NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
488571 |
2kpl   |
16559 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kpl
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 49
_Distance_constraint_stats_list.Viol_count 211
_Distance_constraint_stats_list.Viol_total 314.319
_Distance_constraint_stats_list.Viol_max 0.258
_Distance_constraint_stats_list.Viol_rms 0.0411
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0160
_Distance_constraint_stats_list.Viol_average_violations_only 0.0745
_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 31 PHE 3.827 0.258 8 0 "[ . 1 . 2]"
1 34 THR 2.442 0.165 17 0 "[ . 1 . 2]"
1 35 VAL 1.530 0.114 6 0 "[ . 1 . 2]"
1 36 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 VAL 0.762 0.132 1 0 "[ . 1 . 2]"
1 84 VAL 2.619 0.213 8 0 "[ . 1 . 2]"
1 85 VAL 0.439 0.099 13 0 "[ . 1 . 2]"
1 88 PHE 0.299 0.047 4 0 "[ . 1 . 2]"
1 117 SER 0.445 0.090 6 0 "[ . 1 . 2]"
1 118 LEU 2.335 0.239 19 0 "[ . 1 . 2]"
1 119 VAL 1.020 0.169 20 0 "[ . 1 . 2]"
2 5 THR 3.195 0.187 8 0 "[ . 1 . 2]"
2 6 ARG 0.605 0.239 19 0 "[ . 1 . 2]"
2 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 THR 2.074 0.213 8 0 "[ . 1 . 2]"
2 10 GLN 1.059 0.132 1 0 "[ . 1 . 2]"
2 11 VAL 8.783 0.258 8 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 31 PHE HB3 2 11 VAL MG1 5.000 . 5.000 5.191 5.131 5.258 0.258 8 0 "[ . 1 . 2]" 1
2 1 31 PHE HB2 2 11 VAL MG1 5.000 . 5.000 4.055 3.839 4.209 . 0 0 "[ . 1 . 2]" 1
3 1 31 PHE HB3 2 11 VAL MG2 5.000 . 5.000 2.885 2.569 4.366 . 0 0 "[ . 1 . 2]" 1
4 1 31 PHE HB2 2 11 VAL MG2 5.000 . 5.000 2.175 1.888 3.552 . 0 0 "[ . 1 . 2]" 1
5 1 88 PHE HB3 2 11 VAL HB 5.000 . 5.000 2.900 2.448 3.535 . 0 0 "[ . 1 . 2]" 1
6 1 88 PHE HB2 2 11 VAL HB 5.000 . 5.000 4.521 4.048 5.034 0.034 13 0 "[ . 1 . 2]" 1
7 1 88 PHE HB3 2 11 VAL MG1 5.000 . 5.000 2.062 1.790 2.320 0.010 13 0 "[ . 1 . 2]" 1
8 1 88 PHE HB2 2 11 VAL MG1 5.000 . 5.000 2.836 2.704 2.991 . 0 0 "[ . 1 . 2]" 1
9 1 88 PHE HB3 2 11 VAL MG2 5.000 . 5.000 3.847 3.605 4.024 . 0 0 "[ . 1 . 2]" 1
10 1 88 PHE HB2 2 11 VAL MG2 5.000 . 5.000 4.913 4.512 5.047 0.047 4 0 "[ . 1 . 2]" 1
11 1 35 VAL MG1 2 11 VAL MG2 5.000 . 5.000 2.637 1.936 4.943 . 0 0 "[ . 1 . 2]" 1
12 1 35 VAL MG2 2 11 VAL MG2 5.000 . 5.000 3.772 2.769 4.488 . 0 0 "[ . 1 . 2]" 1
13 1 35 VAL HB 2 11 VAL MG2 5.000 . 5.000 4.488 2.971 5.081 0.081 18 0 "[ . 1 . 2]" 1
14 1 35 VAL MG1 2 11 VAL MG1 5.000 . 5.000 3.131 2.569 5.005 0.005 12 0 "[ . 1 . 2]" 1
15 1 35 VAL MG2 2 11 VAL MG1 5.000 . 5.000 3.718 2.553 5.022 0.022 2 0 "[ . 1 . 2]" 1
16 1 35 VAL HB 2 11 VAL MG1 5.000 . 5.000 5.028 4.648 5.114 0.114 6 0 "[ . 1 . 2]" 1
17 1 35 VAL MG1 2 9 THR HB 5.000 . 5.000 2.963 1.770 5.017 0.030 16 0 "[ . 1 . 2]" 1
18 1 35 VAL MG2 2 9 THR HB 5.000 . 5.000 2.698 1.796 3.969 0.004 4 0 "[ . 1 . 2]" 1
19 1 35 VAL HB 2 9 THR HB 5.000 . 5.000 4.456 1.999 5.010 0.010 1 0 "[ . 1 . 2]" 1
20 1 85 VAL HA 2 11 VAL MG1 5.000 . 5.000 3.681 3.479 3.884 . 0 0 "[ . 1 . 2]" 1
21 1 85 VAL HB 2 11 VAL MG1 5.000 . 5.000 4.985 4.824 5.099 0.099 13 0 "[ . 1 . 2]" 1
22 1 85 VAL HB 2 9 THR MG 5.000 . 5.000 2.138 1.981 2.710 . 0 0 "[ . 1 . 2]" 1
23 1 85 VAL MG1 2 9 THR MG 5.000 . 5.000 3.555 3.423 3.934 . 0 0 "[ . 1 . 2]" 1
24 1 85 VAL MG2 2 9 THR MG 5.000 . 5.000 2.047 1.932 2.200 . 0 0 "[ . 1 . 2]" 1
25 1 85 VAL MG2 2 9 THR HB 5.000 . 5.000 4.675 4.521 4.846 . 0 0 "[ . 1 . 2]" 1
26 1 84 VAL HA 2 9 THR MG 5.000 . 5.000 5.101 5.029 5.213 0.213 8 0 "[ . 1 . 2]" 1
27 1 84 VAL MG2 2 11 VAL MG1 5.000 . 5.000 3.706 3.379 4.048 . 0 0 "[ . 1 . 2]" 1
28 1 84 VAL MG2 2 11 VAL MG2 5.000 . 5.000 4.940 4.237 5.114 0.114 6 0 "[ . 1 . 2]" 1
29 1 36 VAL MG1 2 8 GLU HA 5.000 . 5.000 2.913 2.065 3.607 . 0 0 "[ . 1 . 2]" 1
30 1 36 VAL MG1 2 8 GLU QB 5.000 . 5.000 3.182 2.011 4.999 . 0 0 "[ . 1 . 2]" 1
31 1 36 VAL MG1 2 8 GLU QG 5.000 . 5.000 3.760 2.272 4.904 . 0 0 "[ . 1 . 2]" 1
32 1 34 THR MG 2 10 GLN HA . . 3.390 1.934 1.808 2.216 . 0 0 "[ . 1 . 2]" 1
33 1 34 THR MG 2 11 VAL HA 5.000 . 5.000 5.107 5.041 5.165 0.165 17 0 "[ . 1 . 2]" 1
34 1 34 THR HA 2 10 GLN HA . . 3.770 2.423 2.050 2.682 . 0 0 "[ . 1 . 2]" 1
35 1 34 THR HA 2 10 GLN QB . . 4.310 4.198 3.468 4.390 0.080 14 0 "[ . 1 . 2]" 1
36 1 51 VAL MG2 2 10 GLN QB 5.000 . 5.000 4.767 3.869 5.087 0.087 10 0 "[ . 1 . 2]" 1
37 1 51 VAL MG2 2 10 GLN QG 5.000 . 5.000 4.344 3.282 5.132 0.132 1 0 "[ . 1 . 2]" 1
38 1 119 VAL QG 2 5 THR HA . . 3.520 3.442 2.666 3.639 0.119 15 0 "[ . 1 . 2]" 1
39 1 119 VAL QG 2 5 THR HB 5.000 . 5.000 3.943 1.957 5.169 0.169 20 0 "[ . 1 . 2]" 1
40 1 119 VAL QG 2 5 THR MG 5.000 . 5.000 2.793 1.800 5.077 0.077 18 0 "[ . 1 . 2]" 1
41 1 118 LEU MD1 2 5 THR HA 5.000 . 5.000 4.402 3.258 5.186 0.186 7 0 "[ . 1 . 2]" 1
42 1 118 LEU MD1 2 6 ARG QG 5.000 . 5.000 3.713 1.991 5.023 0.023 7 0 "[ . 1 . 2]" 1
43 1 118 LEU MD2 2 5 THR HA 5.000 . 5.000 4.026 2.662 5.136 0.136 6 0 "[ . 1 . 2]" 1
44 1 118 LEU MD2 2 5 THR MG 5.000 . 5.000 4.795 3.678 5.187 0.187 8 0 "[ . 1 . 2]" 1
45 1 118 LEU MD2 2 6 ARG QG 5.000 . 5.000 4.475 2.606 5.239 0.239 19 0 "[ . 1 . 2]" 1
46 1 117 SER HB3 2 5 THR HA 5.000 . 5.000 4.362 2.988 5.066 0.066 9 0 "[ . 1 . 2]" 1
47 1 117 SER HB3 2 5 THR MG 5.000 . 5.000 3.436 1.888 5.068 0.068 2 0 "[ . 1 . 2]" 1
48 1 117 SER HB2 2 5 THR HA 5.000 . 5.000 4.345 3.121 5.090 0.090 6 0 "[ . 1 . 2]" 1
49 1 117 SER HB2 2 5 THR MG 5.000 . 5.000 3.656 2.186 4.943 . 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 1654
_Distance_constraint_stats_list.Viol_count 4952
_Distance_constraint_stats_list.Viol_total 6462.540
_Distance_constraint_stats_list.Viol_max 0.507
_Distance_constraint_stats_list.Viol_rms 0.0321
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0098
_Distance_constraint_stats_list.Viol_average_violations_only 0.0653
_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 2 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 MET 0.514 0.135 12 0 "[ . 1 . 2]"
1 4 GLY 0.063 0.041 4 0 "[ . 1 . 2]"
1 5 LYS 1.761 0.223 5 0 "[ . 1 . 2]"
1 6 PRO 2.400 0.116 20 0 "[ . 1 . 2]"
1 7 PHE 6.601 0.121 20 0 "[ . 1 . 2]"
1 8 PHE 7.953 0.173 19 0 "[ . 1 . 2]"
1 9 THR 9.753 0.299 6 0 "[ . 1 . 2]"
1 10 ARG 11.591 0.355 11 0 "[ . 1 . 2]"
1 11 ASN 10.452 0.355 11 0 "[ . 1 . 2]"
1 12 PRO 13.714 0.354 20 0 "[ . 1 . 2]"
1 13 SER 11.053 0.354 20 0 "[ . 1 . 2]"
1 14 GLU 4.743 0.192 18 0 "[ . 1 . 2]"
1 15 LEU 2.974 0.125 20 0 "[ . 1 . 2]"
1 16 LYS 7.450 0.208 20 0 "[ . 1 . 2]"
1 17 GLY 2.523 0.208 20 0 "[ . 1 . 2]"
1 18 LYS 4.975 0.146 10 0 "[ . 1 . 2]"
1 19 PHE 9.757 0.163 13 0 "[ . 1 . 2]"
1 20 ILE 7.782 0.155 14 0 "[ . 1 . 2]"
1 21 HIS 3.387 0.143 12 0 "[ . 1 . 2]"
1 22 THR 3.294 0.155 14 0 "[ . 1 . 2]"
1 23 LYS 5.089 0.137 17 0 "[ . 1 . 2]"
1 24 LEU 8.084 0.203 7 0 "[ . 1 . 2]"
1 25 ARG 3.640 0.130 5 0 "[ . 1 . 2]"
1 26 LYS 12.620 0.311 15 0 "[ . 1 . 2]"
1 27 SER 2.676 0.186 18 0 "[ . 1 . 2]"
1 28 SER 1.034 0.097 4 0 "[ . 1 . 2]"
1 29 ARG 4.026 0.334 6 0 "[ . 1 . 2]"
1 30 GLY 1.377 0.114 14 0 "[ . 1 . 2]"
1 31 PHE 17.112 0.337 10 0 "[ . 1 . 2]"
1 32 GLY 0.399 0.074 13 0 "[ . 1 . 2]"
1 33 PHE 5.577 0.144 7 0 "[ . 1 . 2]"
1 34 THR 1.692 0.242 14 0 "[ . 1 . 2]"
1 35 VAL 6.200 0.294 8 0 "[ . 1 . 2]"
1 36 VAL 6.226 0.287 1 0 "[ . 1 . 2]"
1 37 GLY 0.242 0.224 12 0 "[ . 1 . 2]"
1 38 GLY 8.368 0.208 5 0 "[ . 1 . 2]"
1 39 ASP 8.934 0.283 7 0 "[ . 1 . 2]"
1 40 GLU 12.981 0.269 1 0 "[ . 1 . 2]"
1 41 PRO 12.320 0.226 2 0 "[ . 1 . 2]"
1 42 ASP 5.628 0.226 2 0 "[ . 1 . 2]"
1 43 GLU 1.372 0.122 5 0 "[ . 1 . 2]"
1 44 PHE 4.546 0.181 19 0 "[ . 1 . 2]"
1 45 LEU 4.909 0.184 10 0 "[ . 1 . 2]"
1 46 GLN 14.196 0.287 1 0 "[ . 1 . 2]"
1 47 ILE 6.722 0.294 8 0 "[ . 1 . 2]"
1 48 LYS 4.315 0.252 8 0 "[ . 1 . 2]"
1 49 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 LEU 11.551 0.183 16 0 "[ . 1 . 2]"
1 51 VAL 5.835 0.143 1 0 "[ . 1 . 2]"
1 52 LEU 4.938 0.139 20 0 "[ . 1 . 2]"
1 53 ASP 3.634 0.507 9 1 "[ . +1 . 2]"
1 54 GLY 4.882 0.346 9 0 "[ . 1 . 2]"
1 55 PRO 9.007 0.186 18 0 "[ . 1 . 2]"
1 56 ALA 1.863 0.139 15 0 "[ . 1 . 2]"
1 57 ALA 0.867 0.116 9 0 "[ . 1 . 2]"
1 58 LEU 9.419 0.507 9 1 "[ . +1 . 2]"
1 59 ASP 3.362 0.153 13 0 "[ . 1 . 2]"
1 60 GLY 3.414 0.226 19 0 "[ . 1 . 2]"
1 61 LYS 2.199 0.226 19 0 "[ . 1 . 2]"
1 62 MET 4.067 0.176 15 0 "[ . 1 . 2]"
1 63 GLU 1.971 0.246 15 0 "[ . 1 . 2]"
1 64 THR 7.737 0.166 11 0 "[ . 1 . 2]"
1 65 GLY 1.414 0.075 11 0 "[ . 1 . 2]"
1 66 ASP 0.454 0.176 20 0 "[ . 1 . 2]"
1 67 VAL 3.697 0.165 18 0 "[ . 1 . 2]"
1 68 ILE 4.607 0.182 8 0 "[ . 1 . 2]"
1 69 VAL 1.673 0.103 1 0 "[ . 1 . 2]"
1 70 SER 0.984 0.087 5 0 "[ . 1 . 2]"
1 71 VAL 2.061 0.135 10 0 "[ . 1 . 2]"
1 72 ASN 6.840 0.330 12 0 "[ . 1 . 2]"
1 73 ASP 2.093 0.154 3 0 "[ . 1 . 2]"
1 74 THR 1.727 0.083 14 0 "[ . 1 . 2]"
1 75 CYS 1.903 0.092 10 0 "[ . 1 . 2]"
1 76 VAL 0.466 0.099 13 0 "[ . 1 . 2]"
1 77 LEU 3.349 0.143 4 0 "[ . 1 . 2]"
1 78 GLY 2.131 0.134 3 0 "[ . 1 . 2]"
1 79 HIS 9.621 0.206 10 0 "[ . 1 . 2]"
1 80 THR 2.704 0.108 10 0 "[ . 1 . 2]"
1 81 HIS 0.857 0.094 10 0 "[ . 1 . 2]"
1 82 ALA 4.782 0.283 7 0 "[ . 1 . 2]"
1 83 GLN 5.731 0.132 7 0 "[ . 1 . 2]"
1 84 VAL 6.577 0.206 10 0 "[ . 1 . 2]"
1 85 VAL 2.677 0.136 3 0 "[ . 1 . 2]"
1 86 LYS 2.165 0.161 17 0 "[ . 1 . 2]"
1 87 ILE 3.769 0.187 4 0 "[ . 1 . 2]"
1 88 PHE 3.908 0.187 4 0 "[ . 1 . 2]"
1 89 GLN 2.730 0.207 17 0 "[ . 1 . 2]"
1 90 SER 0.092 0.034 18 0 "[ . 1 . 2]"
1 91 ILE 25.058 0.337 10 0 "[ . 1 . 2]"
1 92 PRO 7.811 0.231 1 0 "[ . 1 . 2]"
1 93 ILE 9.629 0.216 8 0 "[ . 1 . 2]"
1 94 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ALA 2.128 0.201 20 0 "[ . 1 . 2]"
1 96 SER 8.500 0.266 9 0 "[ . 1 . 2]"
1 97 VAL 8.289 0.330 12 0 "[ . 1 . 2]"
1 98 ASP 3.571 0.123 12 0 "[ . 1 . 2]"
1 99 LEU 6.122 0.135 10 0 "[ . 1 . 2]"
1 100 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 LEU 5.904 0.176 15 0 "[ . 1 . 2]"
1 102 CYS 0.532 0.155 17 0 "[ . 1 . 2]"
1 103 ARG 6.613 0.246 15 0 "[ . 1 . 2]"
1 104 GLY 0.401 0.078 15 0 "[ . 1 . 2]"
1 105 TYR 0.749 0.087 6 0 "[ . 1 . 2]"
1 106 PRO 0.042 0.017 15 0 "[ . 1 . 2]"
1 107 LEU 3.490 0.214 7 0 "[ . 1 . 2]"
1 108 PRO 0.282 0.038 4 0 "[ . 1 . 2]"
1 109 PHE 0.170 0.093 16 0 "[ . 1 . 2]"
1 110 ASP 8.019 0.218 5 0 "[ . 1 . 2]"
1 111 PRO 13.133 0.326 7 0 "[ . 1 . 2]"
1 112 ASP 4.972 0.326 7 0 "[ . 1 . 2]"
1 113 ASP 0.716 0.103 10 0 "[ . 1 . 2]"
1 114 PRO 4.022 0.214 3 0 "[ . 1 . 2]"
1 115 ASN 8.154 0.214 3 0 "[ . 1 . 2]"
1 116 THR 3.321 0.298 14 0 "[ . 1 . 2]"
1 117 SER 4.459 0.298 14 0 "[ . 1 . 2]"
1 118 LEU 3.762 0.189 10 0 "[ . 1 . 2]"
1 119 VAL 3.027 0.134 17 0 "[ . 1 . 2]"
1 120 THR 1.711 0.148 9 0 "[ . 1 . 2]"
1 121 SER 3.712 0.148 9 0 "[ . 1 . 2]"
1 122 VAL 1.893 0.203 1 0 "[ . 1 . 2]"
1 123 ALA 0.849 0.101 19 0 "[ . 1 . 2]"
1 124 ILE 2.197 0.203 1 0 "[ . 1 . 2]"
1 125 LEU 4.372 0.168 4 0 "[ . 1 . 2]"
1 126 ASP 2.622 0.168 11 0 "[ . 1 . 2]"
1 127 LYS 4.171 0.168 4 0 "[ . 1 . 2]"
1 128 GLU 0.637 0.140 3 0 "[ . 1 . 2]"
1 129 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 THR 0.461 0.109 19 0 "[ . 1 . 2]"
2 9 THR 2.160 0.207 17 0 "[ . 1 . 2]"
2 10 GLN 0.059 0.029 20 0 "[ . 1 . 2]"
2 11 VAL 0.355 0.111 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 1 72 ASN H 1 99 LEU HA 4.940 . 4.940 3.630 3.288 3.941 . 0 0 "[ . 1 . 2]" 2
2 1 35 VAL HB 1 46 GLN H 4.760 . 4.760 3.874 2.790 4.828 0.068 2 0 "[ . 1 . 2]" 2
3 1 69 VAL MG2 1 101 LEU H 5.330 . 5.330 4.264 4.078 4.432 . 0 0 "[ . 1 . 2]" 2
4 1 45 LEU H 1 45 LEU MD2 5.110 . 5.110 4.215 3.834 4.333 . 0 0 "[ . 1 . 2]" 2
5 1 44 PHE HB3 1 45 LEU H 5.090 . 5.090 2.396 2.173 2.499 . 0 0 "[ . 1 . 2]" 2
6 1 36 VAL H 1 45 LEU HA 4.640 . 4.640 4.593 4.330 4.674 0.034 12 0 "[ . 1 . 2]" 2
7 1 26 LYS QE 1 97 VAL H 4.110 . 4.110 3.119 2.526 3.573 . 0 0 "[ . 1 . 2]" 2
8 1 74 THR HB 1 75 CYS H 4.090 . 4.090 4.089 3.881 4.143 0.053 10 0 "[ . 1 . 2]" 2
9 1 69 VAL MG2 1 102 CYS H 4.620 . 4.620 2.589 2.364 2.724 . 0 0 "[ . 1 . 2]" 2
10 1 102 CYS H 1 103 ARG H 4.780 . 4.780 4.247 4.091 4.402 . 0 0 "[ . 1 . 2]" 2
11 1 19 PHE H 1 19 PHE QD 4.080 . 4.080 4.172 4.138 4.239 0.159 10 0 "[ . 1 . 2]" 2
12 1 19 PHE QD 1 20 ILE H 5.240 . 5.240 2.367 2.071 2.595 . 0 0 "[ . 1 . 2]" 2
13 1 39 ASP H 1 39 ASP HB2 3.900 . 3.900 2.581 2.353 2.812 . 0 0 "[ . 1 . 2]" 2
14 1 72 ASN H 1 73 ASP H 4.870 . 4.870 3.773 2.792 4.320 . 0 0 "[ . 1 . 2]" 2
15 1 52 LEU H 1 52 LEU MD2 4.680 . 4.680 3.176 3.056 3.338 . 0 0 "[ . 1 . 2]" 2
16 1 26 LYS H 1 91 ILE MD 4.590 . 4.590 4.826 4.730 4.901 0.311 15 0 "[ . 1 . 2]" 2
17 1 26 LYS H 1 55 PRO HG3 4.920 . 4.920 4.947 4.548 5.031 0.111 16 0 "[ . 1 . 2]" 2
18 1 25 ARG H 1 55 PRO HB2 5.030 . 5.030 2.553 2.354 2.897 . 0 0 "[ . 1 . 2]" 2
19 1 24 LEU HA 1 25 ARG H 3.210 . 3.210 2.072 1.975 2.154 . 0 0 "[ . 1 . 2]" 2
20 1 20 ILE MG 1 21 HIS H 3.870 . 3.870 3.359 3.183 3.486 . 0 0 "[ . 1 . 2]" 2
21 1 76 VAL H 1 77 LEU H 3.760 . 3.760 2.442 2.298 2.595 . 0 0 "[ . 1 . 2]" 2
22 1 50 LEU H 1 50 LEU HG 4.200 . 4.200 3.706 2.201 4.274 0.074 9 0 "[ . 1 . 2]" 2
23 1 50 LEU H 1 51 VAL MG2 5.280 . 5.280 4.725 4.493 5.100 . 0 0 "[ . 1 . 2]" 2
24 1 80 THR H 1 80 THR HB 4.120 . 4.120 2.399 2.311 2.502 . 0 0 "[ . 1 . 2]" 2
25 1 79 HIS HB2 1 80 THR H 4.320 . 4.320 4.315 4.193 4.428 0.108 10 0 "[ . 1 . 2]" 2
26 1 80 THR H 1 80 THR MG 3.880 . 3.880 3.700 3.657 3.763 . 0 0 "[ . 1 . 2]" 2
27 1 115 ASN H 1 115 ASN HB2 4.090 . 4.090 3.460 2.426 3.734 . 0 0 "[ . 1 . 2]" 2
28 1 115 ASN H 1 115 ASN HB3 3.930 . 3.930 3.963 3.577 4.040 0.110 14 0 "[ . 1 . 2]" 2
29 1 50 LEU MD2 1 64 THR H 4.190 . 4.190 2.940 1.748 3.948 0.052 10 0 "[ . 1 . 2]" 2
30 1 50 LEU MD1 1 64 THR H 4.540 . 4.540 4.344 3.843 4.566 0.026 13 0 "[ . 1 . 2]" 2
31 1 83 GLN HB2 1 85 VAL H 4.900 . 4.900 4.901 4.792 4.940 0.040 2 0 "[ . 1 . 2]" 2
32 1 60 GLY H 1 62 MET H 4.680 . 4.680 4.257 3.932 4.751 0.071 20 0 "[ . 1 . 2]" 2
33 1 96 SER H 1 96 SER QB . . 3.520 2.853 2.483 3.294 . 0 0 "[ . 1 . 2]" 2
34 1 15 LEU HB3 1 16 LYS H 3.940 . 3.940 2.969 2.794 3.065 . 0 0 "[ . 1 . 2]" 2
35 1 15 LEU MD1 1 16 LYS H 4.730 . 4.730 4.761 4.734 4.796 0.066 20 0 "[ . 1 . 2]" 2
36 1 16 LYS H 1 16 LYS QE 4.800 . 4.800 4.181 3.600 4.828 0.028 20 0 "[ . 1 . 2]" 2
37 1 70 SER HA 1 71 VAL H 3.390 . 3.390 2.499 2.248 2.574 . 0 0 "[ . 1 . 2]" 2
38 1 84 VAL H 1 87 ILE MD 5.420 . 5.420 4.887 4.636 5.298 . 0 0 "[ . 1 . 2]" 2
39 1 38 GLY H 1 39 ASP HB2 4.360 . 4.360 4.477 4.361 4.568 0.208 5 0 "[ . 1 . 2]" 2
40 1 3 MET HA 1 5 LYS H 3.430 . 3.430 3.153 2.751 3.444 0.014 4 0 "[ . 1 . 2]" 2
41 1 124 ILE H 1 125 LEU QB 3.950 . 3.950 3.870 3.301 4.027 0.077 9 0 "[ . 1 . 2]" 2
42 1 70 SER QB 1 100 GLU H 5.260 . 5.260 3.844 2.787 4.763 . 0 0 "[ . 1 . 2]" 2
43 1 99 LEU MD2 1 100 GLU H 5.500 . 5.500 4.734 4.458 4.950 . 0 0 "[ . 1 . 2]" 2
44 1 72 ASN HD21 1 73 ASP H 5.430 . 5.430 4.883 3.588 5.584 0.154 3 0 "[ . 1 . 2]" 2
45 1 23 LYS H 1 24 LEU H 5.120 . 5.120 4.521 4.435 4.564 . 0 0 "[ . 1 . 2]" 2
46 1 125 LEU QD 1 127 LYS H 5.150 . 5.150 4.816 3.355 5.261 0.111 2 0 "[ . 1 . 2]" 2
47 1 72 ASN HD21 1 98 ASP H 4.990 . 4.990 3.600 2.207 4.694 . 0 0 "[ . 1 . 2]" 2
48 1 10 ARG H 1 11 ASN HD21 4.910 . 4.910 4.805 4.024 5.124 0.214 1 0 "[ . 1 . 2]" 2
49 1 68 ILE MD 1 70 SER H 4.960 . 4.960 4.699 4.434 5.047 0.087 5 0 "[ . 1 . 2]" 2
50 1 46 GLN HE21 1 107 LEU MD1 4.580 . 4.580 4.179 2.298 4.686 0.106 15 0 "[ . 1 . 2]" 2
51 1 69 VAL H 1 70 SER H 3.790 . 3.790 2.351 2.189 2.460 . 0 0 "[ . 1 . 2]" 2
52 1 69 VAL MG2 1 70 SER H 4.590 . 4.590 3.705 3.591 3.852 . 0 0 "[ . 1 . 2]" 2
53 1 33 PHE H 1 33 PHE QD 3.980 . 3.980 3.507 3.379 3.678 . 0 0 "[ . 1 . 2]" 2
54 1 77 LEU H 1 77 LEU HG 4.540 . 4.540 4.413 4.101 4.505 . 0 0 "[ . 1 . 2]" 2
55 1 59 ASP H 1 59 ASP HB3 3.960 . 3.960 2.668 2.560 2.815 . 0 0 "[ . 1 . 2]" 2
56 1 58 LEU HA 1 59 ASP H 3.590 . 3.590 3.553 3.497 3.573 . 0 0 "[ . 1 . 2]" 2
57 1 53 ASP HB3 1 54 GLY H 4.150 . 4.150 3.676 3.049 3.878 . 0 0 "[ . 1 . 2]" 2
58 1 32 GLY HA2 1 51 VAL H 4.910 . 4.910 4.747 4.544 4.958 0.048 9 0 "[ . 1 . 2]" 2
59 1 50 LEU H 1 51 VAL H 4.250 . 4.250 4.336 4.286 4.393 0.143 1 0 "[ . 1 . 2]" 2
60 1 51 VAL H 1 51 VAL HB 3.830 . 3.830 2.425 2.357 2.531 . 0 0 "[ . 1 . 2]" 2
61 1 50 LEU MD2 1 51 VAL H 5.220 . 5.220 4.686 3.086 5.243 0.023 10 0 "[ . 1 . 2]" 2
62 1 75 CYS H 1 79 HIS HE1 4.310 . 4.310 4.279 4.115 4.356 0.046 16 0 "[ . 1 . 2]" 2
63 1 76 VAL HA 1 79 HIS HE1 4.690 . 4.690 3.845 3.530 4.148 . 0 0 "[ . 1 . 2]" 2
64 1 74 THR MG 1 79 HIS HE1 4.280 . 4.280 2.876 2.287 3.275 . 0 0 "[ . 1 . 2]" 2
65 1 76 VAL QG 1 79 HIS HE1 5.280 . 5.280 4.165 3.444 4.969 . 0 0 "[ . 1 . 2]" 2
66 1 31 PHE QE 1 88 PHE HA 3.700 . 3.700 3.018 2.601 3.435 . 0 0 "[ . 1 . 2]" 2
67 1 30 GLY HA2 1 31 PHE QE 4.080 . 4.080 4.144 4.084 4.194 0.114 14 0 "[ . 1 . 2]" 2
68 1 84 VAL QG 1 86 LYS H 4.330 . 4.330 4.106 4.048 4.297 . 0 0 "[ . 1 . 2]" 2
69 1 86 LYS H 1 87 ILE H 3.270 . 3.270 2.802 2.677 2.889 . 0 0 "[ . 1 . 2]" 2
70 1 31 PHE QE 1 97 VAL HB 4.740 . 4.740 4.754 4.599 4.882 0.142 6 0 "[ . 1 . 2]" 2
71 1 31 PHE QE 1 91 ILE MG 4.530 . 4.530 3.869 3.601 4.193 . 0 0 "[ . 1 . 2]" 2
72 1 24 LEU MD2 1 31 PHE QE 4.820 . 4.820 3.187 2.799 3.651 . 0 0 "[ . 1 . 2]" 2
73 1 31 PHE QE 1 97 VAL MG2 4.320 . 4.320 2.218 2.052 2.381 . 0 0 "[ . 1 . 2]" 2
74 1 26 LYS HG3 1 31 PHE QE 5.150 . 5.150 4.181 3.612 4.776 . 0 0 "[ . 1 . 2]" 2
75 1 31 PHE QE 2 11 VAL QG 5.500 . 5.500 3.638 3.323 3.886 . 0 0 "[ . 1 . 2]" 2
76 1 31 PHE QE 1 88 PHE HZ 4.500 . 4.500 4.498 4.333 4.586 0.086 19 0 "[ . 1 . 2]" 2
77 1 39 ASP HB2 1 40 GLU H 3.880 . 3.880 3.827 3.555 3.943 0.063 6 0 "[ . 1 . 2]" 2
78 1 38 GLY HA2 1 40 GLU H 5.100 . 5.100 3.299 3.059 3.509 . 0 0 "[ . 1 . 2]" 2
79 1 40 GLU H 1 43 GLU HB3 4.880 . 4.880 2.595 2.021 3.355 . 0 0 "[ . 1 . 2]" 2
80 1 91 ILE H 1 92 PRO HD2 5.220 . 5.220 5.319 5.291 5.370 0.150 1 0 "[ . 1 . 2]" 2
81 1 26 LYS HG2 1 27 SER H 5.410 . 5.410 5.301 4.871 5.458 0.048 8 0 "[ . 1 . 2]" 2
82 1 27 SER H 1 55 PRO HG3 4.830 . 4.830 2.805 2.470 3.077 . 0 0 "[ . 1 . 2]" 2
83 1 85 VAL QG 1 89 GLN HE21 3.950 . 3.950 3.428 1.933 3.976 0.026 16 0 "[ . 1 . 2]" 2
84 1 7 PHE QE 1 15 LEU MD2 4.230 . 4.230 2.112 1.947 2.987 . 0 0 "[ . 1 . 2]" 2
85 1 12 PRO HD2 1 19 PHE HZ 4.840 . 4.840 4.950 4.916 5.003 0.163 13 0 "[ . 1 . 2]" 2
86 1 31 PHE HZ 1 91 ILE MG 3.960 . 3.960 4.144 4.010 4.237 0.277 2 0 "[ . 1 . 2]" 2
87 1 26 LYS HD3 1 31 PHE HZ 4.580 . 4.580 4.003 3.226 4.641 0.061 5 0 "[ . 1 . 2]" 2
88 1 31 PHE HZ 1 97 VAL MG2 5.010 . 5.010 2.041 1.863 2.292 . 0 0 "[ . 1 . 2]" 2
89 1 87 ILE H 1 88 PHE HB3 5.500 . 5.500 5.658 5.618 5.687 0.187 4 0 "[ . 1 . 2]" 2
90 1 19 PHE QD 1 102 CYS HA 4.970 . 4.970 3.432 3.159 3.697 . 0 0 "[ . 1 . 2]" 2
91 1 19 PHE QD 1 69 VAL MG2 4.870 . 4.870 3.946 3.416 4.365 . 0 0 "[ . 1 . 2]" 2
92 1 12 PRO HB3 1 19 PHE QD 3.870 . 3.870 3.760 3.376 3.923 0.053 20 0 "[ . 1 . 2]" 2
93 1 44 PHE QD 1 45 LEU H 4.330 . 4.330 4.225 4.008 4.355 0.025 20 0 "[ . 1 . 2]" 2
94 1 44 PHE H 1 44 PHE QD 4.530 . 4.530 3.143 2.790 3.346 . 0 0 "[ . 1 . 2]" 2
95 1 44 PHE HA 1 44 PHE QD 3.520 . 3.520 2.553 2.390 2.828 . 0 0 "[ . 1 . 2]" 2
96 1 13 SER HA 1 19 PHE QD 3.970 . 3.970 3.695 3.246 3.977 0.007 11 0 "[ . 1 . 2]" 2
97 1 44 PHE QD 1 77 LEU MD1 4.130 . 4.130 2.477 2.133 2.891 . 0 0 "[ . 1 . 2]" 2
98 1 19 PHE QD 1 20 ILE MD 4.540 . 4.540 3.891 3.698 4.096 . 0 0 "[ . 1 . 2]" 2
99 1 44 PHE QD 1 67 VAL MG2 4.320 . 4.320 3.184 2.619 4.303 . 0 0 "[ . 1 . 2]" 2
100 1 6 PRO HA 1 7 PHE QD 4.010 . 4.010 3.582 3.098 4.031 0.021 12 0 "[ . 1 . 2]" 2
101 1 7 PHE HA 1 7 PHE QD 3.630 . 3.630 3.682 3.655 3.713 0.083 18 0 "[ . 1 . 2]" 2
102 1 19 PHE QE 1 69 VAL MG1 4.120 . 4.120 3.508 2.897 3.954 . 0 0 "[ . 1 . 2]" 2
103 1 21 HIS H 1 21 HIS HD2 5.440 . 5.440 4.471 1.896 5.142 . 0 0 "[ . 1 . 2]" 2
104 1 21 HIS HD2 1 22 THR H 5.040 . 5.040 4.370 2.766 5.094 0.054 8 0 "[ . 1 . 2]" 2
105 1 21 HIS HA 1 21 HIS HD2 4.960 . 4.960 3.890 2.397 4.598 . 0 0 "[ . 1 . 2]" 2
106 1 21 HIS HD2 1 22 THR HA 5.330 . 5.330 4.404 3.640 5.367 0.037 15 0 "[ . 1 . 2]" 2
107 1 88 PHE HA 1 88 PHE QD 3.600 . 3.600 2.945 2.793 3.064 . 0 0 "[ . 1 . 2]" 2
108 1 84 VAL QG 1 88 PHE QD 4.000 . 4.000 2.767 2.524 3.005 . 0 0 "[ . 1 . 2]" 2
109 1 71 VAL MG2 1 88 PHE QD 5.500 . 5.500 4.895 4.117 5.475 . 0 0 "[ . 1 . 2]" 2
110 1 87 ILE MD 1 88 PHE QD 4.390 . 4.390 3.704 3.457 3.997 . 0 0 "[ . 1 . 2]" 2
