NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
587971 |
2mpe   |
19042 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mpe
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 1498
_Distance_constraint_stats_list.Viol_count 476
_Distance_constraint_stats_list.Viol_total 931.756
_Distance_constraint_stats_list.Viol_max 0.571
_Distance_constraint_stats_list.Viol_rms 0.0252
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.1305
_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 3 MET 0.000 0.000 . 0 "[ . 1 .]"
1 4 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 5 MET 0.000 0.000 . 0 "[ . 1 .]"
1 6 SER 0.561 0.207 15 0 "[ . 1 .]"
1 7 PRO 0.742 0.207 15 0 "[ . 1 .]"
1 8 ASP 0.166 0.166 14 0 "[ . 1 .]"
1 9 THR 2.058 0.496 13 0 "[ . 1 .]"
1 10 ALA 1.129 0.257 15 0 "[ . 1 .]"
1 11 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 12 ARG 1.346 0.496 13 0 "[ . 1 .]"
1 13 PHE 0.438 0.075 14 0 "[ . 1 .]"
1 14 ASP 2.962 0.213 11 0 "[ . 1 .]"
1 15 THR 0.781 0.158 12 0 "[ . 1 .]"
1 16 GLU 1.966 0.341 3 0 "[ . 1 .]"
1 17 PHE 0.311 0.075 14 0 "[ . 1 .]"
1 18 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 19 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 20 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 21 ILE 0.007 0.007 10 0 "[ . 1 .]"
1 22 ALA 0.040 0.019 13 0 "[ . 1 .]"
1 23 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 25 ILE 0.379 0.257 1 0 "[ . 1 .]"
1 26 ALA 0.299 0.052 13 0 "[ . 1 .]"
1 27 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 28 LEU 2.652 0.292 1 0 "[ . 1 .]"
1 29 LEU 0.142 0.060 6 0 "[ . 1 .]"
1 30 ASN 0.414 0.414 6 0 "[ . 1 .]"
1 31 HIS 0.414 0.414 6 0 "[ . 1 .]"
1 32 ARG 0.311 0.067 7 0 "[ . 1 .]"
1 33 ALA 0.722 0.258 7 0 "[ . 1 .]"
1 34 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 35 THR 0.281 0.095 7 0 "[ . 1 .]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 37 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 38 VAL 0.136 0.136 10 0 "[ . 1 .]"
1 39 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 40 TYR 0.806 0.405 15 0 "[ . 1 .]"
1 41 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 43 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 45 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 46 PRO 0.597 0.405 15 0 "[ . 1 .]"
1 47 THR 0.062 0.062 15 0 "[ . 1 .]"
1 48 GLN 0.240 0.136 10 0 "[ . 1 .]"
1 49 VAL 0.384 0.028 10 0 "[ . 1 .]"
1 50 ARG 0.160 0.152 15 0 "[ . 1 .]"
1 51 ILE 0.302 0.130 8 0 "[ . 1 .]"
1 52 VAL 0.197 0.095 7 0 "[ . 1 .]"
1 53 ALA 0.722 0.258 7 0 "[ . 1 .]"
1 54 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 55 HIS 0.009 0.009 1 0 "[ . 1 .]"
1 56 ALA 0.160 0.113 15 0 "[ . 1 .]"
1 57 GLU 1.276 0.450 15 0 "[ . 1 .]"
1 58 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 59 VAL 1.098 0.368 12 0 "[ . 1 .]"
1 60 ARG 2.237 0.368 12 0 "[ . 1 .]"
1 61 GLY 0.180 0.169 8 0 "[ . 1 .]"
1 62 TYR 3.967 0.425 7 0 "[ . 1 .]"
1 63 ALA 1.259 0.240 7 0 "[ . 1 .]"
1 64 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 65 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 66 LEU 0.023 0.021 10 0 "[ . 1 .]"
1 67 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 68 LEU 0.042 0.042 15 0 "[ . 1 .]"
1 69 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 70 LEU 0.488 0.052 5 0 "[ . 1 .]"
1 71 THR 0.166 0.102 15 0 "[ . 1 .]"
1 72 TRP 0.000 0.000 . 0 "[ . 1 .]"
1 73 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 74 THR 0.343 0.343 14 0 "[ . 1 .]"
1 75 ASP 0.343 0.343 14 0 "[ . 1 .]"
1 76 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 77 ILE 0.244 0.179 11 0 "[ . 1 .]"
1 78 GLU 1.450 0.400 6 0 "[ . 1 .]"
1 79 ARG 2.030 0.234 10 0 "[ . 1 .]"
1 80 LEU 3.346 0.571 3 1 "[ + . 1 .]"
1 81 MET 3.182 0.400 6 0 "[ . 1 .]"
1 82 GLU 0.530 0.193 10 0 "[ . 1 .]"
1 83 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 84 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 85 GLY 1.924 0.277 2 0 "[ . 1 .]"
1 86 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 87 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 88 ARG 3.317 0.571 3 1 "[ + . 1 .]"
1 89 PHE 0.338 0.331 11 0 "[ . 1 .]"
1 90 GLU 0.570 0.331 11 0 "[ . 1 .]"
1 91 ARG 3.762 0.437 5 0 "[ . 1 .]"
1 92 TYR 3.080 0.377 5 0 "[ . 1 .]"
1 93 LEU 0.042 0.042 5 0 "[ . 1 .]"
1 94 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 95 ALA 0.132 0.036 2 0 "[ . 1 .]"
1 96 LEU 3.133 0.228 13 0 "[ . 1 .]"
1 97 PRO 3.581 0.299 12 0 "[ . 1 .]"
1 98 ARG 3.165 0.299 12 0 "[ . 1 .]"
1 99 LYS 4.783 0.489 7 0 "[ . 1 .]"
1 100 LEU 4.783 0.489 7 0 "[ . 1 .]"
1 101 ALA 1.224 0.356 9 0 "[ . 1 .]"
1 102 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 103 TRP 0.018 0.009 11 0 "[ . 1 .]"
1 104 GLU 3.017 0.356 9 0 "[ . 1 .]"
1 105 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 106 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 107 ARG 5.275 0.446 1 0 "[ . 1 .]"
1 108 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 109 VAL 0.173 0.091 9 0 "[ . 1 .]"
1 110 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 111 PHE 0.658 0.130 8 0 "[ . 1 .]"
1 112 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 113 SER 1.655 0.267 2 0 "[ . 1 .]"
1 114 ARG 0.053 0.034 12 0 "[ . 1 .]"
1 115 THR 1.102 0.286 7 0 "[ . 1 .]"
1 116 GLN 2.616 0.425 7 0 "[ . 1 .]"
1 117 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 118 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 119 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 120 LEU 0.426 0.396 1 0 "[ . 1 .]"
1 121 VAL 2.406 0.310 6 0 "[ . 1 .]"
1 122 LEU 0.030 0.030 4 0 "[ . 1 .]"
1 123 LEU 5.308 0.446 1 0 "[ . 1 .]"
1 124 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 125 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 126 LEU 0.054 0.045 7 0 "[ . 1 .]"
1 127 ASP 0.045 0.045 7 0 "[ . 1 .]"
1 128 PHE 0.179 0.179 11 0 "[ . 1 .]"
1 129 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 130 ALA 0.000 0.000 . 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 123 LEU HA 1 123 LEU MD1 4.366 . 6.749 3.235 3.104 3.372 . 0 0 "[ . 1 .]" 1
2 1 123 LEU HB2 1 123 LEU MD1 2.829 . 3.829 2.182 2.085 2.230 . 0 0 "[ . 1 .]" 1
3 1 122 LEU HB3 1 122 LEU QD 2.656 . 3.538 2.122 2.120 2.126 . 0 0 "[ . 1 .]" 1
4 1 116 GLN HB2 1 116 GLN QG 2.585 . 3.420 2.341 2.286 2.389 . 0 0 "[ . 1 .]" 1
5 1 114 ARG QD 1 114 ARG HG3 2.176 . 2.768 2.331 2.169 2.429 . 0 0 "[ . 1 .]" 1
6 1 29 LEU MD1 1 111 PHE QD 3.621 . 5.260 2.426 1.961 2.984 0.021 10 0 "[ . 1 .]" 1
7 1 51 ILE MD 1 111 PHE QE 4.194 . 6.393 2.244 1.865 2.504 0.130 8 0 "[ . 1 .]" 1
8 1 107 ARG HA 1 107 ARG QG 3.440 . 4.919 2.994 2.883 3.080 . 0 0 "[ . 1 .]" 1
9 1 107 ARG HD3 1 107 ARG QG 3.343 . 4.740 2.178 2.174 2.180 . 0 0 "[ . 1 .]" 1
10 1 107 ARG HD2 1 107 ARG QG 2.436 . 3.178 2.332 2.283 2.371 . 0 0 "[ . 1 .]" 1
11 1 29 LEU HA 1 29 LEU HB3 2.379 . 3.087 2.002 1.999 2.007 . 0 0 "[ . 1 .]" 1
12 1 102 ALA HA 1 105 ASN QB 2.908 . 3.965 3.178 2.927 3.392 . 0 0 "[ . 1 .]" 1
13 1 102 ALA MB 1 105 ASN QB 4.170 . 6.343 4.379 4.121 4.583 . 0 0 "[ . 1 .]" 1
14 1 104 GLU HG2 1 111 PHE QR 3.179 . 4.442 1.959 1.839 2.281 0.077 3 0 "[ . 1 .]" 1
15 1 100 LEU HA 1 100 LEU QB 2.555 . 3.371 2.427 2.370 2.492 . 0 0 "[ . 1 .]" 1
16 1 100 LEU HB3 1 100 LEU MD1 2.467 . 3.228 2.031 1.932 2.058 . 0 0 "[ . 1 .]" 1
17 1 98 ARG HA 1 98 ARG QD 3.223 . 4.521 3.717 2.069 4.251 . 0 0 "[ . 1 .]" 1
18 1 97 PRO HA 1 100 LEU QB 3.487 . 5.007 2.654 2.187 2.916 . 0 0 "[ . 1 .]" 1
19 1 96 LEU HA 1 96 LEU HB3 4.284 . 6.579 2.392 2.386 2.397 . 0 0 "[ . 1 .]" 1
20 1 92 TYR HA 1 92 TYR QB 4.044 . 6.088 2.375 2.341 2.412 . 0 0 "[ . 1 .]" 1
21 1 91 ARG HA 1 91 ARG QG 3.634 . 5.285 2.866 2.290 3.138 . 0 0 "[ . 1 .]" 1
22 1 90 GLU HA 1 90 GLU QB 3.033 . 4.183 2.404 2.360 2.524 . 0 0 "[ . 1 .]" 1
23 1 87 ALA HA 1 90 GLU QG 3.800 . 5.605 3.293 2.827 4.640 . 0 0 "[ . 1 .]" 1
24 1 90 GLU HA 1 90 GLU QG 3.487 . 5.007 2.819 2.424 3.031 . 0 0 "[ . 1 .]" 1
25 1 89 PHE HB2 1 90 GLU QG 5.251 . 8.698 5.334 4.941 7.109 . 0 0 "[ . 1 .]" 1
26 1 89 PHE HB3 1 90 GLU QG 3.699 . 5.409 3.753 3.317 5.740 0.331 11 0 "[ . 1 .]" 1
27 1 89 PHE HA 1 89 PHE HB3 3.313 . 4.685 2.509 2.390 2.662 . 0 0 "[ . 1 .]" 1
28 1 89 PHE QD 1 90 GLU QG 5.104 . 8.360 3.826 3.145 5.312 . 0 0 "[ . 1 .]" 1
29 1 88 ARG HA 1 88 ARG QB 2.454 . 3.207 2.345 2.280 2.404 . 0 0 "[ . 1 .]" 1
30 1 88 ARG HA 1 88 ARG QD 3.310 . 4.679 3.100 2.015 4.228 . 0 0 "[ . 1 .]" 1
31 1 83 ALA HA 1 83 ALA MB 2.002 . 2.503 1.896 1.894 1.899 . 0 0 "[ . 1 .]" 1
32 1 83 ALA MB 1 84 ASP HB2 4.214 . 6.433 4.074 3.321 4.481 . 0 0 "[ . 1 .]" 1
33 1 83 ALA MB 1 84 ASP HB3 5.452 . 9.168 3.900 3.475 4.370 . 0 0 "[ . 1 .]" 1
34 1 82 GLU HA 1 82 GLU HB3 2.622 . 3.481 2.499 2.398 2.843 . 0 0 "[ . 1 .]" 1
35 1 80 LEU HB2 1 80 LEU MD1 2.941 . 4.022 1.981 1.973 1.988 . 0 0 "[ . 1 .]" 1
36 1 80 LEU HB2 1 80 LEU MD2 2.428 . 3.165 2.102 2.100 2.104 . 0 0 "[ . 1 .]" 1
37 1 79 ARG HA 1 79 ARG QG 3.081 . 4.267 2.638 2.281 3.039 . 0 0 "[ . 1 .]" 1
38 1 13 PHE QR 1 77 ILE MD 4.364 . 6.744 3.265 2.907 3.741 . 0 0 "[ . 1 .]" 1
39 1 76 GLU HA 1 76 GLU QG 2.893 . 3.939 2.804 2.326 3.086 . 0 0 "[ . 1 .]" 1
40 1 70 LEU MD2 1 103 TRP HE3 4.958 . 8.031 3.260 3.039 3.514 . 0 0 "[ . 1 .]" 1
41 1 68 LEU QB 1 68 LEU MD2 2.392 . 3.107 2.088 2.079 2.095 . 0 0 "[ . 1 .]" 1
42 1 52 VAL QG 1 67 ASN HA 2.799 . 3.778 2.858 2.628 3.128 . 0 0 "[ . 1 .]" 1
43 1 66 LEU HA 1 66 LEU HB2 2.301 . 2.963 2.263 2.206 2.345 . 0 0 "[ . 1 .]" 1
44 1 66 LEU HB2 1 66 LEU QD 2.599 . 3.443 2.156 2.122 2.210 . 0 0 "[ . 1 .]" 1
45 1 89 PHE QR 1 93 LEU HG 3.224 . 4.523 3.416 3.200 3.633 . 0 0 "[ . 1 .]" 1
46 1 65 PRO HA 1 65 PRO QB 2.148 . 2.725 2.194 2.181 2.218 . 0 0 "[ . 1 .]" 1
47 1 60 ARG HB2 1 60 ARG QD 3.692 . 5.396 2.873 2.395 3.507 . 0 0 "[ . 1 .]" 1
48 1 60 ARG HB3 1 60 ARG QD 3.022 . 4.164 2.893 2.356 3.525 . 0 0 "[ . 1 .]" 1
49 1 60 ARG HA 1 60 ARG QG 3.202 . 4.484 2.860 2.435 3.361 . 0 0 "[ . 1 .]" 1
50 1 59 VAL HA 1 59 VAL QG 1.594 . 6.000 2.155 2.103 2.295 . 0 0 "[ . 1 .]" 1
51 1 59 VAL HB 1 59 VAL QG 2.189 . 2.788 1.897 1.894 1.899 . 0 0 "[ . 1 .]" 1
52 1 58 HIS HA 1 58 HIS QB 2.049 . 2.574 2.312 2.177 2.444 . 0 0 "[ . 1 .]" 1
53 1 57 GLU HA 1 57 GLU QG 3.276 . 4.617 2.750 2.360 3.339 . 0 0 "[ . 1 .]" 1
54 1 55 HIS HA 1 55 HIS QB 2.400 . 3.120 2.338 2.176 2.494 . 0 0 "[ . 1 .]" 1
55 1 54 PRO HA 1 54 PRO QD 4.557 . 7.153 3.477 3.419 3.537 . 0 0 "[ . 1 .]" 1
56 1 54 PRO HB3 1 54 PRO QD 4.556 . 7.151 3.264 2.960 3.536 . 0 0 "[ . 1 .]" 1
57 1 46 PRO HB3 1 46 PRO HG3 2.083 . 2.626 2.055 2.036 2.069 . 0 0 "[ . 1 .]" 1
58 1 53 ALA HA 1 54 PRO QD 2.370 . 3.072 1.989 1.859 2.153 . 0 0 "[ . 1 .]" 1
59 1 52 VAL HA 1 52 VAL QG 2.847 . 3.860 2.157 2.152 2.165 . 0 0 "[ . 1 .]" 1
60 1 51 ILE HB 1 51 ILE MD 2.031 . 2.547 1.997 1.988 2.010 . 0 0 "[ . 1 .]" 1
61 1 51 ILE MD 1 51 ILE HG12 2.027 . 2.541 1.973 1.958 1.980 . 0 0 "[ . 1 .]" 1
62 1 50 ARG HA 1 50 ARG QB 3.840 . 5.683 2.176 2.163 2.184 . 0 0 "[ . 1 .]" 1
63 1 50 ARG HA 1 50 ARG QG 3.439 . 4.918 3.346 3.334 3.357 . 0 0 "[ . 1 .]" 1
64 1 37 VAL QG 1 49 VAL HB 2.810 . 3.797 3.051 2.374 3.553 . 0 0 "[ . 1 .]" 1
65 1 48 GLN HA 1 48 GLN QG 4.858 . 7.808 3.349 3.332 3.359 . 0 0 "[ . 1 .]" 1
66 1 48 GLN HA 1 48 GLN QB 2.292 . 2.949 2.185 2.179 2.189 . 0 0 "[ . 1 .]" 1
67 1 48 GLN QB 1 48 GLN HG2 3.370 . 4.790 2.126 2.121 2.129 . 0 0 "[ . 1 .]" 1
68 1 13 PHE QR 1 47 THR HB 3.626 . 5.269 2.518 1.921 3.696 0.062 15 0 "[ . 1 .]" 1
69 1 13 PHE QR 1 47 THR MG 3.011 . 4.145 2.142 1.879 2.581 . 0 0 "[ . 1 .]" 1
70 1 40 TYR HA 1 40 TYR QE 5.561 . 9.427 4.487 4.304 4.576 . 0 0 "[ . 1 .]" 1
71 1 37 VAL HA 1 37 VAL QG 2.544 . 3.353 2.134 2.126 2.145 . 0 0 "[ . 1 .]" 1
72 1 36 ASP HA 1 36 ASP QB 2.585 . 3.420 2.372 2.336 2.414 . 0 0 "[ . 1 .]" 1
73 1 34 HIS HA 1 34 HIS QB 2.609 . 3.460 2.373 2.330 2.420 . 0 0 "[ . 1 .]" 1
74 1 33 ALA HA 1 54 PRO QD 3.144 . 4.379 3.009 2.463 3.953 . 0 0 "[ . 1 .]" 1
75 1 32 ARG QD 1 32 ARG HG3 1.966 . 2.449 2.322 2.165 2.393 . 0 0 "[ . 1 .]" 1
76 1 28 LEU HB2 1 28 LEU MD2 2.126 . 2.691 2.021 1.988 2.104 . 0 0 "[ . 1 .]" 1
77 1 25 ILE HA 1 25 ILE HB 3.101 . 4.303 2.754 2.550 2.870 . 0 0 "[ . 1 .]" 1
78 1 25 ILE HA 1 25 ILE QG 3.847 . 5.696 2.488 2.362 2.908 . 0 0 "[ . 1 .]" 1
79 1 25 ILE HB 1 25 ILE QG 4.102 . 6.206 2.329 2.190 2.369 . 0 0 "[ . 1 .]" 1
80 1 5 MET QB 1 5 MET HG2 2.106 . 2.660 1.951 1.892 2.035 . 0 0 "[ . 1 .]" 1
81 1 25 ILE QG 1 25 ILE MG 2.819 . 3.812 2.336 2.302 2.358 . 0 0 "[ . 1 .]" 1
82 1 25 ILE MD 1 25 ILE QG 1.868 . 2.304 1.888 1.887 1.889 . 0 0 "[ . 1 .]" 1
83 1 19 PRO HA 1 22 ALA MB 2.559 . 3.378 2.345 2.122 2.546 . 0 0 "[ . 1 .]" 1
84 1 21 ILE HA 1 21 ILE QG 2.270 . 2.914 2.463 2.428 2.510 . 0 0 "[ . 1 .]" 1
85 1 21 ILE HB 1 21 ILE QG 3.490 . 5.012 2.387 2.378 2.395 . 0 0 "[ . 1 .]" 1
86 1 13 PHE QR 1 18 ALA MB 3.110 . 4.319 2.692 2.433 2.850 . 0 0 "[ . 1 .]" 1
87 1 16 GLU HA 1 16 GLU HB3 3.300 . 4.661 2.865 2.734 2.911 . 0 0 "[ . 1 .]" 1
88 1 12 ARG HB2 1 12 ARG HG2 1.859 . 2.291 2.255 2.142 2.293 0.002 13 0 "[ . 1 .]" 1
89 1 12 ARG HB2 1 12 ARG QD 3.255 . 4.580 2.669 2.327 3.410 . 0 0 "[ . 1 .]" 1
90 1 11 ARG HA 1 11 ARG QD 3.990 . 5.980 4.077 3.944 4.261 . 0 0 "[ . 1 .]" 1
91 1 11 ARG HA 1 11 ARG QG 2.590 . 3.428 2.463 2.351 2.536 . 0 0 "[ . 1 .]" 1
92 1 11 ARG QD 1 11 ARG QG 2.280 . 2.930 2.054 1.992 2.092 . 0 0 "[ . 1 .]" 1
93 1 6 SER HA 1 6 SER HB2 2.197 . 2.800 2.371 2.133 2.972 0.172 15 0 "[ . 1 .]" 1
94 1 7 PRO HB2 1 7 PRO QD 2.927 . 3.998 3.409 2.870 3.550 . 0 0 "[ . 1 .]" 1
95 1 7 PRO HB3 1 7 PRO QD 4.334 . 6.682 3.066 2.840 3.530 . 0 0 "[ . 1 .]" 1
96 1 7 PRO HA 1 7 PRO QD 3.265 . 4.597 3.392 3.278 3.531 . 0 0 "[ . 1 .]" 1
97 1 6 SER HA 1 7 PRO QD 2.564 . 3.386 2.319 1.905 3.593 0.207 15 0 "[ . 1 .]" 1
98 1 5 MET HA 1 5 MET QB 2.394 . 3.111 2.267 2.172 2.401 . 0 0 "[ . 1 .]" 1
99 1 5 MET QB 1 5 MET HG2 2.624 . 3.485 2.326 2.151 2.369 . 0 0 "[ . 1 .]" 1
100 1 5 MET HA 1 5 MET QG 3.506 . 5.042 3.003 2.427 3.518 . 0 0 "[ . 1 .]" 1
101 1 3 MET HA 1 3 MET QB 3.384 . 4.815 2.322 2.184 2.445 . 0 0 "[ . 1 .]" 1
102 1 3 MET HB2 1 3 MET QG 3.028 . 4.174 2.270 2.162 2.376 . 0 0 "[ . 1 .]" 1
103 1 120 LEU HB2 1 120 LEU MD1 2.552 . 3.366 2.304 2.263 2.332 . 0 0 "[ . 1 .]" 1
104 1 116 GLN HA 1 116 GLN QG 4.188 . 6.380 3.349 3.341 3.355 . 0 0 "[ . 1 .]" 1
105 1 38 VAL HB 1 48 GLN QG 2.329 . 3.007 2.044 1.828 2.196 . 0 0 "[ . 1 .]" 1
106 1 81 MET QB 1 82 GLU HA 3.731 . 5.471 4.100 3.989 4.237 . 0 0 "[ . 1 .]" 1
107 1 109 VAL MG2 1 111 PHE QR 3.200 . 4.480 4.003 3.482 4.571 0.091 9 0 "[ . 1 .]" 1
108 1 38 VAL MG2 1 48 GLN QB 3.529 . 5.086 4.242 4.034 4.555 . 0 0 "[ . 1 .]" 1
109 1 38 VAL MG1 1 48 GLN QB 3.835 . 5.674 4.517 4.259 4.762 . 0 0 "[ . 1 .]" 1
110 1 8 ASP HA 1 11 ARG QD 4.520 . 7.074 3.717 3.296 3.963 . 0 0 "[ . 1 .]" 1
111 1 9 THR HA 1 12 ARG QD 4.163 . 6.329 3.852 3.155 4.548 . 0 0 "[ . 1 .]" 1
112 1 50 ARG QB 1 69 ALA MB 4.161 . 6.325 3.276 2.708 3.849 . 0 0 "[ . 1 .]" 1
113 1 109 VAL MG2 1 116 GLN QG 4.005 . 6.010 4.184 3.900 4.460 . 0 0 "[ . 1 .]" 1
114 1 32 ARG HB3 1 114 ARG QD 3.691 . 5.394 3.011 1.954 4.443 0.034 12 0 "[ . 1 .]" 1
115 1 53 ALA MB 1 54 PRO QD 3.834 . 5.672 3.290 3.098 3.490 . 0 0 "[ . 1 .]" 1
116 1 48 GLN H 1 48 GLN QB 2.936 . 4.014 3.263 3.122 3.336 . 0 0 "[ . 1 .]" 1
117 1 70 LEU H 1 70 LEU HB3 3.264 . 4.596 3.270 3.221 3.461 . 0 0 "[ . 1 .]" 1
118 1 113 SER HB2 1 115 THR H 2.769 . 3.728 2.675 2.471 2.900 . 0 0 "[ . 1 .]" 1
119 1 4 GLY QA 1 5 MET H 2.477 . 3.244 2.580 2.146 2.933 . 0 0 "[ . 1 .]" 1
120 1 5 MET H 1 5 MET QB 2.972 . 4.076 2.820 2.493 3.321 . 0 0 "[ . 1 .]" 1
121 1 100 LEU H 1 100 LEU QB 2.145 . 2.720 2.184 2.145 2.213 . 0 0 "[ . 1 .]" 1
122 1 13 PHE HA 1 16 GLU H 2.809 . 3.795 2.821 2.772 2.847 . 0 0 "[ . 1 .]" 1
123 1 50 ARG QB 1 50 ARG HE 3.905 . 5.811 3.424 1.847 3.941 0.152 15 0 "[ . 1 .]" 1
124 1 50 ARG HE 1 50 ARG QG 3.458 . 4.953 2.378 2.243 3.136 . 0 0 "[ . 1 .]" 1
125 1 20 ARG H 1 20 ARG QB 2.678 . 3.574 2.318 2.246 2.506 . 0 0 "[ . 1 .]" 1
126 1 20 ARG H 1 20 ARG QG 3.078 . 4.263 3.344 2.227 4.061 . 0 0 "[ . 1 .]" 1
127 1 21 ILE H 1 21 ILE HA 2.371 . 3.074 2.507 2.497 2.512 . 0 0 "[ . 1 .]" 1
128 1 21 ILE H 1 21 ILE MD 3.031 . 4.179 3.044 2.995 3.096 . 0 0 "[ . 1 .]" 1
129 1 27 ASP H 1 27 ASP QB 2.113 . 2.671 2.244 2.203 2.274 . 0 0 "[ . 1 .]" 1
130 1 32 ARG H 1 32 ARG QD 4.518 . 7.069 3.946 3.297 4.488 . 0 0 "[ . 1 .]" 1
131 1 29 LEU QB 1 33 ALA H 2.679 . 3.576 2.891 2.727 3.299 . 0 0 "[ . 1 .]" 1
132 1 34 HIS H 1 34 HIS QB 2.561 . 3.381 2.382 2.310 2.423 . 0 0 "[ . 1 .]" 1
133 1 36 ASP H 1 36 ASP QB 3.122 . 4.340 2.625 2.545 2.706 . 0 0 "[ . 1 .]" 1
134 1 38 VAL HA 1 39 GLY H 2.119 . 2.680 2.107 2.077 2.175 . 0 0 "[ . 1 .]" 1
135 1 88 ARG QB 1 89 PHE H 2.531 . 3.332 2.656 2.487 2.793 . 0 0 "[ . 1 .]" 1
136 1 51 ILE H 1 51 ILE HG12 3.181 . 4.446 3.347 3.289 3.387 . 0 0 "[ . 1 .]" 1
137 1 34 HIS HD2 1 52 VAL H 3.501 . 5.033 3.421 2.862 3.789 . 0 0 "[ . 1 .]" 1
138 1 55 HIS H 1 55 HIS QB 2.860 . 3.882 2.821 2.425 3.436 . 0 0 "[ . 1 .]" 1
