NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
408053 |
1ynx   |
6606 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ynx
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 964
_Distance_constraint_stats_list.Viol_count 2630
_Distance_constraint_stats_list.Viol_total 5860.861
_Distance_constraint_stats_list.Viol_max 0.498
_Distance_constraint_stats_list.Viol_rms 0.0451
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0126
_Distance_constraint_stats_list.Viol_average_violations_only 0.1013
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ARG 3.249 0.255 20 0 "[ . 1 . 2 ]"
1 3 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 4 ILE 3.780 0.388 11 0 "[ . 1 . 2 ]"
1 5 PHE 0.961 0.388 11 0 "[ . 1 . 2 ]"
1 6 ALA 0.034 0.034 6 0 "[ . 1 . 2 ]"
1 7 ILE 0.308 0.067 21 0 "[ . 1 . 2 ]"
1 8 GLU 0.825 0.123 6 0 "[ . 1 . 2 ]"
1 9 GLN 4.479 0.273 18 0 "[ . 1 . 2 ]"
1 10 LEU 13.468 0.290 21 0 "[ . 1 . 2 ]"
1 11 SER 5.456 0.187 15 0 "[ . 1 . 2 ]"
1 12 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 13 TYR 0.729 0.090 19 0 "[ . 1 . 2 ]"
1 14 GLN 10.592 0.255 20 0 "[ . 1 . 2 ]"
1 15 ASN 0.472 0.128 13 0 "[ . 1 . 2 ]"
1 16 VAL 0.472 0.128 13 0 "[ . 1 . 2 ]"
1 17 TRP 6.785 0.199 16 0 "[ . 1 . 2 ]"
1 18 THR 1.805 0.165 13 0 "[ . 1 . 2 ]"
1 19 ILE 3.854 0.314 11 0 "[ . 1 . 2 ]"
1 20 LYS 6.512 0.300 11 0 "[ . 1 . 2 ]"
1 21 ALA 2.655 0.154 8 0 "[ . 1 . 2 ]"
1 22 ARG 5.166 0.268 20 0 "[ . 1 . 2 ]"
1 23 VAL 8.975 0.345 15 0 "[ . 1 . 2 ]"
1 24 SER 0.324 0.077 21 0 "[ . 1 . 2 ]"
1 25 TYR 0.315 0.079 3 0 "[ . 1 . 2 ]"
1 26 LYS 1.246 0.183 18 0 "[ . 1 . 2 ]"
1 27 GLY 6.995 0.330 7 0 "[ . 1 . 2 ]"
1 28 GLU 10.974 0.412 18 0 "[ . 1 . 2 ]"
1 29 ILE 20.285 0.475 17 0 "[ . 1 . 2 ]"
1 30 LYS 15.958 0.498 20 0 "[ . 1 . 2 ]"
1 31 THR 9.583 0.498 20 0 "[ . 1 . 2 ]"
1 32 TRP 11.975 0.317 5 0 "[ . 1 . 2 ]"
1 35 GLN 0.479 0.062 8 0 "[ . 1 . 2 ]"
1 36 ARG 2.199 0.154 2 0 "[ . 1 . 2 ]"
1 37 GLY 1.476 0.154 2 0 "[ . 1 . 2 ]"
1 38 ASP 2.361 0.230 5 0 "[ . 1 . 2 ]"
1 39 GLY 2.257 0.235 4 0 "[ . 1 . 2 ]"
1 40 LYS 9.167 0.334 6 0 "[ . 1 . 2 ]"
1 41 LEU 11.433 0.475 17 0 "[ . 1 . 2 ]"
1 42 PHE 3.784 0.404 4 0 "[ . 1 . 2 ]"
1 43 ASN 2.501 0.291 5 0 "[ . 1 . 2 ]"