111 1 87 ILE MG 1 88 PHE QD 4.370 . 4.370 2.940 2.745 3.234 . 0 0 "[ . 1 . 2]" 2
112 1 31 PHE QD 1 33 PHE HZ 5.270 . 5.270 3.959 3.479 4.306 . 0 0 "[ . 1 . 2]" 2
113 1 24 LEU MD2 1 31 PHE QD 4.060 . 4.060 2.056 1.869 2.411 . 0 0 "[ . 1 . 2]" 2
114 1 88 PHE QD 2 11 VAL QG 4.270 . 4.270 1.912 1.799 2.065 0.001 14 0 "[ . 1 . 2]" 2
115 1 31 PHE HA 1 31 PHE QD 3.520 . 3.520 2.628 2.460 2.790 . 0 0 "[ . 1 . 2]" 2
116 1 24 LEU HB2 1 31 PHE QD 4.200 . 4.200 3.787 3.539 3.941 . 0 0 "[ . 1 . 2]" 2
117 1 25 ARG H 1 31 PHE QD 5.500 . 5.500 5.241 4.581 5.555 0.055 19 0 "[ . 1 . 2]" 2
118 1 31 PHE QD 1 33 PHE QD 5.140 . 5.140 4.209 3.605 4.638 . 0 0 "[ . 1 . 2]" 2
119 1 26 LYS HA 1 31 PHE QD 4.280 . 4.280 3.949 3.273 4.422 0.142 14 0 "[ . 1 . 2]" 2
120 1 31 PHE QD 1 55 PRO HB2 4.990 . 4.990 4.131 3.813 4.353 . 0 0 "[ . 1 . 2]" 2
121 1 24 LEU HB3 1 31 PHE QD 4.210 . 4.210 2.506 2.318 2.671 . 0 0 "[ . 1 . 2]" 2
122 1 105 TYR H 1 105 TYR QD 4.300 . 4.300 2.953 2.012 4.255 . 0 0 "[ . 1 . 2]" 2
123 1 67 VAL MG1 1 105 TYR QD 4.280 . 4.280 2.436 2.058 2.935 . 0 0 "[ . 1 . 2]" 2
124 1 8 PHE QE 1 10 ARG HA 5.130 . 5.130 3.715 2.871 4.695 . 0 0 "[ . 1 . 2]" 2
125 1 8 PHE QE 1 9 THR HB 4.900 . 4.900 5.034 4.997 5.073 0.173 19 0 "[ . 1 . 2]" 2
126 1 8 PHE QE 1 42 ASP HA 5.020 . 5.020 3.013 2.296 4.073 . 0 0 "[ . 1 . 2]" 2
127 1 8 PHE QE 1 10 ARG QD 5.270 . 5.270 4.574 2.585 5.356 0.086 13 0 "[ . 1 . 2]" 2
128 1 33 PHE HZ 1 88 PHE QE 3.950 . 3.950 2.891 2.012 3.652 . 0 0 "[ . 1 . 2]" 2
129 1 88 PHE HA 1 88 PHE QE 5.200 . 5.200 4.512 4.422 4.597 . 0 0 "[ . 1 . 2]" 2
130 1 84 VAL QG 1 88 PHE QE 3.620 . 3.620 2.692 2.493 2.954 . 0 0 "[ . 1 . 2]" 2
131 1 88 PHE QE 1 99 LEU MD1 3.470 . 3.470 3.139 2.676 3.516 0.046 18 0 "[ . 1 . 2]" 2
132 1 72 ASN HD22 1 97 VAL MG1 3.420 . 3.420 3.009 2.106 3.485 0.065 7 0 "[ . 1 . 2]" 2
133 1 68 ILE MG 1 88 PHE QE 4.140 . 4.140 3.559 3.139 3.921 . 0 0 "[ . 1 . 2]" 2
134 1 71 VAL MG1 1 88 PHE QE 3.510 . 3.510 2.504 1.962 3.371 . 0 0 "[ . 1 . 2]" 2
135 1 71 VAL MG2 1 88 PHE QE 4.140 . 4.140 3.659 2.951 4.167 0.027 13 0 "[ . 1 . 2]" 2
136 1 88 PHE QE 2 11 VAL QG 5.170 . 5.170 3.080 2.831 3.425 . 0 0 "[ . 1 . 2]" 2
137 1 15 LEU MD2 1 44 PHE QE 4.140 . 4.140 2.601 2.052 2.981 . 0 0 "[ . 1 . 2]" 2
138 1 9 THR H 1 44 PHE QE 4.070 . 4.070 3.816 3.565 3.981 . 0 0 "[ . 1 . 2]" 2
139 1 44 PHE HA 1 44 PHE QE 4.900 . 4.900 4.778 4.667 4.905 0.005 15 0 "[ . 1 . 2]" 2
140 1 8 PHE HA 1 44 PHE QE 4.380 . 4.380 3.275 2.923 3.745 . 0 0 "[ . 1 . 2]" 2
141 1 44 PHE QE 1 77 LEU MD1 4.290 . 4.290 2.800 1.979 3.486 . 0 0 "[ . 1 . 2]" 2
142 1 9 THR H 1 44 PHE HZ 4.660 . 4.660 2.734 2.495 3.018 . 0 0 "[ . 1 . 2]" 2
143 1 8 PHE HA 1 44 PHE HZ 4.820 . 4.820 3.048 2.062 3.923 . 0 0 "[ . 1 . 2]" 2
144 1 9 THR MG 1 44 PHE HZ 4.640 . 4.640 4.683 4.529 4.779 0.139 4 0 "[ . 1 . 2]" 2
145 1 15 LEU MD2 1 105 TYR QE 3.760 . 3.760 2.439 2.017 3.110 . 0 0 "[ . 1 . 2]" 2
146 1 16 LYS H 1 105 TYR QE 4.410 . 4.410 2.886 2.321 4.290 . 0 0 "[ . 1 . 2]" 2
147 1 15 LEU HA 1 105 TYR QE 4.800 . 4.800 3.346 2.775 4.111 . 0 0 "[ . 1 . 2]" 2
148 1 67 VAL MG1 1 105 TYR QE 5.240 . 5.240 3.290 2.886 4.038 . 0 0 "[ . 1 . 2]" 2
149 1 31 PHE HA 1 33 PHE QD 5.050 . 5.050 4.892 4.635 5.093 0.043 13 0 "[ . 1 . 2]" 2
150 1 33 PHE QD 1 56 ALA MB 3.730 . 3.730 2.557 2.366 3.054 . 0 0 "[ . 1 . 2]" 2
151 1 33 PHE QD 1 62 MET ME 4.370 . 4.370 3.326 2.844 4.274 . 0 0 "[ . 1 . 2]" 2
152 1 33 PHE QD 1 47 ILE MG 4.050 . 4.050 2.703 2.247 3.152 . 0 0 "[ . 1 . 2]" 2
153 1 33 PHE QD 1 99 LEU MD2 5.500 . 5.500 4.987 4.285 5.605 0.105 3 0 "[ . 1 . 2]" 2
154 1 33 PHE QD 2 11 VAL QG 4.740 . 4.740 2.872 2.750 3.078 . 0 0 "[ . 1 . 2]" 2
155 1 20 ILE MG 1 103 ARG QH2 5.260 . 5.260 4.939 3.068 5.305 0.045 16 0 "[ . 1 . 2]" 2
156 1 36 VAL MG2 1 46 GLN HE22 3.980 . 3.980 3.910 3.411 4.166 0.186 11 0 "[ . 1 . 2]" 2
157 1 79 HIS HD2 1 84 VAL H 5.020 . 5.020 2.480 2.286 3.068 . 0 0 "[ . 1 . 2]" 2
158 1 79 HIS HA 1 79 HIS HD2 5.260 . 5.260 4.099 3.623 4.365 . 0 0 "[ . 1 . 2]" 2
159 1 76 VAL HA 1 79 HIS HD2 5.350 . 5.350 4.279 3.746 4.682 . 0 0 "[ . 1 . 2]" 2
160 1 79 HIS HD2 1 84 VAL HA 4.890 . 4.890 2.307 2.058 2.465 . 0 0 "[ . 1 . 2]" 2
161 1 79 HIS HD2 1 83 GLN HB2 4.720 . 4.720 2.512 2.279 2.964 . 0 0 "[ . 1 . 2]" 2
162 1 79 HIS HD2 1 83 GLN HB3 4.320 . 4.320 2.714 2.495 3.104 . 0 0 "[ . 1 . 2]" 2
163 1 76 VAL QG 1 79 HIS HD2 5.100 . 5.100 3.383 2.858 3.949 . 0 0 "[ . 1 . 2]" 2
164 1 31 PHE QD 1 33 PHE QE 4.510 . 4.510 2.859 2.457 3.323 . 0 0 "[ . 1 . 2]" 2
165 1 31 PHE HA 1 33 PHE QE 5.070 . 5.070 4.498 4.141 4.773 . 0 0 "[ . 1 . 2]" 2
166 1 31 PHE HB3 1 33 PHE QE 3.970 . 3.970 2.436 2.090 2.885 . 0 0 "[ . 1 . 2]" 2
167 1 33 PHE QE 1 56 ALA MB 5.010 . 5.010 3.401 2.804 4.209 . 0 0 "[ . 1 . 2]" 2
168 1 33 PHE QE 1 62 MET ME 4.310 . 4.310 3.023 2.806 3.545 . 0 0 "[ . 1 . 2]" 2
169 1 33 PHE QE 1 47 ILE MG 5.230 . 5.230 4.315 3.935 4.675 . 0 0 "[ . 1 . 2]" 2
170 1 33 PHE QE 1 68 ILE HG13 4.370 . 4.370 3.067 2.631 4.180 . 0 0 "[ . 1 . 2]" 2
171 1 33 PHE QE 2 11 VAL QG 4.370 . 4.370 2.644 2.428 2.797 . 0 0 "[ . 1 . 2]" 2
172 1 8 PHE HA 1 8 PHE QD 4.060 . 4.060 3.044 2.888 3.263 . 0 0 "[ . 1 . 2]" 2
173 1 8 PHE QD 1 44 PHE QD 4.440 . 4.440 4.093 3.681 4.427 . 0 0 "[ . 1 . 2]" 2
174 1 8 PHE QD 1 9 THR H 4.850 . 4.850 3.469 3.059 3.603 . 0 0 "[ . 1 . 2]" 2
175 1 8 PHE QD 1 43 GLU HA 4.700 . 4.700 4.592 4.157 4.750 0.050 11 0 "[ . 1 . 2]" 2
176 1 8 PHE QD 1 9 THR HA 5.100 . 5.100 3.134 2.382 3.571 . 0 0 "[ . 1 . 2]" 2
177 1 23 LYS HA 1 98 ASP H 4.470 . 4.470 4.427 4.169 4.572 0.102 18 0 "[ . 1 . 2]" 2
178 1 38 GLY HA3 1 44 PHE HA 4.180 . 4.180 4.298 4.250 4.361 0.181 19 0 "[ . 1 . 2]" 2
179 1 110 ASP HA 1 111 PRO HA 4.450 . 4.450 4.394 4.262 4.490 0.040 9 0 "[ . 1 . 2]" 2
180 1 23 LYS QG 1 97 VAL HA 4.050 . 4.050 4.099 3.947 4.187 0.137 17 0 "[ . 1 . 2]" 2
181 1 80 THR HB 1 83 GLN HG3 3.430 . 3.430 2.691 2.143 3.163 . 0 0 "[ . 1 . 2]" 2
182 1 23 LYS QD 1 25 ARG HA 2.990 . 2.990 3.063 3.024 3.120 0.130 5 0 "[ . 1 . 2]" 2
183 1 47 ILE MG 1 49 SER HA 3.960 . 3.960 3.648 3.418 3.844 . 0 0 "[ . 1 . 2]" 2
184 1 49 SER HA 1 64 THR MG 4.150 . 4.150 2.340 2.126 2.537 . 0 0 "[ . 1 . 2]" 2
185 1 121 SER HA 1 122 VAL QG 3.400 . 3.400 3.454 3.241 3.530 0.130 4 0 "[ . 1 . 2]" 2
186 1 115 ASN HA 1 115 ASN HD21 2.610 . 2.610 2.056 1.745 2.616 0.055 20 0 "[ . 1 . 2]" 2
187 1 48 LYS HA 1 48 LYS HB3 2.400 . 2.400 2.440 2.382 2.496 0.096 13 0 "[ . 1 . 2]" 2
188 1 115 ASN HA 1 115 ASN HB3 2.400 . 2.400 2.437 2.395 2.515 0.115 3 0 "[ . 1 . 2]" 2
189 1 70 SER QB 1 71 VAL HA 5.500 . 5.500 4.138 3.837 4.554 . 0 0 "[ . 1 . 2]" 2
190 1 86 LYS HA 1 89 GLN HG2 5.210 . 5.210 4.779 2.125 5.371 0.161 17 0 "[ . 1 . 2]" 2
191 1 57 ALA HA 1 58 LEU MD2 4.610 . 5.610 4.648 3.939 4.923 . 0 0 "[ . 1 . 2]" 2
192 1 4 GLY QA 1 5 LYS HA 4.080 . 4.080 4.028 3.956 4.099 0.019 12 0 "[ . 1 . 2]" 2
193 1 83 GLN HA 1 86 LYS QB 4.570 . 4.570 2.801 2.531 4.084 . 0 0 "[ . 1 . 2]" 2
194 1 50 LEU H 1 64 THR HB 4.140 . 4.140 4.182 4.148 4.212 0.072 5 0 "[ . 1 . 2]" 2
195 1 69 VAL HA 1 77 LEU H 5.160 . 5.160 5.029 3.606 5.222 0.062 3 0 "[ . 1 . 2]" 2
196 1 31 PHE HA 1 55 PRO HD2 4.780 . 4.780 3.461 3.208 3.857 . 0 0 "[ . 1 . 2]" 2
197 1 111 PRO HD3 1 112 ASP HB2 4.830 . 4.830 4.232 3.868 4.506 . 0 0 "[ . 1 . 2]" 2
198 1 54 GLY H 1 55 PRO HD2 5.340 . 5.340 5.301 5.218 5.376 0.036 7 0 "[ . 1 . 2]" 2
199 1 9 THR HA 1 11 ASN H 4.270 . 4.270 4.374 4.219 4.569 0.299 6 0 "[ . 1 . 2]" 2
200 1 50 LEU H 1 64 THR HA 4.380 . 4.380 4.060 3.658 4.388 0.008 19 0 "[ . 1 . 2]" 2
201 1 41 PRO HD3 1 42 ASP HB3 4.680 . 4.680 4.835 4.722 4.906 0.226 2 0 "[ . 1 . 2]" 2
202 1 76 VAL H 1 79 HIS HB2 4.950 . 4.950 4.895 4.716 5.030 0.080 10 0 "[ . 1 . 2]" 2
203 1 79 HIS HB2 1 84 VAL HA 4.740 . 4.740 4.805 4.786 4.827 0.087 7 0 "[ . 1 . 2]" 2
204 1 47 ILE HB 1 65 GLY HA2 4.850 . 4.850 4.313 4.033 4.661 . 0 0 "[ . 1 . 2]" 2
205 1 31 PHE HB3 1 55 PRO HD3 3.190 . 3.190 3.328 3.263 3.366 0.176 4 0 "[ . 1 . 2]" 2
206 1 7 PHE QE 1 8 PHE HA 5.500 . 5.500 5.518 5.451 5.574 0.074 18 0 "[ . 1 . 2]" 2
207 1 8 PHE HA 1 8 PHE QE 5.340 . 5.340 4.819 4.733 4.902 . 0 0 "[ . 1 . 2]" 2
208 1 33 PHE QB 1 56 ALA MB 4.070 . 4.070 2.924 2.629 3.104 . 0 0 "[ . 1 . 2]" 2
209 1 72 ASN HB2 1 98 ASP H 4.980 . 4.980 2.829 1.760 4.324 0.040 4 0 "[ . 1 . 2]" 2
210 1 19 PHE QE 1 21 HIS QB 4.230 . 4.230 4.204 3.833 4.297 0.067 13 0 "[ . 1 . 2]" 2
211 1 79 HIS HB3 1 84 VAL HA 4.430 . 4.430 3.854 3.565 3.990 . 0 0 "[ . 1 . 2]" 2
212 1 20 ILE MG 1 21 HIS QB 5.220 . 5.220 5.101 4.713 5.363 0.143 12 0 "[ . 1 . 2]" 2
213 1 84 VAL QG 1 88 PHE HB3 4.220 . 4.220 4.170 4.024 4.262 0.042 17 0 "[ . 1 . 2]" 2
214 1 88 PHE HB3 2 11 VAL QG 4.240 . 4.240 2.053 1.787 2.306 0.013 13 0 "[ . 1 . 2]" 2
215 1 26 LYS HA 1 31 PHE QE 4.570 . 4.570 4.129 3.192 4.661 0.091 2 0 "[ . 1 . 2]" 2
216 1 3 MET H 1 5 LYS QE 4.570 . 4.570 4.298 2.975 4.676 0.106 9 0 "[ . 1 . 2]" 2
217 1 3 MET HA 1 5 LYS QE 3.960 . 3.960 3.035 1.914 4.095 0.135 12 0 "[ . 1 . 2]" 2
218 1 125 LEU H 1 127 LYS QE 4.380 . 4.380 4.090 2.660 4.548 0.168 4 0 "[ . 1 . 2]" 2
219 1 83 GLN HB3 1 86 LYS QE 4.120 . 4.120 3.801 3.326 4.185 0.065 13 0 "[ . 1 . 2]" 2
220 1 18 LYS HA 1 19 PHE HB3 4.220 . 4.220 4.247 4.175 4.279 0.059 10 0 "[ . 1 . 2]" 2
221 1 19 PHE HB3 1 20 ILE H 4.250 . 4.250 4.281 4.237 4.315 0.065 4 0 "[ . 1 . 2]" 2
222 1 52 LEU HA 1 53 ASP HB2 4.680 . 4.680 4.762 4.718 4.796 0.116 6 0 "[ . 1 . 2]" 2
223 1 8 PHE QD 1 42 ASP HA 5.390 . 5.390 3.249 2.492 4.581 . 0 0 "[ . 1 . 2]" 2
224 1 8 PHE HZ 1 42 ASP HA 5.030 . 5.030 3.539 2.085 5.101 0.071 15 0 "[ . 1 . 2]" 2
225 1 38 GLY HA2 1 39 ASP HB2 5.020 . 5.020 4.617 4.440 4.817 . 0 0 "[ . 1 . 2]" 2
226 1 26 LYS QE 1 96 SER QB 4.770 . 4.770 4.380 3.882 4.911 0.141 14 0 "[ . 1 . 2]" 2
227 1 72 ASN HA 1 98 ASP HB3 4.530 . 4.530 3.969 2.342 4.564 0.034 9 0 "[ . 1 . 2]" 2
228 1 8 PHE HB2 1 44 PHE HZ 4.860 . 4.860 4.177 3.427 4.891 0.031 18 0 "[ . 1 . 2]" 2
229 1 66 ASP HB2 1 101 LEU QD 4.440 . 4.440 2.435 2.024 2.761 . 0 0 "[ . 1 . 2]" 2
230 1 80 THR HB 1 83 GLN HB2 4.010 . 4.010 2.683 2.400 3.114 . 0 0 "[ . 1 . 2]" 2
231 1 31 PHE HB2 1 33 PHE QD 4.380 . 4.380 4.104 3.812 4.385 0.005 5 0 "[ . 1 . 2]" 2
232 1 31 PHE HB2 1 33 PHE QE 4.090 . 4.090 3.693 3.360 3.978 . 0 0 "[ . 1 . 2]" 2
233 1 30 GLY HA2 1 31 PHE HB2 4.680 . 4.680 4.343 4.169 4.576 . 0 0 "[ . 1 . 2]" 2
234 1 7 PHE QE 1 14 GLU HB2 3.810 . 3.810 3.780 3.475 3.848 0.038 13 0 "[ . 1 . 2]" 2
235 1 7 PHE HB2 1 14 GLU HB2 3.670 . 3.670 3.730 3.691 3.786 0.116 12 0 "[ . 1 . 2]" 2
236 1 31 PHE HB2 1 91 ILE MD 4.390 . 4.390 4.605 4.426 4.727 0.337 10 0 "[ . 1 . 2]" 2
237 1 79 HIS HD2 1 83 GLN HG3 5.500 . 5.500 4.540 4.303 4.920 . 0 0 "[ . 1 . 2]" 2
238 1 43 GLU HA 1 43 GLU HG2 3.750 . 3.750 3.477 2.996 3.798 0.048 3 0 "[ . 1 . 2]" 2
239 1 37 GLY HA3 1 43 GLU HG2 5.050 . 5.050 3.611 2.608 4.916 . 0 0 "[ . 1 . 2]" 2
240 1 46 GLN HG2 1 67 VAL HA 4.020 . 4.020 3.416 2.378 3.976 . 0 0 "[ . 1 . 2]" 2
241 1 12 PRO HA 1 14 GLU QG 4.250 . 4.250 4.302 4.253 4.341 0.091 16 0 "[ . 1 . 2]" 2
242 1 46 GLN H 1 46 GLN HG2 4.380 . 4.380 4.429 4.290 4.498 0.118 13 0 "[ . 1 . 2]" 2
243 1 46 GLN HG2 1 68 ILE H 5.210 . 5.210 4.929 4.122 5.287 0.077 15 0 "[ . 1 . 2]" 2
244 1 40 GLU HG2 1 42 ASP H 4.790 . 4.790 4.611 4.063 4.846 0.056 7 0 "[ . 1 . 2]" 2
245 1 8 PHE HA 1 14 GLU QG 4.050 . 4.050 4.004 3.717 4.097 0.047 17 0 "[ . 1 . 2]" 2
246 1 39 ASP HB3 1 40 GLU HG2 4.020 . 4.020 2.098 1.876 2.842 . 0 0 "[ . 1 . 2]" 2
247 1 8 PHE HB3 1 9 THR H 4.100 . 4.100 4.189 4.151 4.221 0.121 20 0 "[ . 1 . 2]" 2
248 1 88 PHE QD 2 11 VAL HB 4.690 . 4.690 2.601 2.095 3.177 . 0 0 "[ . 1 . 2]" 2
249 1 63 GLU QG 1 64 THR H 4.050 . 4.050 3.838 3.217 4.094 0.044 14 0 "[ . 1 . 2]" 2
250 1 89 GLN H 1 89 GLN QB 3.730 . 3.730 2.333 2.069 2.747 . 0 0 "[ . 1 . 2]" 2
251 1 47 ILE HB 1 48 LYS H 4.220 . 4.220 4.095 3.917 4.240 0.020 19 0 "[ . 1 . 2]" 2
252 1 12 PRO HB3 1 19 PHE QE 3.400 . 3.400 2.997 2.577 3.195 . 0 0 "[ . 1 . 2]" 2
253 1 40 GLU HB2 1 42 ASP H 4.840 . 4.840 3.101 2.038 4.174 . 0 0 "[ . 1 . 2]" 2
254 1 79 HIS HB2 1 84 VAL HB 4.450 . 4.450 3.114 2.943 3.289 . 0 0 "[ . 1 . 2]" 2
255 1 77 LEU H 1 77 LEU HB2 3.900 . 3.900 2.200 2.123 2.592 . 0 0 "[ . 1 . 2]" 2
256 1 80 THR HB 1 83 GLN HB3 5.010 . 5.010 4.031 3.803 4.393 . 0 0 "[ . 1 . 2]" 2
257 1 6 PRO HB3 1 7 PHE H 3.690 . 3.690 3.643 2.770 3.806 0.116 20 0 "[ . 1 . 2]" 2
258 1 45 LEU HG 1 46 GLN H 4.800 . 4.800 4.248 4.074 4.541 . 0 0 "[ . 1 . 2]" 2
259 1 128 GLU HB3 1 129 PRO HD3 4.810 . 4.810 4.353 3.481 4.783 . 0 0 "[ . 1 . 2]" 2
260 1 38 GLY HA2 1 45 LEU HG 4.270 . 4.270 3.175 2.999 3.290 . 0 0 "[ . 1 . 2]" 2
261 1 39 ASP H 1 45 LEU HG 5.020 . 5.020 4.871 4.575 5.109 0.089 13 0 "[ . 1 . 2]" 2
262 1 72 ASN HB3 1 97 VAL HB 3.860 . 3.860 3.499 2.180 4.190 0.330 12 0 "[ . 1 . 2]" 2
263 1 15 LEU HB3 1 105 TYR QE 4.590 . 4.590 2.948 1.921 4.613 0.023 20 0 "[ . 1 . 2]" 2
264 1 68 ILE HA 1 69 VAL HB 4.830 . 4.830 4.384 4.226 4.535 . 0 0 "[ . 1 . 2]" 2
265 1 58 LEU HB2 1 59 ASP H 4.060 . 4.060 2.455 2.261 2.638 . 0 0 "[ . 1 . 2]" 2
266 1 32 GLY HA3 1 51 VAL HB 3.800 . 3.800 3.149 2.862 3.261 . 0 0 "[ . 1 . 2]" 2
267 1 58 LEU H 1 58 LEU HB2 3.340 . 3.340 2.207 2.040 2.254 . 0 0 "[ . 1 . 2]" 2
268 1 50 LEU H 1 50 LEU HB2 3.840 . 3.840 2.838 2.180 3.669 . 0 0 "[ . 1 . 2]" 2
269 1 125 LEU H 1 127 LYS QD 4.450 . 4.450 4.047 2.744 4.553 0.103 9 0 "[ . 1 . 2]" 2
270 1 17 GLY HA3 1 18 LYS QD 4.200 . 4.200 3.452 2.871 4.240 0.040 17 0 "[ . 1 . 2]" 2
271 1 56 ALA MB 1 59 ASP HB3 5.210 . 5.210 5.010 4.702 5.214 0.004 20 0 "[ . 1 . 2]" 2
272 1 10 ARG HB3 1 10 ARG QD 3.770 . 3.770 2.388 2.044 3.463 . 0 0 "[ . 1 . 2]" 2
273 1 10 ARG HB3 1 11 ASN H 4.030 . 4.030 4.027 3.706 4.215 0.185 2 0 "[ . 1 . 2]" 2
274 1 93 ILE H 1 93 ILE HG12 3.580 . 3.580 3.138 2.900 3.322 . 0 0 "[ . 1 . 2]" 2
275 1 82 ALA MB 1 83 GLN HA 4.220 . 4.220 3.786 3.712 3.868 . 0 0 "[ . 1 . 2]" 2
276 1 99 LEU QB 1 100 GLU H 4.380 . 4.380 3.551 3.156 3.844 . 0 0 "[ . 1 . 2]" 2
277 1 18 LYS HA 1 18 LYS HG2 3.950 . 3.950 3.527 3.181 3.651 . 0 0 "[ . 1 . 2]" 2
278 1 62 MET HA 1 101 LEU HG 4.990 . 4.990 4.942 3.894 5.166 0.176 15 0 "[ . 1 . 2]" 2
279 1 101 LEU HG 1 103 ARG HD3 5.410 . 5.410 5.403 4.417 5.550 0.140 17 0 "[ . 1 . 2]" 2
280 1 2 ALA MB 1 3 MET HA 4.900 . 4.900 4.185 3.547 4.875 . 0 0 "[ . 1 . 2]" 2
281 1 15 LEU HA 1 16 LYS HG2 5.000 . 5.000 3.868 3.494 5.007 0.007 14 0 "[ . 1 . 2]" 2
282 1 38 GLY H 1 45 LEU HB3 4.200 . 4.200 4.328 4.267 4.384 0.184 10 0 "[ . 1 . 2]" 2
283 1 23 LYS QG 1 98 ASP HA 4.480 . 4.480 3.604 2.915 3.825 . 0 0 "[ . 1 . 2]" 2
284 1 25 ARG HG2 1 94 GLY QA 4.250 . 4.250 3.611 3.076 3.888 . 0 0 "[ . 1 . 2]" 2
285 1 33 PHE QB 1 50 LEU HB3 4.920 . 4.920 4.676 3.064 5.064 0.144 7 0 "[ . 1 . 2]" 2
286 1 101 LEU QB 1 102 CYS H 5.040 . 5.040 2.508 2.319 2.691 . 0 0 "[ . 1 . 2]" 2
287 1 68 ILE HA 1 101 LEU QB 5.120 . 5.120 2.495 2.106 4.354 . 0 0 "[ . 1 . 2]" 2
288 1 20 ILE QG 1 22 THR H 4.210 . 4.210 4.284 4.226 4.365 0.155 14 0 "[ . 1 . 2]" 2
289 1 18 LYS HA 1 18 LYS HG3 4.190 . 4.190 4.160 3.831 4.256 0.066 12 0 "[ . 1 . 2]" 2
290 1 25 ARG HG3 1 96 SER QB 3.960 . 3.960 3.517 3.128 3.996 0.036 10 0 "[ . 1 . 2]" 2
291 1 16 LYS HG3 1 17 GLY HA3 4.100 . 4.100 3.750 3.348 4.179 0.079 3 0 "[ . 1 . 2]" 2
292 1 80 THR MG 1 81 HIS HA 4.470 . 4.470 4.287 4.142 4.369 . 0 0 "[ . 1 . 2]" 2
293 1 91 ILE MG 1 96 SER H 5.000 . 5.000 5.171 5.021 5.266 0.266 9 0 "[ . 1 . 2]" 2
294 1 26 LYS HD3 1 91 ILE MG 3.650 . 3.650 3.568 2.958 3.852 0.202 6 0 "[ . 1 . 2]" 2
295 1 15 LEU MD2 1 16 LYS HG3 4.890 . 4.890 4.940 4.896 5.015 0.125 20 0 "[ . 1 . 2]" 2
296 1 91 ILE MG 1 95 ALA H 4.940 . 4.940 4.624 4.239 5.141 0.201 20 0 "[ . 1 . 2]" 2
297 1 23 LYS QG 1 96 SER QB . . 4.540 3.410 2.401 3.967 . 0 0 "[ . 1 . 2]" 2
298 1 20 ILE QG 1 101 LEU H 4.620 . 4.620 3.459 3.127 3.750 . 0 0 "[ . 1 . 2]" 2
299 1 119 VAL HA 1 120 THR MG 3.860 . 3.860 3.830 3.487 3.940 0.080 16 0 "[ . 1 . 2]" 2
300 1 36 VAL MG1 1 47 ILE HA 5.340 . 5.340 5.143 4.296 5.370 0.030 11 0 "[ . 1 . 2]" 2
301 1 26 LYS HB3 1 27 SER H 4.220 . 4.220 3.600 3.349 3.791 . 0 0 "[ . 1 . 2]" 2
302 1 26 LYS HB3 1 93 ILE HA 4.430 . 4.430 3.025 2.867 3.169 . 0 0 "[ . 1 . 2]" 2
303 1 28 SER HA 1 93 ILE HG13 4.410 . 4.410 3.861 3.498 4.423 0.013 1 0 "[ . 1 . 2]" 2
304 1 33 PHE H 1 34 THR MG 5.260 . 5.260 3.917 3.776 4.100 . 0 0 "[ . 1 . 2]" 2
305 1 30 GLY HA2 1 91 ILE MD 5.500 . 5.500 2.586 2.020 3.141 . 0 0 "[ . 1 . 2]" 2
306 1 80 THR H 1 84 VAL QG 4.580 . 4.580 4.476 4.348 4.600 0.020 16 0 "[ . 1 . 2]" 2
307 1 87 ILE H 1 87 ILE HG13 3.900 . 3.900 2.280 2.172 2.410 . 0 0 "[ . 1 . 2]" 2
308 1 83 GLN HB2 1 84 VAL QG 4.720 . 4.720 3.823 3.613 3.923 . 0 0 "[ . 1 . 2]" 2
309 1 81 HIS HA 1 84 VAL QG 3.470 . 3.470 1.910 1.805 2.018 . 0 0 "[ . 1 . 2]" 2
310 1 19 PHE HZ 1 69 VAL MG1 4.270 . 4.270 3.808 3.107 4.275 0.005 10 0 "[ . 1 . 2]" 2
311 1 15 LEU HB2 1 15 LEU MD1 3.350 . 3.350 2.298 2.235 2.357 . 0 0 "[ . 1 . 2]" 2
312 1 9 THR MG 1 11 ASN H 4.270 . 4.270 2.677 1.774 3.313 0.026 16 0 "[ . 1 . 2]" 2
313 1 50 LEU MD1 1 52 LEU MD2 3.100 . 3.100 3.037 2.372 3.239 0.139 20 0 "[ . 1 . 2]" 2
314 1 35 VAL MG2 1 47 ILE HA 4.050 . 4.050 3.640 2.595 4.344 0.294 8 0 "[ . 1 . 2]" 2
315 1 35 VAL MG2 1 47 ILE MD 4.390 . 4.390 3.166 2.149 4.157 . 0 0 "[ . 1 . 2]" 2
316 1 51 VAL MG2 1 52 LEU H 4.410 . 4.410 4.032 3.864 4.244 . 0 0 "[ . 1 . 2]" 2
317 1 33 PHE H 1 51 VAL MG2 4.620 . 4.620 3.375 3.061 3.559 . 0 0 "[ . 1 . 2]" 2
318 1 45 LEU HA 1 45 LEU MD2 4.340 . 4.340 3.654 3.495 3.784 . 0 0 "[ . 1 . 2]" 2
319 1 33 PHE QB 1 51 VAL MG2 4.920 . 4.920 3.535 3.404 3.676 . 0 0 "[ . 1 . 2]" 2
320 1 84 VAL HA 1 87 ILE MD 3.470 . 3.470 3.043 2.729 3.397 . 0 0 "[ . 1 . 2]" 2
321 1 58 LEU HA 1 58 LEU MD1 4.040 . 4.040 3.272 2.084 3.364 . 0 0 "[ . 1 . 2]" 2
322 1 28 SER HA 1 93 ILE MG 3.640 . 3.640 2.505 1.981 3.323 . 0 0 "[ . 1 . 2]" 2
323 1 68 ILE HA 1 69 VAL MG2 4.830 . 4.830 3.419 3.232 3.569 . 0 0 "[ . 1 . 2]" 2
324 1 19 PHE QE 1 69 VAL MG2 4.540 . 4.540 3.578 3.212 3.880 . 0 0 "[ . 1 . 2]" 2
325 1 69 VAL MG2 1 101 LEU HA 4.750 . 4.750 2.144 1.993 2.832 . 0 0 "[ . 1 . 2]" 2
326 1 67 VAL MG2 1 69 VAL MG2 3.660 . 3.660 2.726 2.062 3.064 . 0 0 "[ . 1 . 2]" 2
327 1 19 PHE HZ 1 69 VAL MG2 5.390 . 5.390 4.846 4.409 5.343 . 0 0 "[ . 1 . 2]" 2
328 1 44 PHE QE 1 77 LEU MD2 5.500 . 5.500 4.080 3.108 4.903 . 0 0 "[ . 1 . 2]" 2
329 1 11 ASN HA 1 77 LEU MD2 5.000 . 5.000 3.621 2.997 4.222 . 0 0 "[ . 1 . 2]" 2
330 1 66 ASP HB3 1 101 LEU QD 4.140 . 4.140 2.333 1.891 3.411 . 0 0 "[ . 1 . 2]" 2
331 1 33 PHE QB 1 47 ILE MG 4.140 . 4.140 2.253 2.102 2.404 . 0 0 "[ . 1 . 2]" 2
332 1 22 THR MG 1 101 LEU QD 4.040 . 4.040 2.063 1.855 2.704 . 0 0 "[ . 1 . 2]" 2
333 1 96 SER HA 1 97 VAL MG2 4.520 . 4.520 3.652 3.441 4.084 . 0 0 "[ . 1 . 2]" 2
334 1 22 THR H 1 99 LEU MD2 5.390 . 5.390 4.736 4.320 5.137 . 0 0 "[ . 1 . 2]" 2
335 1 69 VAL HA 1 76 VAL QG 5.260 . 5.260 4.597 3.540 5.216 . 0 0 "[ . 1 . 2]" 2
336 1 44 PHE QE 1 67 VAL MG2 5.500 . 5.500 4.738 4.395 5.363 . 0 0 "[ . 1 . 2]" 2
337 1 46 GLN HG2 1 67 VAL MG2 5.500 . 5.500 4.679 2.902 5.665 0.165 18 0 "[ . 1 . 2]" 2
338 1 33 PHE QB 1 47 ILE MD 5.500 . 5.500 3.229 2.712 4.499 . 0 0 "[ . 1 . 2]" 2
339 1 33 PHE QD 1 47 ILE MD 4.240 . 4.240 2.265 1.908 3.428 . 0 0 "[ . 1 . 2]" 2
340 1 33 PHE QE 1 47 ILE MD 4.640 . 4.640 2.555 2.199 2.938 . 0 0 "[ . 1 . 2]" 2
341 1 33 PHE HZ 2 11 VAL QG 5.050 . 5.050 3.030 2.870 3.226 . 0 0 "[ . 1 . 2]" 2
342 1 31 PHE HB3 2 11 VAL QG 4.830 . 4.830 2.861 2.563 4.163 . 0 0 "[ . 1 . 2]" 2
343 1 31 PHE HB2 2 11 VAL QG . . 4.670 2.146 1.885 3.275 . 0 0 "[ . 1 . 2]" 2
344 1 35 VAL MG2 1 48 LYS H 5.310 . 5.310 4.521 3.836 5.193 . 0 0 "[ . 1 . 2]" 2
345 1 75 CYS H 1 76 VAL H 5.120 . 5.120 3.886 3.681 4.312 . 0 0 "[ . 1 . 2]" 2
346 1 74 THR H 1 75 CYS H 4.810 . 4.810 4.388 4.058 4.498 . 0 0 "[ . 1 . 2]" 2
347 1 75 CYS H 1 75 CYS HB3 3.810 . 3.810 2.486 2.357 2.557 . 0 0 "[ . 1 . 2]" 2
348 1 69 VAL H 1 102 CYS H 5.240 . 5.240 4.131 3.913 4.408 . 0 0 "[ . 1 . 2]" 2
349 1 69 VAL H 1 100 GLU H 5.060 . 5.060 4.628 4.238 4.827 . 0 0 "[ . 1 . 2]" 2
350 1 72 ASN H 1 72 ASN HD21 5.500 . 5.500 4.680 2.184 5.550 0.050 5 0 "[ . 1 . 2]" 2
351 1 72 ASN H 1 98 ASP HB3 3.910 . 3.910 3.797 2.235 4.027 0.117 12 0 "[ . 1 . 2]" 2
