 2]" 2
554 1 143 GLN H 1 143 GLN HA 2.700 . 3.200 2.849 2.835 2.864 . 0 0 "[ . 1 . 2]" 2
555 1 142 VAL HA 1 144 MET H 6.000 . 6.500 4.629 4.392 4.853 . 0 0 "[ . 1 . 2]" 2
556 1 143 GLN HA 1 144 MET H 3.300 . 3.800 3.571 3.532 3.599 . 0 0 "[ . 1 . 2]" 2
557 1 143 GLN H 1 144 MET H 2.700 . 3.200 2.832 2.705 2.948 . 0 0 "[ . 1 . 2]" 2
558 1 144 MET H 1 144 MET HA 2.700 . 3.200 2.850 2.842 2.862 . 0 0 "[ . 1 . 2]" 2
559 1 144 MET H 1 144 MET HB2 2.700 . 3.200 2.278 1.970 2.435 . 0 0 "[ . 1 . 2]" 2
560 1 144 MET H 1 144 MET ME 5.000 . 5.500 4.341 3.895 4.805 . 0 0 "[ . 1 . 2]" 2
561 1 144 MET H 1 144 MET HG3 4.500 . 5.000 4.287 2.190 4.473 . 0 0 "[ . 1 . 2]" 2
562 1 143 GLN HA 1 145 MET H 6.000 . 6.500 4.408 4.313 4.564 . 0 0 "[ . 1 . 2]" 2
563 1 142 VAL HA 1 145 MET H 3.300 . 3.800 3.596 3.477 3.770 . 0 0 "[ . 1 . 2]" 2
564 1 144 MET HB3 1 145 MET H 2.700 . 3.200 2.627 2.446 3.347 0.147 3 0 "[ . 1 . 2]" 2
565 1 144 MET ME 1 145 MET H 6.000 . 6.500 3.780 3.212 4.320 . 0 0 "[ . 1 . 2]" 2
566 1 144 MET H 1 145 MET H 2.700 . 3.200 2.726 2.644 2.796 . 0 0 "[ . 1 . 2]" 2
567 1 145 MET H 1 145 MET HA 2.700 . 3.200 2.900 2.880 2.932 . 0 0 "[ . 1 . 2]" 2
568 1 145 MET H 1 145 MET HB2 2.700 . 3.200 2.304 2.260 2.409 . 0 0 "[ . 1 . 2]" 2
569 1 145 MET H 1 145 MET QG 2.700 . 3.200 2.236 2.014 2.375 . 0 0 "[ . 1 . 2]" 2
570 1 145 MET H 1 146 THR MG 6.000 . 6.500 5.057 3.714 5.911 . 0 0 "[ . 1 . 2]" 2
571 1 145 MET HA 1 146 THR H 3.300 . 3.800 3.554 3.525 3.570 . 0 0 "[ . 1 . 2]" 2
572 1 145 MET QB 1 146 THR H 3.300 . 3.800 2.542 2.507 2.623 . 0 0 "[ . 1 . 2]" 2
573 1 145 MET HA 1 147 ALA H 3.300 . 3.800 3.881 3.728 3.988 0.188 12 0 "[ . 1 . 2]" 2
574 1 146 THR H 1 147 ALA MB 6.000 . 6.500 4.106 3.874 4.315 . 0 0 "[ . 1 . 2]" 2
575 1 146 THR MG 1 147 ALA H 4.000 . 4.500 3.777 2.706 4.287 . 0 0 "[ . 1 . 2]" 2
576 1 146 THR H 1 147 ALA H 2.700 . 3.200 2.677 2.514 2.842 . 0 0 "[ . 1 . 2]" 2
577 1 147 ALA H 1 147 ALA HA 2.700 . 3.200 2.894 2.845 2.997 . 0 0 "[ . 1 . 2]" 2
578 1 147 ALA H 1 147 ALA MB 2.700 . 3.200 2.098 1.974 2.220 . 0 0 "[ . 1 . 2]" 2
579 1 145 MET QB 1 147 ALA H 6.000 . 6.500 4.441 4.344 4.531 . 0 0 "[ . 1 . 2]" 2
580 1 148 LYS H 1 148 LYS HA 2.700 . 3.200 2.938 2.358 3.006 . 0 0 "[ . 1 . 2]" 2
581 1 148 LYS H 1 148 LYS HB2 2.700 . 3.200 2.535 2.258 3.513 0.313 15 0 "[ . 1 . 2]" 2
582 1 148 LYS H 1 148 LYS HE2 6.000 . 6.500 5.439 3.914 6.225 . 0 0 "[ . 1 . 2]" 2
583 1 148 LYS H 1 148 LYS HG3 2.700 . 3.200 2.726 2.190 3.222 0.022 3 0 "[ . 1 . 2]" 2
584 1 76 MET H 1 76 MET ME 6.000 . 6.500 3.618 2.539 4.642 . 0 0 "[ . 1 . 2]" 2
585 1 76 MET H 1 78 ASP H 6.000 . 6.500 4.488 4.052 4.955 . 0 0 "[ . 1 . 2]" 2
586 1 77 LYS HB3 1 78 ASP H 6.000 . 6.500 3.357 2.199 3.959 . 0 0 "[ . 1 . 2]" 2
587 1 81 SER H 1 82 GLU QG 6.000 . 6.500 4.099 3.968 4.241 . 0 0 "[ . 1 . 2]" 2
588 1 81 SER HB2 1 82 GLU H 6.000 . 6.500 3.966 3.807 4.078 . 0 0 "[ . 1 . 2]" 2
589 1 82 GLU HA 1 83 GLU H 6.000 . 6.500 3.516 3.501 3.540 . 0 0 "[ . 1 . 2]" 2
590 1 82 GLU QB 1 83 GLU H 6.000 . 6.500 2.575 2.453 2.694 . 0 0 "[ . 1 . 2]" 2
591 1 86 ARG H 1 88 ALA H 6.000 . 6.500 4.362 4.257 4.432 . 0 0 "[ . 1 . 2]" 2
592 1 85 ILE HB 1 86 ARG H 6.000 . 6.500 2.411 2.313 2.518 . 0 0 "[ . 1 . 2]" 2
593 1 84 GLU QB 1 85 ILE H 6.000 . 6.500 2.671 2.491 3.566 . 0 0 "[ . 1 . 2]" 2
594 1 87 GLU H 1 89 PHE H 6.000 . 6.500 4.380 4.266 4.497 . 0 0 "[ . 1 . 2]" 2
595 1 95 ASP HB2 1 97 ASN HD21 6.000 . 6.500 5.349 4.962 5.597 . 0 0 "[ . 1 . 2]" 2
596 1 95 ASP HB2 1 97 ASN HD22 6.000 . 6.500 5.735 5.477 5.994 . 0 0 "[ . 1 . 2]" 2
597 1 86 ARG HA 1 87 GLU H 6.000 . 6.500 3.564 3.532 3.585 . 0 0 "[ . 1 . 2]" 2
598 1 144 MET HA 1 145 MET H 6.000 . 6.500 3.542 3.515 3.572 . 0 0 "[ . 1 . 2]" 2
599 1 144 MET HB2 1 145 MET H 6.000 . 6.500 3.650 2.414 3.903 . 0 0 "[ . 1 . 2]" 2
600 1 144 MET QG 1 145 MET H 6.000 . 6.500 4.036 3.595 4.506 . 0 0 "[ . 1 . 2]" 2
601 1 90 ARG QB 1 91 VAL H 6.000 . 6.500 2.589 2.511 2.681 . 0 0 "[ . 1 . 2]" 2
602 1 91 VAL H 1 93 ASP H 6.000 . 6.500 4.050 3.934 4.163 . 0 0 "[ . 1 . 2]" 2
603 1 94 LYS HB2 1 95 ASP H 6.000 . 6.500 2.946 2.412 3.842 . 0 0 "[ . 1 . 2]" 2
604 1 95 ASP H 1 96 GLY H 6.000 . 6.500 2.506 2.411 2.574 . 0 0 "[ . 1 . 2]" 2
605 1 93 ASP HA 1 95 ASP H 6.000 . 6.500 3.708 3.638 3.790 . 0 0 "[ . 1 . 2]" 2
606 1 97 ASN H 1 99 TYR H 6.000 . 6.500 3.829 3.413 4.035 . 0 0 "[ . 1 . 2]" 2
607 1 96 GLY HA3 1 97 ASN H 6.000 . 6.500 3.525 3.478 3.610 . 0 0 "[ . 1 . 2]" 2
608 1 97 ASN H 1 98 GLY HA2 6.000 . 6.500 5.003 4.635 5.152 . 0 0 "[ . 1 . 2]" 2
609 1 100 ILE H 1 135 GLN QB 6.000 . 6.500 4.124 2.874 5.022 . 0 0 "[ . 1 . 2]" 2
610 1 100 ILE H 1 135 GLN HA 6.000 . 6.500 5.042 4.246 5.462 . 0 0 "[ . 1 . 2]" 2
611 1 101 SER HB2 1 103 ALA H 6.000 . 6.500 3.976 3.770 4.389 . 0 0 "[ . 1 . 2]" 2
612 1 105 LEU H 1 108 VAL H 6.000 . 6.500 5.378 5.212 5.512 . 0 0 "[ . 1 . 2]" 2
613 1 121 VAL H 1 124 MET H 6.000 . 6.500 5.014 4.926 5.139 . 0 0 "[ . 1 . 2]" 2
614 1 101 SER HB2 1 104 GLU H 6.000 . 6.500 3.000 2.874 3.210 . 0 0 "[ . 1 . 2]" 2
615 1 112 LEU H 1 114 GLU H 6.000 . 6.500 3.992 3.787 4.155 . 0 0 "[ . 1 . 2]" 2
616 1 105 LEU HB3 1 106 ARG H 6.000 . 6.500 2.651 2.322 3.138 . 0 0 "[ . 1 . 2]" 2
617 1 104 GLU HA 1 107 HIS H 6.000 . 6.500 3.536 3.361 3.782 . 0 0 "[ . 1 . 2]" 2
618 1 105 LEU HA 1 109 MET H 6.000 . 6.500 4.509 4.221 4.811 . 0 0 "[ . 1 . 2]" 2
619 1 108 VAL HB 1 109 MET H 6.000 . 6.500 2.527 2.311 2.729 . 0 0 "[ . 1 . 2]" 2
620 1 107 HIS HA 1 110 THR H 6.000 . 6.500 4.161 4.051 4.375 . 0 0 "[ . 1 . 2]" 2
621 1 109 MET HA 1 110 THR H 6.000 . 6.500 3.570 3.553 3.596 . 0 0 "[ . 1 . 2]" 2
622 1 111 ASN H 1 113 GLY H 6.000 . 6.500 4.149 4.041 4.240 . 0 0 "[ . 1 . 2]" 2
623 1 84 GLU H 1 85 ILE MD 6.000 . 6.500 4.786 4.581 4.948 . 0 0 "[ . 1 . 2]" 2
624 1 109 MET HA 1 112 LEU H 6.000 . 6.500 3.533 3.339 3.736 . 0 0 "[ . 1 . 2]" 2
625 1 109 MET H 1 112 LEU H 6.000 . 6.500 4.610 4.550 4.691 . 0 0 "[ . 1 . 2]" 2
626 1 112 LEU HA 1 113 GLY H 6.000 . 6.500 3.537 3.509 3.563 . 0 0 "[ . 1 . 2]" 2
627 1 114 GLU HB2 1 115 LYS H 6.000 . 6.500 4.254 4.067 4.372 . 0 0 "[ . 1 . 2]" 2
628 1 114 GLU HA 1 115 LYS H 6.000 . 6.500 2.242 2.209 2.316 . 0 0 "[ . 1 . 2]" 2
629 1 116 LEU HA 1 117 THR H 6.000 . 6.500 2.349 2.299 2.381 . 0 0 "[ . 1 . 2]" 2
630 1 116 LEU HG 1 117 THR H 6.000 . 6.500 4.800 4.084 5.006 . 0 0 "[ . 1 . 2]" 2
631 1 118 ASP H 1 119 GLU HA 6.000 . 6.500 5.264 5.207 5.315 . 0 0 "[ . 1 . 2]" 2
632 1 120 GLU H 1 123 GLU H 6.000 . 6.500 5.017 4.916 5.139 . 0 0 "[ . 1 . 2]" 2
633 1 119 GLU QB 1 120 GLU H 6.000 . 6.500 2.608 2.503 2.705 . 0 0 "[ . 1 . 2]" 2
634 1 120 GLU HA 1 123 GLU H 6.000 . 6.500 3.769 3.608 4.013 . 0 0 "[ . 1 . 2]" 2
635 1 123 GLU QB 1 124 MET H 6.000 . 6.500 2.473 2.383 2.532 . 0 0 "[ . 1 . 2]" 2
636 1 123 GLU H 1 126 ARG H 6.000 . 6.500 4.825 4.742 4.912 . 0 0 "[ . 1 . 2]" 2
637 1 121 VAL HA 1 125 ILE H 6.000 . 6.500 4.774 4.524 5.134 . 0 0 "[ . 1 . 2]" 2
638 1 124 MET HB3 1 125 ILE H 6.000 . 6.500 3.586 3.512 3.670 . 0 0 "[ . 1 . 2]" 2
639 1 126 ARG HA 1 127 GLU H 6.000 . 6.500 3.564 3.547 3.594 . 0 0 "[ . 1 . 2]" 2
640 1 126 ARG HB2 1 127 GLU H 6.000 . 6.500 3.551 2.468 3.745 . 0 0 "[ . 1 . 2]" 2
641 1 127 GLU HA 1 129 ASP H 6.000 . 6.500 4.388 4.152 4.575 . 0 0 "[ . 1 . 2]" 2
642 1 129 ASP HA 1 131 ASP H 6.000 . 6.500 3.643 3.541 3.806 . 0 0 "[ . 1 . 2]" 2
643 1 129 ASP HB2 1 134 GLY H 6.000 . 6.500 4.194 3.896 4.690 . 0 0 "[ . 1 . 2]" 2
644 1 132 GLY HA2 1 134 GLY H 6.000 . 6.500 3.320 3.208 3.500 . 0 0 "[ . 1 . 2]" 2
645 1 138 TYR QB 1 139 GLU H 6.000 . 6.500 2.392 2.246 2.532 . 0 0 "[ . 1 . 2]" 2
646 1 139 GLU QB 1 140 GLU H 6.000 . 6.500 2.443 2.281 3.367 . 0 0 "[ . 1 . 2]" 2
647 1 139 GLU HA 1 142 VAL H 6.000 . 6.500 3.769 3.577 4.002 . 0 0 "[ . 1 . 2]" 2
648 1 138 TYR HA 1 142 VAL H 6.000 . 6.500 4.420 4.278 4.669 . 0 0 "[ . 1 . 2]" 2
649 1 141 PHE HB2 1 142 VAL H 6.000 . 6.500 3.790 3.685 3.856 . 0 0 "[ . 1 . 2]" 2
650 1 138 TYR HA 1 141 PHE H 6.000 . 6.500 3.680 3.578 3.797 . 0 0 "[ . 1 . 2]" 2
651 1 140 GLU HA 1 143 GLN H 6.000 . 6.500 3.615 3.194 3.846 . 0 0 "[ . 1 . 2]" 2
652 1 139 GLU HA 1 143 GLN H 6.000 . 6.500 4.453 4.278 5.024 . 0 0 "[ . 1 . 2]" 2
653 1 141 PHE HA 1 144 MET H 6.000 . 6.500 4.078 3.730 4.599 . 0 0 "[ . 1 . 2]" 2
654 1 146 THR HA 1 147 ALA H 6.000 . 6.500 3.265 2.980 3.521 . 0 0 "[ . 1 . 2]" 2
655 1 147 ALA HA 1 148 LYS H 6.000 . 6.500 2.763 2.187 3.589 . 0 0 "[ . 1 . 2]" 2
656 1 99 TYR HB3 1 135 GLN HE21 6.000 . 6.500 4.409 2.412 5.900 . 0 0 "[ . 1 . 2]" 2
657 1 137 ASN HD22 1 138 TYR H 6.000 . 6.500 5.689 2.790 6.171 . 0 0 "[ . 1 . 2]" 2
658 1 76 MET QB 1 77 LYS H 6.000 . 6.500 2.740 2.290 3.645 . 0 0 "[ . 1 . 2]" 2
659 1 77 LYS H 1 77 LYS QB 3.300 . 3.800 2.333 2.098 2.460 . 0 0 "[ . 1 . 2]" 2
660 1 77 LYS H 1 77 LYS QG 3.300 . 3.800 2.437 1.883 3.908 0.108 13 0 "[ . 1 . 2]" 2
661 1 89 PHE H 1 92 PHE QD 6.000 . 6.500 4.893 4.758 5.058 . 0 0 "[ . 1 . 2]" 2
662 1 86 ARG HA 1 89 PHE H 6.000 . 6.500 3.996 3.813 4.213 . 0 0 "[ . 1 . 2]" 2
663 1 88 ALA HA 1 92 PHE H 6.000 . 6.500 4.367 4.191 4.623 . 0 0 "[ . 1 . 2]" 2
664 1 141 PHE H 1 141 PHE HD2 6.000 . 6.500 4.633 4.522 4.747 . 0 0 "[ . 1 . 2]" 2
665 1 141 PHE H 1 142 VAL HA 6.000 . 6.500 5.484 5.410 5.530 . 0 0 "[ . 1 . 2]" 2
666 1 139 GLU HG2 1 141 PHE H 6.000 . 6.500 5.978 4.429 6.502 0.002 20 0 "[ . 1 . 2]" 2
667 1 89 PHE QE 1 99 TYR H 6.000 . 6.500 5.054 4.684 5.817 . 0 0 "[ . 1 . 2]" 2
668 1 99 TYR H 1 99 TYR HD2 6.000 . 6.500 4.689 4.087 5.212 . 0 0 "[ . 1 . 2]" 2
669 1 97 ASN HB3 1 99 TYR H 6.000 . 6.500 4.514 4.354 4.702 . 0 0 "[ . 1 . 2]" 2
670 1 93 ASP HB3 1 99 TYR H 6.000 . 6.500 6.416 6.092 6.577 0.077 9 0 "[ . 1 . 2]" 2
671 1 86 ARG QG 1 88 ALA H 6.000 . 6.500 5.582 4.182 5.817 . 0 0 "[ . 1 . 2]" 2
672 1 126 ARG H 1 128 ALA H 6.000 . 6.500 4.430 4.285 4.553 . 0 0 "[ . 1 . 2]" 2
673 1 111 ASN HB3 1 112 LEU H 6.000 . 6.500 3.353 2.590 3.776 . 0 0 "[ . 1 . 2]" 2
674 1 118 ASP H 1 121 VAL MG2 6.000 . 6.500 4.645 4.495 4.792 . 0 0 "[ . 1 . 2]" 2
675 1 139 GLU H 1 141 PHE H 6.000 . 6.500 4.125 3.964 4.198 . 0 0 "[ . 1 . 2]" 2
676 1 137 ASN HD21 1 140 GLU HG3 6.000 . 6.500 3.364 2.362 5.772 . 0 0 "[ . 1 . 2]" 2
677 1 137 ASN HD21 1 139 GLU HG2 6.000 . 6.500 6.285 4.055 6.580 0.080 12 0 "[ . 1 . 2]" 2
678 1 97 ASN HB2 1 99 TYR H 6.000 . 6.500 3.817 3.541 4.113 . 0 0 "[ . 1 . 2]" 2
679 1 90 ARG HG2 1 92 PHE H 6.000 . 6.500 5.858 5.695 6.037 . 0 0 "[ . 1 . 2]" 2
680 1 89 PHE HD2 1 141 PHE H 6.000 . 6.500 5.613 5.106 5.983 . 0 0 "[ . 1 . 2]" 2
681 1 120 GLU HA 1 122 ASP H 6.000 . 6.500 4.472 4.361 4.557 . 0 0 "[ . 1 . 2]" 2
682 1 88 ALA HA 1 90 ARG H 5.000 . 5.500 4.560 4.409 4.688 . 0 0 "[ . 1 . 2]" 2
683 1 94 LYS H 1 94 LYS QE 6.000 . 6.500 4.838 2.987 5.981 . 0 0 "[ . 1 . 2]" 2
684 1 108 VAL HA 1 110 THR H 6.000 . 6.500 4.582 4.425 4.746 . 0 0 "[ . 1 . 2]" 2
685 1 143 GLN HA 1 147 ALA H 6.000 . 6.500 4.671 4.136 5.062 . 0 0 "[ . 1 . 2]" 2
686 1 122 ASP H 1 124 MET HB2 6.000 . 6.500 5.062 4.963 5.231 . 0 0 "[ . 1 . 2]" 2
687 1 117 THR H 1 120 GLU QG 6.000 . 6.500 3.610 3.046 4.302 . 0 0 "[ . 1 . 2]" 2
688 1 131 ASP H 1 140 GLU QB 6.000 . 6.500 4.763 3.935 5.560 . 0 0 "[ . 1 . 2]" 2
689 1 135 GLN QG 1 136 VAL H 6.000 . 6.500 4.103 3.985 4.314 . 0 0 "[ . 1 . 2]" 2
690 1 89 PHE HA 1 90 ARG H 6.000 . 6.500 3.536 3.509 3.559 . 0 0 "[ . 1 . 2]" 2
691 1 76 MET HA 1 78 ASP H 6.000 . 6.500 4.683 4.455 5.170 . 0 0 "[ . 1 . 2]" 2