139 1 54 PRO HA 1 55 HIS H 2.685 . 3.586 2.256 1.991 2.740 . 0 0 "[ . 1 .]" 1
140 1 55 HIS QB 1 56 ALA H 4.235 . 6.477 3.831 3.210 4.062 . 0 0 "[ . 1 .]" 1
141 1 57 GLU H 1 57 GLU QG 3.565 . 5.154 3.428 1.888 4.126 0.088 15 0 "[ . 1 .]" 1
142 1 58 HIS H 1 58 HIS QB 3.371 . 4.792 2.762 2.365 3.248 . 0 0 "[ . 1 .]" 1
143 1 59 VAL H 1 59 VAL QG 2.672 . 3.565 2.388 1.870 2.838 . 0 0 "[ . 1 .]" 1
144 1 58 HIS QB 1 59 VAL H 4.906 . 7.915 3.907 2.898 4.059 . 0 0 "[ . 1 .]" 1
145 1 60 ARG H 1 60 ARG QD 4.992 . 8.107 4.295 2.924 4.940 . 0 0 "[ . 1 .]" 1
146 1 60 ARG H 1 60 ARG QB 2.806 . 3.790 2.756 2.261 3.385 . 0 0 "[ . 1 .]" 1
147 1 60 ARG H 1 60 ARG QG 3.270 . 4.607 3.164 1.949 4.397 . 0 0 "[ . 1 .]" 1
148 1 59 VAL QG 1 60 ARG H 3.306 . 4.672 3.245 2.474 3.755 . 0 0 "[ . 1 .]" 1
149 1 60 ARG QG 1 61 GLY H 4.543 . 7.123 4.086 3.476 4.797 . 0 0 "[ . 1 .]" 1
150 1 65 PRO QB 1 66 LEU H 3.377 . 4.803 3.067 2.861 3.366 . 0 0 "[ . 1 .]" 1
151 1 68 LEU H 1 68 LEU QB 2.588 . 3.425 2.387 2.301 2.719 . 0 0 "[ . 1 .]" 1
152 1 52 VAL MG2 1 68 LEU H 3.099 . 4.300 3.619 3.362 3.824 . 0 0 "[ . 1 .]" 1
153 1 75 ASP H 1 75 ASP QB 2.542 . 3.350 2.398 2.256 2.499 . 0 0 "[ . 1 .]" 1
154 1 76 GLU QG 1 77 ILE H 3.825 . 5.654 4.051 3.724 4.504 . 0 0 "[ . 1 .]" 1
155 1 77 ILE H 1 77 ILE MD 3.460 . 4.957 3.280 3.253 3.317 . 0 0 "[ . 1 .]" 1
156 1 78 GLU H 1 78 GLU QB 2.337 . 3.020 2.234 2.193 2.427 . 0 0 "[ . 1 .]" 1
157 1 79 ARG H 1 79 ARG QB 2.222 . 2.839 2.212 2.080 2.332 . 0 0 "[ . 1 .]" 1
158 1 79 ARG H 1 79 ARG QG 3.695 . 5.401 3.801 2.386 4.061 . 0 0 "[ . 1 .]" 1
159 1 78 GLU HA 1 81 MET H 3.189 . 4.460 3.189 3.056 3.282 . 0 0 "[ . 1 .]" 1
160 1 82 GLU H 1 82 GLU HA 2.771 . 3.731 2.897 2.873 2.929 . 0 0 "[ . 1 .]" 1
161 1 82 GLU H 1 82 GLU HB3 2.820 . 3.814 3.187 2.458 3.421 . 0 0 "[ . 1 .]" 1
162 1 88 ARG H 1 88 ARG QD 4.482 . 6.993 4.346 3.658 4.759 . 0 0 "[ . 1 .]" 1
163 1 88 ARG H 1 88 ARG QB 2.302 . 2.964 2.299 2.199 2.463 . 0 0 "[ . 1 .]" 1
164 1 90 GLU H 1 90 GLU QG 2.786 . 3.756 2.526 2.159 3.953 0.197 11 0 "[ . 1 .]" 1
165 1 91 ARG H 1 91 ARG QD 4.316 . 6.644 4.360 4.069 4.810 . 0 0 "[ . 1 .]" 1
166 1 90 GLU QB 1 91 ARG H 2.581 . 3.414 2.565 2.423 2.772 . 0 0 "[ . 1 .]" 1
167 1 91 ARG H 1 91 ARG QG 4.149 . 6.301 3.998 3.921 4.069 . 0 0 "[ . 1 .]" 1
168 1 92 TYR H 1 92 TYR QB 2.374 . 3.079 2.266 2.252 2.284 . 0 0 "[ . 1 .]" 1
169 1 93 LEU H 1 93 LEU QD 2.983 . 4.095 3.027 2.988 3.106 . 0 0 "[ . 1 .]" 1
170 1 94 ALA H 1 94 ALA MB 2.078 . 2.618 2.030 2.015 2.047 . 0 0 "[ . 1 .]" 1
171 1 96 LEU H 1 96 LEU HB3 2.341 . 3.026 2.365 2.281 2.449 . 0 0 "[ . 1 .]" 1
172 1 98 ARG H 1 98 ARG QD 4.716 . 7.497 4.300 3.417 4.829 . 0 0 "[ . 1 .]" 1
173 1 97 PRO QB 1 98 ARG H 3.503 . 5.037 3.133 2.899 3.279 . 0 0 "[ . 1 .]" 1
174 1 98 ARG H 1 98 ARG QB 2.257 . 2.894 2.332 2.247 2.494 . 0 0 "[ . 1 .]" 1
175 1 102 ALA HA 1 105 ASN H 3.209 . 4.496 3.214 3.153 3.275 . 0 0 "[ . 1 .]" 1
176 1 105 ASN H 1 105 ASN QB 2.510 . 3.297 2.267 2.229 2.444 . 0 0 "[ . 1 .]" 1
177 1 64 HIS H 1 116 GLN H 3.631 . 5.279 3.630 3.432 3.904 . 0 0 "[ . 1 .]" 1
178 1 107 ARG QG 1 108 GLY H 4.219 . 6.444 4.481 4.363 4.570 . 0 0 "[ . 1 .]" 1
179 1 104 GLU HA 1 109 VAL H 2.568 . 3.393 2.409 2.269 2.513 . 0 0 "[ . 1 .]" 1
180 1 112 GLY H 1 112 GLY QA 2.412 . 3.139 2.223 2.206 2.240 . 0 0 "[ . 1 .]" 1
181 1 114 ARG H 1 114 ARG QD 4.897 . 7.895 4.751 4.519 4.903 . 0 0 "[ . 1 .]" 1
182 1 114 ARG H 1 114 ARG HB3 2.905 . 3.960 3.437 3.265 3.626 . 0 0 "[ . 1 .]" 1
183 1 114 ARG HB2 1 115 THR H 3.951 . 5.902 3.888 3.684 4.057 . 0 0 "[ . 1 .]" 1
184 1 116 GLN H 1 116 GLN QG 2.798 . 3.777 2.399 2.292 2.508 . 0 0 "[ . 1 .]" 1
185 1 116 GLN QG 1 117 ALA H 3.548 . 5.121 3.825 3.568 4.001 . 0 0 "[ . 1 .]" 1
186 1 122 LEU H 1 122 LEU QD 3.162 . 4.412 3.171 3.125 3.212 . 0 0 "[ . 1 .]" 1
187 1 126 LEU H 1 126 LEU HB3 3.275 . 4.616 2.347 2.261 2.464 . 0 0 "[ . 1 .]" 1
188 1 127 ASP HB2 1 128 PHE H 3.329 . 4.714 2.384 2.292 2.442 . 0 0 "[ . 1 .]" 1
189 1 48 GLN HE21 1 48 GLN QG 3.137 . 4.367 2.233 2.134 2.811 . 0 0 "[ . 1 .]" 1
190 1 116 GLN HE21 1 116 GLN QG 3.001 . 4.126 2.332 2.159 2.795 . 0 0 "[ . 1 .]" 1
191 1 116 GLN HE22 1 116 GLN QG 3.483 . 5.000 3.288 3.216 3.481 . 0 0 "[ . 1 .]" 1
192 1 105 ASN QB 1 105 ASN HD21 3.124 . 4.344 2.622 2.215 2.811 . 0 0 "[ . 1 .]" 1
193 1 24 ALA H 1 25 ILE H 2.032 . 2.548 2.385 2.338 2.410 . 0 0 "[ . 1 .]" 1
194 1 20 ARG HB2 1 21 ILE H 2.319 . 2.991 2.485 2.252 2.717 . 0 0 "[ . 1 .]" 1
195 1 24 ALA H 1 24 ALA MB 1.898 . 2.348 1.991 1.986 1.996 . 0 0 "[ . 1 .]" 1
196 1 44 GLY HA3 1 45 HIS H 3.286 . 4.635 2.703 2.034 2.814 . 0 0 "[ . 1 .]" 1
197 1 48 GLN QB 1 48 GLN HE21 3.578 . 5.178 3.249 1.874 3.758 0.104 10 0 "[ . 1 .]" 1
198 1 48 GLN QB 1 48 GLN HE22 4.163 . 6.329 3.829 3.213 4.071 . 0 0 "[ . 1 .]" 1
199 1 98 ARG QG 1 99 LYS H 4.131 . 6.264 3.872 3.646 4.234 . 0 0 "[ . 1 .]" 1
200 1 12 ARG H 1 12 ARG QD 4.314 . 6.640 4.346 3.926 4.835 . 0 0 "[ . 1 .]" 1
201 1 36 ASP H 1 50 ARG QG 3.314 . 4.687 2.854 2.560 3.259 . 0 0 "[ . 1 .]" 1
202 1 114 ARG H 1 114 ARG HB2 3.854 . 5.710 2.784 2.705 2.877 . 0 0 "[ . 1 .]" 1
203 1 118 ASP H 1 118 ASP HB3 3.498 . 5.027 2.793 2.646 3.358 . 0 0 "[ . 1 .]" 1
204 1 98 ARG QB 1 99 LYS H 3.121 . 4.338 2.635 2.491 2.748 . 0 0 "[ . 1 .]" 1
205 1 34 HIS H 1 54 PRO QD 3.457 . 4.950 2.853 2.278 3.515 . 0 0 "[ . 1 .]" 1
206 1 13 PHE QD 1 17 PHE QD 3.835 . 5.673 3.200 2.966 3.313 . 0 0 "[ . 1 .]" 1
207 1 23 ARG HA 1 23 ARG QD 4.142 . 6.287 3.806 2.023 4.277 . 0 0 "[ . 1 .]" 1
208 1 70 LEU MD2 1 103 TRP HZ2 3.450 . 4.938 3.519 3.115 3.899 . 0 0 "[ . 1 .]" 1
209 1 21 ILE QG 1 89 PHE HZ 3.540 . 5.106 2.337 1.992 2.857 . 0 0 "[ . 1 .]" 1
210 1 36 ASP HB2 1 50 ARG QG 3.084 . 4.273 3.239 1.933 4.133 . 0 0 "[ . 1 .]" 1
211 1 127 ASP HB2 1 129 GLU QG 3.862 . 5.726 4.039 2.725 5.188 . 0 0 "[ . 1 .]" 1
212 1 58 HIS QB 1 58 HIS HD2 3.109 . 4.317 2.807 2.716 2.969 . 0 0 "[ . 1 .]" 1
213 1 27 ASP HA 1 28 LEU H 2.246 . 2.876 2.722 2.707 2.744 . 0 0 "[ . 1 .]" 1
214 1 47 THR MG 1 48 GLN H 2.472 . 3.236 2.193 2.114 2.278 . 0 0 "[ . 1 .]" 1
215 1 50 ARG QB 1 69 ALA HA 2.985 . 4.099 3.100 2.624 3.701 . 0 0 "[ . 1 .]" 1
216 1 130 ALA HA 1 130 ALA MB 1.925 . 2.388 2.128 2.125 2.131 . 0 0 "[ . 1 .]" 1
217 1 92 TYR QE 1 128 PHE HA 4.671 . 7.398 3.387 2.719 3.961 . 0 0 "[ . 1 .]" 1
218 1 128 PHE HA 1 128 PHE HB2 2.569 . 3.394 3.013 2.991 3.028 . 0 0 "[ . 1 .]" 1
219 1 89 PHE QD 1 128 PHE QE 2.948 . 4.034 2.629 2.194 3.036 . 0 0 "[ . 1 .]" 1
220 1 77 ILE HA 1 128 PHE QE 4.912 . 7.928 3.947 3.443 4.293 . 0 0 "[ . 1 .]" 1
221 1 80 LEU HG 1 128 PHE QE 4.610 . 7.266 4.224 3.678 4.717 . 0 0 "[ . 1 .]" 1
222 1 126 LEU HA 1 126 LEU HB2 2.737 . 3.673 2.977 2.957 2.996 . 0 0 "[ . 1 .]" 1
223 1 126 LEU HB3 1 126 LEU QD 3.605 . 5.230 2.253 2.211 2.290 . 0 0 "[ . 1 .]" 1
224 1 126 LEU HA 1 126 LEU HB3 2.714 . 3.635 2.648 2.611 2.687 . 0 0 "[ . 1 .]" 1
225 1 126 LEU HB3 1 127 ASP HA 5.010 . 8.147 4.274 4.187 4.438 . 0 0 "[ . 1 .]" 1
226 1 126 LEU HB2 1 127 ASP HA 5.390 . 9.021 5.124 5.036 5.280 . 0 0 "[ . 1 .]" 1
227 1 126 LEU HA 1 126 LEU HG 2.516 . 3.307 2.460 2.394 2.498 . 0 0 "[ . 1 .]" 1
228 1 103 TRP HZ2 1 126 LEU HG 3.089 . 4.282 3.165 2.807 3.519 . 0 0 "[ . 1 .]" 1
229 1 70 LEU HA 1 126 LEU QD 4.040 . 6.081 3.110 2.903 3.418 . 0 0 "[ . 1 .]" 1
230 1 103 TRP HZ2 1 126 LEU QD 4.649 . 7.350 2.194 1.939 2.488 0.009 11 0 "[ . 1 .]" 1
231 1 72 TRP HA 1 126 LEU QD 5.308 . 8.830 3.818 3.676 3.966 . 0 0 "[ . 1 .]" 1
232 1 126 LEU HA 1 126 LEU QD 4.626 . 7.302 2.455 2.247 2.590 . 0 0 "[ . 1 .]" 1
233 1 123 LEU MD2 1 126 LEU QD 3.615 . 5.249 3.338 2.986 3.655 . 0 0 "[ . 1 .]" 1
234 1 126 LEU HB2 1 126 LEU QD 2.123 . 2.687 2.128 2.118 2.133 . 0 0 "[ . 1 .]" 1
235 1 123 LEU HB3 1 126 LEU QD 2.155 . 2.735 1.916 1.798 2.025 . 0 0 "[ . 1 .]" 1
236 1 126 LEU MD1 1 126 LEU MD2 2.668 . 3.558 2.087 2.085 2.091 . 0 0 "[ . 1 .]" 1
237 1 73 ASN HB2 1 125 GLY HA3 6.386 . 11.484 6.446 6.120 6.877 . 0 0 "[ . 1 .]" 1
238 1 72 TRP HA 1 125 GLY HA3 5.305 . 8.823 5.795 5.548 6.120 . 0 0 "[ . 1 .]" 1
239 1 73 ASN HB2 1 125 GLY HA2 4.105 . 6.211 4.929 4.620 5.398 . 0 0 "[ . 1 .]" 1
240 1 73 ASN HB3 1 125 GLY HA2 5.667 . 9.681 5.014 4.802 5.242 . 0 0 "[ . 1 .]" 1
241 1 72 TRP HA 1 125 GLY HA2 5.077 . 8.299 4.619 4.397 5.017 . 0 0 "[ . 1 .]" 1
242 1 71 THR HB 1 124 GLY HA3 6.765 . 12.485 5.013 4.540 5.639 . 0 0 "[ . 1 .]" 1
243 1 121 VAL MG2 1 123 LEU HA 4.372 . 6.761 4.304 4.081 4.598 . 0 0 "[ . 1 .]" 1
244 1 123 LEU HA 1 123 LEU HB3 2.913 . 3.974 2.448 2.428 2.465 . 0 0 "[ . 1 .]" 1
245 1 123 LEU HA 1 123 LEU HG 3.321 . 4.700 3.224 3.173 3.266 . 0 0 "[ . 1 .]" 1
246 1 123 LEU HA 1 123 LEU MD2 2.703 . 3.616 2.077 2.053 2.110 . 0 0 "[ . 1 .]" 1
247 1 70 LEU MD2 1 123 LEU HB2 2.401 . 3.122 2.378 2.229 2.527 . 0 0 "[ . 1 .]" 1
248 1 123 LEU MD1 1 123 LEU MD2 1.984 . 2.476 2.078 2.072 2.083 . 0 0 "[ . 1 .]" 1
249 1 123 LEU HB3 1 123 LEU MD1 2.188 . 2.786 2.348 2.325 2.368 . 0 0 "[ . 1 .]" 1
250 1 123 LEU MD1 1 123 LEU HG 1.978 . 2.467 2.125 2.122 2.128 . 0 0 "[ . 1 .]" 1
251 1 123 LEU HB2 1 123 LEU MD1 2.154 . 2.734 2.349 2.328 2.382 . 0 0 "[ . 1 .]" 1
252 1 121 VAL MG2 1 123 LEU MD1 2.180 . 6.000 2.906 2.710 3.342 . 0 0 "[ . 1 .]" 1
253 1 103 TRP HB3 1 123 LEU MD1 3.968 . 5.936 2.990 2.793 3.290 . 0 0 "[ . 1 .]" 1
254 1 70 LEU HA 1 123 LEU MD1 4.518 . 7.070 3.949 3.734 4.299 . 0 0 "[ . 1 .]" 1
255 1 103 TRP HZ2 1 123 LEU MD1 3.547 . 5.120 3.916 3.584 4.328 . 0 0 "[ . 1 .]" 1
256 1 103 TRP HD1 1 123 LEU MD2 3.985 . 5.970 4.060 3.715 4.458 . 0 0 "[ . 1 .]" 1
257 1 107 ARG HG2 1 123 LEU MD2 2.565 . 3.388 3.567 3.127 3.834 0.446 1 0 "[ . 1 .]" 1
258 1 123 LEU HB2 1 123 LEU MD2 3.402 . 4.849 3.205 3.198 3.209 . 0 0 "[ . 1 .]" 1
259 1 123 LEU HB3 1 123 LEU MD2 2.324 . 2.999 2.414 2.398 2.447 . 0 0 "[ . 1 .]" 1
260 1 121 VAL MG2 1 123 LEU MD2 1.706 . 2.070 2.227 2.123 2.380 0.310 6 0 "[ . 1 .]" 1
261 1 122 LEU HB2 1 122 LEU MD1 2.916 . 3.979 2.357 2.328 2.373 . 0 0 "[ . 1 .]" 1
262 1 120 LEU MD2 1 122 LEU HG 2.573 . 3.400 2.780 2.676 2.921 . 0 0 "[ . 1 .]" 1
263 1 122 LEU HB2 1 122 LEU HG 2.292 . 2.949 2.449 2.438 2.469 . 0 0 "[ . 1 .]" 1
264 1 122 LEU HA 1 122 LEU HG 3.401 . 4.847 3.306 3.234 3.376 . 0 0 "[ . 1 .]" 1
265 1 121 VAL HA 1 121 VAL MG1 3.098 . 4.298 3.214 3.207 3.219 . 0 0 "[ . 1 .]" 1
266 1 121 VAL HA 1 121 VAL MG2 2.850 . 3.865 2.424 2.394 2.449 . 0 0 "[ . 1 .]" 1
267 1 121 VAL HB 1 121 VAL MG1 1.880 . 2.322 2.120 2.118 2.122 . 0 0 "[ . 1 .]" 1
268 1 121 VAL HB 1 121 VAL MG2 1.796 . 2.199 2.124 2.121 2.127 . 0 0 "[ . 1 .]" 1
269 1 118 ASP HB3 1 121 VAL MG1 4.558 . 7.154 4.089 3.585 5.026 . 0 0 "[ . 1 .]" 1
270 1 120 LEU HA 1 120 LEU HG 3.254 . 4.577 3.110 3.016 3.180 . 0 0 "[ . 1 .]" 1
271 1 120 LEU HB3 1 120 LEU HG 2.371 . 3.074 2.481 2.466 2.512 . 0 0 "[ . 1 .]" 1
272 1 120 LEU HA 1 120 LEU MD1 2.631 . 3.496 2.119 2.077 2.164 . 0 0 "[ . 1 .]" 1
273 1 120 LEU HA 1 120 LEU MD2 3.596 . 5.213 3.891 3.876 3.915 . 0 0 "[ . 1 .]" 1
274 1 64 HIS HB2 1 119 ALA HA 4.795 . 7.669 4.864 4.141 5.469 . 0 0 "[ . 1 .]" 1
275 1 64 HIS HB2 1 119 ALA MB 7.120 . 13.457 6.030 5.499 6.609 . 0 0 "[ . 1 .]" 1
276 1 64 HIS HE1 1 119 ALA MB 4.061 . 6.122 3.352 2.740 3.788 . 0 0 "[ . 1 .]" 1
277 1 118 ASP HB2 1 121 VAL MG1 4.079 . 6.159 4.793 3.464 5.408 . 0 0 "[ . 1 .]" 1
278 1 118 ASP HA 1 118 ASP HB3 2.887 . 3.929 2.953 2.588 3.019 . 0 0 "[ . 1 .]" 1
279 1 117 ALA HA 1 117 ALA MB 2.255 . 2.891 2.130 2.126 2.133 . 0 0 "[ . 1 .]" 1
280 1 116 GLN HB3 1 117 ALA HA 5.593 . 9.503 5.925 5.868 5.957 . 0 0 "[ . 1 .]" 1
281 1 115 THR HB 1 115 THR MG 2.346 . 3.034 2.134 2.130 2.138 . 0 0 "[ . 1 .]" 1
282 1 65 PRO HA 1 115 THR HB 4.534 . 7.104 4.885 4.454 5.449 . 0 0 "[ . 1 .]" 1
283 1 65 PRO HA 1 115 THR MG 3.322 . 4.702 3.136 2.718 3.991 . 0 0 "[ . 1 .]" 1
284 1 113 SER HA 1 113 SER HB3 2.743 . 3.684 2.700 2.388 3.033 . 0 0 "[ . 1 .]" 1
285 1 111 PHE HA 1 111 PHE HB3 2.993 . 4.113 2.540 2.509 2.608 . 0 0 "[ . 1 .]" 1
286 1 29 LEU MD2 1 111 PHE HB2 3.870 . 5.742 3.379 2.883 4.139 . 0 0 "[ . 1 .]" 1
287 1 111 PHE HA 1 111 PHE HB2 2.815 . 3.806 3.012 2.992 3.020 . 0 0 "[ . 1 .]" 1
288 1 68 LEU MD2 1 111 PHE HZ 2.355 . 3.048 2.242 2.099 2.614 . 0 0 "[ . 1 .]" 1
289 1 104 GLU HG3 1 110 ASP HA 4.132 . 6.266 5.006 4.633 5.449 . 0 0 "[ . 1 .]" 1
290 1 110 ASP HA 1 110 ASP HB3 2.904 . 3.958 3.026 3.019 3.031 . 0 0 "[ . 1 .]" 1
291 1 104 GLU HG2 1 110 ASP HA 5.665 . 9.676 3.510 2.978 3.903 . 0 0 "[ . 1 .]" 1
292 1 109 VAL HA 1 116 GLN HA 3.465 . 4.966 2.520 2.178 2.739 . 0 0 "[ . 1 .]" 1
293 1 109 VAL HA 1 109 VAL MG1 2.757 . 3.707 2.437 2.373 2.486 . 0 0 "[ . 1 .]" 1
294 1 104 GLU HG2 1 109 VAL HB 5.433 . 9.123 3.317 3.072 3.646 . 0 0 "[ . 1 .]" 1
295 1 109 VAL HB 1 109 VAL MG2 2.464 . 3.223 2.127 2.124 2.129 . 0 0 "[ . 1 .]" 1
296 1 109 VAL MG2 1 116 GLN HB3 2.953 . 4.043 2.906 2.755 3.023 . 0 0 "[ . 1 .]" 1
297 1 109 VAL HA 1 109 VAL MG2 2.639 . 3.510 2.406 2.364 2.456 . 0 0 "[ . 1 .]" 1
298 1 109 VAL MG1 1 116 GLN HA 4.944 . 8.000 3.635 2.905 4.043 . 0 0 "[ . 1 .]" 1
299 1 109 VAL MG1 1 116 GLN HB3 3.376 . 4.801 2.656 2.235 3.157 . 0 0 "[ . 1 .]" 1
300 1 109 VAL HB 1 109 VAL MG1 2.064 . 2.597 2.125 2.122 2.127 . 0 0 "[ . 1 .]" 1
301 1 109 VAL MG1 1 109 VAL MG2 1.890 . 2.336 2.078 2.074 2.081 . 0 0 "[ . 1 .]" 1
302 1 109 VAL MG2 1 116 GLN HA 4.880 . 7.857 3.740 3.124 4.134 . 0 0 "[ . 1 .]" 1
303 1 108 GLY HA3 1 117 ALA MB 4.370 . 6.757 2.898 2.206 3.237 . 0 0 "[ . 1 .]" 1
304 1 108 GLY HA2 1 117 ALA MB 3.733 . 5.475 3.840 3.467 4.247 . 0 0 "[ . 1 .]" 1
305 1 107 ARG HA 1 107 ARG HD2 4.357 . 6.729 2.130 2.082 2.191 . 0 0 "[ . 1 .]" 1
306 1 107 ARG HA 1 107 ARG HD3 2.652 . 3.531 3.686 3.599 3.740 0.209 10 0 "[ . 1 .]" 1
307 1 107 ARG HA 1 107 ARG HB3 2.574 . 3.402 2.464 2.418 2.507 . 0 0 "[ . 1 .]" 1
308 1 107 ARG HD3 1 121 VAL MG2 5.141 . 8.445 4.169 3.652 4.640 . 0 0 "[ . 1 .]" 1
309 1 107 ARG HB2 1 107 ARG HD3 3.434 . 4.908 4.245 4.240 4.249 . 0 0 "[ . 1 .]" 1
310 1 107 ARG HD2 1 123 LEU MD2 3.608 . 5.235 4.192 3.849 4.571 . 0 0 "[ . 1 .]" 1
311 1 103 TRP HD1 1 106 ALA MB 3.982 . 5.964 3.699 3.376 3.888 . 0 0 "[ . 1 .]" 1
312 1 104 GLU HA 1 104 GLU HB2 2.329 . 3.007 3.023 3.019 3.026 0.019 2 0 "[ . 1 .]" 1
313 1 104 GLU HA 1 109 VAL HB 2.958 . 4.052 2.222 1.894 2.599 . 0 0 "[ . 1 .]" 1
314 1 104 GLU HA 1 109 VAL MG2 5.548 . 9.395 3.626 3.383 3.954 . 0 0 "[ . 1 .]" 1
315 1 104 GLU HA 1 104 GLU HG3 4.506 . 7.044 3.240 3.148 3.336 . 0 0 "[ . 1 .]" 1
316 1 104 GLU HA 1 109 VAL MG1 4.736 . 7.539 3.576 3.235 3.772 . 0 0 "[ . 1 .]" 1
317 1 101 ALA HA 1 104 GLU HB3 3.099 . 4.299 4.368 4.158 4.655 0.356 9 0 "[ . 1 .]" 1
318 1 104 GLU HA 1 104 GLU HG2 4.780 . 7.637 2.495 2.453 2.548 . 0 0 "[ . 1 .]" 1
319 1 102 ALA MB 1 103 TRP HD1 4.716 . 7.496 3.942 3.665 4.116 . 0 0 "[ . 1 .]" 1
320 1 101 ALA HA 1 101 ALA MB 2.002 . 2.503 2.128 2.125 2.130 . 0 0 "[ . 1 .]" 1
321 1 101 ALA MB 1 102 ALA HA 2.737 . 6.000 3.833 3.788 3.866 . 0 0 "[ . 1 .]" 1
322 1 99 LYS HB3 1 100 LEU HA 2.930 . 4.003 4.310 3.883 4.492 0.489 7 0 "[ . 1 .]" 1
323 1 100 LEU HA 1 100 LEU HG 3.220 . 4.516 3.031 2.487 3.713 . 0 0 "[ . 1 .]" 1
324 1 100 LEU HA 1 100 LEU MD1 2.879 . 3.915 2.183 2.098 2.442 . 0 0 "[ . 1 .]" 1
325 1 100 LEU HA 1 103 TRP HZ3 6.034 . 10.585 3.453 3.272 3.957 . 0 0 "[ . 1 .]" 1
326 1 100 LEU HA 1 103 TRP HE3 2.932 . 4.007 2.211 2.118 2.487 . 0 0 "[ . 1 .]" 1
327 1 100 LEU MD1 1 100 LEU MD2 1.505 . 6.000 2.080 2.073 2.085 . 0 0 "[ . 1 .]" 1
328 1 100 LEU HA 1 100 LEU MD2 3.566 . 5.155 3.568 2.281 3.912 . 0 0 "[ . 1 .]" 1
329 1 99 LYS HA 1 102 ALA MB 2.266 . 2.908 2.533 2.349 2.708 . 0 0 "[ . 1 .]" 1
330 1 99 LYS HA 1 99 LYS HB3 2.655 . 3.536 2.599 2.474 3.000 . 0 0 "[ . 1 .]" 1
331 1 99 LYS HA 1 99 LYS HB2 2.960 . 4.056 2.967 2.622 3.026 . 0 0 "[ . 1 .]" 1
332 1 28 LEU MD2 1 97 PRO HA 4.054 . 6.108 3.012 1.982 4.763 0.018 13 0 "[ . 1 .]" 1
333 1 28 LEU MD2 1 97 PRO HB2 3.521 . 5.071 4.483 3.928 5.363 0.292 1 0 "[ . 1 .]" 1
334 1 96 LEU HA 1 96 LEU MD1 5.089 . 8.326 3.840 3.826 3.850 . 0 0 "[ . 1 .]" 1
335 1 96 LEU HB3 1 96 LEU MD2 3.423 . 4.888 2.320 2.304 2.348 . 0 0 "[ . 1 .]" 1
336 1 93 LEU HA 1 96 LEU HB2 3.895 . 5.791 3.897 3.488 4.275 . 0 0 "[ . 1 .]" 1
337 1 96 LEU HA 1 96 LEU HB2 2.612 . 3.465 3.005 2.996 3.015 . 0 0 "[ . 1 .]" 1
338 1 96 LEU HB2 1 96 LEU HG 2.724 . 3.651 2.493 2.461 2.510 . 0 0 "[ . 1 .]" 1
339 1 93 LEU HA 1 96 LEU HG 2.590 . 3.429 1.980 1.874 2.133 . 0 0 "[ . 1 .]" 1
340 1 96 LEU HA 1 96 LEU MD2 2.515 . 3.306 2.038 2.018 2.054 . 0 0 "[ . 1 .]" 1
341 1 21 ILE HA 1 96 LEU MD1 3.973 . 5.946 3.808 3.186 4.485 . 0 0 "[ . 1 .]" 1
342 1 96 LEU HB3 1 96 LEU MD1 1.801 . 2.206 2.415 2.373 2.434 0.228 13 0 "[ . 1 .]" 1
343 1 95 ALA HA 1 95 ALA MB 2.335 . 3.017 2.125 2.122 2.128 . 0 0 "[ . 1 .]" 1
344 1 92 TYR HA 1 95 ALA MB 2.782 . 3.750 2.538 2.315 2.814 . 0 0 "[ . 1 .]" 1
345 1 93 LEU HA 1 93 LEU HG 2.129 . 6.000 3.152 3.063 3.206 . 0 0 "[ . 1 .]" 1