352 1 26 LYS H 1 95 ALA H 5.130 . 5.130 3.700 3.422 3.851 . 0 0 "[ . 1 . 2]" 2
353 1 26 LYS H 1 31 PHE QE 5.210 . 5.210 4.382 3.181 5.302 0.092 10 0 "[ . 1 . 2]" 2
354 1 26 LYS H 1 96 SER HA 4.280 . 4.280 2.802 2.564 3.005 . 0 0 "[ . 1 . 2]" 2
355 1 26 LYS H 1 97 VAL H 5.100 . 5.100 4.075 3.843 4.352 . 0 0 "[ . 1 . 2]" 2
356 1 26 LYS H 1 27 SER H 5.160 . 5.160 4.210 4.126 4.260 . 0 0 "[ . 1 . 2]" 2
357 1 26 LYS H 1 26 LYS HD3 4.610 . 4.610 2.596 1.783 3.670 0.017 12 0 "[ . 1 . 2]" 2
358 1 20 ILE H 1 101 LEU H 4.410 . 4.410 3.326 3.205 3.618 . 0 0 "[ . 1 . 2]" 2
359 1 21 HIS H 1 101 LEU H 5.190 . 5.190 4.926 4.762 5.065 . 0 0 "[ . 1 . 2]" 2
360 1 22 THR H 1 101 LEU H 4.950 . 4.950 4.260 4.067 4.467 . 0 0 "[ . 1 . 2]" 2
361 1 100 GLU H 1 101 LEU H 4.890 . 4.890 4.272 4.122 4.359 . 0 0 "[ . 1 . 2]" 2
362 1 101 LEU H 1 101 LEU HG 4.300 . 4.300 3.717 2.650 4.341 0.041 14 0 "[ . 1 . 2]" 2
363 1 118 LEU H 1 118 LEU HG 3.480 . 3.480 2.996 2.137 3.669 0.189 10 0 "[ . 1 . 2]" 2
364 1 23 LYS H 1 99 LEU H 5.200 . 5.200 4.415 4.267 4.634 . 0 0 "[ . 1 . 2]" 2
365 1 23 LYS H 1 23 LYS QB 3.350 . 3.350 2.209 2.150 2.285 . 0 0 "[ . 1 . 2]" 2
366 1 68 ILE H 1 68 ILE HG12 4.480 . 4.480 2.565 2.237 3.923 . 0 0 "[ . 1 . 2]" 2
367 1 68 ILE H 1 68 ILE MD 4.710 . 4.710 3.504 3.284 4.252 . 0 0 "[ . 1 . 2]" 2
368 1 46 GLN HA 1 68 ILE H 4.490 . 4.490 2.423 2.274 2.552 . 0 0 "[ . 1 . 2]" 2
369 1 26 LYS HG3 1 27 SER H 4.830 . 4.830 4.004 3.475 4.298 . 0 0 "[ . 1 . 2]" 2
370 1 90 SER QB 1 91 ILE H 4.840 . 4.840 3.315 2.876 3.894 . 0 0 "[ . 1 . 2]" 2
371 1 91 ILE H 1 91 ILE HG12 3.720 . 3.720 3.000 1.769 3.619 0.031 1 0 "[ . 1 . 2]" 2
372 1 91 ILE H 1 91 ILE HG13 4.320 . 4.320 2.482 2.227 2.764 . 0 0 "[ . 1 . 2]" 2
373 1 27 SER H 1 55 PRO HB2 5.210 . 5.210 5.253 5.131 5.304 0.094 10 0 "[ . 1 . 2]" 2
374 1 72 ASN H 1 98 ASP H 4.400 . 4.400 2.874 2.529 4.039 . 0 0 "[ . 1 . 2]" 2
375 1 98 ASP H 1 99 LEU H 4.180 . 4.180 4.147 4.040 4.239 0.059 12 0 "[ . 1 . 2]" 2
376 1 72 ASN HD22 1 98 ASP H 5.000 . 5.000 4.232 1.758 4.839 0.042 12 0 "[ . 1 . 2]" 2
377 1 72 ASN HA 1 98 ASP H 4.320 . 4.320 3.307 2.118 4.206 . 0 0 "[ . 1 . 2]" 2
378 1 98 ASP H 1 98 ASP HB3 3.490 . 3.490 3.414 2.403 3.549 0.059 19 0 "[ . 1 . 2]" 2
379 1 98 ASP H 1 99 LEU MD1 4.980 . 4.980 4.803 4.251 5.103 0.123 12 0 "[ . 1 . 2]" 2
380 1 65 GLY H 1 66 ASP H 3.700 . 3.700 2.337 2.129 2.651 . 0 0 "[ . 1 . 2]" 2
381 1 66 ASP H 1 67 VAL H 5.100 . 5.100 4.551 4.462 4.653 . 0 0 "[ . 1 . 2]" 2
382 1 64 THR HA 1 66 ASP H 4.160 . 4.160 3.515 3.230 3.999 . 0 0 "[ . 1 . 2]" 2
383 1 66 ASP H 1 66 ASP HB3 4.000 . 4.000 3.472 2.870 3.687 . 0 0 "[ . 1 . 2]" 2
384 1 47 ILE HB 1 66 ASP H 4.020 . 4.020 2.819 2.604 3.211 . 0 0 "[ . 1 . 2]" 2
385 1 64 THR MG 1 66 ASP H 5.500 . 5.500 4.630 4.403 5.003 . 0 0 "[ . 1 . 2]" 2
386 1 47 ILE MG 1 66 ASP H 4.490 . 4.490 4.052 3.746 4.395 . 0 0 "[ . 1 . 2]" 2
387 1 57 ALA H 1 58 LEU MD2 5.500 . 5.500 4.661 2.965 4.942 . 0 0 "[ . 1 . 2]" 2
388 1 50 LEU MD1 1 57 ALA H 5.230 . 5.230 2.906 2.392 4.060 . 0 0 "[ . 1 . 2]" 2
389 1 18 LYS H 1 19 PHE H 4.610 . 4.610 4.318 4.088 4.398 . 0 0 "[ . 1 . 2]" 2
390 1 18 LYS HG3 1 19 PHE H 4.740 . 4.740 4.583 4.203 4.845 0.105 10 0 "[ . 1 . 2]" 2
391 1 19 PHE H 1 19 PHE HB3 3.300 . 3.300 2.389 2.253 2.594 . 0 0 "[ . 1 . 2]" 2
392 1 47 ILE H 1 66 ASP H 4.720 . 4.720 3.977 3.621 4.279 . 0 0 "[ . 1 . 2]" 2
393 1 66 ASP H 1 107 LEU MD2 5.500 . 5.500 4.892 4.381 5.509 0.009 1 0 "[ . 1 . 2]" 2
394 1 18 LYS HG2 1 19 PHE H 4.570 . 4.570 4.353 3.905 4.716 0.146 10 0 "[ . 1 . 2]" 2
395 1 119 VAL H 2 5 THR HA 4.710 . 4.710 4.439 2.778 4.819 0.109 19 0 "[ . 1 . 2]" 2
396 1 118 LEU MD2 1 119 VAL H 3.870 . 3.870 3.876 3.578 3.975 0.105 19 0 "[ . 1 . 2]" 2
397 1 21 HIS H 1 21 HIS QB 3.390 . 3.390 2.653 2.213 3.169 . 0 0 "[ . 1 . 2]" 2
398 1 20 ILE H 1 21 HIS H 5.230 . 5.230 4.337 4.270 4.381 . 0 0 "[ . 1 . 2]" 2
399 1 127 LYS H 1 128 GLU H 4.200 . 4.200 3.890 2.691 4.340 0.140 3 0 "[ . 1 . 2]" 2
400 1 128 GLU H 1 128 GLU HB3 3.840 . 3.840 3.042 2.335 3.649 . 0 0 "[ . 1 . 2]" 2
401 1 93 ILE HA 1 95 ALA H 3.990 . 3.990 3.494 3.302 3.665 . 0 0 "[ . 1 . 2]" 2
402 1 7 PHE H 1 8 PHE H 4.340 . 4.340 4.386 4.347 4.452 0.112 1 0 "[ . 1 . 2]" 2
403 1 22 THR H 1 99 LEU H 3.870 . 3.870 3.462 3.264 3.828 . 0 0 "[ . 1 . 2]" 2
404 1 97 VAL MG2 1 99 LEU H 4.720 . 4.720 3.882 3.271 4.349 . 0 0 "[ . 1 . 2]" 2
405 1 20 ILE H 1 103 ARG H 5.240 . 5.240 4.095 3.929 4.270 . 0 0 "[ . 1 . 2]" 2
406 1 20 ILE H 1 102 CYS HA 4.340 . 4.340 3.086 2.847 3.390 . 0 0 "[ . 1 . 2]" 2
407 1 20 ILE H 1 20 ILE MD 4.410 . 4.410 1.952 1.838 2.101 . 0 0 "[ . 1 . 2]" 2
408 1 8 PHE H 1 8 PHE QD 5.080 . 5.080 4.100 3.976 4.193 . 0 0 "[ . 1 . 2]" 2
409 1 7 PHE HB2 1 8 PHE H 4.560 . 4.560 3.014 2.520 3.548 . 0 0 "[ . 1 . 2]" 2
410 1 7 PHE HB3 1 8 PHE H 4.790 . 4.790 3.873 3.448 4.249 . 0 0 "[ . 1 . 2]" 2
411 1 8 PHE H 1 8 PHE HB3 4.020 . 4.020 2.761 2.674 2.854 . 0 0 "[ . 1 . 2]" 2
412 1 103 ARG HA 1 105 TYR H 4.580 . 4.580 3.394 3.013 3.760 . 0 0 "[ . 1 . 2]" 2
413 1 97 VAL HA 1 99 LEU H 5.500 . 5.500 5.557 5.514 5.595 0.095 16 0 "[ . 1 . 2]" 2
414 1 99 LEU H 1 99 LEU QB 3.750 . 3.750 2.330 2.183 2.534 . 0 0 "[ . 1 . 2]" 2
415 1 24 LEU MD1 1 99 LEU H 4.850 . 4.850 4.631 4.142 4.857 0.007 3 0 "[ . 1 . 2]" 2
416 1 16 LYS QD 1 105 TYR H 5.500 . 5.500 5.310 4.561 5.576 0.076 18 0 "[ . 1 . 2]" 2
417 1 44 PHE HB2 1 45 LEU H 4.650 . 4.650 3.275 3.116 3.509 . 0 0 "[ . 1 . 2]" 2
418 1 45 LEU H 1 67 VAL MG2 5.320 . 5.320 3.793 3.322 5.280 . 0 0 "[ . 1 . 2]" 2
419 1 77 LEU H 1 78 GLY H 5.130 . 5.130 4.295 4.252 4.356 . 0 0 "[ . 1 . 2]" 2
420 1 44 PHE H 1 45 LEU H 4.960 . 4.960 4.623 4.569 4.730 . 0 0 "[ . 1 . 2]" 2
421 1 24 LEU H 1 25 ARG H 5.290 . 5.290 4.205 4.002 4.298 . 0 0 "[ . 1 . 2]" 2
422 1 25 ARG H 1 96 SER HA 5.050 . 5.050 4.846 4.685 5.005 . 0 0 "[ . 1 . 2]" 2
423 1 23 LYS QD 1 25 ARG H 3.570 . 3.570 3.038 2.818 3.228 . 0 0 "[ . 1 . 2]" 2
424 1 24 LEU HB3 1 25 ARG H 3.850 . 3.850 3.521 3.344 3.700 . 0 0 "[ . 1 . 2]" 2
425 1 33 PHE HA 1 51 VAL H 4.650 . 4.650 1.975 1.811 2.154 . 0 0 "[ . 1 . 2]" 2
426 1 50 LEU HB3 1 51 VAL H 4.690 . 4.690 4.350 3.822 4.497 . 0 0 "[ . 1 . 2]" 2
427 1 50 LEU MD1 1 51 VAL H 3.960 . 3.960 2.921 2.272 4.003 0.043 1 0 "[ . 1 . 2]" 2
428 1 78 GLY H 1 79 HIS H 3.790 . 3.790 2.618 2.369 2.779 . 0 0 "[ . 1 . 2]" 2
429 1 79 HIS H 1 80 THR H 4.950 . 4.950 4.462 4.132 4.534 . 0 0 "[ . 1 . 2]" 2
430 1 79 HIS H 1 79 HIS HB2 3.990 . 3.990 2.154 1.988 2.241 . 0 0 "[ . 1 . 2]" 2
431 1 79 HIS H 1 79 HIS HB3 4.140 . 4.140 3.073 3.008 3.196 . 0 0 "[ . 1 . 2]" 2
432 1 126 ASP H 1 127 LYS H 4.180 . 4.180 3.792 2.510 4.288 0.108 10 0 "[ . 1 . 2]" 2
433 1 24 LEU H 1 97 VAL H 3.660 . 3.660 2.940 2.822 3.050 . 0 0 "[ . 1 . 2]" 2
434 1 23 LYS QD 1 24 LEU H 4.110 . 4.110 2.855 2.576 3.037 . 0 0 "[ . 1 . 2]" 2
435 1 79 HIS H 1 84 VAL HB 4.550 . 4.550 4.677 4.638 4.756 0.206 10 0 "[ . 1 . 2]" 2
436 1 125 LEU HA 1 126 ASP H 3.190 . 3.190 2.636 2.041 3.358 0.168 11 0 "[ . 1 . 2]" 2
437 1 125 LEU QB 1 126 ASP H 3.600 . 3.600 2.579 1.762 3.649 0.049 8 0 "[ . 1 . 2]" 2
438 1 122 VAL H 1 122 VAL QG 3.850 . 3.850 2.060 1.786 2.434 0.014 4 0 "[ . 1 . 2]" 2
439 1 7 PHE H 1 7 PHE QD 4.500 . 4.500 2.472 1.797 2.976 0.003 2 0 "[ . 1 . 2]" 2
440 1 7 PHE H 1 7 PHE HB3 3.670 . 3.670 2.914 2.491 3.195 . 0 0 "[ . 1 . 2]" 2
441 1 5 LYS H 1 5 LYS HB2 3.740 . 3.740 2.518 2.362 2.727 . 0 0 "[ . 1 . 2]" 2
442 1 5 LYS H 1 5 LYS QD 3.520 . 3.520 2.491 2.020 2.979 . 0 0 "[ . 1 . 2]" 2
443 1 5 LYS H 1 5 LYS QG 4.100 . 4.100 3.612 3.161 3.959 . 0 0 "[ . 1 . 2]" 2
444 1 112 ASP H 1 113 ASP H 3.250 . 3.250 2.058 1.840 2.330 . 0 0 "[ . 1 . 2]" 2
445 1 113 ASP H 1 114 PRO QD 4.270 . 4.270 4.179 3.814 4.373 0.103 10 0 "[ . 1 . 2]" 2
446 1 113 ASP H 1 113 ASP HB3 3.340 . 3.340 2.478 2.314 2.695 . 0 0 "[ . 1 . 2]" 2
447 1 112 ASP HB3 1 113 ASP H 4.000 . 4.000 2.873 2.208 3.915 . 0 0 "[ . 1 . 2]" 2
448 1 121 SER HA 1 122 VAL H 2.930 . 2.930 2.172 2.023 2.725 . 0 0 "[ . 1 . 2]" 2
449 1 8 PHE QD 1 44 PHE H 4.900 . 4.900 4.880 4.257 4.977 0.077 13 0 "[ . 1 . 2]" 2
450 1 16 LYS H 1 16 LYS HB2 3.930 . 3.930 3.629 3.531 3.724 . 0 0 "[ . 1 . 2]" 2
451 1 4 GLY QA 1 5 LYS H 3.000 . 3.000 2.785 2.630 2.885 . 0 0 "[ . 1 . 2]" 2
452 1 5 LYS H 1 6 PRO HD3 5.070 . 5.070 4.912 4.596 5.113 0.043 8 0 "[ . 1 . 2]" 2
453 1 111 PRO HA 1 113 ASP H 4.870 . 4.870 3.854 3.348 4.656 . 0 0 "[ . 1 . 2]" 2
454 1 67 VAL H 1 102 CYS H 4.520 . 4.520 2.832 2.262 3.162 . 0 0 "[ . 1 . 2]" 2
455 1 7 PHE QE 1 16 LYS H 4.980 . 4.980 3.312 2.886 3.855 . 0 0 "[ . 1 . 2]" 2
456 1 15 LEU H 1 16 LYS H 4.360 . 4.360 4.423 4.387 4.462 0.102 14 0 "[ . 1 . 2]" 2
457 1 15 LEU HB2 1 16 LYS H 4.490 . 4.490 3.995 3.899 4.048 . 0 0 "[ . 1 . 2]" 2
458 1 99 LEU H 1 100 GLU H 4.790 . 4.790 4.326 4.224 4.424 . 0 0 "[ . 1 . 2]" 2
459 1 110 ASP H 1 113 ASP HB3 4.910 . 4.910 4.302 2.759 4.954 0.044 19 0 "[ . 1 . 2]" 2
460 1 107 LEU H 1 108 PRO HD3 5.190 . 5.190 3.766 3.262 4.274 . 0 0 "[ . 1 . 2]" 2
461 1 49 SER HA 1 50 LEU H 3.150 . 3.150 2.156 2.083 2.259 . 0 0 "[ . 1 . 2]" 2
462 1 50 LEU H 1 50 LEU HB3 4.060 . 4.060 2.304 2.030 3.049 . 0 0 "[ . 1 . 2]" 2
463 1 116 THR H 1 117 SER H 5.010 . 5.010 3.983 2.135 4.685 . 0 0 "[ . 1 . 2]" 2
464 1 35 VAL MG2 1 46 GLN H 4.170 . 4.170 3.150 2.124 4.233 0.063 8 0 "[ . 1 . 2]" 2
465 1 36 VAL H 1 46 GLN H 4.050 . 4.050 2.727 2.433 2.865 . 0 0 "[ . 1 . 2]" 2
466 1 46 GLN H 1 47 ILE H 5.280 . 5.280 4.290 4.191 4.384 . 0 0 "[ . 1 . 2]" 2
467 1 38 GLY H 1 39 ASP H 4.200 . 4.200 2.974 2.745 3.183 . 0 0 "[ . 1 . 2]" 2
468 1 107 LEU H 1 107 LEU HB2 3.300 . 3.300 2.324 1.988 2.610 . 0 0 "[ . 1 . 2]" 2
469 1 107 LEU H 1 107 LEU HB3 4.110 . 4.110 3.075 2.734 3.464 . 0 0 "[ . 1 . 2]" 2
470 1 107 LEU H 1 107 LEU MD2 4.280 . 4.280 3.528 2.622 4.096 . 0 0 "[ . 1 . 2]" 2
471 1 10 ARG HG3 1 11 ASN H 3.990 . 3.990 3.762 2.960 4.229 0.239 15 0 "[ . 1 . 2]" 2
472 1 10 ARG H 1 11 ASN H 3.480 . 3.480 2.332 1.650 2.696 0.150 1 0 "[ . 1 . 2]" 2
473 1 11 ASN H 1 12 PRO HD3 4.840 . 4.840 4.519 4.296 4.701 . 0 0 "[ . 1 . 2]" 2
474 1 84 VAL H 1 85 VAL H 3.860 . 3.860 2.733 2.694 2.827 . 0 0 "[ . 1 . 2]" 2
475 1 85 VAL H 1 86 LYS H 3.790 . 3.790 2.638 2.578 2.791 . 0 0 "[ . 1 . 2]" 2
476 1 85 VAL H 1 85 VAL HB 3.620 . 3.620 2.603 2.503 2.707 . 0 0 "[ . 1 . 2]" 2
477 1 85 VAL H 1 85 VAL QG 3.520 . 3.520 2.300 2.213 2.391 . 0 0 "[ . 1 . 2]" 2
478 1 71 VAL H 1 72 ASN H 4.980 . 4.980 3.968 3.548 4.260 . 0 0 "[ . 1 . 2]" 2
479 1 71 VAL H 1 74 THR H 4.680 . 4.680 3.900 3.329 4.394 . 0 0 "[ . 1 . 2]" 2
480 1 71 VAL H 1 76 VAL QG . . 4.010 2.964 2.504 3.589 . 0 0 "[ . 1 . 2]" 2
481 1 38 GLY H 1 46 GLN H 5.500 . 5.500 4.301 4.002 4.663 . 0 0 "[ . 1 . 2]" 2
482 1 71 VAL H 1 71 VAL HB 3.850 . 3.850 3.332 3.128 3.525 . 0 0 "[ . 1 . 2]" 2
483 1 71 VAL H 1 76 VAL H 4.650 . 4.650 3.078 2.869 3.569 . 0 0 "[ . 1 . 2]" 2
484 1 125 LEU H 1 125 LEU QB 3.210 . 3.210 2.519 2.017 3.083 . 0 0 "[ . 1 . 2]" 2
485 1 122 VAL QG 1 125 LEU H 4.450 . 4.450 4.037 2.445 4.562 0.112 19 0 "[ . 1 . 2]" 2
486 1 124 ILE MG 1 125 LEU H 4.750 . 4.750 3.685 2.889 4.221 . 0 0 "[ . 1 . 2]" 2
487 1 63 GLU H 1 103 ARG HE 4.850 . 4.850 3.444 2.961 4.291 . 0 0 "[ . 1 . 2]" 2
488 1 63 GLU H 1 103 ARG QH2 4.310 . 4.310 2.910 2.144 4.405 0.095 20 0 "[ . 1 . 2]" 2
489 1 63 GLU H 1 63 GLU HB2 3.810 . 3.810 2.916 2.636 3.903 0.093 15 0 "[ . 1 . 2]" 2
490 1 63 GLU H 1 101 LEU QD 4.630 . 4.630 3.842 3.525 4.328 . 0 0 "[ . 1 . 2]" 2
491 1 29 ARG QG 1 93 ILE H 3.160 . 3.160 3.225 3.126 3.270 0.110 8 0 "[ . 1 . 2]" 2
492 1 18 LYS H 1 103 ARG H 3.980 . 3.980 2.981 2.823 3.187 . 0 0 "[ . 1 . 2]" 2
493 1 18 LYS H 1 18 LYS QD 3.310 . 3.310 2.842 2.213 3.395 0.085 10 0 "[ . 1 . 2]" 2
494 1 18 LYS H 1 104 GLY HA3 4.490 . 4.490 3.553 3.358 3.946 . 0 0 "[ . 1 . 2]" 2
495 1 81 HIS H 1 82 ALA H 4.480 . 4.480 2.983 2.790 3.115 . 0 0 "[ . 1 . 2]" 2
496 1 39 ASP HA 1 81 HIS H 3.860 . 3.860 2.295 1.859 2.926 . 0 0 "[ . 1 . 2]" 2
497 1 123 ALA H 1 124 ILE H 4.950 . 4.950 3.576 3.149 4.447 . 0 0 "[ . 1 . 2]" 2
498 1 89 GLN H 2 9 THR MG 5.500 . 5.500 4.901 4.485 5.215 . 0 0 "[ . 1 . 2]" 2
499 1 88 PHE H 1 89 GLN H 3.710 . 3.710 2.700 2.589 2.776 . 0 0 "[ . 1 . 2]" 2
500 1 87 ILE H 1 89 GLN H 5.330 . 5.330 3.859 3.654 4.024 . 0 0 "[ . 1 . 2]" 2
501 1 56 ALA H 1 57 ALA H 4.140 . 4.140 2.575 2.494 2.871 . 0 0 "[ . 1 . 2]" 2
502 1 55 PRO HB3 1 56 ALA H 4.540 . 4.540 4.212 4.156 4.285 . 0 0 "[ . 1 . 2]" 2
503 1 24 LEU MD1 1 56 ALA H 4.260 . 4.260 3.474 3.322 3.599 . 0 0 "[ . 1 . 2]" 2
504 1 23 LYS HA 1 97 VAL H 4.930 . 4.930 4.101 3.876 4.461 . 0 0 "[ . 1 . 2]" 2
505 1 97 VAL H 1 98 ASP H 4.500 . 4.500 4.243 4.166 4.323 . 0 0 "[ . 1 . 2]" 2
506 1 25 ARG HA 1 97 VAL H 4.010 . 4.010 3.575 3.319 3.809 . 0 0 "[ . 1 . 2]" 2
507 1 96 SER QB 1 97 VAL H . . 3.480 3.356 2.944 3.549 0.069 15 0 "[ . 1 . 2]" 2
508 1 23 LYS QB 1 97 VAL H 4.940 . 4.940 4.744 4.546 4.980 0.040 7 0 "[ . 1 . 2]" 2
509 1 35 VAL H 2 11 VAL QG 5.500 . 5.500 3.647 3.133 4.026 . 0 0 "[ . 1 . 2]" 2
510 1 80 THR H 1 84 VAL H 5.000 . 5.000 4.187 4.042 4.355 . 0 0 "[ . 1 . 2]" 2
511 1 83 GLN H 1 84 VAL H 3.850 . 3.850 2.460 2.362 2.621 . 0 0 "[ . 1 . 2]" 2
512 1 79 HIS HB3 1 84 VAL H 5.380 . 5.380 3.333 3.195 3.418 . 0 0 "[ . 1 . 2]" 2
513 1 83 GLN HG2 1 84 VAL H 4.260 . 4.260 4.143 3.941 4.278 0.018 7 0 "[ . 1 . 2]" 2
514 1 83 GLN HB3 1 84 VAL H 3.400 . 3.400 3.426 3.393 3.461 0.061 10 0 "[ . 1 . 2]" 2
515 1 55 PRO HB2 1 56 ALA H 4.210 . 4.210 3.530 3.392 3.656 . 0 0 "[ . 1 . 2]" 2
516 1 11 ASN HB2 1 14 GLU H 4.960 . 4.960 3.354 2.907 4.409 . 0 0 "[ . 1 . 2]" 2
517 1 14 GLU H 1 14 GLU HB3 3.420 . 3.420 2.638 2.551 2.708 . 0 0 "[ . 1 . 2]" 2
518 1 9 THR MG 1 14 GLU H 4.560 . 4.560 4.604 4.337 4.752 0.192 18 0 "[ . 1 . 2]" 2
519 1 10 ARG H 1 10 ARG HB3 3.760 . 3.760 3.181 2.773 3.717 . 0 0 "[ . 1 . 2]" 2
520 1 14 GLU H 1 15 LEU H 3.420 . 3.420 2.211 2.115 2.282 . 0 0 "[ . 1 . 2]" 2
521 1 15 LEU H 1 15 LEU HB2 3.840 . 3.840 2.429 2.328 2.525 . 0 0 "[ . 1 . 2]" 2
522 1 31 PHE QE 1 97 VAL H 5.270 . 5.270 4.602 4.079 4.913 . 0 0 "[ . 1 . 2]" 2
523 1 87 ILE H 1 88 PHE H 3.650 . 3.650 2.364 2.310 2.420 . 0 0 "[ . 1 . 2]" 2
524 1 87 ILE H 1 87 ILE HG12 3.630 . 3.630 3.499 3.336 3.577 . 0 0 "[ . 1 . 2]" 2
525 1 87 ILE H 1 87 ILE HB 3.770 . 3.770 2.506 2.407 2.581 . 0 0 "[ . 1 . 2]" 2
526 1 15 LEU H 1 15 LEU HG 3.750 . 3.750 2.306 2.168 2.444 . 0 0 "[ . 1 . 2]" 2
527 1 46 GLN HB2 1 47 ILE H 3.850 . 3.850 3.978 3.927 4.026 0.176 10 0 "[ . 1 . 2]" 2
528 1 61 LYS HB3 1 62 MET H 3.940 . 3.940 3.320 2.265 3.998 0.058 20 0 "[ . 1 . 2]" 2
529 1 85 VAL H 1 87 ILE H 5.350 . 5.350 4.221 4.123 4.312 . 0 0 "[ . 1 . 2]" 2
530 1 68 ILE HA 1 102 CYS H 5.040 . 5.040 4.059 3.778 4.348 . 0 0 "[ . 1 . 2]" 2
531 1 67 VAL MG1 1 102 CYS H 4.020 . 4.020 3.106 2.518 4.030 0.010 18 0 "[ . 1 . 2]" 2
532 1 29 ARG H 1 93 ILE HG12 3.940 . 3.940 1.831 1.702 3.356 0.098 13 0 "[ . 1 . 2]" 2
533 1 29 ARG H 1 93 ILE MG 5.500 . 5.500 3.106 2.508 4.869 . 0 0 "[ . 1 . 2]" 2
534 1 57 ALA H 1 58 LEU H 4.050 . 4.050 2.409 2.208 2.456 . 0 0 "[ . 1 . 2]" 2
535 1 58 LEU H 1 59 ASP H 3.850 . 3.850 2.635 2.526 2.698 . 0 0 "[ . 1 . 2]" 2
536 1 58 LEU H 1 60 GLY H 5.020 . 5.020 3.528 3.370 3.651 . 0 0 "[ . 1 . 2]" 2
537 1 58 LEU H 1 59 ASP HB2 4.930 . 4.930 4.935 4.721 4.968 0.038 6 0 "[ . 1 . 2]" 2
538 1 58 LEU H 1 58 LEU HG 3.330 . 3.330 2.066 1.961 3.370 0.040 9 0 "[ . 1 . 2]" 2
539 1 33 PHE H 2 11 VAL QG 4.550 . 4.550 2.682 2.485 3.362 . 0 0 "[ . 1 . 2]" 2
540 1 32 GLY H 1 33 PHE H 3.510 . 3.510 2.084 1.998 2.137 . 0 0 "[ . 1 . 2]" 2
541 1 31 PHE HB3 1 33 PHE H 4.540 . 4.540 3.759 3.434 4.052 . 0 0 "[ . 1 . 2]" 2
542 1 120 THR HA 1 121 SER H 3.610 . 3.610 2.246 2.092 2.361 . 0 0 "[ . 1 . 2]" 2
543 1 59 ASP H 1 60 GLY QA 4.790 . 4.790 4.149 4.035 4.256 . 0 0 "[ . 1 . 2]" 2
544 1 59 ASP H 1 59 ASP HB2 3.670 . 3.670 2.440 2.267 2.528 . 0 0 "[ . 1 . 2]" 2
545 1 58 LEU HB3 1 59 ASP H 3.940 . 3.940 3.539 3.385 3.692 . 0 0 "[ . 1 . 2]" 2
546 1 58 LEU MD2 1 59 ASP H 4.480 . 4.480 4.554 4.117 4.633 0.153 13 0 "[ . 1 . 2]" 2
547 1 53 ASP H 1 58 LEU HA 5.100 . 5.100 5.075 4.862 5.169 0.069 9 0 "[ . 1 . 2]" 2
548 1 61 LYS H 1 62 MET H 4.230 . 4.230 2.508 1.826 3.780 . 0 0 "[ . 1 . 2]" 2
549 1 60 GLY H 1 61 LYS H 4.770 . 4.770 3.189 2.444 4.585 . 0 0 "[ . 1 . 2]" 2
550 1 61 LYS H 1 61 LYS HB3 3.950 . 3.950 2.758 2.323 3.667 . 0 0 "[ . 1 . 2]" 2
551 1 85 VAL QG 1 86 LYS H 4.220 . 4.220 2.274 2.164 2.360 . 0 0 "[ . 1 . 2]" 2
552 1 73 ASP H 1 74 THR H 4.080 . 4.080 2.650 1.764 3.359 0.036 2 0 "[ . 1 . 2]" 2
553 1 84 VAL H 1 86 LYS H 4.720 . 4.720 4.137 4.027 4.360 . 0 0 "[ . 1 . 2]" 2
554 1 82 ALA H 1 85 VAL QG 5.470 . 5.470 3.975 3.906 4.106 . 0 0 "[ . 1 . 2]" 2
555 1 22 THR H 1 23 LYS H 4.670 . 4.670 4.402 4.316 4.478 . 0 0 "[ . 1 . 2]" 2
556 1 22 THR H 1 100 GLU HA 4.710 . 4.710 3.619 2.919 4.265 . 0 0 "[ . 1 . 2]" 2
557 1 21 HIS QB 1 22 THR H 3.780 . 3.780 3.695 3.321 3.911 0.131 4 0 "[ . 1 . 2]" 2
558 1 22 THR H 1 99 LEU QB 4.550 . 4.550 3.320 2.995 3.636 . 0 0 "[ . 1 . 2]" 2
559 1 39 ASP H 1 40 GLU H 3.440 . 3.440 2.010 1.763 2.310 0.037 10 0 "[ . 1 . 2]" 2
560 1 38 GLY H 1 40 GLU H 4.630 . 4.630 4.661 4.511 4.757 0.127 19 0 "[ . 1 . 2]" 2
561 1 39 ASP HB3 1 40 GLU H 3.850 . 3.850 2.896 2.479 3.297 . 0 0 "[ . 1 . 2]" 2
562 1 40 GLU H 1 40 GLU HG3 3.730 . 3.730 2.971 2.846 3.241 . 0 0 "[ . 1 . 2]" 2
563 1 40 GLU H 1 40 GLU HB3 3.780 . 3.780 3.658 3.511 3.842 0.062 16 0 "[ . 1 . 2]" 2
564 1 81 HIS HB2 1 82 ALA H 4.190 . 4.190 3.778 3.560 3.944 . 0 0 "[ . 1 . 2]" 2
565 1 81 HIS HB3 1 82 ALA H 4.000 . 4.000 2.476 2.338 2.620 . 0 0 "[ . 1 . 2]" 2
566 1 39 ASP HA 1 82 ALA H 4.890 . 4.890 4.977 4.694 5.173 0.283 7 0 "[ . 1 . 2]" 2
567 1 22 THR H 1 101 LEU QD 4.980 . 4.980 2.920 2.589 4.355 . 0 0 "[ . 1 . 2]" 2
568 1 36 VAL H 1 48 LYS H 5.110 . 5.110 3.589 3.408 3.838 . 0 0 "[ . 1 . 2]" 2
569 1 35 VAL H 1 36 VAL H 5.410 . 5.410 4.373 4.206 4.498 . 0 0 "[ . 1 . 2]" 2
570 1 40 GLU HG3 1 42 ASP H 4.030 . 4.030 3.272 2.541 4.121 0.091 9 0 "[ . 1 . 2]" 2
571 1 42 ASP H 1 42 ASP HB3 3.990 . 3.990 2.529 2.098 3.145 . 0 0 "[ . 1 . 2]" 2
572 1 47 ILE H 1 65 GLY H 4.330 . 4.330 3.527 3.297 3.891 . 0 0 "[ . 1 . 2]" 2
573 1 65 GLY H 1 107 LEU MD2 4.630 . 4.630 3.170 2.791 3.614 . 0 0 "[ . 1 . 2]" 2
574 1 35 VAL MG2 1 36 VAL H 3.790 . 3.790 2.889 2.223 3.800 0.010 12 0 "[ . 1 . 2]" 2
575 1 94 GLY H 1 95 ALA H 4.030 . 4.030 2.229 2.127 2.302 . 0 0 "[ . 1 . 2]" 2
576 1 115 ASN H 1 115 ASN HD22 4.920 . 4.920 4.026 3.243 5.062 0.142 20 0 "[ . 1 . 2]" 2
577 1 50 LEU HB3 1 64 THR H 3.780 . 3.780 3.423 2.495 3.812 0.032 1 0 "[ . 1 . 2]" 2
578 1 82 ALA H 1 83 GLN H 3.770 . 3.770 2.622 2.551 2.693 . 0 0 "[ . 1 . 2]" 2
579 1 83 GLN H 1 83 GLN HG2 3.660 . 3.660 2.370 2.069 2.591 . 0 0 "[ . 1 . 2]" 2
580 1 83 GLN H 1 83 GLN HB3 3.870 . 3.870 3.566 3.517 3.615 . 0 0 "[ . 1 . 2]" 2
581 1 79 HIS HD2 1 83 GLN H 5.290 . 5.290 4.302 4.077 4.988 . 0 0 "[ . 1 . 2]" 2
582 1 87 ILE MD 1 88 PHE H 4.760 . 4.760 4.362 4.234 4.504 . 0 0 "[ . 1 . 2]" 2
583 1 115 ASN H 1 115 ASN HD21 4.210 . 4.210 2.747 1.973 3.848 . 0 0 "[ . 1 . 2]" 2
584 1 115 ASN H 1 116 THR H 3.410 . 3.410 2.905 2.249 3.613 0.203 3 0 "[ . 1 . 2]" 2
585 1 114 PRO HB3 1 115 ASN H 4.000 . 4.000 2.585 1.912 4.067 0.067 15 0 "[ . 1 . 2]" 2
586 1 103 ARG HH11 1 104 GLY H 5.500 . 5.500 5.447 5.162 5.578 0.078 15 0 "[ . 1 . 2]" 2
587 1 44 PHE QE 1 78 GLY H 5.100 . 5.100 3.889 3.308 4.691 . 0 0 "[ . 1 . 2]" 2
588 1 78 GLY H 1 79 HIS HB2 5.460 . 5.460 4.413 4.172 4.589 . 0 0 "[ . 1 . 2]" 2
589 1 77 LEU HG 1 78 GLY H 4.840 . 4.840 3.928 3.436 4.943 0.103 10 0 "[ . 1 . 2]" 2
590 1 104 GLY H 1 105 TYR H 3.710 . 3.710 2.021 1.794 2.565 0.006 19 0 "[ . 1 . 2]" 2
591 1 103 ARG HD3 1 104 GLY H 5.500 . 5.500 3.092 2.495 4.481 . 0 0 "[ . 1 . 2]" 2
592 1 103 ARG QB 1 104 GLY H 4.140 . 4.140 3.573 3.383 3.672 . 0 0 "[ . 1 . 2]" 2
593 1 103 ARG QG 1 104 GLY H 4.420 . 4.420 2.384 1.940 2.656 . 0 0 "[ . 1 . 2]" 2
594 1 115 ASN HB3 1 115 ASN HD21 3.660 . 3.660 3.114 2.919 3.472 . 0 0 "[ . 1 . 2]" 2
595 1 114 PRO HB3 1 115 ASN HD21 5.340 . 5.340 3.902 2.547 4.445 . 0 0 "[ . 1 . 2]" 2
596 1 114 PRO QD 1 115 ASN HD22 5.500 . 5.500 5.048 3.467 5.559 0.059 10 0 "[ . 1 . 2]" 2