1 44 VAL 6.363 0.305 1 0 "[ . 1 . 2 ]"
1 45 ASN 4.011 0.170 19 0 "[ . 1 . 2 ]"
1 46 PHE 1.553 0.448 17 0 "[ . 1 . 2 ]"
1 47 LEU 6.578 0.448 17 0 "[ . 1 . 2 ]"
1 48 ASP 4.044 0.233 13 0 "[ . 1 . 2 ]"
1 49 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 50 SER 0.163 0.067 21 0 "[ . 1 . 2 ]"
1 51 GLY 0.970 0.123 6 0 "[ . 1 . 2 ]"
1 52 GLU 0.015 0.013 5 0 "[ . 1 . 2 ]"
1 53 ILE 0.909 0.098 6 0 "[ . 1 . 2 ]"
1 54 ARG 2.465 0.145 18 0 "[ . 1 . 2 ]"
1 55 ALA 0.457 0.096 5 0 "[ . 1 . 2 ]"
1 56 THR 3.911 0.305 1 0 "[ . 1 . 2 ]"
1 57 ALA 6.029 0.404 4 0 "[ . 1 . 2 ]"
1 58 PHE 3.059 0.187 13 0 "[ . 1 . 2 ]"
1 59 ASN 0.131 0.123 5 0 "[ . 1 . 2 ]"
1 60 ASP 0.136 0.083 5 0 "[ . 1 . 2 ]"
1 61 PHE 6.422 0.243 11 0 "[ . 1 . 2 ]"
1 62 ALA 1.425 0.214 5 0 "[ . 1 . 2 ]"
1 63 THR 3.066 0.174 10 0 "[ . 1 . 2 ]"
1 64 LYS 12.731 0.243 11 0 "[ . 1 . 2 ]"
1 65 PHE 6.267 0.282 1 0 "[ . 1 . 2 ]"
1 66 ASN 14.925 0.464 13 0 "[ . 1 . 2 ]"
1 67 GLU 7.809 0.345 2 0 "[ . 1 . 2 ]"
1 68 ILE 1.197 0.160 13 0 "[ . 1 . 2 ]"
1 69 LEU 5.149 0.161 22 0 "[ . 1 . 2 ]"
1 70 GLN 29.854 0.297 1 0 "[ . 1 . 2 ]"
1 71 GLU 16.722 0.345 15 0 "[ . 1 . 2 ]"
1 72 GLY 0.558 0.160 13 0 "[ . 1 . 2 ]"
1 73 LYS 5.432 0.221 2 0 "[ . 1 . 2 ]"
1 74 VAL 3.875 0.183 13 0 "[ . 1 . 2 ]"
1 75 TYR 10.142 0.495 9 0 "[ . 1 . 2 ]"
1 76 TYR 10.472 0.495 9 0 "[ . 1 . 2 ]"
1 77 VAL 0.964 0.188 11 0 "[ . 1 . 2 ]"
1 78 SER 0.278 0.126 21 0 "[ . 1 . 2 ]"
1 79 LYS 9.065 0.338 11 0 "[ . 1 . 2 ]"
1 80 ALA 4.283 0.338 11 0 "[ . 1 . 2 ]"
1 81 LYS 3.957 0.146 10 0 "[ . 1 . 2 ]"
1 82 LEU 7.595 0.305 18 0 "[ . 1 . 2 ]"
1 83 GLN 2.189 0.323 18 0 "[ . 1 . 2 ]"
1 84 PRO 1.547 0.108 14 0 "[ . 1 . 2 ]"
1 85 ALA 2.212 0.108 14 0 "[ . 1 . 2 ]"
1 86 LYS 1.667 0.130 18 0 "[ . 1 . 2 ]"
1 87 PRO 3.416 0.198 15 0 "[ . 1 . 2 ]"
1 88 GLN 3.718 0.441 5 0 "[ . 1 . 2 ]"
1 89 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 90 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 91 ASN 0.985 0.430 11 0 "[ . 1 . 2 ]"
1 92 LEU 0.712 0.223 19 0 "[ . 1 . 2 ]"
1 93 THR 0.397 0.213 13 0 "[ . 1 . 2 ]"
1 94 HIS 0.412 0.213 13 0 "[ . 1 . 2 ]"
1 95 PRO 2.032 0.140 17 0 "[ . 1 . 2 ]"
1 96 TYR 6.493 0.323 18 0 "[ . 1 . 2 ]"