346 1 93 LEU HB2 1 93 LEU HG 2.409 . 3.134 2.459 2.433 2.487 . 0 0 "[ . 1 .]" 1
347 1 93 LEU HA 1 93 LEU MD2 2.914 . 3.976 2.099 2.062 2.139 . 0 0 "[ . 1 .]" 1
348 1 92 TYR HA 1 92 TYR QE 5.279 . 8.763 4.581 4.513 4.670 . 0 0 "[ . 1 .]" 1
349 1 92 TYR HB3 1 92 TYR QD 4.376 . 6.770 2.310 2.289 2.354 . 0 0 "[ . 1 .]" 1
350 1 90 GLU HA 1 93 LEU HG 2.371 . 3.074 2.884 2.667 3.116 0.042 5 0 "[ . 1 .]" 1
351 1 87 ALA HA 1 90 GLU HB2 3.171 . 4.428 3.070 2.496 3.271 . 0 0 "[ . 1 .]" 1
352 1 89 PHE HA 1 89 PHE HB2 2.763 . 3.718 2.479 2.447 2.514 . 0 0 "[ . 1 .]" 1
353 1 80 LEU MD2 1 89 PHE HB3 3.983 . 5.966 3.784 3.187 4.383 . 0 0 "[ . 1 .]" 1
354 1 89 PHE QD 1 93 LEU HG 4.441 . 6.907 3.753 3.548 4.028 . 0 0 "[ . 1 .]" 1
355 1 88 ARG HA 1 91 ARG HB2 2.757 . 3.707 3.471 2.814 4.144 0.437 5 0 "[ . 1 .]" 1
356 1 86 ALA HA 1 89 PHE HB3 3.778 . 5.562 2.778 2.670 2.933 . 0 0 "[ . 1 .]" 1
357 1 86 ALA HA 1 89 PHE HB2 3.924 . 5.848 3.106 2.869 3.375 . 0 0 "[ . 1 .]" 1
358 1 86 ALA HA 1 89 PHE QD 4.679 . 7.415 4.301 4.131 4.546 . 0 0 "[ . 1 .]" 1
359 1 86 ALA MB 1 89 PHE HB2 3.967 . 5.934 4.584 4.313 4.826 . 0 0 "[ . 1 .]" 1
360 1 80 LEU MD2 1 85 GLY HA3 3.393 . 4.832 3.143 2.760 3.506 . 0 0 "[ . 1 .]" 1
361 1 80 LEU MD2 1 85 GLY HA2 4.221 . 6.448 3.168 2.744 3.709 . 0 0 "[ . 1 .]" 1
362 1 83 ALA HA 1 84 ASP HA 4.920 . 7.945 4.774 4.676 4.850 . 0 0 "[ . 1 .]" 1
363 1 83 ALA HA 1 83 ALA MB 2.315 . 2.985 2.128 2.124 2.134 . 0 0 "[ . 1 .]" 1
364 1 83 ALA MB 1 84 ASP HA 4.378 . 6.774 3.859 3.745 3.973 . 0 0 "[ . 1 .]" 1
365 1 82 GLU HB2 1 82 GLU HG3 2.233 . 2.856 2.443 2.365 3.003 0.147 14 0 "[ . 1 .]" 1
366 1 82 GLU HB2 1 82 GLU HG2 2.205 . 2.813 2.514 2.399 3.006 0.193 10 0 "[ . 1 .]" 1
367 1 82 GLU HA 1 82 GLU HG2 3.660 . 5.335 2.994 2.495 3.708 . 0 0 "[ . 1 .]" 1
368 1 82 GLU HA 1 82 GLU HG3 3.469 . 4.973 3.618 3.018 3.792 . 0 0 "[ . 1 .]" 1
369 1 78 GLU HA 1 81 MET HG2 3.201 . 4.482 3.894 2.337 4.882 0.400 6 0 "[ . 1 .]" 1
370 1 80 LEU HA 1 85 GLY HA2 2.974 . 4.080 3.328 2.799 4.271 0.191 3 0 "[ . 1 .]" 1
371 1 80 LEU HB2 1 80 LEU MD2 3.275 . 4.616 3.209 3.207 3.212 . 0 0 "[ . 1 .]" 1
372 1 80 LEU MD2 1 80 LEU HG 3.070 . 4.248 2.131 2.128 2.133 . 0 0 "[ . 1 .]" 1
373 1 77 ILE HA 1 80 LEU MD1 2.567 . 3.391 2.353 2.175 2.520 . 0 0 "[ . 1 .]" 1
374 1 80 LEU HB3 1 80 LEU MD2 2.920 . 3.985 2.423 2.376 2.456 . 0 0 "[ . 1 .]" 1
375 1 80 LEU MD2 1 88 ARG HB2 3.320 . 4.698 3.942 2.653 5.269 0.571 3 1 "[ + . 1 .]" 1
376 1 80 LEU MD2 1 89 PHE HA 3.930 . 5.860 3.652 3.355 4.017 . 0 0 "[ . 1 .]" 1
377 1 80 LEU MD2 1 128 PHE QE 4.141 . 6.284 3.708 3.317 4.069 . 0 0 "[ . 1 .]" 1
378 1 80 LEU MD2 1 128 PHE QD 3.277 . 4.620 3.343 3.069 3.696 . 0 0 "[ . 1 .]" 1
379 1 80 LEU MD2 1 89 PHE QD 3.939 . 5.878 3.271 2.532 3.776 . 0 0 "[ . 1 .]" 1
380 1 78 GLU HA 1 81 MET HG3 3.821 . 5.646 3.485 2.789 4.200 . 0 0 "[ . 1 .]" 1
381 1 78 GLU HA 1 78 GLU HG3 4.250 . 6.508 2.818 2.522 3.164 . 0 0 "[ . 1 .]" 1
382 1 9 THR MG 1 78 GLU HA 3.132 . 4.359 2.371 1.938 2.941 . 0 0 "[ . 1 .]" 1
383 1 77 ILE MG 1 78 GLU HA 4.665 . 7.386 3.497 3.372 3.677 . 0 0 "[ . 1 .]" 1
384 1 78 GLU HA 1 78 GLU HB3 2.926 . 3.996 2.992 2.489 3.033 . 0 0 "[ . 1 .]" 1
385 1 78 GLU HA 1 78 GLU HG2 2.797 . 3.775 3.408 2.578 3.846 0.071 2 0 "[ . 1 .]" 1
386 1 77 ILE HA 1 77 ILE HG13 4.121 . 6.243 3.102 3.076 3.132 . 0 0 "[ . 1 .]" 1
387 1 77 ILE HB 1 77 ILE MD 2.869 . 3.898 2.468 2.454 2.490 . 0 0 "[ . 1 .]" 1
388 1 77 ILE HG13 1 128 PHE HZ 4.918 . 7.942 5.475 4.739 6.282 . 0 0 "[ . 1 .]" 1
389 1 77 ILE HB 1 77 ILE MG 2.740 . 3.678 2.131 2.129 2.133 . 0 0 "[ . 1 .]" 1
390 1 13 PHE HB3 1 77 ILE MG 2.596 . 3.439 3.111 2.655 3.504 0.065 9 0 "[ . 1 .]" 1
391 1 10 ALA HA 1 77 ILE MG 4.064 . 6.128 3.386 2.749 3.829 . 0 0 "[ . 1 .]" 1
392 1 13 PHE QD 1 77 ILE MG 3.995 . 5.990 2.458 2.105 3.100 . 0 0 "[ . 1 .]" 1
393 1 77 ILE MD 1 77 ILE HG13 2.477 . 3.244 2.123 2.122 2.124 . 0 0 "[ . 1 .]" 1
394 1 72 TRP HB3 1 77 ILE MD 3.845 . 5.693 4.095 3.713 4.552 . 0 0 "[ . 1 .]" 1
395 1 74 THR HA 1 77 ILE HB 2.454 . 3.207 2.546 2.340 2.801 . 0 0 "[ . 1 .]" 1
396 1 74 THR HA 1 74 THR MG 2.965 . 4.064 2.393 2.270 3.214 . 0 0 "[ . 1 .]" 1
397 1 74 THR HA 1 77 ILE MD 3.292 . 4.647 2.096 1.961 2.391 . 0 0 "[ . 1 .]" 1
398 1 74 THR HB 1 74 THR MG 2.095 . 2.644 2.137 2.131 2.139 . 0 0 "[ . 1 .]" 1
399 1 74 THR MG 1 77 ILE MD 3.331 . 4.718 2.935 2.702 4.266 . 0 0 "[ . 1 .]" 1
400 1 73 ASN HA 1 73 ASN HB3 2.292 . 2.949 2.531 2.476 2.577 . 0 0 "[ . 1 .]" 1
401 1 72 TRP HB2 1 77 ILE MD 4.117 . 6.235 3.153 2.868 3.552 . 0 0 "[ . 1 .]" 1
402 1 72 TRP HA 1 72 TRP HD1 3.804 . 5.613 3.132 3.038 3.239 . 0 0 "[ . 1 .]" 1
403 1 72 TRP HZ2 1 126 LEU QD 5.221 . 8.628 3.480 3.153 3.759 . 0 0 "[ . 1 .]" 1
404 1 49 VAL MG1 1 72 TRP HH2 2.779 . 3.744 2.157 2.025 2.405 . 0 0 "[ . 1 .]" 1
405 1 71 THR HA 1 71 THR MG 3.312 . 4.684 2.468 2.293 3.221 . 0 0 "[ . 1 .]" 1
406 1 71 THR HA 1 72 TRP HE3 3.642 . 5.300 3.095 2.769 3.410 . 0 0 "[ . 1 .]" 1
407 1 71 THR HB 1 71 THR MG 2.392 . 3.107 2.133 2.126 2.136 . 0 0 "[ . 1 .]" 1
408 1 35 THR HA 1 35 THR MG 1.728 . 6.000 2.271 2.248 2.291 . 0 0 "[ . 1 .]" 1
409 1 70 LEU HB3 1 70 LEU MD2 4.091 . 6.183 2.298 2.274 2.336 . 0 0 "[ . 1 .]" 1
410 1 70 LEU HB3 1 126 LEU QD 3.329 . 4.715 2.971 2.617 3.399 . 0 0 "[ . 1 .]" 1
411 1 69 ALA HA 1 70 LEU HG 5.233 . 8.656 4.095 3.737 4.264 . 0 0 "[ . 1 .]" 1
412 1 70 LEU HA 1 70 LEU HG 4.264 . 6.536 3.010 2.930 3.080 . 0 0 "[ . 1 .]" 1
413 1 70 LEU MD2 1 123 LEU MD1 1.484 . 6.000 2.072 1.862 2.409 . 0 0 "[ . 1 .]" 1
414 1 70 LEU MD1 1 70 LEU MD2 1.511 . 6.000 2.070 2.065 2.073 . 0 0 "[ . 1 .]" 1
415 1 70 LEU MD2 1 123 LEU HG 2.282 . 6.000 3.458 3.198 3.672 . 0 0 "[ . 1 .]" 1
416 1 70 LEU HB2 1 70 LEU MD2 2.647 . 3.523 3.191 3.186 3.199 . 0 0 "[ . 1 .]" 1
417 1 70 LEU HA 1 70 LEU MD2 3.420 . 4.882 2.134 2.081 2.174 . 0 0 "[ . 1 .]" 1
418 1 70 LEU MD2 1 103 TRP HZ3 2.720 . 3.645 3.240 2.969 3.532 . 0 0 "[ . 1 .]" 1
419 1 68 LEU MD2 1 70 LEU MD1 2.237 . 2.862 2.666 2.495 2.904 0.042 15 0 "[ . 1 .]" 1
420 1 70 LEU MD1 1 103 TRP HH2 4.489 . 7.008 3.364 2.726 3.773 . 0 0 "[ . 1 .]" 1
421 1 69 ALA HA 1 69 ALA MB 2.223 . 2.841 2.129 2.127 2.132 . 0 0 "[ . 1 .]" 1
422 1 68 LEU HA 1 69 ALA MB 4.603 . 7.252 4.004 3.974 4.031 . 0 0 "[ . 1 .]" 1
423 1 68 LEU HA 1 68 LEU HG 3.186 . 4.454 3.254 3.150 3.345 . 0 0 "[ . 1 .]" 1
424 1 68 LEU HA 1 68 LEU MD1 2.847 . 3.860 2.252 2.228 2.289 . 0 0 "[ . 1 .]" 1
425 1 68 LEU HA 1 68 LEU MD2 4.006 . 6.012 3.935 3.916 3.951 . 0 0 "[ . 1 .]" 1
426 1 68 LEU HB2 1 68 LEU MD1 2.103 . 2.656 2.340 2.286 2.390 . 0 0 "[ . 1 .]" 1
427 1 51 ILE HB 1 68 LEU HB3 2.903 . 3.956 2.322 2.116 2.594 . 0 0 "[ . 1 .]" 1
428 1 68 LEU HA 1 68 LEU HB2 2.774 . 3.736 2.395 2.382 2.414 . 0 0 "[ . 1 .]" 1
429 1 68 LEU MD1 1 68 LEU HG 1.971 . 2.457 2.122 2.120 2.125 . 0 0 "[ . 1 .]" 1
430 1 68 LEU MD1 1 123 LEU MD2 2.618 . 3.475 3.222 3.014 3.388 . 0 0 "[ . 1 .]" 1
431 1 68 LEU MD1 1 123 LEU MD1 2.380 . 3.088 2.050 1.951 2.135 . 0 0 "[ . 1 .]" 1
432 1 68 LEU MD2 1 111 PHE QE 4.197 . 6.399 3.043 2.302 3.555 . 0 0 "[ . 1 .]" 1
433 1 51 ILE HB 1 68 LEU MD2 2.923 . 3.991 3.120 2.522 3.462 . 0 0 "[ . 1 .]" 1
434 1 68 LEU HB3 1 68 LEU MD2 2.067 . 2.601 2.285 2.258 2.299 . 0 0 "[ . 1 .]" 1
435 1 67 ASN HA 1 67 ASN HB2 2.968 . 4.069 2.524 2.497 2.557 . 0 0 "[ . 1 .]" 1
436 1 66 LEU HA 1 66 LEU HB3 2.981 . 4.092 3.010 2.995 3.016 . 0 0 "[ . 1 .]" 1
437 1 66 LEU HB3 1 66 LEU MD2 2.057 . 2.586 2.267 2.242 2.311 . 0 0 "[ . 1 .]" 1
438 1 66 LEU MD1 1 111 PHE QD 3.718 . 5.446 3.266 2.760 4.218 . 0 0 "[ . 1 .]" 1
439 1 66 LEU MD1 1 111 PHE HA 3.411 . 4.866 3.054 1.989 4.399 . 0 0 "[ . 1 .]" 1
440 1 66 LEU HA 1 66 LEU MD1 3.309 . 4.678 3.086 2.163 3.731 . 0 0 "[ . 1 .]" 1
441 1 64 HIS HA 1 64 HIS HB3 2.365 . 3.064 2.517 2.470 2.609 . 0 0 "[ . 1 .]" 1
442 1 64 HIS HD2 1 119 ALA HA 5.045 . 8.226 5.309 4.098 6.212 . 0 0 "[ . 1 .]" 1
443 1 64 HIS HB2 1 64 HIS HD2 3.028 . 4.174 2.882 2.752 3.305 . 0 0 "[ . 1 .]" 1
444 1 63 ALA MB 1 64 HIS HD2 3.564 . 5.152 3.697 3.002 4.117 . 0 0 "[ . 1 .]" 1
445 1 63 ALA HA 1 63 ALA MB 1.902 . 2.354 2.127 2.123 2.130 . 0 0 "[ . 1 .]" 1
446 1 62 TYR QD 1 117 ALA HA 3.394 . 4.834 3.384 2.478 4.366 . 0 0 "[ . 1 .]" 1
447 1 62 TYR QD 1 117 ALA MB 4.959 . 8.033 3.523 3.056 4.579 . 0 0 "[ . 1 .]" 1
448 1 60 ARG HB3 1 60 ARG HG2 2.127 . 2.692 2.569 2.401 3.013 0.321 2 0 "[ . 1 .]" 1
449 1 60 ARG HA 1 60 ARG HB3 2.976 . 4.083 2.656 2.406 3.034 . 0 0 "[ . 1 .]" 1
450 1 38 VAL HA 1 38 VAL MG2 2.359 . 3.055 2.425 2.365 2.503 . 0 0 "[ . 1 .]" 1
451 1 38 VAL HB 1 38 VAL MG2 1.983 . 2.474 2.126 2.124 2.129 . 0 0 "[ . 1 .]" 1
452 1 54 PRO HA 1 54 PRO HB2 2.533 . 3.335 2.801 2.686 2.969 . 0 0 "[ . 1 .]" 1
453 1 33 ALA HA 1 53 ALA HA 2.330 . 3.008 2.748 2.206 3.266 0.258 7 0 "[ . 1 .]" 1
454 1 51 ILE HA 1 52 VAL HB 5.246 . 8.686 4.681 4.632 4.758 . 0 0 "[ . 1 .]" 1
455 1 52 VAL HB 1 52 VAL MG2 1.846 . 2.272 2.128 2.126 2.130 . 0 0 "[ . 1 .]" 1
456 1 52 VAL HA 1 52 VAL MG2 2.729 . 3.660 2.454 2.422 2.494 . 0 0 "[ . 1 .]" 1
457 1 52 VAL MG2 1 67 ASN HA 2.881 . 3.919 2.997 2.751 3.283 . 0 0 "[ . 1 .]" 1
458 1 52 VAL HA 1 52 VAL MG1 3.132 . 4.358 2.392 2.352 2.416 . 0 0 "[ . 1 .]" 1
459 1 52 VAL MG1 1 67 ASN HA 4.120 . 6.242 3.615 3.331 3.939 . 0 0 "[ . 1 .]" 1
460 1 51 ILE HA 1 51 ILE HG12 2.663 . 3.549 2.666 2.604 2.708 . 0 0 "[ . 1 .]" 1
461 1 51 ILE HB 1 68 LEU HB2 3.528 . 5.084 3.842 3.682 4.105 . 0 0 "[ . 1 .]" 1
462 1 51 ILE MG 1 111 PHE QE 3.391 . 4.828 2.647 2.028 3.326 . 0 0 "[ . 1 .]" 1
463 1 51 ILE MG 1 53 ALA MB 2.154 . 6.000 3.868 3.387 4.442 . 0 0 "[ . 1 .]" 1
464 1 51 ILE HG12 1 51 ILE MG 1.908 . 2.363 2.357 2.314 2.382 0.019 6 0 "[ . 1 .]" 1
465 1 50 ARG HA 1 69 ALA HA 2.437 . 3.179 2.443 2.217 2.696 . 0 0 "[ . 1 .]" 1
466 1 50 ARG HA 1 51 ILE HG13 3.201 . 4.482 3.481 3.287 3.589 . 0 0 "[ . 1 .]" 1
467 1 50 ARG HA 1 69 ALA MB 4.846 . 7.781 3.825 3.637 4.195 . 0 0 "[ . 1 .]" 1
468 1 49 VAL HA 1 49 VAL MG2 2.203 . 2.809 2.366 2.345 2.387 . 0 0 "[ . 1 .]" 1
469 1 22 ALA HA 1 49 VAL MG2 3.050 . 4.213 2.378 2.166 2.700 . 0 0 "[ . 1 .]" 1
470 1 49 VAL MG1 1 49 VAL MG2 1.701 . 2.062 2.085 2.081 2.090 0.028 10 0 "[ . 1 .]" 1
471 1 49 VAL HA 1 49 VAL MG1 3.381 . 4.810 3.219 3.214 3.225 . 0 0 "[ . 1 .]" 1
472 1 49 VAL HB 1 49 VAL MG1 2.745 . 3.687 2.127 2.125 2.129 . 0 0 "[ . 1 .]" 1
473 1 49 VAL MG1 1 70 LEU HB3 2.873 . 3.905 3.255 3.134 3.420 . 0 0 "[ . 1 .]" 1
474 1 48 GLN HA 1 70 LEU HB2 4.876 . 7.848 4.933 4.707 5.219 . 0 0 "[ . 1 .]" 1
475 1 48 GLN HA 1 71 THR MG 4.072 . 6.145 3.828 3.434 5.172 . 0 0 "[ . 1 .]" 1
476 1 47 THR HA 1 47 THR MG 2.946 . 4.031 2.342 2.289 2.412 . 0 0 "[ . 1 .]" 1
477 1 18 ALA MB 1 47 THR MG 1.491 . 6.000 2.423 1.843 3.121 . 0 0 "[ . 1 .]" 1
478 1 37 VAL MG1 1 47 THR MG 1.502 . 6.000 2.828 2.422 3.858 . 0 0 "[ . 1 .]" 1
479 1 40 TYR HA 1 40 TYR QD 3.151 . 4.392 2.710 2.438 3.030 . 0 0 "[ . 1 .]" 1
480 1 46 PRO HB2 1 71 THR MG 6.175 . 10.942 3.973 3.540 4.579 . 0 0 "[ . 1 .]" 1
481 1 46 PRO HB3 1 71 THR MG 3.752 . 5.511 5.171 4.523 5.613 0.102 15 0 "[ . 1 .]" 1
482 1 46 PRO HB2 1 46 PRO HG3 2.981 . 4.092 2.795 2.661 3.001 . 0 0 "[ . 1 .]" 1
483 1 43 HIS HA 1 43 HIS HE1 5.210 . 8.603 5.294 4.743 6.401 . 0 0 "[ . 1 .]" 1
484 1 45 HIS HB3 1 45 HIS HD2 3.771 . 5.549 3.374 2.713 3.966 . 0 0 "[ . 1 .]" 1
485 1 40 TYR HA 1 40 TYR HB3 2.976 . 4.083 3.029 3.022 3.035 . 0 0 "[ . 1 .]" 1
486 1 40 TYR HA 1 40 TYR HB2 2.978 . 4.086 2.495 2.420 2.570 . 0 0 "[ . 1 .]" 1
487 1 38 VAL MG1 1 38 VAL MG2 1.487 . 6.000 2.081 2.077 2.083 . 0 0 "[ . 1 .]" 1
488 1 38 VAL HA 1 38 VAL MG1 2.441 . 3.186 2.374 2.325 2.422 . 0 0 "[ . 1 .]" 1
489 1 22 ALA MB 1 37 VAL MG2 1.495 . 6.000 2.047 1.871 2.403 . 0 0 "[ . 1 .]" 1
490 1 37 VAL HB 1 37 VAL MG2 1.997 . 2.495 2.129 2.127 2.131 . 0 0 "[ . 1 .]" 1
491 1 19 PRO HA 1 37 VAL MG2 2.566 . 3.389 2.349 2.046 2.601 . 0 0 "[ . 1 .]" 1
492 1 37 VAL HA 1 37 VAL MG2 2.572 . 3.399 2.397 2.345 2.495 . 0 0 "[ . 1 .]" 1
493 1 22 ALA HA 1 35 THR HB 3.621 . 5.260 3.111 2.880 3.422 . 0 0 "[ . 1 .]" 1
494 1 22 ALA MB 1 35 THR HB 2.912 . 3.972 2.618 2.297 2.943 . 0 0 "[ . 1 .]" 1
495 1 34 HIS HA 1 35 THR MG 2.828 . 3.828 3.701 3.545 3.819 . 0 0 "[ . 1 .]" 1
496 1 33 ALA HA 1 53 ALA MB 3.802 . 5.609 3.423 2.810 4.039 . 0 0 "[ . 1 .]" 1
497 1 32 ARG HA 1 32 ARG HG3 2.760 . 3.712 3.391 2.917 3.779 0.067 7 0 "[ . 1 .]" 1
498 1 32 ARG HA 1 32 ARG HG2 4.143 . 6.289 2.770 2.416 3.190 . 0 0 "[ . 1 .]" 1
499 1 31 HIS HA 1 32 ARG HA 3.750 . 5.508 4.621 4.522 4.697 . 0 0 "[ . 1 .]" 1
500 1 27 ASP HA 1 31 HIS HB3 5.205 . 8.592 6.254 5.177 6.888 . 0 0 "[ . 1 .]" 1
501 1 31 HIS HA 1 31 HIS HB2 2.890 . 3.934 3.017 3.002 3.030 . 0 0 "[ . 1 .]" 1
502 1 31 HIS HA 1 31 HIS HD2 3.685 . 5.383 3.890 2.400 4.382 . 0 0 "[ . 1 .]" 1
503 1 27 ASP HA 1 31 HIS HE1 4.813 . 7.708 4.846 3.744 6.288 . 0 0 "[ . 1 .]" 1
504 1 30 ASN HA 1 31 HIS HD2 4.061 . 6.123 3.967 3.125 6.537 0.414 6 0 "[ . 1 .]" 1
505 1 30 ASN HB2 1 32 ARG HG2 3.379 . 4.806 3.554 2.206 4.679 . 0 0 "[ . 1 .]" 1
506 1 30 ASN HB3 1 32 ARG HG3 5.068 . 8.279 4.125 3.257 4.942 . 0 0 "[ . 1 .]" 1
507 1 29 LEU HA 1 29 LEU HG 2.893 . 3.939 3.172 3.121 3.225 . 0 0 "[ . 1 .]" 1
508 1 29 LEU HB2 1 29 LEU HG 1.988 . 2.482 2.459 2.428 2.487 0.005 9 0 "[ . 1 .]" 1
509 1 29 LEU HB3 1 29 LEU HG 2.549 . 3.361 3.016 3.013 3.018 . 0 0 "[ . 1 .]" 1
510 1 29 LEU HA 1 29 LEU MD2 2.915 . 3.977 2.137 2.104 2.173 . 0 0 "[ . 1 .]" 1
511 1 28 LEU HB3 1 28 LEU MD1 2.332 . 3.012 2.908 2.269 3.201 0.189 10 0 "[ . 1 .]" 1
512 1 28 LEU HB2 1 28 LEU MD2 2.508 . 3.294 2.585 2.380 3.203 . 0 0 "[ . 1 .]" 1
513 1 28 LEU MD1 1 28 LEU HG 2.071 . 2.607 2.124 2.121 2.126 . 0 0 "[ . 1 .]" 1
514 1 28 LEU MD2 1 28 LEU HG 2.942 . 4.024 2.130 2.125 2.134 . 0 0 "[ . 1 .]" 1
515 1 28 LEU HA 1 28 LEU HG 3.472 . 4.979 3.216 3.057 3.711 . 0 0 "[ . 1 .]" 1
516 1 28 LEU HA 1 28 LEU MD1 2.848 . 3.862 2.629 2.131 3.876 0.014 7 0 "[ . 1 .]" 1
517 1 27 ASP HA 1 31 HIS HD2 4.127 . 6.256 3.785 2.995 5.678 . 0 0 "[ . 1 .]" 1
518 1 27 ASP HA 1 27 ASP HB2 2.510 . 3.297 2.435 2.377 2.488 . 0 0 "[ . 1 .]" 1
519 1 26 ALA HA 1 26 ALA MB 2.058 . 2.587 2.128 2.126 2.130 . 0 0 "[ . 1 .]" 1
520 1 24 ALA MB 1 25 ILE HA 3.027 . 4.172 3.821 3.796 3.850 . 0 0 "[ . 1 .]" 1
521 1 25 ILE HA 1 25 ILE MG 2.416 . 3.146 2.428 2.405 2.461 . 0 0 "[ . 1 .]" 1
522 1 25 ILE MD 1 25 ILE MG 1.669 . 2.017 1.893 1.875 1.934 . 0 0 "[ . 1 .]" 1
523 1 25 ILE HB 1 25 ILE MG 2.158 . 2.740 2.129 2.127 2.130 . 0 0 "[ . 1 .]" 1
524 1 24 ALA HA 1 24 ALA MB 2.038 . 2.557 2.128 2.125 2.130 . 0 0 "[ . 1 .]" 1
525 1 22 ALA MB 1 35 THR HA 5.731 . 9.837 4.633 4.380 4.898 . 0 0 "[ . 1 .]" 1
526 1 21 ILE HA 1 24 ALA MB 2.690 . 3.594 2.789 2.554 2.926 . 0 0 "[ . 1 .]" 1
527 1 21 ILE HB 1 21 ILE MG 2.361 . 3.058 2.132 2.130 2.133 . 0 0 "[ . 1 .]" 1
528 1 21 ILE HB 1 21 ILE MD 2.960 . 4.056 2.402 2.385 2.415 . 0 0 "[ . 1 .]" 1
529 1 21 ILE HG12 1 21 ILE MG 1.972 . 2.458 2.337 2.325 2.354 . 0 0 "[ . 1 .]" 1
530 1 21 ILE MD 1 89 PHE HZ 3.236 . 4.545 3.536 2.917 4.160 . 0 0 "[ . 1 .]" 1
531 1 21 ILE MD 1 89 PHE QE 3.593 . 5.207 2.335 1.972 2.742 0.007 10 0 "[ . 1 .]" 1
532 1 13 PHE HZ 1 21 ILE MD 3.961 . 5.922 2.553 2.209 3.099 . 0 0 "[ . 1 .]" 1
533 1 21 ILE MD 1 128 PHE QE 4.159 . 6.321 3.134 2.330 3.608 . 0 0 "[ . 1 .]" 1
534 1 21 ILE HA 1 21 ILE MD 4.996 . 8.116 3.877 3.861 3.901 . 0 0 "[ . 1 .]" 1
535 1 21 ILE MD 1 21 ILE MG 2.721 . 3.646 2.030 2.016 2.056 . 0 0 "[ . 1 .]" 1
536 1 21 ILE MG 1 72 TRP HZ2 2.787 . 3.758 3.329 3.014 3.579 . 0 0 "[ . 1 .]" 1
537 1 21 ILE MG 1 72 TRP HH2 2.433 . 3.173 2.212 2.059 2.330 . 0 0 "[ . 1 .]" 1
538 1 21 ILE MG 1 92 TYR QE 3.338 . 4.731 3.455 2.965 4.047 . 0 0 "[ . 1 .]" 1
539 1 21 ILE HA 1 21 ILE MG 3.036 . 4.188 2.393 2.352 2.430 . 0 0 "[ . 1 .]" 1
540 1 19 PRO HA 1 22 ALA MB 2.976 . 4.083 2.670 2.316 2.937 . 0 0 "[ . 1 .]" 1
541 1 18 ALA HA 1 18 ALA MB 2.468 . 3.229 2.117 2.114 2.119 . 0 0 "[ . 1 .]" 1
542 1 14 ASP HA 1 18 ALA MB 3.037 . 4.190 2.435 2.234 2.754 . 0 0 "[ . 1 .]" 1
543 1 13 PHE QD 1 17 PHE HB3 3.896 . 5.793 3.627 3.311 3.882 . 0 0 "[ . 1 .]" 1
544 1 13 PHE QD 1 17 PHE QD 4.232 . 6.471 3.456 3.096 3.650 . 0 0 "[ . 1 .]" 1
545 1 16 GLU HA 1 16 GLU HG3 2.225 . 2.844 2.905 2.515 3.185 0.341 3 0 "[ . 1 .]" 1
546 1 16 GLU HA 1 16 GLU HB2 2.778 . 3.743 2.486 2.450 2.570 . 0 0 "[ . 1 .]" 1
547 1 16 GLU HB2 1 16 GLU HG2 2.627 . 3.490 2.569 2.392 3.010 . 0 0 "[ . 1 .]" 1
548 1 16 GLU HA 1 16 GLU HG2 3.748 . 5.504 3.617 3.121 3.803 . 0 0 "[ . 1 .]" 1
549 1 15 THR HB 1 15 THR MG 2.000 . 2.500 2.133 2.130 2.136 . 0 0 "[ . 1 .]" 1
550 1 13 PHE HA 1 13 PHE QD 3.360 . 4.771 2.845 2.713 2.972 . 0 0 "[ . 1 .]" 1
551 1 13 PHE HA 1 17 PHE QD 4.214 . 6.434 1.993 1.919 2.086 0.075 14 0 "[ . 1 .]" 1
552 1 13 PHE HA 1 17 PHE HB2 2.829 . 3.829 2.435 2.226 2.644 . 0 0 "[ . 1 .]" 1
553 1 13 PHE HA 1 17 PHE HB3 4.941 . 7.993 4.114 3.882 4.361 . 0 0 "[ . 1 .]" 1
554 1 12 ARG HA 1 12 ARG HB2 2.590 . 3.429 2.745 2.453 3.021 . 0 0 "[ . 1 .]" 1