692 1 75 LYS HA 1 78 ASP H 6.000 . 6.500 3.709 3.265 4.162 . 0 0 "[ . 1 . 2]" 2
693 1 80 ASP H 1 83 GLU QG 6.000 . 6.500 3.831 3.396 4.505 . 0 0 "[ . 1 . 2]" 2
694 1 81 SER H 1 82 GLU QB 6.000 . 6.500 4.532 4.439 4.621 . 0 0 "[ . 1 . 2]" 2
695 1 77 LYS H 1 78 ASP H 6.000 . 6.500 2.739 2.579 2.975 . 0 0 "[ . 1 . 2]" 2
696 1 83 GLU HA 1 84 GLU H 6.000 . 6.500 3.557 3.540 3.604 . 0 0 "[ . 1 . 2]" 2
697 1 83 GLU QB 1 84 GLU H 6.000 . 6.500 2.519 2.479 2.562 . 0 0 "[ . 1 . 2]" 2
698 1 82 GLU HA 1 85 ILE H 6.000 . 6.500 3.655 3.390 3.816 . 0 0 "[ . 1 . 2]" 2
699 1 84 GLU HA 1 85 ILE H 6.000 . 6.500 3.536 3.492 3.561 . 0 0 "[ . 1 . 2]" 2
700 1 84 GLU QG 1 86 ARG H 6.000 . 6.500 5.732 4.482 6.046 . 0 0 "[ . 1 . 2]" 2
701 1 85 ILE HA 1 86 ARG H 6.000 . 6.500 3.576 3.559 3.598 . 0 0 "[ . 1 . 2]" 2
702 1 85 ILE QG 1 86 ARG H 6.000 . 6.500 4.005 3.935 4.115 . 0 0 "[ . 1 . 2]" 2
703 1 87 GLU HA 1 88 ALA H 6.000 . 6.500 3.554 3.525 3.571 . 0 0 "[ . 1 . 2]" 2
704 1 87 GLU HG3 1 88 ALA H 6.000 . 6.500 4.357 4.234 4.641 . 0 0 "[ . 1 . 2]" 2
705 1 89 PHE HA 1 91 VAL H 6.000 . 6.500 4.331 4.197 4.467 . 0 0 "[ . 1 . 2]" 2
706 1 89 PHE HA 1 93 ASP H 6.000 . 6.500 3.949 3.662 4.338 . 0 0 "[ . 1 . 2]" 2
707 1 90 ARG QG 1 91 VAL H 6.000 . 6.500 3.690 3.572 3.882 . 0 0 "[ . 1 . 2]" 2
708 1 93 ASP QB 1 96 GLY H 6.000 . 6.500 3.468 3.183 3.757 . 0 0 "[ . 1 . 2]" 2
709 1 89 PHE QE 1 100 ILE H 6.000 . 6.500 4.330 3.540 5.070 . 0 0 "[ . 1 . 2]" 2
710 1 91 VAL MG1 1 93 ASP H 6.000 . 6.500 5.052 4.936 5.455 . 0 0 "[ . 1 . 2]" 2
711 1 93 ASP H 1 100 ILE MG 6.000 . 6.500 4.685 4.277 5.091 . 0 0 "[ . 1 . 2]" 2
712 1 93 ASP HA 1 101 SER H 6.000 . 6.500 4.992 4.606 6.200 . 0 0 "[ . 1 . 2]" 2
713 1 100 ILE QG 1 101 SER H 6.000 . 6.500 4.265 3.974 4.361 . 0 0 "[ . 1 . 2]" 2
714 1 101 SER H 1 104 GLU QB 6.000 . 6.500 2.465 2.162 2.739 . 0 0 "[ . 1 . 2]" 2
715 1 101 SER H 1 105 LEU QB 6.000 . 6.500 5.469 3.920 5.729 . 0 0 "[ . 1 . 2]" 2
716 1 103 ALA H 1 105 LEU QB 6.000 . 6.500 4.919 4.656 5.073 . 0 0 "[ . 1 . 2]" 2
717 1 101 SER HG 1 104 GLU H 6.000 . 6.500 5.051 4.638 5.253 . 0 0 "[ . 1 . 2]" 2
718 1 102 ALA HA 1 105 LEU H 6.000 . 6.500 3.498 3.179 3.684 . 0 0 "[ . 1 . 2]" 2
719 1 104 GLU H 1 104 GLU HB3 3.300 . 3.800 3.536 3.527 3.555 . 0 0 "[ . 1 . 2]" 2
720 1 104 GLU HB3 1 105 LEU H 3.300 . 3.800 3.599 3.518 3.867 0.067 4 0 "[ . 1 . 2]" 2
721 1 106 ARG QB 1 107 HIS H 6.000 . 6.500 2.656 2.537 2.792 . 0 0 "[ . 1 . 2]" 2
722 1 106 ARG QG 1 107 HIS H 6.000 . 6.500 3.849 3.570 4.195 . 0 0 "[ . 1 . 2]" 2
723 1 109 MET H 1 112 LEU QB 6.000 . 6.500 4.681 4.442 4.898 . 0 0 "[ . 1 . 2]" 2
724 1 109 MET HA 1 114 GLU H 6.000 . 6.500 4.396 4.094 4.659 . 0 0 "[ . 1 . 2]" 2
725 1 116 LEU H 1 121 VAL MG2 6.000 . 6.500 5.076 4.618 5.463 . 0 0 "[ . 1 . 2]" 2
726 1 121 VAL MG1 1 122 ASP H 6.000 . 6.500 3.389 3.275 3.500 . 0 0 "[ . 1 . 2]" 2
727 1 123 GLU H 1 126 ARG QB 6.000 . 6.500 4.757 4.585 5.117 . 0 0 "[ . 1 . 2]" 2
728 1 124 MET H 1 125 ILE H 6.000 . 6.500 2.786 2.763 2.822 . 0 0 "[ . 1 . 2]" 2
729 1 122 ASP HA 1 125 ILE H 6.000 . 6.500 3.563 3.465 3.707 . 0 0 "[ . 1 . 2]" 2
730 1 125 ILE H 1 136 VAL MG2 6.000 . 6.500 4.743 4.338 5.421 . 0 0 "[ . 1 . 2]" 2
731 1 124 MET HA 1 126 ARG H 6.000 . 6.500 4.378 4.272 4.460 . 0 0 "[ . 1 . 2]" 2
732 1 124 MET QB 1 127 GLU H 6.000 . 6.500 5.027 4.927 5.165 . 0 0 "[ . 1 . 2]" 2
733 1 128 ALA H 1 129 ASP QB 6.000 . 6.500 3.895 3.819 3.954 . 0 0 "[ . 1 . 2]" 2
734 1 130 ILE H 1 140 GLU QG 6.000 . 6.500 3.864 2.878 4.656 . 0 0 "[ . 1 . 2]" 2
735 1 131 ASP H 1 132 GLY QA 6.000 . 6.500 4.596 4.522 4.671 . 0 0 "[ . 1 . 2]" 2
736 1 125 ILE MG 1 134 GLY H 6.000 . 6.500 3.991 3.706 4.327 . 0 0 "[ . 1 . 2]" 2
737 1 142 VAL H 1 143 GLN QB 6.000 . 6.500 4.369 4.288 4.531 . 0 0 "[ . 1 . 2]" 2
738 1 144 MET H 1 145 MET QB 6.000 . 6.500 4.605 4.489 4.717 . 0 0 "[ . 1 . 2]" 2
739 1 144 MET HA 1 146 THR H 6.000 . 6.500 4.544 4.433 4.794 . 0 0 "[ . 1 . 2]" 2
740 1 144 MET HA 1 147 ALA H 6.000 . 6.500 3.707 3.412 4.093 . 0 0 "[ . 1 . 2]" 2
741 1 115 LYS QB 1 116 LEU H 6.000 . 6.500 3.425 3.063 3.633 . 0 0 "[ . 1 . 2]" 2
742 1 100 ILE MD 1 101 SER H 6.000 . 6.500 5.185 3.797 5.328 . 0 0 "[ . 1 . 2]" 2
743 1 102 ALA H 1 103 ALA MB 6.000 . 6.500 4.166 4.011 4.486 . 0 0 "[ . 1 . 2]" 2
744 1 103 ALA H 1 121 VAL MG1 6.000 . 6.500 4.626 4.202 5.266 . 0 0 "[ . 1 . 2]" 2
745 1 103 ALA H 1 125 ILE MD 6.000 . 6.500 5.477 5.082 5.675 . 0 0 "[ . 1 . 2]" 2
746 1 103 ALA MB 1 105 LEU H 6.000 . 6.500 4.537 4.395 4.648 . 0 0 "[ . 1 . 2]" 2
747 1 128 ALA MB 1 145 MET H 6.000 . 6.500 5.632 4.626 6.539 0.039 3 0 "[ . 1 . 2]" 2
748 1 85 ILE MG 1 142 VAL H 6.000 . 6.500 4.715 4.159 5.373 . 0 0 "[ . 1 . 2]" 2
749 1 85 ILE MD 1 145 MET H 6.000 . 6.500 5.658 5.243 5.964 . 0 0 "[ . 1 . 2]" 2
750 1 85 ILE MD 1 146 THR H 6.000 . 6.500 5.224 4.732 5.800 . 0 0 "[ . 1 . 2]" 2
751 1 89 PHE H 1 141 PHE HZ 6.000 . 6.500 3.880 3.074 4.495 . 0 0 "[ . 1 . 2]" 2
752 1 99 TYR QD 1 138 TYR H 6.000 . 6.500 5.284 4.087 6.360 . 0 0 "[ . 1 . 2]" 2
753 1 94 LYS H 1 104 GLU QB 6.000 . 6.500 3.670 3.078 4.272 . 0 0 "[ . 1 . 2]" 2
754 1 100 ILE MG 1 105 LEU H 6.000 . 6.500 3.288 2.882 3.773 . 0 0 "[ . 1 . 2]" 2
755 1 112 LEU MD1 1 114 GLU H 6.000 . 6.500 4.940 4.562 5.394 . 0 0 "[ . 1 . 2]" 2
756 1 75 LYS HA 1 75 LYS HD3 3.300 . 3.800 2.829 1.955 4.092 0.292 10 0 "[ . 1 . 2]" 2
757 1 75 LYS HA 1 75 LYS HD2 5.000 . 5.500 3.015 2.014 4.592 . 0 0 "[ . 1 . 2]" 2
758 1 75 LYS HA 1 75 LYS QG 2.700 . 3.200 2.609 2.193 2.943 . 0 0 "[ . 1 . 2]" 2
759 1 75 LYS HB3 1 75 LYS HG3 2.700 . 3.200 2.627 2.466 3.026 . 0 0 "[ . 1 . 2]" 2
760 1 75 LYS HB2 1 75 LYS HG3 2.700 . 3.200 2.660 2.361 3.033 . 0 0 "[ . 1 . 2]" 2
761 1 75 LYS QE 1 75 LYS HG3 3.300 . 3.800 2.496 2.249 3.320 . 0 0 "[ . 1 . 2]" 2
762 1 76 MET HA 1 76 MET HB3 2.700 . 3.200 2.527 2.465 2.596 . 0 0 "[ . 1 . 2]" 2
763 1 76 MET HA 1 76 MET HG2 3.300 . 3.800 2.810 2.151 3.797 . 0 0 "[ . 1 . 2]" 2
764 1 77 LYS HA 1 77 LYS HB3 2.700 . 3.200 2.618 2.456 3.037 . 0 0 "[ . 1 . 2]" 2
765 1 77 LYS HA 1 77 LYS HG2 2.700 . 3.200 3.197 2.302 3.624 0.424 6 0 "[ . 1 . 2]" 2
766 1 77 LYS HB3 1 77 LYS HG2 2.700 . 3.200 2.672 2.450 3.023 . 0 0 "[ . 1 . 2]" 2
767 1 77 LYS HE3 1 77 LYS HG2 2.700 . 3.200 2.817 2.234 3.208 0.008 19 0 "[ . 1 . 2]" 2
768 1 78 ASP HA 1 78 ASP HB3 2.700 . 3.200 2.824 2.450 3.035 . 0 0 "[ . 1 . 2]" 2
769 1 79 THR MG 1 80 ASP HA 6.000 . 6.500 3.951 3.424 4.314 . 0 0 "[ . 1 . 2]" 2
770 1 79 THR HA 1 79 THR HB 2.700 . 3.200 2.802 2.476 3.045 . 0 0 "[ . 1 . 2]" 2
771 1 79 THR HA 1 79 THR MG 2.700 . 3.200 2.647 2.074 3.216 0.016 2 0 "[ . 1 . 2]" 2
772 1 80 ASP HA 1 80 ASP HB2 2.700 . 3.200 3.032 3.028 3.038 . 0 0 "[ . 1 . 2]" 2
773 1 81 SER HA 1 81 SER HB3 2.700 . 3.200 2.943 2.564 3.038 . 0 0 "[ . 1 . 2]" 2
774 1 81 SER HA 1 81 SER HB2 2.700 . 3.200 2.469 2.371 2.550 . 0 0 "[ . 1 . 2]" 2
775 1 80 ASP HB2 1 82 GLU HB2 3.300 . 3.800 3.674 3.329 3.882 0.082 15 0 "[ . 1 . 2]" 2
776 1 82 GLU HA 1 82 GLU QG 2.700 . 3.200 2.368 2.298 2.808 . 0 0 "[ . 1 . 2]" 2
777 1 83 GLU HA 1 83 GLU HB3 2.700 . 3.200 2.547 2.523 2.553 . 0 0 "[ . 1 . 2]" 2
778 1 83 GLU HA 1 83 GLU QG 2.700 . 3.200 2.313 2.287 2.367 . 0 0 "[ . 1 . 2]" 2
779 1 81 SER QB 1 84 GLU QB 6.000 . 6.500 4.380 3.669 5.413 . 0 0 "[ . 1 . 2]" 2
780 1 84 GLU HA 1 84 GLU HB3 2.700 . 3.200 2.535 2.451 2.551 . 0 0 "[ . 1 . 2]" 2
781 1 84 GLU HA 1 84 GLU QG 2.700 . 3.200 2.417 2.303 3.316 0.116 1 0 "[ . 1 . 2]" 2
782 1 82 GLU HA 1 85 ILE HB 3.300 . 3.800 3.007 2.775 3.269 . 0 0 "[ . 1 . 2]" 2
783 1 82 GLU HA 1 85 ILE MD 3.300 . 3.800 2.211 1.956 2.581 . 0 0 "[ . 1 . 2]" 2
784 1 82 GLU HB3 1 85 ILE MD 6.000 . 6.500 4.359 3.814 4.845 . 0 0 "[ . 1 . 2]" 2
785 1 85 ILE HB 1 85 ILE MD 3.300 . 3.800 2.213 2.103 2.345 . 0 0 "[ . 1 . 2]" 2
786 1 85 ILE HA 1 85 ILE HG13 3.300 . 3.800 2.821 2.677 2.922 . 0 0 "[ . 1 . 2]" 2
787 1 85 ILE HA 1 85 ILE HG12 3.300 . 3.800 2.591 2.535 2.656 . 0 0 "[ . 1 . 2]" 2
788 1 85 ILE HA 1 85 ILE MG 2.700 . 3.200 2.430 2.309 2.487 . 0 0 "[ . 1 . 2]" 2
789 1 85 ILE HG13 1 85 ILE MG 3.300 . 3.800 3.177 3.156 3.188 . 0 0 "[ . 1 . 2]" 2
790 1 85 ILE HG12 1 85 ILE MG 2.700 . 3.200 2.191 2.088 2.293 . 0 0 "[ . 1 . 2]" 2
791 1 83 GLU HG2 1 86 ARG QD 4.000 . 4.500 3.863 2.966 4.218 . 0 0 "[ . 1 . 2]" 2
792 1 83 GLU HA 1 86 ARG HG3 3.300 . 3.800 3.743 3.408 3.906 0.106 15 0 "[ . 1 . 2]" 2
793 1 85 ILE MG 1 86 ARG HA 6.000 . 6.500 3.547 3.370 3.664 . 0 0 "[ . 1 . 2]" 2
794 1 86 ARG HA 1 86 ARG HB3 2.700 . 3.200 2.538 2.513 2.552 . 0 0 "[ . 1 . 2]" 2
795 1 86 ARG HA 1 86 ARG HB2 2.700 . 3.200 2.967 2.411 3.033 . 0 0 "[ . 1 . 2]" 2
796 1 86 ARG HB2 1 86 ARG QD 3.300 . 3.800 2.437 2.283 2.948 . 0 0 "[ . 1 . 2]" 2
797 1 86 ARG HA 1 86 ARG HG3 3.300 . 3.800 3.007 2.861 3.728 . 0 0 "[ . 1 . 2]" 2
798 1 86 ARG HA 1 86 ARG HG2 3.300 . 3.800 2.544 2.370 3.762 . 0 0 "[ . 1 . 2]" 2
799 1 86 ARG HB3 1 86 ARG HG2 2.700 . 3.200 2.469 2.434 2.496 . 0 0 "[ . 1 . 2]" 2
800 1 87 GLU HA 1 87 GLU HB2 2.700 . 3.200 3.028 3.004 3.034 . 0 0 "[ . 1 . 2]" 2
801 1 87 GLU HA 1 87 GLU HG3 2.700 . 3.200 2.893 2.776 3.009 . 0 0 "[ . 1 . 2]" 2
802 1 87 GLU HB2 1 87 GLU HG3 2.700 . 3.200 2.486 2.363 2.539 . 0 0 "[ . 1 . 2]" 2
803 1 87 GLU HA 1 87 GLU HG2 2.700 . 3.200 2.433 2.143 2.541 . 0 0 "[ . 1 . 2]" 2
804 1 87 GLU HB2 1 87 GLU HG2 2.700 . 3.200 3.035 3.018 3.039 . 0 0 "[ . 1 . 2]" 2
805 1 85 ILE HA 1 88 ALA MB 3.300 . 3.800 2.741 2.459 2.974 . 0 0 "[ . 1 . 2]" 2
806 1 85 ILE MG 1 89 PHE QB 6.000 . 6.500 3.363 3.197 3.611 . 0 0 "[ . 1 . 2]" 2
807 1 88 ALA HA 1 89 PHE HA 6.000 . 6.500 4.863 4.792 4.896 . 0 0 "[ . 1 . 2]" 2
808 1 89 PHE HA 1 89 PHE HB3 2.700 . 3.200 3.037 3.031 3.042 . 0 0 "[ . 1 . 2]" 2
809 1 89 PHE HA 1 89 PHE HD1 3.300 . 3.800 3.905 3.819 3.988 0.188 13 0 "[ . 1 . 2]" 2
810 1 87 GLU HA 1 90 ARG HB3 6.000 . 6.500 2.861 2.654 3.095 . 0 0 "[ . 1 . 2]" 2
811 1 106 ARG QD 1 118 ASP HA 6.000 . 6.500 3.877 2.739 4.453 . 0 0 "[ . 1 . 2]" 2
812 1 87 GLU HA 1 90 ARG HG3 6.000 . 6.500 5.482 5.200 5.741 . 0 0 "[ . 1 . 2]" 2
813 1 89 PHE HD1 1 90 ARG HA 6.000 . 6.500 2.925 2.760 3.138 . 0 0 "[ . 1 . 2]" 2
814 1 90 ARG HA 1 90 ARG HD2 4.500 . 5.000 4.438 4.306 4.642 . 0 0 "[ . 1 . 2]" 2
815 1 90 ARG HB3 1 90 ARG HD2 2.700 . 3.200 2.806 2.397 3.147 . 0 0 "[ . 1 . 2]" 2
816 1 90 ARG HA 1 90 ARG HG3 2.700 . 3.200 2.489 2.432 2.544 . 0 0 "[ . 1 . 2]" 2
817 1 90 ARG HD3 1 90 ARG HG3 2.700 . 3.200 2.841 2.523 3.043 . 0 0 "[ . 1 . 2]" 2
818 1 90 ARG HA 1 90 ARG HG2 2.700 . 3.200 3.047 2.976 3.106 . 0 0 "[ . 1 . 2]" 2
819 1 90 ARG HB3 1 90 ARG HG2 2.700 . 3.200 2.464 2.445 2.479 . 0 0 "[ . 1 . 2]" 2
820 1 90 ARG HD2 1 90 ARG HG2 2.700 . 3.200 2.851 2.539 3.045 . 0 0 "[ . 1 . 2]" 2
821 1 88 ALA HA 1 91 VAL HB 6.000 . 6.500 3.161 2.741 5.136 . 0 0 "[ . 1 . 2]" 2
822 1 88 ALA HA 1 91 VAL MG2 3.300 . 3.800 2.817 2.142 3.235 . 0 0 "[ . 1 . 2]" 2
823 1 91 VAL HA 1 91 VAL MG1 3.300 . 3.800 2.395 2.218 2.488 . 0 0 "[ . 1 . 2]" 2
824 1 91 VAL HA 1 91 VAL MG2 2.700 . 3.200 2.442 2.166 3.225 0.025 3 0 "[ . 1 . 2]" 2
825 1 91 VAL MG1 1 91 VAL MG2 2.700 . 3.200 2.045 1.986 2.078 . 0 0 "[ . 1 . 2]" 2
826 1 88 ALA MB 1 92 PHE QD 6.000 . 6.500 3.545 3.342 3.816 . 0 0 "[ . 1 . 2]" 2
827 1 89 PHE HA 1 92 PHE HB2 2.700 . 3.200 2.962 2.830 3.142 . 0 0 "[ . 1 . 2]" 2
828 1 89 PHE HA 1 92 PHE QD 3.300 . 3.800 3.738 3.507 3.867 0.067 3 0 "[ . 1 . 2]" 2