1 97 GLU 5.725 0.429 14 0 "[ . 1 . 2 ]"
1 98 LEU 6.809 0.429 14 0 "[ . 1 . 2 ]"
1 99 ASN 0.119 0.027 13 0 "[ . 1 . 2 ]"
1 100 LEU 3.202 0.232 8 0 "[ . 1 . 2 ]"
1 101 ASP 4.889 0.201 10 0 "[ . 1 . 2 ]"
1 102 ARG 7.176 0.220 11 0 "[ . 1 . 2 ]"
1 103 ASP 5.373 0.220 11 0 "[ . 1 . 2 ]"
1 104 THR 5.054 0.232 8 0 "[ . 1 . 2 ]"
1 105 VAL 1.821 0.151 21 0 "[ . 1 . 2 ]"
1 106 ILE 4.724 0.301 21 0 "[ . 1 . 2 ]"
1 107 GLU 4.432 0.301 21 0 "[ . 1 . 2 ]"
1 108 GLU 6.058 0.221 2 0 "[ . 1 . 2 ]"
1 109 CYS 0.439 0.075 16 0 "[ . 1 . 2 ]"
1 110 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 111 ASP 1.014 0.229 8 0 "[ . 1 . 2 ]"
1 112 GLU 1.079 0.229 8 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 92 LEU HA 1 92 LEU MD2 4.730 . 4.730 2.393 1.917 4.091 . 0 0 "[ . 1 . 2 ]" 1
2 1 10 LEU HA 1 10 LEU MD2 4.720 . 4.720 2.208 1.901 3.689 . 0 0 "[ . 1 . 2 ]" 1
3 1 105 VAL H 1 105 VAL MG1 4.660 . 4.660 3.818 3.759 3.850 . 0 0 "[ . 1 . 2 ]" 1
4 1 29 ILE MD 1 29 ILE MG 3.900 . 3.900 2.403 2.049 2.751 . 0 0 "[ . 1 . 2 ]" 1
5 1 69 LEU H 1 69 LEU MD1 5.780 . 5.780 3.867 3.397 4.163 . 0 0 "[ . 1 . 2 ]" 1
6 1 74 VAL H 1 74 VAL MG1 4.630 . 4.630 2.815 2.019 3.798 . 0 0 "[ . 1 . 2 ]" 1
7 1 29 ILE H 1 29 ILE MD 5.840 . 5.840 3.289 2.680 3.623 . 0 0 "[ . 1 . 2 ]" 1
8 1 30 LYS HB3 1 30 LYS HD2 4.240 . 4.240 3.133 2.160 3.782 . 0 0 "[ . 1 . 2 ]" 1
9 1 81 LYS HA 1 81 LYS HG3 4.170 . 4.170 3.770 3.757 3.788 . 0 0 "[ . 1 . 2 ]" 1
10 1 14 GLN HA 1 14 GLN HG2 3.930 . 3.930 3.357 2.766 3.716 . 0 0 "[ . 1 . 2 ]" 1
11 1 81 LYS HA 1 81 LYS HD3 3.860 . 3.860 1.986 1.971 1.998 . 0 0 "[ . 1 . 2 ]" 1
12 1 102 ARG H 1 102 ARG HB2 3.840 . 3.840 2.476 2.405 2.684 . 0 0 "[ . 1 . 2 ]" 1
13 1 32 TRP HB3 1 32 TRP HE3 3.760 . 3.760 3.651 2.570 4.048 0.288 10 0 "[ . 1 . 2 ]" 1
14 1 64 LYS H 1 64 LYS HB3 3.730 . 3.730 1.934 1.924 1.946 . 0 0 "[ . 1 . 2 ]" 1
15 1 64 LYS H 1 64 LYS HB2 3.720 . 3.720 3.051 3.006 3.079 . 0 0 "[ . 1 . 2 ]" 1
16 1 68 ILE HA 1 68 ILE HG13 3.710 . 3.710 3.273 2.913 3.697 . 0 0 "[ . 1 . 2 ]" 1
17 1 36 ARG HB3 1 36 ARG HD3 3.690 . 3.690 3.056 2.543 3.698 0.008 16 0 "[ . 1 . 2 ]" 1
18 1 14 GLN H 1 14 GLN HB3 3.630 . 3.630 2.604 2.430 2.777 . 0 0 "[ . 1 . 2 ]" 1