555 1 12 ARG HA 1 12 ARG HB3 2.851 . 3.867 2.794 2.472 3.023 . 0 0 "[ . 1 .]" 1
556 1 11 ARG HA 1 11 ARG HB3 2.821 . 3.816 3.022 3.019 3.026 . 0 0 "[ . 1 .]" 1
557 1 111 PHE HA 1 114 ARG HG2 3.743 . 5.494 4.443 3.695 5.035 . 0 0 "[ . 1 .]" 1
558 1 10 ALA HA 1 13 PHE HB2 3.798 . 5.602 3.842 3.345 4.355 . 0 0 "[ . 1 .]" 1
559 1 10 ALA HA 1 13 PHE HB3 5.798 . 10.001 3.140 2.897 3.519 . 0 0 "[ . 1 .]" 1
560 1 7 PRO HA 1 10 ALA MB 3.184 . 4.451 2.792 2.520 4.466 0.015 4 0 "[ . 1 .]" 1
561 1 9 THR HA 1 12 ARG HB2 2.661 . 3.546 3.285 2.626 4.042 0.496 13 0 "[ . 1 .]" 1
562 1 9 THR HA 1 9 THR HB 2.640 . 3.511 3.025 3.018 3.027 . 0 0 "[ . 1 .]" 1
563 1 9 THR HB 1 9 THR MG 2.425 . 3.160 2.133 2.130 2.138 . 0 0 "[ . 1 .]" 1
564 1 8 ASP HA 1 8 ASP HB3 2.786 . 3.757 2.769 2.420 3.032 . 0 0 "[ . 1 .]" 1
565 1 8 ASP HA 1 11 ARG HB3 2.395 . 3.112 2.730 2.455 3.057 . 0 0 "[ . 1 .]" 1
566 1 7 PRO HA 1 7 PRO HG2 3.265 . 4.598 3.897 3.844 4.010 . 0 0 "[ . 1 .]" 1
567 1 7 PRO HA 1 7 PRO HB3 2.893 . 3.939 2.290 2.270 2.314 . 0 0 "[ . 1 .]" 1
568 1 6 SER HA 1 7 PRO HA 3.659 . 5.332 4.632 4.444 4.868 . 0 0 "[ . 1 .]" 1
569 1 6 SER HA 1 7 PRO HG2 5.926 . 10.316 4.611 4.113 5.650 . 0 0 "[ . 1 .]" 1
570 1 7 PRO HA 1 7 PRO HB2 2.376 . 3.082 2.763 2.662 2.953 . 0 0 "[ . 1 .]" 1
571 1 6 SER HB3 1 7 PRO HG2 6.080 . 10.701 6.279 4.695 6.988 . 0 0 "[ . 1 .]" 1
572 1 6 SER HB2 1 7 PRO HG2 7.657 . 14.986 6.299 4.577 7.035 . 0 0 "[ . 1 .]" 1
573 1 3 MET HA 1 3 MET HG3 4.075 . 6.151 3.467 2.397 3.805 . 0 0 "[ . 1 .]" 1
574 1 3 MET HA 1 3 MET HB2 2.954 . 4.045 2.737 2.439 3.034 . 0 0 "[ . 1 .]" 1
575 1 3 MET HA 1 3 MET HG2 4.155 . 6.313 3.409 3.050 3.805 . 0 0 "[ . 1 .]" 1
576 1 80 LEU MD2 1 89 PHE HB2 2.862 . 3.886 2.387 2.121 2.920 . 0 0 "[ . 1 .]" 1
577 1 80 LEU MD2 1 128 PHE HB2 4.235 . 6.477 3.575 3.065 4.402 . 0 0 "[ . 1 .]" 1
578 1 100 LEU MD1 1 100 LEU HG 1.857 . 2.288 2.121 2.115 2.126 . 0 0 "[ . 1 .]" 1
579 1 96 LEU MD2 1 103 TRP HZ3 4.780 . 7.636 4.173 3.731 4.357 . 0 0 "[ . 1 .]" 1
580 1 22 ALA HA 1 25 ILE HB 2.464 . 3.223 3.023 2.763 3.213 . 0 0 "[ . 1 .]" 1
581 1 13 PHE HB2 1 77 ILE MG 3.383 . 4.814 2.263 2.060 2.621 . 0 0 "[ . 1 .]" 1
582 1 77 ILE HG12 1 80 LEU MD1 3.629 . 5.276 3.404 3.135 3.712 . 0 0 "[ . 1 .]" 1
583 1 122 LEU HA 1 122 LEU MD2 2.652 . 3.531 2.173 2.123 2.234 . 0 0 "[ . 1 .]" 1
584 1 122 LEU HA 1 122 LEU HB3 2.697 . 3.606 2.413 2.388 2.437 . 0 0 "[ . 1 .]" 1
585 1 35 THR MG 1 51 ILE MG 1.871 . 2.309 2.167 1.998 2.377 0.068 14 0 "[ . 1 .]" 1
586 1 93 LEU MD2 1 96 LEU HG 3.266 . 4.599 3.302 3.247 3.396 . 0 0 "[ . 1 .]" 1
587 1 25 ILE HA 1 28 LEU HB3 3.565 . 5.153 2.943 2.455 4.430 . 0 0 "[ . 1 .]" 1
588 1 68 LEU HG 1 70 LEU MD2 3.324 . 4.705 3.029 2.839 3.168 . 0 0 "[ . 1 .]" 1
589 1 62 TYR QE 1 117 ALA MB 4.234 . 6.475 3.164 2.439 4.248 . 0 0 "[ . 1 .]" 1
590 1 68 LEU HB2 1 121 VAL MG1 2.162 . 2.746 2.374 2.177 2.612 . 0 0 "[ . 1 .]" 1
591 1 70 LEU HA 1 123 LEU HB2 4.136 . 6.275 2.774 2.587 3.018 . 0 0 "[ . 1 .]" 1
592 1 96 LEU HA 1 99 LYS HB2 3.703 . 5.417 2.909 2.372 3.711 . 0 0 "[ . 1 .]" 1
593 1 19 PRO HG3 1 37 VAL MG1 3.181 . 4.445 3.393 2.943 3.945 . 0 0 "[ . 1 .]" 1
594 1 90 GLU HA 1 93 LEU HB2 4.465 . 6.957 3.091 2.861 3.482 . 0 0 "[ . 1 .]" 1
595 1 90 GLU HA 1 93 LEU HB3 5.652 . 9.645 4.563 4.380 4.830 . 0 0 "[ . 1 .]" 1
596 1 70 LEU MD2 1 123 LEU HB3 4.654 . 7.361 3.548 3.367 3.758 . 0 0 "[ . 1 .]" 1
597 1 49 VAL HB 1 72 TRP HZ3 3.859 . 5.720 3.872 3.631 4.163 . 0 0 "[ . 1 .]" 1
598 1 35 THR HB 1 37 VAL MG2 4.343 . 6.700 4.407 4.065 4.838 . 0 0 "[ . 1 .]" 1
599 1 19 PRO HA 1 37 VAL HB 4.141 . 6.284 4.684 4.239 5.016 . 0 0 "[ . 1 .]" 1
600 1 18 ALA MB 1 49 VAL HB 3.363 . 4.777 3.743 3.234 3.996 . 0 0 "[ . 1 .]" 1
601 1 69 ALA MB 1 122 LEU MD2 1.653 . 1.995 1.857 1.808 1.904 . 0 0 "[ . 1 .]" 1
602 1 104 GLU HG3 1 109 VAL HB 4.382 . 6.782 4.579 4.298 5.000 . 0 0 "[ . 1 .]" 1
603 1 16 GLU HB3 1 17 PHE HA 4.748 . 7.566 4.195 4.068 4.279 . 0 0 "[ . 1 .]" 1
604 1 9 THR HA 1 81 MET HG2 4.234 . 6.475 4.305 3.431 4.903 . 0 0 "[ . 1 .]" 1
605 1 9 THR HA 1 81 MET HG3 3.999 . 5.998 4.310 3.274 5.283 . 0 0 "[ . 1 .]" 1
606 1 89 PHE HA 1 93 LEU HG 4.399 . 6.818 4.305 4.124 4.490 . 0 0 "[ . 1 .]" 1
607 1 121 VAL MG2 1 123 LEU HG 2.318 . 2.990 2.293 2.091 2.557 . 0 0 "[ . 1 .]" 1
608 1 98 ARG HA 1 101 ALA MB 1.717 . 6.000 2.929 2.647 3.264 . 0 0 "[ . 1 .]" 1
609 1 25 ILE HA 1 28 LEU MD2 3.364 . 4.778 3.711 3.098 5.035 0.257 1 0 "[ . 1 .]" 1
610 1 120 LEU HG 1 122 LEU HG 1.883 . 2.326 2.168 2.032 2.356 0.030 4 0 "[ . 1 .]" 1
611 1 68 LEU MD1 1 111 PHE HZ 4.046 . 6.093 4.233 3.571 4.908 . 0 0 "[ . 1 .]" 1
612 1 99 LYS HB2 1 103 TRP HZ2 6.448 . 11.645 4.811 3.856 5.357 . 0 0 "[ . 1 .]" 1
613 1 99 LYS HB2 1 103 TRP HE3 4.938 . 7.986 5.306 4.892 6.481 . 0 0 "[ . 1 .]" 1
614 1 99 LYS HB2 1 103 TRP HH2 6.444 . 11.635 4.107 3.466 5.291 . 0 0 "[ . 1 .]" 1
615 1 8 ASP HB3 1 9 THR HA 5.209 . 8.601 4.568 4.188 5.733 . 0 0 "[ . 1 .]" 1
616 1 9 THR MG 1 81 MET HG3 3.040 . 4.196 3.094 2.117 3.678 . 0 0 "[ . 1 .]" 1
617 1 9 THR MG 1 81 MET HG2 3.957 . 5.914 3.270 2.606 3.885 . 0 0 "[ . 1 .]" 1
618 1 7 PRO HB3 1 10 ALA MB 3.918 . 5.837 4.375 3.354 4.651 . 0 0 "[ . 1 .]" 1
619 1 10 ALA MB 1 40 TYR HB2 4.180 . 6.364 2.871 2.321 3.470 . 0 0 "[ . 1 .]" 1
620 1 99 LYS HB3 1 103 TRP HZ3 4.301 . 6.613 4.004 3.558 4.522 . 0 0 "[ . 1 .]" 1
621 1 68 LEU HA 1 122 LEU MD2 3.531 . 5.090 3.762 3.490 3.955 . 0 0 "[ . 1 .]" 1
622 1 68 LEU HA 1 121 VAL MG2 3.409 . 4.861 3.663 3.553 3.824 . 0 0 "[ . 1 .]" 1
623 1 40 TYR QD 1 46 PRO HA 4.502 . 7.035 3.085 1.944 4.948 0.025 2 0 "[ . 1 .]" 1
624 1 34 HIS HB3 1 52 VAL HB 3.364 . 4.779 3.263 2.986 3.773 . 0 0 "[ . 1 .]" 1
625 1 50 ARG HA 1 52 VAL MG2 4.560 . 7.159 4.603 4.359 4.774 . 0 0 "[ . 1 .]" 1
626 1 34 HIS HB3 1 52 VAL MG1 3.613 . 5.245 4.246 3.938 4.834 . 0 0 "[ . 1 .]" 1
627 1 50 ARG HG3 1 52 VAL MG2 2.778 . 3.743 2.843 2.450 3.210 . 0 0 "[ . 1 .]" 1
628 1 34 HIS HE1 1 36 ASP HB2 7.801 . 15.408 5.990 4.261 7.148 . 0 0 "[ . 1 .]" 1
629 1 10 ALA MB 1 40 TYR HA 4.542 . 7.121 4.679 4.158 5.092 . 0 0 "[ . 1 .]" 1
630 1 10 ALA MB 1 40 TYR QE 3.259 . 4.587 3.360 2.978 4.128 . 0 0 "[ . 1 .]" 1
631 1 111 PHE HA 1 114 ARG HA 3.660 . 5.334 3.054 2.610 3.500 . 0 0 "[ . 1 .]" 1
632 1 34 HIS HB3 1 34 HIS HD2 3.025 . 4.168 2.799 2.750 2.864 . 0 0 "[ . 1 .]" 1
633 1 35 THR HA 1 51 ILE HA 2.329 . 3.007 2.442 2.361 2.529 . 0 0 "[ . 1 .]" 1
634 1 35 THR HA 1 51 ILE HG13 4.481 . 6.991 4.772 4.539 4.994 . 0 0 "[ . 1 .]" 1
635 1 35 THR HA 1 51 ILE HG12 3.542 . 5.110 3.756 3.434 4.044 . 0 0 "[ . 1 .]" 1
636 1 35 THR HA 1 51 ILE MG 4.309 . 6.630 3.580 3.332 3.845 . 0 0 "[ . 1 .]" 1
637 1 52 VAL HA 1 66 LEU HB2 6.049 . 10.622 5.711 5.339 6.129 . 0 0 "[ . 1 .]" 1
638 1 11 ARG HA 1 14 ASP HB2 3.257 . 4.583 3.525 2.893 4.172 . 0 0 "[ . 1 .]" 1
639 1 10 ALA MB 1 40 TYR HB3 2.817 . 3.809 3.517 3.064 4.066 0.257 15 0 "[ . 1 .]" 1
640 1 10 ALA MB 1 40 TYR QD 3.753 . 5.514 2.904 2.702 3.154 . 0 0 "[ . 1 .]" 1
641 1 40 TYR QE 1 44 GLY HA3 5.210 . 8.603 6.440 5.536 7.985 . 0 0 "[ . 1 .]" 1
642 1 34 HIS HD2 1 52 VAL MG2 3.901 . 5.804 4.219 3.714 4.815 . 0 0 "[ . 1 .]" 1
643 1 40 TYR QE 1 46 PRO HA 2.966 . 6.000 3.990 2.539 6.405 0.405 15 0 "[ . 1 .]" 1
644 1 40 TYR QE 1 44 GLY HA2 5.305 . 8.823 5.569 4.146 6.945 . 0 0 "[ . 1 .]" 1
645 1 109 VAL MG2 1 111 PHE HZ 4.093 . 6.187 4.562 4.272 4.842 . 0 0 "[ . 1 .]" 1
646 1 97 PRO HA 1 100 LEU HG 4.715 . 7.493 4.885 3.943 5.264 . 0 0 "[ . 1 .]" 1
647 1 26 ALA HA 1 29 LEU HG 4.455 . 6.935 4.014 3.780 4.278 . 0 0 "[ . 1 .]" 1
648 1 25 ILE HA 1 29 LEU HG 3.714 . 5.438 3.820 3.663 4.042 . 0 0 "[ . 1 .]" 1
649 1 29 LEU MD2 1 111 PHE HB3 2.974 . 4.079 2.564 2.177 3.038 . 0 0 "[ . 1 .]" 1
650 1 23 ARG HA 1 26 ALA MB 2.262 . 2.901 2.588 2.378 2.899 . 0 0 "[ . 1 .]" 1
651 1 15 THR HA 1 19 PRO HG2 3.765 . 5.537 3.302 3.070 3.698 . 0 0 "[ . 1 .]" 1
652 1 15 THR HA 1 19 PRO HG3 3.830 . 5.664 3.848 3.633 4.155 . 0 0 "[ . 1 .]" 1
653 1 30 ASN HB3 1 32 ARG HG2 5.254 . 8.705 4.151 2.757 5.688 . 0 0 "[ . 1 .]" 1
654 1 66 LEU MD2 1 111 PHE QD 3.618 . 5.254 3.242 2.097 4.104 . 0 0 "[ . 1 .]" 1
655 1 65 PRO HA 1 115 THR HA 3.267 . 4.601 3.217 2.593 3.960 . 0 0 "[ . 1 .]" 1
656 1 25 ILE MD 1 70 LEU MD2 2.096 . 6.000 4.470 4.179 5.194 . 0 0 "[ . 1 .]" 1
657 1 62 TYR HB2 1 115 THR HB 5.117 . 8.389 2.729 2.233 3.631 . 0 0 "[ . 1 .]" 1
658 1 62 TYR HB3 1 115 THR HB 3.156 . 4.401 4.126 2.931 4.687 0.286 7 0 "[ . 1 .]" 1
659 1 75 ASP HA 1 78 GLU HG2 4.779 . 7.634 4.756 3.881 5.370 . 0 0 "[ . 1 .]" 1
660 1 34 HIS HB2 1 53 ALA MB 5.340 . 8.904 6.271 5.913 6.544 . 0 0 "[ . 1 .]" 1
661 1 103 TRP HA 1 106 ALA MB 3.222 . 4.520 2.755 2.433 2.964 . 0 0 "[ . 1 .]" 1
662 1 94 ALA HA 1 94 ALA MB 2.323 . 2.998 2.127 2.124 2.130 . 0 0 "[ . 1 .]" 1
663 1 28 LEU MD1 1 97 PRO HA 4.128 . 6.258 3.472 2.592 4.311 . 0 0 "[ . 1 .]" 1
664 1 72 TRP HA 1 126 LEU HB2 3.326 . 4.709 2.613 2.481 2.768 . 0 0 "[ . 1 .]" 1
665 1 52 VAL MG1 1 54 PRO HD2 3.702 . 5.415 4.493 3.638 5.021 . 0 0 "[ . 1 .]" 1
666 1 72 TRP H 1 77 ILE MD 3.501 . 5.033 3.654 3.286 4.006 . 0 0 "[ . 1 .]" 1
667 1 71 THR MG 1 72 TRP H 3.982 . 5.964 3.686 3.475 3.844 . 0 0 "[ . 1 .]" 1
668 1 72 TRP H 1 72 TRP HB2 4.091 . 6.183 2.605 2.573 2.689 . 0 0 "[ . 1 .]" 1
669 1 72 TRP H 1 72 TRP HB3 3.192 . 4.466 3.757 3.731 3.810 . 0 0 "[ . 1 .]" 1
670 1 71 THR HB 1 72 TRP H 3.108 . 4.315 2.896 2.703 3.959 . 0 0 "[ . 1 .]" 1
671 1 72 TRP H 1 72 TRP HE3 3.008 . 4.139 2.886 2.651 3.047 . 0 0 "[ . 1 .]" 1
672 1 71 THR HA 1 72 TRP H 2.467 . 3.228 2.313 2.284 2.342 . 0 0 "[ . 1 .]" 1
673 1 72 TRP HB3 1 72 TRP HE1 4.843 . 7.775 4.799 4.787 4.812 . 0 0 "[ . 1 .]" 1
674 1 72 TRP HE1 1 128 PHE QD 4.258 . 6.524 4.659 4.331 5.053 . 0 0 "[ . 1 .]" 1
675 1 72 TRP HE1 1 126 LEU HB2 3.592 . 5.205 3.846 3.738 3.994 . 0 0 "[ . 1 .]" 1
676 1 72 TRP HE1 1 126 LEU HB3 2.905 . 3.960 2.759 2.634 2.873 . 0 0 "[ . 1 .]" 1
677 1 72 TRP HE1 1 128 PHE QE 4.356 . 6.728 4.312 3.953 4.779 . 0 0 "[ . 1 .]" 1
678 1 103 TRP H 1 103 TRP HD1 3.880 . 5.761 3.783 3.593 3.919 . 0 0 "[ . 1 .]" 1
679 1 102 ALA H 1 103 TRP H 2.592 . 3.432 2.640 2.497 2.704 . 0 0 "[ . 1 .]" 1
680 1 103 TRP H 1 103 TRP HA 2.962 . 4.058 2.833 2.814 2.843 . 0 0 "[ . 1 .]" 1
681 1 103 TRP H 1 103 TRP HB3 2.729 . 3.660 3.608 3.599 3.614 . 0 0 "[ . 1 .]" 1
682 1 103 TRP H 1 103 TRP HB2 3.546 . 5.118 2.450 2.404 2.495 . 0 0 "[ . 1 .]" 1
683 1 102 ALA MB 1 103 TRP H 2.521 . 3.315 2.514 2.407 2.619 . 0 0 "[ . 1 .]" 1
684 1 47 THR H 1 47 THR HB 2.607 . 3.457 2.621 2.536 2.721 . 0 0 "[ . 1 .]" 1
685 1 46 PRO HA 1 47 THR H 2.335 . 3.016 2.214 2.144 2.400 . 0 0 "[ . 1 .]" 1
686 1 46 PRO HB2 1 47 THR H 3.838 . 5.680 3.347 2.619 3.716 . 0 0 "[ . 1 .]" 1
687 1 46 PRO HB3 1 47 THR H 3.641 . 5.298 3.675 3.217 4.147 . 0 0 "[ . 1 .]" 1
688 1 47 THR H 1 47 THR MG 3.723 . 5.456 3.754 3.704 3.823 . 0 0 "[ . 1 .]" 1
689 1 48 GLN H 1 48 GLN HA 2.979 . 4.089 2.872 2.841 2.922 . 0 0 "[ . 1 .]" 1
690 1 48 GLN H 1 48 GLN HG2 3.550 . 5.126 2.640 2.464 2.818 . 0 0 "[ . 1 .]" 1
691 1 37 VAL HA 1 48 GLN H 4.177 . 6.358 4.765 4.307 5.360 . 0 0 "[ . 1 .]" 1
692 1 38 VAL H 1 48 GLN H 3.078 . 4.262 3.453 3.302 3.747 . 0 0 "[ . 1 .]" 1
693 1 47 THR HA 1 48 GLN H 2.276 . 2.924 2.185 2.124 2.267 . 0 0 "[ . 1 .]" 1
694 1 47 THR MG 1 48 GLN H 2.533 . 3.335 2.519 2.305 2.786 . 0 0 "[ . 1 .]" 1
695 1 48 GLN HA 1 70 LEU H 4.735 . 7.538 5.207 4.822 5.558 . 0 0 "[ . 1 .]" 1
696 1 48 GLN HB2 1 70 LEU H 4.210 . 6.425 3.726 3.201 4.092 . 0 0 "[ . 1 .]" 1
697 1 70 LEU H 1 70 LEU HB2 2.423 . 3.157 2.427 2.364 2.596 . 0 0 "[ . 1 .]" 1
698 1 70 LEU H 1 70 LEU HG 2.700 . 3.611 2.753 2.668 3.137 . 0 0 "[ . 1 .]" 1
699 1 69 ALA MB 1 70 LEU H 3.205 . 4.489 3.298 2.832 3.416 . 0 0 "[ . 1 .]" 1
700 1 70 LEU H 1 70 LEU MD2 4.253 . 6.514 3.786 3.716 3.932 . 0 0 "[ . 1 .]" 1
701 1 50 ARG HA 1 70 LEU H 3.254 . 4.578 3.223 3.014 3.444 . 0 0 "[ . 1 .]" 1
702 1 69 ALA HA 1 70 LEU H 2.189 . 2.788 2.138 2.116 2.223 . 0 0 "[ . 1 .]" 1
703 1 70 LEU H 1 70 LEU HA 2.918 . 3.982 2.923 2.911 2.943 . 0 0 "[ . 1 .]" 1
704 1 115 THR H 1 115 THR HB 3.102 . 4.305 3.748 3.645 3.860 . 0 0 "[ . 1 .]" 1
705 1 110 ASP H 1 115 THR H 3.764 . 5.535 3.846 3.459 4.304 . 0 0 "[ . 1 .]" 1
706 1 110 ASP HB2 1 115 THR H 3.754 . 5.515 5.022 4.633 5.468 . 0 0 "[ . 1 .]" 1
707 1 3 MET HG3 1 4 GLY H 4.655 . 7.364 4.628 2.670 6.003 . 0 0 "[ . 1 .]" 1
708 1 3 MET HA 1 4 GLY H 3.386 . 4.819 2.966 2.220 3.558 . 0 0 "[ . 1 .]" 1
709 1 127 ASP HB2 1 129 GLU H 3.273 . 4.612 2.899 2.563 3.220 . 0 0 "[ . 1 .]" 1
710 1 129 GLU H 1 130 ALA H 4.347 . 6.709 4.397 4.229 4.558 . 0 0 "[ . 1 .]" 1
711 1 128 PHE HA 1 129 GLU H 2.930 . 4.003 2.830 2.701 2.973 . 0 0 "[ . 1 .]" 1
712 1 129 GLU H 1 129 GLU HB3 2.996 . 4.118 3.035 2.434 3.674 . 0 0 "[ . 1 .]" 1
713 1 129 GLU H 1 129 GLU HB2 2.747 . 3.691 2.572 2.436 2.826 . 0 0 "[ . 1 .]" 1
714 1 89 PHE H 1 89 PHE HB2 2.642 . 3.515 2.511 2.447 2.597 . 0 0 "[ . 1 .]" 1
715 1 89 PHE H 1 89 PHE HB3 2.635 . 3.503 2.553 2.481 2.621 . 0 0 "[ . 1 .]" 1
716 1 80 LEU MD2 1 89 PHE H 3.528 . 5.084 3.366 3.120 3.821 . 0 0 "[ . 1 .]" 1
717 1 85 GLY HA3 1 89 PHE H 3.860 . 5.722 5.124 4.844 5.328 . 0 0 "[ . 1 .]" 1
718 1 48 GLN HA 1 49 VAL H 2.282 . 2.933 2.348 2.257 2.453 . 0 0 "[ . 1 .]" 1
719 1 89 PHE H 1 89 PHE QD 4.791 . 7.660 4.187 4.172 4.214 . 0 0 "[ . 1 .]" 1
720 1 89 PHE H 1 90 GLU H 2.763 . 3.717 2.672 2.614 2.748 . 0 0 "[ . 1 .]" 1
721 1 88 ARG H 1 89 PHE H 2.861 . 3.884 2.492 2.455 2.541 . 0 0 "[ . 1 .]" 1
722 1 7 PRO HA 1 8 ASP H 2.918 . 3.983 3.371 2.165 3.540 . 0 0 "[ . 1 .]" 1
723 1 7 PRO HD2 1 8 ASP H 3.725 . 5.459 2.834 2.116 5.236 . 0 0 "[ . 1 .]" 1
724 1 8 ASP H 1 8 ASP HB3 2.724 . 3.651 2.872 2.262 3.621 . 0 0 "[ . 1 .]" 1
725 1 7 PRO HB3 1 8 ASP H 3.137 . 4.367 4.236 4.040 4.533 0.166 14 0 "[ . 1 .]" 1
726 1 9 THR H 1 10 ALA H 2.696 . 3.605 2.671 2.578 2.742 . 0 0 "[ . 1 .]" 1
727 1 8 ASP H 1 9 THR H 2.923 . 3.991 2.510 2.283 2.766 . 0 0 "[ . 1 .]" 1
728 1 9 THR H 1 11 ARG H 3.046 . 4.205 4.050 3.890 4.190 . 0 0 "[ . 1 .]" 1
729 1 8 ASP HA 1 9 THR H 3.604 . 5.227 3.524 3.462 3.549 . 0 0 "[ . 1 .]" 1
730 1 9 THR H 1 9 THR HB 2.544 . 3.353 2.564 2.486 2.637 . 0 0 "[ . 1 .]" 1
731 1 8 ASP HA 1 10 ALA H 4.426 . 6.874 4.529 4.322 4.699 . 0 0 "[ . 1 .]" 1
732 1 9 THR HB 1 10 ALA H 2.573 . 3.400 2.441 2.335 2.539 . 0 0 "[ . 1 .]" 1
733 1 98 ARG H 1 100 LEU H 3.678 . 5.369 3.863 3.706 4.130 . 0 0 "[ . 1 .]" 1
734 1 100 LEU H 1 101 ALA H 2.857 . 3.877 2.758 2.673 2.829 . 0 0 "[ . 1 .]" 1
735 1 10 ALA MB 1 11 ARG H 2.523 . 3.319 2.567 2.475 2.628 . 0 0 "[ . 1 .]" 1
736 1 100 LEU H 1 100 LEU HG 3.811 . 5.627 4.348 3.903 4.516 . 0 0 "[ . 1 .]" 1
737 1 100 LEU H 1 100 LEU MD1 4.115 . 6.232 3.826 2.303 4.019 . 0 0 "[ . 1 .]" 1
738 1 99 LYS HA 1 100 LEU H 3.365 . 4.780 3.500 3.473 3.541 . 0 0 "[ . 1 .]" 1
739 1 100 LEU H 1 100 LEU HA 2.632 . 3.498 2.784 2.763 2.805 . 0 0 "[ . 1 .]" 1
740 1 11 ARG H 1 11 ARG HA 2.766 . 3.723 2.829 2.813 2.842 . 0 0 "[ . 1 .]" 1
741 1 8 ASP HA 1 11 ARG H 3.317 . 4.692 3.473 3.234 3.750 . 0 0 "[ . 1 .]" 1
742 1 11 ARG H 1 12 ARG H 2.643 . 3.516 2.618 2.523 2.687 . 0 0 "[ . 1 .]" 1
743 1 11 ARG H 1 13 PHE H 3.864 . 5.731 4.190 4.021 4.426 . 0 0 "[ . 1 .]" 1
744 1 12 ARG H 1 12 ARG HB2 2.031 . 2.547 2.420 2.206 2.572 0.025 14 0 "[ . 1 .]" 1
745 1 12 ARG H 1 13 PHE H 2.831 . 3.833 2.672 2.589 2.834 . 0 0 "[ . 1 .]" 1
746 1 13 PHE H 1 13 PHE HB2 2.723 . 3.650 2.524 2.454 2.609 . 0 0 "[ . 1 .]" 1
747 1 13 PHE H 1 13 PHE HB3 2.767 . 3.724 2.571 2.467 2.674 . 0 0 "[ . 1 .]" 1
748 1 13 PHE H 1 14 ASP H 2.839 . 3.847 2.602 2.551 2.650 . 0 0 "[ . 1 .]" 1
749 1 13 PHE QD 1 14 ASP H 4.460 . 6.947 3.543 3.386 3.695 . 0 0 "[ . 1 .]" 1
750 1 14 ASP H 1 14 ASP HA 2.715 . 3.636 2.788 2.752 2.823 . 0 0 "[ . 1 .]" 1
751 1 14 ASP H 1 14 ASP HB2 2.567 . 3.391 2.666 2.453 2.836 . 0 0 "[ . 1 .]" 1
752 1 14 ASP H 1 14 ASP HB3 2.944 . 4.027 2.342 2.202 2.549 . 0 0 "[ . 1 .]" 1
753 1 13 PHE HB2 1 14 ASP H 2.927 . 3.998 3.801 3.714 3.886 . 0 0 "[ . 1 .]" 1
754 1 13 PHE H 1 15 THR H 3.971 . 5.942 4.087 3.991 4.212 . 0 0 "[ . 1 .]" 1
755 1 14 ASP H 1 15 THR H 2.955 . 4.046 2.735 2.626 2.838 . 0 0 "[ . 1 .]" 1
756 1 15 THR H 1 15 THR MG 2.755 . 3.703 2.835 2.090 3.831 0.128 15 0 "[ . 1 .]" 1
757 1 14 ASP HB3 1 15 THR H 4.184 . 6.372 2.822 2.648 2.983 . 0 0 "[ . 1 .]" 1
758 1 14 ASP HB2 1 15 THR H 3.035 . 4.186 4.073 3.876 4.184 . 0 0 "[ . 1 .]" 1
759 1 15 THR H 1 15 THR HA 2.914 . 3.976 2.909 2.879 2.936 . 0 0 "[ . 1 .]" 1
760 1 15 THR H 1 15 THR HB 2.908 . 3.965 3.180 2.554 3.662 . 0 0 "[ . 1 .]" 1
761 1 16 GLU H 1 16 GLU HB2 2.925 . 3.994 2.713 2.532 2.844 . 0 0 "[ . 1 .]" 1
762 1 16 GLU H 1 16 GLU HB3 2.462 . 3.220 2.563 2.485 2.706 . 0 0 "[ . 1 .]" 1
763 1 12 ARG HA 1 16 GLU H 3.620 . 5.258 3.656 3.437 3.866 . 0 0 "[ . 1 .]" 1
764 1 16 GLU H 1 17 PHE H 2.437 . 3.180 2.355 2.255 2.447 . 0 0 "[ . 1 .]" 1
765 1 15 THR H 1 17 PHE H 4.345 . 6.705 3.962 3.859 4.080 . 0 0 "[ . 1 .]" 1