829 1 91 VAL MG1 1 92 PHE QD 6.000 . 6.500 3.765 3.474 4.822 . 0 0 "[ . 1 . 2]" 2
830 1 92 PHE HA 1 92 PHE QD 3.300 . 3.800 2.816 2.669 2.956 . 0 0 "[ . 1 . 2]" 2
831 1 90 ARG HA 1 93 ASP HB3 6.000 . 6.500 3.031 2.648 3.328 . 0 0 "[ . 1 . 2]" 2
832 1 90 ARG HA 1 93 ASP HB2 6.000 . 6.500 3.849 3.444 4.195 . 0 0 "[ . 1 . 2]" 2
833 1 93 ASP HA 1 93 ASP HB3 2.700 . 3.200 3.006 2.979 3.023 . 0 0 "[ . 1 . 2]" 2
834 1 93 ASP HA 1 93 ASP HB2 2.700 . 3.200 2.641 2.595 2.700 . 0 0 "[ . 1 . 2]" 2
835 1 94 LYS HA 1 94 LYS QD 4.000 . 4.500 3.974 3.951 4.145 . 0 0 "[ . 1 . 2]" 2
836 1 94 LYS HA 1 94 LYS QG 2.700 . 3.200 2.332 2.291 2.401 . 0 0 "[ . 1 . 2]" 2
837 1 94 LYS HB2 1 94 LYS HG3 2.700 . 3.200 2.471 2.464 2.489 . 0 0 "[ . 1 . 2]" 2
838 1 94 LYS QE 1 94 LYS QG 3.300 . 3.800 2.200 2.122 2.404 . 0 0 "[ . 1 . 2]" 2
839 1 94 LYS HB3 1 95 ASP HA 6.000 . 6.500 4.406 4.284 4.500 . 0 0 "[ . 1 . 2]" 2
840 1 95 ASP HA 1 95 ASP HB3 2.700 . 3.200 2.457 2.438 2.466 . 0 0 "[ . 1 . 2]" 2
841 1 95 ASP HA 1 95 ASP HB2 2.700 . 3.200 2.478 2.468 2.495 . 0 0 "[ . 1 . 2]" 2
842 1 95 ASP HA 1 96 GLY HA3 6.000 . 6.500 4.641 4.600 4.680 . 0 0 "[ . 1 . 2]" 2
843 1 97 ASN HA 1 97 ASN HB3 2.700 . 3.200 2.457 2.435 2.475 . 0 0 "[ . 1 . 2]" 2
844 1 97 ASN HA 1 97 ASN HB2 2.700 . 3.200 2.479 2.463 2.498 . 0 0 "[ . 1 . 2]" 2
845 1 89 PHE QE 1 99 TYR HA 6.000 . 6.500 3.852 2.999 4.959 . 0 0 "[ . 1 . 2]" 2
846 1 89 PHE HE1 1 98 GLY HA3 6.000 . 6.500 5.321 4.860 5.759 . 0 0 "[ . 1 . 2]" 2
847 1 89 PHE HE1 1 98 GLY HA2 6.000 . 6.500 3.624 3.099 4.060 . 0 0 "[ . 1 . 2]" 2
848 1 99 TYR HA 1 99 TYR HB3 2.700 . 3.200 2.470 2.401 2.572 . 0 0 "[ . 1 . 2]" 2
849 1 99 TYR HA 1 99 TYR HD1 3.300 . 3.800 3.921 3.678 4.030 0.230 20 0 "[ . 1 . 2]" 2
850 1 99 TYR HB3 1 99 TYR HD1 3.300 . 3.800 3.075 2.402 3.745 . 0 0 "[ . 1 . 2]" 2
851 1 99 TYR HB2 1 99 TYR HD2 3.300 . 3.800 3.037 2.393 3.686 . 0 0 "[ . 1 . 2]" 2
852 1 89 PHE HA 1 100 ILE MD 6.000 . 6.500 3.399 2.704 4.169 . 0 0 "[ . 1 . 2]" 2
853 1 100 ILE MD 1 141 PHE QE 6.000 . 6.500 3.360 2.523 4.046 . 0 0 "[ . 1 . 2]" 2
854 1 92 PHE HB3 1 100 ILE MD 3.300 . 3.800 2.732 1.998 3.721 . 0 0 "[ . 1 . 2]" 2
855 1 92 PHE HB2 1 100 ILE MD 3.300 . 3.800 3.051 2.388 3.767 . 0 0 "[ . 1 . 2]" 2
856 1 92 PHE QD 1 100 ILE MD 6.000 . 6.500 3.681 2.921 4.579 . 0 0 "[ . 1 . 2]" 2
857 1 99 TYR QB 1 100 ILE HG12 6.000 . 6.500 5.890 5.260 6.128 . 0 0 "[ . 1 . 2]" 2
858 1 92 PHE HB3 1 100 ILE MG 3.300 . 3.800 2.550 2.170 2.988 . 0 0 "[ . 1 . 2]" 2
859 1 92 PHE HB2 1 100 ILE MG 6.000 . 6.500 3.903 3.487 4.527 . 0 0 "[ . 1 . 2]" 2
860 1 100 ILE HB 1 100 ILE MD 3.300 . 3.800 2.279 2.127 2.378 . 0 0 "[ . 1 . 2]" 2
861 1 100 ILE HA 1 100 ILE HG13 2.700 . 3.200 2.977 2.796 3.174 . 0 0 "[ . 1 . 2]" 2
862 1 100 ILE HA 1 100 ILE HG12 3.300 . 3.800 2.688 2.592 2.874 . 0 0 "[ . 1 . 2]" 2
863 1 100 ILE HA 1 100 ILE MG 3.300 . 3.800 2.296 2.191 2.425 . 0 0 "[ . 1 . 2]" 2
864 1 100 ILE MD 1 100 ILE MG 3.300 . 3.800 1.971 1.779 2.191 0.021 9 0 "[ . 1 . 2]" 2
865 1 101 SER HA 1 101 SER HB3 2.700 . 3.200 2.691 2.618 2.871 . 0 0 "[ . 1 . 2]" 2
866 1 101 SER HA 1 101 SER HB2 2.700 . 3.200 2.981 2.880 3.009 . 0 0 "[ . 1 . 2]" 2
867 1 104 GLU HA 1 104 GLU HB2 2.700 . 3.200 3.032 3.024 3.039 . 0 0 "[ . 1 . 2]" 2
868 1 92 PHE QD 1 105 LEU MD2 6.000 . 6.500 3.406 1.959 4.766 . 0 0 "[ . 1 . 2]" 2
869 1 100 ILE MG 1 105 LEU HA 6.000 . 6.500 3.582 3.085 4.115 . 0 0 "[ . 1 . 2]" 2
870 1 102 ALA HA 1 105 LEU HB3 3.300 . 3.800 3.810 3.616 3.970 0.170 10 0 "[ . 1 . 2]" 2
871 1 102 ALA HA 1 105 LEU HB2 3.300 . 3.800 2.889 2.328 3.321 . 0 0 "[ . 1 . 2]" 2
872 1 105 LEU HA 1 105 LEU HB2 2.700 . 3.200 2.804 2.691 2.973 . 0 0 "[ . 1 . 2]" 2
873 1 105 LEU HA 1 105 LEU MD1 3.300 . 3.800 3.158 2.107 3.728 . 0 0 "[ . 1 . 2]" 2
874 1 105 LEU HB3 1 105 LEU MD1 3.300 . 3.800 2.393 2.092 3.181 . 0 0 "[ . 1 . 2]" 2
875 1 105 LEU HA 1 105 LEU MD2 3.300 . 3.800 2.295 1.935 3.656 . 0 0 "[ . 1 . 2]" 2
876 1 105 LEU HB3 1 105 LEU MD2 3.300 . 3.800 2.614 2.162 3.215 . 0 0 "[ . 1 . 2]" 2
877 1 105 LEU HB2 1 105 LEU MD2 3.300 . 3.800 2.916 2.440 3.204 . 0 0 "[ . 1 . 2]" 2
878 1 103 ALA HA 1 106 ARG QB 2.700 . 3.200 2.790 2.604 3.073 . 0 0 "[ . 1 . 2]" 2
879 1 103 ALA MB 1 106 ARG HB2 6.000 . 6.500 4.728 4.007 5.253 . 0 0 "[ . 1 . 2]" 2
880 1 103 ALA HA 1 106 ARG HD3 3.300 . 3.800 3.521 2.208 3.895 0.095 4 0 "[ . 1 . 2]" 2
881 1 106 ARG HA 1 106 ARG HG3 2.700 . 3.200 2.644 2.480 2.961 . 0 0 "[ . 1 . 2]" 2
882 1 106 ARG HD2 1 106 ARG HG3 2.700 . 3.200 2.454 2.409 2.527 . 0 0 "[ . 1 . 2]" 2
883 1 106 ARG HA 1 106 ARG HG2 3.300 . 3.800 2.872 2.408 3.219 . 0 0 "[ . 1 . 2]" 2
884 1 94 LYS HD2 1 107 HIS QB 3.300 . 3.800 3.659 1.967 3.921 0.121 12 0 "[ . 1 . 2]" 2
885 1 107 HIS HA 1 107 HIS HB2 2.700 . 3.200 2.693 2.472 3.015 . 0 0 "[ . 1 . 2]" 2
886 1 92 PHE HA 1 108 VAL MG1 6.000 . 6.500 4.346 3.821 4.795 . 0 0 "[ . 1 . 2]" 2
887 1 92 PHE HZ 1 108 VAL MG1 6.000 . 6.500 2.506 2.000 3.137 . 0 0 "[ . 1 . 2]" 2
888 1 91 VAL MG2 1 92 PHE HA 6.000 . 6.500 5.273 3.449 5.496 . 0 0 "[ . 1 . 2]" 2
889 1 94 LYS QG 1 108 VAL MG2 6.000 . 6.500 4.677 3.654 6.169 . 0 0 "[ . 1 . 2]" 2
890 1 105 LEU HA 1 108 VAL HB 3.300 . 3.800 3.675 3.452 3.848 0.048 18 0 "[ . 1 . 2]" 2
891 1 92 PHE HA 1 108 VAL MG2 6.000 . 6.500 2.540 2.065 2.903 . 0 0 "[ . 1 . 2]" 2
892 1 107 HIS HA 1 108 VAL HA 6.000 . 6.500 4.789 4.776 4.807 . 0 0 "[ . 1 . 2]" 2
893 1 108 VAL HA 1 108 VAL MG1 3.300 . 3.800 2.386 2.305 2.450 . 0 0 "[ . 1 . 2]" 2
894 1 108 VAL HA 1 108 VAL MG2 2.700 . 3.200 2.297 2.180 2.405 . 0 0 "[ . 1 . 2]" 2
895 1 108 VAL MG1 1 108 VAL MG2 2.700 . 3.200 2.009 1.895 2.075 . 0 0 "[ . 1 . 2]" 2
896 1 105 LEU MD1 1 109 MET ME 6.000 . 6.500 3.637 1.788 4.877 0.012 15 0 "[ . 1 . 2]" 2
897 1 105 LEU MD2 1 109 MET ME 6.000 . 6.500 3.280 1.851 6.073 . 0 0 "[ . 1 . 2]" 2
898 1 105 LEU MD1 1 109 MET HG3 6.000 . 6.500 4.249 2.607 5.888 . 0 0 "[ . 1 . 2]" 2
899 1 105 LEU MD2 1 124 MET QG 6.000 . 6.500 4.293 2.481 6.331 . 0 0 "[ . 1 . 2]" 2
900 1 106 ARG HA 1 109 MET HB3 6.000 . 6.500 4.177 3.678 4.645 . 0 0 "[ . 1 . 2]" 2
901 1 109 MET HA 1 109 MET HB2 2.700 . 3.200 3.030 3.026 3.035 . 0 0 "[ . 1 . 2]" 2
902 1 109 MET HA 1 109 MET HG3 3.300 . 3.800 3.294 2.901 3.720 . 0 0 "[ . 1 . 2]" 2
903 1 109 MET HA 1 109 MET HG2 3.300 . 3.800 2.536 2.331 2.911 . 0 0 "[ . 1 . 2]" 2
904 1 109 MET HB2 1 109 MET HG2 2.700 . 3.200 2.827 2.535 3.034 . 0 0 "[ . 1 . 2]" 2
905 1 109 MET ME 1 109 MET HG2 3.300 . 3.800 2.362 1.926 3.349 . 0 0 "[ . 1 . 2]" 2
906 1 107 HIS HA 1 110 THR MG 6.000 . 6.500 4.591 4.259 4.947 . 0 0 "[ . 1 . 2]" 2
907 1 109 MET HB2 1 110 THR HA 6.000 . 6.500 4.477 4.425 4.522 . 0 0 "[ . 1 . 2]" 2
908 1 110 THR HA 1 110 THR HB 2.700 . 3.200 3.018 2.626 3.042 . 0 0 "[ . 1 . 2]" 2
909 1 110 THR HA 1 110 THR MG 2.700 . 3.200 2.364 2.233 2.453 . 0 0 "[ . 1 . 2]" 2
910 1 108 VAL HA 1 111 ASN HB3 6.000 . 6.500 3.427 2.246 4.129 . 0 0 "[ . 1 . 2]" 2
911 1 108 VAL HA 1 111 ASN HB2 6.000 . 6.500 2.647 2.080 3.547 . 0 0 "[ . 1 . 2]" 2
912 1 111 ASN HA 1 111 ASN HB3 2.700 . 3.200 2.721 2.542 3.044 . 0 0 "[ . 1 . 2]" 2
913 1 109 MET HA 1 112 LEU MD1 2.700 . 3.200 2.157 1.996 2.358 . 0 0 "[ . 1 . 2]" 2
914 1 112 LEU HA 1 112 LEU HB3 2.700 . 3.200 2.611 2.561 2.664 . 0 0 "[ . 1 . 2]" 2
915 1 112 LEU HA 1 112 LEU HB2 2.700 . 3.200 3.010 2.989 3.023 . 0 0 "[ . 1 . 2]" 2
916 1 112 LEU HB3 1 112 LEU MD2 2.700 . 3.200 2.227 2.133 2.306 . 0 0 "[ . 1 . 2]" 2
917 1 112 LEU HA 1 112 LEU HG 3.300 . 3.800 2.641 2.457 2.727 . 0 0 "[ . 1 . 2]" 2
918 1 111 ASN HA 1 113 GLY HA2 6.000 . 6.500 5.253 5.076 5.364 . 0 0 "[ . 1 . 2]" 2
919 1 114 GLU HG2 1 116 LEU MD1 6.000 . 6.500 3.918 1.999 5.349 . 0 0 "[ . 1 . 2]" 2
920 1 114 GLU HA 1 114 GLU HB2 2.700 . 3.200 2.760 2.477 3.035 . 0 0 "[ . 1 . 2]" 2
921 1 114 GLU HA 1 114 GLU HG3 3.300 . 3.800 2.735 2.448 3.003 . 0 0 "[ . 1 . 2]" 2
922 1 114 GLU HB3 1 114 GLU HG3 2.700 . 3.200 2.980 2.495 3.035 . 0 0 "[ . 1 . 2]" 2
923 1 114 GLU HB2 1 114 GLU HG3 2.700 . 3.200 2.543 2.471 3.036 . 0 0 "[ . 1 . 2]" 2
924 1 114 GLU HA 1 114 GLU HG2 3.300 . 3.800 2.829 2.405 3.731 . 0 0 "[ . 1 . 2]" 2
925 1 114 GLU QG 1 115 LYS HA 6.000 . 6.500 5.002 4.008 5.929 . 0 0 "[ . 1 . 2]" 2
926 1 115 LYS HA 1 115 LYS HB3 2.700 . 3.200 2.534 2.506 2.549 . 0 0 "[ . 1 . 2]" 2
927 1 115 LYS HA 1 115 LYS HB2 2.700 . 3.200 3.033 3.028 3.038 . 0 0 "[ . 1 . 2]" 2
928 1 115 LYS HA 1 115 LYS HG3 3.300 . 3.800 3.060 2.871 3.731 . 0 0 "[ . 1 . 2]" 2
929 1 115 LYS HB2 1 115 LYS HG3 2.700 . 3.200 2.459 2.383 2.498 . 0 0 "[ . 1 . 2]" 2
930 1 115 LYS QE 1 115 LYS HG3 3.300 . 3.800 2.495 2.220 3.311 . 0 0 "[ . 1 . 2]" 2
931 1 115 LYS HA 1 115 LYS HG2 3.300 . 3.800 2.490 2.403 2.858 . 0 0 "[ . 1 . 2]" 2
932 1 115 LYS HB3 1 115 LYS HG2 2.700 . 3.200 2.551 2.441 3.029 . 0 0 "[ . 1 . 2]" 2
933 1 109 MET HB3 1 116 LEU MD1 6.000 . 6.500 2.549 1.995 3.401 . 0 0 "[ . 1 . 2]" 2
934 1 109 MET HB2 1 116 LEU MD1 3.300 . 3.800 3.555 2.735 3.887 0.087 15 0 "[ . 1 . 2]" 2
935 1 109 MET QG 1 116 LEU MD1 6.000 . 6.500 3.264 2.670 3.823 . 0 0 "[ . 1 . 2]" 2
936 1 114 GLU HG3 1 116 LEU MD2 6.000 . 6.500 4.821 2.520 6.295 . 0 0 "[ . 1 . 2]" 2
937 1 110 THR HA 1 115 LYS QB 6.000 . 6.500 5.971 4.931 6.457 . 0 0 "[ . 1 . 2]" 2
938 1 114 GLU HB3 1 116 LEU MD1 6.000 . 6.500 3.281 2.166 4.910 . 0 0 "[ . 1 . 2]" 2
939 1 114 GLU HG2 1 116 LEU HG 6.000 . 6.500 4.463 2.077 6.222 . 0 0 "[ . 1 . 2]" 2
940 1 116 LEU HA 1 116 LEU HB3 2.700 . 3.200 2.463 2.345 2.494 . 0 0 "[ . 1 . 2]" 2
941 1 116 LEU HA 1 116 LEU MD2 2.700 . 3.200 2.333 1.920 3.496 0.296 13 0 "[ . 1 . 2]" 2
942 1 116 LEU HB3 1 116 LEU MD2 2.700 . 3.200 2.294 1.977 3.213 0.013 11 0 "[ . 1 . 2]" 2
943 1 116 LEU HA 1 117 THR HA 6.000 . 6.500 4.444 4.410 4.459 . 0 0 "[ . 1 . 2]" 2
944 1 117 THR HA 1 117 THR HB 2.700 . 3.200 2.849 2.561 3.005 . 0 0 "[ . 1 . 2]" 2
945 1 117 THR HA 1 117 THR MG 2.700 . 3.200 2.146 2.016 2.242 . 0 0 "[ . 1 . 2]" 2
946 1 118 ASP HA 1 118 ASP HB3 2.700 . 3.200 2.742 2.477 3.044 . 0 0 "[ . 1 . 2]" 2
947 1 118 ASP HA 1 118 ASP HB2 2.700 . 3.200 2.749 2.463 3.036 . 0 0 "[ . 1 . 2]" 2
948 1 117 THR HB 1 119 GLU HB2 6.000 . 6.500 2.654 2.428 3.066 . 0 0 "[ . 1 . 2]" 2
949 1 119 GLU HA 1 119 GLU HG3 2.700 . 3.200 2.935 2.819 3.031 . 0 0 "[ . 1 . 2]" 2
950 1 119 GLU HB3 1 119 GLU HG3 2.700 . 3.200 3.034 3.028 3.035 . 0 0 "[ . 1 . 2]" 2
951 1 119 GLU HA 1 119 GLU HG2 2.700 . 3.200 2.448 2.420 2.526 . 0 0 "[ . 1 . 2]" 2
952 1 116 LEU HA 1 120 GLU HB2 3.300 . 3.800 3.898 3.817 3.976 0.176 9 0 "[ . 1 . 2]" 2
953 1 116 LEU HB3 1 120 GLU HB2 6.000 . 6.500 2.740 2.276 4.470 . 0 0 "[ . 1 . 2]" 2
954 1 116 LEU HB2 1 120 GLU HB2 3.300 . 3.800 3.697 2.811 3.932 0.132 9 0 "[ . 1 . 2]" 2
955 1 116 LEU MD2 1 120 GLU QB 6.000 . 6.500 3.112 2.102 4.441 . 0 0 "[ . 1 . 2]" 2
956 1 116 LEU HB3 1 120 GLU HG2 3.300 . 3.800 3.617 2.448 3.987 0.187 15 0 "[ . 1 . 2]" 2
957 1 117 THR HA 1 120 GLU HB2 5.000 . 5.500 4.434 4.262 4.864 . 0 0 "[ . 1 . 2]" 2
958 1 120 GLU HA 1 120 GLU HB3 2.700 . 3.200 2.817 2.686 3.014 . 0 0 "[ . 1 . 2]" 2
959 1 120 GLU HA 1 120 GLU HB2 2.700 . 3.200 2.889 2.625 2.991 . 0 0 "[ . 1 . 2]" 2
960 1 120 GLU HA 1 120 GLU HG3 2.700 . 3.200 2.331 1.971 3.374 0.174 19 0 "[ . 1 . 2]" 2
961 1 120 GLU HB3 1 120 GLU HG3 2.700 . 3.200 2.979 2.707 3.037 . 0 0 "[ . 1 . 2]" 2
962 1 120 GLU HA 1 120 GLU HG2 2.700 . 3.200 2.720 2.002 3.285 0.085 4 0 "[ . 1 . 2]" 2