597 1 115 ASN HB3 1 115 ASN HD22 4.010 . 4.010 3.888 3.773 4.076 0.066 6 0 "[ . 1 . 2]" 2
598 1 114 PRO HB3 1 115 ASN HD22 5.080 . 5.080 4.830 3.731 5.283 0.203 16 0 "[ . 1 . 2]" 2
599 1 62 MET HG2 1 103 ARG HE 5.500 . 5.500 5.173 4.339 5.657 0.157 7 0 "[ . 1 . 2]" 2
600 1 63 GLU HB2 1 103 ARG HE 4.050 . 4.050 3.855 1.782 4.296 0.246 15 0 "[ . 1 . 2]" 2
601 1 101 LEU QD 1 103 ARG HE 5.290 . 5.290 4.190 3.746 5.455 0.165 4 0 "[ . 1 . 2]" 2
602 1 42 ASP H 1 43 GLU H 3.540 . 3.540 2.237 1.758 2.648 0.042 19 0 "[ . 1 . 2]" 2
603 1 42 ASP HA 1 43 GLU H 3.540 . 3.540 3.518 3.396 3.560 0.020 5 0 "[ . 1 . 2]" 2
604 1 40 GLU HG3 1 43 GLU H 4.140 . 4.140 2.328 1.782 3.694 0.018 6 0 "[ . 1 . 2]" 2
605 1 42 ASP HB3 1 43 GLU H 3.800 . 3.800 2.928 2.426 3.398 . 0 0 "[ . 1 . 2]" 2
606 1 43 GLU H 1 43 GLU HB3 3.940 . 3.940 2.667 2.441 2.992 . 0 0 "[ . 1 . 2]" 2
607 1 103 ARG HA 1 103 ARG HE 5.140 . 5.140 3.776 2.918 5.188 0.048 20 0 "[ . 1 . 2]" 2
608 1 48 LYS H 1 49 SER H 3.970 . 3.970 2.119 2.029 2.198 . 0 0 "[ . 1 . 2]" 2
609 1 48 LYS HB3 1 49 SER H 5.320 . 5.320 4.180 4.023 4.369 . 0 0 "[ . 1 . 2]" 2
610 1 47 ILE HA 1 49 SER H 5.200 . 5.200 3.707 3.504 3.917 . 0 0 "[ . 1 . 2]" 2
611 1 11 ASN H 1 11 ASN HD21 5.120 . 5.120 3.270 2.727 4.092 . 0 0 "[ . 1 . 2]" 2
612 1 11 ASN HD21 1 13 SER QB 5.080 . 5.080 5.023 4.432 5.196 0.116 4 0 "[ . 1 . 2]" 2
613 1 11 ASN H 1 11 ASN HD22 5.470 . 5.470 4.767 4.155 5.471 0.001 13 0 "[ . 1 . 2]" 2
614 1 96 SER H 1 97 VAL H 4.390 . 4.390 4.313 4.238 4.373 . 0 0 "[ . 1 . 2]" 2
615 1 95 ALA H 1 96 SER H 4.890 . 4.890 4.465 4.413 4.534 . 0 0 "[ . 1 . 2]" 2
616 1 95 ALA HA 1 96 SER H 3.030 . 3.030 2.785 2.623 2.920 . 0 0 "[ . 1 . 2]" 2
617 1 72 ASN HD21 1 97 VAL HA 5.330 . 5.330 3.026 1.882 4.614 . 0 0 "[ . 1 . 2]" 2
618 1 34 THR H 1 49 SER H 4.580 . 4.580 3.105 2.881 3.286 . 0 0 "[ . 1 . 2]" 2
619 1 33 PHE QB 1 34 THR H . . 4.120 2.778 2.424 2.861 . 0 0 "[ . 1 . 2]" 2
620 1 34 THR H 1 47 ILE MG 5.500 . 5.500 3.411 3.137 3.545 . 0 0 "[ . 1 . 2]" 2
621 1 72 ASN HD22 1 97 VAL MG2 5.500 . 5.500 5.284 3.154 5.643 0.143 4 0 "[ . 1 . 2]" 2
622 1 46 GLN HE22 1 107 LEU MD2 5.320 . 5.320 2.482 1.777 3.536 0.023 17 0 "[ . 1 . 2]" 2
623 1 13 SER H 1 14 GLU H 3.440 . 3.440 2.664 2.475 2.824 . 0 0 "[ . 1 . 2]" 2
624 1 11 ASN HB2 1 13 SER H 4.860 . 4.860 4.491 4.207 4.890 0.030 16 0 "[ . 1 . 2]" 2
625 1 13 SER H 1 19 PHE QE 4.480 . 4.480 4.510 4.258 4.548 0.068 3 0 "[ . 1 . 2]" 2
626 1 11 ASN HB3 1 13 SER H 4.940 . 4.940 3.177 2.587 4.581 . 0 0 "[ . 1 . 2]" 2
627 1 12 PRO QG 1 13 SER H 3.800 . 3.800 2.853 2.690 3.042 . 0 0 "[ . 1 . 2]" 2
628 1 12 PRO HB3 1 13 SER H 3.980 . 3.980 3.748 3.502 3.991 0.011 1 0 "[ . 1 . 2]" 2
629 1 85 VAL QG 1 89 GLN HE22 5.500 . 5.500 4.163 2.421 4.915 . 0 0 "[ . 1 . 2]" 2
630 1 70 SER H 1 100 GLU H 4.450 . 4.450 3.175 2.616 3.375 . 0 0 "[ . 1 . 2]" 2
631 1 70 SER H 1 101 LEU HA 5.020 . 5.020 3.952 3.779 4.537 . 0 0 "[ . 1 . 2]" 2
632 1 68 ILE HA 1 70 SER H 4.010 . 4.010 4.014 3.682 4.071 0.061 12 0 "[ . 1 . 2]" 2
633 1 69 VAL HB 1 70 SER H 3.890 . 3.890 2.328 2.171 2.774 . 0 0 "[ . 1 . 2]" 2
634 1 90 SER H 1 91 ILE H 4.090 . 4.090 2.372 2.297 2.556 . 0 0 "[ . 1 . 2]" 2
635 1 89 GLN HE22 2 9 THR MG 5.390 . 5.390 5.006 3.611 5.485 0.095 3 0 "[ . 1 . 2]" 2
636 1 89 GLN H 1 90 SER H 4.000 . 4.000 2.456 2.369 2.535 . 0 0 "[ . 1 . 2]" 2
637 1 80 THR H 1 83 GLN HB2 4.000 . 4.000 2.806 2.620 2.991 . 0 0 "[ . 1 . 2]" 2
638 1 80 THR H 1 83 GLN HB3 4.220 . 4.220 4.094 3.923 4.270 0.050 13 0 "[ . 1 . 2]" 2
639 1 80 THR H 1 83 GLN H 4.490 . 4.490 4.195 4.058 4.341 . 0 0 "[ . 1 . 2]" 2
640 1 35 VAL MG2 1 37 GLY H 5.500 . 5.500 4.445 3.587 5.724 0.224 12 0 "[ . 1 . 2]" 2
641 1 29 ARG QG 1 30 GLY H 5.500 . 5.500 4.527 3.884 4.817 . 0 0 "[ . 1 . 2]" 2
642 1 29 ARG HB2 1 30 GLY H 5.470 . 5.470 4.256 2.512 4.550 . 0 0 "[ . 1 . 2]" 2
643 1 103 ARG H 1 103 ARG QB 3.700 . 3.700 2.294 2.199 2.408 . 0 0 "[ . 1 . 2]" 2
644 1 31 PHE HB3 1 32 GLY H 4.500 . 4.500 2.575 1.975 2.847 . 0 0 "[ . 1 . 2]" 2
645 1 32 GLY H 1 51 VAL MG2 5.200 . 5.200 4.804 4.436 4.991 . 0 0 "[ . 1 . 2]" 2
646 1 16 LYS H 1 17 GLY H 4.610 . 4.610 4.490 4.293 4.541 . 0 0 "[ . 1 . 2]" 2
647 1 17 GLY H 1 18 LYS H 4.360 . 4.360 4.314 4.064 4.410 0.050 20 0 "[ . 1 . 2]" 2
648 1 16 LYS QD 1 17 GLY H 3.780 . 3.780 3.741 2.809 3.988 0.208 20 0 "[ . 1 . 2]" 2
649 1 54 GLY H 1 57 ALA H 5.410 . 5.410 3.818 3.664 3.927 . 0 0 "[ . 1 . 2]" 2
650 1 53 ASP H 1 54 GLY H 3.820 . 3.820 2.407 1.796 2.544 0.004 9 0 "[ . 1 . 2]" 2
651 1 54 GLY H 1 58 LEU MD2 4.420 . 4.420 3.871 2.509 4.063 . 0 0 "[ . 1 . 2]" 2
652 1 50 LEU MD1 1 54 GLY H 5.060 . 5.060 4.405 4.022 5.067 0.007 2 0 "[ . 1 . 2]" 2
653 1 38 GLY H 1 43 GLU HB3 4.980 . 4.980 4.311 4.118 4.636 . 0 0 "[ . 1 . 2]" 2
654 1 59 ASP H 1 60 GLY H 3.640 . 3.640 2.225 2.108 2.340 . 0 0 "[ . 1 . 2]" 2
655 1 58 LEU HA 1 60 GLY H 3.940 . 3.940 3.984 3.923 4.075 0.135 20 0 "[ . 1 . 2]" 2
656 1 59 ASP HB2 1 60 GLY H 4.220 . 4.220 3.802 3.703 3.942 . 0 0 "[ . 1 . 2]" 2
657 1 59 ASP HB3 1 60 GLY H 4.330 . 4.330 2.923 2.771 3.105 . 0 0 "[ . 1 . 2]" 2
658 1 57 ALA MB 1 60 GLY H 4.930 . 4.930 4.520 4.292 4.656 . 0 0 "[ . 1 . 2]" 2
659 1 58 LEU MD2 1 60 GLY H 5.440 . 5.440 5.120 4.716 5.241 . 0 0 "[ . 1 . 2]" 2
660 1 51 VAL H 1 52 LEU H 4.770 . 4.770 4.363 4.201 4.464 . 0 0 "[ . 1 . 2]" 2
661 1 80 THR HB 1 83 GLN H 2.720 . 2.720 2.760 2.733 2.795 0.075 5 0 "[ . 1 . 2]" 2
662 1 34 THR HB 1 35 VAL H 4.240 . 4.240 2.959 2.795 3.092 . 0 0 "[ . 1 . 2]" 2
663 1 34 THR HB 2 10 GLN HA 4.640 . 4.640 3.303 2.989 3.670 . 0 0 "[ . 1 . 2]" 2
664 1 34 THR HB 2 10 GLN QB 4.420 . 4.420 4.090 3.173 4.449 0.029 20 0 "[ . 1 . 2]" 2
665 1 74 THR H 1 74 THR HB 3.320 . 3.320 2.579 2.405 2.832 . 0 0 "[ . 1 . 2]" 2
666 1 74 THR HB 1 76 VAL QG 4.760 . 4.760 3.265 2.346 4.549 . 0 0 "[ . 1 . 2]" 2
667 1 115 ASN HA 1 116 THR HB 4.970 . 4.970 4.695 4.177 5.098 0.128 1 0 "[ . 1 . 2]" 2
668 1 120 THR H 1 120 THR HB 3.380 . 3.380 2.726 2.468 3.212 . 0 0 "[ . 1 . 2]" 2
669 1 116 THR HB 1 117 SER H 3.970 . 3.970 3.352 1.890 4.040 0.070 13 0 "[ . 1 . 2]" 2
670 1 116 THR H 1 116 THR HB 3.590 . 3.590 2.834 2.368 3.643 0.053 14 0 "[ . 1 . 2]" 2
671 1 48 LYS HA 1 64 THR HB 5.380 . 5.380 5.461 5.165 5.546 0.166 11 0 "[ . 1 . 2]" 2
672 1 64 THR HB 1 65 GLY H 4.120 . 4.120 4.131 3.996 4.183 0.063 4 0 "[ . 1 . 2]" 2
673 1 64 THR H 1 64 THR HB 3.250 . 3.250 2.563 2.318 2.689 . 0 0 "[ . 1 . 2]" 2
674 1 64 THR HB 1 107 LEU MD2 4.980 . 4.980 4.527 3.846 5.020 0.040 15 0 "[ . 1 . 2]" 2
675 1 47 ILE MG 1 64 THR HB 4.920 . 4.920 4.501 4.039 4.893 . 0 0 "[ . 1 . 2]" 2
676 1 22 THR HB 1 23 LYS H 4.420 . 4.420 4.068 3.923 4.177 . 0 0 "[ . 1 . 2]" 2
677 1 85 VAL HA 1 87 ILE H 4.590 . 4.590 4.177 4.071 4.276 . 0 0 "[ . 1 . 2]" 2
678 1 85 VAL HA 1 88 PHE HB3 4.550 . 4.550 3.995 3.813 4.185 . 0 0 "[ . 1 . 2]" 2
679 1 85 VAL HA 1 85 VAL QG 3.180 . 3.180 2.296 2.270 2.334 . 0 0 "[ . 1 . 2]" 2
680 1 85 VAL HA 1 86 LYS QB 4.970 . 4.970 5.039 5.013 5.106 0.136 3 0 "[ . 1 . 2]" 2
681 1 27 SER QB 1 55 PRO HG3 . . 4.400 2.684 2.034 3.221 . 0 0 "[ . 1 . 2]" 2
682 1 27 SER QB 1 55 PRO HB2 4.440 . 4.440 4.512 4.410 4.626 0.186 18 0 "[ . 1 . 2]" 2
683 1 25 ARG HA 1 96 SER QB . . 4.360 3.454 3.271 3.709 . 0 0 "[ . 1 . 2]" 2
684 1 96 SER QB 1 97 VAL MG2 5.060 . 5.060 4.871 4.530 5.117 0.057 16 0 "[ . 1 . 2]" 2
685 1 23 LYS QD 1 96 SER QB 3.870 . 3.870 3.811 3.465 3.963 0.093 20 0 "[ . 1 . 2]" 2
686 1 26 LYS H 1 96 SER QB 4.930 . 4.930 4.357 4.060 4.684 . 0 0 "[ . 1 . 2]" 2
687 1 55 PRO HA 1 58 LEU H 4.020 . 4.020 3.213 3.119 3.340 . 0 0 "[ . 1 . 2]" 2
688 1 55 PRO HA 1 58 LEU HB2 3.650 . 3.650 2.221 1.875 2.308 . 0 0 "[ . 1 . 2]" 2
689 1 55 PRO HA 1 58 LEU HB3 3.780 . 3.780 3.774 3.100 3.834 0.054 20 0 "[ . 1 . 2]" 2
690 1 24 LEU MD1 1 55 PRO HA 4.580 . 4.580 4.627 4.596 4.652 0.072 6 0 "[ . 1 . 2]" 2
691 1 55 PRO HA 1 58 LEU MD1 4.880 . 4.880 2.399 2.076 4.192 . 0 0 "[ . 1 . 2]" 2
692 1 69 VAL MG1 1 70 SER QB 4.500 . 4.500 2.987 2.431 3.586 . 0 0 "[ . 1 . 2]" 2
693 1 70 SER QB 1 76 VAL QG 4.660 . 4.660 3.938 3.496 4.706 0.046 16 0 "[ . 1 . 2]" 2
694 1 70 SER QB 1 71 VAL H . . 3.740 2.572 2.132 3.426 . 0 0 "[ . 1 . 2]" 2
695 1 70 SER QB 1 75 CYS HA . . 4.220 3.184 2.377 3.929 . 0 0 "[ . 1 . 2]" 2
696 1 70 SER QB 1 100 GLU QB . . 4.100 2.649 1.855 4.034 . 0 0 "[ . 1 . 2]" 2
697 1 70 SER QB 1 76 VAL H 4.700 . 4.700 3.457 2.632 4.278 . 0 0 "[ . 1 . 2]" 2
698 1 84 VAL HA 1 87 ILE H 3.940 . 3.940 3.393 3.225 3.589 . 0 0 "[ . 1 . 2]" 2
699 1 84 VAL HA 1 87 ILE HB 3.670 . 3.670 3.220 2.955 3.365 . 0 0 "[ . 1 . 2]" 2
700 1 87 ILE HA 1 87 ILE HG12 3.490 . 3.490 2.539 2.485 2.598 . 0 0 "[ . 1 . 2]" 2
701 1 87 ILE HA 1 87 ILE HG13 3.500 . 3.500 3.055 2.976 3.156 . 0 0 "[ . 1 . 2]" 2
702 1 34 THR H 1 49 SER HB2 4.330 . 4.330 3.152 2.924 3.589 . 0 0 "[ . 1 . 2]" 2
703 1 34 THR H 1 49 SER HB3 4.960 . 4.960 4.362 4.166 4.714 . 0 0 "[ . 1 . 2]" 2
704 1 12 PRO HA 1 15 LEU H 4.050 . 4.050 3.635 3.519 3.756 . 0 0 "[ . 1 . 2]" 2
705 1 12 PRO HA 1 15 LEU HG 4.140 . 4.140 3.308 2.823 3.759 . 0 0 "[ . 1 . 2]" 2
706 1 12 PRO HA 1 15 LEU MD1 3.540 . 3.540 2.203 1.852 2.447 . 0 0 "[ . 1 . 2]" 2
707 1 12 PRO HA 1 69 VAL MG2 3.810 . 3.810 2.666 2.369 3.066 . 0 0 "[ . 1 . 2]" 2
708 1 12 PRO HA 1 14 GLU H 4.400 . 4.400 4.079 3.981 4.186 . 0 0 "[ . 1 . 2]" 2
709 1 49 SER HB3 1 50 LEU H 3.600 . 3.600 3.383 3.309 3.467 . 0 0 "[ . 1 . 2]" 2
710 1 121 SER QB 1 122 VAL HA 4.970 . 4.970 4.393 4.048 4.625 . 0 0 "[ . 1 . 2]" 2
711 1 48 LYS H 1 64 THR HA 4.850 . 4.850 4.836 4.546 4.911 0.061 12 0 "[ . 1 . 2]" 2
712 1 64 THR HA 1 65 GLY H 3.290 . 3.290 2.186 2.121 2.236 . 0 0 "[ . 1 . 2]" 2
713 1 48 LYS HA 1 64 THR HA 4.610 . 4.610 4.455 4.052 4.621 0.011 9 0 "[ . 1 . 2]" 2
714 1 63 GLU HA 1 64 THR HA 4.530 . 4.530 4.358 4.231 4.433 . 0 0 "[ . 1 . 2]" 2
715 1 47 ILE HB 1 64 THR HA 4.110 . 4.110 2.429 2.134 2.937 . 0 0 "[ . 1 . 2]" 2
716 1 64 THR HA 1 107 LEU MD2 4.400 . 4.400 4.210 3.733 4.468 0.068 6 0 "[ . 1 . 2]" 2
717 1 47 ILE MG 1 64 THR HA 3.850 . 3.850 2.209 1.901 2.523 . 0 0 "[ . 1 . 2]" 2
718 1 47 ILE MD 1 64 THR HA 5.250 . 5.250 4.787 4.516 5.146 . 0 0 "[ . 1 . 2]" 2
719 1 93 ILE HA 1 94 GLY QA 4.190 . 4.190 3.993 3.912 4.035 . 0 0 "[ . 1 . 2]" 2
720 1 93 ILE HA 1 93 ILE HG13 4.250 . 4.250 3.140 3.023 3.301 . 0 0 "[ . 1 . 2]" 2
721 1 26 LYS HG3 1 93 ILE HA 4.920 . 4.920 5.059 4.962 5.136 0.216 8 0 "[ . 1 . 2]" 2
722 1 93 ILE HA 1 94 GLY H 3.620 . 3.620 2.269 2.172 2.326 . 0 0 "[ . 1 . 2]" 2
723 1 69 VAL HA 1 77 LEU HA 4.520 . 4.520 3.426 3.083 4.238 . 0 0 "[ . 1 . 2]" 2
724 1 26 LYS HB2 1 93 ILE HA 4.450 . 4.450 4.276 3.913 4.522 0.072 18 0 "[ . 1 . 2]" 2
725 1 110 ASP HB3 1 111 PRO HA 4.890 . 4.890 4.835 4.664 4.977 0.087 15 0 "[ . 1 . 2]" 2
726 1 69 VAL HA 1 69 VAL MG2 3.660 . 3.660 2.435 2.377 2.515 . 0 0 "[ . 1 . 2]" 2
727 1 114 PRO HA 1 115 ASN H 3.500 . 3.500 2.771 2.153 3.522 0.022 3 0 "[ . 1 . 2]" 2
728 1 90 SER H 1 90 SER QB 3.560 . 3.560 2.512 2.231 2.870 . 0 0 "[ . 1 . 2]" 2
729 1 117 SER H 1 117 SER HB2 3.370 . 3.370 2.804 2.309 3.460 0.090 3 0 "[ . 1 . 2]" 2
730 1 117 SER HA 1 117 SER HB2 2.970 . 2.970 2.803 2.486 3.015 0.045 1 0 "[ . 1 . 2]" 2
731 1 117 SER HB2 1 119 VAL QG 4.730 . 4.730 3.749 2.480 4.768 0.038 18 0 "[ . 1 . 2]" 2
732 1 116 THR MG 1 117 SER HB3 4.950 . 4.950 4.692 3.971 5.081 0.131 16 0 "[ . 1 . 2]" 2
733 1 117 SER H 1 117 SER HB3 3.410 . 3.410 3.160 2.430 3.621 0.211 16 0 "[ . 1 . 2]" 2
734 1 40 GLU HA 1 41 PRO HA 4.630 . 4.630 4.263 4.114 4.418 . 0 0 "[ . 1 . 2]" 2
735 1 41 PRO HA 1 42 ASP H 3.390 . 3.390 2.929 2.279 3.384 . 0 0 "[ . 1 . 2]" 2
736 1 41 PRO HA 1 43 GLU H 4.100 . 4.100 4.067 3.856 4.157 0.057 3 0 "[ . 1 . 2]" 2
737 1 41 PRO HA 1 42 ASP HA 4.610 . 4.610 4.562 4.325 4.730 0.120 20 0 "[ . 1 . 2]" 2
738 1 6 PRO HA 1 7 PHE H 2.820 . 2.820 2.132 1.894 2.389 . 0 0 "[ . 1 . 2]" 2
739 1 92 PRO HA 1 93 ILE H 2.800 . 2.800 2.185 2.083 2.246 . 0 0 "[ . 1 . 2]" 2
740 1 116 THR HA 1 117 SER H 3.020 . 3.020 2.780 2.202 3.318 0.298 14 0 "[ . 1 . 2]" 2
741 1 13 SER QB 1 14 GLU H 3.860 . 3.860 3.044 2.689 3.241 . 0 0 "[ . 1 . 2]" 2
742 1 13 SER H 1 13 SER QB 3.010 . 3.010 2.027 1.829 2.209 . 0 0 "[ . 1 . 2]" 2
743 1 13 SER QB 1 15 LEU H 4.880 . 4.880 4.710 4.467 4.860 . 0 0 "[ . 1 . 2]" 2
744 1 13 SER HA 1 13 SER QB 2.780 . 2.780 2.324 2.241 2.442 . 0 0 "[ . 1 . 2]" 2
745 1 12 PRO QG 1 13 SER QB 4.220 . 4.220 3.641 3.446 4.094 . 0 0 "[ . 1 . 2]" 2
746 1 12 PRO HB3 1 13 SER QB 4.780 . 4.780 4.969 4.861 5.134 0.354 20 0 "[ . 1 . 2]" 2
747 1 92 PRO HA 1 93 ILE MD 4.760 . 4.760 4.844 4.800 4.895 0.135 13 0 "[ . 1 . 2]" 2
748 1 51 VAL HA 1 52 LEU H 2.960 . 2.960 2.114 2.061 2.157 . 0 0 "[ . 1 . 2]" 2
749 1 68 ILE HA 1 68 ILE HG12 3.800 . 3.800 2.899 2.193 3.070 . 0 0 "[ . 1 . 2]" 2
750 1 68 ILE HA 1 68 ILE MG 3.440 . 3.440 2.521 2.471 2.687 . 0 0 "[ . 1 . 2]" 2
751 1 122 VAL HA 1 123 ALA H 3.470 . 3.470 2.155 2.080 2.305 . 0 0 "[ . 1 . 2]" 2
752 1 124 ILE HA 1 124 ILE HG13 3.980 . 3.980 3.289 2.511 3.908 . 0 0 "[ . 1 . 2]" 2
753 1 28 SER HB2 1 93 ILE MD 4.780 . 4.780 4.756 4.199 4.877 0.097 4 0 "[ . 1 . 2]" 2
754 1 28 SER HB2 1 93 ILE MG 4.990 . 4.990 4.802 4.346 5.018 0.028 18 0 "[ . 1 . 2]" 2
755 1 88 PHE HA 1 90 SER H 4.370 . 4.370 4.179 3.986 4.360 . 0 0 "[ . 1 . 2]" 2
756 1 31 PHE QD 1 88 PHE HA 4.590 . 4.590 4.314 3.888 4.590 0.000 13 0 "[ . 1 . 2]" 2
757 1 88 PHE HA 1 91 ILE HG12 4.500 . 4.500 3.458 2.368 4.128 . 0 0 "[ . 1 . 2]" 2
758 1 87 ILE MG 1 88 PHE HA 4.730 . 4.730 3.256 3.155 3.370 . 0 0 "[ . 1 . 2]" 2
759 1 74 THR HA 1 75 CYS H 3.080 . 3.080 2.068 1.995 2.151 . 0 0 "[ . 1 . 2]" 2
760 1 74 THR HA 1 75 CYS HB2 4.200 . 4.200 4.248 4.201 4.283 0.083 14 0 "[ . 1 . 2]" 2
761 1 106 PRO HA 1 107 LEU H 2.940 . 2.940 2.394 2.081 2.775 . 0 0 "[ . 1 . 2]" 2
762 1 119 VAL HA 1 120 THR H 2.900 . 2.900 2.097 1.956 2.186 . 0 0 "[ . 1 . 2]" 2
763 1 118 LEU H 1 119 VAL HA 5.090 . 5.090 5.005 4.316 5.209 0.119 1 0 "[ . 1 . 2]" 2
764 1 24 LEU HB3 1 31 PHE HA 4.700 . 4.700 4.811 4.701 4.871 0.171 8 0 "[ . 1 . 2]" 2
765 1 31 PHE HA 1 55 PRO HG2 4.320 . 4.320 3.087 2.841 3.375 . 0 0 "[ . 1 . 2]" 2
766 1 46 GLN HA 1 67 VAL HA 3.970 . 3.970 1.824 1.778 1.908 0.022 11 0 "[ . 1 . 2]" 2
767 1 46 GLN HB2 1 67 VAL HA 4.310 . 4.310 3.611 3.400 3.937 . 0 0 "[ . 1 . 2]" 2
768 1 71 VAL HA 1 97 VAL MG1 4.740 . 4.740 4.730 4.213 4.874 0.134 11 0 "[ . 1 . 2]" 2
769 1 71 VAL HA 1 72 ASN H 3.170 . 3.170 2.112 1.969 2.331 . 0 0 "[ . 1 . 2]" 2
770 1 71 VAL HA 1 99 LEU HA 3.820 . 3.820 2.477 2.290 2.758 . 0 0 "[ . 1 . 2]" 2
771 1 12 PRO HB3 1 13 SER HA 4.410 . 4.410 4.545 4.454 4.601 0.191 4 0 "[ . 1 . 2]" 2
772 1 12 PRO QG 1 13 SER HA 4.270 . 4.270 4.398 4.354 4.444 0.174 9 0 "[ . 1 . 2]" 2
773 1 80 THR HA 1 81 HIS H 3.420 . 3.420 2.324 2.185 2.371 . 0 0 "[ . 1 . 2]" 2
774 1 22 THR HA 1 23 LYS H 2.990 . 2.990 2.191 2.104 2.286 . 0 0 "[ . 1 . 2]" 2
775 1 80 THR HA 1 81 HIS HA 4.390 . 4.390 4.376 4.300 4.421 0.031 8 0 "[ . 1 . 2]" 2
776 1 81 HIS HA 1 84 VAL HB 4.450 . 4.450 4.288 4.121 4.431 . 0 0 "[ . 1 . 2]" 2
777 1 90 SER HA 1 90 SER QB 2.730 . 2.730 2.324 2.169 2.412 . 0 0 "[ . 1 . 2]" 2
778 1 89 GLN QB 1 90 SER HA 4.280 . 4.280 4.123 3.860 4.314 0.034 18 0 "[ . 1 . 2]" 2
779 1 76 VAL HA 1 79 HIS H 4.370 . 4.370 3.791 3.614 4.042 . 0 0 "[ . 1 . 2]" 2
780 1 76 VAL HA 1 84 VAL QG 4.510 . 4.510 4.340 4.079 4.609 0.099 13 0 "[ . 1 . 2]" 2
781 1 76 VAL HA 1 79 HIS HB2 4.380 . 4.380 2.231 2.017 2.444 . 0 0 "[ . 1 . 2]" 2
782 1 75 CYS HA 1 77 LEU H 3.030 . 3.030 2.962 2.709 3.122 0.092 10 0 "[ . 1 . 2]" 2
783 1 20 ILE HA 1 21 HIS H 2.890 . 2.890 2.206 2.086 2.266 . 0 0 "[ . 1 . 2]" 2
784 1 35 VAL HA 1 48 LYS H 4.320 . 4.320 2.276 1.916 2.781 . 0 0 "[ . 1 . 2]" 2
785 1 35 VAL HA 1 47 ILE HA 4.210 . 4.210 2.211 1.863 2.420 . 0 0 "[ . 1 . 2]" 2
786 1 91 ILE HA 1 92 PRO QG 3.890 . 3.890 3.681 3.442 3.821 . 0 0 "[ . 1 . 2]" 2
787 1 91 ILE HA 1 92 PRO HD3 3.450 . 3.450 1.817 1.776 1.888 0.024 1 0 "[ . 1 . 2]" 2
788 1 91 ILE HA 1 91 ILE HG12 3.870 . 3.870 2.508 2.171 3.432 . 0 0 "[ . 1 . 2]" 2
789 1 9 THR HA 1 10 ARG H 3.160 . 3.160 2.925 2.663 3.323 0.163 13 0 "[ . 1 . 2]" 2
790 1 35 VAL HA 1 35 VAL MG2 3.560 . 3.560 2.793 2.229 3.177 . 0 0 "[ . 1 . 2]" 2
791 1 35 VAL HA 1 36 VAL H 3.100 . 3.100 2.245 2.049 2.406 . 0 0 "[ . 1 . 2]" 2
792 1 36 VAL HA 1 46 GLN HB3 5.020 . 5.020 5.204 5.107 5.307 0.287 1 0 "[ . 1 . 2]" 2
793 1 72 ASN HD22 1 97 VAL HA 3.790 . 3.790 3.351 2.442 3.868 0.078 16 0 "[ . 1 . 2]" 2
794 1 7 PHE HA 1 8 PHE H 3.060 . 3.060 2.093 1.985 2.187 . 0 0 "[ . 1 . 2]" 2
795 1 83 GLN HA 1 84 VAL QG 5.230 . 5.230 4.830 4.794 4.858 . 0 0 "[ . 1 . 2]" 2
796 1 9 THR HA 1 10 ARG HB3 4.610 . 4.610 4.238 3.869 4.435 . 0 0 "[ . 1 . 2]" 2
797 1 8 PHE HA 1 9 THR HA 4.830 . 4.830 4.258 4.183 4.344 . 0 0 "[ . 1 . 2]" 2
798 1 97 VAL HA 1 98 ASP H 2.970 . 2.970 2.150 2.047 2.257 . 0 0 "[ . 1 . 2]" 2
799 1 86 LYS HA 1 89 GLN H 4.170 . 4.170 3.803 3.347 4.051 . 0 0 "[ . 1 . 2]" 2
800 1 86 LYS HA 1 86 LYS QG 3.730 . 3.730 2.649 2.494 3.376 . 0 0 "[ . 1 . 2]" 2
801 1 85 VAL QG 1 86 LYS HA 4.540 . 4.540 3.077 2.972 3.172 . 0 0 "[ . 1 . 2]" 2
802 1 82 ALA H 1 83 GLN HA 5.120 . 5.120 5.197 5.172 5.252 0.132 7 0 "[ . 1 . 2]" 2
803 1 83 GLN HA 1 86 LYS H 4.380 . 4.380 3.710 3.436 3.943 . 0 0 "[ . 1 . 2]" 2
804 1 83 GLN HA 1 83 GLN HG2 3.270 . 3.270 3.111 3.005 3.275 0.005 10 0 "[ . 1 . 2]" 2
805 1 83 GLN HA 1 87 ILE MD 5.500 . 5.500 4.791 4.432 5.235 . 0 0 "[ . 1 . 2]" 2
806 1 26 LYS HA 1 30 GLY H 4.840 . 4.840 4.104 3.458 4.935 0.095 4 0 "[ . 1 . 2]" 2
807 1 26 LYS HA 1 27 SER HA 4.610 . 4.610 4.335 4.258 4.401 . 0 0 "[ . 1 . 2]" 2
808 1 25 ARG HG2 1 26 LYS HA 4.890 . 4.890 4.777 4.393 4.965 0.075 7 0 "[ . 1 . 2]" 2
809 1 26 LYS HA 1 31 PHE HA 4.240 . 4.240 3.518 3.165 4.023 . 0 0 "[ . 1 . 2]" 2
810 1 34 THR HA 2 11 VAL H 4.380 . 4.380 2.724 2.435 3.052 . 0 0 "[ . 1 . 2]" 2
811 1 34 THR HA 1 35 VAL MG2 4.690 . 4.690 4.186 3.131 4.932 0.242 14 0 "[ . 1 . 2]" 2
812 1 36 VAL H 1 47 ILE HA 4.120 . 4.120 3.457 2.993 3.726 . 0 0 "[ . 1 . 2]" 2
813 1 47 ILE HA 1 48 LYS H 3.330 . 3.330 2.179 1.968 2.308 . 0 0 "[ . 1 . 2]" 2
814 1 26 LYS HA 1 27 SER H 3.520 . 3.520 2.062 1.949 2.207 . 0 0 "[ . 1 . 2]" 2
815 1 26 LYS HA 1 26 LYS HD3 4.270 . 4.270 3.289 2.362 4.350 0.080 19 0 "[ . 1 . 2]" 2
816 1 19 PHE HA 1 103 ARG H 4.260 . 4.260 3.537 3.378 3.790 . 0 0 "[ . 1 . 2]" 2
817 1 19 PHE HA 1 20 ILE H 3.040 . 3.040 2.156 2.104 2.219 . 0 0 "[ . 1 . 2]" 2
818 1 19 PHE HA 1 20 ILE MD 4.390 . 4.390 2.819 2.677 2.969 . 0 0 "[ . 1 . 2]" 2
819 1 52 LEU HA 1 53 ASP H 2.870 . 2.870 2.133 2.064 2.210 . 0 0 "[ . 1 . 2]" 2
820 1 52 LEU HA 1 54 GLY H 3.960 . 3.960 2.871 2.648 3.522 . 0 0 "[ . 1 . 2]" 2
821 1 52 LEU HA 1 53 ASP HA 4.560 . 4.560 4.274 4.211 4.357 . 0 0 "[ . 1 . 2]" 2
822 1 52 LEU HA 1 52 LEU HG 3.120 . 3.120 3.149 3.091 3.171 0.051 3 0 "[ . 1 . 2]" 2
823 1 52 LEU HA 1 57 ALA MB 3.250 . 3.250 2.209 2.057 2.392 . 0 0 "[ . 1 . 2]" 2
824 1 7 PHE HA 1 8 PHE HA 4.830 . 4.830 4.360 4.294 4.419 . 0 0 "[ . 1 . 2]" 2
825 1 8 PHE HA 1 9 THR MG 4.740 . 4.740 3.954 3.741 4.208 . 0 0 "[ . 1 . 2]" 2
826 1 8 PHE HA 1 15 LEU MD2 5.330 . 5.330 4.772 3.923 5.371 0.041 2 0 "[ . 1 . 2]" 2
827 1 96 SER HA 1 97 VAL H 3.200 . 3.200 2.152 2.059 2.234 . 0 0 "[ . 1 . 2]" 2
828 1 25 ARG HA 1 96 SER HA 3.480 . 3.480 2.343 2.224 2.513 . 0 0 "[ . 1 . 2]" 2
829 1 95 ALA MB 1 96 SER HA 4.680 . 4.680 4.134 4.061 4.202 . 0 0 "[ . 1 . 2]" 2
830 1 24 LEU H 1 96 SER HA 4.470 . 4.470 4.574 4.526 4.673 0.203 7 0 "[ . 1 . 2]" 2
831 1 96 SER HA 1 97 VAL MG1 5.370 . 5.370 4.192 3.956 4.423 . 0 0 "[ . 1 . 2]" 2
832 1 48 LYS HA 1 107 LEU HG 3.460 . 3.460 3.017 2.546 3.370 . 0 0 "[ . 1 . 2]" 2
833 1 61 LYS HA 1 61 LYS QG 3.410 . 3.410 2.852 2.407 3.469 0.059 5 0 "[ . 1 . 2]" 2
834 1 58 LEU HA 1 58 LEU HB2 2.910 . 2.910 2.893 2.877 2.942 0.032 9 0 "[ . 1 . 2]" 2
835 1 117 SER HA 1 118 LEU H 2.680 . 2.680 2.178 2.012 2.307 . 0 0 "[ . 1 . 2]" 2
836 1 58 LEU HA 1 58 LEU HB3 2.980 . 2.980 2.361 2.327 2.589 . 0 0 "[ . 1 . 2]" 2
837 1 70 SER HA 1 71 VAL HB 4.790 . 4.790 4.283 4.047 4.453 . 0 0 "[ . 1 . 2]" 2
838 1 70 SER HA 1 77 LEU H 4.120 . 4.120 3.401 3.050 3.852 . 0 0 "[ . 1 . 2]" 2