766 1 17 PHE H 1 17 PHE QD 3.716 . 5.442 2.455 2.116 2.919 . 0 0 "[ . 1 .]" 1
767 1 16 GLU HA 1 17 PHE H 3.119 . 4.335 3.555 3.542 3.567 . 0 0 "[ . 1 .]" 1
768 1 17 PHE H 1 17 PHE HA 2.951 . 4.040 2.919 2.887 2.940 . 0 0 "[ . 1 .]" 1
769 1 17 PHE H 1 17 PHE HB2 2.629 . 3.493 2.453 2.391 2.520 . 0 0 "[ . 1 .]" 1
770 1 17 PHE H 1 17 PHE HB3 3.718 . 5.446 3.657 3.614 3.707 . 0 0 "[ . 1 .]" 1
771 1 16 GLU HB3 1 17 PHE H 2.608 . 3.458 2.687 2.641 2.775 . 0 0 "[ . 1 .]" 1
772 1 16 GLU HB2 1 17 PHE H 3.772 . 5.550 3.913 3.804 3.965 . 0 0 "[ . 1 .]" 1
773 1 18 ALA H 1 18 ALA MB 2.244 . 2.873 2.234 2.222 2.245 . 0 0 "[ . 1 .]" 1
774 1 17 PHE HB2 1 18 ALA H 2.822 . 3.818 2.604 2.460 2.854 . 0 0 "[ . 1 .]" 1
775 1 17 PHE HB3 1 18 ALA H 3.492 . 5.016 3.518 3.410 3.759 . 0 0 "[ . 1 .]" 1
776 1 18 ALA H 1 18 ALA HA 2.512 . 3.301 2.773 2.756 2.788 . 0 0 "[ . 1 .]" 1
777 1 14 ASP HA 1 18 ALA H 3.046 . 4.205 3.714 3.412 4.124 . 0 0 "[ . 1 .]" 1
778 1 17 PHE HA 1 18 ALA H 3.617 . 5.253 3.562 3.534 3.575 . 0 0 "[ . 1 .]" 1
779 1 17 PHE QD 1 18 ALA H 5.353 . 8.935 4.140 3.996 4.311 . 0 0 "[ . 1 .]" 1
780 1 17 PHE H 1 18 ALA H 2.468 . 3.229 2.380 2.171 2.535 . 0 0 "[ . 1 .]" 1
781 1 18 ALA HA 1 20 ARG H 3.099 . 4.300 4.105 3.974 4.231 . 0 0 "[ . 1 .]" 1
782 1 18 ALA MB 1 20 ARG H 3.932 . 5.864 4.362 4.252 4.457 . 0 0 "[ . 1 .]" 1
783 1 21 ILE H 1 21 ILE HB 2.379 . 3.086 2.578 2.528 2.630 . 0 0 "[ . 1 .]" 1
784 1 21 ILE H 1 21 ILE HG13 2.283 . 2.935 2.056 1.976 2.135 . 0 0 "[ . 1 .]" 1
785 1 22 ALA H 1 22 ALA MB 2.082 . 2.624 2.220 2.209 2.230 . 0 0 "[ . 1 .]" 1
786 1 21 ILE H 1 22 ALA H 2.486 . 3.259 2.620 2.552 2.702 . 0 0 "[ . 1 .]" 1
787 1 87 ALA H 1 88 ARG H 2.566 . 3.389 2.665 2.529 2.755 . 0 0 "[ . 1 .]" 1
788 1 19 PRO HA 1 22 ALA H 2.836 . 3.842 3.539 3.450 3.681 . 0 0 "[ . 1 .]" 1
789 1 21 ILE HA 1 22 ALA H 3.300 . 4.661 3.539 3.517 3.549 . 0 0 "[ . 1 .]" 1
790 1 21 ILE HB 1 22 ALA H 2.437 . 3.180 2.428 2.313 2.507 . 0 0 "[ . 1 .]" 1
791 1 23 ARG H 1 24 ALA H 2.658 . 3.541 2.588 2.531 2.682 . 0 0 "[ . 1 .]" 1
792 1 22 ALA HA 1 23 ARG H 3.467 . 4.969 3.531 3.504 3.557 . 0 0 "[ . 1 .]" 1
793 1 21 ILE HA 1 23 ARG H 4.237 . 6.481 4.488 4.290 4.640 . 0 0 "[ . 1 .]" 1
794 1 22 ALA MB 1 23 ARG H 2.443 . 3.189 2.530 2.365 2.636 . 0 0 "[ . 1 .]" 1
795 1 25 ILE H 1 25 ILE HB 2.391 . 3.106 2.502 2.467 2.527 . 0 0 "[ . 1 .]" 1
796 1 24 ALA MB 1 25 ILE H 2.371 . 3.074 2.437 2.394 2.544 . 0 0 "[ . 1 .]" 1
797 1 25 ILE H 1 25 ILE MG 3.091 . 4.285 3.761 3.756 3.765 . 0 0 "[ . 1 .]" 1
798 1 27 ASP H 1 31 HIS H 4.195 . 6.395 4.918 4.803 5.054 . 0 0 "[ . 1 .]" 1
799 1 26 ALA HA 1 27 ASP H 3.306 . 4.672 3.517 3.492 3.538 . 0 0 "[ . 1 .]" 1
800 1 25 ILE HA 1 27 ASP H 3.747 . 5.502 4.348 4.173 4.471 . 0 0 "[ . 1 .]" 1
801 1 26 ALA MB 1 27 ASP H 2.448 . 3.197 2.554 2.478 2.618 . 0 0 "[ . 1 .]" 1
802 1 37 VAL H 1 37 VAL MG2 2.644 . 3.518 2.356 2.127 2.525 . 0 0 "[ . 1 .]" 1
803 1 27 ASP H 1 28 LEU H 2.519 . 3.312 2.531 2.491 2.587 . 0 0 "[ . 1 .]" 1
804 1 28 LEU H 1 28 LEU HA 2.650 . 3.528 2.837 2.817 2.863 . 0 0 "[ . 1 .]" 1
805 1 25 ILE HA 1 28 LEU H 3.236 . 4.545 3.348 3.237 3.442 . 0 0 "[ . 1 .]" 1
806 1 27 ASP HB3 1 28 LEU H 2.576 . 3.406 2.737 2.618 2.868 . 0 0 "[ . 1 .]" 1
807 1 28 LEU H 1 28 LEU HB3 2.678 . 3.575 2.704 2.418 3.611 0.036 9 0 "[ . 1 .]" 1
808 1 28 LEU H 1 28 LEU MD1 3.844 . 5.691 4.048 3.605 4.252 . 0 0 "[ . 1 .]" 1
809 1 28 LEU H 1 28 LEU MD2 3.708 . 5.427 4.004 3.221 4.237 . 0 0 "[ . 1 .]" 1
810 1 29 LEU H 1 31 HIS H 3.930 . 5.860 3.597 3.470 3.714 . 0 0 "[ . 1 .]" 1
811 1 28 LEU H 1 29 LEU H 2.474 . 3.239 2.522 2.432 2.582 . 0 0 "[ . 1 .]" 1
812 1 29 LEU H 1 29 LEU HA 2.863 . 3.888 2.904 2.867 2.923 . 0 0 "[ . 1 .]" 1
813 1 28 LEU HA 1 29 LEU H 3.352 . 4.757 3.501 3.458 3.516 . 0 0 "[ . 1 .]" 1
814 1 26 ALA HA 1 29 LEU H 3.256 . 4.581 3.581 3.436 3.678 . 0 0 "[ . 1 .]" 1
815 1 29 LEU H 1 29 LEU HB2 2.256 . 2.892 2.506 2.475 2.537 . 0 0 "[ . 1 .]" 1
816 1 29 LEU H 1 30 ASN H 2.495 . 3.273 2.550 2.381 2.762 . 0 0 "[ . 1 .]" 1
817 1 28 LEU H 1 30 ASN H 3.654 . 5.323 3.863 3.749 3.990 . 0 0 "[ . 1 .]" 1
818 1 30 ASN H 1 30 ASN HA 2.226 . 2.845 2.265 2.257 2.277 . 0 0 "[ . 1 .]" 1
819 1 27 ASP HA 1 30 ASN H 3.127 . 4.349 3.599 3.404 3.844 . 0 0 "[ . 1 .]" 1
820 1 30 ASN H 1 30 ASN HB3 3.897 . 5.795 4.040 3.729 4.109 . 0 0 "[ . 1 .]" 1
821 1 30 ASN H 1 30 ASN HB2 3.395 . 4.836 3.464 3.020 3.628 . 0 0 "[ . 1 .]" 1
822 1 126 LEU H 1 126 LEU QD 2.906 . 3.962 2.384 2.287 2.520 . 0 0 "[ . 1 .]" 1
823 1 31 HIS H 1 31 HIS HA 2.540 . 3.346 2.261 2.253 2.271 . 0 0 "[ . 1 .]" 1
824 1 31 HIS H 1 31 HIS HB3 4.005 . 6.010 4.083 4.065 4.114 . 0 0 "[ . 1 .]" 1
825 1 30 ASN H 1 31 HIS H 2.948 . 4.034 2.706 2.637 2.780 . 0 0 "[ . 1 .]" 1
826 1 31 HIS H 1 32 ARG H 3.085 . 4.275 2.758 2.680 2.810 . 0 0 "[ . 1 .]" 1
827 1 31 HIS H 1 31 HIS HD2 4.121 . 6.243 3.733 3.336 4.362 . 0 0 "[ . 1 .]" 1
828 1 30 ASN HA 1 31 HIS H 2.996 . 4.118 2.866 2.798 2.960 . 0 0 "[ . 1 .]" 1
829 1 26 ALA HA 1 31 HIS H 3.684 . 5.380 3.759 3.483 4.207 . 0 0 "[ . 1 .]" 1
830 1 29 LEU HB2 1 31 HIS H 3.073 . 4.253 3.186 2.876 3.373 . 0 0 "[ . 1 .]" 1
831 1 32 ARG H 1 32 ARG HA 2.681 . 3.580 2.883 2.841 2.925 . 0 0 "[ . 1 .]" 1
832 1 32 ARG H 1 32 ARG HB3 3.553 . 5.131 3.613 3.576 3.645 . 0 0 "[ . 1 .]" 1
833 1 32 ARG H 1 32 ARG HB2 2.235 . 2.859 2.406 2.313 2.523 . 0 0 "[ . 1 .]" 1
834 1 31 HIS HA 1 32 ARG H 3.006 . 4.136 3.000 2.866 3.137 . 0 0 "[ . 1 .]" 1
835 1 33 ALA H 1 33 ALA HA 2.713 . 3.633 2.934 2.896 2.943 . 0 0 "[ . 1 .]" 1
836 1 31 HIS H 1 33 ALA H 4.768 . 7.610 4.018 3.941 4.133 . 0 0 "[ . 1 .]" 1
837 1 32 ARG H 1 33 ALA H 2.250 . 2.883 2.339 2.193 2.486 . 0 0 "[ . 1 .]" 1
838 1 32 ARG HA 1 33 ALA H 3.028 . 4.174 3.390 3.180 3.455 . 0 0 "[ . 1 .]" 1
839 1 31 HIS HA 1 33 ALA H 3.597 . 5.214 3.232 2.946 3.602 . 0 0 "[ . 1 .]" 1
840 1 32 ARG HB3 1 33 ALA H 4.113 . 6.228 3.912 3.603 4.235 . 0 0 "[ . 1 .]" 1
841 1 32 ARG HB2 1 33 ALA H 2.957 . 4.050 3.081 2.844 3.641 . 0 0 "[ . 1 .]" 1
842 1 33 ALA HA 1 34 HIS H 2.220 . 2.836 2.309 2.215 2.422 . 0 0 "[ . 1 .]" 1
843 1 34 HIS H 1 35 THR H 4.340 . 6.694 4.455 4.403 4.496 . 0 0 "[ . 1 .]" 1
844 1 33 ALA MB 1 34 HIS H 2.667 . 3.556 2.631 2.440 2.814 . 0 0 "[ . 1 .]" 1
845 1 34 HIS HA 1 35 THR H 2.184 . 2.780 2.178 2.131 2.230 . 0 0 "[ . 1 .]" 1
846 1 35 THR H 1 35 THR HB 3.677 . 5.367 3.703 3.686 3.721 . 0 0 "[ . 1 .]" 1
847 1 26 ALA MB 1 35 THR H 3.553 . 5.131 3.532 3.079 3.861 . 0 0 "[ . 1 .]" 1
848 1 35 THR H 1 35 THR MG 2.830 . 3.831 2.809 2.760 2.892 . 0 0 "[ . 1 .]" 1
849 1 36 ASP H 1 50 ARG H 2.743 . 3.683 3.174 2.975 3.433 . 0 0 "[ . 1 .]" 1
850 1 35 THR HA 1 36 ASP H 2.331 . 3.010 2.231 2.197 2.283 . 0 0 "[ . 1 .]" 1
851 1 36 ASP H 1 49 VAL HA 3.828 . 5.660 4.396 4.193 4.703 . 0 0 "[ . 1 .]" 1
852 1 36 ASP H 1 36 ASP HA 2.702 . 3.615 2.933 2.912 2.944 . 0 0 "[ . 1 .]" 1
853 1 37 VAL H 1 37 VAL HA 2.995 . 4.116 2.904 2.870 2.939 . 0 0 "[ . 1 .]" 1
854 1 37 VAL H 1 37 VAL HB 2.428 . 3.165 2.524 2.446 2.648 . 0 0 "[ . 1 .]" 1
855 1 36 ASP HA 1 37 VAL H 2.474 . 3.239 2.157 2.115 2.265 . 0 0 "[ . 1 .]" 1
856 1 35 THR HB 1 36 ASP H 2.594 . 3.435 2.903 2.757 3.017 . 0 0 "[ . 1 .]" 1
857 1 103 TRP HB2 1 104 GLU H 3.430 . 4.901 2.802 2.650 2.921 . 0 0 "[ . 1 .]" 1
858 1 104 GLU H 1 104 GLU HG3 3.358 . 4.768 2.274 2.197 2.366 . 0 0 "[ . 1 .]" 1
859 1 103 TRP HB3 1 104 GLU H 2.822 . 3.817 3.735 3.545 3.826 0.009 4 0 "[ . 1 .]" 1
860 1 104 GLU H 1 104 GLU HB3 2.653 . 3.533 3.613 3.606 3.625 0.092 1 0 "[ . 1 .]" 1
861 1 104 GLU H 1 104 GLU HA 2.728 . 3.658 2.798 2.787 2.816 . 0 0 "[ . 1 .]" 1
862 1 35 THR MG 1 36 ASP H 3.727 . 5.463 3.739 3.593 3.834 . 0 0 "[ . 1 .]" 1
863 1 36 ASP H 1 49 VAL MG2 2.707 . 3.623 3.003 2.857 3.220 . 0 0 "[ . 1 .]" 1
864 1 50 ARG H 1 50 ARG HB2 3.074 . 4.255 3.681 3.660 3.707 . 0 0 "[ . 1 .]" 1
865 1 49 VAL MG1 1 50 ARG H 3.055 . 4.222 4.062 4.016 4.109 . 0 0 "[ . 1 .]" 1
866 1 49 VAL MG2 1 50 ARG H 2.618 . 3.475 2.807 2.714 2.906 . 0 0 "[ . 1 .]" 1
867 1 38 VAL H 1 38 VAL HB 2.516 . 3.307 2.552 2.480 2.638 . 0 0 "[ . 1 .]" 1
868 1 38 VAL H 1 38 VAL MG1 3.448 . 4.934 3.780 3.760 3.816 . 0 0 "[ . 1 .]" 1
869 1 38 VAL H 1 38 VAL MG2 2.254 . 2.889 2.169 2.014 2.377 . 0 0 "[ . 1 .]" 1
870 1 38 VAL H 1 39 GLY H 4.706 . 7.474 4.318 3.997 4.464 . 0 0 "[ . 1 .]" 1
871 1 39 GLY H 1 39 GLY HA3 2.878 . 3.913 2.321 2.288 2.384 . 0 0 "[ . 1 .]" 1
872 1 38 VAL MG1 1 39 GLY H 2.955 . 4.047 3.112 2.829 3.506 . 0 0 "[ . 1 .]" 1
873 1 38 VAL MG2 1 39 GLY H 3.912 . 5.825 4.203 4.095 4.344 . 0 0 "[ . 1 .]" 1
874 1 39 GLY H 1 40 TYR H 4.348 . 6.711 4.532 4.131 4.611 . 0 0 "[ . 1 .]" 1
875 1 40 TYR H 1 40 TYR QD 4.764 . 7.601 4.206 4.143 4.246 . 0 0 "[ . 1 .]" 1
876 1 39 GLY HA2 1 40 TYR H 2.645 . 3.519 2.427 2.171 2.943 . 0 0 "[ . 1 .]" 1
877 1 39 GLY HA3 1 40 TYR H 2.926 . 3.996 2.671 2.215 2.977 . 0 0 "[ . 1 .]" 1
878 1 40 TYR H 1 40 TYR HB3 2.857 . 3.877 2.538 2.396 2.679 . 0 0 "[ . 1 .]" 1
879 1 40 TYR H 1 40 TYR HB2 2.878 . 3.913 2.579 2.366 2.847 . 0 0 "[ . 1 .]" 1
880 1 83 ALA H 1 84 ASP H 3.874 . 5.750 2.803 2.535 3.103 . 0 0 "[ . 1 .]" 1
881 1 40 TYR QD 1 41 GLY H 3.915 . 5.831 3.660 3.260 3.948 . 0 0 "[ . 1 .]" 1
882 1 40 TYR HA 1 41 GLY H 2.291 . 2.947 2.149 2.122 2.227 . 0 0 "[ . 1 .]" 1
883 1 41 GLY H 1 41 GLY HA3 2.981 . 4.092 2.453 2.347 2.603 . 0 0 "[ . 1 .]" 1
884 1 34 HIS H 1 34 HIS HD2 4.661 . 7.376 4.974 4.764 5.136 . 0 0 "[ . 1 .]" 1
885 1 38 VAL MG1 1 48 GLN H 3.614 . 5.247 3.640 3.140 4.174 . 0 0 "[ . 1 .]" 1
886 1 38 VAL MG2 1 48 GLN H 3.793 . 5.591 4.076 3.835 4.448 . 0 0 "[ . 1 .]" 1
887 1 67 ASN H 1 116 GLN HE22 3.219 . 4.514 3.018 2.616 3.825 . 0 0 "[ . 1 .]" 1
888 1 67 ASN H 1 116 GLN HE21 3.510 . 5.050 3.838 2.923 4.688 . 0 0 "[ . 1 .]" 1
889 1 49 VAL H 1 49 VAL HA 2.761 . 3.714 2.941 2.938 2.946 . 0 0 "[ . 1 .]" 1
890 1 13 PHE H 1 14 ASP HB3 4.372 . 6.761 4.567 4.379 4.840 . 0 0 "[ . 1 .]" 1
891 1 49 VAL H 1 49 VAL HB 2.622 . 3.481 3.081 3.004 3.140 . 0 0 "[ . 1 .]" 1
892 1 49 VAL H 1 49 VAL MG1 2.363 . 3.061 2.108 2.050 2.174 . 0 0 "[ . 1 .]" 1
893 1 49 VAL H 1 49 VAL MG2 3.313 . 4.685 3.874 3.846 3.900 . 0 0 "[ . 1 .]" 1
894 1 49 VAL H 1 70 LEU HB3 3.480 . 4.994 4.352 4.212 4.486 . 0 0 "[ . 1 .]" 1
895 1 51 ILE H 1 68 LEU H 2.884 . 3.924 2.906 2.788 3.087 . 0 0 "[ . 1 .]" 1
896 1 51 ILE H 1 52 VAL H 3.929 . 5.858 4.248 4.194 4.315 . 0 0 "[ . 1 .]" 1
897 1 50 ARG HA 1 51 ILE H 2.300 . 2.961 2.152 2.112 2.176 . 0 0 "[ . 1 .]" 1
898 1 51 ILE H 1 69 ALA HA 3.431 . 4.902 3.785 3.616 4.043 . 0 0 "[ . 1 .]" 1
899 1 51 ILE H 1 51 ILE MG 3.525 . 5.079 3.858 3.846 3.866 . 0 0 "[ . 1 .]" 1
900 1 67 ASN H 1 68 LEU H 3.495 . 5.022 3.789 3.543 4.378 . 0 0 "[ . 1 .]" 1
901 1 35 THR HA 1 52 VAL H 3.335 . 4.725 3.239 3.019 3.394 . 0 0 "[ . 1 .]" 1
902 1 52 VAL H 1 52 VAL HA 2.768 . 3.726 2.944 2.940 2.948 . 0 0 "[ . 1 .]" 1
903 1 51 ILE HA 1 52 VAL H 2.141 . 2.714 2.137 2.119 2.146 . 0 0 "[ . 1 .]" 1
904 1 67 ASN H 1 67 ASN HB3 2.842 . 3.852 2.891 2.822 2.986 . 0 0 "[ . 1 .]" 1
905 1 52 VAL H 1 52 VAL HB 2.739 . 3.677 2.672 2.615 2.719 . 0 0 "[ . 1 .]" 1
906 1 35 THR MG 1 52 VAL H 2.952 . 4.042 3.876 3.646 4.137 0.095 7 0 "[ . 1 .]" 1
907 1 52 VAL H 1 52 VAL MG2 2.465 . 3.224 2.586 2.515 2.687 . 0 0 "[ . 1 .]" 1
908 1 51 ILE MG 1 52 VAL H 2.519 . 3.312 2.932 2.789 3.013 . 0 0 "[ . 1 .]" 1
909 1 53 ALA H 1 53 ALA MB 2.490 . 3.265 2.444 2.334 2.599 . 0 0 "[ . 1 .]" 1
910 1 52 VAL HB 1 53 ALA H 3.432 . 4.904 4.011 3.906 4.170 . 0 0 "[ . 1 .]" 1
911 1 53 ALA H 1 67 ASN HA 3.964 . 5.928 4.049 3.745 4.198 . 0 0 "[ . 1 .]" 1
912 1 56 ALA H 1 56 ALA MB 2.603 . 3.450 2.308 2.235 2.867 . 0 0 "[ . 1 .]" 1
913 1 56 ALA H 1 56 ALA HA 2.844 . 3.855 2.835 2.261 2.925 . 0 0 "[ . 1 .]" 1
914 1 55 HIS HA 1 56 ALA H 2.567 . 3.391 2.464 2.113 3.375 . 0 0 "[ . 1 .]" 1
915 1 56 ALA HA 1 57 GLU H 2.722 . 3.648 2.789 2.152 3.536 . 0 0 "[ . 1 .]" 1
916 1 57 GLU H 1 57 GLU HB2 2.465 . 3.225 2.721 2.372 3.675 0.450 15 0 "[ . 1 .]" 1
917 1 56 ALA MB 1 57 GLU H 2.683 . 3.583 2.978 1.919 3.696 0.113 15 0 "[ . 1 .]" 1
918 1 117 ALA H 1 117 ALA HA 2.876 . 3.910 2.904 2.881 2.928 . 0 0 "[ . 1 .]" 1
919 1 59 VAL H 1 59 VAL HB 2.914 . 3.975 2.991 2.530 3.807 . 0 0 "[ . 1 .]" 1
920 1 58 HIS HA 1 59 VAL H 2.816 . 3.807 2.676 2.186 3.470 . 0 0 "[ . 1 .]" 1
921 1 59 VAL H 1 60 ARG H 3.232 . 4.538 3.708 1.905 4.614 0.076 7 0 "[ . 1 .]" 1
922 1 59 VAL HA 1 60 ARG H 2.450 . 3.200 2.506 2.129 3.568 0.368 12 0 "[ . 1 .]" 1
923 1 59 VAL HB 1 60 ARG H 3.263 . 4.594 3.781 2.431 4.439 . 0 0 "[ . 1 .]" 1
924 1 60 ARG HA 1 61 GLY H 2.565 . 3.387 2.697 2.162 3.556 0.169 8 0 "[ . 1 .]" 1
925 1 61 GLY H 1 61 GLY HA3 2.854 . 3.872 2.645 2.305 2.935 . 0 0 "[ . 1 .]" 1
926 1 60 ARG HB3 1 61 GLY H 3.740 . 5.489 3.696 1.980 4.644 0.011 4 0 "[ . 1 .]" 1
927 1 62 TYR H 1 62 TYR QD 4.047 . 6.095 2.929 2.496 3.235 . 0 0 "[ . 1 .]" 1
928 1 61 GLY HA2 1 62 TYR H 2.766 . 3.723 3.274 2.370 3.567 . 0 0 "[ . 1 .]" 1
929 1 61 GLY HA3 1 62 TYR H 4.112 . 6.226 2.416 2.164 2.764 . 0 0 "[ . 1 .]" 1
930 1 62 TYR H 1 62 TYR HB2 4.118 . 6.237 2.585 2.449 2.715 . 0 0 "[ . 1 .]" 1
931 1 62 TYR H 1 62 TYR HB3 2.970 . 4.073 3.703 3.611 3.739 . 0 0 "[ . 1 .]" 1
932 1 63 ALA H 1 63 ALA HA 2.862 . 3.886 2.905 2.888 2.942 . 0 0 "[ . 1 .]" 1
933 1 63 ALA H 1 63 ALA MB 2.322 . 2.996 2.296 2.266 2.396 . 0 0 "[ . 1 .]" 1
934 1 62 TYR HB3 1 63 ALA H 3.742 . 5.492 3.099 2.606 3.383 . 0 0 "[ . 1 .]" 1
935 1 62 TYR HB2 1 63 ALA H 2.929 . 4.001 4.026 3.789 4.241 0.240 7 0 "[ . 1 .]" 1
936 1 62 TYR HA 1 63 ALA H 2.591 . 3.430 2.209 2.139 2.348 . 0 0 "[ . 1 .]" 1
937 1 62 TYR QD 1 63 ALA H 5.165 . 8.500 4.084 3.746 4.246 . 0 0 "[ . 1 .]" 1
938 1 64 HIS H 1 64 HIS HA 2.958 . 4.052 2.936 2.919 2.950 . 0 0 "[ . 1 .]" 1
939 1 63 ALA HA 1 64 HIS H 2.700 . 3.611 2.795 2.556 3.342 . 0 0 "[ . 1 .]" 1
940 1 64 HIS H 1 64 HIS HB3 3.660 . 5.335 3.781 3.691 3.888 . 0 0 "[ . 1 .]" 1
941 1 62 TYR HB2 1 64 HIS H 3.587 . 5.196 3.332 3.032 3.918 . 0 0 "[ . 1 .]" 1
942 1 64 HIS H 1 64 HIS HB2 2.606 . 3.455 2.660 2.496 2.830 . 0 0 "[ . 1 .]" 1
943 1 63 ALA MB 1 64 HIS H 3.104 . 4.308 3.639 3.173 3.710 . 0 0 "[ . 1 .]" 1
944 1 64 HIS H 1 64 HIS HD2 3.308 . 4.676 3.382 2.992 3.767 . 0 0 "[ . 1 .]" 1
945 1 63 ALA H 1 64 HIS H 3.035 . 4.187 3.110 2.360 3.543 . 0 0 "[ . 1 .]" 1
946 1 64 HIS H 1 116 GLN H 3.585 . 5.192 3.898 3.593 4.380 . 0 0 "[ . 1 .]" 1
947 1 62 TYR HB3 1 64 HIS H 3.468 . 4.972 3.207 2.655 3.573 . 0 0 "[ . 1 .]" 1
948 1 66 LEU H 1 67 ASN H 4.737 . 7.542 4.460 4.364 4.509 . 0 0 "[ . 1 .]" 1
949 1 65 PRO HA 1 66 LEU H 2.432 . 3.171 2.215 2.135 2.294 . 0 0 "[ . 1 .]" 1
950 1 66 LEU H 1 66 LEU HB2 2.722 . 3.648 2.468 2.288 2.710 . 0 0 "[ . 1 .]" 1
951 1 66 LEU H 1 66 LEU HB3 2.467 . 3.228 2.547 2.310 2.769 . 0 0 "[ . 1 .]" 1
952 1 66 LEU H 1 66 LEU MD2 3.817 . 5.638 4.227 4.176 4.291 . 0 0 "[ . 1 .]" 1
953 1 66 LEU HA 1 67 ASN H 2.240 . 2.867 2.122 2.103 2.140 . 0 0 "[ . 1 .]" 1
954 1 67 ASN H 1 67 ASN HB2 3.367 . 4.784 3.216 3.078 3.338 . 0 0 "[ . 1 .]" 1
955 1 66 LEU HB2 1 67 ASN H 3.795 . 5.596 4.327 4.178 4.426 . 0 0 "[ . 1 .]" 1
956 1 67 ASN HB2 1 67 ASN HD21 3.491 . 5.014 3.498 3.481 3.551 . 0 0 "[ . 1 .]" 1
957 1 67 ASN HA 1 68 LEU H 2.241 . 2.869 2.201 2.145 2.309 . 0 0 "[ . 1 .]" 1
958 1 50 ARG HA 1 68 LEU H 4.416 . 6.853 4.485 4.157 4.729 . 0 0 "[ . 1 .]" 1
959 1 67 ASN HB2 1 68 LEU H 4.798 . 7.675 4.487 4.124 4.578 . 0 0 "[ . 1 .]" 1
960 1 51 ILE HB 1 68 LEU H 3.207 . 4.492 3.303 3.021 4.018 . 0 0 "[ . 1 .]" 1
961 1 69 ALA H 1 70 LEU H 4.141 . 6.284 4.225 4.123 4.471 . 0 0 "[ . 1 .]" 1
962 1 69 ALA H 1 123 LEU H 2.901 . 3.953 3.415 3.157 3.830 . 0 0 "[ . 1 .]" 1
963 1 69 ALA H 1 121 VAL H 4.162 . 6.328 4.708 4.548 4.835 . 0 0 "[ . 1 .]" 1
964 1 68 LEU HA 1 69 ALA H 2.105 . 2.659 2.147 2.132 2.179 . 0 0 "[ . 1 .]" 1
965 1 69 ALA H 1 69 ALA HA 2.889 . 3.932 2.951 2.947 2.954 . 0 0 "[ . 1 .]" 1
966 1 69 ALA H 1 122 LEU HA 2.558 . 3.376 2.546 2.397 2.671 . 0 0 "[ . 1 .]" 1
967 1 68 LEU HB2 1 69 ALA H 3.355 . 4.762 4.124 4.079 4.162 . 0 0 "[ . 1 .]" 1
968 1 69 ALA H 1 69 ALA MB 2.331 . 3.010 2.429 2.413 2.444 . 0 0 "[ . 1 .]" 1
969 1 69 ALA H 1 122 LEU MD2 2.432 . 3.172 2.742 2.563 2.846 . 0 0 "[ . 1 .]" 1
970 1 72 TRP HE1 1 127 ASP H 4.320 . 6.653 4.675 4.498 5.097 . 0 0 "[ . 1 .]" 1
971 1 70 LEU H 1 71 THR H 4.292 . 6.594 4.381 4.253 4.472 . 0 0 "[ . 1 .]" 1
972 1 71 THR H 1 125 GLY H 4.030 . 6.060 5.199 4.945 5.427 . 0 0 "[ . 1 .]" 1
973 1 70 LEU HA 1 71 THR H 2.083 . 2.625 2.162 2.142 2.184 . 0 0 "[ . 1 .]" 1
974 1 71 THR H 1 71 THR HB 3.830 . 5.664 3.695 3.137 3.814 . 0 0 "[ . 1 .]" 1
975 1 71 THR H 1 124 GLY HA2 3.220 . 4.516 3.431 3.305 3.608 . 0 0 "[ . 1 .]" 1
976 1 70 LEU HB2 1 71 THR H 4.465 . 6.957 4.341 4.281 4.387 . 0 0 "[ . 1 .]" 1
977 1 71 THR H 1 71 THR MG 2.702 . 3.615 2.902 2.266 3.245 . 0 0 "[ . 1 .]" 1
978 1 70 LEU HB3 1 71 THR H 3.032 . 4.181 3.515 3.364 3.649 . 0 0 "[ . 1 .]" 1