19 1 53 ILE HG13 1 53 ILE MG 3.600 . 3.600 3.182 3.166 3.188 . 0 0 "[ . 1 . 2 ]" 1
20 1 88 GLN HA 1 88 GLN HG2 3.590 . 3.590 3.273 3.090 3.536 . 0 0 "[ . 1 . 2 ]" 1
21 1 79 LYS HB3 1 79 LYS HD3 3.580 . 3.580 2.341 2.056 2.964 . 0 0 "[ . 1 . 2 ]" 1
22 1 64 LYS H 1 64 LYS HD2 . . 4.270 4.375 4.307 4.429 0.159 5 0 "[ . 1 . 2 ]" 1
23 1 20 LYS HE3 1 20 LYS HG2 3.570 . 3.570 3.527 2.263 3.607 0.037 1 0 "[ . 1 . 2 ]" 1
24 1 102 ARG H 1 102 ARG HB3 3.540 . 3.540 3.579 3.519 3.745 0.205 20 0 "[ . 1 . 2 ]" 1
25 1 102 ARG HA 1 102 ARG HG3 3.500 . 3.500 3.245 3.177 3.454 . 0 0 "[ . 1 . 2 ]" 1
26 1 64 LYS HB3 1 64 LYS HD2 3.460 . 3.460 2.917 2.896 2.934 . 0 0 "[ . 1 . 2 ]" 1
27 1 36 ARG HA 1 36 ARG HG2 3.440 . 3.440 2.612 2.393 3.021 . 0 0 "[ . 1 . 2 ]" 1
28 1 102 ARG H 1 102 ARG HG2 3.350 . 3.350 3.154 3.011 3.421 0.071 4 0 "[ . 1 . 2 ]" 1
29 1 102 ARG HB2 1 102 ARG HD2 3.350 . 3.350 2.772 2.539 3.269 . 0 0 "[ . 1 . 2 ]" 1
30 1 79 LYS HA 1 79 LYS HG2 3.260 . 3.260 2.523 2.351 3.122 . 0 0 "[ . 1 . 2 ]" 1
31 1 73 LYS HB3 1 73 LYS HD3 3.220 . 3.220 2.447 2.376 2.559 . 0 0 "[ . 1 . 2 ]" 1
32 1 79 LYS HD2 1 79 LYS HG3 3.040 . 3.040 2.428 2.329 2.533 . 0 0 "[ . 1 . 2 ]" 1
33 1 79 LYS HB2 1 79 LYS HG3 2.990 . 2.990 2.325 2.248 2.427 . 0 0 "[ . 1 . 2 ]" 1
34 1 40 LYS HB2 1 40 LYS HG2 2.980 . 2.980 3.024 3.008 3.036 0.056 5 0 "[ . 1 . 2 ]" 1
35 1 40 LYS HB3 1 40 LYS HD3 3.980 . 3.980 3.040 2.953 3.164 . 0 0 "[ . 1 . 2 ]" 1
36 1 35 GLN HA 1 35 GLN HB3 2.970 . 2.970 2.704 2.504 3.032 0.062 8 0 "[ . 1 . 2 ]" 1
37 1 81 LYS HB3 1 81 LYS HG2 2.970 . 2.970 3.019 3.015 3.031 0.061 12 0 "[ . 1 . 2 ]" 1
38 1 67 GLU HB2 1 67 GLU HG2 2.960 . 2.960 3.025 3.022 3.027 0.067 10 0 "[ . 1 . 2 ]" 1
39 1 28 GLU HB2 1 28 GLU HG3 2.960 . 2.960 2.410 2.355 2.626 . 0 0 "[ . 1 . 2 ]" 1
40 1 112 GLU HB2 1 112 GLU HG3 2.960 . 2.960 2.473 2.443 3.025 0.065 1 0 "[ . 1 . 2 ]" 1
41 1 36 ARG HB3 1 36 ARG HG2 2.950 . 2.950 2.568 2.463 3.025 0.075 4 0 "[ . 1 . 2 ]" 1
42 1 36 ARG HD3 1 36 ARG HG2 2.930 . 2.930 2.562 2.414 3.030 0.100 20 0 "[ . 1 . 2 ]" 1
43 1 14 GLN HB2 1 14 GLN HG3 2.850 . 2.850 2.795 2.434 3.013 0.163 16 0 "[ . 1 . 2 ]" 1