839 1 70 SER HA 1 76 VAL H 3.710 . 3.710 2.456 1.886 2.863 . 0 0 "[ . 1 . 2]" 2
840 1 70 SER HA 1 75 CYS HA 4.060 . 4.060 3.648 2.839 4.085 0.025 1 0 "[ . 1 . 2]" 2
841 1 70 SER HA 1 76 VAL QG 3.870 . 3.870 2.686 1.912 3.493 . 0 0 "[ . 1 . 2]" 2
842 1 102 CYS HA 1 103 ARG H 3.330 . 3.330 2.066 1.979 2.176 . 0 0 "[ . 1 . 2]" 2
843 1 79 HIS HA 1 80 THR H 2.970 . 2.970 2.188 1.966 2.305 . 0 0 "[ . 1 . 2]" 2
844 1 66 ASP HA 1 67 VAL H 3.160 . 3.160 2.207 2.089 2.371 . 0 0 "[ . 1 . 2]" 2
845 1 66 ASP HA 1 101 LEU QD 4.190 . 4.190 4.128 3.978 4.366 0.176 20 0 "[ . 1 . 2]" 2
846 1 59 ASP HA 1 60 GLY QA 4.260 . 4.260 4.271 4.177 4.324 0.064 11 0 "[ . 1 . 2]" 2
847 1 77 LEU HA 1 78 GLY H 3.530 . 3.530 2.118 1.949 2.196 . 0 0 "[ . 1 . 2]" 2
848 1 44 PHE HA 1 45 LEU H 3.370 . 3.370 2.531 2.407 2.602 . 0 0 "[ . 1 . 2]" 2
849 1 33 PHE HA 1 34 THR H 3.420 . 3.420 2.292 2.226 2.469 . 0 0 "[ . 1 . 2]" 2
850 1 33 PHE HA 1 50 LEU HA 4.010 . 4.010 3.043 2.461 3.390 . 0 0 "[ . 1 . 2]" 2
851 1 33 PHE HA 1 56 ALA MB 4.850 . 4.850 4.859 4.468 4.989 0.139 15 0 "[ . 1 . 2]" 2
852 1 33 PHE HA 1 47 ILE MG 4.060 . 4.060 4.119 4.074 4.171 0.111 6 0 "[ . 1 . 2]" 2
853 1 14 GLU HA 1 14 GLU HB3 2.880 . 2.880 2.567 2.536 2.615 . 0 0 "[ . 1 . 2]" 2
854 1 10 ARG HA 1 77 LEU HA 5.310 . 5.310 5.329 5.048 5.412 0.102 14 0 "[ . 1 . 2]" 2
855 1 10 ARG HA 1 10 ARG HG2 3.990 . 3.990 3.764 3.664 4.117 0.127 2 0 "[ . 1 . 2]" 2
856 1 10 ARG HA 1 77 LEU MD2 4.250 . 4.250 2.982 2.159 4.251 0.001 10 0 "[ . 1 . 2]" 2
857 1 62 MET HA 1 62 MET ME 5.070 . 5.070 4.360 3.961 4.781 . 0 0 "[ . 1 . 2]" 2
858 1 39 ASP HA 1 81 HIS HA 4.110 . 4.110 3.920 3.412 4.163 0.053 16 0 "[ . 1 . 2]" 2
859 1 39 ASP HA 1 81 HIS HB3 3.690 . 3.690 3.550 3.278 3.784 0.094 10 0 "[ . 1 . 2]" 2
860 1 39 ASP HA 1 40 GLU HG2 3.920 . 3.920 4.111 4.056 4.189 0.269 1 0 "[ . 1 . 2]" 2
861 1 3 MET HA 1 4 GLY H 3.460 . 3.460 2.508 2.025 2.968 . 0 0 "[ . 1 . 2]" 2
862 1 13 SER QB 1 14 GLU HA 4.320 . 4.320 4.287 4.103 4.373 0.053 1 0 "[ . 1 . 2]" 2
863 1 127 LYS HA 1 128 GLU H 2.830 . 2.830 2.209 1.921 2.701 . 0 0 "[ . 1 . 2]" 2
864 1 127 LYS HA 1 127 LYS QG 3.920 . 3.920 2.903 2.398 3.539 . 0 0 "[ . 1 . 2]" 2
865 1 62 MET HA 1 103 ARG HE 4.800 . 4.800 3.857 3.114 4.377 . 0 0 "[ . 1 . 2]" 2
866 1 62 MET HA 1 63 GLU H 3.190 . 3.190 2.292 2.131 2.457 . 0 0 "[ . 1 . 2]" 2
867 1 62 MET HA 1 103 ARG QH2 4.280 . 4.280 2.143 1.777 3.009 0.023 8 0 "[ . 1 . 2]" 2
868 1 62 MET HA 1 62 MET HG3 3.870 . 3.870 3.168 2.636 3.748 . 0 0 "[ . 1 . 2]" 2
869 1 62 MET HA 1 101 LEU QD 3.850 . 3.850 3.312 2.787 3.593 . 0 0 "[ . 1 . 2]" 2
870 1 109 PHE HA 1 110 ASP H 3.320 . 3.320 2.374 2.132 2.613 . 0 0 "[ . 1 . 2]" 2
871 1 3 MET HA 1 3 MET HG3 4.130 . 4.130 3.245 2.459 3.806 . 0 0 "[ . 1 . 2]" 2
872 1 7 PHE QE 1 15 LEU HA 4.340 . 4.340 1.940 1.789 2.145 0.011 6 0 "[ . 1 . 2]" 2
873 1 53 ASP HA 1 58 LEU MD2 3.770 . 3.770 2.035 1.869 2.414 . 0 0 "[ . 1 . 2]" 2
874 1 56 ALA HA 1 59 ASP HB3 4.240 . 4.240 3.559 3.187 3.769 . 0 0 "[ . 1 . 2]" 2
875 1 56 ALA HA 1 59 ASP H 4.320 . 4.320 3.884 3.746 4.011 . 0 0 "[ . 1 . 2]" 2
876 1 56 ALA HA 1 59 ASP HB2 4.370 . 4.370 4.372 4.126 4.469 0.099 20 0 "[ . 1 . 2]" 2
877 1 21 HIS HA 1 100 GLU HA 3.480 . 3.480 2.254 1.982 2.721 . 0 0 "[ . 1 . 2]" 2
878 1 100 GLU HA 1 101 LEU H 3.170 . 3.170 2.142 2.023 2.312 . 0 0 "[ . 1 . 2]" 2
879 1 25 ARG H 1 25 ARG HA 2.820 . 2.820 2.824 2.787 2.842 0.022 3 0 "[ . 1 . 2]" 2
880 1 15 LEU HA 1 15 LEU MD1 4.130 . 4.130 3.831 3.806 3.867 . 0 0 "[ . 1 . 2]" 2
881 1 15 LEU HA 1 16 LYS H 3.310 . 3.310 1.988 1.892 2.090 . 0 0 "[ . 1 . 2]" 2
882 1 53 ASP HA 1 57 ALA MB 4.580 . 4.580 3.666 3.392 4.621 0.041 9 0 "[ . 1 . 2]" 2
883 1 72 ASN HA 1 73 ASP H 3.280 . 3.280 2.657 1.987 3.406 0.126 19 0 "[ . 1 . 2]" 2
884 1 63 GLU HA 1 63 GLU QG 3.440 . 3.440 2.547 2.346 3.328 . 0 0 "[ . 1 . 2]" 2
885 1 29 ARG HA 1 93 ILE HG12 3.280 . 3.280 3.150 2.510 3.364 0.084 13 0 "[ . 1 . 2]" 2
886 1 82 ALA HA 1 85 VAL H 3.980 . 3.980 3.937 3.801 4.012 0.032 15 0 "[ . 1 . 2]" 2
887 1 82 ALA HA 1 86 LYS H 4.450 . 4.450 4.087 3.967 4.297 . 0 0 "[ . 1 . 2]" 2
888 1 82 ALA HA 1 85 VAL QG 3.520 . 3.520 2.107 1.938 2.362 . 0 0 "[ . 1 . 2]" 2
889 1 57 ALA HA 1 60 GLY H 4.680 . 4.680 3.859 3.456 4.129 . 0 0 "[ . 1 . 2]" 2
890 1 23 LYS HA 1 99 LEU H 3.510 . 3.510 2.719 2.433 2.951 . 0 0 "[ . 1 . 2]" 2
891 1 23 LYS HA 1 98 ASP HB3 4.960 . 4.960 4.577 4.288 5.036 0.076 17 0 "[ . 1 . 2]" 2
892 1 23 LYS HA 1 97 VAL MG2 4.970 . 4.970 4.056 3.653 4.387 . 0 0 "[ . 1 . 2]" 2
893 1 63 GLU HA 1 64 THR H 2.800 . 2.800 2.344 2.195 2.447 . 0 0 "[ . 1 . 2]" 2
894 1 23 LYS HA 1 24 LEU H 2.960 . 2.960 2.164 2.086 2.223 . 0 0 "[ . 1 . 2]" 2
895 1 22 THR MG 1 23 LYS HA 5.060 . 5.060 4.342 4.017 4.501 . 0 0 "[ . 1 . 2]" 2
896 1 18 LYS HA 1 19 PHE H 2.740 . 2.740 2.217 2.032 2.333 . 0 0 "[ . 1 . 2]" 2
897 1 43 GLU HA 1 44 PHE H 3.210 . 3.210 2.014 1.892 2.122 . 0 0 "[ . 1 . 2]" 2
898 1 112 ASP HA 1 112 ASP HB2 3.000 . 3.000 2.455 2.350 3.007 0.007 10 0 "[ . 1 . 2]" 2
899 1 5 LYS HA 1 5 LYS QG 3.590 . 3.590 2.448 2.231 2.653 . 0 0 "[ . 1 . 2]" 2
900 1 5 LYS HA 1 6 PRO HD3 2.890 . 2.890 2.304 1.928 2.502 . 0 0 "[ . 1 . 2]" 2
901 1 16 LYS HA 1 17 GLY H 2.930 . 2.930 2.476 2.296 2.719 . 0 0 "[ . 1 . 2]" 2
902 1 16 LYS HA 1 16 LYS HG3 3.430 . 3.430 3.541 3.481 3.584 0.154 17 0 "[ . 1 . 2]" 2
903 1 126 ASP HA 1 127 LYS H 2.890 . 2.890 2.249 1.958 3.048 0.158 19 0 "[ . 1 . 2]" 2
904 1 21 HIS HA 1 101 LEU H 3.890 . 3.890 3.201 2.929 3.588 . 0 0 "[ . 1 . 2]" 2
905 1 21 HIS HA 1 22 THR H 2.890 . 2.890 2.071 1.997 2.175 . 0 0 "[ . 1 . 2]" 2
906 1 24 LEU H 1 98 ASP HA 4.130 . 4.130 3.652 3.423 3.866 . 0 0 "[ . 1 . 2]" 2
907 1 45 LEU HA 1 45 LEU HG 4.220 . 4.220 2.549 2.435 2.734 . 0 0 "[ . 1 . 2]" 2
908 1 99 LEU HA 1 100 GLU H 3.280 . 3.280 2.099 1.967 2.215 . 0 0 "[ . 1 . 2]" 2
909 1 99 LEU HA 1 99 LEU MD2 3.760 . 3.760 3.512 2.875 3.794 0.034 4 0 "[ . 1 . 2]" 2
910 1 50 LEU HA 1 50 LEU MD2 3.790 . 3.790 3.608 2.069 3.973 0.183 16 0 "[ . 1 . 2]" 2
911 1 125 LEU HA 1 125 LEU QD 3.470 . 3.470 2.626 1.905 3.437 . 0 0 "[ . 1 . 2]" 2
912 1 98 ASP HA 1 99 LEU H 2.930 . 2.930 2.165 2.049 2.232 . 0 0 "[ . 1 . 2]" 2
913 1 23 LYS HA 1 98 ASP HA 3.570 . 3.570 2.120 1.967 2.399 . 0 0 "[ . 1 . 2]" 2
914 1 45 LEU HA 1 46 GLN H 3.260 . 3.260 2.275 2.210 2.382 . 0 0 "[ . 1 . 2]" 2
915 1 115 ASN HA 1 115 ASN HB2 2.960 . 2.960 3.009 2.991 3.022 0.062 2 0 "[ . 1 . 2]" 2
916 1 115 ASN H 1 115 ASN HA 2.770 . 2.770 2.260 2.036 2.848 0.078 16 0 "[ . 1 . 2]" 2
917 1 115 ASN HA 1 116 THR H 3.440 . 3.440 2.523 1.946 3.472 0.032 4 0 "[ . 1 . 2]" 2
918 1 107 LEU HA 1 108 PRO HD2 3.900 . 3.900 2.678 2.423 2.957 . 0 0 "[ . 1 . 2]" 2
919 1 107 LEU HA 1 108 PRO HD3 3.710 . 3.710 2.156 1.896 2.450 . 0 0 "[ . 1 . 2]" 2
920 1 107 LEU HA 1 107 LEU MD2 3.740 . 3.740 2.137 1.956 2.366 . 0 0 "[ . 1 . 2]" 2
921 1 46 GLN HE21 1 107 LEU HA 4.520 . 4.520 3.995 3.195 4.603 0.083 10 0 "[ . 1 . 2]" 2
922 1 46 GLN HE22 1 107 LEU HA 4.240 . 4.240 3.185 2.384 4.087 . 0 0 "[ . 1 . 2]" 2
923 1 23 LYS QB 1 98 ASP HA 3.730 . 3.730 3.221 3.075 3.417 . 0 0 "[ . 1 . 2]" 2
924 1 45 LEU HA 1 45 LEU MD1 3.650 . 3.650 3.244 3.108 3.388 . 0 0 "[ . 1 . 2]" 2
925 1 46 GLN HA 1 68 ILE HA 5.030 . 5.030 5.151 5.071 5.212 0.182 8 0 "[ . 1 . 2]" 2
926 1 46 GLN HA 1 47 ILE MD 4.710 . 4.710 3.655 2.859 4.002 . 0 0 "[ . 1 . 2]" 2
927 1 46 GLN HA 1 47 ILE H 3.560 . 3.560 2.359 2.218 2.577 . 0 0 "[ . 1 . 2]" 2
928 1 40 GLU HA 1 41 PRO HD3 2.900 . 2.900 1.919 1.828 2.008 . 0 0 "[ . 1 . 2]" 2
929 1 24 LEU HA 1 24 LEU MD1 3.270 . 3.270 2.017 1.927 2.101 . 0 0 "[ . 1 . 2]" 2
930 1 101 LEU HA 1 102 CYS H 3.460 . 3.460 2.312 2.190 2.405 . 0 0 "[ . 1 . 2]" 2
931 1 69 VAL H 1 101 LEU HA 4.240 . 4.240 2.466 2.272 3.071 . 0 0 "[ . 1 . 2]" 2
932 1 68 ILE HA 1 101 LEU HA 4.140 . 4.140 2.999 2.596 3.386 . 0 0 "[ . 1 . 2]" 2
933 1 101 LEU HA 1 102 CYS QB 4.890 . 4.890 4.111 3.709 4.434 . 0 0 "[ . 1 . 2]" 2
934 1 24 LEU HA 1 24 LEU HG 3.260 . 3.260 2.666 2.564 2.776 . 0 0 "[ . 1 . 2]" 2
935 1 24 LEU HA 1 25 ARG QB 4.460 . 4.460 3.902 3.714 3.997 . 0 0 "[ . 1 . 2]" 2
936 1 91 ILE MD 1 92 PRO HD2 5.500 . 5.500 4.023 3.674 4.388 . 0 0 "[ . 1 . 2]" 2
937 1 122 VAL QG 1 123 ALA HA 4.530 . 4.530 3.608 3.089 4.214 . 0 0 "[ . 1 . 2]" 2
938 1 123 ALA HA 1 124 ILE H 3.090 . 3.090 2.271 2.039 2.502 . 0 0 "[ . 1 . 2]" 2
939 1 91 ILE HA 1 92 PRO HD2 4.030 . 4.030 2.961 2.816 3.251 . 0 0 "[ . 1 . 2]" 2
940 1 113 ASP HB2 1 114 PRO QD 4.720 . 4.720 3.830 3.487 4.256 . 0 0 "[ . 1 . 2]" 2
941 1 113 ASP HA 1 114 PRO QD 3.120 . 3.120 1.950 1.881 2.132 . 0 0 "[ . 1 . 2]" 2
942 1 110 ASP HB2 1 111 PRO HD2 4.700 . 4.700 4.536 4.000 4.755 0.055 9 0 "[ . 1 . 2]" 2
943 1 110 ASP HA 1 111 PRO HD2 3.090 . 3.090 3.198 3.122 3.262 0.172 12 0 "[ . 1 . 2]" 2
944 1 12 PRO HD2 1 77 LEU MD2 4.700 . 4.700 3.875 3.071 4.460 . 0 0 "[ . 1 . 2]" 2
945 1 12 PRO HD2 1 13 SER H 4.630 . 4.630 2.569 2.269 2.929 . 0 0 "[ . 1 . 2]" 2
946 1 12 PRO HD3 1 13 SER H 4.790 . 4.790 3.705 3.506 3.926 . 0 0 "[ . 1 . 2]" 2
947 1 5 LYS HA 1 6 PRO HD2 2.960 . 2.960 2.472 2.191 2.973 0.013 12 0 "[ . 1 . 2]" 2
948 1 111 PRO HD2 1 112 ASP H 4.290 . 4.290 2.067 1.848 2.385 . 0 0 "[ . 1 . 2]" 2
949 1 107 LEU MD1 1 111 PRO HD2 4.890 . 4.890 4.474 3.228 4.973 0.083 15 0 "[ . 1 . 2]" 2
950 1 111 PRO HD3 1 112 ASP HA 4.960 . 4.960 5.193 5.146 5.286 0.326 7 0 "[ . 1 . 2]" 2
951 1 111 PRO HD3 1 112 ASP H 4.510 . 4.510 2.965 2.831 3.121 . 0 0 "[ . 1 . 2]" 2
952 1 110 ASP HA 1 111 PRO HD3 3.380 . 3.380 1.776 1.734 1.808 0.066 16 0 "[ . 1 . 2]" 2
953 1 105 TYR HA 1 106 PRO QD 3.930 . 3.930 1.968 1.877 2.222 . 0 0 "[ . 1 . 2]" 2
954 1 110 ASP HB2 1 111 PRO HD3 4.860 . 4.860 3.901 3.577 4.296 . 0 0 "[ . 1 . 2]" 2
955 1 110 ASP HB3 1 111 PRO HD3 4.680 . 4.680 3.275 2.423 4.158 . 0 0 "[ . 1 . 2]" 2
956 1 107 LEU MD1 1 111 PRO HD3 4.900 . 4.900 3.504 2.007 4.412 . 0 0 "[ . 1 . 2]" 2
957 1 5 LYS HB3 1 6 PRO HD3 3.830 . 3.830 3.599 3.042 3.869 0.039 4 0 "[ . 1 . 2]" 2
958 1 5 LYS QG 1 6 PRO HD3 4.050 . 4.050 4.033 3.798 4.107 0.057 20 0 "[ . 1 . 2]" 2
959 1 110 ASP HA 1 111 PRO QG 3.980 . 3.980 3.175 3.005 3.344 . 0 0 "[ . 1 . 2]" 2
960 1 128 GLU HA 1 129 PRO HD2 3.100 . 3.100 2.468 2.129 2.764 . 0 0 "[ . 1 . 2]" 2
961 1 128 GLU HA 1 129 PRO HD3 3.040 . 3.040 2.086 1.899 2.302 . 0 0 "[ . 1 . 2]" 2
962 1 40 GLU H 1 41 PRO HD2 5.080 . 5.080 5.147 5.112 5.192 0.112 14 0 "[ . 1 . 2]" 2
963 1 40 GLU HB3 1 41 PRO HD3 3.900 . 3.900 2.919 2.184 3.190 . 0 0 "[ . 1 . 2]" 2
964 1 40 GLU HA 1 41 PRO HD2 3.220 . 3.220 3.241 3.169 3.294 0.074 3 0 "[ . 1 . 2]" 2
965 1 40 GLU HB2 1 41 PRO HD3 3.510 . 3.510 2.464 2.162 3.524 0.014 9 0 "[ . 1 . 2]" 2
966 1 107 LEU MD2 1 108 PRO HD2 4.530 . 4.530 3.997 3.307 4.544 0.014 16 0 "[ . 1 . 2]" 2
967 1 46 GLN HE22 1 108 PRO HD3 5.120 . 5.120 3.714 2.357 5.128 0.008 16 0 "[ . 1 . 2]" 2
968 1 107 LEU HB3 1 108 PRO HD3 4.700 . 4.700 4.660 4.438 4.731 0.031 13 0 "[ . 1 . 2]" 2
969 1 107 LEU MD2 1 108 PRO HD3 4.300 . 4.300 3.744 3.318 4.263 . 0 0 "[ . 1 . 2]" 2
970 1 11 ASN HA 1 12 PRO QG . . 3.960 3.821 3.740 3.961 0.001 1 0 "[ . 1 . 2]" 2
971 1 11 ASN HA 1 12 PRO HD2 3.300 . 3.300 2.099 1.956 2.273 . 0 0 "[ . 1 . 2]" 2
972 1 11 ASN HA 1 12 PRO HD3 3.330 . 3.330 2.515 2.254 2.916 . 0 0 "[ . 1 . 2]" 2
973 1 11 ASN HA 1 11 ASN HD21 4.420 . 4.420 3.126 1.938 4.297 . 0 0 "[ . 1 . 2]" 2
974 1 24 LEU MD1 1 55 PRO HD2 5.500 . 5.500 4.291 4.162 4.413 . 0 0 "[ . 1 . 2]" 2
975 1 55 PRO HD2 1 56 ALA H 5.020 . 5.020 1.829 1.782 1.959 0.018 15 0 "[ . 1 . 2]" 2
976 1 55 PRO HD3 1 56 ALA H 4.560 . 4.560 3.281 3.198 3.377 . 0 0 "[ . 1 . 2]" 2
977 1 54 GLY H 1 55 PRO HD3 5.000 . 5.000 4.921 4.727 5.004 0.004 4 0 "[ . 1 . 2]" 2
978 1 55 PRO HD3 1 56 ALA MB 5.450 . 5.450 4.463 4.286 4.675 . 0 0 "[ . 1 . 2]" 2
979 1 24 LEU MD1 1 55 PRO HD3 5.500 . 5.500 5.560 5.507 5.622 0.122 16 0 "[ . 1 . 2]" 2
980 1 11 ASN HA 1 13 SER H 4.300 . 4.300 3.319 3.131 3.595 . 0 0 "[ . 1 . 2]" 2
981 1 24 LEU HB2 1 97 VAL MG2 4.960 . 4.960 3.004 2.710 3.379 . 0 0 "[ . 1 . 2]" 2
982 1 24 LEU HB2 1 25 ARG H 4.950 . 4.950 4.408 4.312 4.539 . 0 0 "[ . 1 . 2]" 2
983 1 60 GLY QA 1 61 LYS HB3 4.550 . 4.550 4.566 3.945 4.776 0.226 19 0 "[ . 1 . 2]" 2
984 1 60 GLY QA 1 62 MET H 4.620 . 4.620 3.639 3.114 4.558 . 0 0 "[ . 1 . 2]" 2
985 1 38 GLY HA3 1 45 LEU MD2 4.410 . 4.410 3.097 2.751 3.445 . 0 0 "[ . 1 . 2]" 2
986 1 38 GLY HA3 1 45 LEU HG 4.830 . 4.830 1.847 1.782 1.984 0.018 6 0 "[ . 1 . 2]" 2
987 1 38 GLY HA2 1 45 LEU MD2 4.490 . 4.490 4.425 4.172 4.525 0.035 8 0 "[ . 1 . 2]" 2
988 1 99 LEU QB 1 100 GLU HA 5.050 . 5.050 4.353 4.127 4.704 . 0 0 "[ . 1 . 2]" 2
989 1 98 ASP HA 1 99 LEU QB 4.800 . 4.800 4.173 3.935 4.541 . 0 0 "[ . 1 . 2]" 2
990 1 38 GLY HA2 1 39 ASP HA 4.790 . 4.790 4.383 4.246 4.590 . 0 0 "[ . 1 . 2]" 2
991 1 32 GLY HA2 1 51 VAL MG1 5.060 . 5.060 3.156 2.921 3.476 . 0 0 "[ . 1 . 2]" 2
992 1 32 GLY HA2 1 51 VAL HB 4.570 . 4.570 2.778 2.497 3.030 . 0 0 "[ . 1 . 2]" 2
993 1 78 GLY HA3 1 79 HIS H 3.400 . 3.400 3.501 3.436 3.534 0.134 3 0 "[ . 1 . 2]" 2
994 1 17 GLY HA2 1 104 GLY HA3 4.980 . 4.980 3.281 2.877 4.178 . 0 0 "[ . 1 . 2]" 2
995 1 103 ARG QG 1 104 GLY HA2 4.680 . 4.680 3.280 3.101 3.494 . 0 0 "[ . 1 . 2]" 2
996 1 17 GLY HA2 1 104 GLY HA2 4.730 . 4.730 4.173 3.673 4.762 0.032 15 0 "[ . 1 . 2]" 2
997 1 4 GLY QA 1 5 LYS QG 4.970 . 4.970 4.643 4.197 5.011 0.041 4 0 "[ . 1 . 2]" 2
998 1 4 GLY QA 1 5 LYS QD 4.910 . 4.910 3.278 2.455 3.932 . 0 0 "[ . 1 . 2]" 2
999 1 54 GLY HA3 1 56 ALA H 3.950 . 3.950 3.483 3.396 3.580 . 0 0 "[ . 1 . 2]" 2
1000 1 54 GLY HA3 1 58 LEU HG 3.950 . 3.950 4.188 4.154 4.296 0.346 9 0 "[ . 1 . 2]" 2
1001 1 94 GLY QA 1 95 ALA MB 4.720 . 4.720 4.084 3.994 4.185 . 0 0 "[ . 1 . 2]" 2
1002 1 25 ARG HG3 1 94 GLY QA 4.690 . 4.690 4.305 3.939 4.687 . 0 0 "[ . 1 . 2]" 2
1003 1 54 GLY HA2 1 55 PRO HG2 5.010 . 5.010 4.925 4.798 5.016 0.006 19 0 "[ . 1 . 2]" 2
1004 1 54 GLY HA2 1 56 ALA MB 5.230 . 5.230 4.997 4.782 5.206 . 0 0 "[ . 1 . 2]" 2
1005 1 93 ILE HB 1 94 GLY QA 4.580 . 4.580 4.138 4.006 4.434 . 0 0 "[ . 1 . 2]" 2
1006 1 66 ASP HB3 1 101 LEU QB 5.010 . 5.010 3.076 2.048 4.770 . 0 0 "[ . 1 . 2]" 2
1007 1 101 LEU QB 1 101 LEU QD . . 2.750 1.937 1.883 2.046 . 0 0 "[ . 1 . 2]" 2
1008 1 17 GLY HA3 1 18 LYS H 3.330 . 3.330 2.053 1.993 2.110 . 0 0 "[ . 1 . 2]" 2
1009 1 17 GLY HA2 1 18 LYS H 3.470 . 3.470 3.201 2.994 3.356 . 0 0 "[ . 1 . 2]" 2
1010 1 17 GLY HA2 1 18 LYS QD 4.190 . 4.190 3.472 2.826 4.207 0.017 17 0 "[ . 1 . 2]" 2
1011 1 17 GLY HA2 1 18 LYS HG2 5.280 . 5.280 4.735 3.932 5.296 0.016 5 0 "[ . 1 . 2]" 2
1012 1 47 ILE MG 1 65 GLY HA2 5.340 . 5.340 5.275 4.974 5.381 0.041 19 0 "[ . 1 . 2]" 2
1013 1 65 GLY HA2 1 107 LEU H 5.000 . 5.000 4.423 3.270 5.045 0.045 6 0 "[ . 1 . 2]" 2
1014 1 17 GLY HA3 1 18 LYS HA 4.440 . 4.440 4.360 4.290 4.434 . 0 0 "[ . 1 . 2]" 2
1015 1 65 GLY HA2 1 66 ASP HA 5.110 . 5.110 4.717 4.318 4.939 . 0 0 "[ . 1 . 2]" 2
1016 1 65 GLY HA2 1 107 LEU HB2 4.170 . 4.170 3.943 2.755 4.245 0.075 11 0 "[ . 1 . 2]" 2
1017 1 65 GLY HA2 1 107 LEU MD2 4.520 . 4.520 2.481 1.935 3.523 . 0 0 "[ . 1 . 2]" 2
1018 1 58 LEU HB3 1 59 ASP HB2 5.460 . 5.460 5.025 4.697 5.264 . 0 0 "[ . 1 . 2]" 2
1019 1 117 SER HA 1 118 LEU QB 4.640 . 4.640 4.456 4.105 4.684 0.044 19 0 "[ . 1 . 2]" 2
1020 1 118 LEU QB 1 119 VAL H 4.510 . 4.510 3.322 2.950 3.540 . 0 0 "[ . 1 . 2]" 2
1021 1 118 LEU H 1 118 LEU QB 3.600 . 3.600 2.507 2.039 2.753 . 0 0 "[ . 1 . 2]" 2
1022 1 118 LEU QB 1 118 LEU HG 2.730 . 2.730 2.199 2.072 2.321 . 0 0 "[ . 1 . 2]" 2
1023 1 36 VAL MG2 1 37 GLY HA2 4.880 . 4.880 4.529 4.156 4.772 . 0 0 "[ . 1 . 2]" 2
1024 1 37 GLY HA2 1 45 LEU HA 4.660 . 4.660 4.182 3.706 4.676 0.016 16 0 "[ . 1 . 2]" 2
1025 1 37 GLY HA3 1 43 GLU HG3 5.080 . 5.080 3.683 2.805 4.869 . 0 0 "[ . 1 . 2]" 2
1026 1 10 ARG H 1 10 ARG QD 4.410 . 4.410 4.432 4.031 4.608 0.198 6 0 "[ . 1 . 2]" 2
1027 1 10 ARG HA 1 10 ARG QD 4.190 . 4.190 3.938 2.279 4.287 0.097 19 0 "[ . 1 . 2]" 2
1028 1 10 ARG QD 1 11 ASN H 4.800 . 4.800 4.668 3.992 5.155 0.355 11 0 "[ . 1 . 2]" 2
1029 1 10 ARG HB2 1 10 ARG QD 3.320 . 3.320 2.556 2.005 3.010 . 0 0 "[ . 1 . 2]" 2
1030 1 25 ARG H 1 25 ARG QD 4.310 . 4.310 4.357 4.264 4.420 0.110 10 0 "[ . 1 . 2]" 2
1031 1 72 ASN H 1 98 ASP HB2 3.750 . 3.750 2.923 2.545 3.836 0.086 17 0 "[ . 1 . 2]" 2
1032 1 98 ASP H 1 98 ASP HB2 3.350 . 3.350 2.331 2.162 2.722 . 0 0 "[ . 1 . 2]" 2
1033 1 72 ASN HA 1 98 ASP HB2 3.610 . 3.610 2.711 2.084 3.648 0.038 17 0 "[ . 1 . 2]" 2
1034 1 98 ASP HB2 1 99 LEU H 4.410 . 4.410 4.345 4.272 4.473 0.063 17 0 "[ . 1 . 2]" 2
1035 1 103 ARG HD2 1 103 ARG QH2 4.170 . 4.170 4.041 3.917 4.220 0.050 15 0 "[ . 1 . 2]" 2
1036 1 103 ARG HA 1 103 ARG HD2 5.070 . 5.070 3.793 3.172 4.975 . 0 0 "[ . 1 . 2]" 2
1037 1 29 ARG H 1 29 ARG QD 4.200 . 4.200 3.627 2.357 4.399 0.199 20 0 "[ . 1 . 2]" 2
1038 1 29 ARG HA 1 29 ARG QD 3.480 . 3.480 2.858 1.974 3.814 0.334 6 0 "[ . 1 . 2]" 2
1039 1 29 ARG HB2 1 29 ARG QD 3.320 . 3.320 2.754 1.986 3.406 0.086 12 0 "[ . 1 . 2]" 2
1040 1 103 ARG HD3 1 103 ARG QH2 4.380 . 4.380 4.070 3.908 4.233 . 0 0 "[ . 1 . 2]" 2
1041 1 101 LEU QD 1 103 ARG HD3 5.310 . 5.310 4.855 2.718 5.388 0.078 14 0 "[ . 1 . 2]" 2
1042 1 50 LEU HB2 1 51 VAL H 4.880 . 4.880 4.129 3.030 4.634 . 0 0 "[ . 1 . 2]" 2
1043 1 45 LEU HB3 1 46 GLN H 4.380 . 4.380 2.684 2.525 2.822 . 0 0 "[ . 1 . 2]" 2
1044 1 45 LEU H 1 45 LEU HB3 4.080 . 4.080 3.663 3.477 3.758 . 0 0 "[ . 1 . 2]" 2
1045 1 7 PHE QE 1 15 LEU HB2 4.970 . 4.970 4.562 4.298 4.972 0.002 18 0 "[ . 1 . 2]" 2
1046 1 15 LEU H 1 15 LEU HB3 4.100 . 4.100 3.555 3.508 3.594 . 0 0 "[ . 1 . 2]" 2
1047 1 110 ASP HB2 1 112 ASP H 4.520 . 4.520 3.519 2.731 4.491 . 0 0 "[ . 1 . 2]" 2
1048 1 112 ASP H 1 113 ASP HB3 4.850 . 4.850 4.100 3.581 4.591 . 0 0 "[ . 1 . 2]" 2
1049 1 113 ASP HB3 1 114 PRO QD 4.460 . 4.460 4.063 3.577 4.398 . 0 0 "[ . 1 . 2]" 2
1050 1 110 ASP H 1 113 ASP HB2 4.980 . 4.980 4.544 3.619 5.077 0.097 1 0 "[ . 1 . 2]" 2
1051 1 113 ASP H 1 113 ASP HB2 3.470 . 3.470 2.534 2.279 2.981 . 0 0 "[ . 1 . 2]" 2
1052 1 5 LYS HA 1 5 LYS QE 4.440 . 4.440 4.317 4.131 4.663 0.223 5 0 "[ . 1 . 2]" 2
1053 1 112 ASP H 1 113 ASP HB2 4.850 . 4.850 4.201 3.773 4.500 . 0 0 "[ . 1 . 2]" 2
1054 1 86 LYS QE 1 87 ILE H 4.140 . 4.140 3.440 2.944 4.166 0.026 3 0 "[ . 1 . 2]" 2
1055 1 86 LYS QB 1 86 LYS QE 4.130 . 4.130 2.135 1.857 3.819 . 0 0 "[ . 1 . 2]" 2
1056 1 86 LYS QE 1 86 LYS QG 3.080 . 3.080 2.515 2.308 2.884 . 0 0 "[ . 1 . 2]" 2
1057 1 18 LYS QE 1 18 LYS HG3 3.260 . 3.260 2.509 2.327 2.856 . 0 0 "[ . 1 . 2]" 2
1058 1 8 PHE H 1 8 PHE HB2 4.130 . 4.130 3.530 3.375 3.620 . 0 0 "[ . 1 . 2]" 2
1059 1 110 ASP HB3 1 111 PRO HD2 4.460 . 4.460 3.642 2.633 4.642 0.182 16 0 "[ . 1 . 2]" 2
1060 1 20 ILE H 1 20 ILE HB 3.750 . 3.750 3.789 3.756 3.810 0.060 14 0 "[ . 1 . 2]" 2
1061 1 20 ILE HB 1 20 ILE MD 3.590 . 3.590 3.273 3.248 3.294 . 0 0 "[ . 1 . 2]" 2
1062 1 20 ILE HB 1 21 HIS HA 4.950 . 4.950 4.199 3.906 4.411 . 0 0 "[ . 1 . 2]" 2
1063 1 110 ASP H 1 110 ASP HB2 3.910 . 3.910 2.647 2.455 2.943 . 0 0 "[ . 1 . 2]" 2
1064 1 110 ASP HB3 1 113 ASP H 4.300 . 4.300 3.187 2.691 3.832 . 0 0 "[ . 1 . 2]" 2
1065 1 110 ASP H 1 110 ASP HB3 3.850 . 3.850 3.248 2.301 3.798 . 0 0 "[ . 1 . 2]" 2
1066 1 23 LYS QE 1 96 SER QB 3.870 . 3.870 1.985 1.828 2.170 . 0 0 "[ . 1 . 2]" 2
1067 1 23 LYS QE 1 23 LYS QG 3.420 . 3.420 2.404 2.356 2.448 . 0 0 "[ . 1 . 2]" 2
1068 1 58 LEU HB2 1 58 LEU MD1 3.630 . 3.630 2.107 2.006 3.007 . 0 0 "[ . 1 . 2]" 2
1069 1 52 LEU H 1 52 LEU HB2 3.100 . 3.100 2.472 2.263 2.527 . 0 0 "[ . 1 . 2]" 2
1070 1 52 LEU HB2 1 52 LEU MD2 3.350 . 3.350 3.227 3.179 3.254 . 0 0 "[ . 1 . 2]" 2
1071 1 52 LEU H 1 52 LEU HB3 3.560 . 3.560 3.560 3.494 3.575 0.015 10 0 "[ . 1 . 2]" 2
1072 1 52 LEU HB3 1 53 ASP HB3 5.060 . 5.060 4.810 4.479 5.190 0.130 9 0 "[ . 1 . 2]" 2
1073 1 52 LEU HB3 1 52 LEU MD2 3.220 . 3.220 2.426 2.359 2.480 . 0 0 "[ . 1 . 2]" 2
1074 1 107 LEU HB3 1 108 PRO HD2 5.060 . 5.060 4.831 4.474 5.098 0.038 4 0 "[ . 1 . 2]" 2
1075 1 23 LYS QE 1 96 SER H 4.820 . 4.820 4.853 4.715 4.945 0.125 4 0 "[ . 1 . 2]" 2
1076 1 58 LEU H 1 58 LEU HB3 3.790 . 3.790 3.384 3.346 3.409 . 0 0 "[ . 1 . 2]" 2
1077 1 112 ASP H 1 112 ASP HB2 3.490 . 3.490 2.714 2.306 3.031 . 0 0 "[ . 1 . 2]" 2