963 1 120 GLU HB3 1 120 GLU HG2 2.700 . 3.200 2.380 2.245 2.973 . 0 0 "[ . 1 . 2]" 2
964 1 102 ALA HA 1 121 VAL MG1 3.300 . 3.800 2.492 2.023 3.322 . 0 0 "[ . 1 . 2]" 2
965 1 102 ALA MB 1 121 VAL MG1 6.000 . 6.500 2.438 1.906 3.335 . 0 0 "[ . 1 . 2]" 2
966 1 103 ALA HA 1 121 VAL MG1 6.000 . 6.500 4.381 3.891 4.921 . 0 0 "[ . 1 . 2]" 2
967 1 105 LEU HB3 1 121 VAL MG1 6.000 . 6.500 2.090 1.876 2.564 . 0 0 "[ . 1 . 2]" 2
968 1 105 LEU MD1 1 121 VAL MG1 6.000 . 6.500 2.581 1.892 3.665 . 0 0 "[ . 1 . 2]" 2
969 1 105 LEU MD2 1 121 VAL MG1 6.000 . 6.500 3.268 2.239 4.204 . 0 0 "[ . 1 . 2]" 2
970 1 100 ILE MG 1 105 LEU QB 6.000 . 6.500 3.340 2.970 4.097 . 0 0 "[ . 1 . 2]" 2
971 1 106 ARG HA 1 121 VAL MG1 6.000 . 6.500 3.968 2.827 4.766 . 0 0 "[ . 1 . 2]" 2
972 1 106 ARG HB2 1 121 VAL MG1 6.000 . 6.500 3.481 1.968 4.964 . 0 0 "[ . 1 . 2]" 2
973 1 120 GLU QB 1 121 VAL MG2 4.000 . 4.500 3.011 2.735 3.187 . 0 0 "[ . 1 . 2]" 2
974 1 116 LEU HB3 1 121 VAL MG2 4.000 . 4.500 3.734 3.254 4.527 0.027 18 0 "[ . 1 . 2]" 2
975 1 116 LEU HB2 1 121 VAL MG2 3.300 . 3.800 3.296 2.891 3.787 . 0 0 "[ . 1 . 2]" 2
976 1 118 ASP HA 1 121 VAL HB 2.700 . 3.200 2.796 2.498 3.007 . 0 0 "[ . 1 . 2]" 2
977 1 118 ASP HA 1 121 VAL MG1 6.000 . 6.500 4.060 3.747 4.270 . 0 0 "[ . 1 . 2]" 2
978 1 118 ASP HA 1 121 VAL MG2 6.000 . 6.500 2.684 2.460 2.912 . 0 0 "[ . 1 . 2]" 2
979 1 120 GLU HB3 1 121 VAL HA 3.300 . 3.800 3.997 3.893 4.061 0.261 2 0 "[ . 1 . 2]" 2
980 1 119 GLU HA 1 122 ASP HB3 2.700 . 3.200 2.779 2.659 2.927 . 0 0 "[ . 1 . 2]" 2
981 1 119 GLU HA 1 122 ASP HB2 3.300 . 3.800 3.100 2.971 3.263 . 0 0 "[ . 1 . 2]" 2
982 1 122 ASP HA 1 122 ASP HB3 2.700 . 3.200 3.038 3.035 3.041 . 0 0 "[ . 1 . 2]" 2
983 1 122 ASP HA 1 122 ASP HB2 2.700 . 3.200 2.496 2.472 2.533 . 0 0 "[ . 1 . 2]" 2
984 1 123 GLU HA 1 123 GLU HB3 2.700 . 3.200 3.019 2.985 3.035 . 0 0 "[ . 1 . 2]" 2
985 1 123 GLU HA 1 123 GLU HB2 2.700 . 3.200 2.587 2.538 2.687 . 0 0 "[ . 1 . 2]" 2
986 1 123 GLU HA 1 123 GLU HG3 2.700 . 3.200 2.257 2.065 2.389 . 0 0 "[ . 1 . 2]" 2
987 1 123 GLU HB2 1 123 GLU HG3 2.700 . 3.200 2.499 2.447 2.626 . 0 0 "[ . 1 . 2]" 2
988 1 123 GLU HA 1 123 GLU HG2 2.700 . 3.200 2.922 2.794 3.015 . 0 0 "[ . 1 . 2]" 2
989 1 123 GLU HB2 1 123 GLU HG2 2.700 . 3.200 3.027 3.004 3.033 . 0 0 "[ . 1 . 2]" 2
990 1 105 LEU MD2 1 124 MET ME 6.000 . 6.500 4.126 1.906 6.228 . 0 0 "[ . 1 . 2]" 2
991 1 121 VAL HA 1 124 MET QB 6.000 . 6.500 2.958 2.784 3.324 . 0 0 "[ . 1 . 2]" 2
992 1 121 VAL HA 1 124 MET ME 6.000 . 6.500 4.031 3.227 4.931 . 0 0 "[ . 1 . 2]" 2
993 1 124 MET HA 1 124 MET HB3 2.700 . 3.200 2.549 2.509 2.588 . 0 0 "[ . 1 . 2]" 2
994 1 124 MET QB 1 124 MET ME 3.300 . 3.800 3.075 1.950 3.630 . 0 0 "[ . 1 . 2]" 2
995 1 124 MET HA 1 124 MET HG3 3.300 . 3.800 3.233 2.883 3.733 . 0 0 "[ . 1 . 2]" 2
996 1 124 MET HA 1 124 MET HG2 2.700 . 3.200 2.556 2.409 2.894 . 0 0 "[ . 1 . 2]" 2
997 1 101 SER HA 1 125 ILE MD 6.000 . 6.500 4.200 3.235 4.954 . 0 0 "[ . 1 . 2]" 2
998 1 102 ALA HA 1 125 ILE MD 5.000 2.800 5.500 2.855 2.685 3.312 0.115 14 0 "[ . 1 . 2]" 2
999 1 102 ALA MB 1 125 ILE MD 5.000 2.800 5.500 3.074 2.668 4.003 0.132 9 0 "[ . 1 . 2]" 2
1000 1 102 ALA HA 1 125 ILE HG13 6.000 . 6.500 4.041 2.804 4.736 . 0 0 "[ . 1 . 2]" 2
1001 1 102 ALA HA 1 125 ILE HG12 6.000 . 6.500 4.214 3.252 4.876 . 0 0 "[ . 1 . 2]" 2
1002 1 125 ILE MD 1 136 VAL MG2 6.000 . 6.500 3.424 1.953 4.492 . 0 0 "[ . 1 . 2]" 2
1003 1 121 VAL MG1 1 125 ILE MD 6.000 . 6.500 3.037 2.207 4.053 . 0 0 "[ . 1 . 2]" 2
1004 1 122 ASP HA 1 125 ILE HB 2.700 . 3.200 3.137 3.020 3.209 0.009 18 0 "[ . 1 . 2]" 2
1005 1 122 ASP HA 1 125 ILE QG 3.300 . 3.800 3.138 2.710 3.485 . 0 0 "[ . 1 . 2]" 2
1006 1 122 ASP HA 1 125 ILE MG 6.000 . 6.500 4.268 4.164 4.355 . 0 0 "[ . 1 . 2]" 2
1007 1 105 LEU HG 1 124 MET QB 3.300 . 3.800 3.937 3.789 4.121 0.321 19 0 "[ . 1 . 2]" 2
1008 1 125 ILE HB 1 125 ILE MD 3.300 . 3.800 2.558 2.125 3.222 . 0 0 "[ . 1 . 2]" 2
1009 1 125 ILE HA 1 125 ILE HG13 3.300 . 3.800 3.184 2.841 3.720 . 0 0 "[ . 1 . 2]" 2
1010 1 125 ILE HB 1 125 ILE HG13 2.700 . 3.200 2.511 2.458 2.561 . 0 0 "[ . 1 . 2]" 2
1011 1 125 ILE HA 1 125 ILE HG12 2.700 . 3.200 2.741 2.541 3.060 . 0 0 "[ . 1 . 2]" 2
1012 1 125 ILE HA 1 125 ILE MG 3.300 . 3.800 2.387 2.298 2.466 . 0 0 "[ . 1 . 2]" 2
1013 1 125 ILE HG12 1 125 ILE MG 2.700 . 3.200 2.599 2.163 3.208 0.008 20 0 "[ . 1 . 2]" 2
1014 1 123 GLU HA 1 126 ARG QB 2.700 . 3.200 2.418 2.296 2.601 . 0 0 "[ . 1 . 2]" 2
1015 1 123 GLU HG3 1 126 ARG HB2 3.300 . 3.800 3.883 3.642 3.977 0.177 2 0 "[ . 1 . 2]" 2
1016 1 123 GLU HA 1 126 ARG HD3 3.300 . 3.800 3.559 3.230 3.871 0.071 17 0 "[ . 1 . 2]" 2
1017 1 125 ILE MG 1 134 GLY HA2 6.000 . 6.500 2.769 2.249 3.239 . 0 0 "[ . 1 . 2]" 2
1018 1 126 ARG HA 1 126 ARG HB2 2.700 . 3.200 2.623 2.532 3.016 . 0 0 "[ . 1 . 2]" 2
1019 1 126 ARG HA 1 126 ARG HD3 4.000 . 4.500 4.485 4.179 4.546 0.046 16 0 "[ . 1 . 2]" 2
1020 1 126 ARG HA 1 126 ARG HD2 3.300 . 3.800 3.997 3.897 4.090 0.290 8 0 "[ . 1 . 2]" 2
1021 1 126 ARG HA 1 126 ARG HG3 2.700 . 3.200 2.277 2.128 3.414 0.214 8 0 "[ . 1 . 2]" 2
1022 1 126 ARG HD3 1 126 ARG HG3 2.700 . 3.200 2.976 2.463 3.035 . 0 0 "[ . 1 . 2]" 2
1023 1 126 ARG HA 1 126 ARG HG2 2.700 . 3.200 2.953 2.127 3.110 . 0 0 "[ . 1 . 2]" 2
1024 1 126 ARG HD3 1 126 ARG HG2 2.700 . 3.200 2.553 2.469 3.042 . 0 0 "[ . 1 . 2]" 2
1025 1 124 MET HA 1 127 GLU HG3 6.000 . 6.500 3.455 3.165 3.680 . 0 0 "[ . 1 . 2]" 2
1026 1 127 GLU HA 1 127 GLU HB3 2.700 . 3.200 2.544 2.532 2.611 . 0 0 "[ . 1 . 2]" 2
1027 1 127 GLU HA 1 127 GLU HB2 2.700 . 3.200 3.026 3.009 3.032 . 0 0 "[ . 1 . 2]" 2
1028 1 127 GLU HA 1 127 GLU HG3 2.700 . 3.200 2.882 2.769 2.928 . 0 0 "[ . 1 . 2]" 2
1029 1 127 GLU HB3 1 127 GLU HG3 2.700 . 3.200 3.027 3.023 3.030 . 0 0 "[ . 1 . 2]" 2
1030 1 127 GLU HA 1 127 GLU HG2 2.700 . 3.200 2.425 2.394 2.517 . 0 0 "[ . 1 . 2]" 2
1031 1 125 ILE HA 1 128 ALA HA 6.000 . 6.500 6.162 5.966 6.314 . 0 0 "[ . 1 . 2]" 2
1032 1 125 ILE HA 1 128 ALA MB 6.000 . 6.500 3.566 3.239 3.810 . 0 0 "[ . 1 . 2]" 2
1033 1 128 ALA MB 1 136 VAL HB 6.000 . 6.500 4.025 3.694 4.372 . 0 0 "[ . 1 . 2]" 2
1034 1 125 ILE MG 1 129 ASP HB3 3.300 . 3.800 3.220 2.706 3.752 . 0 0 "[ . 1 . 2]" 2
1035 1 125 ILE MG 1 129 ASP HB2 3.300 . 3.800 2.254 1.974 2.469 . 0 0 "[ . 1 . 2]" 2
1036 1 126 ARG HA 1 129 ASP HB3 3.300 . 3.800 2.449 2.172 2.856 . 0 0 "[ . 1 . 2]" 2
1037 1 126 ARG HA 1 129 ASP HB2 6.000 . 6.500 3.500 2.871 4.018 . 0 0 "[ . 1 . 2]" 2
1038 1 129 ASP HA 1 129 ASP HB3 2.700 . 3.200 3.033 3.021 3.040 . 0 0 "[ . 1 . 2]" 2
1039 1 129 ASP HA 1 129 ASP HB2 2.700 . 3.200 2.510 2.460 2.565 . 0 0 "[ . 1 . 2]" 2
1040 1 130 ILE HB 1 130 ILE MD 3.300 . 3.800 2.277 2.169 2.386 . 0 0 "[ . 1 . 2]" 2
1041 1 130 ILE HA 1 130 ILE HG13 2.700 . 3.200 2.958 2.927 2.997 . 0 0 "[ . 1 . 2]" 2
1042 1 130 ILE HA 1 130 ILE HG12 3.300 . 3.800 2.562 2.475 2.600 . 0 0 "[ . 1 . 2]" 2
1043 1 130 ILE HA 1 130 ILE MG 2.700 . 3.200 2.390 2.318 2.457 . 0 0 "[ . 1 . 2]" 2
1044 1 130 ILE HG13 1 130 ILE MG 3.300 . 3.800 3.190 3.178 3.201 . 0 0 "[ . 1 . 2]" 2
1045 1 130 ILE HG12 1 130 ILE MG 3.300 . 3.800 2.295 2.182 2.396 . 0 0 "[ . 1 . 2]" 2
1046 1 130 ILE MG 1 131 ASP HA 6.000 . 6.500 3.566 3.476 3.710 . 0 0 "[ . 1 . 2]" 2
1047 1 131 ASP HA 1 131 ASP HB3 2.700 . 3.200 2.447 2.397 2.475 . 0 0 "[ . 1 . 2]" 2
1048 1 131 ASP HA 1 131 ASP HB2 2.700 . 3.200 2.474 2.444 2.533 . 0 0 "[ . 1 . 2]" 2
1049 1 133 ASP HA 1 133 ASP HB3 2.700 . 3.200 2.510 2.474 2.637 . 0 0 "[ . 1 . 2]" 2
1050 1 133 ASP HA 1 133 ASP HB2 2.700 . 3.200 2.413 2.321 2.444 . 0 0 "[ . 1 . 2]" 2
1051 1 125 ILE MG 1 134 GLY HA3 6.000 . 6.500 3.823 3.432 4.185 . 0 0 "[ . 1 . 2]" 2
1052 1 99 TYR QB 1 135 GLN HB3 6.000 . 6.500 2.567 2.028 2.968 . 0 0 "[ . 1 . 2]" 2
1053 1 99 TYR HB3 1 135 GLN HB2 6.000 . 6.500 4.114 2.366 5.104 . 0 0 "[ . 1 . 2]" 2
1054 1 99 TYR HB2 1 135 GLN HB2 6.000 . 6.500 4.477 3.634 5.300 . 0 0 "[ . 1 . 2]" 2
1055 1 99 TYR HB2 1 135 GLN HG3 6.000 . 6.500 5.920 5.223 6.518 0.018 5 0 "[ . 1 . 2]" 2
1056 1 99 TYR HB2 1 135 GLN HG2 6.000 . 6.500 5.154 4.713 6.000 . 0 0 "[ . 1 . 2]" 2
1057 1 101 SER HA 1 135 GLN HG2 3.300 . 3.800 3.376 2.587 3.866 0.066 16 0 "[ . 1 . 2]" 2
1058 1 125 ILE MD 1 135 GLN HA 6.000 . 6.500 3.633 3.075 4.701 . 0 0 "[ . 1 . 2]" 2
1059 1 125 ILE MG 1 135 GLN HA 6.000 . 6.500 2.772 2.251 3.654 . 0 0 "[ . 1 . 2]" 2
1060 1 135 GLN HA 1 135 GLN HB3 2.700 . 3.200 2.502 2.475 2.521 . 0 0 "[ . 1 . 2]" 2
1061 1 135 GLN HA 1 135 GLN HB2 2.700 . 3.200 3.040 3.036 3.044 . 0 0 "[ . 1 . 2]" 2
1062 1 135 GLN HA 1 135 GLN QG 2.700 . 3.200 2.377 2.330 2.469 . 0 0 "[ . 1 . 2]" 2
1063 1 135 GLN HB3 1 135 GLN HG3 2.700 . 3.200 3.030 3.015 3.034 . 0 0 "[ . 1 . 2]" 2
1064 1 135 GLN HA 1 135 GLN HG2 3.300 . 3.800 2.493 2.437 2.693 . 0 0 "[ . 1 . 2]" 2
1065 1 100 ILE HB 1 136 VAL HB 3.300 . 3.800 2.834 2.404 3.161 . 0 0 "[ . 1 . 2]" 2
1066 1 100 ILE MD 1 136 VAL HB 6.000 . 6.500 2.881 1.976 3.552 . 0 0 "[ . 1 . 2]" 2
1067 1 136 VAL MG1 1 140 GLU QB 6.000 . 6.500 2.515 2.087 3.974 . 0 0 "[ . 1 . 2]" 2
1068 1 125 ILE HA 1 136 VAL MG2 6.000 . 6.500 2.442 2.105 3.109 . 0 0 "[ . 1 . 2]" 2
1069 1 125 ILE HB 1 136 VAL MG2 6.000 . 6.500 4.464 4.122 5.108 . 0 0 "[ . 1 . 2]" 2
1070 1 63 ILE QG 1 71 MET ME 6.000 . 6.500 5.175 3.827 5.707 . 0 0 "[ . 1 . 2]" 2
1071 1 128 ALA MB 1 136 VAL MG2 3.300 . 3.800 2.020 1.786 2.435 0.014 5 0 "[ . 1 . 2]" 2
1072 1 129 ASP HA 1 136 VAL HA 6.000 . 6.500 3.643 3.238 4.124 . 0 0 "[ . 1 . 2]" 2
1073 1 129 ASP HA 1 136 VAL MG2 6.000 . 6.500 3.486 3.136 3.851 . 0 0 "[ . 1 . 2]" 2
1074 1 129 ASP HB3 1 136 VAL MG2 6.000 . 6.500 4.432 3.904 4.914 . 0 0 "[ . 1 . 2]" 2
1075 1 135 GLN HA 1 136 VAL MG2 6.000 . 6.500 3.449 3.325 3.675 . 0 0 "[ . 1 . 2]" 2
1076 1 136 VAL HA 1 136 VAL MG1 3.300 . 3.800 2.338 2.248 2.496 . 0 0 "[ . 1 . 2]" 2
1077 1 136 VAL HA 1 136 VAL MG2 3.300 . 3.800 2.351 2.271 2.459 . 0 0 "[ . 1 . 2]" 2
1078 1 89 PHE HE2 1 137 ASN HA 6.000 . 6.500 4.114 3.341 4.928 . 0 0 "[ . 1 . 2]" 2
1079 1 99 TYR HA 1 137 ASN HA 2.700 . 3.200 2.874 2.120 3.332 0.132 5 0 "[ . 1 . 2]" 2
1080 1 99 TYR HB3 1 137 ASN HA 6.000 . 6.500 3.363 1.950 5.430 . 0 0 "[ . 1 . 2]" 2
1081 1 99 TYR QD 1 137 ASN HA 6.000 . 6.500 3.684 1.986 4.632 . 0 0 "[ . 1 . 2]" 2
1082 1 99 TYR HA 1 137 ASN HB3 6.000 . 6.500 5.038 4.203 5.942 . 0 0 "[ . 1 . 2]" 2
1083 1 99 TYR HA 1 137 ASN HB2 6.000 . 6.500 5.523 4.463 6.370 . 0 0 "[ . 1 . 2]" 2
1084 1 137 ASN HA 1 137 ASN HB3 2.700 . 3.200 2.499 2.433 3.014 . 0 0 "[ . 1 . 2]" 2
1085 1 137 ASN HA 1 137 ASN HB2 2.700 . 3.200 2.868 2.470 3.040 . 0 0 "[ . 1 . 2]" 2
1086 1 99 TYR QD 1 137 ASN QB 6.000 . 6.500 4.172 2.255 5.015 . 0 0 "[ . 1 . 2]" 2
1087 1 86 ARG HA 1 138 TYR HE2 6.000 . 6.500 4.448 3.187 6.565 0.065 5 0 "[ . 1 . 2]" 2
1088 1 89 PHE QD 1 138 TYR HA 6.000 . 6.500 3.746 3.097 4.221 . 0 0 "[ . 1 . 2]" 2
1089 1 89 PHE HE2 1 138 TYR HA 3.300 . 3.800 2.872 2.263 3.610 . 0 0 "[ . 1 . 2]" 2
1090 1 138 TYR HB3 1 138 TYR HD1 3.300 . 3.800 2.742 2.447 3.697 . 0 0 "[ . 1 . 2]" 2
1091 1 138 TYR HA 1 138 TYR HD2 3.300 . 3.800 3.277 2.946 4.015 0.215 11 0 "[ . 1 . 2]" 2
1092 1 138 TYR HB2 1 138 TYR HD2 3.300 . 3.800 2.651 2.353 3.685 . 0 0 "[ . 1 . 2]" 2
1093 1 138 TYR HD1 1 139 GLU HA 6.000 . 6.500 3.871 2.943 6.843 0.343 19 0 "[ . 1 . 2]" 2
1094 1 139 GLU HA 1 139 GLU HB3 2.700 . 3.200 2.530 2.460 2.552 . 0 0 "[ . 1 . 2]" 2
1095 1 139 GLU HA 1 139 GLU HB2 2.700 . 3.200 3.002 2.447 3.035 . 0 0 "[ . 1 . 2]" 2