44 1 102 ARG HD3 1 102 ARG HG2 2.850 . 2.850 2.462 2.429 2.539 . 0 0 "[ . 1 . 2 ]" 1
45 1 81 LYS HB3 1 81 LYS HD3 2.740 . 2.740 2.847 2.386 2.886 0.146 10 0 "[ . 1 . 2 ]" 1
46 1 14 GLN HB3 1 14 GLN HG2 2.710 . 2.710 2.402 2.364 2.487 . 0 0 "[ . 1 . 2 ]" 1
47 1 30 LYS HB3 1 30 LYS HG2 2.690 . 2.690 2.726 2.510 3.013 0.323 8 0 "[ . 1 . 2 ]" 1
48 1 102 ARG HB3 1 102 ARG HG2 2.650 . 2.650 2.536 2.516 2.572 . 0 0 "[ . 1 . 2 ]" 1
49 1 81 LYS HD2 1 81 LYS HG3 2.640 . 2.640 2.414 2.232 2.436 . 0 0 "[ . 1 . 2 ]" 1
50 1 67 GLU HA 1 67 GLU HB2 2.630 . 2.630 2.547 2.529 2.574 . 0 0 "[ . 1 . 2 ]" 1
51 1 88 GLN HB2 1 88 GLN HG3 2.510 . 2.510 2.572 2.257 2.951 0.441 5 0 "[ . 1 . 2 ]" 1
52 1 40 LYS HD2 1 40 LYS HG3 2.400 . 2.400 2.413 2.391 2.437 0.037 8 0 "[ . 1 . 2 ]" 1
53 1 36 ARG HB2 1 36 ARG HG3 2.400 . 2.400 2.437 2.423 2.464 0.064 20 0 "[ . 1 . 2 ]" 1
54 1 64 LYS HA 1 64 LYS HD2 5.500 . 5.500 4.996 4.984 5.009 . 0 0 "[ . 1 . 2 ]" 1
55 1 64 LYS HB3 1 64 LYS HD3 3.220 . 3.220 2.185 2.148 2.210 . 0 0 "[ . 1 . 2 ]" 1
56 1 88 GLN HA 1 88 GLN HB3 2.470 . 2.470 2.464 2.346 2.578 0.108 5 0 "[ . 1 . 2 ]" 1
57 1 91 ASN HA 1 91 ASN HB2 2.570 . 2.570 2.579 2.495 3.000 0.430 11 0 "[ . 1 . 2 ]" 1
58 1 22 ARG HD3 1 22 ARG HG2 2.720 . 2.720 2.476 2.409 2.603 . 0 0 "[ . 1 . 2 ]" 1
59 1 28 GLU HB3 1 28 GLU HG2 2.770 . 2.770 2.550 2.491 2.965 0.195 18 0 "[ . 1 . 2 ]" 1
60 1 68 ILE HA 1 68 ILE HG12 3.770 . 3.770 2.821 2.498 3.285 . 0 0 "[ . 1 . 2 ]" 1
61 1 8 GLU HA 1 8 GLU HG3 3.820 . 3.820 3.050 3.018 3.115 . 0 0 "[ . 1 . 2 ]" 1
62 1 36 ARG HB2 1 36 ARG HD2 3.850 . 3.850 3.075 2.462 3.698 . 0 0 "[ . 1 . 2 ]" 1
63 1 28 GLU HA 1 28 GLU HG2 3.870 . 3.870 3.601 2.741 3.758 . 0 0 "[ . 1 . 2 ]" 1
64 1 112 GLU HA 1 112 GLU HG3 4.100 . 4.100 2.726 2.484 3.706 . 0 0 "[ . 1 . 2 ]" 1
65 1 102 ARG HB3 1 102 ARG HD2 4.130 . 4.130 2.728 2.358 2.897 . 0 0 "[ . 1 . 2 ]" 1
66 1 35 GLN HA 1 35 GLN HG3 4.250 . 4.250 2.794 2.442 2.979 . 0 0 "[ . 1 . 2 ]" 1
67 1 64 LYS H 1 64 LYS QE 4.390 . 4.390 4.439 4.395 4.510 0.120 9 0 "[ . 1 . 2 ]" 1
68 1 64 LYS HB3 1 64 LYS QE 4.500 . 4.500 3.785 3.758 3.808 . 0 0 "[ . 1 . 2 ]" 1
69 1 94 HIS HA 1 94 HIS HD1 4.680 . 4.680 3.453 2.348 4.687 0.007 21 0 "[ . 1 . 2 ]" 1