979 1 70 LEU MD2 1 71 THR H 3.879 . 5.759 3.690 3.576 3.804 . 0 0 "[ . 1 .]" 1
980 1 71 THR H 1 126 LEU QD 2.736 . 3.672 2.866 2.625 3.090 . 0 0 "[ . 1 .]" 1
981 1 72 TRP H 1 73 ASN H 4.714 . 7.492 4.436 4.408 4.461 . 0 0 "[ . 1 .]" 1
982 1 73 ASN H 1 73 ASN HA 2.244 . 2.874 2.797 2.779 2.850 . 0 0 "[ . 1 .]" 1
983 1 72 TRP HB2 1 73 ASN H 3.282 . 4.629 3.878 3.788 3.950 . 0 0 "[ . 1 .]" 1
984 1 73 ASN H 1 73 ASN HB2 2.402 . 3.123 2.398 2.314 2.504 . 0 0 "[ . 1 .]" 1
985 1 73 ASN H 1 126 LEU HB2 3.891 . 5.783 4.319 4.159 4.572 . 0 0 "[ . 1 .]" 1
986 1 73 ASN HA 1 74 THR H 2.465 . 3.225 2.141 2.119 2.170 . 0 0 "[ . 1 .]" 1
987 1 74 THR H 1 74 THR HB 2.906 . 3.961 2.676 2.525 2.832 . 0 0 "[ . 1 .]" 1
988 1 73 ASN HB3 1 74 THR H 3.557 . 5.138 3.232 2.999 3.531 . 0 0 "[ . 1 .]" 1
989 1 74 THR H 1 74 THR MG 4.380 . 6.778 3.626 2.172 3.751 . 0 0 "[ . 1 .]" 1
990 1 74 THR H 1 75 ASP H 3.343 . 4.740 2.711 2.643 2.753 . 0 0 "[ . 1 .]" 1
991 1 75 ASP H 1 77 ILE H 3.501 . 5.033 4.029 3.913 4.197 . 0 0 "[ . 1 .]" 1
992 1 74 THR HB 1 75 ASP H 2.797 . 3.775 2.959 2.791 4.118 0.343 14 0 "[ . 1 .]" 1
993 1 74 THR HA 1 75 ASP H 3.513 . 5.056 3.498 3.473 3.522 . 0 0 "[ . 1 .]" 1
994 1 75 ASP H 1 76 GLU H 2.765 . 3.721 2.693 2.526 2.815 . 0 0 "[ . 1 .]" 1
995 1 75 ASP HA 1 76 GLU H 3.724 . 5.458 3.531 3.512 3.550 . 0 0 "[ . 1 .]" 1
996 1 73 ASN HB2 1 77 ILE H 3.718 . 5.446 4.610 4.304 4.892 . 0 0 "[ . 1 .]" 1
997 1 77 ILE H 1 77 ILE HB 2.309 . 2.975 2.586 2.558 2.613 . 0 0 "[ . 1 .]" 1
998 1 77 ILE H 1 77 ILE HG12 3.718 . 5.446 3.209 3.146 3.254 . 0 0 "[ . 1 .]" 1
999 1 75 ASP HA 1 78 GLU H 3.241 . 4.554 3.431 3.252 3.649 . 0 0 "[ . 1 .]" 1
1000 1 78 GLU H 1 78 GLU HA 2.917 . 3.980 2.812 2.787 2.841 . 0 0 "[ . 1 .]" 1
1001 1 77 ILE HB 1 78 GLU H 2.583 . 3.417 2.530 2.434 2.590 . 0 0 "[ . 1 .]" 1
1002 1 77 ILE MG 1 78 GLU H 3.737 . 5.483 3.396 3.245 3.495 . 0 0 "[ . 1 .]" 1
1003 1 78 GLU H 1 79 ARG H 2.773 . 3.734 2.643 2.533 2.743 . 0 0 "[ . 1 .]" 1
1004 1 79 ARG H 1 79 ARG HA 2.663 . 3.550 2.803 2.754 2.836 . 0 0 "[ . 1 .]" 1
1005 1 78 GLU HA 1 79 ARG H 3.376 . 4.801 3.516 3.492 3.541 . 0 0 "[ . 1 .]" 1
1006 1 77 ILE HA 1 79 ARG H 3.770 . 5.546 4.353 4.258 4.488 . 0 0 "[ . 1 .]" 1
1007 1 80 LEU H 1 80 LEU MD1 3.912 . 5.825 3.724 3.612 3.782 . 0 0 "[ . 1 .]" 1
1008 1 80 LEU H 1 80 LEU HA 2.792 . 3.766 2.831 2.813 2.853 . 0 0 "[ . 1 .]" 1
1009 1 77 ILE HA 1 80 LEU H 3.272 . 4.610 3.461 3.315 3.671 . 0 0 "[ . 1 .]" 1
1010 1 80 LEU H 1 81 MET HG2 3.894 . 5.789 4.870 3.761 5.612 . 0 0 "[ . 1 .]" 1
1011 1 79 ARG HB2 1 80 LEU H 2.829 . 3.830 3.847 3.019 4.064 0.234 10 0 "[ . 1 .]" 1
1012 1 80 LEU H 1 80 LEU HB3 2.687 . 3.589 3.604 3.593 3.608 0.019 7 0 "[ . 1 .]" 1
1013 1 80 LEU H 1 80 LEU MD2 3.677 . 5.367 3.217 2.993 3.381 . 0 0 "[ . 1 .]" 1
1014 1 80 LEU H 1 81 MET H 2.594 . 3.435 2.627 2.545 2.682 . 0 0 "[ . 1 .]" 1
1015 1 81 MET H 1 82 GLU H 2.701 . 3.613 2.504 2.327 2.684 . 0 0 "[ . 1 .]" 1
1016 1 79 ARG HA 1 81 MET H 3.406 . 4.856 3.664 3.503 3.842 . 0 0 "[ . 1 .]" 1
1017 1 81 MET H 1 81 MET HG3 3.410 . 4.863 3.150 2.188 3.956 . 0 0 "[ . 1 .]" 1
1018 1 81 MET H 1 81 MET HB3 2.617 . 3.473 3.603 3.523 3.650 0.177 7 0 "[ . 1 .]" 1
1019 1 80 LEU HB2 1 81 MET H 3.576 . 5.174 3.216 3.033 3.352 . 0 0 "[ . 1 .]" 1
1020 1 80 LEU HB3 1 81 MET H 3.730 . 5.470 4.063 3.940 4.154 . 0 0 "[ . 1 .]" 1
1021 1 79 ARG HA 1 82 GLU H 3.491 . 5.014 3.813 3.583 4.155 . 0 0 "[ . 1 .]" 1
1022 1 82 GLU H 1 82 GLU HB2 2.482 . 3.252 2.479 2.241 2.826 . 0 0 "[ . 1 .]" 1
1023 1 82 GLU HA 1 83 ALA H 2.935 . 4.012 2.408 2.298 2.527 . 0 0 "[ . 1 .]" 1
1024 1 82 GLU HB3 1 83 ALA H 2.981 . 4.092 2.659 2.235 3.587 . 0 0 "[ . 1 .]" 1
1025 1 82 GLU HB2 1 83 ALA H 4.333 . 6.680 3.756 3.475 4.210 . 0 0 "[ . 1 .]" 1
1026 1 83 ALA H 1 83 ALA MB 2.577 . 3.407 2.239 2.222 2.251 . 0 0 "[ . 1 .]" 1
1027 1 84 ASP H 1 84 ASP HA 2.478 . 3.245 2.828 2.795 2.862 . 0 0 "[ . 1 .]" 1
1028 1 84 ASP H 1 85 GLY HA2 4.578 . 7.198 5.151 5.013 5.261 . 0 0 "[ . 1 .]" 1
1029 1 83 ALA HA 1 84 ASP H 3.338 . 4.731 3.546 3.479 3.601 . 0 0 "[ . 1 .]" 1
1030 1 84 ASP H 1 84 ASP HB2 3.616 . 5.250 2.573 2.393 3.649 . 0 0 "[ . 1 .]" 1
1031 1 84 ASP H 1 84 ASP HB3 3.258 . 4.585 3.411 2.575 3.624 . 0 0 "[ . 1 .]" 1
1032 1 83 ALA MB 1 84 ASP H 2.625 . 3.487 2.459 2.187 2.813 . 0 0 "[ . 1 .]" 1
1033 1 85 GLY H 1 85 GLY HA2 2.413 . 3.141 2.871 2.847 2.892 . 0 0 "[ . 1 .]" 1
1034 1 85 GLY H 1 85 GLY HA3 2.937 . 4.015 2.302 2.289 2.316 . 0 0 "[ . 1 .]" 1
1035 1 86 ALA H 1 86 ALA MB 2.133 . 2.702 2.216 2.203 2.225 . 0 0 "[ . 1 .]" 1
1036 1 85 GLY HA3 1 86 ALA H 3.875 . 5.752 2.676 2.594 2.733 . 0 0 "[ . 1 .]" 1
1037 1 86 ALA H 1 86 ALA HA 2.563 . 3.384 2.752 2.739 2.785 . 0 0 "[ . 1 .]" 1
1038 1 84 ASP HA 1 86 ALA H 3.911 . 5.823 4.744 4.605 4.948 . 0 0 "[ . 1 .]" 1
1039 1 86 ALA H 1 87 ALA H 2.782 . 3.750 2.809 2.652 2.875 . 0 0 "[ . 1 .]" 1
1040 1 84 ASP H 1 86 ALA H 4.285 . 6.580 4.599 4.214 4.960 . 0 0 "[ . 1 .]" 1
1041 1 87 ALA HA 1 88 ARG H 3.202 . 4.484 3.514 3.483 3.538 . 0 0 "[ . 1 .]" 1
1042 1 85 GLY HA3 1 88 ARG H 3.101 . 4.303 4.419 4.305 4.580 0.277 2 0 "[ . 1 .]" 1
1043 1 87 ALA MB 1 88 ARG H 2.668 . 3.558 2.654 2.571 2.717 . 0 0 "[ . 1 .]" 1
1044 1 89 PHE QD 1 90 GLU H 4.547 . 7.131 3.741 3.473 4.029 . 0 0 "[ . 1 .]" 1
1045 1 87 ALA HA 1 90 GLU H 2.810 . 3.797 3.472 3.271 3.737 . 0 0 "[ . 1 .]" 1
1046 1 90 GLU H 1 90 GLU HA 2.771 . 3.731 2.820 2.792 2.841 . 0 0 "[ . 1 .]" 1
1047 1 89 PHE HB2 1 90 GLU H 3.918 . 5.837 3.881 3.788 3.957 . 0 0 "[ . 1 .]" 1
1048 1 89 PHE HB3 1 90 GLU H 2.732 . 3.665 2.619 2.509 2.705 . 0 0 "[ . 1 .]" 1
1049 1 90 GLU H 1 90 GLU HB2 2.423 . 3.157 2.429 2.097 2.546 . 0 0 "[ . 1 .]" 1
1050 1 90 GLU H 1 91 ARG H 2.707 . 3.623 2.617 2.536 2.741 . 0 0 "[ . 1 .]" 1
1051 1 89 PHE HA 1 91 ARG H 4.065 . 6.131 4.363 4.246 4.456 . 0 0 "[ . 1 .]" 1
1052 1 91 ARG H 1 91 ARG HA 2.830 . 3.831 2.831 2.804 2.868 . 0 0 "[ . 1 .]" 1
1053 1 88 ARG HA 1 91 ARG H 3.005 . 4.134 3.406 3.053 3.739 . 0 0 "[ . 1 .]" 1
1054 1 90 GLU HG3 1 91 ARG H 4.751 . 7.573 4.879 4.266 5.119 . 0 0 "[ . 1 .]" 1
1055 1 91 ARG H 1 91 ARG HB2 2.332 . 3.012 2.518 2.387 2.705 . 0 0 "[ . 1 .]" 1
1056 1 91 ARG H 1 91 ARG HB3 2.695 . 3.603 2.508 2.294 2.702 . 0 0 "[ . 1 .]" 1
1057 1 91 ARG H 1 92 TYR H 2.621 . 3.479 2.546 2.448 2.651 . 0 0 "[ . 1 .]" 1
1058 1 92 TYR H 1 92 TYR QD 4.576 . 7.194 4.210 4.195 4.221 . 0 0 "[ . 1 .]" 1
1059 1 89 PHE HA 1 92 TYR H 3.194 . 4.469 3.315 3.158 3.491 . 0 0 "[ . 1 .]" 1
1060 1 92 TYR H 1 92 TYR HA 2.842 . 3.852 2.865 2.850 2.878 . 0 0 "[ . 1 .]" 1
1061 1 91 ARG HB2 1 92 TYR H 2.812 . 3.800 4.005 3.905 4.177 0.377 5 0 "[ . 1 .]" 1
1062 1 91 ARG HB3 1 92 TYR H 3.905 . 5.811 2.903 2.760 3.244 . 0 0 "[ . 1 .]" 1
1063 1 93 LEU H 1 94 ALA H 2.776 . 3.739 2.652 2.604 2.746 . 0 0 "[ . 1 .]" 1
1064 1 92 TYR QD 1 93 LEU H 3.940 . 5.881 3.887 3.634 4.173 . 0 0 "[ . 1 .]" 1
1065 1 90 GLU HA 1 93 LEU H 2.899 . 3.950 3.409 3.268 3.550 . 0 0 "[ . 1 .]" 1
1066 1 93 LEU H 1 93 LEU HA 2.696 . 3.605 2.814 2.803 2.826 . 0 0 "[ . 1 .]" 1
1067 1 92 TYR HB3 1 93 LEU H 2.594 . 3.435 2.744 2.625 2.896 . 0 0 "[ . 1 .]" 1
1068 1 93 LEU H 1 93 LEU HB2 2.483 . 3.254 2.525 2.473 2.555 . 0 0 "[ . 1 .]" 1
1069 1 93 LEU H 1 93 LEU HG 2.649 . 3.526 2.257 2.184 2.347 . 0 0 "[ . 1 .]" 1
1070 1 94 ALA H 1 94 ALA HA 2.597 . 3.440 2.830 2.804 2.860 . 0 0 "[ . 1 .]" 1
1071 1 90 GLU HA 1 94 ALA H 4.129 . 6.260 4.536 4.287 5.135 . 0 0 "[ . 1 .]" 1
1072 1 93 LEU HA 1 94 ALA H 3.218 . 4.512 3.523 3.501 3.547 . 0 0 "[ . 1 .]" 1
1073 1 93 LEU HB2 1 94 ALA H 2.657 . 3.540 2.587 2.462 2.730 . 0 0 "[ . 1 .]" 1
1074 1 93 LEU HB3 1 94 ALA H 3.383 . 4.813 3.644 3.498 3.779 . 0 0 "[ . 1 .]" 1
1075 1 93 LEU H 1 95 ALA H 3.366 . 4.782 3.867 3.793 3.961 . 0 0 "[ . 1 .]" 1
1076 1 95 ALA H 1 96 LEU H 2.082 . 2.624 2.301 2.228 2.370 . 0 0 "[ . 1 .]" 1
1077 1 95 ALA H 1 95 ALA HA 2.704 . 3.618 2.926 2.917 2.937 . 0 0 "[ . 1 .]" 1
1078 1 95 ALA H 1 96 LEU HG 3.576 . 5.174 3.779 3.684 3.864 . 0 0 "[ . 1 .]" 1
1079 1 95 ALA HA 1 96 LEU H 3.285 . 4.634 3.281 3.203 3.349 . 0 0 "[ . 1 .]" 1
1080 1 94 ALA HA 1 96 LEU H 3.530 . 5.088 3.878 3.782 3.941 . 0 0 "[ . 1 .]" 1
1081 1 96 LEU H 1 96 LEU HA 2.611 . 3.463 2.749 2.728 2.767 . 0 0 "[ . 1 .]" 1
1082 1 93 LEU HA 1 96 LEU H 2.868 . 3.896 3.509 3.433 3.600 . 0 0 "[ . 1 .]" 1
1083 1 96 LEU H 1 96 LEU HB2 3.388 . 4.823 2.464 2.412 2.522 . 0 0 "[ . 1 .]" 1
1084 1 96 LEU H 1 96 LEU MD1 3.211 . 4.500 3.596 3.564 3.653 . 0 0 "[ . 1 .]" 1
1085 1 95 ALA MB 1 96 LEU H 2.896 . 3.945 3.272 3.167 3.403 . 0 0 "[ . 1 .]" 1
1086 1 96 LEU H 1 96 LEU MD2 3.513 . 5.056 3.502 3.331 3.630 . 0 0 "[ . 1 .]" 1
1087 1 117 ALA H 1 118 ASP H 2.694 . 3.601 2.441 2.279 2.750 . 0 0 "[ . 1 .]" 1
1088 1 98 ARG H 1 99 LYS H 2.385 . 3.096 2.452 2.368 2.567 . 0 0 "[ . 1 .]" 1
1089 1 95 ALA HA 1 98 ARG H 3.319 . 4.696 3.391 3.271 3.616 . 0 0 "[ . 1 .]" 1
1090 1 98 ARG H 1 98 ARG HA 2.697 . 3.606 2.873 2.851 2.887 . 0 0 "[ . 1 .]" 1
1091 1 97 PRO HG2 1 98 ARG H 2.332 . 3.011 2.534 2.401 2.609 . 0 0 "[ . 1 .]" 1
1092 1 95 ALA MB 1 98 ARG H 3.217 . 4.511 4.072 3.862 4.252 . 0 0 "[ . 1 .]" 1
1093 1 98 ARG HA 1 99 LYS H 3.572 . 5.166 3.516 3.495 3.538 . 0 0 "[ . 1 .]" 1
1094 1 99 LYS H 1 100 LEU H 2.689 . 3.593 2.456 2.351 2.609 . 0 0 "[ . 1 .]" 1
1095 1 100 LEU H 1 102 ALA H 3.820 . 5.644 4.013 3.914 4.219 . 0 0 "[ . 1 .]" 1
1096 1 99 LYS H 1 101 ALA H 3.919 . 5.839 4.129 4.045 4.217 . 0 0 "[ . 1 .]" 1
1097 1 101 ALA H 1 102 ALA H 2.706 . 3.621 2.639 2.559 2.739 . 0 0 "[ . 1 .]" 1
1098 1 102 ALA H 1 102 ALA HA 2.765 . 3.721 2.825 2.804 2.860 . 0 0 "[ . 1 .]" 1
1099 1 98 ARG HA 1 102 ALA H 3.987 . 5.974 4.363 4.155 4.689 . 0 0 "[ . 1 .]" 1
1100 1 96 LEU HA 1 99 LYS H 3.129 . 4.353 3.482 3.209 3.601 . 0 0 "[ . 1 .]" 1
1101 1 102 ALA H 1 103 TRP HB2 4.643 . 7.338 4.802 4.689 4.892 . 0 0 "[ . 1 .]" 1
1102 1 99 LYS HA 1 102 ALA H 3.020 . 4.160 3.354 3.148 3.460 . 0 0 "[ . 1 .]" 1
1103 1 99 LYS H 1 99 LYS HA 2.901 . 3.953 2.858 2.834 2.878 . 0 0 "[ . 1 .]" 1
1104 1 102 ALA H 1 102 ALA MB 2.028 . 2.542 2.235 2.222 2.250 . 0 0 "[ . 1 .]" 1
1105 1 99 LYS H 1 99 LYS HB2 2.201 . 2.806 2.354 2.140 2.490 . 0 0 "[ . 1 .]" 1
1106 1 99 LYS H 1 99 LYS HB3 3.244 . 4.559 3.478 2.777 3.607 . 0 0 "[ . 1 .]" 1
1107 1 101 ALA H 1 101 ALA HA 2.759 . 3.710 2.809 2.788 2.821 . 0 0 "[ . 1 .]" 1
1108 1 98 ARG HA 1 101 ALA H 3.109 . 4.317 3.583 3.334 3.855 . 0 0 "[ . 1 .]" 1
1109 1 100 LEU HA 1 101 ALA H 3.568 . 5.160 3.547 3.531 3.554 . 0 0 "[ . 1 .]" 1
1110 1 99 LYS HA 1 101 ALA H 4.032 . 6.064 4.473 4.366 4.639 . 0 0 "[ . 1 .]" 1
1111 1 101 ALA H 1 101 ALA MB 2.042 . 2.563 2.227 2.222 2.233 . 0 0 "[ . 1 .]" 1
1112 1 102 ALA HA 1 103 TRP H 3.408 . 4.860 3.543 3.525 3.561 . 0 0 "[ . 1 .]" 1
1113 1 103 TRP H 1 104 GLU H 2.676 . 3.571 2.608 2.542 2.657 . 0 0 "[ . 1 .]" 1
1114 1 104 GLU H 1 105 ASN H 2.795 . 3.772 2.762 2.714 2.814 . 0 0 "[ . 1 .]" 1
1115 1 101 ALA HA 1 104 GLU H 3.437 . 4.914 3.484 3.340 3.649 . 0 0 "[ . 1 .]" 1
1116 1 104 GLU H 1 104 GLU HG2 2.553 . 3.368 3.236 3.089 3.376 0.008 13 0 "[ . 1 .]" 1
1117 1 103 TRP H 1 105 ASN H 4.463 . 6.952 4.365 4.263 4.420 . 0 0 "[ . 1 .]" 1
1118 1 105 ASN H 1 106 ALA H 2.736 . 3.672 2.634 2.555 2.677 . 0 0 "[ . 1 .]" 1
1119 1 105 ASN H 1 105 ASN HD21 4.832 . 7.751 4.294 3.170 4.645 . 0 0 "[ . 1 .]" 1
1120 1 105 ASN H 1 105 ASN HA 2.882 . 3.920 2.828 2.811 2.856 . 0 0 "[ . 1 .]" 1
1121 1 105 ASN H 1 106 ALA HA 4.550 . 7.137 5.229 5.159 5.262 . 0 0 "[ . 1 .]" 1
1122 1 104 GLU HB3 1 105 ASN H 2.663 . 3.550 3.445 3.358 3.538 . 0 0 "[ . 1 .]" 1
1123 1 104 GLU HB2 1 105 ASN H 3.857 . 5.716 2.374 2.329 2.411 . 0 0 "[ . 1 .]" 1
1124 1 104 GLU HG2 1 105 ASN H 4.157 . 6.317 4.809 4.754 4.864 . 0 0 "[ . 1 .]" 1
1125 1 105 ASN H 1 106 ALA MB 4.049 . 6.099 4.346 4.288 4.387 . 0 0 "[ . 1 .]" 1
1126 1 20 ARG H 1 22 ALA H 3.809 . 5.623 4.047 3.790 4.196 . 0 0 "[ . 1 .]" 1
1127 1 103 TRP HA 1 106 ALA H 2.909 . 3.967 3.397 3.223 3.481 . 0 0 "[ . 1 .]" 1
1128 1 125 GLY HA3 1 126 LEU H 3.703 . 5.417 3.468 3.405 3.521 . 0 0 "[ . 1 .]" 1
1129 1 126 LEU H 1 126 LEU HG 3.273 . 4.612 4.055 3.960 4.199 . 0 0 "[ . 1 .]" 1
1130 1 106 ALA HA 1 107 ARG H 3.419 . 4.881 3.544 3.471 3.576 . 0 0 "[ . 1 .]" 1
1131 1 107 ARG H 1 107 ARG HA 2.759 . 3.711 2.928 2.913 2.950 . 0 0 "[ . 1 .]" 1
1132 1 107 ARG H 1 107 ARG HD3 4.305 . 6.622 4.738 4.436 5.008 . 0 0 "[ . 1 .]" 1
1133 1 107 ARG H 1 107 ARG HB3 2.873 . 3.904 3.696 3.661 3.789 . 0 0 "[ . 1 .]" 1
1134 1 107 ARG H 1 108 GLY H 2.439 . 3.182 2.373 2.119 2.498 . 0 0 "[ . 1 .]" 1
1135 1 108 GLY H 1 108 GLY HA2 2.934 . 4.010 2.317 2.307 2.336 . 0 0 "[ . 1 .]" 1
1136 1 108 GLY H 1 108 GLY HA3 2.544 . 3.353 2.865 2.835 2.898 . 0 0 "[ . 1 .]" 1
1137 1 107 ARG HB3 1 108 GLY H 3.544 . 5.114 4.288 4.202 4.343 . 0 0 "[ . 1 .]" 1
1138 1 107 ARG HB2 1 108 GLY H 4.123 . 6.247 3.573 3.499 3.702 . 0 0 "[ . 1 .]" 1
1139 1 107 ARG H 1 109 VAL H 3.364 . 4.778 3.912 3.630 4.146 . 0 0 "[ . 1 .]" 1
1140 1 108 GLY H 1 109 VAL H 2.782 . 3.749 2.620 2.482 2.716 . 0 0 "[ . 1 .]" 1
1141 1 117 ALA H 1 117 ALA MB 2.275 . 2.922 2.286 2.263 2.325 . 0 0 "[ . 1 .]" 1
1142 1 109 VAL H 1 109 VAL HB 2.489 . 3.263 2.679 2.613 2.779 . 0 0 "[ . 1 .]" 1
1143 1 109 VAL H 1 109 VAL MG1 3.478 . 4.990 3.868 3.823 3.917 . 0 0 "[ . 1 .]" 1
1144 1 109 VAL H 1 109 VAL MG2 3.406 . 4.856 2.818 2.745 2.906 . 0 0 "[ . 1 .]" 1
1145 1 109 VAL H 1 110 ASP H 4.580 . 7.202 4.417 4.405 4.431 . 0 0 "[ . 1 .]" 1
1146 1 109 VAL HA 1 110 ASP H 2.407 . 3.131 2.261 2.201 2.297 . 0 0 "[ . 1 .]" 1
1147 1 110 ASP H 1 110 ASP HB2 3.018 . 4.157 3.095 2.966 3.215 . 0 0 "[ . 1 .]" 1
1148 1 110 ASP H 1 110 ASP HB3 3.128 . 4.351 2.852 2.750 2.960 . 0 0 "[ . 1 .]" 1
1149 1 109 VAL HB 1 110 ASP H 3.733 . 5.475 4.024 3.889 4.140 . 0 0 "[ . 1 .]" 1
1150 1 109 VAL MG2 1 110 ASP H 3.541 . 5.108 3.963 3.889 4.006 . 0 0 "[ . 1 .]" 1
1151 1 111 PHE H 1 111 PHE HB3 3.386 . 4.819 3.584 3.557 3.614 . 0 0 "[ . 1 .]" 1
1152 1 111 PHE H 1 111 PHE HB2 2.481 . 3.250 2.365 2.276 2.412 . 0 0 "[ . 1 .]" 1
1153 1 111 PHE H 1 112 GLY H 2.901 . 3.953 2.556 2.430 2.625 . 0 0 "[ . 1 .]" 1
1154 1 112 GLY H 1 114 ARG H 4.516 . 7.065 3.544 3.162 3.767 . 0 0 "[ . 1 .]" 1
1155 1 110 ASP HA 1 112 GLY H 3.901 . 5.803 3.499 3.372 3.657 . 0 0 "[ . 1 .]" 1
1156 1 111 PHE HB3 1 112 GLY H 3.700 . 5.411 3.989 3.807 4.205 . 0 0 "[ . 1 .]" 1
1157 1 111 PHE HB2 1 112 GLY H 3.153 . 4.396 3.244 2.989 3.556 . 0 0 "[ . 1 .]" 1
1158 1 112 GLY H 1 113 SER H 2.821 . 3.815 2.518 2.361 2.727 . 0 0 "[ . 1 .]" 1
1159 1 113 SER H 1 114 ARG H 2.541 . 3.348 2.292 2.132 2.357 . 0 0 "[ . 1 .]" 1
1160 1 113 SER H 1 113 SER HB3 2.573 . 3.400 3.072 2.391 3.667 0.267 2 0 "[ . 1 .]" 1
1161 1 113 SER H 1 113 SER HB2 2.862 . 3.886 2.684 2.526 3.603 . 0 0 "[ . 1 .]" 1
1162 1 114 ARG H 1 115 THR H 2.735 . 3.670 2.594 2.505 2.666 . 0 0 "[ . 1 .]" 1
1163 1 113 SER HA 1 114 ARG H 3.625 . 5.268 3.347 3.273 3.405 . 0 0 "[ . 1 .]" 1
1164 1 111 PHE HA 1 114 ARG H 3.009 . 4.141 3.162 2.952 3.338 . 0 0 "[ . 1 .]" 1
1165 1 112 GLY HA3 1 114 ARG H 3.341 . 4.736 4.281 4.027 4.550 . 0 0 "[ . 1 .]" 1
1166 1 114 ARG H 1 114 ARG HA 2.416 . 3.146 2.264 2.254 2.278 . 0 0 "[ . 1 .]" 1
1167 1 115 THR H 1 115 THR MG 3.047 . 4.207 3.236 2.992 3.420 . 0 0 "[ . 1 .]" 1
1168 1 115 THR HA 1 116 GLN H 2.826 . 3.824 2.488 2.379 2.604 . 0 0 "[ . 1 .]" 1
1169 1 115 THR HB 1 116 GLN H 2.405 . 3.128 2.297 2.069 2.551 . 0 0 "[ . 1 .]" 1
1170 1 116 GLN H 1 116 GLN HB2 3.500 . 5.031 3.893 3.820 3.945 . 0 0 "[ . 1 .]" 1
1171 1 116 GLN H 1 116 GLN HB3 3.434 . 4.908 3.323 3.171 3.404 . 0 0 "[ . 1 .]" 1
1172 1 115 THR MG 1 116 GLN H 4.091 . 6.183 3.391 3.238 3.627 . 0 0 "[ . 1 .]" 1
1173 1 116 GLN HA 1 117 ALA H 2.575 . 3.404 2.275 2.222 2.346 . 0 0 "[ . 1 .]" 1
1174 1 116 GLN HB2 1 117 ALA H 3.387 . 4.821 2.772 2.621 2.891 . 0 0 "[ . 1 .]" 1
1175 1 116 GLN HB3 1 117 ALA H 4.307 . 6.626 3.939 3.807 4.075 . 0 0 "[ . 1 .]" 1
1176 1 117 ALA HA 1 118 ASP H 3.007 . 4.138 3.247 2.935 3.406 . 0 0 "[ . 1 .]" 1
1177 1 118 ASP H 1 118 ASP HB2 2.429 . 3.166 2.585 2.329 2.918 . 0 0 "[ . 1 .]" 1
1178 1 117 ALA MB 1 118 ASP H 2.811 . 3.799 3.228 2.935 3.586 . 0 0 "[ . 1 .]" 1
1179 1 126 LEU HB3 1 127 ASP H 2.318 . 2.990 2.788 2.615 3.035 0.045 7 0 "[ . 1 .]" 1
1180 1 126 LEU HG 1 127 ASP H 3.383 . 4.813 3.528 3.325 3.703 . 0 0 "[ . 1 .]" 1
1181 1 126 LEU HB2 1 127 ASP H 4.022 . 6.044 4.047 3.937 4.198 . 0 0 "[ . 1 .]" 1
1182 1 119 ALA H 1 120 LEU HA 4.502 . 7.035 4.976 4.854 5.072 . 0 0 "[ . 1 .]" 1
1183 1 119 ALA H 1 119 ALA HA 2.929 . 4.002 2.877 2.853 2.920 . 0 0 "[ . 1 .]" 1
1184 1 118 ASP HB3 1 119 ALA H 2.857 . 3.877 3.222 2.325 3.569 . 0 0 "[ . 1 .]" 1
1185 1 118 ASP HB2 1 119 ALA H 4.207 . 6.419 3.958 3.697 4.100 . 0 0 "[ . 1 .]" 1
1186 1 119 ALA H 1 119 ALA MB 2.262 . 2.902 2.263 2.246 2.301 . 0 0 "[ . 1 .]" 1
1187 1 119 ALA H 1 120 LEU H 2.803 . 3.785 2.433 2.178 2.738 . 0 0 "[ . 1 .]" 1
1188 1 120 LEU H 1 120 LEU HA 2.975 . 4.082 2.842 2.814 2.944 . 0 0 "[ . 1 .]" 1