1096 1 139 GLU HA 1 139 GLU HG3 3.300 . 3.800 3.543 2.963 3.767 . 0 0 "[ . 1 . 2]" 2
1097 1 139 GLU HA 1 139 GLU HG2 2.700 . 3.200 2.817 2.388 3.611 0.411 5 0 "[ . 1 . 2]" 2
1098 1 130 ILE MD 1 140 GLU HA 6.000 . 6.500 3.346 2.336 4.641 . 0 0 "[ . 1 . 2]" 2
1099 1 130 ILE HB 1 140 GLU HG3 6.000 . 6.500 5.215 4.463 6.524 0.024 3 0 "[ . 1 . 2]" 2
1100 1 140 GLU HA 1 140 GLU HB3 2.700 . 3.200 2.479 2.453 2.502 . 0 0 "[ . 1 . 2]" 2
1101 1 140 GLU HA 1 140 GLU HB2 2.700 . 3.200 3.007 2.448 3.040 . 0 0 "[ . 1 . 2]" 2
1102 1 140 GLU HA 1 140 GLU HG3 2.700 . 3.200 3.160 2.937 3.587 0.387 13 0 "[ . 1 . 2]" 2
1103 1 140 GLU HA 1 140 GLU HG2 3.300 . 3.800 2.490 2.343 3.816 0.016 13 0 "[ . 1 . 2]" 2
1104 1 85 ILE MG 1 141 PHE HD1 6.000 . 6.500 3.889 2.092 5.903 . 0 0 "[ . 1 . 2]" 2
1105 1 136 VAL MG1 1 141 PHE HA 6.000 . 6.500 2.886 2.486 3.320 . 0 0 "[ . 1 . 2]" 2
1106 1 136 VAL MG1 1 141 PHE HB3 6.000 . 6.500 3.894 3.515 4.243 . 0 0 "[ . 1 . 2]" 2
1107 1 136 VAL MG1 1 141 PHE HB2 6.000 . 6.500 2.440 2.095 2.862 . 0 0 "[ . 1 . 2]" 2
1108 1 136 VAL MG1 1 141 PHE HD2 6.000 . 6.500 3.745 2.104 5.637 . 0 0 "[ . 1 . 2]" 2
1109 1 138 TYR HA 1 141 PHE HB2 3.300 . 3.800 3.282 2.939 3.499 . 0 0 "[ . 1 . 2]" 2
1110 1 141 PHE HA 1 141 PHE HD2 3.300 . 3.800 3.465 2.971 4.379 0.579 4 1 "[ +. 1 . 2]" 2
1111 1 85 ILE MG 1 142 VAL QG 6.000 . 6.500 2.432 1.921 3.156 . 0 0 "[ . 1 . 2]" 2
1112 1 138 TYR QE 1 142 VAL QG 6.000 . 6.500 2.733 2.163 3.293 . 0 0 "[ . 1 . 2]" 2
1113 1 138 TYR HE1 1 142 VAL QG 6.000 . 6.500 3.092 2.166 4.885 . 0 0 "[ . 1 . 2]" 2
1114 1 139 GLU HA 1 142 VAL HB 5.000 . 5.500 3.448 3.046 5.137 . 0 0 "[ . 1 . 2]" 2
1115 1 139 GLU HA 1 142 VAL QG 6.000 . 6.500 3.333 2.244 3.836 . 0 0 "[ . 1 . 2]" 2
1116 1 141 PHE HD1 1 142 VAL HA 6.000 . 6.500 4.381 2.959 6.496 . 0 0 "[ . 1 . 2]" 2
1117 1 141 PHE HD1 1 142 VAL QG 6.000 . 6.500 3.683 2.136 5.721 . 0 0 "[ . 1 . 2]" 2
1118 1 142 VAL HA 1 142 VAL HB 2.700 . 3.200 3.007 2.462 3.038 . 0 0 "[ . 1 . 2]" 2
1119 1 142 VAL HA 1 142 VAL QG 2.700 . 3.200 2.086 2.023 2.171 . 0 0 "[ . 1 . 2]" 2
1120 1 142 VAL MG1 1 142 VAL MG2 2.700 . 3.200 2.029 1.922 2.081 . 0 0 "[ . 1 . 2]" 2
1121 1 130 ILE MD 1 143 GLN HB2 6.000 . 6.500 4.052 2.752 4.993 . 0 0 "[ . 1 . 2]" 2
1122 1 142 VAL HB 1 143 GLN HA 6.000 . 6.500 4.385 4.290 4.483 . 0 0 "[ . 1 . 2]" 2
1123 1 143 GLN HA 1 143 GLN QG 2.700 . 3.200 2.441 2.307 2.899 . 0 0 "[ . 1 . 2]" 2
1124 1 128 ALA MB 1 144 MET HB2 6.000 . 6.500 3.197 2.226 4.512 . 0 0 "[ . 1 . 2]" 2
1125 1 128 ALA MB 1 144 MET ME 3.300 . 3.800 2.617 1.721 3.635 0.079 6 0 "[ . 1 . 2]" 2
1126 1 128 ALA MB 1 144 MET HG2 6.000 . 6.500 4.277 3.003 5.007 . 0 0 "[ . 1 . 2]" 2
1127 1 130 ILE MD 1 143 GLN QG 3.300 . 3.800 3.229 2.475 3.879 0.079 10 0 "[ . 1 . 2]" 2
1128 1 100 ILE MD 1 136 VAL MG1 6.000 . 6.500 2.950 2.386 3.355 . 0 0 "[ . 1 . 2]" 2
1129 1 140 GLU QB 1 141 PHE HA 4.000 . 4.500 3.915 3.845 4.548 0.048 13 0 "[ . 1 . 2]" 2
1130 1 141 PHE HA 1 144 MET ME 6.000 . 6.500 3.737 2.506 5.010 . 0 0 "[ . 1 . 2]" 2
1131 1 141 PHE QD 1 144 MET ME 6.000 . 6.500 4.349 2.893 5.691 . 0 0 "[ . 1 . 2]" 2
1132 1 144 MET HA 1 144 MET HB3 2.700 . 3.200 2.997 2.546 3.038 . 0 0 "[ . 1 . 2]" 2
1133 1 144 MET HA 1 144 MET HB2 2.700 . 3.200 2.587 2.475 3.025 . 0 0 "[ . 1 . 2]" 2
1134 1 144 MET QB 1 144 MET ME 2.700 . 3.200 2.067 1.903 2.471 . 0 0 "[ . 1 . 2]" 2
1135 1 144 MET HA 1 144 MET HG3 3.300 . 3.800 2.990 2.417 3.536 . 0 0 "[ . 1 . 2]" 2
1136 1 144 MET ME 1 144 MET QG 3.300 . 3.800 2.236 2.032 2.372 . 0 0 "[ . 1 . 2]" 2
1137 1 144 MET HA 1 144 MET HG2 2.700 . 3.200 2.591 2.201 3.100 . 0 0 "[ . 1 . 2]" 2
1138 1 142 VAL HA 1 145 MET HA 6.000 . 6.500 5.605 5.368 5.905 . 0 0 "[ . 1 . 2]" 2
1139 1 144 MET ME 1 145 MET ME 6.000 . 6.500 4.008 1.984 5.463 . 0 0 "[ . 1 . 2]" 2
1140 1 144 MET ME 1 145 MET QG 3.300 . 3.800 2.936 2.243 3.808 0.008 6 0 "[ . 1 . 2]" 2
1141 1 145 MET HA 1 145 MET HG3 3.300 . 3.800 3.279 2.844 3.726 . 0 0 "[ . 1 . 2]" 2
1142 1 145 MET HA 1 145 MET HG2 2.700 . 3.200 2.596 2.318 3.018 . 0 0 "[ . 1 . 2]" 2
1143 1 145 MET ME 1 145 MET HG2 2.700 . 3.200 2.670 2.133 3.331 0.131 13 0 "[ . 1 . 2]" 2
1144 1 142 VAL QG 1 146 THR MG 6.000 . 6.500 3.453 2.294 4.313 . 0 0 "[ . 1 . 2]" 2
1145 1 145 MET HB2 1 146 THR HA 6.000 . 6.500 4.575 4.417 4.734 . 0 0 "[ . 1 . 2]" 2
1146 1 145 MET HB2 1 146 THR HB 6.000 . 6.500 4.632 3.855 5.634 . 0 0 "[ . 1 . 2]" 2
1147 1 145 MET HA 1 147 ALA MB 6.000 . 6.500 4.587 4.368 5.224 . 0 0 "[ . 1 . 2]" 2
1148 1 146 THR HA 1 147 ALA MB 6.000 . 6.500 4.747 4.504 4.954 . 0 0 "[ . 1 . 2]" 2
1149 1 145 MET QB 1 146 THR MG 6.000 . 6.500 4.312 2.670 5.063 . 0 0 "[ . 1 . 2]" 2
1150 1 148 LYS HA 1 148 LYS HB3 2.700 . 3.200 2.525 2.464 2.549 . 0 0 "[ . 1 . 2]" 2
1151 1 148 LYS HA 1 148 LYS QG 3.300 . 3.800 2.431 2.300 3.334 . 0 0 "[ . 1 . 2]" 2
1152 1 75 LYS HB2 1 76 MET HA 6.000 . 6.500 4.877 4.302 5.659 . 0 0 "[ . 1 . 2]" 2
1153 1 82 GLU HA 1 86 ARG HB2 6.000 . 6.500 5.962 5.659 6.602 0.102 19 0 "[ . 1 . 2]" 2
1154 1 83 GLU HA 1 86 ARG HB2 6.000 . 6.500 3.194 2.798 5.043 . 0 0 "[ . 1 . 2]" 2
1155 1 86 ARG HA 1 138 TYR HE1 6.000 . 6.500 5.905 2.895 6.638 0.138 1 0 "[ . 1 . 2]" 2
1156 1 83 GLU HG2 1 86 ARG HB3 6.000 . 6.500 6.300 6.033 6.592 0.092 8 0 "[ . 1 . 2]" 2
1157 1 85 ILE HB 1 86 ARG HB2 6.000 . 6.500 4.729 4.563 5.517 . 0 0 "[ . 1 . 2]" 2
1158 1 85 ILE HG12 1 142 VAL QG 6.000 . 6.500 4.345 3.654 5.242 . 0 0 "[ . 1 . 2]" 2
1159 1 85 ILE MG 1 88 ALA MB 6.000 . 6.500 3.851 3.612 4.078 . 0 0 "[ . 1 . 2]" 2
1160 1 86 ARG HG2 1 89 PHE HB3 6.000 . 6.500 5.585 5.138 6.518 0.018 19 0 "[ . 1 . 2]" 2
1161 1 87 GLU HA 1 90 ARG HB2 6.000 . 6.500 3.577 3.244 3.854 . 0 0 "[ . 1 . 2]" 2
1162 1 86 ARG QB 1 87 GLU HA 6.000 . 6.500 4.002 3.902 4.502 . 0 0 "[ . 1 . 2]" 2
1163 1 86 ARG HG2 1 90 ARG HB2 6.000 . 6.500 6.479 6.317 6.570 0.070 13 0 "[ . 1 . 2]" 2
1164 1 90 ARG HG2 1 94 LYS HA 6.000 . 6.500 6.016 5.548 6.466 . 0 0 "[ . 1 . 2]" 2
1165 1 94 LYS QD 1 104 GLU HA 6.000 . 6.500 4.121 3.118 4.790 . 0 0 "[ . 1 . 2]" 2
1166 1 95 ASP HB2 1 97 ASN HA 6.000 . 6.500 4.921 4.718 5.305 . 0 0 "[ . 1 . 2]" 2
1167 1 101 SER HA 1 135 GLN HG3 6.000 . 6.500 5.075 4.278 5.563 . 0 0 "[ . 1 . 2]" 2
1168 1 103 ALA HA 1 106 ARG HD2 6.000 . 6.500 4.026 2.273 5.227 . 0 0 "[ . 1 . 2]" 2
1169 1 104 GLU HB2 1 105 LEU HA 6.000 . 6.500 4.455 4.364 4.520 . 0 0 "[ . 1 . 2]" 2
1170 1 106 ARG HA 1 109 MET HB2 6.000 . 6.500 2.661 2.255 3.066 . 0 0 "[ . 1 . 2]" 2
1171 1 106 ARG HA 1 121 VAL MG2 6.000 . 6.500 3.016 2.485 3.727 . 0 0 "[ . 1 . 2]" 2
1172 1 109 MET HA 1 112 LEU QB 6.000 . 6.500 2.507 2.160 2.825 . 0 0 "[ . 1 . 2]" 2
1173 1 108 VAL HB 1 109 MET HA 6.000 . 6.500 4.365 4.301 4.452 . 0 0 "[ . 1 . 2]" 2
1174 1 109 MET HA 1 110 THR HA 6.000 . 6.500 4.813 4.792 4.834 . 0 0 "[ . 1 . 2]" 2
1175 1 114 GLU HA 1 115 LYS HB2 6.000 . 6.500 4.437 4.400 4.502 . 0 0 "[ . 1 . 2]" 2
1176 1 114 GLU QB 1 115 LYS HA 6.000 . 6.500 4.550 4.262 4.790 . 0 0 "[ . 1 . 2]" 2
1177 1 114 GLU HG2 1 115 LYS HB2 6.000 . 6.500 5.834 4.776 6.545 0.045 10 0 "[ . 1 . 2]" 2
1178 1 119 GLU HA 1 123 GLU HB2 6.000 . 6.500 5.334 5.079 5.499 . 0 0 "[ . 1 . 2]" 2
1179 1 106 ARG QG 1 121 VAL MG2 6.000 . 6.500 2.839 1.821 3.606 . 0 0 "[ . 1 . 2]" 2
1180 1 109 MET HB3 1 121 VAL MG2 6.000 . 6.500 4.794 3.960 5.599 . 0 0 "[ . 1 . 2]" 2
1181 1 109 MET HB2 1 121 VAL MG1 6.000 . 6.500 5.659 4.725 6.267 . 0 0 "[ . 1 . 2]" 2
1182 1 106 ARG HB3 1 121 VAL MG1 6.000 . 6.500 4.415 3.359 5.485 . 0 0 "[ . 1 . 2]" 2
1183 1 120 GLU HA 1 123 GLU HB2 6.000 . 6.500 3.622 3.198 4.027 . 0 0 "[ . 1 . 2]" 2
1184 1 125 ILE HA 1 136 VAL HB 6.000 . 6.500 4.922 4.400 5.739 . 0 0 "[ . 1 . 2]" 2
1185 1 124 MET HA 1 125 ILE HB 6.000 . 6.500 5.729 5.695 5.764 . 0 0 "[ . 1 . 2]" 2
1186 1 126 ARG HB2 1 127 GLU HA 6.000 . 6.500 5.445 4.360 5.591 . 0 0 "[ . 1 . 2]" 2
1187 1 123 GLU HA 1 126 ARG HG3 6.000 . 6.500 4.712 2.361 5.135 . 0 0 "[ . 1 . 2]" 2
1188 1 123 GLU HA 1 126 ARG HD2 6.000 . 6.500 3.914 3.520 4.569 . 0 0 "[ . 1 . 2]" 2
1189 1 129 ASP HA 1 140 GLU HG3 6.000 . 6.500 5.396 4.824 5.905 . 0 0 "[ . 1 . 2]" 2
1190 1 123 GLU HA 1 127 GLU HB2 6.000 . 6.500 6.313 6.139 6.587 0.087 14 0 "[ . 1 . 2]" 2
1191 1 130 ILE HB 1 140 GLU HA 6.000 . 6.500 4.879 4.227 5.852 . 0 0 "[ . 1 . 2]" 2
1192 1 127 GLU HA 1 130 ILE HG13 6.000 . 6.500 6.316 5.997 6.526 0.026 5 0 "[ . 1 . 2]" 2
1193 1 130 ILE MD 1 140 GLU HB3 6.000 . 6.500 3.833 2.874 4.973 . 0 0 "[ . 1 . 2]" 2
1194 1 101 SER HA 1 135 GLN HB3 6.000 . 6.500 4.498 3.925 5.195 . 0 0 "[ . 1 . 2]" 2
1195 1 100 ILE HG13 1 136 VAL HA 6.000 . 6.500 6.328 5.786 6.547 0.047 6 0 "[ . 1 . 2]" 2
1196 1 147 ALA HA 1 148 LYS QG 6.000 . 6.500 3.992 3.535 4.886 . 0 0 "[ . 1 . 2]" 2
1197 1 89 PHE HE2 1 98 GLY HA2 6.000 . 6.500 5.528 4.498 6.420 . 0 0 "[ . 1 . 2]" 2
1198 1 99 TYR HB3 1 135 GLN HG2 6.000 . 6.500 5.252 3.461 6.551 0.051 1 0 "[ . 1 . 2]" 2
1199 1 92 PHE QD 1 108 VAL MG2 6.000 . 6.500 2.805 2.344 3.434 . 0 0 "[ . 1 . 2]" 2
1200 1 99 TYR HB2 1 137 ASN HA 6.000 . 6.500 4.337 2.896 6.177 . 0 0 "[ . 1 . 2]" 2
1201 1 99 TYR HE1 1 137 ASN HA 6.000 . 6.500 6.402 5.688 6.572 0.072 1 0 "[ . 1 . 2]" 2
1202 1 138 TYR HA 1 138 TYR HE2 6.000 . 6.500 5.021 4.824 5.552 . 0 0 "[ . 1 . 2]" 2
1203 1 139 GLU HA 1 140 GLU HG3 6.000 . 6.500 5.325 5.131 5.956 . 0 0 "[ . 1 . 2]" 2
1204 1 139 GLU HG2 1 140 GLU HA 6.000 . 6.500 6.433 4.562 6.569 0.069 6 0 "[ . 1 . 2]" 2
1205 1 92 PHE HE2 1 100 ILE MG 6.000 . 6.500 6.281 4.443 7.118 0.618 19 1 "[ . 1 . +2]" 2
1206 1 78 ASP HB3 1 79 THR HA 6.000 . 6.500 4.627 4.200 5.809 . 0 0 "[ . 1 . 2]" 2
1207 1 92 PHE HA 1 100 ILE HG12 6.000 . 6.500 5.206 4.635 5.947 . 0 0 "[ . 1 . 2]" 2
1208 1 105 LEU MD1 1 136 VAL HB 6.000 . 6.500 5.995 4.647 6.561 0.061 15 0 "[ . 1 . 2]" 2
1209 1 92 PHE QE 1 108 VAL MG2 6.000 . 6.500 3.069 2.668 3.625 . 0 0 "[ . 1 . 2]" 2
1210 1 75 LYS HA 1 75 LYS HE2 6.000 . 6.500 4.595 3.833 5.001 . 0 0 "[ . 1 . 2]" 2
1211 1 77 LYS HG2 1 79 THR HB 6.000 . 6.500 6.734 6.552 6.952 0.452 1 0 "[ . 1 . 2]" 2
1212 1 77 LYS HG3 1 78 ASP HB3 6.000 . 6.500 5.710 4.270 6.705 0.205 11 0 "[ . 1 . 2]" 2
1213 1 79 THR HB 1 80 ASP HB2 6.000 . 6.500 5.713 5.311 6.177 . 0 0 "[ . 1 . 2]" 2
1214 1 80 ASP QB 1 82 GLU QG 6.000 . 6.500 3.706 3.460 3.950 . 0 0 "[ . 1 . 2]" 2
1215 1 85 ILE MG 1 138 TYR QE 6.000 . 6.500 4.103 3.367 4.861 . 0 0 "[ . 1 . 2]" 2
1216 1 119 GLU HG2 1 122 ASP HB3 6.000 . 6.500 4.774 4.555 4.927 . 0 0 "[ . 1 . 2]" 2
1217 1 105 LEU MD1 1 124 MET HB3 6.000 . 6.500 2.800 1.903 4.738 . 0 0 "[ . 1 . 2]" 2
1218 1 120 GLU HA 1 124 MET ME 6.000 . 6.500 5.307 4.037 6.627 0.127 16 0 "[ . 1 . 2]" 2
1219 1 78 ASP HB2 1 79 THR HA 6.000 . 6.500 5.347 4.647 5.783 . 0 0 "[ . 1 . 2]" 2
1220 1 114 GLU QG 1 116 LEU MD1 6.000 . 6.500 3.658 1.988 4.855 . 0 0 "[ . 1 . 2]" 2
1221 1 121 VAL HB 1 122 ASP HA 6.000 . 6.500 4.366 4.277 4.464 . 0 0 "[ . 1 . 2]" 2
1222 1 130 ILE HA 1 131 ASP HB3 6.000 . 6.500 5.798 5.734 5.925 . 0 0 "[ . 1 . 2]" 2
1223 1 130 ILE HG13 1 140 GLU HA 6.000 . 6.500 4.829 4.314 5.858 . 0 0 "[ . 1 . 2]" 2
1224 1 100 ILE HG12 1 105 LEU HG 6.000 . 6.500 6.540 6.337 6.682 0.182 15 0 "[ . 1 . 2]" 2
1225 1 92 PHE HZ 1 109 MET ME 6.000 . 6.500 4.669 3.035 6.329 . 0 0 "[ . 1 . 2]" 2
1226 1 105 LEU HB2 1 125 ILE MD 6.000 . 6.500 4.038 2.911 4.880 . 0 0 "[ . 1 . 2]" 2
1227 1 75 LYS HA 1 75 LYS HE3 6.000 . 6.500 4.649 4.191 5.362 . 0 0 "[ . 1 . 2]" 2