1078 1 112 ASP HB2 1 113 ASP H 4.520 . 4.520 3.808 2.842 4.394 . 0 0 "[ . 1 . 2]" 2
1079 1 39 ASP H 1 39 ASP HB3 3.920 . 3.920 2.595 2.296 2.775 . 0 0 "[ . 1 . 2]" 2
1080 1 126 ASP H 1 126 ASP HB2 3.580 . 3.580 3.067 2.308 3.635 0.055 8 0 "[ . 1 . 2]" 2
1081 1 126 ASP HB2 1 127 LYS H 4.330 . 4.330 4.147 2.999 4.423 0.093 13 0 "[ . 1 . 2]" 2
1082 1 112 ASP H 1 112 ASP HB3 3.460 . 3.460 2.526 2.323 3.531 0.071 7 0 "[ . 1 . 2]" 2
1083 1 126 ASP H 1 126 ASP HB3 3.550 . 3.550 2.953 2.434 3.587 0.037 14 0 "[ . 1 . 2]" 2
1084 1 126 ASP HB3 1 127 LYS H 4.540 . 4.540 4.051 2.473 4.543 0.003 8 0 "[ . 1 . 2]" 2
1085 1 24 LEU MD2 1 31 PHE HB3 4.350 . 4.350 3.148 2.717 3.422 . 0 0 "[ . 1 . 2]" 2
1086 1 125 LEU QD 1 126 ASP HB2 5.200 . 5.200 4.294 2.022 5.309 0.109 18 0 "[ . 1 . 2]" 2
1087 1 66 ASP HB2 1 101 LEU QB 4.600 . 4.600 3.618 2.429 4.198 . 0 0 "[ . 1 . 2]" 2
1088 1 125 LEU QD 1 126 ASP HB3 5.120 . 5.120 4.317 2.399 5.266 0.146 20 0 "[ . 1 . 2]" 2
1089 1 44 PHE HB2 1 67 VAL MG1 4.940 . 4.940 4.746 4.494 4.954 0.014 3 0 "[ . 1 . 2]" 2
1090 1 10 ARG HA 1 77 LEU HB3 5.100 . 5.100 4.883 3.269 5.243 0.143 4 0 "[ . 1 . 2]" 2
1091 1 109 PHE QB 1 110 ASP H 3.610 . 3.610 2.838 2.172 3.703 0.093 16 0 "[ . 1 . 2]" 2
1092 1 73 ASP H 1 73 ASP HB2 3.990 . 3.990 3.396 2.760 3.914 . 0 0 "[ . 1 . 2]" 2
1093 1 73 ASP H 1 73 ASP HB3 3.980 . 3.980 3.357 2.407 4.083 0.103 18 0 "[ . 1 . 2]" 2
1094 1 73 ASP HB3 1 74 THR H 4.260 . 4.260 3.298 2.602 4.297 0.037 10 0 "[ . 1 . 2]" 2
1095 1 7 PHE H 1 7 PHE HB2 3.530 . 3.530 3.571 3.456 3.651 0.121 20 0 "[ . 1 . 2]" 2
1096 1 73 ASP HB2 1 74 THR H 4.600 . 4.600 4.106 3.610 4.615 0.015 11 0 "[ . 1 . 2]" 2
1097 1 6 PRO HA 1 7 PHE HB3 4.510 . 4.510 4.497 4.260 4.585 0.075 18 0 "[ . 1 . 2]" 2
1098 1 53 ASP HB2 1 58 LEU MD1 5.340 . 5.340 4.356 4.099 5.011 . 0 0 "[ . 1 . 2]" 2
1099 1 11 ASN H 1 11 ASN HB2 3.750 . 3.750 2.346 2.067 2.496 . 0 0 "[ . 1 . 2]" 2
1100 1 11 ASN H 1 11 ASN HB3 3.570 . 3.570 3.320 2.157 3.652 0.082 9 0 "[ . 1 . 2]" 2
1101 1 11 ASN HB3 1 14 GLU H 4.810 . 4.810 2.186 1.848 3.277 . 0 0 "[ . 1 . 2]" 2
1102 1 11 ASN HB3 1 12 PRO HD2 4.850 . 4.850 3.993 3.390 4.670 . 0 0 "[ . 1 . 2]" 2
1103 1 11 ASN HB3 1 12 PRO HD3 4.990 . 4.990 4.794 4.456 5.052 0.062 13 0 "[ . 1 . 2]" 2
1104 1 9 THR MG 1 11 ASN HB2 4.310 . 4.310 2.189 1.880 2.477 . 0 0 "[ . 1 . 2]" 2
1105 1 53 ASP H 1 53 ASP HB3 4.090 . 4.090 3.649 3.220 3.735 . 0 0 "[ . 1 . 2]" 2
1106 1 52 LEU HB2 1 53 ASP HB3 4.660 . 4.660 4.655 4.348 4.736 0.076 11 0 "[ . 1 . 2]" 2
1107 1 53 ASP HB3 1 58 LEU MD1 4.970 . 4.970 4.596 4.366 5.477 0.507 9 1 "[ . +1 . 2]" 2
1108 1 9 THR MG 1 11 ASN HB3 4.960 . 4.960 3.336 2.072 3.902 . 0 0 "[ . 1 . 2]" 2
1109 1 123 ALA HA 1 124 ILE HB 4.810 . 4.810 4.792 4.505 4.884 0.074 17 0 "[ . 1 . 2]" 2
1110 1 124 ILE H 1 124 ILE HB 3.600 . 3.600 2.624 2.427 3.447 . 0 0 "[ . 1 . 2]" 2
1111 1 124 ILE HB 1 125 LEU H 3.760 . 3.760 2.876 1.980 3.900 0.140 1 0 "[ . 1 . 2]" 2
1112 1 122 VAL QG 1 124 ILE HB 4.290 . 4.290 3.378 2.263 4.193 . 0 0 "[ . 1 . 2]" 2
1113 1 124 ILE HB 1 125 LEU HA 5.110 . 5.110 4.447 4.062 4.996 . 0 0 "[ . 1 . 2]" 2
1114 1 52 LEU HB3 1 53 ASP HB2 4.700 . 4.700 4.156 3.914 4.727 0.027 9 0 "[ . 1 . 2]" 2
1115 1 115 ASN HB2 1 116 THR H 4.400 . 4.400 4.045 2.317 4.435 0.035 17 0 "[ . 1 . 2]" 2
1116 1 115 ASN HB2 1 115 ASN HD22 4.090 . 4.090 3.987 3.781 4.073 . 0 0 "[ . 1 . 2]" 2
1117 1 115 ASN HB3 1 116 THR H 4.650 . 4.650 3.939 2.887 4.399 . 0 0 "[ . 1 . 2]" 2
1118 1 91 ILE H 1 91 ILE HB 3.770 . 3.770 2.539 2.103 3.479 . 0 0 "[ . 1 . 2]" 2
1119 1 88 PHE HB2 1 89 GLN H 4.940 . 4.940 2.993 2.849 3.078 . 0 0 "[ . 1 . 2]" 2
1120 1 88 PHE HB3 1 89 GLN H 4.890 . 4.890 3.552 3.334 3.697 . 0 0 "[ . 1 . 2]" 2
1121 1 46 GLN H 1 46 GLN HG3 5.110 . 5.110 4.699 4.584 4.853 . 0 0 "[ . 1 . 2]" 2
1122 1 42 ASP HB2 1 43 GLU H 4.520 . 4.520 4.096 3.754 4.377 . 0 0 "[ . 1 . 2]" 2
1123 1 87 ILE HB 1 88 PHE H 3.970 . 3.970 2.336 2.237 2.466 . 0 0 "[ . 1 . 2]" 2
1124 1 68 ILE HB 1 69 VAL H 4.850 . 4.850 4.255 4.174 4.313 . 0 0 "[ . 1 . 2]" 2
1125 1 68 ILE H 1 68 ILE HB 4.120 . 4.120 2.443 2.390 2.528 . 0 0 "[ . 1 . 2]" 2
1126 1 45 LEU HB2 1 68 ILE HB 4.720 . 4.720 1.919 1.777 2.255 0.023 17 0 "[ . 1 . 2]" 2
1127 1 9 THR MG 1 14 GLU QG 4.840 . 4.840 3.537 3.354 3.592 . 0 0 "[ . 1 . 2]" 2
1128 1 67 VAL HA 1 68 ILE HB 4.970 . 4.970 4.405 4.302 4.624 . 0 0 "[ . 1 . 2]" 2
1129 1 47 ILE MD 1 68 ILE HB 5.250 . 5.250 3.900 3.535 4.132 . 0 0 "[ . 1 . 2]" 2
1130 1 14 GLU H 1 14 GLU QG 4.000 . 4.000 2.325 2.210 2.474 . 0 0 "[ . 1 . 2]" 2
1131 1 14 GLU HA 1 14 GLU QG 3.730 . 3.730 3.384 3.360 3.408 . 0 0 "[ . 1 . 2]" 2
1132 1 8 PHE H 1 14 GLU QG 5.230 . 5.230 5.260 5.130 5.317 0.087 2 0 "[ . 1 . 2]" 2
1133 1 11 ASN HB2 1 14 GLU QG 5.000 . 5.000 3.238 2.759 4.583 . 0 0 "[ . 1 . 2]" 2
1134 1 93 ILE H 1 93 ILE HB 3.260 . 3.260 2.608 2.448 2.706 . 0 0 "[ . 1 . 2]" 2
1135 1 36 VAL HB 1 37 GLY H 4.700 . 4.700 2.924 2.003 3.348 . 0 0 "[ . 1 . 2]" 2
1136 1 43 GLU H 1 43 GLU HG2 4.650 . 4.650 4.614 4.429 4.772 0.122 5 0 "[ . 1 . 2]" 2
1137 1 47 ILE H 1 47 ILE HB 4.070 . 4.070 2.731 2.646 2.839 . 0 0 "[ . 1 . 2]" 2
1138 1 47 ILE HB 1 65 GLY H 4.340 . 4.340 2.048 1.794 2.410 0.006 9 0 "[ . 1 . 2]" 2
1139 1 40 GLU H 1 43 GLU HG2 4.850 . 4.850 4.395 3.834 4.872 0.022 5 0 "[ . 1 . 2]" 2
1140 1 43 GLU HG2 1 44 PHE H 4.860 . 4.860 3.980 3.045 4.695 . 0 0 "[ . 1 . 2]" 2
1141 1 63 GLU QG 1 103 ARG HH11 5.290 . 5.290 4.113 2.760 5.143 . 0 0 "[ . 1 . 2]" 2
1142 1 43 GLU H 1 43 GLU HG3 4.960 . 4.960 4.544 4.314 4.773 . 0 0 "[ . 1 . 2]" 2
1143 1 72 ASN HB2 1 73 ASP H 4.210 . 4.210 3.715 2.844 4.346 0.136 18 0 "[ . 1 . 2]" 2
1144 1 71 VAL MG2 1 72 ASN HB3 5.500 . 5.500 3.372 2.430 4.493 . 0 0 "[ . 1 . 2]" 2
1145 1 72 ASN HB3 1 73 ASP H 4.490 . 4.490 3.655 1.780 4.507 0.020 19 0 "[ . 1 . 2]" 2
1146 1 63 GLU H 1 63 GLU QG 3.790 . 3.790 3.119 2.362 3.450 . 0 0 "[ . 1 . 2]" 2
1147 1 128 GLU HB2 1 128 GLU QG 2.600 . 2.600 2.271 2.150 2.369 . 0 0 "[ . 1 . 2]" 2
1148 1 128 GLU H 1 128 GLU QG 4.520 . 4.520 2.927 1.875 4.069 . 0 0 "[ . 1 . 2]" 2
1149 1 63 GLU QG 1 103 ARG QH2 4.880 . 4.880 2.903 2.041 4.294 . 0 0 "[ . 1 . 2]" 2
1150 1 50 LEU MD2 1 63 GLU QG 5.170 . 5.170 3.216 2.366 4.695 . 0 0 "[ . 1 . 2]" 2
1151 1 63 GLU QG 1 103 ARG HE 4.950 . 4.950 4.406 1.787 5.003 0.053 18 0 "[ . 1 . 2]" 2
1152 1 62 MET HA 1 63 GLU QG 4.980 . 4.980 3.576 3.340 3.972 . 0 0 "[ . 1 . 2]" 2
1153 1 97 VAL HB 1 98 ASP H 4.040 . 4.040 2.418 2.089 2.837 . 0 0 "[ . 1 . 2]" 2
1154 1 62 MET HB2 1 62 MET ME 4.100 . 4.100 3.414 2.042 4.141 0.041 6 0 "[ . 1 . 2]" 2
1155 1 62 MET HB2 1 101 LEU QD 3.840 . 3.840 3.161 2.550 3.976 0.136 3 0 "[ . 1 . 2]" 2
1156 1 62 MET HB3 1 63 GLU H 4.120 . 4.120 3.746 2.495 4.159 0.039 19 0 "[ . 1 . 2]" 2
1157 1 62 MET HB3 1 101 LEU QD 3.830 . 3.830 3.668 2.778 3.992 0.162 16 0 "[ . 1 . 2]" 2
1158 1 39 ASP HB3 1 40 GLU HG3 5.080 . 5.080 3.358 2.182 3.791 . 0 0 "[ . 1 . 2]" 2
1159 1 72 ASN HD22 1 97 VAL HB 5.100 . 5.100 4.603 1.733 5.195 0.095 9 0 "[ . 1 . 2]" 2
1160 1 62 MET H 1 62 MET HB3 4.100 . 4.100 2.891 2.376 3.775 . 0 0 "[ . 1 . 2]" 2
1161 1 62 MET HB3 1 62 MET ME 4.050 . 4.050 3.251 2.011 3.996 . 0 0 "[ . 1 . 2]" 2
1162 1 22 THR MG 1 62 MET HB3 4.680 . 4.680 4.000 2.965 4.739 0.059 11 0 "[ . 1 . 2]" 2
1163 1 39 ASP H 1 40 GLU HG2 5.180 . 5.180 3.674 2.892 4.508 . 0 0 "[ . 1 . 2]" 2
1164 1 40 GLU H 1 40 GLU HG2 3.870 . 3.870 2.698 2.356 3.422 . 0 0 "[ . 1 . 2]" 2
1165 1 40 GLU HA 1 40 GLU HG2 3.590 . 3.590 3.481 2.713 3.630 0.040 19 0 "[ . 1 . 2]" 2
1166 1 40 GLU HA 1 40 GLU HG3 3.750 . 3.750 3.738 3.456 3.834 0.084 3 0 "[ . 1 . 2]" 2
1167 1 40 GLU HG3 1 41 PRO HD3 4.420 . 4.420 4.427 4.225 4.598 0.178 9 0 "[ . 1 . 2]" 2
1168 1 23 LYS QB 1 24 LEU H 4.240 . 4.240 3.731 3.669 3.799 . 0 0 "[ . 1 . 2]" 2
1169 1 23 LYS QB 1 23 LYS QE 4.120 . 4.120 3.843 3.799 3.891 . 0 0 "[ . 1 . 2]" 2
1170 1 23 LYS QB 1 99 LEU H 4.500 . 4.500 4.475 4.286 4.565 0.065 19 0 "[ . 1 . 2]" 2
1171 1 35 VAL HB 1 36 VAL H 3.870 . 3.870 3.206 2.457 3.940 0.070 2 0 "[ . 1 . 2]" 2
1172 1 35 VAL H 1 35 VAL HB 4.030 . 4.030 3.428 2.369 3.815 . 0 0 "[ . 1 . 2]" 2
1173 1 35 VAL HB 2 11 VAL QG 5.470 . 5.470 4.128 2.951 4.526 . 0 0 "[ . 1 . 2]" 2
1174 1 18 LYS QB 1 18 LYS QE 4.230 . 4.230 2.581 1.915 3.775 . 0 0 "[ . 1 . 2]" 2
1175 1 18 LYS QB 1 103 ARG H 4.240 . 4.240 4.218 2.905 4.327 0.087 19 0 "[ . 1 . 2]" 2
1176 1 18 LYS QB 1 19 PHE H 3.540 . 3.540 2.623 2.349 3.113 . 0 0 "[ . 1 . 2]" 2
1177 1 18 LYS H 1 18 LYS QB 3.320 . 3.320 3.158 2.679 3.300 . 0 0 "[ . 1 . 2]" 2
1178 1 18 LYS QB 1 20 ILE MD 4.240 . 4.240 3.119 2.289 3.452 . 0 0 "[ . 1 . 2]" 2
1179 1 17 GLY HA3 1 18 LYS QB 4.530 . 4.530 4.505 4.312 4.578 0.048 7 0 "[ . 1 . 2]" 2
1180 1 83 GLN H 1 83 GLN HG3 4.270 . 4.270 3.757 3.444 3.966 . 0 0 "[ . 1 . 2]" 2
1181 1 83 GLN HA 1 83 GLN HG3 3.900 . 3.900 3.733 3.676 3.854 . 0 0 "[ . 1 . 2]" 2
1182 1 80 THR H 1 83 GLN HG3 4.740 . 4.740 3.397 2.742 3.688 . 0 0 "[ . 1 . 2]" 2
1183 1 80 THR H 1 83 GLN HG2 4.690 . 4.690 3.730 3.347 3.976 . 0 0 "[ . 1 . 2]" 2
1184 1 80 THR MG 1 83 GLN HG3 5.500 . 5.500 4.041 3.580 4.570 . 0 0 "[ . 1 . 2]" 2
1185 1 67 VAL HB 1 68 ILE H 4.590 . 4.590 3.687 3.003 4.138 . 0 0 "[ . 1 . 2]" 2
1186 1 63 GLU HB2 1 64 THR H 3.910 . 3.910 3.588 2.539 3.938 0.028 3 0 "[ . 1 . 2]" 2
1187 1 122 VAL H 1 122 VAL HB 3.520 . 3.520 2.899 2.510 3.272 . 0 0 "[ . 1 . 2]" 2
1188 1 89 GLN H 1 89 GLN HG3 4.810 . 4.810 3.902 2.889 4.591 . 0 0 "[ . 1 . 2]" 2
1189 1 71 VAL HB 1 72 ASN H 4.910 . 4.910 4.231 4.010 4.442 . 0 0 "[ . 1 . 2]" 2
1190 1 89 GLN H 1 89 GLN HG2 4.420 . 4.420 2.988 2.016 4.468 0.048 19 0 "[ . 1 . 2]" 2
1191 1 89 GLN HG2 2 9 THR MG 5.390 . 5.390 4.245 3.344 5.478 0.088 18 0 "[ . 1 . 2]" 2
1192 1 122 VAL HB 1 123 ALA H 4.470 . 4.470 4.270 4.000 4.392 . 0 0 "[ . 1 . 2]" 2
1193 1 121 SER HA 1 122 VAL HB 4.980 . 4.980 4.643 4.300 4.982 0.002 18 0 "[ . 1 . 2]" 2
1194 1 127 LYS HB2 1 128 GLU H 4.800 . 4.800 4.105 3.194 4.585 . 0 0 "[ . 1 . 2]" 2
1195 1 127 LYS H 1 127 LYS HB2 3.670 . 3.670 2.898 2.392 3.806 0.136 13 0 "[ . 1 . 2]" 2
1196 1 127 LYS HB3 1 128 GLU H 4.580 . 4.580 3.778 2.868 4.588 0.008 6 0 "[ . 1 . 2]" 2
1197 1 127 LYS H 1 127 LYS HB3 3.680 . 3.680 3.465 2.357 3.733 0.053 19 0 "[ . 1 . 2]" 2
1198 1 16 LYS H 1 16 LYS HB3 4.100 . 4.100 2.716 2.527 2.835 . 0 0 "[ . 1 . 2]" 2
1199 1 16 LYS HB3 1 17 GLY H 4.300 . 4.300 3.499 3.345 3.673 . 0 0 "[ . 1 . 2]" 2
1200 1 103 ARG QB 1 103 ARG HE 4.530 . 4.530 2.545 2.077 3.904 . 0 0 "[ . 1 . 2]" 2
1201 1 16 LYS HB2 1 17 GLY H 4.150 . 4.150 2.042 1.774 2.243 0.026 16 0 "[ . 1 . 2]" 2
1202 1 119 VAL H 1 119 VAL HB 3.870 . 3.870 2.990 2.505 3.837 . 0 0 "[ . 1 . 2]" 2
1203 1 69 VAL HB 1 102 CYS H 5.100 . 5.100 4.692 4.407 4.952 . 0 0 "[ . 1 . 2]" 2
1204 1 69 VAL H 1 69 VAL HB 4.030 . 4.030 2.433 2.384 2.522 . 0 0 "[ . 1 . 2]" 2
1205 1 3 MET ME 1 3 MET HG2 3.430 . 3.430 2.677 2.451 3.418 . 0 0 "[ . 1 . 2]" 2
1206 1 3 MET ME 1 3 MET HG3 3.390 . 3.390 2.724 2.464 3.409 0.019 5 0 "[ . 1 . 2]" 2
1207 1 5 LYS HB2 1 5 LYS QE 4.630 . 4.630 2.580 1.977 4.146 . 0 0 "[ . 1 . 2]" 2
1208 1 5 LYS HB2 1 6 PRO HD2 4.190 . 4.190 3.838 3.524 4.219 0.029 18 0 "[ . 1 . 2]" 2
1209 1 5 LYS H 1 5 LYS HB3 3.870 . 3.870 3.676 3.576 3.804 . 0 0 "[ . 1 . 2]" 2
1210 1 5 LYS HB3 1 6 PRO HD2 4.010 . 4.010 2.312 1.983 2.760 . 0 0 "[ . 1 . 2]" 2
1211 1 6 PRO HB2 1 7 PHE H 3.710 . 3.710 3.215 2.745 3.512 . 0 0 "[ . 1 . 2]" 2
1212 1 92 PRO HB2 1 93 ILE H 3.950 . 3.950 3.030 2.827 3.256 . 0 0 "[ . 1 . 2]" 2
1213 1 91 ILE MG 1 92 PRO HB2 5.300 . 5.300 4.878 4.579 5.340 0.040 11 0 "[ . 1 . 2]" 2
1214 1 111 PRO HB3 1 112 ASP H 4.450 . 4.450 4.432 4.362 4.490 0.040 19 0 "[ . 1 . 2]" 2
1215 1 100 GLU QB 1 101 LEU H 4.550 . 4.550 3.466 3.048 3.958 . 0 0 "[ . 1 . 2]" 2
1216 1 92 PRO HB3 1 93 ILE H 3.750 . 3.750 3.706 3.565 3.789 0.039 8 0 "[ . 1 . 2]" 2
1217 1 24 LEU MD1 1 55 PRO HB2 4.880 . 4.880 3.086 2.925 3.250 . 0 0 "[ . 1 . 2]" 2
1218 1 106 PRO HB2 1 107 LEU H 3.870 . 3.870 2.788 1.952 3.785 . 0 0 "[ . 1 . 2]" 2
1219 1 107 LEU MD1 1 111 PRO HB2 4.630 . 4.630 4.486 3.923 4.734 0.104 12 0 "[ . 1 . 2]" 2
1220 1 70 SER H 1 100 GLU QB 4.280 . 4.280 2.832 2.095 4.247 . 0 0 "[ . 1 . 2]" 2
1221 1 106 PRO HB3 1 107 LEU H 3.750 . 3.750 3.490 3.066 3.767 0.017 15 0 "[ . 1 . 2]" 2
1222 1 12 PRO HB3 1 69 VAL MG2 4.440 . 4.440 2.594 2.312 3.029 . 0 0 "[ . 1 . 2]" 2
1223 1 114 PRO HB3 1 115 ASN HA 3.980 . 3.980 4.093 3.994 4.194 0.214 3 0 "[ . 1 . 2]" 2
1224 1 12 PRO HB2 1 19 PHE QD 5.040 . 5.040 3.556 3.097 4.031 . 0 0 "[ . 1 . 2]" 2
1225 1 12 PRO HB2 1 69 VAL MG2 4.310 . 4.310 4.010 3.715 4.319 0.009 16 0 "[ . 1 . 2]" 2
1226 1 41 PRO HB2 1 42 ASP H 4.330 . 4.330 3.187 2.273 4.035 . 0 0 "[ . 1 . 2]" 2
1227 1 40 GLU HA 1 41 PRO HB2 4.800 . 4.800 4.983 4.952 5.017 0.217 14 0 "[ . 1 . 2]" 2
1228 1 12 PRO HB3 1 69 VAL MG1 3.940 . 3.940 2.187 2.011 2.348 . 0 0 "[ . 1 . 2]" 2
1229 1 85 VAL H 1 86 LYS QB 4.770 . 4.770 4.251 4.162 4.654 . 0 0 "[ . 1 . 2]" 2
1230 1 86 LYS H 1 86 LYS QB 3.390 . 3.390 2.120 1.960 2.160 . 0 0 "[ . 1 . 2]" 2
1231 1 86 LYS QB 1 87 ILE H 4.130 . 4.130 2.786 2.425 3.692 . 0 0 "[ . 1 . 2]" 2
1232 1 41 PRO HB3 1 42 ASP H 4.180 . 4.180 4.112 3.741 4.319 0.139 17 0 "[ . 1 . 2]" 2
1233 1 45 LEU MD1 1 79 HIS HB2 5.130 . 5.130 3.041 2.496 3.222 . 0 0 "[ . 1 . 2]" 2
1234 1 79 HIS HB3 1 84 VAL HB 4.780 . 4.780 1.974 1.775 2.135 0.025 10 0 "[ . 1 . 2]" 2
1235 1 79 HIS HB3 1 80 THR H 4.290 . 4.290 3.313 3.121 3.689 . 0 0 "[ . 1 . 2]" 2
1236 1 79 HIS HB3 1 83 GLN HB2 4.750 . 4.750 3.679 3.439 3.834 . 0 0 "[ . 1 . 2]" 2
1237 1 79 HIS HB3 1 83 GLN H 5.110 . 5.110 5.111 5.004 5.187 0.077 5 0 "[ . 1 . 2]" 2
1238 1 85 VAL HB 1 86 LYS H 4.120 . 4.120 3.962 3.876 4.065 . 0 0 "[ . 1 . 2]" 2
1239 1 84 VAL H 1 84 VAL HB 3.290 . 3.290 2.692 2.600 2.778 . 0 0 "[ . 1 . 2]" 2
1240 1 84 VAL HB 1 85 VAL H 4.000 . 4.000 4.042 4.030 4.064 0.064 16 0 "[ . 1 . 2]" 2
1241 1 25 ARG QB 1 96 SER HA . . 4.830 4.240 3.986 4.490 . 0 0 "[ . 1 . 2]" 2
1242 1 25 ARG H 1 25 ARG QB 3.750 . 3.750 2.218 2.106 2.268 . 0 0 "[ . 1 . 2]" 2
1243 1 24 LEU MD1 1 25 ARG QB 5.500 . 5.500 4.983 4.735 5.182 . 0 0 "[ . 1 . 2]" 2
1244 1 21 HIS QB 1 101 LEU H 4.940 . 4.940 4.263 3.339 4.878 . 0 0 "[ . 1 . 2]" 2
1245 1 19 PHE HZ 1 21 HIS QB 5.150 . 5.150 5.161 4.998 5.224 0.074 20 0 "[ . 1 . 2]" 2
1246 1 20 ILE HA 1 21 HIS QB 4.140 . 4.140 3.904 3.611 4.199 0.059 17 0 "[ . 1 . 2]" 2
1247 1 22 THR MG 1 62 MET HG3 4.310 . 4.310 3.387 2.331 4.404 0.094 5 0 "[ . 1 . 2]" 2
1248 1 62 MET HG3 1 101 LEU QD 3.470 . 3.470 2.403 1.863 3.252 . 0 0 "[ . 1 . 2]" 2
1249 1 40 GLU H 1 40 GLU HB2 4.180 . 4.180 3.754 2.874 3.913 . 0 0 "[ . 1 . 2]" 2
1250 1 71 VAL H 1 76 VAL HB 4.720 . 4.720 3.778 3.234 4.508 . 0 0 "[ . 1 . 2]" 2
1251 1 76 VAL HB 1 79 HIS HB2 4.550 . 4.550 4.193 4.002 4.365 . 0 0 "[ . 1 . 2]" 2
1252 1 14 GLU H 1 14 GLU HB2 4.130 . 4.130 3.674 3.631 3.715 . 0 0 "[ . 1 . 2]" 2
1253 1 11 ASN HB3 1 14 GLU HB2 4.930 . 4.930 4.238 3.563 4.728 . 0 0 "[ . 1 . 2]" 2
1254 1 23 LYS H 1 23 LYS QD 4.580 . 4.580 4.148 4.035 4.282 . 0 0 "[ . 1 . 2]" 2
1255 1 23 LYS HA 1 23 LYS QD 4.430 . 4.430 3.444 3.334 3.547 . 0 0 "[ . 1 . 2]" 2
1256 1 23 LYS QD 1 97 VAL H 4.570 . 4.570 3.303 3.066 3.645 . 0 0 "[ . 1 . 2]" 2
1257 1 29 ARG H 1 29 ARG HB3 4.180 . 4.180 4.044 3.672 4.181 0.001 4 0 "[ . 1 . 2]" 2
1258 1 83 GLN H 1 83 GLN HB2 4.110 . 4.110 2.377 2.301 2.534 . 0 0 "[ . 1 . 2]" 2
1259 1 80 THR MG 1 83 GLN HB2 5.500 . 5.500 4.062 3.800 4.454 . 0 0 "[ . 1 . 2]" 2
1260 1 83 GLN HB2 1 84 VAL H 4.570 . 4.570 2.341 2.189 2.431 . 0 0 "[ . 1 . 2]" 2
1261 1 79 HIS HB3 1 83 GLN HB3 4.670 . 4.670 4.701 4.649 4.754 0.084 19 0 "[ . 1 . 2]" 2
1262 1 18 LYS HA 1 18 LYS QD 4.060 . 4.060 3.746 2.161 4.111 0.051 2 0 "[ . 1 . 2]" 2
1263 1 89 GLN QB 1 90 SER H 4.240 . 4.240 3.215 3.003 3.707 . 0 0 "[ . 1 . 2]" 2
1264 1 89 GLN QB 2 9 THR MG 4.900 . 4.900 4.924 3.877 5.107 0.207 17 0 "[ . 1 . 2]" 2
1265 1 86 LYS HA 1 89 GLN QB 4.230 . 4.230 3.383 2.544 4.241 0.011 9 0 "[ . 1 . 2]" 2
1266 1 5 LYS HA 1 5 LYS QD 3.680 . 3.680 3.171 2.620 3.533 . 0 0 "[ . 1 . 2]" 2
1267 1 5 LYS QD 1 5 LYS QG 2.400 . 2.400 2.027 2.002 2.092 . 0 0 "[ . 1 . 2]" 2
1268 1 127 LYS H 1 127 LYS QD 4.150 . 4.150 3.287 1.743 4.284 0.134 14 0 "[ . 1 . 2]" 2
1269 1 55 PRO HG2 1 56 ALA H 5.070 . 5.070 3.259 2.964 3.653 . 0 0 "[ . 1 . 2]" 2
1270 1 27 SER H 1 55 PRO HG2 5.250 . 5.250 4.268 3.597 4.775 . 0 0 "[ . 1 . 2]" 2
1271 1 31 PHE HA 1 55 PRO HG3 5.220 . 5.220 2.606 2.426 3.118 . 0 0 "[ . 1 . 2]" 2
1272 1 85 VAL QG 1 89 GLN QB 4.860 . 4.860 2.845 2.465 3.117 . 0 0 "[ . 1 . 2]" 2
1273 1 102 CYS QB 1 103 ARG H 4.670 . 4.670 3.419 2.861 3.782 . 0 0 "[ . 1 . 2]" 2
1274 1 69 VAL MG2 1 102 CYS QB 3.940 . 3.940 2.815 2.315 3.357 . 0 0 "[ . 1 . 2]" 2
1275 1 10 ARG HG2 1 11 ASN HD21 5.060 . 5.060 4.152 2.855 5.214 0.154 5 0 "[ . 1 . 2]" 2
1276 1 86 LYS HA 1 86 LYS QD 3.930 . 3.930 3.684 3.415 4.047 0.117 17 0 "[ . 1 . 2]" 2
1277 1 67 VAL H 1 102 CYS QB 4.890 . 4.890 3.678 3.419 4.157 . 0 0 "[ . 1 . 2]" 2
1278 1 10 ARG H 1 10 ARG HG3 5.010 . 5.010 4.307 3.180 4.744 . 0 0 "[ . 1 . 2]" 2
1279 1 28 SER HA 1 93 ILE HG12 5.250 . 5.250 2.200 1.975 2.917 . 0 0 "[ . 1 . 2]" 2
1280 1 29 ARG QD 1 93 ILE HG12 5.210 . 5.210 3.473 2.328 4.523 . 0 0 "[ . 1 . 2]" 2
1281 1 93 ILE H 1 93 ILE HG13 4.040 . 4.040 1.857 1.779 2.036 0.021 12 0 "[ . 1 . 2]" 2
1282 1 29 ARG HA 1 93 ILE HG13 5.240 . 5.240 3.223 2.788 3.473 . 0 0 "[ . 1 . 2]" 2
1283 1 20 ILE QG 1 21 HIS H 4.610 . 4.610 3.901 3.690 4.160 . 0 0 "[ . 1 . 2]" 2
1284 1 19 PHE HA 1 20 ILE QG 4.900 . 4.900 4.531 4.396 4.682 . 0 0 "[ . 1 . 2]" 2
1285 1 20 ILE H 1 20 ILE QG . . 4.410 2.740 2.564 2.874 . 0 0 "[ . 1 . 2]" 2
1286 1 15 LEU H 1 15 LEU MD1 3.870 . 3.870 3.554 3.403 3.651 . 0 0 "[ . 1 . 2]" 2
1287 1 6 PRO HG2 1 7 PHE H 4.860 . 4.860 4.860 4.536 4.934 0.074 5 0 "[ . 1 . 2]" 2
1288 1 12 PRO QG 1 69 VAL MG2 4.370 . 4.370 3.753 3.532 4.231 . 0 0 "[ . 1 . 2]" 2
1289 1 91 ILE HG13 1 92 PRO HD2 5.300 . 5.300 4.990 4.795 5.186 . 0 0 "[ . 1 . 2]" 2
1290 1 25 ARG HG3 1 95 ALA H 5.040 . 5.040 4.654 4.106 5.043 0.003 11 0 "[ . 1 . 2]" 2
1291 1 92 PRO QG 1 95 ALA H 4.800 . 4.800 4.738 4.571 4.817 0.017 6 0 "[ . 1 . 2]" 2
1292 1 40 GLU HA 1 41 PRO HG2 4.410 . 4.410 4.435 4.319 4.514 0.104 20 0 "[ . 1 . 2]" 2
1293 1 40 GLU HA 1 41 PRO HG3 4.340 . 4.340 3.662 3.413 3.800 . 0 0 "[ . 1 . 2]" 2
1294 1 41 PRO HG3 1 42 ASP H 4.860 . 4.860 4.458 4.124 4.827 . 0 0 "[ . 1 . 2]" 2
1295 1 124 ILE H 1 124 ILE HG12 4.360 . 4.360 3.374 2.320 4.525 0.165 1 0 "[ . 1 . 2]" 2
1296 1 25 ARG HG2 1 26 LYS H 4.450 . 4.450 3.455 2.967 3.731 . 0 0 "[ . 1 . 2]" 2
1297 1 25 ARG HG2 1 95 ALA H 5.220 . 5.220 3.927 3.630 4.232 . 0 0 "[ . 1 . 2]" 2
1298 1 25 ARG HG2 1 96 SER HA 4.810 . 4.810 4.672 4.494 4.828 0.018 14 0 "[ . 1 . 2]" 2
1299 1 25 ARG HG2 1 96 SER QB 4.820 . 4.820 4.810 4.497 4.898 0.078 16 0 "[ . 1 . 2]" 2
1300 1 25 ARG HG3 1 26 LYS H 4.530 . 4.530 3.897 3.575 4.312 . 0 0 "[ . 1 . 2]" 2
1301 1 25 ARG HG3 1 96 SER HA 4.980 . 4.980 3.931 3.417 4.402 . 0 0 "[ . 1 . 2]" 2
1302 1 124 ILE H 1 124 ILE HG13 4.890 . 4.890 3.801 2.295 4.381 . 0 0 "[ . 1 . 2]" 2
1303 1 68 ILE H 1 68 ILE HG13 4.540 . 4.540 3.598 2.531 3.947 . 0 0 "[ . 1 . 2]" 2
1304 1 75 CYS HB2 1 76 VAL H 4.780 . 4.780 4.529 4.454 4.622 . 0 0 "[ . 1 . 2]" 2
1305 1 75 CYS H 1 75 CYS HB2 3.750 . 3.750 2.532 2.468 2.662 . 0 0 "[ . 1 . 2]" 2
1306 1 74 THR HA 1 75 CYS HB3 4.650 . 4.650 4.526 4.383 4.648 . 0 0 "[ . 1 . 2]" 2
1307 1 45 LEU H 1 45 LEU HG 4.250 . 4.250 3.711 3.533 3.906 . 0 0 "[ . 1 . 2]" 2
1308 1 125 LEU HG 1 126 ASP H 4.570 . 4.570 4.031 1.782 4.660 0.090 3 0 "[ . 1 . 2]" 2
1309 1 47 ILE H 1 47 ILE HG12 4.140 . 4.140 2.478 2.131 4.149 0.009 8 0 "[ . 1 . 2]" 2
1310 1 47 ILE H 1 47 ILE HG13 4.330 . 4.330 3.840 3.696 4.068 . 0 0 "[ . 1 . 2]" 2
1311 1 47 ILE HG13 1 66 ASP H 5.280 . 5.280 3.878 3.290 5.326 0.046 2 0 "[ . 1 . 2]" 2
1312 1 47 ILE HG13 1 66 ASP HB2 5.250 . 5.250 3.306 2.111 5.141 . 0 0 "[ . 1 . 2]" 2
1313 1 46 GLN HA 1 68 ILE HG13 5.170 . 5.170 4.946 3.926 5.218 0.048 17 0 "[ . 1 . 2]" 2
1314 1 111 PRO QG 1 112 ASP H 4.440 . 4.440 3.766 3.680 3.896 . 0 0 "[ . 1 . 2]" 2
1315 1 110 ASP HB2 1 111 PRO QG 5.080 . 5.080 5.242 5.190 5.298 0.218 5 0 "[ . 1 . 2]" 2