1189 1 118 ASP HA 1 120 LEU H 4.395 . 6.809 4.274 3.942 4.832 . 0 0 "[ . 1 .]" 1
1190 1 119 ALA HA 1 120 LEU H 3.302 . 4.665 3.500 3.407 3.569 . 0 0 "[ . 1 .]" 1
1191 1 118 ASP HB3 1 120 LEU H 2.866 . 3.893 3.073 2.693 3.428 . 0 0 "[ . 1 .]" 1
1192 1 118 ASP HB2 1 120 LEU H 4.017 . 6.034 4.453 4.168 4.665 . 0 0 "[ . 1 .]" 1
1193 1 120 LEU H 1 120 LEU HB2 2.735 . 3.670 3.415 2.984 3.539 . 0 0 "[ . 1 .]" 1
1194 1 119 ALA MB 1 120 LEU H 2.601 . 3.447 2.632 2.089 3.005 . 0 0 "[ . 1 .]" 1
1195 1 120 LEU H 1 120 LEU MD1 3.497 . 5.026 4.395 4.328 4.438 . 0 0 "[ . 1 .]" 1
1196 1 121 VAL H 1 122 LEU H 3.670 . 5.353 3.971 3.809 4.051 . 0 0 "[ . 1 .]" 1
1197 1 116 GLN HE22 1 121 VAL H 2.743 . 3.684 2.772 2.515 3.035 . 0 0 "[ . 1 .]" 1
1198 1 121 VAL H 1 121 VAL MG1 2.087 . 2.631 2.053 1.999 2.109 . 0 0 "[ . 1 .]" 1
1199 1 120 LEU HB2 1 121 VAL H 3.947 . 5.895 4.281 4.150 4.377 . 0 0 "[ . 1 .]" 1
1200 1 120 LEU HG 1 121 VAL H 2.818 . 3.811 3.039 2.657 3.220 . 0 0 "[ . 1 .]" 1
1201 1 121 VAL H 1 121 VAL HB 2.674 . 3.568 3.153 3.072 3.204 . 0 0 "[ . 1 .]" 1
1202 1 120 LEU HA 1 121 VAL H 2.308 . 2.974 2.229 2.185 2.292 . 0 0 "[ . 1 .]" 1
1203 1 68 LEU HA 1 121 VAL H 2.891 . 3.936 3.675 3.512 3.857 . 0 0 "[ . 1 .]" 1
1204 1 116 GLN HE21 1 121 VAL H 4.017 . 6.034 4.330 4.081 4.731 . 0 0 "[ . 1 .]" 1
1205 1 121 VAL HA 1 122 LEU H 2.131 . 2.699 2.138 2.115 2.193 . 0 0 "[ . 1 .]" 1
1206 1 122 LEU H 1 122 LEU HA 2.795 . 3.771 2.940 2.926 2.947 . 0 0 "[ . 1 .]" 1
1207 1 121 VAL HB 1 122 LEU H 4.933 . 7.975 4.408 4.364 4.468 . 0 0 "[ . 1 .]" 1
1208 1 122 LEU H 1 122 LEU HB2 2.539 . 3.345 2.619 2.547 2.684 . 0 0 "[ . 1 .]" 1
1209 1 122 LEU H 1 122 LEU HG 2.630 . 3.494 2.550 2.484 2.609 . 0 0 "[ . 1 .]" 1
1210 1 121 VAL MG2 1 122 LEU H 3.074 . 4.255 3.339 3.186 3.493 . 0 0 "[ . 1 .]" 1
1211 1 122 LEU H 1 123 LEU H 3.769 . 5.545 4.285 4.166 4.514 . 0 0 "[ . 1 .]" 1
1212 1 122 LEU HA 1 123 LEU H 2.131 . 2.699 2.192 2.157 2.267 . 0 0 "[ . 1 .]" 1
1213 1 122 LEU HB2 1 123 LEU H 4.095 . 6.191 4.212 3.923 4.354 . 0 0 "[ . 1 .]" 1
1214 1 123 LEU H 1 123 LEU HB2 2.514 . 3.304 2.587 2.491 2.758 . 0 0 "[ . 1 .]" 1
1215 1 123 LEU H 1 123 LEU HG 2.580 . 3.412 2.715 2.519 3.153 . 0 0 "[ . 1 .]" 1
1216 1 121 VAL MG1 1 123 LEU H 3.253 . 6.000 5.000 4.622 5.611 . 0 0 "[ . 1 .]" 1
1217 1 123 LEU H 1 123 LEU MD2 4.322 . 6.657 3.488 3.361 3.741 . 0 0 "[ . 1 .]" 1
1218 1 123 LEU H 1 123 LEU MD1 3.992 . 5.985 3.956 3.806 4.277 . 0 0 "[ . 1 .]" 1
1219 1 123 LEU H 1 124 GLY H 4.217 . 6.439 4.219 3.937 4.385 . 0 0 "[ . 1 .]" 1
1220 1 123 LEU HA 1 124 GLY H 2.233 . 2.856 2.125 2.092 2.157 . 0 0 "[ . 1 .]" 1
1221 1 124 GLY H 1 124 GLY HA2 2.551 . 3.364 2.948 2.939 2.955 . 0 0 "[ . 1 .]" 1
1222 1 125 GLY H 1 125 GLY HA2 2.526 . 3.323 2.299 2.285 2.313 . 0 0 "[ . 1 .]" 1
1223 1 125 GLY H 1 126 LEU H 3.050 . 4.213 2.599 2.498 2.717 . 0 0 "[ . 1 .]" 1
1224 1 123 LEU HB2 1 124 GLY H 4.052 . 6.104 4.327 4.236 4.385 . 0 0 "[ . 1 .]" 1
1225 1 125 GLY H 1 126 LEU HB3 4.724 . 7.513 6.085 5.989 6.219 . 0 0 "[ . 1 .]" 1
1226 1 123 LEU HB3 1 124 GLY H 3.566 . 5.156 3.627 3.420 3.768 . 0 0 "[ . 1 .]" 1
1227 1 123 LEU MD2 1 124 GLY H 4.428 . 6.879 3.786 3.675 3.870 . 0 0 "[ . 1 .]" 1
1228 1 73 ASN H 1 126 LEU H 3.801 . 5.607 3.794 3.585 3.963 . 0 0 "[ . 1 .]" 1
1229 1 72 TRP HA 1 126 LEU H 2.634 . 3.502 2.810 2.612 3.074 . 0 0 "[ . 1 .]" 1
1230 1 125 GLY HA2 1 126 LEU H 2.903 . 3.956 3.042 2.928 3.126 . 0 0 "[ . 1 .]" 1
1231 1 126 LEU H 1 126 LEU HB2 2.601 . 3.446 2.238 2.197 2.280 . 0 0 "[ . 1 .]" 1
1232 1 127 ASP H 1 128 PHE H 4.140 . 6.282 4.448 4.401 4.527 . 0 0 "[ . 1 .]" 1
1233 1 126 LEU HA 1 127 ASP H 2.455 . 3.208 2.233 2.151 2.305 . 0 0 "[ . 1 .]" 1
1234 1 127 ASP H 1 127 ASP HB2 3.049 . 4.211 2.648 2.543 2.713 . 0 0 "[ . 1 .]" 1
1235 1 126 LEU QD 1 127 ASP H 5.200 . 8.580 3.826 3.722 3.898 . 0 0 "[ . 1 .]" 1
1236 1 128 PHE H 1 128 PHE QD 3.828 . 5.660 2.756 2.374 3.279 . 0 0 "[ . 1 .]" 1
1237 1 127 ASP HA 1 128 PHE H 2.998 . 4.121 2.485 2.345 2.569 . 0 0 "[ . 1 .]" 1
1238 1 129 GLU HA 1 130 ALA H 2.178 . 2.771 2.156 2.117 2.249 . 0 0 "[ . 1 .]" 1
1239 1 129 GLU HB3 1 130 ALA H 4.645 . 7.342 3.827 2.867 4.389 . 0 0 "[ . 1 .]" 1
1240 1 130 ALA H 1 130 ALA MB 2.410 . 3.136 2.507 2.245 2.788 . 0 0 "[ . 1 .]" 1
1241 1 103 TRP HE1 1 123 LEU MD2 3.523 . 5.075 4.486 4.127 4.883 . 0 0 "[ . 1 .]" 1
1242 1 103 TRP HA 1 103 TRP HE1 4.858 . 7.808 4.698 4.627 4.746 . 0 0 "[ . 1 .]" 1
1243 1 72 TRP HE1 1 92 TYR QE 4.190 . 6.385 3.291 3.061 3.707 . 0 0 "[ . 1 .]" 1
1244 1 67 ASN HB3 1 67 ASN HD22 3.852 . 5.707 3.526 3.500 3.748 . 0 0 "[ . 1 .]" 1
1245 1 38 VAL MG2 1 48 GLN HE21 4.126 . 6.254 3.684 2.339 5.034 . 0 0 "[ . 1 .]" 1
1246 1 48 GLN HE22 1 71 THR MG 3.528 . 5.084 3.791 3.062 4.980 . 0 0 "[ . 1 .]" 1
1247 1 48 GLN HE21 1 71 THR MG 3.923 . 5.847 4.058 3.277 5.792 . 0 0 "[ . 1 .]" 1
1248 1 116 GLN HB3 1 116 GLN HE22 4.347 . 6.709 4.374 3.509 4.667 . 0 0 "[ . 1 .]" 1
1249 1 116 GLN HE22 1 121 VAL MG1 2.580 . 3.412 2.543 1.699 3.030 0.049 1 0 "[ . 1 .]" 1
1250 1 67 ASN HB3 1 67 ASN HD21 2.352 . 3.043 2.325 2.263 2.841 . 0 0 "[ . 1 .]" 1
1251 1 73 ASN HA 1 73 ASN HD21 4.394 . 6.807 4.426 4.389 4.471 . 0 0 "[ . 1 .]" 1
1252 1 73 ASN HB2 1 73 ASN HD21 2.404 . 3.126 2.215 2.194 2.239 . 0 0 "[ . 1 .]" 1
1253 1 73 ASN HB2 1 73 ASN HD22 3.963 . 5.927 3.475 3.466 3.489 . 0 0 "[ . 1 .]" 1
1254 1 128 PHE H 1 129 GLU H 2.723 . 3.650 2.831 2.534 3.125 . 0 0 "[ . 1 .]" 1
1255 1 24 ALA H 1 24 ALA HA 2.466 . 3.226 2.818 2.799 2.831 . 0 0 "[ . 1 .]" 1
1256 1 23 ARG HA 1 26 ALA H 2.458 . 6.000 3.527 3.338 3.800 . 0 0 "[ . 1 .]" 1
1257 1 20 ARG H 1 21 ILE H 2.505 . 3.289 2.485 2.436 2.526 . 0 0 "[ . 1 .]" 1
1258 1 21 ILE H 1 89 PHE HZ 3.814 . 5.632 3.486 3.094 3.832 . 0 0 "[ . 1 .]" 1
1259 1 26 ALA H 1 27 ASP HB3 4.286 . 6.583 4.854 4.713 4.988 . 0 0 "[ . 1 .]" 1
1260 1 25 ILE HB 1 26 ALA H 2.064 . 2.596 2.549 2.473 2.648 0.052 13 0 "[ . 1 .]" 1
1261 1 40 TYR HB2 1 41 GLY H 4.040 . 6.081 4.345 4.091 4.475 . 0 0 "[ . 1 .]" 1
1262 1 76 GLU H 1 77 ILE H 2.254 . 2.889 2.798 2.743 2.848 . 0 0 "[ . 1 .]" 1
1263 1 80 LEU H 1 80 LEU HG 2.322 . 2.996 2.341 2.233 2.490 . 0 0 "[ . 1 .]" 1
1264 1 45 HIS H 1 45 HIS HB3 3.168 . 4.422 3.466 2.650 4.115 . 0 0 "[ . 1 .]" 1
1265 1 44 GLY HA2 1 45 HIS H 5.201 . 8.583 3.011 2.154 3.518 . 0 0 "[ . 1 .]" 1
1266 1 42 GLY HA3 1 43 HIS H 3.606 . 5.231 2.624 2.152 3.097 . 0 0 "[ . 1 .]" 1
1267 1 43 HIS H 1 43 HIS HB2 3.400 . 4.845 2.912 2.405 3.609 . 0 0 "[ . 1 .]" 1
1268 1 43 HIS H 1 43 HIS HB3 3.121 . 4.339 3.323 2.537 3.891 . 0 0 "[ . 1 .]" 1
1269 1 42 GLY HA2 1 43 HIS H 3.012 . 4.146 3.156 2.300 3.576 . 0 0 "[ . 1 .]" 1
1270 1 71 THR H 1 123 LEU HB2 3.067 . 4.243 3.560 3.384 3.836 . 0 0 "[ . 1 .]" 1
1271 1 33 ALA H 1 34 HIS H 4.357 . 6.730 4.422 4.330 4.497 . 0 0 "[ . 1 .]" 1
1272 1 31 HIS HB3 1 33 ALA H 4.969 . 8.055 5.007 4.626 5.385 . 0 0 "[ . 1 .]" 1
1273 1 22 ALA H 1 49 VAL MG2 2.748 . 3.692 3.577 3.391 3.711 0.019 13 0 "[ . 1 .]" 1
1274 1 35 THR HA 1 50 ARG H 4.002 . 6.004 4.917 4.658 5.220 . 0 0 "[ . 1 .]" 1
1275 1 14 ASP H 1 18 ALA MB 4.591 . 7.226 4.333 4.223 4.451 . 0 0 "[ . 1 .]" 1
1276 1 11 ARG H 1 11 ARG HB2 3.001 . 4.127 2.566 2.484 2.663 . 0 0 "[ . 1 .]" 1
1277 1 30 ASN H 1 30 ASN HD21 3.843 . 5.689 4.310 3.311 5.245 . 0 0 "[ . 1 .]" 1
1278 1 77 ILE H 1 128 PHE QE 4.202 . 6.409 4.221 3.809 4.760 . 0 0 "[ . 1 .]" 1
1279 1 103 TRP HE1 1 123 LEU MD1 3.232 . 4.538 3.133 2.958 3.369 . 0 0 "[ . 1 .]" 1
1280 1 52 VAL HA 1 68 LEU H 3.465 . 4.966 3.831 3.597 3.993 . 0 0 "[ . 1 .]" 1
1281 1 9 THR MG 1 10 ALA H 3.122 . 4.340 3.432 3.289 3.583 . 0 0 "[ . 1 .]" 1
1282 1 125 GLY H 1 126 LEU HB2 4.482 . 6.993 4.602 4.512 4.747 . 0 0 "[ . 1 .]" 1
1283 1 72 TRP HE1 1 126 LEU QD 4.005 . 6.010 2.737 2.478 2.925 . 0 0 "[ . 1 .]" 1
1284 1 92 TYR QD 1 129 GLU H 4.408 . 6.837 4.310 4.019 4.753 . 0 0 "[ . 1 .]" 1
1285 1 92 TYR QE 1 129 GLU H 4.640 . 7.331 4.596 3.871 5.121 . 0 0 "[ . 1 .]" 1
1286 1 72 TRP HE1 1 126 LEU HG 3.981 . 5.962 4.562 4.434 4.789 . 0 0 "[ . 1 .]" 1
1287 1 108 GLY HA3 1 117 ALA H 4.549 . 7.136 3.836 3.187 4.275 . 0 0 "[ . 1 .]" 1
1288 1 13 PHE QD 1 18 ALA H 4.012 . 6.024 4.086 3.791 4.245 . 0 0 "[ . 1 .]" 1
1289 1 128 PHE QD 1 129 GLU H 4.491 . 7.012 4.893 4.746 4.991 . 0 0 "[ . 1 .]" 1
1290 1 38 VAL MG1 1 48 GLN HE22 4.008 . 6.016 4.250 3.923 5.219 . 0 0 "[ . 1 .]" 1
1291 1 38 VAL MG1 1 48 GLN HE21 3.565 . 5.154 3.359 2.715 5.290 0.136 10 0 "[ . 1 .]" 1
1292 1 6 SER H 1 6 SER HA 2.444 . 3.191 2.776 2.259 2.938 . 0 0 "[ . 1 .]" 1
1293 1 38 VAL HB 1 48 GLN H 2.582 . 3.415 2.609 2.316 3.212 . 0 0 "[ . 1 .]" 1
1294 1 93 LEU H 1 96 LEU HG 4.360 . 6.737 4.357 4.243 4.561 . 0 0 "[ . 1 .]" 1
1295 1 68 LEU MD1 1 123 LEU H 3.166 . 4.419 3.111 2.701 3.650 . 0 0 "[ . 1 .]" 1
1296 1 67 ASN HB3 1 68 LEU H 4.914 . 7.933 4.328 3.918 4.423 . 0 0 "[ . 1 .]" 1
1297 1 67 ASN HD22 1 69 ALA MB 3.359 . 4.769 3.857 3.320 4.333 . 0 0 "[ . 1 .]" 1
1298 1 67 ASN HD22 1 122 LEU MD2 3.470 . 4.975 3.597 3.142 4.186 . 0 0 "[ . 1 .]" 1
1299 1 83 ALA H 1 85 GLY H 4.644 . 7.340 3.892 3.728 4.138 . 0 0 "[ . 1 .]" 1
1300 1 84 ASP HA 1 85 GLY H 3.062 . 4.234 3.402 3.265 3.493 . 0 0 "[ . 1 .]" 1
1301 1 67 ASN HD21 1 122 LEU MD2 3.168 . 4.422 3.268 2.739 3.623 . 0 0 "[ . 1 .]" 1
1302 1 67 ASN HD21 1 69 ALA MB 3.468 . 4.971 4.101 3.747 4.505 . 0 0 "[ . 1 .]" 1
1303 1 16 GLU H 1 16 GLU HG3 3.803 . 5.611 4.485 4.406 4.576 . 0 0 "[ . 1 .]" 1
1304 1 97 PRO HD3 1 98 ARG H 2.843 . 3.853 4.064 3.976 4.152 0.299 12 0 "[ . 1 .]" 1
1305 1 12 ARG HA 1 15 THR H 3.088 . 4.280 3.472 3.365 3.632 . 0 0 "[ . 1 .]" 1
1306 1 110 ASP HA 1 111 PHE H 2.526 . 3.323 2.155 2.119 2.210 . 0 0 "[ . 1 .]" 1
1307 1 104 GLU HG2 1 111 PHE H 4.107 . 6.215 3.262 2.894 4.123 . 0 0 "[ . 1 .]" 1
1308 1 10 ALA HA 1 13 PHE H 3.560 . 5.144 3.653 3.427 3.984 . 0 0 "[ . 1 .]" 1
1309 1 49 VAL H 1 70 LEU HB2 2.620 . 3.478 3.090 2.950 3.293 . 0 0 "[ . 1 .]" 1
1310 1 40 TYR QE 1 43 HIS H 4.540 . 7.117 5.025 4.175 6.587 . 0 0 "[ . 1 .]" 1
1311 1 110 ASP H 1 116 GLN HA 3.074 . 4.255 3.043 2.795 3.337 . 0 0 "[ . 1 .]" 1
1312 1 109 VAL MG1 1 110 ASP H 3.437 . 4.913 2.400 2.222 2.578 . 0 0 "[ . 1 .]" 1
1313 1 116 GLN HE21 1 121 VAL MG1 3.303 . 4.666 3.717 2.716 4.144 . 0 0 "[ . 1 .]" 1
1314 1 116 GLN HE22 1 120 LEU HA 2.907 . 3.963 2.605 1.889 3.652 . 0 0 "[ . 1 .]" 1
1315 1 116 GLN HE21 1 120 LEU HA 3.337 . 4.729 3.717 2.815 5.125 0.396 1 0 "[ . 1 .]" 1
1316 1 103 TRP HE1 1 126 LEU HG 3.075 . 6.000 3.815 3.532 4.496 . 0 0 "[ . 1 .]" 1
1317 1 127 ASP HB3 1 128 PHE H 2.252 . 2.886 2.337 2.160 2.726 . 0 0 "[ . 1 .]" 1
1318 1 34 HIS H 1 53 ALA HA 3.278 . 4.621 3.124 2.957 3.245 . 0 0 "[ . 1 .]" 1
1319 1 52 VAL MG1 1 53 ALA H 2.510 . 3.297 2.482 2.302 2.705 . 0 0 "[ . 1 .]" 1
1320 1 66 LEU H 1 115 THR HA 3.152 . 4.394 2.998 2.533 3.555 . 0 0 "[ . 1 .]" 1
1321 1 29 LEU H 1 29 LEU HG 1.971 . 2.457 2.405 2.248 2.517 0.060 6 0 "[ . 1 .]" 1
1322 1 108 GLY HA2 1 109 VAL H 3.303 . 4.666 2.650 2.598 2.751 . 0 0 "[ . 1 .]" 1
1323 1 108 GLY HA3 1 109 VAL H 3.107 . 4.314 3.533 3.518 3.550 . 0 0 "[ . 1 .]" 1
1324 1 104 GLU HB2 1 109 VAL H 4.059 . 6.118 5.024 4.847 5.229 . 0 0 "[ . 1 .]" 1
1325 1 98 ARG H 1 99 LYS HB3 4.325 . 6.663 5.859 5.000 6.147 . 0 0 "[ . 1 .]" 1
1326 1 117 ALA H 1 118 ASP HB3 4.644 . 7.340 4.979 4.736 5.837 . 0 0 "[ . 1 .]" 1
1327 1 109 VAL MG1 1 117 ALA H 4.377 . 6.772 4.936 4.445 5.288 . 0 0 "[ . 1 .]" 1
1328 1 62 TYR HB2 1 116 GLN H 3.958 . 5.917 3.582 3.164 4.028 . 0 0 "[ . 1 .]" 1
1329 1 62 TYR HB3 1 116 GLN H 3.099 . 4.299 4.278 3.308 4.724 0.425 7 0 "[ . 1 .]" 1
1330 1 120 LEU HB3 1 121 VAL H 4.127 . 6.256 4.166 3.953 4.269 . 0 0 "[ . 1 .]" 1
1331 1 116 GLN HB2 1 118 ASP H 2.491 . 3.267 2.510 2.298 2.796 . 0 0 "[ . 1 .]" 1
1332 1 82 GLU HB2 1 85 GLY H 3.592 . 5.205 3.056 2.685 4.163 . 0 0 "[ . 1 .]" 1
1333 1 83 ALA HA 1 85 GLY H 3.683 . 5.379 3.855 3.479 4.088 . 0 0 "[ . 1 .]" 1
1334 1 82 GLU H 1 85 GLY H 4.100 . 6.201 3.803 3.554 3.973 . 0 0 "[ . 1 .]" 1
1335 1 127 ASP HB3 1 129 GLU H 3.637 . 5.290 2.960 2.696 3.411 . 0 0 "[ . 1 .]" 1
1336 1 107 ARG H 1 108 GLY HA2 5.588 . 9.491 4.657 4.430 4.827 . 0 0 "[ . 1 .]" 1
1337 1 104 GLU HA 1 107 ARG H 3.717 . 5.444 4.063 3.875 4.224 . 0 0 "[ . 1 .]" 1
1338 1 107 ARG H 1 108 GLY HA3 5.539 . 9.374 5.027 4.822 5.141 . 0 0 "[ . 1 .]" 1
1339 1 107 ARG H 1 109 VAL MG1 4.152 . 6.307 5.929 5.753 6.118 . 0 0 "[ . 1 .]" 1
1340 1 30 ASN HA 1 30 ASN HB3 2.873 . 3.905 2.549 2.429 3.013 . 0 0 "[ . 1 .]" 1
1341 1 35 THR HA 1 35 THR HB 2.388 . 3.101 2.503 2.489 2.533 . 0 0 "[ . 1 .]" 1
1342 1 37 VAL HA 1 37 VAL HB 2.753 . 3.701 3.023 3.019 3.026 . 0 0 "[ . 1 .]" 1
1343 1 80 LEU MD1 1 128 PHE QE 3.516 . 5.061 2.887 2.626 3.468 . 0 0 "[ . 1 .]" 1
1344 1 103 TRP HB2 1 103 TRP HZ3 4.974 . 8.067 4.871 4.851 4.925 . 0 0 "[ . 1 .]" 1
1345 1 31 HIS HB3 1 31 HIS HD2 3.222 . 4.520 3.737 3.066 3.934 . 0 0 "[ . 1 .]" 1
1346 1 103 TRP HA 1 103 TRP HD1 2.274 . 2.920 2.239 2.179 2.281 . 0 0 "[ . 1 .]" 1
1347 1 55 HIS HA 1 55 HIS HD2 4.134 . 6.270 3.845 2.877 4.631 . 0 0 "[ . 1 .]" 1
1348 1 103 TRP HB2 1 103 TRP HD1 3.837 . 5.677 3.864 3.838 3.881 . 0 0 "[ . 1 .]" 1
1349 1 34 HIS HA 1 34 HIS HD2 4.399 . 6.818 4.322 4.123 4.499 . 0 0 "[ . 1 .]" 1
1350 1 64 HIS HA 1 64 HIS HD2 4.317 . 6.646 4.044 3.177 4.370 . 0 0 "[ . 1 .]" 1
1351 1 62 TYR HA 1 62 TYR QD 3.328 . 4.712 2.679 2.438 3.082 . 0 0 "[ . 1 .]" 1
1352 1 62 TYR HA 1 62 TYR QE 4.936 . 7.981 4.628 4.572 4.676 . 0 0 "[ . 1 .]" 1
1353 1 40 TYR HB3 1 40 TYR QD 3.125 . 4.346 2.334 2.288 2.428 . 0 0 "[ . 1 .]" 1
1354 1 40 TYR HB2 1 40 TYR QE 4.772 . 7.619 4.451 4.419 4.485 . 0 0 "[ . 1 .]" 1
1355 1 40 TYR HB3 1 40 TYR QE 4.396 . 6.811 4.405 4.392 4.436 . 0 0 "[ . 1 .]" 1
1356 1 111 PHE HA 1 111 PHE QE 4.047 . 6.094 4.585 4.497 4.635 . 0 0 "[ . 1 .]" 1
1357 1 111 PHE HB3 1 111 PHE QD 2.930 . 4.003 2.357 2.287 2.455 . 0 0 "[ . 1 .]" 1
1358 1 77 ILE HG12 1 128 PHE QE 4.107 . 6.215 3.528 3.030 4.061 . 0 0 "[ . 1 .]" 1
1359 1 80 LEU MD1 1 128 PHE HZ 3.710 . 5.431 2.957 2.424 3.385 . 0 0 "[ . 1 .]" 1
1360 1 77 ILE HG12 1 128 PHE HZ 3.510 . 5.050 4.388 3.721 5.229 0.179 11 0 "[ . 1 .]" 1
1361 1 128 PHE HB3 1 128 PHE QE 4.366 . 6.749 4.406 4.385 4.435 . 0 0 "[ . 1 .]" 1
1362 1 111 PHE HA 1 111 PHE QD 3.223 . 4.521 2.979 2.747 3.106 . 0 0 "[ . 1 .]" 1
1363 1 17 PHE HA 1 17 PHE QD 3.234 . 4.541 2.989 2.706 3.152 . 0 0 "[ . 1 .]" 1
1364 1 111 PHE HB2 1 111 PHE QD 3.046 . 4.206 2.434 2.337 2.542 . 0 0 "[ . 1 .]" 1
1365 1 111 PHE HB2 1 111 PHE QE 3.541 . 5.109 4.416 4.391 4.449 . 0 0 "[ . 1 .]" 1
1366 1 13 PHE HB2 1 13 PHE QE 4.454 . 6.934 4.419 4.406 4.434 . 0 0 "[ . 1 .]" 1
1367 1 13 PHE HB2 1 13 PHE QD 4.319 . 6.651 2.434 2.386 2.490 . 0 0 "[ . 1 .]" 1
1368 1 13 PHE HB3 1 13 PHE QD 2.755 . 3.704 2.354 2.312 2.399 . 0 0 "[ . 1 .]" 1
1369 1 92 TYR HB2 1 92 TYR QD 4.127 . 6.256 2.531 2.460 2.565 . 0 0 "[ . 1 .]" 1
1370 1 13 PHE QE 1 72 TRP HE3 3.729 . 5.467 3.528 3.138 3.758 . 0 0 "[ . 1 .]" 1
1371 1 13 PHE HZ 1 72 TRP HE3 3.779 . 5.564 3.014 2.195 3.613 . 0 0 "[ . 1 .]" 1
1372 1 13 PHE HZ 1 128 PHE HZ 3.431 . 4.902 3.035 2.648 3.402 . 0 0 "[ . 1 .]" 1
1373 1 80 LEU MD1 1 128 PHE QD 4.020 . 6.040 3.684 3.053 4.384 . 0 0 "[ . 1 .]" 1
1374 1 13 PHE HZ 1 128 PHE QE 4.176 . 6.356 4.083 3.492 4.468 . 0 0 "[ . 1 .]" 1
1375 1 17 PHE QD 1 89 PHE QE 5.346 . 8.918 3.322 3.106 3.785 . 0 0 "[ . 1 .]" 1
1376 1 17 PHE QD 1 89 PHE QD 4.827 . 7.740 3.301 2.836 3.839 . 0 0 "[ . 1 .]" 1
1377 1 115 THR HA 1 115 THR HB 2.527 . 3.325 2.575 2.461 2.641 . 0 0 "[ . 1 .]" 1
1378 1 77 ILE HA 1 77 ILE MG 2.701 . 3.613 2.406 2.384 2.424 . 0 0 "[ . 1 .]" 1
1379 1 104 GLU HA 1 104 GLU HB3 2.736 . 3.672 2.476 2.449 2.493 . 0 0 "[ . 1 .]" 1
1380 1 77 ILE HG12 1 77 ILE MG 2.836 . 3.842 2.429 2.405 2.460 . 0 0 "[ . 1 .]" 1
1381 1 77 ILE HA 1 77 ILE HG12 3.043 . 4.201 2.524 2.476 2.560 . 0 0 "[ . 1 .]" 1
1382 1 43 HIS HA 1 43 HIS HD2 5.070 . 8.283 3.929 2.651 4.855 . 0 0 "[ . 1 .]" 1
1383 1 43 HIS HB3 1 43 HIS HD2 3.681 . 5.375 3.587 2.776 3.977 . 0 0 "[ . 1 .]" 1
1384 1 52 VAL HA 1 67 ASN HA 2.880 . 3.917 2.683 2.413 2.832 . 0 0 "[ . 1 .]" 1
1385 1 51 ILE HA 1 51 ILE MG 2.770 . 3.729 2.319 2.301 2.346 . 0 0 "[ . 1 .]" 1
1386 1 70 LEU MD2 1 103 TRP HH2 2.793 . 3.768 3.054 2.850 3.211 . 0 0 "[ . 1 .]" 1
1387 1 70 LEU HB3 1 72 TRP HH2 2.873 . 3.905 3.057 2.955 3.290 . 0 0 "[ . 1 .]" 1
1388 1 70 LEU MD1 1 72 TRP HH2 2.722 . 3.648 2.797 2.639 3.116 . 0 0 "[ . 1 .]" 1
1389 1 115 THR HA 1 115 THR MG 2.431 . 3.170 2.271 2.224 2.359 . 0 0 "[ . 1 .]" 1
1390 1 80 LEU MD1 1 89 PHE QD 3.175 . 4.435 3.143 2.587 3.747 . 0 0 "[ . 1 .]" 1
1391 1 72 TRP HD1 1 127 ASP HA 4.059 . 6.119 3.202 2.991 3.822 . 0 0 "[ . 1 .]" 1
1392 1 21 ILE HB 1 22 ALA MB 3.105 . 4.310 3.789 3.693 3.865 . 0 0 "[ . 1 .]" 1
1393 1 21 ILE MD 1 89 PHE QD 3.422 . 6.000 4.044 3.474 4.503 . 0 0 "[ . 1 .]" 1
1394 1 21 ILE MD 1 72 TRP HZ2 3.108 . 4.316 3.648 3.162 4.152 . 0 0 "[ . 1 .]" 1