1228 1 74 ARG HA 1 77 LYS QE 6.000 . 6.500 3.957 1.946 6.547 0.047 16 0 "[ . 1 . 2]" 2
1229 1 102 ALA MB 1 122 ASP HA 6.000 . 6.500 3.950 2.830 4.747 . 0 0 "[ . 1 . 2]" 2
1230 1 108 VAL MG1 1 109 MET HA 6.000 . 6.500 3.551 3.365 3.758 . 0 0 "[ . 1 . 2]" 2
1231 1 123 GLU QG 1 126 ARG QD 6.000 . 6.500 3.133 2.776 4.207 . 0 0 "[ . 1 . 2]" 2
1232 1 106 ARG QD 1 121 VAL MG1 6.000 . 6.500 4.077 3.367 4.898 . 0 0 "[ . 1 . 2]" 2
1233 1 128 ALA MB 1 144 MET HG3 6.000 . 6.500 3.442 2.167 4.596 . 0 0 "[ . 1 . 2]" 2
1234 1 133 ASP HA 1 135 GLN HG3 6.000 . 6.500 5.660 5.474 5.917 . 0 0 "[ . 1 . 2]" 2
1235 1 85 ILE MG 1 141 PHE HZ 3.300 . 3.800 3.784 3.274 3.910 0.110 18 0 "[ . 1 . 2]" 2
1236 1 89 PHE HA 1 141 PHE HZ 6.000 . 6.500 4.125 3.241 4.910 . 0 0 "[ . 1 . 2]" 2
1237 1 88 ALA MB 1 141 PHE HZ 6.000 . 6.500 2.591 2.006 3.183 . 0 0 "[ . 1 . 2]" 2
1238 1 141 PHE HE2 1 145 MET ME 6.000 . 6.500 4.051 2.836 5.675 . 0 0 "[ . 1 . 2]" 2
1239 1 85 ILE HA 1 141 PHE HZ 6.000 . 6.500 3.912 3.391 4.485 . 0 0 "[ . 1 . 2]" 2
1240 1 75 LYS HA 1 78 ASP HB2 6.000 . 6.500 3.802 2.238 5.401 . 0 0 "[ . 1 . 2]" 2
1241 1 84 GLU HA 1 87 GLU QB 6.000 . 6.500 2.957 2.717 3.219 . 0 0 "[ . 1 . 2]" 2
1242 1 100 ILE MD 1 141 PHE QD 6.000 . 6.500 2.980 2.440 3.390 . 0 0 "[ . 1 . 2]" 2
1243 1 141 PHE HZ 1 145 MET ME 6.000 . 6.500 3.176 1.944 4.036 . 0 0 "[ . 1 . 2]" 2
1244 1 92 PHE QB 1 100 ILE QG 6.000 . 6.500 2.775 2.256 3.401 . 0 0 "[ . 1 . 2]" 2
1245 1 105 LEU MD1 1 121 VAL HA 6.000 . 6.500 3.346 2.168 5.356 . 0 0 "[ . 1 . 2]" 2
1246 1 109 MET QB 1 114 GLU QB 6.000 . 6.500 3.170 2.380 3.767 . 0 0 "[ . 1 . 2]" 2
1247 1 109 MET ME 1 114 GLU QB 6.000 . 6.500 4.375 2.872 5.810 . 0 0 "[ . 1 . 2]" 2
1248 1 74 ARG HA 1 77 LYS QG 6.000 . 6.500 3.724 2.808 5.840 . 0 0 "[ . 1 . 2]" 2
1249 1 74 ARG HA 1 77 LYS QD 6.000 . 6.500 3.603 2.091 5.863 . 0 0 "[ . 1 . 2]" 2
1250 1 83 GLU HA 1 86 ARG QD 6.000 . 6.500 2.665 1.983 3.010 . 0 0 "[ . 1 . 2]" 2
1251 1 93 ASP QB 1 96 GLY HA2 6.000 . 6.500 2.992 2.644 3.402 . 0 0 "[ . 1 . 2]" 2
1252 1 106 ARG HA 1 121 VAL HB 6.000 . 6.500 5.798 4.945 6.484 . 0 0 "[ . 1 . 2]" 2
1253 1 128 ALA MB 1 144 MET HA 6.000 . 6.500 5.195 4.288 5.638 . 0 0 "[ . 1 . 2]" 2
1254 1 142 VAL HA 1 145 MET QB 6.000 . 6.500 2.730 2.390 3.073 . 0 0 "[ . 1 . 2]" 2
1255 1 143 GLN QG 1 147 ALA HA 6.000 . 6.500 4.910 3.620 6.489 . 0 0 "[ . 1 . 2]" 2
1256 1 143 GLN QG 1 147 ALA MB 6.000 . 6.500 3.949 2.728 6.103 . 0 0 "[ . 1 . 2]" 2
1257 1 144 MET HA 1 147 ALA MB 6.000 . 6.500 2.567 2.106 3.392 . 0 0 "[ . 1 . 2]" 2
1258 1 109 MET QB 1 116 LEU HG 6.000 . 6.500 4.023 3.660 4.966 . 0 0 "[ . 1 . 2]" 2
1259 1 106 ARG QG 1 109 MET QB 6.000 . 6.500 3.956 3.081 4.626 . 0 0 "[ . 1 . 2]" 2
1260 1 94 LYS QB 1 104 GLU QG 6.000 . 6.500 3.447 2.744 3.925 . 0 0 "[ . 1 . 2]" 2
1261 1 100 ILE MG 1 104 GLU QB 6.000 . 6.500 2.215 1.827 2.751 . 0 0 "[ . 1 . 2]" 2
1262 1 82 GLU QG 1 142 VAL QG 6.000 . 6.500 4.904 4.095 5.849 . 0 0 "[ . 1 . 2]" 2
1263 1 85 ILE MD 1 142 VAL HA 6.000 . 6.500 3.703 2.987 4.750 . 0 0 "[ . 1 . 2]" 2
1264 1 85 ILE MG 1 142 VAL HA 6.000 . 6.500 3.336 2.845 3.920 . 0 0 "[ . 1 . 2]" 2
1265 1 85 ILE MD 1 145 MET QG 6.000 . 6.500 4.324 3.538 4.988 . 0 0 "[ . 1 . 2]" 2
1266 1 85 ILE QG 1 145 MET ME 6.000 . 6.500 2.882 1.898 5.351 . 0 0 "[ . 1 . 2]" 2
1267 1 85 ILE MD 1 146 THR HA 6.000 . 6.500 5.598 4.694 6.539 0.039 10 0 "[ . 1 . 2]" 2
1268 1 85 ILE MD 1 146 THR HB 6.000 . 6.500 5.632 3.984 6.594 0.094 19 0 "[ . 1 . 2]" 2
1269 1 85 ILE MD 1 146 THR MG 6.000 . 6.500 5.024 2.847 5.896 . 0 0 "[ . 1 . 2]" 2
1270 1 108 VAL HA 1 112 LEU MD1 6.000 . 6.500 4.028 3.756 4.399 . 0 0 "[ . 1 . 2]" 2
1271 1 77 LYS QD 1 78 ASP HA 6.000 . 6.500 5.519 4.731 6.377 . 0 0 "[ . 1 . 2]" 2
1272 1 79 THR MG 1 83 GLU QG 6.000 . 6.500 4.586 3.548 5.584 . 0 0 "[ . 1 . 2]" 2
1273 1 110 THR HA 1 112 LEU QB 6.000 . 6.500 4.635 4.549 4.801 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 105
_Distance_constraint_stats_list.Viol_count 104
_Distance_constraint_stats_list.Viol_total 133.213
_Distance_constraint_stats_list.Viol_max 0.185
_Distance_constraint_stats_list.Viol_rms 0.0167
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0032
_Distance_constraint_stats_list.Viol_average_violations_only 0.0640
_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 PHE 0.188 0.076 6 0 "[ . 1 . 2]"
1 15 ALA 0.218 0.082 11 0 "[ . 1 . 2]"
1 18 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LYS 0.334 0.063 9 0 "[ . 1 . 2]"
1 32 LEU 0.053 0.053 20 0 "[ . 1 . 2]"
1 35 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 MET 0.042 0.042 17 0 "[ . 1 . 2]"
1 38 SER 0.017 0.017 9 0 "[ . 1 . 2]"
1 39 LEU 0.077 0.052 17 0 "[ . 1 . 2]"
1 52 ILE 0.365 0.108 20 0 "[ . 1 . 2]"
1 55 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 MET 0.097 0.062 7 0 "[ . 1 . 2]"
1 74 ARG 0.567 0.132 19 0 "[ . 1 . 2]"
1 75 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 MET 1.947 0.135 1 0 "[ . 1 . 2]"
1 77 LYS 0.479 0.104 18 0 "[ . 1 . 2]"
1 84 GLU 0.237 0.135 1 0 "[ . 1 . 2]"
1 85 ILE 2.216 0.185 2 0 "[ . 1 . 2]"
1 88 ALA 0.106 0.063 20 0 "[ . 1 . 2]"
1 91 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 MET 0.048 0.048 7 0 "[ . 1 . 2]"
1 111 ASN 0.017 0.017 9 0 "[ . 1 . 2]"
1 112 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 GLY 0.334 0.063 9 0 "[ . 1 . 2]"
1 114 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 MET 0.134 0.082 2 0 "[ . 1 . 2]"
1 125 ILE 0.045 0.045 3 0 "[ . 1 . 2]"
1 127 GLU 0.168 0.051 7 0 "[ . 1 . 2]"
1 128 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 136 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 144 MET 0.313 0.141 15 0 "[ . 1 . 2]"
1 145 MET 0.524 0.088 18 0 "[ . 1 . 2]"
2 5 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 PHE 1.051 0.141 15 0 "[ . 1 . 2]"
2 8 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 ILE 0.182 0.082 2 0 "[ . 1 . 2]"
2 11 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 ARG 0.387 0.080 4 0 "[ . 1 . 2]"
2 13 LEU 0.218 0.082 11 0 "[ . 1 . 2]"
2 14 VAL 0.043 0.038 2 0 "[ . 1 . 2]"
2 15 GLY 2.279 0.185 2 0 "[ . 1 . 2]"
2 16 VAL 0.098 0.053 17 0 "[ . 1 . 2]"
2 17 LEU 0.077 0.052 17 0 "[ . 1 . 2]"
2 18 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 19 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 20 TRP 0.459 0.108 20 0 "[ . 1 . 2]"
2 21 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 22 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 74 ARG HA 1 76 MET ME 6.000 . 6.500 6.363 5.836 6.632 0.132 19 0 "[ . 1 . 2]" 3
2 1 76 MET ME 1 84 GLU QG 6.000 . 6.500 5.597 3.184 6.635 0.135 1 0 "[ . 1 . 2]" 3
3 1 76 MET ME 1 77 LYS QD 6.000 . 6.500 5.814 3.669 6.604 0.104 18 0 "[ . 1 . 2]" 3
4 1 71 MET HA 1 75 LYS H 6.000 . 6.500 4.037 3.305 4.513 . 0 0 "[ . 1 . 2]" 3
5 1 74 ARG HB3 1 75 LYS HA 6.000 . 6.500 4.283 3.961 4.387 . 0 0 "[ . 1 . 2]" 3
6 1 38 SER HB2 1 111 ASN HB3 6.000 . 6.500 4.423 2.227 6.517 0.017 9 0 "[ . 1 . 2]" 3
7 1 39 LEU HA 1 91 VAL MG1 6.000 . 6.500 3.398 2.661 4.554 . 0 0 "[ . 1 . 2]" 3
8 1 72 MET HB3 1 75 LYS H 6.000 . 6.500 5.709 5.445 6.235 . 0 0 "[ . 1 . 2]" 3
9 1 74 ARG QG 1 75 LYS H 6.000 . 6.500 3.719 3.445 4.146 . 0 0 "[ . 1 . 2]" 3
10 1 72 MET QB 1 76 MET QG 6.000 . 6.500 4.571 2.977 5.225 . 0 0 "[ . 1 . 2]" 3
11 1 18 LEU MD1 1 114 GLU QB 6.000 . 6.500 3.890 2.684 5.534 . 0 0 "[ . 1 . 2]" 3
12 1 18 LEU MD1 1 113 GLY H 6.000 . 6.500 4.500 3.421 5.873 . 0 0 "[ . 1 . 2]" 3
13 1 18 LEU MD1 1 112 LEU QB 6.000 . 6.500 2.940 2.078 4.036 . 0 0 "[ . 1 . 2]" 3
14 1 18 LEU MD2 1 112 LEU QB 6.000 . 6.500 2.975 2.162 4.330 . 0 0 "[ . 1 . 2]" 3
15 1 21 LYS QE 1 112 LEU HA 6.000 . 6.500 5.324 4.078 6.251 . 0 0 "[ . 1 . 2]" 3
16 1 21 LYS HG2 1 113 GLY HA3 6.000 . 6.500 6.419 6.113 6.563 0.063 9 0 "[ . 1 . 2]" 3
17 1 35 VAL HA 1 112 LEU HA 6.000 . 6.500 5.731 4.428 6.482 . 0 0 "[ . 1 . 2]" 3
18 1 35 VAL HA 1 112 LEU MD2 6.000 . 6.500 5.145 3.970 6.130 . 0 0 "[ . 1 . 2]" 3
19 1 38 SER QB 1 112 LEU MD2 6.000 . 6.500 5.353 4.251 6.250 . 0 0 "[ . 1 . 2]" 3
20 1 39 LEU MD2 1 91 VAL MG2 6.000 . 6.500 3.451 2.147 5.343 . 0 0 "[ . 1 . 2]" 3
21 1 72 MET HA 1 75 LYS QB 6.000 . 6.500 3.136 2.451 3.887 . 0 0 "[ . 1 . 2]" 3
22 1 12 PHE QE 1 76 MET QG 6.000 . 6.500 5.996 5.028 6.534 0.034 11 0 "[ . 1 . 2]" 3
23 1 12 PHE HZ 1 76 MET QG 6.000 . 6.500 5.734 4.351 6.576 0.076 6 0 "[ . 1 . 2]" 3
24 1 74 ARG HA 1 77 LYS H 6.000 . 6.500 4.144 3.807 4.476 . 0 0 "[ . 1 . 2]" 3
25 1 72 MET ME 1 76 MET ME 6.000 . 6.500 4.124 2.271 6.562 0.062 7 0 "[ . 1 . 2]" 3
26 1 72 MET QG 1 76 MET ME 6.000 . 6.500 3.567 1.870 5.675 . 0 0 "[ . 1 . 2]" 3
27 1 12 PHE HZ 1 76 MET ME 6.000 . 6.500 4.232 1.931 6.470 . 0 0 "[ . 1 . 2]" 3
28 1 124 MET ME 2 7 PHE QD 6.000 . 6.500 3.579 1.912 5.144 . 0 0 "[ . 1 . 2]" 3
29 1 144 MET ME 2 7 PHE QD 6.000 . 6.500 2.047 1.867 2.935 . 0 0 "[ . 1 . 2]" 3
30 1 144 MET ME 2 7 PHE QE 6.000 . 6.500 2.828 1.874 3.942 . 0 0 "[ . 1 . 2]" 3
31 1 144 MET ME 2 8 ARG HA 6.000 . 6.500 3.273 2.110 4.914 . 0 0 "[ . 1 . 2]" 3
32 1 144 MET ME 2 11 ALA MB 6.000 . 6.500 3.978 2.782 4.560 . 0 0 "[ . 1 . 2]" 3
33 1 124 MET ME 2 5 GLY QA 6.000 . 6.500 4.824 3.147 6.380 . 0 0 "[ . 1 . 2]" 3
34 1 39 LEU H 2 17 LEU MD1 6.000 . 6.500 5.217 4.682 5.953 . 0 0 "[ . 1 . 2]" 3
35 1 88 ALA H 2 15 GLY HA3 6.000 . 6.500 5.073 4.275 6.563 0.063 20 0 "[ . 1 . 2]" 3
36 1 85 ILE HG13 2 15 GLY HA2 6.000 . 6.500 6.611 6.521 6.685 0.185 2 0 "[ . 1 . 2]" 3
37 1 88 ALA HA 2 17 LEU MD1 6.000 . 6.500 5.872 5.085 6.108 . 0 0 "[ . 1 . 2]" 3
38 1 91 VAL HB 2 14 VAL MG2 6.000 . 6.500 4.201 2.333 5.261 . 0 0 "[ . 1 . 2]" 3
39 1 128 ALA MB 2 7 PHE HE1 6.000 . 6.500 4.464 3.636 5.621 . 0 0 "[ . 1 . 2]" 3
40 1 100 ILE MD 2 7 PHE HE1 6.000 . 6.500 4.625 4.056 5.206 . 0 0 "[ . 1 . 2]" 3
41 1 105 LEU MD1 2 7 PHE QD 6.000 . 6.500 3.566 2.366 5.318 . 0 0 "[ . 1 . 2]" 3
42 1 105 LEU MD1 2 7 PHE HE2 6.000 . 6.500 3.008 2.129 5.542 . 0 0 "[ . 1 . 2]" 3
43 1 105 LEU MD2 2 7 PHE HE2 6.000 . 6.500 3.694 2.917 6.461 . 0 0 "[ . 1 . 2]" 3
44 1 124 MET ME 2 7 PHE HA 6.000 . 6.500 3.709 1.912 5.031 . 0 0 "[ . 1 . 2]" 3
45 1 124 MET ME 2 7 PHE HB2 6.000 . 6.500 3.998 2.561 5.640 . 0 0 "[ . 1 . 2]" 3
46 1 124 MET HA 2 7 PHE HD2 6.000 . 6.500 3.782 3.140 5.464 . 0 0 "[ . 1 . 2]" 3
47 1 125 ILE HA 2 7 PHE HD2 6.000 . 6.500 5.432 4.513 6.443 . 0 0 "[ . 1 . 2]" 3
48 1 125 ILE MD 2 7 PHE HE2 6.000 . 6.500 5.623 3.909 6.545 0.045 3 0 "[ . 1 . 2]" 3
49 1 127 GLU H 2 7 PHE HD2 6.000 . 6.500 6.207 5.654 6.551 0.051 7 0 "[ . 1 . 2]" 3
50 1 128 ALA MB 2 7 PHE HD2 6.000 . 6.500 4.854 3.820 5.859 . 0 0 "[ . 1 . 2]" 3
51 1 128 ALA MB 2 7 PHE HE2 6.000 . 6.500 4.749 3.576 5.762 . 0 0 "[ . 1 . 2]" 3
52 1 136 VAL MG2 2 7 PHE HD2 6.000 . 6.500 5.260 4.197 5.881 . 0 0 "[ . 1 . 2]" 3
53 1 136 VAL MG2 2 7 PHE HZ 6.000 . 6.500 4.391 3.167 5.014 . 0 0 "[ . 1 . 2]" 3
54 1 144 MET ME 2 7 PHE HB3 3.300 . 3.800 2.787 1.844 3.941 0.141 15 0 "[ . 1 . 2]" 3
55 1 144 MET ME 2 7 PHE HB2 6.000 . 6.500 3.996 3.168 5.117 . 0 0 "[ . 1 . 2]" 3
56 1 144 MET ME 2 7 PHE HZ 6.000 . 6.500 4.385 3.187 5.478 . 0 0 "[ . 1 . 2]" 3
57 1 145 MET ME 2 7 PHE QB 6.000 . 6.500 6.260 4.748 6.588 0.088 18 0 "[ . 1 . 2]" 3
58 1 145 MET ME 2 7 PHE QD 6.000 . 6.500 4.728 3.247 5.324 . 0 0 "[ . 1 . 2]" 3
59 1 109 MET ME 2 10 ILE MD 6.000 . 6.500 2.768 1.752 5.366 0.048 7 0 "[ . 1 . 2]" 3
60 1 15 ALA MB 2 13 LEU MD1 6.000 . 6.500 2.494 1.880 3.785 . 0 0 "[ . 1 . 2]" 3