1316 1 107 LEU MD1 1 111 PRO QG 4.810 . 4.810 2.392 2.079 2.755 . 0 0 "[ . 1 . 2]" 2
1317 1 53 ASP HA 1 58 LEU HG 4.580 . 4.580 3.099 2.814 3.720 . 0 0 "[ . 1 . 2]" 2
1318 1 58 LEU HA 1 58 LEU HG 3.870 . 3.870 2.990 2.869 3.756 . 0 0 "[ . 1 . 2]" 2
1319 1 125 LEU H 1 125 LEU HG 4.040 . 4.040 3.368 2.164 4.165 0.125 17 0 "[ . 1 . 2]" 2
1320 1 29 ARG H 1 29 ARG QG 4.860 . 4.860 3.261 2.576 4.110 . 0 0 "[ . 1 . 2]" 2
1321 1 125 LEU HA 1 125 LEU HG 4.190 . 4.190 3.249 2.384 4.262 0.072 6 0 "[ . 1 . 2]" 2
1322 1 29 ARG HA 1 29 ARG QG . . 3.870 2.392 2.069 2.614 . 0 0 "[ . 1 . 2]" 2
1323 1 24 LEU MD2 1 56 ALA H 5.190 . 5.190 2.780 2.428 2.981 . 0 0 "[ . 1 . 2]" 2
1324 1 24 LEU MD2 1 25 ARG H 5.300 . 5.300 4.737 4.374 4.998 . 0 0 "[ . 1 . 2]" 2
1325 1 52 LEU H 1 52 LEU HG 3.580 . 3.580 2.198 2.102 2.412 . 0 0 "[ . 1 . 2]" 2
1326 1 24 LEU HA 1 24 LEU MD2 4.380 . 4.380 3.774 3.736 3.826 . 0 0 "[ . 1 . 2]" 2
1327 1 24 LEU H 1 24 LEU MD2 4.600 . 4.600 4.400 4.096 4.553 . 0 0 "[ . 1 . 2]" 2
1328 1 24 LEU MD2 1 56 ALA HA 4.600 . 4.600 2.952 2.704 3.177 . 0 0 "[ . 1 . 2]" 2
1329 1 31 PHE QD 1 99 LEU MD2 5.320 . 5.320 4.040 3.692 4.561 . 0 0 "[ . 1 . 2]" 2
1330 1 99 LEU H 1 99 LEU MD2 4.120 . 4.120 3.380 2.092 4.205 0.085 5 0 "[ . 1 . 2]" 2
1331 1 24 LEU H 1 99 LEU MD2 4.870 . 4.870 3.796 2.404 4.864 . 0 0 "[ . 1 . 2]" 2
1332 1 18 LYS HG3 1 103 ARG QG 3.500 . 3.500 3.513 3.133 3.610 0.110 20 0 "[ . 1 . 2]" 2
1333 1 72 ASN H 1 99 LEU MD1 4.290 . 4.290 4.141 3.573 4.355 0.065 18 0 "[ . 1 . 2]" 2
1334 1 99 LEU H 1 99 LEU MD1 4.310 . 4.310 3.744 3.382 3.975 . 0 0 "[ . 1 . 2]" 2
1335 1 24 LEU H 1 99 LEU MD1 4.690 . 4.690 4.764 4.694 4.800 0.110 15 0 "[ . 1 . 2]" 2
1336 1 99 LEU MD1 1 100 GLU H 4.000 . 4.000 3.336 2.973 3.731 . 0 0 "[ . 1 . 2]" 2
1337 1 99 LEU HA 1 99 LEU MD1 3.560 . 3.560 2.020 1.874 2.122 . 0 0 "[ . 1 . 2]" 2
1338 1 71 VAL HA 1 99 LEU MD1 3.890 . 3.890 2.767 2.094 3.181 . 0 0 "[ . 1 . 2]" 2
1339 1 77 LEU H 1 77 LEU MD2 4.250 . 4.250 3.842 2.015 4.260 0.010 14 0 "[ . 1 . 2]" 2
1340 1 20 ILE MD 1 103 ARG QG 4.930 . 4.930 3.557 3.404 3.968 . 0 0 "[ . 1 . 2]" 2
1341 1 50 LEU H 1 50 LEU MD1 3.950 . 3.950 3.922 2.767 4.069 0.119 13 0 "[ . 1 . 2]" 2
1342 1 50 LEU MD1 1 63 GLU HA 3.800 . 3.800 3.586 3.029 3.965 0.165 4 0 "[ . 1 . 2]" 2
1343 1 50 LEU MD1 1 57 ALA HA 3.520 . 3.520 2.271 1.943 2.703 . 0 0 "[ . 1 . 2]" 2
1344 1 12 PRO HD3 1 77 LEU MD2 4.370 . 4.370 2.594 1.958 3.252 . 0 0 "[ . 1 . 2]" 2
1345 1 69 VAL MG1 1 77 LEU MD2 3.370 . 3.370 2.528 1.861 3.253 . 0 0 "[ . 1 . 2]" 2
1346 1 101 LEU H 1 101 LEU QD 4.070 . 4.070 1.990 1.845 3.128 . 0 0 "[ . 1 . 2]" 2
1347 1 71 VAL HB 1 99 LEU MD1 2.710 . 2.710 2.232 1.900 2.392 . 0 0 "[ . 1 . 2]" 2
1348 1 118 LEU H 1 118 LEU MD1 4.210 . 4.210 3.106 1.711 4.112 0.089 10 0 "[ . 1 . 2]" 2
1349 1 118 LEU QB 1 118 LEU MD1 3.220 . 3.220 2.222 2.019 2.487 . 0 0 "[ . 1 . 2]" 2
1350 1 50 LEU HA 1 50 LEU MD1 3.950 . 3.950 2.677 2.093 3.767 . 0 0 "[ . 1 . 2]" 2
1351 1 101 LEU QD 1 102 CYS H 5.020 . 5.020 3.823 3.025 4.011 . 0 0 "[ . 1 . 2]" 2
1352 1 101 LEU HA 1 101 LEU QD 3.370 . 3.370 3.298 2.216 3.385 0.015 15 0 "[ . 1 . 2]" 2
1353 1 68 ILE HA 1 101 LEU QD 3.600 . 3.600 3.569 2.487 3.734 0.134 4 0 "[ . 1 . 2]" 2
1354 1 86 LYS H 1 86 LYS QG 4.050 . 4.050 3.966 3.727 4.029 . 0 0 "[ . 1 . 2]" 2
1355 1 18 LYS H 1 18 LYS HG2 4.410 . 4.410 2.247 1.840 2.579 . 0 0 "[ . 1 . 2]" 2
1356 1 18 LYS HG3 1 20 ILE MD 4.280 . 4.280 2.567 2.086 3.734 . 0 0 "[ . 1 . 2]" 2
1357 1 18 LYS H 1 18 LYS HG3 4.580 . 4.580 3.831 3.351 4.118 . 0 0 "[ . 1 . 2]" 2
1358 1 44 PHE HA 1 45 LEU MD1 5.170 . 5.170 2.890 2.473 3.116 . 0 0 "[ . 1 . 2]" 2
1359 1 45 LEU MD1 1 79 HIS HA 4.990 . 4.990 4.846 4.330 5.062 0.072 17 0 "[ . 1 . 2]" 2
1360 1 38 GLY HA3 1 45 LEU MD1 5.340 . 5.340 2.123 1.989 2.513 . 0 0 "[ . 1 . 2]" 2
1361 1 38 GLY HA2 1 45 LEU MD1 5.210 . 5.210 2.578 2.305 2.722 . 0 0 "[ . 1 . 2]" 2
1362 1 50 LEU MD2 1 57 ALA HA 3.730 . 3.730 2.730 1.990 3.744 0.014 14 0 "[ . 1 . 2]" 2
1363 1 50 LEU HB2 1 50 LEU MD2 3.210 . 3.210 2.365 2.225 2.598 . 0 0 "[ . 1 . 2]" 2
1364 1 5 LYS QG 1 6 PRO HD2 4.250 . 4.250 3.302 2.690 3.902 . 0 0 "[ . 1 . 2]" 2
1365 1 23 LYS QG 1 97 VAL H 4.730 . 4.730 2.766 2.537 3.015 . 0 0 "[ . 1 . 2]" 2
1366 1 83 GLN H 1 84 VAL QG 4.510 . 4.510 3.560 3.503 3.652 . 0 0 "[ . 1 . 2]" 2
1367 1 84 VAL HA 1 84 VAL QG 3.300 . 3.300 2.295 2.194 2.347 . 0 0 "[ . 1 . 2]" 2
1368 1 79 HIS HB2 1 84 VAL QG 4.060 . 4.060 3.588 3.449 3.740 . 0 0 "[ . 1 . 2]" 2
1369 1 79 HIS HB3 1 84 VAL QG 3.950 . 3.950 2.877 2.743 2.996 . 0 0 "[ . 1 . 2]" 2
1370 1 82 ALA H 1 84 VAL QG 4.030 . 4.030 4.070 3.984 4.119 0.089 12 0 "[ . 1 . 2]" 2
1371 1 84 VAL QG 1 85 VAL H 4.210 . 4.210 2.162 2.080 2.238 . 0 0 "[ . 1 . 2]" 2
1372 1 84 VAL H 1 84 VAL QG 3.370 . 3.370 2.026 1.958 2.131 . 0 0 "[ . 1 . 2]" 2
1373 1 79 HIS HD2 1 84 VAL QG 4.560 . 4.560 3.218 3.115 3.354 . 0 0 "[ . 1 . 2]" 2
1374 1 52 LEU H 1 52 LEU MD1 3.620 . 3.620 3.617 3.529 3.656 0.036 7 0 "[ . 1 . 2]" 2
1375 1 44 PHE HB3 1 45 LEU MD1 5.220 . 5.220 3.991 3.473 4.280 . 0 0 "[ . 1 . 2]" 2
1376 1 45 LEU MD2 1 46 GLN H 5.100 . 5.100 4.296 4.021 4.611 . 0 0 "[ . 1 . 2]" 2
1377 1 45 LEU MD2 1 88 PHE QE 5.030 . 5.030 4.188 3.557 4.521 . 0 0 "[ . 1 . 2]" 2
1378 1 45 LEU MD2 1 68 ILE HB 4.600 . 4.600 3.521 2.364 3.908 . 0 0 "[ . 1 . 2]" 2
1379 1 118 LEU HA 1 118 LEU MD1 4.460 . 4.460 3.530 2.179 3.861 . 0 0 "[ . 1 . 2]" 2
1380 1 45 LEU MD2 1 84 VAL HA 4.830 . 4.830 4.751 4.338 4.843 0.013 7 0 "[ . 1 . 2]" 2
1381 1 15 LEU MD2 1 16 LYS H 3.920 . 3.920 3.271 3.086 3.533 . 0 0 "[ . 1 . 2]" 2
1382 1 118 LEU H 1 118 LEU MD2 4.080 . 4.080 2.952 2.308 3.376 . 0 0 "[ . 1 . 2]" 2
1383 1 16 LYS H 1 16 LYS HG2 4.290 . 4.290 2.195 1.849 3.287 . 0 0 "[ . 1 . 2]" 2
1384 1 16 LYS HA 1 16 LYS HG2 4.260 . 4.260 3.797 3.679 4.221 . 0 0 "[ . 1 . 2]" 2
1385 1 23 LYS QG 1 24 LEU H . . 4.360 2.988 2.781 3.147 . 0 0 "[ . 1 . 2]" 2
1386 1 16 LYS HG2 1 17 GLY H 4.540 . 4.540 4.448 3.947 4.614 0.074 19 0 "[ . 1 . 2]" 2
1387 1 16 LYS H 1 16 LYS HG3 4.560 . 4.560 2.710 2.156 3.034 . 0 0 "[ . 1 . 2]" 2
1388 1 16 LYS HG3 1 17 GLY H 4.710 . 4.710 3.389 2.667 3.892 . 0 0 "[ . 1 . 2]" 2
1389 1 52 LEU HB3 1 52 LEU MD1 3.340 . 3.340 2.370 2.319 2.433 . 0 0 "[ . 1 . 2]" 2
1390 1 15 LEU H 1 15 LEU MD2 3.670 . 3.670 3.381 3.141 3.655 . 0 0 "[ . 1 . 2]" 2
1391 1 15 LEU HA 1 15 LEU MD2 3.500 . 3.500 2.040 1.977 2.119 . 0 0 "[ . 1 . 2]" 2
1392 1 118 LEU HA 1 118 LEU MD2 3.980 . 3.980 2.665 2.049 3.724 . 0 0 "[ . 1 . 2]" 2
1393 1 117 SER HA 1 118 LEU MD2 4.650 . 4.650 4.193 3.332 4.761 0.111 11 0 "[ . 1 . 2]" 2
1394 1 127 LYS H 1 127 LYS QG 4.530 . 4.530 2.986 2.028 4.099 . 0 0 "[ . 1 . 2]" 2
1395 1 83 GLN H 1 85 VAL QG 4.930 . 4.930 4.010 3.857 4.216 . 0 0 "[ . 1 . 2]" 2
1396 1 52 LEU MD2 1 53 ASP H 3.490 . 3.490 3.452 3.341 3.623 0.133 9 0 "[ . 1 . 2]" 2
1397 1 52 LEU HA 1 52 LEU MD2 3.280 . 3.280 2.041 1.880 2.094 . 0 0 "[ . 1 . 2]" 2
1398 1 52 LEU MD2 1 57 ALA MB 3.540 . 3.540 2.324 1.892 2.769 . 0 0 "[ . 1 . 2]" 2
1399 1 48 LYS HA 1 107 LEU MD1 4.570 . 4.570 3.068 2.016 3.719 . 0 0 "[ . 1 . 2]" 2
1400 1 24 LEU MD1 1 59 ASP HB2 3.910 . 3.910 3.456 3.205 3.654 . 0 0 "[ . 1 . 2]" 2
1401 1 85 VAL QG 1 89 GLN H 5.130 . 5.130 3.697 3.589 3.953 . 0 0 "[ . 1 . 2]" 2
1402 1 48 LYS HB2 1 107 LEU MD1 3.230 . 3.230 3.088 2.516 3.444 0.214 7 0 "[ . 1 . 2]" 2
1403 1 24 LEU H 1 24 LEU MD1 4.060 . 4.060 3.593 3.278 3.786 . 0 0 "[ . 1 . 2]" 2
1404 1 24 LEU MD1 1 59 ASP H 4.430 . 4.430 4.352 4.184 4.457 0.027 9 0 "[ . 1 . 2]" 2
1405 1 24 LEU MD1 1 25 ARG H 3.750 . 3.750 3.620 3.357 3.772 0.022 1 0 "[ . 1 . 2]" 2
1406 1 24 LEU MD1 1 56 ALA HA 3.340 . 3.340 2.054 1.928 2.294 . 0 0 "[ . 1 . 2]" 2
1407 1 24 LEU MD1 1 59 ASP HB3 3.970 . 3.970 3.298 3.094 3.567 . 0 0 "[ . 1 . 2]" 2
1408 1 24 LEU MD1 1 56 ALA MB 3.360 . 3.360 2.939 2.652 3.153 . 0 0 "[ . 1 . 2]" 2
1409 1 20 ILE H 1 69 VAL MG2 5.400 . 5.400 5.287 5.004 5.438 0.038 19 0 "[ . 1 . 2]" 2
1410 1 77 LEU MD1 1 78 GLY H 4.250 . 4.250 2.982 2.678 3.430 . 0 0 "[ . 1 . 2]" 2
1411 1 77 LEU H 1 77 LEU MD1 3.780 . 3.780 3.780 3.118 3.862 0.082 14 0 "[ . 1 . 2]" 2
1412 1 77 LEU HA 1 77 LEU MD1 3.450 . 3.450 1.995 1.899 2.073 . 0 0 "[ . 1 . 2]" 2
1413 1 10 ARG HA 1 77 LEU MD1 4.660 . 4.660 2.794 2.229 4.228 . 0 0 "[ . 1 . 2]" 2
1414 1 69 VAL HA 1 77 LEU MD1 3.420 . 3.420 2.349 1.815 2.989 . 0 0 "[ . 1 . 2]" 2
1415 1 53 ASP H 1 58 LEU MD2 3.730 . 3.730 2.702 1.892 2.925 . 0 0 "[ . 1 . 2]" 2
1416 1 58 LEU H 1 58 LEU MD2 3.690 . 3.690 3.082 2.165 3.260 . 0 0 "[ . 1 . 2]" 2
1417 1 58 LEU HA 1 58 LEU MD2 2.870 . 2.870 1.883 1.851 2.091 . 0 0 "[ . 1 . 2]" 2
1418 1 57 ALA MB 1 58 LEU MD2 3.190 . 3.190 2.696 1.684 2.979 0.116 9 0 "[ . 1 . 2]" 2
1419 1 97 VAL H 1 97 VAL MG1 3.980 . 3.980 3.463 3.163 3.647 . 0 0 "[ . 1 . 2]" 2
1420 1 72 ASN H 1 97 VAL MG1 4.300 . 4.300 4.208 3.675 4.523 0.223 12 0 "[ . 1 . 2]" 2
1421 1 97 VAL MG1 1 98 ASP H 3.450 . 3.450 3.334 3.086 3.515 0.065 10 0 "[ . 1 . 2]" 2
1422 1 72 ASN HD21 1 97 VAL MG1 4.580 . 4.580 2.844 1.749 4.465 0.051 15 0 "[ . 1 . 2]" 2
1423 1 97 VAL HA 1 97 VAL MG1 3.670 . 3.670 2.342 2.265 2.424 . 0 0 "[ . 1 . 2]" 2
1424 1 26 LYS HD2 1 97 VAL MG1 4.240 . 4.240 3.437 2.886 3.803 . 0 0 "[ . 1 . 2]" 2
1425 1 44 PHE QD 1 67 VAL MG1 4.560 . 4.560 4.546 4.258 4.634 0.074 17 0 "[ . 1 . 2]" 2
1426 1 67 VAL MG1 1 102 CYS HA 5.060 . 5.060 4.506 4.008 5.215 0.155 17 0 "[ . 1 . 2]" 2
1427 1 36 VAL MG1 1 37 GLY H 4.660 . 4.660 3.586 3.150 3.984 . 0 0 "[ . 1 . 2]" 2
1428 1 35 VAL H 1 35 VAL MG1 4.070 . 4.070 2.430 1.979 3.734 . 0 0 "[ . 1 . 2]" 2
1429 1 35 VAL MG1 2 11 VAL QG 4.320 . 4.320 2.483 1.922 4.431 0.111 12 0 "[ . 1 . 2]" 2
1430 1 67 VAL H 1 67 VAL MG1 3.970 . 3.970 2.191 1.956 2.718 . 0 0 "[ . 1 . 2]" 2
1431 1 67 VAL MG1 1 68 ILE H 4.440 . 4.440 4.211 3.983 4.307 . 0 0 "[ . 1 . 2]" 2
1432 1 67 VAL MG1 1 105 TYR HB2 5.030 . 5.030 2.568 1.986 3.015 . 0 0 "[ . 1 . 2]" 2
1433 1 67 VAL MG1 1 105 TYR HB3 3.910 . 3.910 3.656 2.423 3.997 0.087 6 0 "[ . 1 . 2]" 2
1434 1 46 GLN HG2 1 67 VAL MG1 4.310 . 4.310 4.097 2.373 4.473 0.163 3 0 "[ . 1 . 2]" 2
1435 1 46 GLN HG3 1 67 VAL MG1 4.650 . 4.650 3.165 1.886 4.651 0.001 6 0 "[ . 1 . 2]" 2
1436 1 36 VAL H 1 36 VAL MG1 4.390 . 4.390 3.066 2.719 3.302 . 0 0 "[ . 1 . 2]" 2
1437 1 36 VAL MG1 1 48 LYS H 5.500 . 5.500 3.983 3.218 4.250 . 0 0 "[ . 1 . 2]" 2
1438 1 36 VAL MG1 1 48 LYS HA 4.980 . 4.980 4.448 4.060 5.053 0.073 7 0 "[ . 1 . 2]" 2
1439 1 50 LEU HA 1 64 THR MG 4.740 . 4.740 4.821 4.778 4.898 0.158 7 0 "[ . 1 . 2]" 2
1440 1 64 THR HA 1 64 THR MG 3.590 . 3.590 2.219 2.186 2.291 . 0 0 "[ . 1 . 2]" 2
1441 1 80 THR MG 1 81 HIS H 4.040 . 4.040 2.600 2.414 2.717 . 0 0 "[ . 1 . 2]" 2
1442 1 116 THR MG 1 117 SER H 3.470 . 3.470 2.643 1.759 3.539 0.069 8 0 "[ . 1 . 2]" 2
1443 1 64 THR MG 1 65 GLY H 3.720 . 3.720 2.840 2.544 3.020 . 0 0 "[ . 1 . 2]" 2
1444 1 64 THR H 1 64 THR MG 3.470 . 3.470 3.545 3.488 3.595 0.125 9 0 "[ . 1 . 2]" 2
1445 1 49 SER H 1 64 THR MG 4.550 . 4.550 3.102 2.982 3.266 . 0 0 "[ . 1 . 2]" 2
1446 1 48 LYS HA 1 64 THR MG 3.500 . 3.500 2.646 2.393 2.758 . 0 0 "[ . 1 . 2]" 2
1447 1 64 THR MG 1 65 GLY HA2 4.270 . 4.270 3.647 3.501 3.770 . 0 0 "[ . 1 . 2]" 2
1448 1 64 THR MG 1 107 LEU HB2 3.800 . 3.800 3.406 2.560 3.866 0.066 11 0 "[ . 1 . 2]" 2
1449 1 64 THR MG 1 107 LEU MD2 3.690 . 3.690 2.472 2.065 2.870 . 0 0 "[ . 1 . 2]" 2
1450 1 80 THR MG 1 83 GLN HE22 5.020 . 5.020 5.085 5.058 5.120 0.100 18 0 "[ . 1 . 2]" 2
1451 1 80 THR MG 1 82 ALA H 3.100 . 3.100 2.126 1.873 2.272 . 0 0 "[ . 1 . 2]" 2
1452 1 80 THR MG 1 83 GLN H 4.480 . 4.480 2.982 2.660 3.194 . 0 0 "[ . 1 . 2]" 2
1453 1 80 THR HA 1 80 THR MG 3.220 . 3.220 2.434 2.384 2.498 . 0 0 "[ . 1 . 2]" 2
1454 1 80 THR MG 1 83 GLN HG2 4.560 . 4.560 3.011 2.813 3.305 . 0 0 "[ . 1 . 2]" 2
1455 1 120 THR H 1 120 THR MG 3.640 . 3.640 2.144 2.049 2.357 . 0 0 "[ . 1 . 2]" 2
1456 1 120 THR MG 1 121 SER H 3.440 . 3.440 3.511 3.467 3.588 0.148 9 0 "[ . 1 . 2]" 2
1457 1 120 THR HA 1 120 THR MG 3.750 . 3.750 3.207 3.169 3.227 . 0 0 "[ . 1 . 2]" 2
1458 1 33 PHE HA 1 34 THR MG 5.170 . 5.170 3.517 3.302 3.660 . 0 0 "[ . 1 . 2]" 2
1459 1 34 THR MG 2 10 GLN QB 3.060 . 3.060 2.371 1.821 2.846 . 0 0 "[ . 1 . 2]" 2
1460 1 116 THR H 1 116 THR MG 4.320 . 4.320 3.148 1.949 4.056 . 0 0 "[ . 1 . 2]" 2
1461 1 116 THR HA 1 116 THR MG 3.560 . 3.560 2.769 2.280 3.283 . 0 0 "[ . 1 . 2]" 2
1462 1 120 THR MG 1 121 SER HA 4.450 . 4.450 3.910 3.424 4.319 . 0 0 "[ . 1 . 2]" 2
1463 1 34 THR H 1 34 THR MG 3.650 . 3.650 2.805 2.647 2.987 . 0 0 "[ . 1 . 2]" 2
1464 1 34 THR MG 1 35 VAL H 3.880 . 3.880 3.699 3.552 3.843 . 0 0 "[ . 1 . 2]" 2
1465 1 34 THR MG 2 11 VAL H 3.870 . 3.870 3.002 2.882 3.194 . 0 0 "[ . 1 . 2]" 2
1466 1 34 THR HA 1 34 THR MG 3.640 . 3.640 2.285 2.222 2.312 . 0 0 "[ . 1 . 2]" 2
1467 1 34 THR MG 2 11 VAL QG 5.500 . 5.500 3.974 3.877 4.128 . 0 0 "[ . 1 . 2]" 2
1468 1 69 VAL MG1 1 70 SER H 3.970 . 3.970 3.269 3.115 3.743 . 0 0 "[ . 1 . 2]" 2
1469 1 12 PRO HD3 1 69 VAL MG1 4.230 . 4.230 2.791 2.436 3.351 . 0 0 "[ . 1 . 2]" 2
1470 1 69 VAL HA 1 69 VAL MG1 3.380 . 3.380 2.436 2.348 2.498 . 0 0 "[ . 1 . 2]" 2
1471 1 12 PRO HB2 1 69 VAL MG1 3.470 . 3.470 3.521 3.431 3.573 0.103 1 0 "[ . 1 . 2]" 2
1472 1 12 PRO QG 1 69 VAL MG1 3.490 . 3.490 2.034 1.908 2.429 . 0 0 "[ . 1 . 2]" 2
1473 1 69 VAL H 1 69 VAL MG1 4.000 . 4.000 3.740 3.715 3.778 . 0 0 "[ . 1 . 2]" 2
1474 1 122 VAL QG 1 123 ALA H 3.810 . 3.810 2.928 2.290 3.267 . 0 0 "[ . 1 . 2]" 2
1475 1 71 VAL MG2 1 72 ASN H 3.730 . 3.730 2.817 2.041 3.575 . 0 0 "[ . 1 . 2]" 2
1476 1 71 VAL H 1 71 VAL MG2 4.250 . 4.250 3.934 3.879 3.999 . 0 0 "[ . 1 . 2]" 2
1477 1 71 VAL MG2 1 72 ASN HD21 5.500 . 5.500 4.294 1.784 4.986 0.016 12 0 "[ . 1 . 2]" 2
1478 1 71 VAL HA 1 71 VAL MG2 3.630 . 3.630 2.372 2.269 2.483 . 0 0 "[ . 1 . 2]" 2
1479 1 71 VAL MG2 1 99 LEU MD1 4.020 . 4.020 2.013 1.869 2.156 . 0 0 "[ . 1 . 2]" 2
1480 1 71 VAL MG2 1 97 VAL MG1 3.610 . 3.610 2.171 1.975 2.384 . 0 0 "[ . 1 . 2]" 2
1481 1 74 THR MG 1 75 CYS HB3 4.710 . 4.710 4.261 3.947 4.478 . 0 0 "[ . 1 . 2]" 2
1482 1 122 VAL QG 1 124 ILE H 4.100 . 4.100 3.042 2.537 4.303 0.203 1 0 "[ . 1 . 2]" 2
1483 1 71 VAL MG1 1 72 ASN H 4.270 . 4.270 3.962 3.288 4.262 . 0 0 "[ . 1 . 2]" 2
1484 1 71 VAL H 1 71 VAL MG1 3.920 . 3.920 2.423 2.251 2.561 . 0 0 "[ . 1 . 2]" 2
1485 1 71 VAL HA 1 71 VAL MG1 3.730 . 3.730 3.223 3.196 3.250 . 0 0 "[ . 1 . 2]" 2
1486 1 71 VAL MG1 1 99 LEU MD1 3.480 . 3.480 3.476 3.231 3.615 0.135 10 0 "[ . 1 . 2]" 2
1487 1 74 THR MG 1 75 CYS H 3.560 . 3.560 2.679 2.488 2.880 . 0 0 "[ . 1 . 2]" 2
1488 1 71 VAL H 1 74 THR MG 4.750 . 4.750 4.583 4.052 4.765 0.015 6 0 "[ . 1 . 2]" 2
1489 1 74 THR H 1 74 THR MG 3.820 . 3.820 3.759 3.637 3.894 0.074 11 0 "[ . 1 . 2]" 2
1490 1 74 THR HA 1 74 THR MG 3.430 . 3.430 2.335 2.173 2.456 . 0 0 "[ . 1 . 2]" 2
1491 1 74 THR MG 1 76 VAL QG 3.780 . 3.780 2.738 2.026 3.784 0.004 14 0 "[ . 1 . 2]" 2
1492 1 119 VAL QG 1 121 SER HA 3.860 . 3.860 3.904 3.681 3.994 0.134 17 0 "[ . 1 . 2]" 2
1493 1 97 VAL H 1 97 VAL MG2 3.560 . 3.560 2.472 2.321 2.604 . 0 0 "[ . 1 . 2]" 2
1494 1 24 LEU H 1 97 VAL MG2 4.040 . 4.040 2.797 2.399 3.222 . 0 0 "[ . 1 . 2]" 2
1495 1 97 VAL MG2 1 98 ASP H 4.570 . 4.570 3.613 3.281 3.894 . 0 0 "[ . 1 . 2]" 2
1496 1 24 LEU HB3 1 97 VAL MG2 3.660 . 3.660 3.257 2.773 3.660 0.000 6 0 "[ . 1 . 2]" 2
1497 1 119 VAL H 1 119 VAL QG 3.490 . 3.490 2.419 2.111 2.796 . 0 0 "[ . 1 . 2]" 2
1498 1 119 VAL QG 1 120 THR H 3.700 . 3.700 3.016 2.563 3.475 . 0 0 "[ . 1 . 2]" 2
1499 1 119 VAL HA 1 119 VAL QG 3.030 . 3.030 2.233 2.113 2.461 . 0 0 "[ . 1 . 2]" 2
1500 1 35 VAL H 1 35 VAL MG2 3.560 . 3.560 2.826 1.994 3.689 0.129 2 0 "[ . 1 . 2]" 2
1501 1 35 VAL MG2 2 11 VAL QG 4.050 . 4.050 3.255 2.420 4.151 0.101 16 0 "[ . 1 . 2]" 2
1502 1 51 VAL MG1 1 52 LEU H 3.270 . 3.270 2.758 2.517 3.105 . 0 0 "[ . 1 . 2]" 2
1503 1 51 VAL H 1 51 VAL MG1 3.600 . 3.600 3.700 3.673 3.724 0.124 19 0 "[ . 1 . 2]" 2
1504 1 51 VAL HA 1 51 VAL MG1 3.280 . 3.280 2.411 2.332 2.474 . 0 0 "[ . 1 . 2]" 2
1505 1 95 ALA MB 1 96 SER H 3.120 . 3.120 2.009 1.884 2.160 . 0 0 "[ . 1 . 2]" 2
1506 1 95 ALA H 1 95 ALA MB 2.980 . 2.980 2.457 2.346 2.530 . 0 0 "[ . 1 . 2]" 2
1507 1 91 ILE HA 1 95 ALA MB 4.760 . 4.760 4.702 4.425 4.803 0.043 9 0 "[ . 1 . 2]" 2
1508 1 92 PRO HD2 1 95 ALA MB 3.950 . 3.950 2.358 2.170 2.441 . 0 0 "[ . 1 . 2]" 2
1509 1 92 PRO HD3 1 95 ALA MB 3.600 . 3.600 3.594 3.376 3.702 0.102 9 0 "[ . 1 . 2]" 2
1510 1 92 PRO HB2 1 95 ALA MB 4.290 . 4.290 3.517 3.028 3.938 . 0 0 "[ . 1 . 2]" 2
1511 1 92 PRO QG 1 95 ALA MB 3.650 . 3.650 2.281 2.085 2.640 . 0 0 "[ . 1 . 2]" 2
1512 1 91 ILE MG 1 95 ALA MB 3.140 . 3.140 2.989 2.739 3.181 0.041 14 0 "[ . 1 . 2]" 2
1513 1 26 LYS HB3 1 95 ALA MB 3.900 . 3.900 2.784 2.605 3.074 . 0 0 "[ . 1 . 2]" 2
1514 1 91 ILE MD 1 95 ALA MB 4.260 . 4.260 4.095 3.705 4.290 0.030 9 0 "[ . 1 . 2]" 2
1515 1 51 VAL H 1 51 VAL MG2 3.510 . 3.510 2.353 2.237 2.519 . 0 0 "[ . 1 . 2]" 2
1516 1 33 PHE QD 1 51 VAL MG2 4.690 . 4.690 4.772 4.738 4.798 0.108 6 0 "[ . 1 . 2]" 2
1517 1 33 PHE HA 1 51 VAL MG2 4.140 . 4.140 1.875 1.847 1.922 . 0 0 "[ . 1 . 2]" 2
1518 1 50 LEU HA 1 51 VAL MG2 4.170 . 4.170 3.679 3.410 3.843 . 0 0 "[ . 1 . 2]" 2
1519 1 32 GLY HA3 1 51 VAL MG2 4.460 . 4.460 4.433 4.090 4.534 0.074 13 0 "[ . 1 . 2]" 2
1520 1 32 GLY HA2 1 51 VAL MG2 4.070 . 4.070 3.512 3.062 3.750 . 0 0 "[ . 1 . 2]" 2
1521 1 51 VAL HA 1 51 VAL MG2 3.340 . 3.340 2.421 2.362 2.491 . 0 0 "[ . 1 . 2]" 2
1522 1 34 THR H 1 51 VAL MG2 4.600 . 4.600 2.546 2.358 2.865 . 0 0 "[ . 1 . 2]" 2
1523 1 76 VAL H 1 76 VAL QG . . 3.580 2.171 1.943 2.447 . 0 0 "[ . 1 . 2]" 2
1524 1 76 VAL QG 1 79 HIS H 3.930 . 3.930 3.424 3.241 3.578 . 0 0 "[ . 1 . 2]" 2
1525 1 76 VAL QG 1 77 LEU H . . 3.950 3.408 2.820 3.707 . 0 0 "[ . 1 . 2]" 2
1526 1 76 VAL QG 1 79 HIS HA 4.970 . 4.970 4.438 4.172 4.637 . 0 0 "[ . 1 . 2]" 2
1527 1 76 VAL QG 1 79 HIS HB2 4.960 . 4.960 2.221 1.978 2.427 . 0 0 "[ . 1 . 2]" 2
1528 1 76 VAL QG 1 79 HIS HB3 5.220 . 5.220 2.847 2.522 3.035 . 0 0 "[ . 1 . 2]" 2
1529 1 71 VAL HB 1 76 VAL QG 4.090 . 4.090 3.066 2.537 3.759 . 0 0 "[ . 1 . 2]" 2
1530 1 76 VAL QG 1 84 VAL QG . . 3.680 2.058 1.946 2.275 . 0 0 "[ . 1 . 2]" 2
1531 1 95 ALA MB 1 97 VAL MG1 5.430 . 5.430 4.176 3.967 4.534 . 0 0 "[ . 1 . 2]" 2
1532 1 123 ALA MB 1 124 ILE H 4.040 . 4.040 3.540 2.323 3.675 . 0 0 "[ . 1 . 2]" 2
1533 1 67 VAL MG2 1 69 VAL HA 4.600 . 4.600 3.884 3.687 4.312 . 0 0 "[ . 1 . 2]" 2
1534 1 44 PHE HB2 1 67 VAL MG2 4.550 . 4.550 2.872 2.349 4.434 . 0 0 "[ . 1 . 2]" 2
1535 1 44 PHE HB3 1 67 VAL MG2 4.480 . 4.480 3.177 2.651 4.360 . 0 0 "[ . 1 . 2]" 2
1536 1 67 VAL MG2 1 102 CYS QB 4.490 . 4.490 3.397 1.828 4.369 . 0 0 "[ . 1 . 2]" 2
1537 1 67 VAL MG2 1 69 VAL MG1 4.630 . 4.630 4.543 4.179 4.659 0.029 2 0 "[ . 1 . 2]" 2
1538 1 67 VAL MG2 1 102 CYS H 4.700 . 4.700 3.554 2.134 4.179 . 0 0 "[ . 1 . 2]" 2
1539 1 67 VAL H 1 67 VAL MG2 4.530 . 4.530 3.495 2.306 3.867 . 0 0 "[ . 1 . 2]" 2
1540 1 67 VAL MG2 1 68 ILE H 3.930 . 3.930 2.940 2.631 3.683 . 0 0 "[ . 1 . 2]" 2
1541 1 46 GLN HA 1 67 VAL MG2 4.750 . 4.750 3.336 2.541 4.483 . 0 0 "[ . 1 . 2]" 2
1542 1 75 CYS HA 1 76 VAL QG 4.670 . 4.670 3.834 3.477 4.110 . 0 0 "[ . 1 . 2]" 2
1543 1 71 VAL MG1 1 76 VAL QG 3.620 . 3.620 1.939 1.787 2.414 0.013 17 0 "[ . 1 . 2]" 2
1544 1 56 ALA MB 1 57 ALA H 4.000 . 4.000 2.367 2.175 2.536 . 0 0 "[ . 1 . 2]" 2
1545 1 56 ALA H 1 56 ALA MB 3.330 . 3.330 2.178 2.130 2.243 . 0 0 "[ . 1 . 2]" 2
1546 1 50 LEU HA 1 56 ALA MB 4.900 . 4.900 4.064 3.559 4.256 . 0 0 "[ . 1 . 2]" 2
1547 1 9 THR MG 1 14 GLU HB3 5.260 . 5.260 2.973 2.521 3.622 . 0 0 "[ . 1 . 2]" 2
1548 1 56 ALA MB 1 62 MET HG3 4.860 . 4.860 3.570 3.126 3.921 . 0 0 "[ . 1 . 2]" 2
1549 1 56 ALA MB 1 59 ASP H 5.280 . 5.280 4.839 4.744 4.978 . 0 0 "[ . 1 . 2]" 2
1550 1 9 THR MG 1 10 ARG HA 5.330 . 5.330 4.801 4.280 5.149 . 0 0 "[ . 1 . 2]" 2
1551 1 22 THR MG 1 99 LEU H 4.280 . 4.280 3.738 3.387 3.915 . 0 0 "[ . 1 . 2]" 2
1552 1 22 THR H 1 22 THR MG 3.600 . 3.600 2.208 2.015 2.396 . 0 0 "[ . 1 . 2]" 2
1553 1 22 THR MG 1 23 LYS H 3.920 . 3.920 3.820 3.556 3.954 0.034 5 0 "[ . 1 . 2]" 2
1554 1 21 HIS HA 1 22 THR MG 4.080 . 4.080 3.748 3.467 4.077 . 0 0 "[ . 1 . 2]" 2