70 1 40 LYS HA 1 40 LYS HD3 4.770 . 4.770 4.176 3.955 4.286 . 0 0 "[ . 1 . 2 ]" 1
71 1 102 ARG HA 1 102 ARG HD2 5.500 . 5.500 4.484 4.109 4.650 . 0 0 "[ . 1 . 2 ]" 1
72 1 99 ASN HA 1 99 ASN HD22 5.500 . 5.500 4.459 4.144 4.993 . 0 0 "[ . 1 . 2 ]" 1
73 1 14 GLN HA 1 14 GLN HE21 5.500 . 5.500 3.643 2.693 4.947 . 0 0 "[ . 1 . 2 ]" 1
74 1 14 GLN HB2 1 14 GLN HE22 5.500 . 5.500 4.332 3.745 4.630 . 0 0 "[ . 1 . 2 ]" 1
75 1 63 THR H 1 63 THR HB 4.200 . 4.200 2.464 2.414 2.484 . 0 0 "[ . 1 . 2 ]" 1
76 1 83 GLN HB3 1 83 GLN HE22 5.500 . 5.500 3.962 3.380 4.768 . 0 0 "[ . 1 . 2 ]" 1
77 1 88 GLN HB3 1 88 GLN HE22 5.180 . 5.180 4.719 4.044 5.120 . 0 0 "[ . 1 . 2 ]" 1
78 1 88 GLN HA 1 88 GLN HE21 5.500 . 5.500 3.710 3.498 4.822 . 0 0 "[ . 1 . 2 ]" 1
79 1 9 GLN HA 1 9 GLN HE21 4.910 . 4.910 4.277 3.458 5.036 0.126 16 0 "[ . 1 . 2 ]" 1
80 1 43 ASN HA 1 43 ASN HD22 5.500 . 5.500 4.700 3.582 5.368 . 0 0 "[ . 1 . 2 ]" 1
81 1 65 PHE H 1 65 PHE QE 5.500 . 5.500 5.508 5.414 5.620 0.120 1 0 "[ . 1 . 2 ]" 1
82 1 67 GLU H 1 67 GLU HG3 4.820 . 4.820 4.240 4.199 4.269 . 0 0 "[ . 1 . 2 ]" 1
83 1 67 GLU H 1 67 GLU HB3 3.580 . 3.580 2.602 2.557 2.643 . 0 0 "[ . 1 . 2 ]" 1
84 1 68 ILE H 1 68 ILE HG13 4.690 . 4.690 2.654 1.967 3.598 . 0 0 "[ . 1 . 2 ]" 1
85 1 68 ILE H 1 68 ILE HG12 4.340 . 4.340 2.832 1.987 3.490 . 0 0 "[ . 1 . 2 ]" 1
86 1 79 LYS H 1 79 LYS HD3 4.990 . 4.990 4.637 2.854 5.198 0.208 19 0 "[ . 1 . 2 ]" 1
87 1 79 LYS H 1 79 LYS HG2 4.480 . 4.480 2.662 2.359 3.124 . 0 0 "[ . 1 . 2 ]" 1
88 1 9 GLN H 1 9 GLN HG2 4.960 . 4.960 2.926 1.974 4.373 . 0 0 "[ . 1 . 2 ]" 1
89 1 9 GLN H 1 9 GLN HB3 3.900 . 3.900 3.509 2.565 3.703 . 0 0 "[ . 1 . 2 ]" 1
90 1 97 GLU H 1 97 GLU HG3 5.000 . 5.000 3.003 2.483 3.980 . 0 0 "[ . 1 . 2 ]" 1
91 1 102 ARG H 1 102 ARG HD2 5.380 . 5.380 4.299 3.975 5.068 . 0 0 "[ . 1 . 2 ]" 1
92 1 61 PHE H 1 61 PHE HD1 5.500 . 5.500 3.875 2.959 4.399 . 0 0 "[ . 1 . 2 ]" 1
93 1 36 ARG H 1 36 ARG HG2 5.190 . 5.190 3.438 2.000 4.437 . 0 0 "[ . 1 . 2 ]" 1
94 1 61 PHE H 1 61 PHE HE1 5.500 . 5.500 5.185 4.428 5.600 0.100 22 0 "[ . 1 . 2 ]" 1
95 1 98 LEU H 1 98 LEU HG 5.220 . 5.220 4.093 2.719 4.860 . 0 0 "[ . 1 . 2 ]" 1