1395 1 100 LEU MD1 1 103 TRP HZ3 3.200 . 4.480 3.019 2.529 3.301 . 0 0 "[ . 1 .]" 1
1396 1 70 LEU MD1 1 103 TRP HZ3 3.627 . 5.272 3.102 2.711 3.463 . 0 0 "[ . 1 .]" 1
1397 1 77 ILE HG13 1 128 PHE QE 4.817 . 7.717 3.910 3.498 4.253 . 0 0 "[ . 1 .]" 1
1398 1 77 ILE HB 1 128 PHE QE 4.839 . 7.766 5.779 5.434 6.033 . 0 0 "[ . 1 .]" 1
1399 1 72 TRP HB3 1 128 PHE QE 4.714 . 7.492 2.647 2.233 3.154 . 0 0 "[ . 1 .]" 1
1400 1 72 TRP HD1 1 128 PHE QE 5.375 . 8.986 3.702 3.355 3.972 . 0 0 "[ . 1 .]" 1
1401 1 9 THR MG 1 10 ALA HA 2.635 . 3.503 3.525 3.337 3.746 0.243 15 0 "[ . 1 .]" 1
1402 1 70 LEU MD2 1 72 TRP HZ2 3.331 . 4.718 3.784 3.552 4.011 . 0 0 "[ . 1 .]" 1
1403 1 89 PHE QD 1 128 PHE QD 3.733 . 5.475 3.277 2.815 3.828 . 0 0 "[ . 1 .]" 1
1404 1 92 TYR QE 1 128 PHE QD 5.998 . 10.495 4.095 3.601 4.608 . 0 0 "[ . 1 .]" 1
1405 1 70 LEU HB2 1 70 LEU MD1 1.822 . 2.237 2.267 2.249 2.289 0.052 5 0 "[ . 1 .]" 1
1406 1 100 LEU MD1 1 103 TRP HE3 2.765 . 3.721 2.447 2.206 3.008 . 0 0 "[ . 1 .]" 1
1407 1 103 TRP HZ2 1 126 LEU HB2 4.905 . 7.912 5.319 5.174 5.555 . 0 0 "[ . 1 .]" 1
1408 1 17 PHE HA 1 89 PHE HZ 3.723 . 5.456 3.694 3.033 4.490 . 0 0 "[ . 1 .]" 1
1409 1 17 PHE HA 1 89 PHE QE 3.555 . 5.135 3.940 3.398 4.646 . 0 0 "[ . 1 .]" 1
1410 1 17 PHE QE 1 86 ALA HA 4.013 . 6.026 3.198 2.326 4.131 . 0 0 "[ . 1 .]" 1
1411 1 66 LEU HA 1 66 LEU HB2 2.146 . 2.722 2.486 2.352 2.612 . 0 0 "[ . 1 .]" 1
1412 1 17 PHE QE 1 89 PHE QD 4.626 . 7.301 3.784 3.515 4.151 . 0 0 "[ . 1 .]" 1
1413 1 72 TRP HZ2 1 96 LEU MD2 3.084 . 6.000 4.237 3.673 4.839 . 0 0 "[ . 1 .]" 1
1414 1 77 ILE HA 1 80 LEU HG 3.627 . 5.272 2.553 2.098 2.826 . 0 0 "[ . 1 .]" 1
1415 1 9 THR HA 1 12 ARG HB3 3.910 . 5.821 3.780 2.773 5.018 . 0 0 "[ . 1 .]" 1
1416 1 40 TYR HA 1 40 TYR QE 3.979 . 5.958 4.594 4.426 4.664 . 0 0 "[ . 1 .]" 1
1417 1 34 HIS HD2 1 35 THR HA 4.036 . 6.072 4.191 3.957 4.365 . 0 0 "[ . 1 .]" 1
1418 1 100 LEU MD1 1 111 PHE HZ 2.978 . 4.086 3.037 2.792 3.810 . 0 0 "[ . 1 .]" 1
1419 1 100 LEU HG 1 103 TRP HE3 3.695 . 5.402 4.391 3.488 5.006 . 0 0 "[ . 1 .]" 1
1420 1 66 LEU HA 1 115 THR HA 4.208 . 6.422 4.004 3.631 4.340 . 0 0 "[ . 1 .]" 1
1421 1 115 THR HA 1 116 GLN HG3 3.677 . 5.367 5.166 4.780 5.497 0.130 13 0 "[ . 1 .]" 1
1422 1 115 THR HA 1 116 GLN HB3 4.163 . 6.329 4.318 4.148 4.444 . 0 0 "[ . 1 .]" 1
1423 1 66 LEU HB3 1 115 THR HA 4.211 . 6.428 4.450 3.929 4.775 . 0 0 "[ . 1 .]" 1
1424 1 99 LYS HB2 1 103 TRP HZ3 4.240 . 6.488 4.389 3.848 5.873 . 0 0 "[ . 1 .]" 1
1425 1 99 LYS HB3 1 103 TRP HH2 2.952 . 4.042 3.432 3.172 3.926 . 0 0 "[ . 1 .]" 1
1426 1 92 TYR HA 1 130 ALA MB 2.529 . 3.328 2.571 2.034 2.984 . 0 0 "[ . 1 .]" 1
1427 1 92 TYR HB2 1 130 ALA MB 3.575 . 5.172 3.675 2.840 4.206 . 0 0 "[ . 1 .]" 1
1428 1 100 LEU HG 1 103 TRP HZ3 4.185 . 6.374 5.274 4.141 5.778 . 0 0 "[ . 1 .]" 1
1429 1 100 LEU MD1 1 111 PHE QE 3.663 . 5.340 2.875 2.663 3.724 . 0 0 "[ . 1 .]" 1
1430 1 15 THR H 1 16 GLU H 2.361 . 3.058 2.372 2.220 2.563 . 0 0 "[ . 1 .]" 1
1431 1 22 ALA H 1 22 ALA HA 2.677 . 3.573 2.797 2.773 2.814 . 0 0 "[ . 1 .]" 1
1432 1 16 GLU H 1 16 GLU HA 2.937 . 4.015 2.919 2.905 2.933 . 0 0 "[ . 1 .]" 1
1433 1 12 ARG H 1 12 ARG HA 2.651 . 3.529 2.816 2.788 2.835 . 0 0 "[ . 1 .]" 1
1434 1 10 ALA H 1 10 ALA HA 2.527 . 3.325 2.808 2.781 2.827 . 0 0 "[ . 1 .]" 1
1435 1 26 ALA H 1 26 ALA HA 2.186 . 2.783 2.796 2.789 2.803 0.020 10 0 "[ . 1 .]" 1
1436 1 9 THR H 1 9 THR HA 2.877 . 3.911 2.810 2.789 2.828 . 0 0 "[ . 1 .]" 1
1437 1 20 ARG H 1 20 ARG HA 2.519 . 3.312 2.856 2.847 2.868 . 0 0 "[ . 1 .]" 1
1438 1 15 THR HA 1 15 THR HB 2.236 . 2.861 2.634 2.449 3.019 0.158 12 0 "[ . 1 .]" 1
1439 1 23 ARG H 1 23 ARG HA 2.358 . 3.053 2.838 2.820 2.846 . 0 0 "[ . 1 .]" 1
1440 1 25 ILE H 1 25 ILE HA 2.795 . 3.772 2.814 2.801 2.830 . 0 0 "[ . 1 .]" 1
1441 1 27 ASP H 1 27 ASP HA 2.574 . 3.402 2.842 2.832 2.849 . 0 0 "[ . 1 .]" 1
1442 1 33 ALA H 1 33 ALA MB 2.267 . 2.910 2.488 2.360 2.673 . 0 0 "[ . 1 .]" 1
1443 1 9 THR HA 1 9 THR MG 2.286 . 2.939 2.367 2.339 2.417 . 0 0 "[ . 1 .]" 1
1444 1 10 ALA HA 1 10 ALA MB 2.071 . 2.607 2.126 2.123 2.130 . 0 0 "[ . 1 .]" 1
1445 1 10 ALA H 1 10 ALA MB 2.217 . 2.832 2.230 2.209 2.242 . 0 0 "[ . 1 .]" 1
1446 1 14 ASP HA 1 14 ASP HB3 2.203 . 2.810 3.007 2.986 3.023 0.213 11 0 "[ . 1 .]" 1
1447 1 14 ASP HA 1 14 ASP HB2 2.723 . 3.650 2.372 2.307 2.480 . 0 0 "[ . 1 .]" 1
1448 1 22 ALA HA 1 22 ALA MB 2.141 . 2.714 2.128 2.123 2.130 . 0 0 "[ . 1 .]" 1
1449 1 21 ILE HA 1 21 ILE HB 2.423 . 3.157 3.026 3.022 3.027 . 0 0 "[ . 1 .]" 1
1450 1 33 ALA HA 1 33 ALA MB 2.149 . 2.726 2.134 2.130 2.139 . 0 0 "[ . 1 .]" 1
1451 1 38 VAL HA 1 39 GLY H 2.200 . 2.805 2.166 2.136 2.242 . 0 0 "[ . 1 .]" 1
1452 1 72 TRP HB3 1 73 ASN H 3.286 . 4.635 2.650 2.524 2.785 . 0 0 "[ . 1 .]" 1
1453 1 103 TRP HB2 1 103 TRP HE3 2.876 . 3.910 2.471 2.443 2.537 . 0 0 "[ . 1 .]" 1
1454 1 58 HIS HA 1 58 HIS HD2 4.893 . 7.886 4.168 2.954 4.698 . 0 0 "[ . 1 .]" 1
1455 1 55 HIS HB3 1 55 HIS HD2 2.912 . 3.972 3.328 2.702 3.981 0.009 1 0 "[ . 1 .]" 1
1456 1 62 TYR HB2 1 62 TYR QD 3.079 . 4.264 2.337 2.282 2.486 . 0 0 "[ . 1 .]" 1
1457 1 62 TYR HB3 1 62 TYR QD 3.398 . 4.841 2.531 2.345 2.630 . 0 0 "[ . 1 .]" 1
1458 1 40 TYR HB2 1 40 TYR QD 3.206 . 4.491 2.509 2.384 2.619 . 0 0 "[ . 1 .]" 1
1459 1 128 PHE HA 1 128 PHE QD 3.725 . 5.460 2.925 2.644 3.061 . 0 0 "[ . 1 .]" 1
1460 1 128 PHE HB2 1 128 PHE QD 3.255 . 4.579 2.403 2.304 2.504 . 0 0 "[ . 1 .]" 1
1461 1 128 PHE HB3 1 128 PHE QD 2.890 . 3.934 2.385 2.311 2.502 . 0 0 "[ . 1 .]" 1
1462 1 89 PHE HA 1 89 PHE QD 3.060 . 4.230 2.603 2.332 2.839 . 0 0 "[ . 1 .]" 1
1463 1 89 PHE HB2 1 89 PHE QD 3.055 . 4.222 2.529 2.422 2.638 . 0 0 "[ . 1 .]" 1
1464 1 89 PHE HB3 1 89 PHE QD 2.984 . 4.097 2.303 2.271 2.359 . 0 0 "[ . 1 .]" 1
1465 1 17 PHE HB2 1 17 PHE QD 3.473 . 4.981 2.446 2.320 2.552 . 0 0 "[ . 1 .]" 1
1466 1 17 PHE HB3 1 17 PHE QD 3.235 . 4.543 2.366 2.289 2.486 . 0 0 "[ . 1 .]" 1
1467 1 92 TYR HA 1 92 TYR QD 4.209 . 6.423 2.645 2.547 2.830 . 0 0 "[ . 1 .]" 1
1468 1 30 ASN HA 1 30 ASN HD21 4.159 . 6.321 3.714 2.901 4.454 . 0 0 "[ . 1 .]" 1
1469 1 30 ASN HB2 1 30 ASN HD21 3.141 . 4.374 2.696 2.223 3.461 . 0 0 "[ . 1 .]" 1
1470 1 51 ILE H 1 68 LEU HB3 2.535 . 3.338 3.032 2.740 3.261 . 0 0 "[ . 1 .]" 1
1471 1 122 LEU H 1 122 LEU HB3 3.449 . 4.936 3.703 3.666 3.726 . 0 0 "[ . 1 .]" 1
1472 1 95 ALA H 1 95 ALA MB 1.891 . 2.338 2.332 2.297 2.374 0.036 2 0 "[ . 1 .]" 1
1473 1 94 ALA H 1 94 ALA MB 2.085 . 2.628 2.233 2.210 2.253 . 0 0 "[ . 1 .]" 1
1474 1 120 LEU H 1 120 LEU HB3 2.792 . 3.766 3.025 2.642 3.169 . 0 0 "[ . 1 .]" 1
1475 1 80 LEU HA 1 80 LEU MD1 3.957 . 5.914 3.823 3.805 3.862 . 0 0 "[ . 1 .]" 1
1476 1 80 LEU HA 1 80 LEU MD2 2.334 . 3.015 2.043 2.009 2.094 . 0 0 "[ . 1 .]" 1
1477 1 37 VAL HA 1 38 VAL H 2.240 . 2.867 2.149 2.126 2.197 . 0 0 "[ . 1 .]" 1
1478 1 9 THR H 1 9 THR MG 3.010 . 4.143 3.744 3.728 3.755 . 0 0 "[ . 1 .]" 1
1479 1 49 VAL HA 1 50 ARG H 2.128 . 2.694 2.102 2.091 2.121 . 0 0 "[ . 1 .]" 1
1480 1 80 LEU HB2 1 80 LEU MD1 2.504 . 3.288 2.369 2.338 2.392 . 0 0 "[ . 1 .]" 1
1481 1 80 LEU MD1 1 80 LEU MD2 1.942 . 2.413 2.079 2.072 2.087 . 0 0 "[ . 1 .]" 1
1482 1 80 LEU HB3 1 80 LEU MD1 2.626 . 3.488 2.330 2.306 2.385 . 0 0 "[ . 1 .]" 1
1483 1 80 LEU MD1 1 80 LEU HG 2.193 . 2.794 2.125 2.121 2.127 . 0 0 "[ . 1 .]" 1
1484 1 68 LEU H 1 68 LEU MD2 3.768 . 5.543 4.379 4.305 4.686 . 0 0 "[ . 1 .]" 1
1485 1 68 LEU H 1 68 LEU HB2 3.426 . 4.893 3.112 2.960 3.501 . 0 0 "[ . 1 .]" 1
1486 1 27 ASP HB2 1 28 LEU H 4.169 . 6.342 3.973 3.908 4.067 . 0 0 "[ . 1 .]" 1
1487 1 25 ILE HA 1 26 ALA H 3.563 . 5.150 3.545 3.530 3.558 . 0 0 "[ . 1 .]" 1
1488 1 77 ILE H 1 77 ILE MG 4.359 . 6.734 3.771 3.752 3.786 . 0 0 "[ . 1 .]" 1
1489 1 37 VAL HB 1 38 VAL H 3.757 . 5.522 4.368 4.166 4.431 . 0 0 "[ . 1 .]" 1
1490 1 104 GLU H 1 104 GLU HB2 3.881 . 5.764 2.549 2.507 2.601 . 0 0 "[ . 1 .]" 1
1491 1 80 LEU HG 1 128 PHE QD 4.417 . 6.855 4.432 3.965 4.863 . 0 0 "[ . 1 .]" 1
1492 1 19 PRO HA 1 19 PRO HG2 2.979 . 4.088 3.938 3.912 3.974 . 0 0 "[ . 1 .]" 1
1493 1 99 LYS HB3 1 100 LEU H 2.752 . 3.699 3.447 2.746 3.731 0.032 1 0 "[ . 1 .]" 1
1494 1 11 ARG HA 1 14 ASP H 3.552 . 5.129 3.465 3.223 3.764 . 0 0 "[ . 1 .]" 1
1495 1 73 ASN HB2 1 76 GLU H 3.061 . 4.232 2.967 2.602 3.194 . 0 0 "[ . 1 .]" 1
1496 1 73 ASN HB3 1 76 GLU H 3.237 . 4.547 3.068 2.732 3.390 . 0 0 "[ . 1 .]" 1
1497 1 109 VAL MG2 1 111 PHE H 4.102 . 6.206 5.996 5.832 6.288 0.082 9 0 "[ . 1 .]" 1
1498 1 22 ALA H 1 37 VAL MG1 3.328 . 6.000 5.202 4.656 5.565 . 0 0 "[ . 1 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 53
_Distance_constraint_stats_list.Viol_count 18
_Distance_constraint_stats_list.Viol_total 158.330
_Distance_constraint_stats_list.Viol_max 1.331
_Distance_constraint_stats_list.Viol_rms 0.1170
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0133
_Distance_constraint_stats_list.Viol_average_violations_only 0.5864
_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 7 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 8 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 9 THR 0.000 0.000 . 0 "[ . 1 .]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 11 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 12 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 13 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 14 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 17 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 18 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 19 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 20 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 21 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 22 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 23 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 25 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 26 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 27 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 28 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 34 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 38 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 48 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 49 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 50 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 51 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 52 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 53 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 66 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 67 ASN 0.252 0.164 9 0 "[ . 1 .]"
1 68 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 69 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 70 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 71 THR 0.000 0.000 . 0 "[ . 1 .]"
1 73 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 74 THR 0.000 0.000 . 0 "[ . 1 .]"
1 75 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 76 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 77 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 79 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 80 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 81 MET 0.000 0.000 . 0 "[ . 1 .]"
1 82 GLU 0.028 0.028 12 0 "[ . 1 .]"
1 83 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 84 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 85 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 86 ALA 0.028 0.028 12 0 "[ . 1 .]"
1 87 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 88 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 89 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 90 GLU 0.201 0.201 9 0 "[ . 1 .]"
1 91 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 93 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 94 ALA 0.201 0.201 9 0 "[ . 1 .]"
1 95 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 96 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 97 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 98 ARG 0.009 0.009 9 0 "[ . 1 .]"
1 99 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 100 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 101 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 102 ALA 0.009 0.009 9 0 "[ . 1 .]"
1 103 TRP 0.000 0.000 . 0 "[ . 1 .]"
1 104 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 105 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 108 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 110 ASP 10.065 1.331 12 5 "[ * *1-+ *]"
1 112 GLY 3.810 1.109 12 5 "[ * *1-+ *]"
1 113 SER 6.255 1.331 12 5 "[ * *1-+ *]"
1 114 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 121 VAL 0.252 0.164 9 0 "[ . 1 .]"
1 123 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 126 LEU 0.000 0.000 . 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 PRO O 1 11 ARG H 2.200 . 2.700 2.111 1.965 2.387 . 0 0 "[ . 1 .]" 2
2 1 8 ASP O 1 12 ARG H 2.200 . 2.700 2.052 1.895 2.155 . 0 0 "[ . 1 .]" 2
3 1 9 THR O 1 13 PHE H 2.200 . 2.700 2.166 2.033 2.383 . 0 0 "[ . 1 .]" 2
4 1 10 ALA O 1 14 ASP H 2.200 . 2.700 2.092 2.006 2.218 . 0 0 "[ . 1 .]" 2
5 1 17 PHE O 1 20 ARG H 2.200 . 2.700 2.278 2.210 2.365 . 0 0 "[ . 1 .]" 2
6 1 18 ALA O 1 22 ALA H 2.200 . 2.700 2.039 1.873 2.172 . 0 0 "[ . 1 .]" 2
7 1 19 PRO O 1 23 ARG H 2.200 . 2.700 2.150 1.990 2.262 . 0 0 "[ . 1 .]" 2
8 1 20 ARG O 1 24 ALA H 2.200 . 2.700 2.147 1.995 2.341 . 0 0 "[ . 1 .]" 2
9 1 21 ILE O 1 25 ILE H 2.200 . 2.700 1.977 1.869 2.060 . 0 0 "[ . 1 .]" 2
10 1 22 ALA O 1 26 ALA H 2.200 . 2.700 2.064 1.949 2.161 . 0 0 "[ . 1 .]" 2
11 1 23 ARG O 1 27 ASP H 2.200 . 2.700 2.072 1.915 2.295 . 0 0 "[ . 1 .]" 2
12 1 24 ALA O 1 28 LEU H 2.200 . 2.700 2.097 1.967 2.283 . 0 0 "[ . 1 .]" 2
13 1 36 ASP H 1 50 ARG O 2.200 . 2.700 2.020 1.917 2.127 . 0 0 "[ . 1 .]" 2
14 1 38 VAL H 1 48 GLN O 2.200 . 2.700 1.980 1.805 2.112 . 0 0 "[ . 1 .]" 2
15 1 38 VAL O 1 48 GLN H 2.200 . 2.700 2.166 1.940 2.428 . 0 0 "[ . 1 .]" 2
16 1 36 ASP O 1 50 ARG H 2.200 . 2.700 2.121 2.027 2.295 . 0 0 "[ . 1 .]" 2
17 1 51 ILE H 1 68 LEU O 2.200 . 2.700 1.898 1.783 2.068 . 0 0 "[ . 1 .]" 2
18 1 34 HIS O 1 52 VAL H 2.200 . 2.700 1.870 1.802 1.987 . 0 0 "[ . 1 .]" 2
19 1 53 ALA H 1 66 LEU O 2.200 . 2.700 2.147 1.995 2.355 . 0 0 "[ . 1 .]" 2
20 1 51 ILE O 1 68 LEU H 2.200 . 2.700 2.095 1.999 2.370 . 0 0 "[ . 1 .]" 2
21 1 69 ALA H 1 121 VAL O 2.200 . 2.700 2.151 2.041 2.206 . 0 0 "[ . 1 .]" 2
22 1 49 VAL O 1 70 LEU H 2.200 . 2.700 2.140 1.961 2.390 . 0 0 "[ . 1 .]" 2
23 1 71 THR H 1 123 LEU O 2.200 . 2.700 2.132 2.031 2.269 . 0 0 "[ . 1 .]" 2
24 1 73 ASN H 1 126 LEU O 2.200 . 2.700 2.089 1.876 2.362 . 0 0 "[ . 1 .]" 2
25 1 73 ASN O 1 76 GLU H 2.200 . 2.700 2.461 2.373 2.569 . 0 0 "[ . 1 .]" 2
26 1 73 ASN O 1 77 ILE H 2.200 . 2.700 2.134 1.980 2.295 . 0 0 "[ . 1 .]" 2
27 1 74 THR O 1 78 GLU H 2.200 . 2.700 2.034 1.866 2.346 . 0 0 "[ . 1 .]" 2
28 1 75 ASP O 1 79 ARG H 2.200 . 2.700 2.041 1.900 2.266 . 0 0 "[ . 1 .]" 2
29 1 77 ILE O 1 80 LEU H 2.200 . 2.700 2.370 2.226 2.505 . 0 0 "[ . 1 .]" 2
30 1 78 GLU O 1 81 MET H 2.200 . 2.700 2.214 1.983 2.397 . 0 0 "[ . 1 .]" 2
31 1 79 ARG O 1 82 GLU H 2.200 . 2.700 2.071 1.954 2.244 . 0 0 "[ . 1 .]" 2
32 1 82 GLU O 1 85 GLY H 2.200 . 2.700 2.174 2.031 2.296 . 0 0 "[ . 1 .]" 2
33 1 82 GLU O 1 86 ALA H 2.200 . 2.700 2.175 1.952 2.728 0.028 12 0 "[ . 1 .]" 2
34 1 83 ALA O 1 87 ALA H 2.200 . 2.700 2.280 2.072 2.618 . 0 0 "[ . 1 .]" 2
35 1 84 ASP O 1 88 ARG H 2.200 . 2.700 2.366 2.152 2.526 . 0 0 "[ . 1 .]" 2
36 1 85 GLY O 1 89 PHE H 2.200 . 2.700 2.124 1.869 2.303 . 0 0 "[ . 1 .]" 2
37 1 86 ALA O 1 90 GLU H 2.200 . 2.700 2.196 2.046 2.346 . 0 0 "[ . 1 .]" 2
38 1 87 ALA O 1 91 ARG H 2.200 . 2.700 2.320 2.208 2.481 . 0 0 "[ . 1 .]" 2
39 1 89 PHE O 1 93 LEU H 2.200 . 2.700 2.142 2.038 2.304 . 0 0 "[ . 1 .]" 2
40 1 90 GLU O 1 94 ALA H 2.200 . 2.700 2.406 2.239 2.901 0.201 9 0 "[ . 1 .]" 2
41 1 95 ALA O 1 98 ARG H 2.200 . 2.700 2.305 2.188 2.422 . 0 0 "[ . 1 .]" 2
42 1 95 ALA O 1 99 LYS H 2.200 . 2.700 2.001 1.888 2.106 . 0 0 "[ . 1 .]" 2
43 1 96 LEU O 1 100 LEU H 2.200 . 2.700 1.912 1.788 2.008 . 0 0 "[ . 1 .]" 2
44 1 97 PRO O 1 101 ALA H 2.200 . 2.700 2.232 2.084 2.356 . 0 0 "[ . 1 .]" 2
45 1 98 ARG O 1 102 ALA H 2.200 . 2.700 2.308 2.151 2.709 0.009 9 0 "[ . 1 .]" 2
46 1 99 LYS O 1 103 TRP H 2.200 . 2.700 2.061 1.955 2.234 . 0 0 "[ . 1 .]" 2
47 1 100 LEU O 1 104 GLU H 2.200 . 2.700 2.156 2.019 2.293 . 0 0 "[ . 1 .]" 2
48 1 101 ALA O 1 105 ASN H 2.200 . 2.700 2.284 2.112 2.466 . 0 0 "[ . 1 .]" 2
49 1 104 GLU O 1 108 GLY H 2.200 . 2.700 2.469 2.299 2.610 . 0 0 "[ . 1 .]" 2
50 1 110 ASP OD1 1 112 GLY H 2.200 . 2.700 2.814 2.241 3.809 1.109 12 5 "[ * *1-+ *]" 2
51 1 110 ASP OD1 1 113 SER H 2.200 . 2.700 2.639 1.746 4.031 1.331 12 5 "[ * *1-+ *]" 2
52 1 110 ASP O 1 114 ARG H 2.200 . 2.700 2.335 2.076 2.537 . 0 0 "[ . 1 .]" 2
53 1 67 ASN O 1 121 VAL H 2.200 . 2.700 2.645 2.435 2.864 0.164 9 0 "[ . 1 .]" 2
stop_
save_
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