1555 1 22 THR MG 1 62 MET HB2 4.560 . 4.560 2.975 1.880 4.580 0.020 9 0 "[ . 1 . 2]" 2
1556 1 22 THR MG 1 99 LEU QB 3.610 . 3.610 2.709 2.415 3.018 . 0 0 "[ . 1 . 2]" 2
1557 1 22 THR MG 1 99 LEU MD2 4.020 . 4.020 3.237 2.607 3.657 . 0 0 "[ . 1 . 2]" 2
1558 1 82 ALA MB 1 83 GLN HG2 4.860 . 4.860 3.173 2.910 3.546 . 0 0 "[ . 1 . 2]" 2
1559 1 81 HIS HB3 1 82 ALA MB 3.860 . 3.860 3.870 3.809 3.919 0.059 10 0 "[ . 1 . 2]" 2
1560 1 57 ALA H 1 57 ALA MB 3.440 . 3.440 2.185 2.160 2.233 . 0 0 "[ . 1 . 2]" 2
1561 1 53 ASP H 1 57 ALA MB 4.050 . 4.050 2.459 2.279 2.753 . 0 0 "[ . 1 . 2]" 2
1562 1 57 ALA MB 1 58 LEU H 3.610 . 3.610 2.204 2.120 2.378 . 0 0 "[ . 1 . 2]" 2
1563 1 54 GLY H 1 57 ALA MB 3.820 . 3.820 2.440 2.234 3.191 . 0 0 "[ . 1 . 2]" 2
1564 1 50 LEU HA 1 57 ALA MB 4.940 . 4.940 4.943 4.793 4.997 0.057 14 0 "[ . 1 . 2]" 2
1565 1 53 ASP HB3 1 57 ALA MB 5.140 . 5.140 5.114 5.005 5.207 0.067 2 0 "[ . 1 . 2]" 2
1566 1 50 LEU MD1 1 57 ALA MB 4.080 . 4.080 2.135 1.940 2.445 . 0 0 "[ . 1 . 2]" 2
1567 1 50 LEU MD2 1 57 ALA MB 4.310 . 4.310 3.348 2.795 4.350 0.040 2 0 "[ . 1 . 2]" 2
1568 1 82 ALA H 1 82 ALA MB 3.060 . 3.060 2.251 2.165 2.328 . 0 0 "[ . 1 . 2]" 2
1569 1 82 ALA MB 1 83 GLN H 3.550 . 3.550 2.697 2.570 2.827 . 0 0 "[ . 1 . 2]" 2
1570 1 36 VAL MG2 1 37 GLY H 4.530 . 4.530 3.919 3.390 4.117 . 0 0 "[ . 1 . 2]" 2
1571 1 36 VAL MG2 1 46 GLN H 4.670 . 4.670 3.282 2.841 3.610 . 0 0 "[ . 1 . 2]" 2
1572 1 36 VAL H 1 36 VAL MG2 3.700 . 3.700 2.086 1.907 2.369 . 0 0 "[ . 1 . 2]" 2
1573 1 36 VAL MG2 1 48 LYS HA 4.660 . 4.660 3.629 3.291 4.296 . 0 0 "[ . 1 . 2]" 2
1574 1 35 VAL HB 1 36 VAL MG2 5.070 . 5.070 4.750 4.124 5.213 0.143 12 0 "[ . 1 . 2]" 2
1575 1 36 VAL MG2 1 46 GLN HB2 4.060 . 4.060 3.545 3.191 3.999 . 0 0 "[ . 1 . 2]" 2
1576 1 68 ILE MG 1 69 VAL H 3.860 . 3.860 2.899 2.627 3.065 . 0 0 "[ . 1 . 2]" 2
1577 1 68 ILE H 1 68 ILE MG 4.280 . 4.280 3.761 3.710 3.812 . 0 0 "[ . 1 . 2]" 2
1578 1 68 ILE MG 1 70 SER H 4.170 . 4.170 3.288 2.487 3.541 . 0 0 "[ . 1 . 2]" 2
1579 1 68 ILE MD 1 68 ILE MG 3.420 . 3.420 1.977 1.815 2.026 . 0 0 "[ . 1 . 2]" 2
1580 1 68 ILE MG 1 76 VAL QG 3.450 . 3.450 2.354 1.855 2.791 . 0 0 "[ . 1 . 2]" 2
1581 1 20 ILE H 1 20 ILE MG 4.450 . 4.450 3.276 3.116 3.429 . 0 0 "[ . 1 . 2]" 2
1582 1 20 ILE HA 1 20 ILE MG 3.230 . 3.230 2.263 2.203 2.321 . 0 0 "[ . 1 . 2]" 2
1583 1 124 ILE H 1 124 ILE MG 4.020 . 4.020 3.847 3.766 4.092 0.072 1 0 "[ . 1 . 2]" 2
1584 1 124 ILE HA 1 124 ILE MG 3.610 . 3.610 2.463 2.328 2.584 . 0 0 "[ . 1 . 2]" 2
1585 1 47 ILE MG 1 48 LYS HA 4.140 . 4.140 3.848 3.180 4.004 . 0 0 "[ . 1 . 2]" 2
1586 1 47 ILE MG 1 65 GLY H 4.100 . 4.100 3.254 2.921 3.408 . 0 0 "[ . 1 . 2]" 2
1587 1 47 ILE MG 1 48 LYS H 3.490 . 3.490 2.749 2.425 2.956 . 0 0 "[ . 1 . 2]" 2
1588 1 47 ILE H 1 47 ILE MG 4.090 . 4.090 3.900 3.863 3.966 . 0 0 "[ . 1 . 2]" 2
1589 1 47 ILE MG 1 49 SER H 4.060 . 4.060 2.410 2.083 2.607 . 0 0 "[ . 1 . 2]" 2
1590 1 47 ILE HA 1 47 ILE MG 3.540 . 3.540 2.387 2.334 2.541 . 0 0 "[ . 1 . 2]" 2
1591 1 91 ILE H 1 91 ILE MG 3.980 . 3.980 3.522 3.094 3.716 . 0 0 "[ . 1 . 2]" 2
1592 1 93 ILE MG 1 94 GLY QA 3.710 . 3.710 3.053 2.956 3.161 . 0 0 "[ . 1 . 2]" 2
1593 1 124 ILE MG 1 125 LEU HA 4.560 . 4.560 3.852 3.178 4.295 . 0 0 "[ . 1 . 2]" 2
1594 1 91 ILE MG 1 92 PRO HD2 3.980 . 3.980 2.165 1.912 2.373 . 0 0 "[ . 1 . 2]" 2
1595 1 91 ILE MG 1 92 PRO HD3 3.710 . 3.710 2.733 1.960 3.154 . 0 0 "[ . 1 . 2]" 2
1596 1 91 ILE HG12 1 91 ILE MG 3.750 . 3.750 2.578 2.520 2.637 . 0 0 "[ . 1 . 2]" 2
1597 1 91 ILE MD 1 91 ILE MG 3.630 . 3.630 1.751 1.713 1.797 0.087 15 0 "[ . 1 . 2]" 2
1598 1 91 ILE MG 1 97 VAL MG2 5.160 . 5.160 4.558 4.169 4.885 . 0 0 "[ . 1 . 2]" 2
1599 1 93 ILE MG 1 94 GLY H 3.450 . 3.450 2.525 2.317 2.885 . 0 0 "[ . 1 . 2]" 2
1600 1 93 ILE H 1 93 ILE MG 3.680 . 3.680 3.729 3.704 3.743 0.063 13 0 "[ . 1 . 2]" 2
1601 1 93 ILE HA 1 93 ILE MG 3.410 . 3.410 2.348 2.286 2.458 . 0 0 "[ . 1 . 2]" 2
1602 1 93 ILE HG13 1 93 ILE MG 3.740 . 3.740 3.192 3.168 3.211 . 0 0 "[ . 1 . 2]" 2
1603 1 93 ILE MD 1 93 ILE MG 2.970 . 2.970 1.948 1.857 1.993 . 0 0 "[ . 1 . 2]" 2
1604 1 93 ILE MG 1 95 ALA H 4.800 . 4.800 4.344 4.108 4.704 . 0 0 "[ . 1 . 2]" 2
1605 1 84 VAL HA 1 87 ILE MG 4.740 . 4.740 4.587 4.350 4.732 . 0 0 "[ . 1 . 2]" 2
1606 1 87 ILE MG 1 88 PHE H 3.950 . 3.950 3.287 3.201 3.340 . 0 0 "[ . 1 . 2]" 2
1607 1 87 ILE H 1 87 ILE MG 3.840 . 3.840 3.793 3.751 3.820 . 0 0 "[ . 1 . 2]" 2
1608 1 87 ILE HA 1 87 ILE MG 3.230 . 3.230 2.435 2.387 2.476 . 0 0 "[ . 1 . 2]" 2
1609 1 87 ILE HG12 1 87 ILE MG 3.630 . 3.630 2.415 2.385 2.496 . 0 0 "[ . 1 . 2]" 2
1610 1 87 ILE HG13 1 87 ILE MG 3.310 . 3.310 3.212 3.202 3.220 . 0 0 "[ . 1 . 2]" 2
1611 1 87 ILE MD 1 87 ILE MG 3.230 . 3.230 1.909 1.857 1.957 . 0 0 "[ . 1 . 2]" 2
1612 1 62 MET ME 1 62 MET HG3 3.380 . 3.380 2.645 2.247 3.408 0.028 12 0 "[ . 1 . 2]" 2
1613 1 56 ALA MB 1 62 MET ME 3.280 . 3.280 2.802 2.284 3.171 . 0 0 "[ . 1 . 2]" 2
1614 1 62 MET ME 1 101 LEU QD 3.000 . 3.000 2.082 1.833 2.855 . 0 0 "[ . 1 . 2]" 2
1615 1 47 ILE MD 1 62 MET ME 3.300 . 3.300 2.443 1.919 3.340 0.040 7 0 "[ . 1 . 2]" 2
1616 1 20 ILE HA 1 20 ILE MD 3.890 . 3.890 3.560 3.505 3.603 . 0 0 "[ . 1 . 2]" 2
1617 1 19 PHE H 1 20 ILE MD 3.720 . 3.720 3.818 3.706 3.855 0.135 14 0 "[ . 1 . 2]" 2
1618 1 20 ILE MD 1 103 ARG QH2 4.140 . 4.140 3.749 2.719 4.200 0.060 11 0 "[ . 1 . 2]" 2
1619 1 18 LYS QE 1 20 ILE MD 4.190 . 4.190 4.100 3.517 4.271 0.081 13 0 "[ . 1 . 2]" 2
1620 1 20 ILE MD 1 103 ARG QB 3.240 . 3.240 2.013 1.923 2.307 . 0 0 "[ . 1 . 2]" 2
1621 1 87 ILE H 1 87 ILE MD 3.790 . 3.790 3.678 3.599 3.795 0.005 18 0 "[ . 1 . 2]" 2
1622 1 87 ILE HA 1 87 ILE MD 3.800 . 3.800 3.829 3.804 3.847 0.047 1 0 "[ . 1 . 2]" 2
1623 1 87 ILE HB 1 87 ILE MD 3.470 . 3.470 2.436 2.391 2.494 . 0 0 "[ . 1 . 2]" 2
1624 1 20 ILE MD 1 103 ARG H 4.420 . 4.420 2.485 2.287 2.843 . 0 0 "[ . 1 . 2]" 2
1625 1 20 ILE MD 1 103 ARG HD2 5.040 . 5.040 5.068 4.839 5.161 0.121 5 0 "[ . 1 . 2]" 2
1626 1 68 ILE MD 1 88 PHE QE 4.930 . 4.930 3.991 2.932 4.876 . 0 0 "[ . 1 . 2]" 2
1627 1 91 ILE H 1 91 ILE MD 4.190 . 4.190 3.795 3.440 4.023 . 0 0 "[ . 1 . 2]" 2
1628 1 88 PHE HA 1 91 ILE MD 3.780 . 3.780 2.532 2.221 2.920 . 0 0 "[ . 1 . 2]" 2
1629 1 91 ILE HA 1 91 ILE MD 4.100 . 4.100 3.730 3.590 4.049 . 0 0 "[ . 1 . 2]" 2
1630 1 91 ILE MD 1 92 PRO HD3 4.220 . 4.220 4.366 4.265 4.451 0.231 1 0 "[ . 1 . 2]" 2
1631 1 91 ILE MD 1 97 VAL MG2 4.000 . 4.000 3.479 2.693 4.038 0.038 11 0 "[ . 1 . 2]" 2
1632 1 123 ALA HA 1 124 ILE MD 4.670 . 4.670 4.290 3.374 4.771 0.101 19 0 "[ . 1 . 2]" 2
1633 1 124 ILE H 1 124 ILE MD 4.160 . 4.160 3.146 2.290 3.828 . 0 0 "[ . 1 . 2]" 2
1634 1 124 ILE HA 1 124 ILE MD 4.320 . 4.320 2.684 2.058 3.918 . 0 0 "[ . 1 . 2]" 2
1635 1 124 ILE HB 1 124 ILE MD 3.650 . 3.650 2.852 2.329 3.263 . 0 0 "[ . 1 . 2]" 2
1636 1 122 VAL QG 1 124 ILE MD 3.710 . 3.710 2.722 1.863 3.777 0.067 1 0 "[ . 1 . 2]" 2
1637 1 123 ALA H 1 124 ILE MD 4.750 . 4.750 3.444 1.793 4.765 0.015 12 0 "[ . 1 . 2]" 2
1638 1 93 ILE HA 1 93 ILE MD 3.910 . 3.910 3.892 3.813 3.946 0.036 12 0 "[ . 1 . 2]" 2
1639 1 93 ILE H 1 93 ILE MD 3.570 . 3.570 3.420 3.359 3.533 . 0 0 "[ . 1 . 2]" 2
1640 1 28 SER HA 1 93 ILE MD 3.430 . 3.430 2.605 2.268 3.076 . 0 0 "[ . 1 . 2]" 2
1641 1 28 SER HB3 1 93 ILE MD 4.030 . 4.030 3.698 2.993 4.085 0.055 13 0 "[ . 1 . 2]" 2
1642 1 93 ILE HB 1 93 ILE MD 2.830 . 2.830 2.409 2.339 2.490 . 0 0 "[ . 1 . 2]" 2
1643 1 47 ILE MD 1 48 LYS H 4.160 . 4.160 4.010 3.698 4.412 0.252 8 0 "[ . 1 . 2]" 2
1644 1 47 ILE H 1 47 ILE MD 4.040 . 4.040 3.000 2.132 3.405 . 0 0 "[ . 1 . 2]" 2
1645 1 47 ILE HA 1 47 ILE MD 3.720 . 3.720 2.241 2.058 2.620 . 0 0 "[ . 1 . 2]" 2
1646 1 47 ILE MD 1 68 ILE MD 3.630 . 3.630 2.131 2.006 2.405 . 0 0 "[ . 1 . 2]" 2
1647 1 47 ILE MD 1 47 ILE MG 3.360 . 3.360 2.174 1.972 3.194 . 0 0 "[ . 1 . 2]" 2
1648 1 33 PHE QD 1 47 ILE HG12 5.480 . 5.480 4.854 3.256 5.222 . 0 0 "[ . 1 . 2]" 2
1649 1 31 PHE HZ 1 99 LEU MD1 5.500 . 5.500 3.619 2.881 4.132 . 0 0 "[ . 1 . 2]" 2
1650 1 79 HIS HA 1 79 HIS HE1 5.500 . 5.500 4.692 4.447 4.902 . 0 0 "[ . 1 . 2]" 2
1651 1 79 HIS HD2 1 80 THR H 5.460 . 5.460 4.002 3.606 4.573 . 0 0 "[ . 1 . 2]" 2
1652 1 45 LEU MD1 1 79 HIS HD2 4.820 . 4.820 4.886 4.848 4.932 0.112 14 0 "[ . 1 . 2]" 2
1653 1 81 HIS HE1 1 84 VAL QG 5.330 . 5.330 4.809 4.495 5.364 0.034 14 0 "[ . 1 . 2]" 2
1654 1 79 HIS H 1 79 HIS HD2 5.350 . 5.350 5.364 5.272 5.390 0.040 9 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 104
_Distance_constraint_stats_list.Viol_count 879
_Distance_constraint_stats_list.Viol_total 1904.437
_Distance_constraint_stats_list.Viol_max 1.728
_Distance_constraint_stats_list.Viol_rms 0.1737
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0458
_Distance_constraint_stats_list.Viol_average_violations_only 0.1083
_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 11 ASN 3.421 0.157 9 0 "[ . 1 . 2]"
1 14 GLU 0.026 0.026 13 0 "[ . 1 . 2]"
1 15 LEU 3.395 0.157 9 0 "[ . 1 . 2]"
1 18 LYS 0.781 0.094 20 0 "[ . 1 . 2]"
1 20 ILE 0.030 0.027 14 0 "[ . 1 . 2]"
1 22 THR 1.283 0.106 2 0 "[ . 1 . 2]"
1 24 LEU 0.628 0.049 12 0 "[ . 1 . 2]"
1 26 LYS 6.614 0.234 17 0 "[ . 1 . 2]"
1 27 SER 1.103 0.164 2 0 "[ . 1 . 2]"
1 30 GLY 1.103 0.164 2 0 "[ . 1 . 2]"
1 32 GLY 3.095 0.139 6 0 "[ . 1 . 2]"
1 33 PHE 0.773 0.133 2 0 "[ . 1 . 2]"
1 34 THR 0.925 0.068 11 0 "[ . 1 . 2]"
1 35 VAL 0.527 0.088 20 0 "[ . 1 . 2]"
1 36 VAL 4.045 0.128 9 0 "[ . 1 . 2]"
1 37 GLY 3.165 0.252 19 0 "[ . 1 . 2]"
1 38 GLY 5.208 0.285 18 0 "[ . 1 . 2]"
1 40 GLU 5.541 0.200 8 0 "[ . 1 . 2]"
1 43 GLU 5.541 0.200 8 0 "[ . 1 . 2]"
1 44 PHE 0.037 0.020 14 0 "[ . 1 . 2]"
1 45 LEU 8.171 0.235 14 0 "[ . 1 . 2]"
1 46 GLN 4.045 0.128 9 0 "[ . 1 . 2]"
1 47 ILE 1.370 0.082 9 0 "[ . 1 . 2]"
1 48 LYS 0.393 0.068 11 0 "[ . 1 . 2]"
1 49 SER 0.532 0.051 13 0 "[ . 1 . 2]"
1 51 VAL 1.394 0.137 9 0 "[ . 1 . 2]"
1 63 GLU 41.258 1.728 17 13 "[** *.*-*** * **+ *]"
1 65 GLY 0.529 0.060 7 0 "[ . 1 . 2]"
1 66 ASP 42.099 1.728 17 13 "[** *.*-*** * **+ *]"
1 67 VAL 0.268 0.039 1 0 "[ . 1 . 2]"
1 68 ILE 8.171 0.235 14 0 "[ . 1 . 2]"
1 69 VAL 0.103 0.044 20 0 "[ . 1 . 2]"
1 70 SER 0.032 0.032 14 0 "[ . 1 . 2]"
1 71 VAL 0.312 0.069 4 0 "[ . 1 . 2]"
1 72 ASN 1.308 0.076 6 0 "[ . 1 . 2]"
1 74 THR 0.312 0.069 4 0 "[ . 1 . 2]"
1 76 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 THR 0.274 0.044 10 0 "[ . 1 . 2]"
1 81 HIS 5.652 0.285 18 0 "[ . 1 . 2]"
1 82 ALA 1.337 0.103 5 0 "[ . 1 . 2]"
1 83 GLN 0.777 0.091 6 0 "[ . 1 . 2]"
1 84 VAL 0.178 0.032 18 0 "[ . 1 . 2]"
1 85 VAL 0.715 0.057 20 0 "[ . 1 . 2]"
1 86 LYS 2.051 0.103 5 0 "[ . 1 . 2]"
1 87 ILE 2.220 0.136 13 0 "[ . 1 . 2]"
1 88 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 GLN 0.233 0.038 12 0 "[ . 1 . 2]"
1 90 SER 0.714 0.069 10 0 "[ . 1 . 2]"
1 91 ILE 1.538 0.136 13 0 "[ . 1 . 2]"
1 94 GLY 1.155 0.081 18 0 "[ . 1 . 2]"
1 95 ALA 5.459 0.234 17 0 "[ . 1 . 2]"
1 97 VAL 0.628 0.049 12 0 "[ . 1 . 2]"
1 98 ASP 1.308 0.076 6 0 "[ . 1 . 2]"
1 99 LEU 1.283 0.106 2 0 "[ . 1 . 2]"
1 100 GLU 0.135 0.044 20 0 "[ . 1 . 2]"
1 101 LEU 0.030 0.027 14 0 "[ . 1 . 2]"
1 102 CYS 0.268 0.039 1 0 "[ . 1 . 2]"
1 103 ARG 0.781 0.094 20 0 "[ . 1 . 2]"
2 7 ARG 3.165 0.252 19 0 "[ . 1 . 2]"
2 9 THR 0.527 0.088 20 0 "[ . 1 . 2]"
2 11 VAL 2.474 0.139 6 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 33 PHE O 2 11 VAL H 1.800 . 2.300 2.151 1.945 2.316 0.016 10 0 "[ . 1 . 2]" 3
2 1 33 PHE O 2 11 VAL N 2.800 2.800 3.300 3.068 2.808 3.228 . 0 0 "[ . 1 . 2]" 3
3 1 35 VAL O 2 9 THR H 1.800 . 2.300 2.035 1.777 2.388 0.088 20 0 "[ . 1 . 2]" 3
4 1 35 VAL O 2 9 THR N 2.800 2.800 3.300 2.893 2.726 3.207 0.074 10 0 "[ . 1 . 2]" 3
5 1 37 GLY O 2 7 ARG H 1.800 . 2.300 2.437 2.332 2.552 0.252 19 0 "[ . 1 . 2]" 3
6 1 37 GLY O 2 7 ARG N 2.800 2.800 3.300 3.218 3.115 3.321 0.021 14 0 "[ . 1 . 2]" 3
7 1 11 ASN O 1 14 GLU H 1.800 . 2.300 2.011 1.854 2.155 . 0 0 "[ . 1 . 2]" 3
8 1 11 ASN O 1 14 GLU N 2.800 2.800 3.300 2.890 2.774 3.026 0.026 13 0 "[ . 1 . 2]" 3
9 1 11 ASN O 1 15 LEU H 1.800 . 2.300 2.417 2.382 2.457 0.157 9 0 "[ . 1 . 2]" 3
10 1 11 ASN O 1 15 LEU N 2.800 2.800 3.300 3.353 3.323 3.400 0.100 9 0 "[ . 1 . 2]" 3
11 1 20 ILE H 1 101 LEU O 1.800 . 2.300 1.961 1.866 2.089 . 0 0 "[ . 1 . 2]" 3
12 1 20 ILE N 1 101 LEU O 2.800 2.800 3.300 2.933 2.831 3.044 . 0 0 "[ . 1 . 2]" 3
13 1 22 THR H 1 99 LEU O 1.800 . 2.300 1.971 1.857 2.233 . 0 0 "[ . 1 . 2]" 3
14 1 22 THR N 1 99 LEU O 2.800 2.800 3.300 2.856 2.788 3.004 0.012 15 0 "[ . 1 . 2]" 3
15 1 24 LEU H 1 97 VAL O 1.800 . 2.300 1.889 1.792 1.960 0.008 12 0 "[ . 1 . 2]" 3
16 1 24 LEU N 1 97 VAL O 2.800 2.800 3.300 2.801 2.751 2.867 0.049 12 0 "[ . 1 . 2]" 3
17 1 26 LYS H 1 95 ALA O 1.800 . 2.300 2.201 1.951 2.343 0.043 9 0 "[ . 1 . 2]" 3
18 1 26 LYS N 1 95 ALA O 2.800 2.800 3.300 2.773 2.730 2.816 0.070 16 0 "[ . 1 . 2]" 3
19 1 27 SER H 1 30 GLY O 1.800 . 2.300 2.355 2.302 2.464 0.164 2 0 "[ . 1 . 2]" 3
20 1 27 SER N 1 30 GLY O 2.800 2.800 3.300 3.108 2.995 3.272 . 0 0 "[ . 1 . 2]" 3
21 1 32 GLY H 2 11 VAL O 1.800 . 2.300 2.319 1.761 2.439 0.139 6 0 "[ . 1 . 2]" 3
22 1 32 GLY N 2 11 VAL O 2.800 2.800 3.300 3.013 2.692 3.153 0.108 2 0 "[ . 1 . 2]" 3
23 1 33 PHE H 2 11 VAL OXT 1.800 . 2.300 1.883 1.782 2.433 0.133 2 0 "[ . 1 . 2]" 3
24 1 33 PHE N 2 11 VAL OXT 2.800 2.800 3.300 2.831 2.750 3.314 0.050 8 0 "[ . 1 . 2]" 3
25 1 34 THR H 1 49 SER O 1.800 . 2.300 1.856 1.787 1.965 0.013 1 0 "[ . 1 . 2]" 3
26 1 34 THR N 1 49 SER O 2.800 2.800 3.300 2.798 2.752 2.884 0.048 4 0 "[ . 1 . 2]" 3
27 1 35 VAL H 2 9 THR O 1.800 . 2.300 1.987 1.808 2.344 0.044 10 0 "[ . 1 . 2]" 3
28 1 35 VAL N 2 9 THR O 2.800 2.800 3.300 2.943 2.786 3.291 0.014 3 0 "[ . 1 . 2]" 3
29 1 36 VAL H 1 46 GLN O 1.800 . 2.300 1.761 1.713 1.801 0.087 10 0 "[ . 1 . 2]" 3
30 1 36 VAL N 1 46 GLN O 2.800 2.800 3.300 2.701 2.672 2.731 0.128 9 0 "[ . 1 . 2]" 3
31 1 37 GLY H 2 7 ARG O 1.800 . 2.300 2.110 1.847 2.385 0.085 13 0 "[ . 1 . 2]" 3
32 1 37 GLY N 2 7 ARG O 2.800 2.800 3.300 2.942 2.759 3.233 0.041 8 0 "[ . 1 . 2]" 3
33 1 38 GLY H 1 44 PHE O 1.800 . 2.300 1.950 1.803 2.296 . 0 0 "[ . 1 . 2]" 3
34 1 38 GLY N 1 44 PHE O 2.800 2.800 3.300 2.915 2.780 3.248 0.020 14 0 "[ . 1 . 2]" 3
35 1 40 GLU H 1 43 GLU O 1.800 . 2.300 2.450 2.397 2.500 0.200 8 0 "[ . 1 . 2]" 3
36 1 40 GLU N 1 43 GLU O 2.800 2.800 3.300 3.425 3.375 3.479 0.179 8 0 "[ . 1 . 2]" 3
37 1 40 GLU O 1 43 GLU H 1.800 . 2.300 2.061 1.834 2.192 . 0 0 "[ . 1 . 2]" 3
38 1 40 GLU O 1 43 GLU N 2.800 2.800 3.300 2.896 2.770 3.074 0.030 19 0 "[ . 1 . 2]" 3
39 1 45 LEU H 1 68 ILE O 1.800 . 2.300 2.512 2.472 2.535 0.235 14 0 "[ . 1 . 2]" 3
40 1 45 LEU N 1 68 ILE O 2.800 2.800 3.300 3.383 3.339 3.424 0.124 14 0 "[ . 1 . 2]" 3
41 1 36 VAL O 1 46 GLN H 1.800 . 2.300 1.870 1.799 1.979 0.001 3 0 "[ . 1 . 2]" 3
42 1 36 VAL O 1 46 GLN N 2.800 2.800 3.300 2.736 2.677 2.773 0.123 7 0 "[ . 1 . 2]" 3
43 1 47 ILE H 1 66 ASP O 1.800 . 2.300 1.873 1.767 2.322 0.033 2 0 "[ . 1 . 2]" 3
44 1 47 ILE N 1 66 ASP O 2.800 2.800 3.300 2.780 2.718 2.954 0.082 9 0 "[ . 1 . 2]" 3
45 1 34 THR O 1 48 LYS H 1.800 . 2.300 1.896 1.788 2.213 0.012 11 0 "[ . 1 . 2]" 3
46 1 34 THR O 1 48 LYS N 2.800 2.800 3.300 2.817 2.732 3.116 0.068 11 0 "[ . 1 . 2]" 3
47 1 34 THR O 1 49 SER H 1.800 . 2.300 2.202 1.988 2.351 0.051 13 0 "[ . 1 . 2]" 3
48 1 34 THR O 1 49 SER N 2.800 2.800 3.300 3.134 2.926 3.292 . 0 0 "[ . 1 . 2]" 3
49 1 32 GLY O 1 51 VAL H 1.800 . 2.300 2.370 2.329 2.437 0.137 9 0 "[ . 1 . 2]" 3
50 1 32 GLY O 1 51 VAL N 2.800 2.800 3.300 3.115 3.059 3.180 . 0 0 "[ . 1 . 2]" 3
51 1 63 GLU H 1 66 ASP OD1 1.800 . 2.300 3.355 2.235 4.028 1.728 17 13 "[** *.*-*** * **+ *]" 3
52 1 63 GLU N 1 66 ASP OD1 2.800 2.800 3.300 4.275 3.024 5.001 1.701 17 13 "[** *.*-*** * **+ *]" 3
53 1 47 ILE O 1 65 GLY H 1.800 . 2.300 2.283 1.899 2.360 0.060 7 0 "[ . 1 . 2]" 3
54 1 47 ILE O 1 65 GLY N 2.800 2.800 3.300 3.063 2.803 3.218 . 0 0 "[ . 1 . 2]" 3
55 1 63 GLU O 1 66 ASP H 1.800 . 2.300 2.255 2.089 2.368 0.068 11 0 "[ . 1 . 2]" 3
56 1 63 GLU O 1 66 ASP N 2.800 2.800 3.300 3.161 3.003 3.310 0.010 11 0 "[ . 1 . 2]" 3
57 1 67 VAL H 1 102 CYS O 1.800 . 2.300 1.875 1.783 2.143 0.017 16 0 "[ . 1 . 2]" 3
58 1 67 VAL N 1 102 CYS O 2.800 2.800 3.300 2.822 2.761 3.021 0.039 1 0 "[ . 1 . 2]" 3
59 1 45 LEU O 1 68 ILE H 1.800 . 2.300 1.960 1.785 2.127 0.015 1 0 "[ . 1 . 2]" 3
60 1 45 LEU O 1 68 ILE N 2.800 2.800 3.300 2.687 2.653 2.753 0.147 1 0 "[ . 1 . 2]" 3
61 1 69 VAL H 1 100 GLU O 1.800 . 2.300 2.167 1.830 2.344 0.044 20 0 "[ . 1 . 2]" 3
62 1 69 VAL N 1 100 GLU O 2.800 2.800 3.300 3.027 2.768 3.169 0.032 3 0 "[ . 1 . 2]" 3
63 1 70 SER H 1 100 GLU O 1.800 . 2.300 2.021 1.891 2.332 0.032 14 0 "[ . 1 . 2]" 3
64 1 70 SER N 1 100 GLU O 2.800 2.800 3.300 2.975 2.869 3.235 . 0 0 "[ . 1 . 2]" 3
65 1 71 VAL H 1 74 THR O 1.800 . 2.300 2.171 1.880 2.319 0.019 18 0 "[ . 1 . 2]" 3
66 1 71 VAL N 1 74 THR O 2.800 2.800 3.300 3.130 2.863 3.296 . 0 0 "[ . 1 . 2]" 3
67 1 72 ASN H 1 98 ASP O 1.800 . 2.300 1.853 1.758 2.354 0.054 12 0 "[ . 1 . 2]" 3
68 1 72 ASN N 1 98 ASP O 2.800 2.800 3.300 2.775 2.724 3.271 0.076 6 0 "[ . 1 . 2]" 3
69 1 71 VAL O 1 74 THR H 1.800 . 2.300 2.157 1.843 2.369 0.069 4 0 "[ . 1 . 2]" 3
70 1 71 VAL O 1 74 THR N 2.800 2.800 3.300 2.899 2.790 3.009 0.010 10 0 "[ . 1 . 2]" 3
71 1 76 VAL O 1 79 HIS H 1.800 . 2.300 2.124 1.988 2.269 . 0 0 "[ . 1 . 2]" 3
72 1 76 VAL O 1 79 HIS N 2.800 2.800 3.300 2.971 2.879 3.109 . 0 0 "[ . 1 . 2]" 3
73 1 38 GLY O 1 81 HIS H 1.800 . 2.300 2.484 2.388 2.585 0.285 18 0 "[ . 1 . 2]" 3
74 1 38 GLY O 1 81 HIS N 2.800 2.800 3.300 2.727 2.672 2.814 0.128 7 0 "[ . 1 . 2]" 3
75 1 80 THR O 1 83 GLN H 1.800 . 2.300 2.078 1.999 2.126 . 0 0 "[ . 1 . 2]" 3
76 1 80 THR O 1 83 GLN N 2.800 2.800 3.300 2.804 2.756 2.845 0.044 10 0 "[ . 1 . 2]" 3
77 1 80 THR O 1 84 VAL H 1.800 . 2.300 1.831 1.792 1.963 0.008 18 0 "[ . 1 . 2]" 3
78 1 80 THR O 1 84 VAL N 2.800 2.800 3.300 2.807 2.768 2.933 0.032 18 0 "[ . 1 . 2]" 3
79 1 81 HIS O 1 85 VAL H 1.800 . 2.300 1.841 1.782 2.090 0.018 20 0 "[ . 1 . 2]" 3
80 1 81 HIS O 1 85 VAL N 2.800 2.800 3.300 2.803 2.743 3.038 0.057 20 0 "[ . 1 . 2]" 3
81 1 82 ALA O 1 86 LYS H 1.800 . 2.300 2.367 2.331 2.403 0.103 5 0 "[ . 1 . 2]" 3
82 1 82 ALA O 1 86 LYS N 2.800 2.800 3.300 3.235 3.188 3.306 0.006 3 0 "[ . 1 . 2]" 3
83 1 83 GLN O 1 87 ILE H 1.800 . 2.300 2.328 2.269 2.391 0.091 6 0 "[ . 1 . 2]" 3
84 1 83 GLN O 1 87 ILE N 2.800 2.800 3.300 3.165 3.094 3.245 . 0 0 "[ . 1 . 2]" 3
85 1 84 VAL O 1 88 PHE H 1.800 . 2.300 2.013 1.876 2.165 . 0 0 "[ . 1 . 2]" 3
86 1 84 VAL O 1 88 PHE N 2.800 2.800 3.300 2.983 2.854 3.124 . 0 0 "[ . 1 . 2]" 3
87 1 85 VAL O 1 89 GLN H 1.800 . 2.300 1.900 1.855 1.981 . 0 0 "[ . 1 . 2]" 3
88 1 85 VAL O 1 89 GLN N 2.800 2.800 3.300 2.794 2.762 2.900 0.038 12 0 "[ . 1 . 2]" 3
89 1 86 LYS O 1 90 SER H 1.800 . 2.300 2.321 2.029 2.369 0.069 10 0 "[ . 1 . 2]" 3
90 1 86 LYS O 1 90 SER N 2.800 2.800 3.300 3.068 2.773 3.192 0.027 17 0 "[ . 1 . 2]" 3
91 1 87 ILE O 1 91 ILE H 1.800 . 2.300 2.377 2.330 2.436 0.136 13 0 "[ . 1 . 2]" 3
92 1 87 ILE O 1 91 ILE N 2.800 2.800 3.300 3.083 2.965 3.229 . 0 0 "[ . 1 . 2]" 3
93 1 26 LYS O 1 94 GLY H 1.800 . 2.300 1.848 1.774 1.924 0.026 4 0 "[ . 1 . 2]" 3
94 1 26 LYS O 1 94 GLY N 2.800 2.800 3.300 2.745 2.719 2.770 0.081 18 0 "[ . 1 . 2]" 3
95 1 26 LYS O 1 95 ALA H 1.800 . 2.300 2.496 2.451 2.534 0.234 17 0 "[ . 1 . 2]" 3
96 1 26 LYS O 1 95 ALA N 2.800 2.800 3.300 3.327 3.180 3.387 0.087 17 0 "[ . 1 . 2]" 3
97 1 24 LEU O 1 97 VAL H 1.800 . 2.300 2.310 2.145 2.348 0.048 16 0 "[ . 1 . 2]" 3
98 1 24 LEU O 1 97 VAL N 2.800 2.800 3.300 3.142 3.009 3.228 . 0 0 "[ . 1 . 2]" 3
99 1 22 THR O 1 99 LEU H 1.800 . 2.300 1.824 1.774 1.904 0.026 3 0 "[ . 1 . 2]" 3
100 1 22 THR O 1 99 LEU N 2.800 2.800 3.300 2.741 2.694 2.784 0.106 2 0 "[ . 1 . 2]" 3
101 1 20 ILE O 1 101 LEU H 1.800 . 2.300 1.909 1.807 2.031 . 0 0 "[ . 1 . 2]" 3
102 1 20 ILE O 1 101 LEU N 2.800 2.800 3.300 2.881 2.773 3.010 0.027 14 0 "[ . 1 . 2]" 3
103 1 18 LYS O 1 103 ARG H 1.800 . 2.300 1.852 1.797 2.004 0.003 9 0 "[ . 1 . 2]" 3
104 1 18 LYS O 1 103 ARG N 2.800 2.800 3.300 2.768 2.706 2.941 0.094 20 0 "[ . 1 . 2]" 3
stop_
save_
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