61 1 15 ALA MB 2 13 LEU HG 4.000 . 4.500 4.178 3.131 4.582 0.082 11 0 "[ . 1 . 2]" 3
62 1 88 ALA MB 2 14 VAL HB 6.000 . 6.500 2.688 2.302 4.185 . 0 0 "[ . 1 . 2]" 3
63 1 88 ALA MB 2 14 VAL MG1 6.000 . 6.500 2.330 1.762 2.987 0.038 2 0 "[ . 1 . 2]" 3
64 1 36 MET ME 2 21 ALA MB 6.000 . 6.500 2.760 1.880 5.161 . 0 0 "[ . 1 . 2]" 3
65 1 39 LEU MD1 2 17 LEU MD1 3.300 . 3.800 2.520 1.748 3.297 0.052 17 0 "[ . 1 . 2]" 3
66 1 39 LEU MD2 2 17 LEU MD2 6.000 . 6.500 3.446 1.832 4.783 . 0 0 "[ . 1 . 2]" 3
67 1 32 LEU MD1 2 20 TRP HD1 6.000 . 6.500 5.342 3.136 6.553 0.053 20 0 "[ . 1 . 2]" 3
68 1 36 MET ME 2 20 TRP HB3 6.000 . 6.500 3.465 1.961 5.150 . 0 0 "[ . 1 . 2]" 3
69 1 36 MET ME 2 20 TRP HB2 6.000 . 6.500 4.849 3.013 6.542 0.042 17 0 "[ . 1 . 2]" 3
70 1 52 ILE MD 2 20 TRP HZ2 3.300 . 3.800 3.500 2.918 3.908 0.108 20 0 "[ . 1 . 2]" 3
71 1 55 VAL MG2 2 20 TRP HH2 6.000 . 6.500 5.368 4.388 6.170 . 0 0 "[ . 1 . 2]" 3
72 1 55 VAL MG2 2 20 TRP HZ2 6.000 . 6.500 4.891 3.167 5.714 . 0 0 "[ . 1 . 2]" 3
73 1 63 ILE MD 2 20 TRP HH2 3.300 . 3.800 2.115 1.830 2.885 . 0 0 "[ . 1 . 2]" 3
74 1 63 ILE MD 2 20 TRP HZ2 3.300 . 3.800 2.336 1.894 2.859 . 0 0 "[ . 1 . 2]" 3
75 1 71 MET ME 2 20 TRP HE3 6.000 . 6.500 3.345 2.187 4.316 . 0 0 "[ . 1 . 2]" 3
76 1 71 MET ME 2 20 TRP HZ3 6.000 . 6.500 2.990 1.904 4.727 . 0 0 "[ . 1 . 2]" 3
77 1 36 MET ME 2 21 ALA HA 6.000 . 6.500 2.991 1.949 5.106 . 0 0 "[ . 1 . 2]" 3
78 2 7 PHE HA 2 10 ILE H 4.000 . 4.500 3.662 3.255 3.881 . 0 0 "[ . 1 . 2]" 3
79 2 8 ARG HA 2 11 ALA H 4.000 . 4.500 3.528 3.370 3.720 . 0 0 "[ . 1 . 2]" 3
80 2 9 ARG HA 2 12 ARG H 4.000 . 4.500 3.764 3.424 4.013 . 0 0 "[ . 1 . 2]" 3
81 2 10 ILE HA 2 13 LEU H 4.000 . 4.500 3.613 3.382 3.879 . 0 0 "[ . 1 . 2]" 3
82 2 11 ALA HA 2 14 VAL H 4.000 . 4.500 3.588 3.373 3.877 . 0 0 "[ . 1 . 2]" 3
83 2 12 ARG HA 2 15 GLY H 4.000 . 4.500 3.613 3.440 3.827 . 0 0 "[ . 1 . 2]" 3
84 2 13 LEU HA 2 16 VAL H 4.000 . 4.500 3.694 3.438 3.964 . 0 0 "[ . 1 . 2]" 3
85 2 14 VAL HA 2 17 LEU H 4.000 . 4.500 3.279 3.028 3.490 . 0 0 "[ . 1 . 2]" 3
86 2 15 GLY QA 2 18 ARG H 4.000 . 4.500 3.986 3.508 4.356 . 0 0 "[ . 1 . 2]" 3
87 2 16 VAL HA 2 19 GLU H 4.000 . 4.500 3.480 3.190 3.828 . 0 0 "[ . 1 . 2]" 3
88 2 17 LEU HA 2 20 TRP H 4.000 . 4.500 3.737 3.485 4.070 . 0 0 "[ . 1 . 2]" 3
89 2 18 ARG HA 2 21 ALA H 4.000 . 4.500 3.560 3.379 3.764 . 0 0 "[ . 1 . 2]" 3
90 2 19 GLU HA 2 22 TYR H 4.000 . 4.500 3.600 3.256 3.939 . 0 0 "[ . 1 . 2]" 3
91 1 88 ALA H 2 14 VAL MG1 6.000 . 6.500 3.614 2.384 4.136 . 0 0 "[ . 1 . 2]" 3
92 1 88 ALA H 2 14 VAL MG2 6.000 . 6.500 5.661 3.961 6.306 . 0 0 "[ . 1 . 2]" 3
93 1 12 PHE HE1 2 16 VAL MG1 6.000 . 6.500 5.396 4.095 6.553 0.053 17 0 "[ . 1 . 2]" 3
94 1 124 MET HB3 2 10 ILE MD 6.000 . 6.500 5.506 3.983 6.582 0.082 2 0 "[ . 1 . 2]" 3
95 1 85 ILE HA 2 14 VAL MG1 6.000 . 6.500 5.691 4.822 6.162 . 0 0 "[ . 1 . 2]" 3
96 1 84 GLU H 2 15 GLY HA2 6.000 . 6.500 5.485 4.617 6.190 . 0 0 "[ . 1 . 2]" 3
97 1 145 MET ME 2 7 PHE HE1 6.000 . 6.500 4.458 2.232 6.002 . 0 0 "[ . 1 . 2]" 3
98 1 72 MET HG3 2 16 VAL MG1 6.000 . 6.500 4.031 2.384 5.342 . 0 0 "[ . 1 . 2]" 3
99 1 109 MET ME 2 10 ILE MG 6.000 . 6.500 3.661 2.030 5.776 . 0 0 "[ . 1 . 2]" 3
100 1 76 MET ME 2 12 ARG HA 6.000 . 6.500 6.364 5.505 6.580 0.080 4 0 "[ . 1 . 2]" 3
101 1 76 MET ME 2 16 VAL MG2 6.000 . 6.500 3.889 1.863 6.545 0.045 7 0 "[ . 1 . 2]" 3
102 1 92 PHE QD 2 14 VAL MG1 6.000 . 6.500 3.442 2.557 4.792 . 0 0 "[ . 1 . 2]" 3
103 1 92 PHE HZ 2 11 ALA HA 6.000 . 6.500 5.120 4.179 5.825 . 0 0 "[ . 1 . 2]" 3
104 1 92 PHE HZ 2 10 ILE MG 6.000 . 6.500 2.729 1.860 5.217 . 0 0 "[ . 1 . 2]" 3
105 1 76 MET HA 2 16 VAL MG2 6.000 . 6.500 5.243 3.926 6.212 . 0 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 28
_Distance_constraint_stats_list.Viol_count 32
_Distance_constraint_stats_list.Viol_total 30.386
_Distance_constraint_stats_list.Viol_max 0.143
_Distance_constraint_stats_list.Viol_rms 0.0136
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0027
_Distance_constraint_stats_list.Viol_average_violations_only 0.0475
_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 27 ILE 0.757 0.143 11 0 "[ . 1 . 2]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 VAL 0.022 0.012 13 0 "[ . 1 . 2]"
1 63 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 ILE 0.314 0.080 20 0 "[ . 1 . 2]"
1 105 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 MET 0.043 0.043 5 0 "[ . 1 . 2]"
1 128 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 136 VAL 0.382 0.091 1 0 "[ . 1 . 2]"
2 7 PHE 0.740 0.091 1 0 "[ . 1 . 2]"
2 20 TRP 0.780 0.143 11 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 100 ILE MD 2 7 PHE HE2 6.000 . 6.500 4.079 3.241 4.969 . 0 0 "[ . 1 . 2]" 4
2 1 100 ILE MD 2 7 PHE HZ 2.700 . 3.200 3.062 2.679 3.280 0.080 20 0 "[ . 1 . 2]" 4
3 1 100 ILE MG 2 7 PHE HZ 6.000 . 6.500 4.493 3.647 5.237 . 0 0 "[ . 1 . 2]" 4
4 1 105 LEU MD1 2 7 PHE HD2 6.000 . 6.500 3.737 3.006 5.424 . 0 0 "[ . 1 . 2]" 4
5 1 105 LEU MD2 2 7 PHE HD2 6.000 . 6.500 4.549 3.642 6.275 . 0 0 "[ . 1 . 2]" 4
6 1 105 LEU MD1 2 7 PHE HZ 6.000 . 6.500 4.663 3.199 5.355 . 0 0 "[ . 1 . 2]" 4
7 1 105 LEU MD2 2 7 PHE HZ 6.000 . 6.500 4.886 3.081 5.867 . 0 0 "[ . 1 . 2]" 4
8 1 124 MET ME 2 7 PHE HD2 6.000 . 6.500 3.738 1.913 6.543 0.043 5 0 "[ . 1 . 2]" 4
9 1 128 ALA MB 2 7 PHE HZ 6.000 . 6.500 4.591 3.970 5.295 . 0 0 "[ . 1 . 2]" 4
10 1 136 VAL HB 2 7 PHE HE2 6.000 . 6.500 5.642 4.120 6.354 . 0 0 "[ . 1 . 2]" 4
11 1 136 VAL MG1 2 7 PHE HE2 6.000 . 6.500 4.821 3.615 5.509 . 0 0 "[ . 1 . 2]" 4
12 1 136 VAL MG2 2 7 PHE HE2 4.000 . 4.500 4.254 3.130 4.591 0.091 1 0 "[ . 1 . 2]" 4
13 1 136 VAL HB 2 7 PHE HZ 6.000 . 6.500 5.076 3.972 5.745 . 0 0 "[ . 1 . 2]" 4
14 1 136 VAL MG1 2 7 PHE HZ 6.000 . 6.500 3.896 2.851 4.665 . 0 0 "[ . 1 . 2]" 4
15 1 27 ILE HG13 2 20 TRP HH2 6.000 . 6.500 6.326 4.585 6.643 0.143 11 0 "[ . 1 . 2]" 4
16 1 27 ILE MG 2 20 TRP HZ3 6.000 . 6.500 5.171 4.097 5.815 . 0 0 "[ . 1 . 2]" 4
17 1 32 LEU MD1 2 20 TRP HE3 6.000 . 6.500 4.177 3.258 4.956 . 0 0 "[ . 1 . 2]" 4
18 1 32 LEU MD1 2 20 TRP HH2 6.000 . 6.500 4.035 2.393 5.357 . 0 0 "[ . 1 . 2]" 4
19 1 32 LEU MD2 2 20 TRP HH2 6.000 . 6.500 3.680 2.648 5.239 . 0 0 "[ . 1 . 2]" 4
20 1 32 LEU MD1 2 20 TRP HZ2 6.000 . 6.500 4.179 2.521 5.172 . 0 0 "[ . 1 . 2]" 4
21 1 32 LEU MD2 2 20 TRP HZ2 6.000 . 6.500 3.101 2.437 5.308 . 0 0 "[ . 1 . 2]" 4
22 1 32 LEU MD2 2 20 TRP HZ3 6.000 . 6.500 4.262 3.301 5.896 . 0 0 "[ . 1 . 2]" 4
23 1 52 ILE HA 2 20 TRP HZ2 6.000 . 6.500 4.715 3.432 5.446 . 0 0 "[ . 1 . 2]" 4
24 1 55 VAL HB 2 20 TRP HZ2 6.000 . 6.500 5.715 4.247 6.512 0.012 13 0 "[ . 1 . 2]" 4
25 1 55 VAL MG1 2 20 TRP HZ2 6.000 . 6.500 5.349 3.829 6.478 . 0 0 "[ . 1 . 2]" 4
26 1 63 ILE MG 2 20 TRP HZ2 6.000 . 6.500 4.681 3.871 5.432 . 0 0 "[ . 1 . 2]" 4
27 1 63 ILE MD 2 20 TRP HZ3 6.000 . 6.500 3.949 3.216 4.967 . 0 0 "[ . 1 . 2]" 4
28 1 71 MET ME 2 20 TRP HH2 6.000 . 6.500 3.529 2.485 4.575 . 0 0 "[ . 1 . 2]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 52
_Distance_constraint_stats_list.Viol_count 171
_Distance_constraint_stats_list.Viol_total 178.965
_Distance_constraint_stats_list.Viol_max 0.147
_Distance_constraint_stats_list.Viol_rms 0.0249
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0086
_Distance_constraint_stats_list.Viol_average_violations_only 0.0523
_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 6 GLU 0.142 0.061 15 0 "[ . 1 . 2]"
1 7 GLU 0.210 0.055 20 0 "[ . 1 . 2]"
1 8 GLN 0.041 0.041 16 0 "[ . 1 . 2]"
1 9 ILE 0.190 0.057 15 0 "[ . 1 . 2]"
1 10 ALA 0.605 0.109 6 0 "[ . 1 . 2]"
1 11 GLU 0.210 0.055 20 0 "[ . 1 . 2]"
1 12 PHE 0.931 0.134 2 0 "[ . 1 . 2]"
1 13 LYS 0.192 0.057 15 0 "[ . 1 . 2]"
1 14 GLU 0.463 0.109 6 0 "[ . 1 . 2]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 PHE 0.890 0.134 2 0 "[ . 1 . 2]"
1 17 SER 0.002 0.002 7 0 "[ . 1 . 2]"
1 29 THR 1.694 0.112 9 0 "[ . 1 . 2]"
1 30 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLU 0.346 0.097 2 0 "[ . 1 . 2]"
1 32 LEU 0.928 0.147 2 0 "[ . 1 . 2]"
1 33 GLY 2.214 0.112 9 0 "[ . 1 . 2]"
1 34 THR 0.274 0.087 20 0 "[ . 1 . 2]"
1 35 VAL 0.346 0.097 2 0 "[ . 1 . 2]"
1 36 MET 0.928 0.147 2 0 "[ . 1 . 2]"
1 37 ARG 0.520 0.070 20 0 "[ . 1 . 2]"
1 38 SER 0.274 0.087 20 0 "[ . 1 . 2]"
1 45 GLU 0.016 0.016 11 0 "[ . 1 . 2]"
1 46 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLU 0.162 0.083 5 0 "[ . 1 . 2]"
1 48 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLN 2.200 0.146 8 0 "[ . 1 . 2]"
1 50 ASP 0.037 0.026 15 0 "[ . 1 . 2]"
1 51 MET 0.162 0.083 5 0 "[ . 1 . 2]"
1 52 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ASN 2.184 0.146 8 0 "[ . 1 . 2]"
1 54 GLU 0.037 0.026 15 0 "[ . 1 . 2]"
1 65 PHE 0.260 0.052 5 0 "[ . 1 . 2]"
1 66 PRO 0.009 0.009 14 0 "[ . 1 . 2]"
1 67 GLU 0.148 0.043 6 0 "[ . 1 . 2]"
1 68 PHE 0.125 0.050 4 0 "[ . 1 . 2]"
1 69 LEU 0.488 0.076 7 0 "[ . 1 . 2]"
1 70 THR 0.088 0.049 20 0 "[ . 1 . 2]"
1 71 MET 0.148 0.043 6 0 "[ . 1 . 2]"
1 72 MET 0.125 0.050 4 0 "[ . 1 . 2]"
1 73 ALA 0.228 0.076 7 0 "[ . 1 . 2]"
1 74 ARG 0.079 0.049 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 GLU O 1 10 ALA H 2.800 2.300 3.300 2.842 2.272 3.221 0.028 10 0 "[ . 1 . 2]" 5
2 1 6 GLU O 1 10 ALA N 3.400 2.900 4.000 3.672 3.062 4.061 0.061 15 0 "[ . 1 . 2]" 5
3 1 7 GLU O 1 11 GLU H 2.800 2.300 3.300 3.076 2.643 3.231 . 0 0 "[ . 1 . 2]" 5
4 1 7 GLU O 1 11 GLU N 3.400 2.900 4.000 3.940 3.509 4.055 0.055 20 0 "[ . 1 . 2]" 5
5 1 8 GLN O 1 12 PHE H 2.800 2.300 3.300 2.599 2.259 2.823 0.041 16 0 "[ . 1 . 2]" 5
6 1 8 GLN O 1 12 PHE N 3.400 2.900 4.000 3.515 3.112 3.714 . 0 0 "[ . 1 . 2]" 5
7 1 9 ILE O 1 13 LYS H 2.800 2.300 3.300 2.561 2.243 2.911 0.057 15 0 "[ . 1 . 2]" 5
8 1 9 ILE O 1 13 LYS N 3.400 2.900 4.000 3.303 3.013 3.674 . 0 0 "[ . 1 . 2]" 5
9 1 10 ALA O 1 14 GLU H 2.800 2.300 3.300 2.500 2.191 2.905 0.109 6 0 "[ . 1 . 2]" 5
10 1 10 ALA O 1 14 GLU N 3.400 2.900 4.000 3.412 3.074 3.800 . 0 0 "[ . 1 . 2]" 5
11 1 11 GLU O 1 15 ALA H 2.800 2.300 3.300 2.553 2.314 2.849 . 0 0 "[ . 1 . 2]" 5
12 1 11 GLU O 1 15 ALA N 3.400 2.900 4.000 3.464 3.151 3.795 . 0 0 "[ . 1 . 2]" 5
13 1 12 PHE O 1 16 PHE H 2.800 2.300 3.300 2.274 2.166 2.531 0.134 2 0 "[ . 1 . 2]" 5
14 1 12 PHE O 1 16 PHE N 3.400 2.900 4.000 3.114 3.007 3.320 . 0 0 "[ . 1 . 2]" 5
15 1 13 LYS O 1 17 SER H 2.800 2.300 3.300 2.843 2.394 3.092 . 0 0 "[ . 1 . 2]" 5
16 1 13 LYS O 1 17 SER N 3.400 2.900 4.000 3.769 3.359 4.002 0.002 7 0 "[ . 1 . 2]" 5
17 1 29 THR O 1 33 GLY H 2.800 2.300 3.300 2.215 2.188 2.283 0.112 9 0 "[ . 1 . 2]" 5
18 1 29 THR O 1 33 GLY N 3.400 2.900 4.000 3.088 3.022 3.184 . 0 0 "[ . 1 . 2]" 5
19 1 30 LYS O 1 34 THR H 2.800 2.300 3.300 2.928 2.689 3.065 . 0 0 "[ . 1 . 2]" 5
20 1 30 LYS O 1 34 THR N 3.400 2.900 4.000 3.703 3.495 3.842 . 0 0 "[ . 1 . 2]" 5
21 1 31 GLU O 1 35 VAL H 2.800 2.300 3.300 3.029 2.594 3.209 . 0 0 "[ . 1 . 2]" 5
22 1 31 GLU O 1 35 VAL N 3.400 2.900 4.000 3.921 3.523 4.097 0.097 2 0 "[ . 1 . 2]" 5
23 1 32 LEU O 1 36 MET H 2.800 2.300 3.300 2.272 2.153 2.426 0.147 2 0 "[ . 1 . 2]" 5
24 1 32 LEU O 1 36 MET N 3.400 2.900 4.000 3.211 3.090 3.373 . 0 0 "[ . 1 . 2]" 5
25 1 33 GLY O 1 37 ARG H 2.800 2.300 3.300 2.296 2.230 2.642 0.070 20 0 "[ . 1 . 2]" 5
26 1 33 GLY O 1 37 ARG N 3.400 2.900 4.000 3.110 3.002 3.271 . 0 0 "[ . 1 . 2]" 5
27 1 34 THR O 1 38 SER H 2.800 2.300 3.300 2.387 2.213 2.781 0.087 20 0 "[ . 1 . 2]" 5
28 1 34 THR O 1 38 SER N 3.400 2.900 4.000 3.305 3.161 3.612 . 0 0 "[ . 1 . 2]" 5
29 1 45 GLU O 1 49 GLN H 2.800 2.300 3.300 2.433 2.284 2.602 0.016 11 0 "[ . 1 . 2]" 5
30 1 45 GLU O 1 49 GLN N 3.400 2.900 4.000 3.239 3.057 3.444 . 0 0 "[ . 1 . 2]" 5
31 1 46 ALA O 1 50 ASP H 2.800 2.300 3.300 2.683 2.465 2.827 . 0 0 "[ . 1 . 2]" 5
32 1 46 ALA O 1 50 ASP N 3.400 2.900 4.000 3.540 3.343 3.658 . 0 0 "[ . 1 . 2]" 5
33 1 47 GLU O 1 51 MET H 2.800 2.300 3.300 2.359 2.217 2.496 0.083 5 0 "[ . 1 . 2]" 5
34 1 47 GLU O 1 51 MET N 3.400 2.900 4.000 3.304 3.174 3.428 . 0 0 "[ . 1 . 2]" 5
35 1 48 LEU O 1 52 ILE H 2.800 2.300 3.300 2.425 2.313 2.596 . 0 0 "[ . 1 . 2]" 5
36 1 48 LEU O 1 52 ILE N 3.400 2.900 4.000 3.371 3.270 3.542 . 0 0 "[ . 1 . 2]" 5
37 1 49 GLN O 1 53 ASN H 2.800 2.300 3.300 2.191 2.154 2.230 0.146 8 0 "[ . 1 . 2]" 5
38 1 49 GLN O 1 53 ASN N 3.400 2.900 4.000 3.059 2.959 3.117 . 0 0 "[ . 1 . 2]" 5
39 1 50 ASP O 1 54 GLU H 2.800 2.300 3.300 2.411 2.274 2.651 0.026 15 0 "[ . 1 . 2]" 5
40 1 50 ASP O 1 54 GLU N 3.400 2.900 4.000 3.325 3.184 3.547 . 0 0 "[ . 1 . 2]" 5
41 1 65 PHE O 1 69 LEU H 2.800 2.300 3.300 2.330 2.248 2.534 0.052 5 0 "[ . 1 . 2]" 5
42 1 65 PHE O 1 69 LEU N 3.400 2.900 4.000 3.275 3.190 3.454 . 0 0 "[ . 1 . 2]" 5
43 1 66 PRO O 1 70 THR H 2.800 2.300 3.300 2.452 2.291 2.531 0.009 14 0 "[ . 1 . 2]" 5
44 1 66 PRO O 1 70 THR N 3.400 2.900 4.000 3.385 3.219 3.459 . 0 0 "[ . 1 . 2]" 5
45 1 67 GLU O 1 71 MET H 2.800 2.300 3.300 2.393 2.257 2.588 0.043 6 0 "[ . 1 . 2]" 5
46 1 67 GLU O 1 71 MET N 3.400 2.900 4.000 3.333 3.153 3.532 . 0 0 "[ . 1 . 2]" 5
47 1 68 PHE O 1 72 MET H 2.800 2.300 3.300 2.343 2.250 2.477 0.050 4 0 "[ . 1 . 2]" 5
48 1 68 PHE O 1 72 MET N 3.400 2.900 4.000 3.290 3.190 3.412 . 0 0 "[ . 1 . 2]" 5
49 1 69 LEU O 1 73 ALA H 2.800 2.300 3.300 2.334 2.224 2.550 0.076 7 0 "[ . 1 . 2]" 5
50 1 69 LEU O 1 73 ALA N 3.400 2.900 4.000 3.300 3.150 3.523 . 0 0 "[ . 1 . 2]" 5
51 1 70 THR O 1 74 ARG H 2.800 2.300 3.300 2.377 2.251 2.614 0.049 20 0 "[ . 1 . 2]" 5
52 1 70 THR O 1 74 ARG N 3.400 2.900 4.000 3.233 3.106 3.439 . 0 0 "[ . 1 . 2]" 5
stop_
save_
save_distance_constraint_statistics_6
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 6
_Distance_constraint_stats_list.Constraint_count 44
_Distance_constraint_stats_list.Viol_count 216
_Distance_constraint_stats_list.Viol_total 264.597
_Distance_constraint_stats_list.Viol_max 0.202
_Distance_constraint_stats_list.Viol_rms 0.0348
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0150
_Distance_constraint_stats_list.Viol_average_violations_only 0.0612
_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 82 GLU 0.229 0.059 9 0 "[ . 1 . 2]"
1 83 GLU 0.074 0.032 9 0 "[ . 1 . 2]"
1 84 GLU 1.737 0.167 19 0 "[ . 1 . 2]"
1 85 ILE 2.817 0.202 8 0 "[ . 1 . 2]"
1 86 ARG 0.232 0.059 9 0 "[ . 1 . 2]"
1 87 GLU 0.389 0.063 16 0 "[ . 1 . 2]"
1 88 ALA 1.737 0.167 19 0 "[ . 1 . 2]"
1 89 PHE 2.817 0.202 8 0 "[ . 1 . 2]"
1 90 ARG 0.003 0.003 1 0 "[ . 1 . 2]"
1 91 VAL 0.314 0.063 16 0 "[ . 1 . 2]"
1 102 ALA 0.573 0.097 9 0 "[ . 1 . 2]"
1 103 ALA 0.209 0.054 13 0 "[ . 1 . 2]"
1 104 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 LEU 0.258 0.069 7 0 "[ . 1 . 2]"
1 106 ARG 2.565 0.135 20 0 "[ . 1 . 2]"
1 107 HIS 0.898 0.073 16 0 "[ . 1 . 2]"
1 108 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 MET 0.258 0.069 7 0 "[ . 1 . 2]"
1 110 THR 1.993 0.135 20 0 "[ . 1 . 2]"
1 111 ASN 0.689 0.073 16 0 "[ . 1 . 2]"
1 118 ASP 2.133 0.170 15 0 "[ . 1 . 2]"
1 119 GLU 0.520 0.088 4 0 "[ . 1 . 2]"
1 120 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 ASP 2.422 0.170 15 0 "[ . 1 . 2]"
1 123 GLU 0.693 0.088 4 0 "[ . 1 . 2]"
1 124 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 ARG 0.289 0.088 15 0 "[ . 1 . 2]"
1 127 GLU 0.173 0.033 4 0 "[ . 1 . 2]"
1 138 TYR 0.238 0.047 9 0 "[ . 1 . 2]"
1 139 GLU 0.334 0.059 2 0 "[ . 1 . 2]"
1 140 GLU 0.646 0.103 5 0 "[ . 1 . 2]"
1 141 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 142 VAL 0.238 0.047 9 0 "[ . 1 . 2]"
1 143 GLN 0.334 0.059 2 0 "[ . 1 . 2]"
1 144 MET 0.646 0.103 5 0 "[ . 1 . 2]"
1 145 MET 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 82 GLU O 1 86 ARG H 2.800 2.300 3.300 2.345 2.241 2.497 0.059 9 0 "[ . 1 . 2]" 6
2 1 82 GLU O 1 86 ARG N 3.400 2.900 4.000 3.310 3.208 3.468 . 0 0 "[ . 1 . 2]" 6
3 1 83 GLU O 1 87 GLU H 2.800 2.300 3.300 2.363 2.268 2.536 0.032 9 0 "[ . 1 . 2]" 6
4 1 83 GLU O 1 87 GLU N 3.400 2.900 4.000 3.305 3.208 3.459 . 0 0 "[ . 1 . 2]" 6
5 1 84 GLU O 1 88 ALA H 2.800 2.300 3.300 2.213 2.133 2.270 0.167 19 0 "[ . 1 . 2]" 6
6 1 84 GLU O 1 88 ALA N 3.400 2.900 4.000 3.139 3.031 3.208 . 0 0 "[ . 1 . 2]" 6
7 1 85 ILE O 1 89 PHE H 2.800 2.300 3.300 2.159 2.098 2.213 0.202 8 0 "[ . 1 . 2]" 6
8 1 85 ILE O 1 89 PHE N 3.400 2.900 4.000 3.130 3.060 3.183 . 0 0 "[ . 1 . 2]" 6
9 1 86 ARG O 1 90 ARG H 2.800 2.300 3.300 2.377 2.297 2.493 0.003 1 0 "[ . 1 . 2]" 6
10 1 86 ARG O 1 90 ARG N 3.400 2.900 4.000 3.304 3.220 3.412 . 0 0 "[ . 1 . 2]" 6
11 1 87 GLU O 1 91 VAL H 2.800 2.300 3.300 2.303 2.237 2.397 0.063 16 0 "[ . 1 . 2]" 6
12 1 87 GLU O 1 91 VAL N 3.400 2.900 4.000 3.166 3.109 3.219 . 0 0 "[ . 1 . 2]" 6
13 1 102 ALA O 1 106 ARG H 2.800 2.300 3.300 2.308 2.203 2.513 0.097 9 0 "[ . 1 . 2]" 6
14 1 102 ALA O 1 106 ARG N 3.400 2.900 4.000 3.258 3.122 3.433 . 0 0 "[ . 1 . 2]" 6
15 1 103 ALA O 1 107 HIS H 2.800 2.300 3.300 2.378 2.246 2.870 0.054 13 0 "[ . 1 . 2]" 6
16 1 103 ALA O 1 107 HIS N 3.400 2.900 4.000 3.240 3.063 3.712 . 0 0 "[ . 1 . 2]" 6
17 1 104 GLU O 1 108 VAL H 2.800 2.300 3.300 2.753 2.577 2.954 . 0 0 "[ . 1 . 2]" 6
18 1 104 GLU O 1 108 VAL N 3.400 2.900 4.000 3.683 3.523 3.887 . 0 0 "[ . 1 . 2]" 6
19 1 105 LEU O 1 109 MET H 2.800 2.300 3.300 2.323 2.231 2.459 0.069 7 0 "[ . 1 . 2]" 6
20 1 105 LEU O 1 109 MET N 3.400 2.900 4.000 3.280 3.186 3.433 . 0 0 "[ . 1 . 2]" 6
21 1 106 ARG O 1 110 THR H 2.800 2.300 3.300 2.200 2.165 2.258 0.135 20 0 "[ . 1 . 2]" 6
22 1 106 ARG O 1 110 THR N 3.400 2.900 4.000 3.149 3.086 3.235 . 0 0 "[ . 1 . 2]" 6
23 1 107 HIS O 1 111 ASN H 2.800 2.300 3.300 2.266 2.227 2.298 0.073 16 0 "[ . 1 . 2]" 6
24 1 107 HIS O 1 111 ASN N 3.400 2.900 4.000 3.175 3.112 3.235 . 0 0 "[ . 1 . 2]" 6
25 1 118 ASP O 1 122 ASP H 2.800 2.300 3.300 2.193 2.130 2.247 0.170 15 0 "[ . 1 . 2]" 6
26 1 118 ASP O 1 122 ASP N 3.400 2.900 4.000 3.096 3.010 3.156 . 0 0 "[ . 1 . 2]" 6
27 1 119 GLU O 1 123 GLU H 2.800 2.300 3.300 2.282 2.212 2.375 0.088 4 0 "[ . 1 . 2]" 6
28 1 119 GLU O 1 123 GLU N 3.400 2.900 4.000 3.229 3.164 3.335 . 0 0 "[ . 1 . 2]" 6
29 1 120 GLU O 1 124 MET H 2.800 2.300 3.300 2.506 2.376 2.753 . 0 0 "[ . 1 . 2]" 6
30 1 120 GLU O 1 124 MET N 3.400 2.900 4.000 3.457 3.346 3.669 . 0 0 "[ . 1 . 2]" 6
31 1 121 VAL O 1 125 ILE H 2.800 2.300 3.300 2.498 2.340 2.765 . 0 0 "[ . 1 . 2]" 6
32 1 121 VAL O 1 125 ILE N 3.400 2.900 4.000 3.386 3.258 3.633 . 0 0 "[ . 1 . 2]" 6
33 1 122 ASP O 1 126 ARG H 2.800 2.300 3.300 2.311 2.212 2.404 0.088 15 0 "[ . 1 . 2]" 6
34 1 122 ASP O 1 126 ARG N 3.400 2.900 4.000 3.199 3.100 3.289 . 0 0 "[ . 1 . 2]" 6
35 1 123 GLU O 1 127 GLU H 2.800 2.300 3.300 2.338 2.267 2.616 0.033 4 0 "[ . 1 . 2]" 6
36 1 123 GLU O 1 127 GLU N 3.400 2.900 4.000 3.234 3.159 3.452 . 0 0 "[ . 1 . 2]" 6
37 1 138 TYR O 1 142 VAL H 2.800 2.300 3.300 2.328 2.253 2.666 0.047 9 0 "[ . 1 . 2]" 6
38 1 138 TYR O 1 142 VAL N 3.400 2.900 4.000 3.264 3.184 3.569 . 0 0 "[ . 1 . 2]" 6
39 1 139 GLU O 1 143 GLN H 2.800 2.300 3.300 2.317 2.241 2.671 0.059 2 0 "[ . 1 . 2]" 6
40 1 139 GLU O 1 143 GLN N 3.400 2.900 4.000 3.270 3.196 3.600 . 0 0 "[ . 1 . 2]" 6
41 1 140 GLU O 1 144 MET H 2.800 2.300 3.300 2.283 2.197 2.428 0.103 5 0 "[ . 1 . 2]" 6
42 1 140 GLU O 1 144 MET N 3.400 2.900 4.000 3.244 3.143 3.391 . 0 0 "[ . 1 . 2]" 6
43 1 141 PHE O 1 145 MET H 2.800 2.300 3.300 2.565 2.351 2.822 . 0 0 "[ . 1 . 2]" 6
44 1 141 PHE O 1 145 MET N 3.400 2.900 4.000 3.461 3.242 3.672 . 0 0 "[ . 1 . 2]" 6
stop_
save_
save_distance_constraint_statistics_7
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 7
_Distance_constraint_stats_list.Constraint_count 26
_Distance_constraint_stats_list.Viol_count 70
_Distance_constraint_stats_list.Viol_total 47.365
_Distance_constraint_stats_list.Viol_max 0.120
_Distance_constraint_stats_list.Viol_rms 0.0145
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0046
_Distance_constraint_stats_list.Viol_average_violations_only 0.0338
_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
2 6 GLY 0.027 0.022 19 0 "[ . 1 . 2]"
2 7 PHE 0.421 0.081 13 0 "[ . 1 . 2]"
2 8 ARG 0.289 0.052 4 0 "[ . 1 . 2]"
2 9 ARG 0.019 0.019 13 0 "[ . 1 . 2]"
2 10 ILE 0.142 0.024 10 0 "[ . 1 . 2]"
2 11 ALA 0.708 0.081 13 0 "[ . 1 . 2]"
2 12 ARG 0.301 0.052 4 0 "[ . 1 . 2]"
2 13 LEU 0.165 0.070 6 0 "[ . 1 . 2]"
2 14 VAL 0.132 0.024 10 0 "[ . 1 . 2]"
2 15 GLY 0.473 0.059 3 0 "[ . 1 . 2]"
2 16 VAL 0.690 0.120 6 0 "[ . 1 . 2]"
2 17 LEU 0.170 0.070 6 0 "[ . 1 . 2]"
2 18 ARG 0.164 0.046 12 0 "[ . 1 . 2]"
2 19 GLU 0.186 0.059 3 0 "[ . 1 . 2]"
2 20 TRP 0.678 0.120 6 0 "[ . 1 . 2]"
2 21 ALA 0.023 0.023 20 0 "[ . 1 . 2]"
2 22 TYR 0.148 0.046 12 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 6 GLY O 2 10 ILE H 2.800 2.300 3.300 2.474 2.278 2.730 0.022 19 0 "[ . 1 . 2]" 7
2 2 6 GLY O 2 10 ILE N 3.400 2.900 4.000 3.401 3.190 3.634 . 0 0 "[ . 1 . 2]" 7
3 2 7 PHE O 2 11 ALA H 2.800 2.300 3.300 2.308 2.219 2.444 0.081 13 0 "[ . 1 . 2]" 7
4 2 7 PHE O 2 11 ALA N 3.400 2.900 4.000 3.227 3.046 3.368 . 0 0 "[ . 1 . 2]" 7
5 2 8 ARG O 2 12 ARG H 2.800 2.300 3.300 2.341 2.248 2.637 0.052 4 0 "[ . 1 . 2]" 7
6 2 8 ARG O 2 12 ARG N 3.400 2.900 4.000 3.263 3.116 3.488 . 0 0 "[ . 1 . 2]" 7
7 2 9 ARG O 2 13 LEU H 2.800 2.300 3.300 2.643 2.337 3.131 . 0 0 "[ . 1 . 2]" 7
8 2 9 ARG O 2 13 LEU N 3.400 2.900 4.000 3.564 3.262 4.019 0.019 13 0 "[ . 1 . 2]" 7
9 2 10 ILE O 2 14 VAL H 2.800 2.300 3.300 2.423 2.276 2.907 0.024 10 0 "[ . 1 . 2]" 7
10 2 10 ILE O 2 14 VAL N 3.400 2.900 4.000 3.353 3.168 3.811 . 0 0 "[ . 1 . 2]" 7
11 2 11 ALA O 2 15 GLY H 2.800 2.300 3.300 2.314 2.252 2.585 0.048 5 0 "[ . 1 . 2]" 7
12 2 11 ALA O 2 15 GLY N 3.400 2.900 4.000 3.240 3.150 3.503 . 0 0 "[ . 1 . 2]" 7
13 2 12 ARG O 2 16 VAL H 2.800 2.300 3.300 2.572 2.288 2.979 0.012 12 0 "[ . 1 . 2]" 7
14 2 12 ARG O 2 16 VAL N 3.400 2.900 4.000 3.475 3.209 3.855 . 0 0 "[ . 1 . 2]" 7
15 2 13 LEU O 2 17 LEU H 2.800 2.300 3.300 2.483 2.230 2.859 0.070 6 0 "[ . 1 . 2]" 7
16 2 13 LEU O 2 17 LEU N 3.400 2.900 4.000 3.266 2.955 3.678 . 0 0 "[ . 1 . 2]" 7
17 2 14 VAL O 2 18 ARG H 2.800 2.300 3.300 2.728 2.284 3.125 0.016 6 0 "[ . 1 . 2]" 7
18 2 14 VAL O 2 18 ARG N 3.400 2.900 4.000 3.642 3.241 3.992 . 0 0 "[ . 1 . 2]" 7
19 2 15 GLY O 2 19 GLU H 2.800 2.300 3.300 2.847 2.517 3.150 . 0 0 "[ . 1 . 2]" 7
20 2 15 GLY O 2 19 GLU N 3.400 2.900 4.000 3.783 3.472 4.059 0.059 3 0 "[ . 1 . 2]" 7
21 2 16 VAL O 2 20 TRP H 2.800 2.300 3.300 2.303 2.180 2.499 0.120 6 0 "[ . 1 . 2]" 7
22 2 16 VAL O 2 20 TRP N 3.400 2.900 4.000 3.176 3.003 3.425 . 0 0 "[ . 1 . 2]" 7
23 2 17 LEU O 2 21 ALA H 2.800 2.300 3.300 2.720 2.277 3.015 0.023 20 0 "[ . 1 . 2]" 7
24 2 17 LEU O 2 21 ALA N 3.400 2.900 4.000 3.618 3.049 3.881 . 0 0 "[ . 1 . 2]" 7
25 2 18 ARG O 2 22 TYR H 2.800 2.300 3.300 2.540 2.254 3.025 0.046 12 0 "[ . 1 . 2]" 7
26 2 18 ARG O 2 22 TYR N 3.400 2.900 4.000 3.461 2.999 3.916 . 0 0 "[ . 1 . 2]" 7
stop_
save_
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