96 1 28 GLU H 1 28 GLU HG2 3.960 . 3.960 3.570 2.380 4.166 0.206 14 0 "[ . 1 . 2 ]" 1
97 1 69 LEU H 1 69 LEU HG 4.310 . 4.310 3.851 2.105 4.404 0.094 12 0 "[ . 1 . 2 ]" 1
98 1 103 ASP H 1 103 ASP HB3 4.030 . 4.030 2.979 2.427 3.541 . 0 0 "[ . 1 . 2 ]" 1
99 1 46 PHE H 1 46 PHE HD1 5.220 . 5.220 4.416 2.294 4.925 . 0 0 "[ . 1 . 2 ]" 1
100 1 88 GLN H 1 88 GLN HG2 4.280 . 4.280 2.244 1.960 4.101 . 0 0 "[ . 1 . 2 ]" 1
101 1 76 TYR H 1 76 TYR QD 4.800 . 4.800 2.924 2.277 3.804 . 0 0 "[ . 1 . 2 ]" 1
102 1 58 PHE H 1 58 PHE HE1 5.500 . 5.500 5.142 4.754 5.547 0.047 13 0 "[ . 1 . 2 ]" 1
103 1 14 GLN H 1 14 GLN HG2 4.390 . 4.390 4.506 4.458 4.541 0.151 14 0 "[ . 1 . 2 ]" 1
104 1 66 ASN H 1 66 ASN QD 4.790 . 4.790 4.627 4.260 4.694 . 0 0 "[ . 1 . 2 ]" 1
105 1 58 PHE H 1 58 PHE HD1 4.670 . 4.670 2.757 2.479 3.114 . 0 0 "[ . 1 . 2 ]" 1
106 1 19 ILE H 1 19 ILE HG12 5.250 . 5.250 4.267 3.031 4.684 . 0 0 "[ . 1 . 2 ]" 1
107 1 10 LEU H 1 10 LEU HG 4.430 . 4.430 3.188 1.976 4.408 . 0 0 "[ . 1 . 2 ]" 1
108 1 10 LEU H 1 10 LEU HB2 3.900 . 3.900 2.098 1.951 2.994 . 0 0 "[ . 1 . 2 ]" 1
109 1 8 GLU H 1 8 GLU HG3 4.290 . 4.290 2.084 1.996 2.343 . 0 0 "[ . 1 . 2 ]" 1
110 1 81 LYS H 1 81 LYS HE3 5.500 . 5.500 4.702 3.391 5.509 0.009 6 0 "[ . 1 . 2 ]" 1
111 1 81 LYS H 1 81 LYS HB2 4.130 . 4.130 2.427 2.390 2.466 . 0 0 "[ . 1 . 2 ]" 1
112 1 81 LYS H 1 81 LYS HD3 4.260 . 4.260 3.690 3.560 3.880 . 0 0 "[ . 1 . 2 ]" 1
113 1 81 LYS H 1 81 LYS HG3 4.520 . 4.520 3.421 3.341 3.533 . 0 0 "[ . 1 . 2 ]" 1
114 1 17 TRP H 1 17 TRP HD1 5.420 . 5.420 3.873 3.454 4.470 . 0 0 "[ . 1 . 2 ]" 1
115 1 74 VAL H 1 74 VAL HB 3.850 . 3.850 3.238 2.341 3.742 . 0 0 "[ . 1 . 2 ]" 1
116 1 70 GLN H 1 70 GLN HE22 5.250 . 5.250 5.433 5.330 5.515 0.265 22 0 "[ . 1 . 2 ]" 1
117 1 70 GLN H 1 70 GLN HG2 4.480 . 4.480 4.673 4.634 4.744 0.264 10 0 "[ . 1 . 2 ]" 1
118 1 70 GLN H 1 70 GLN HB2 3.710 . 3.710 2.331 2.228 2.425 . 0 0 "[ . 1 . 2 ]" 1
119 1 83 GLN H 1 83 GLN HG2 4.200 . 4.200 3.026 2.400 3.756 . 0 0 "[ . 1 . 2 ]" 1
120 1 73 LYS H 1 73 LYS HG3 4.800 . 4.800 4.363 4.289 4.400 . 0 0 "[ . 1 . 2 ]" 1
121 1 73 LYS H 1 73 LYS HD3 4.200 . 4.200 1.972 1.920 2.078 . 0 0 "[ . 1 . 2 ]" 1
122 1 73 LYS H 1 73 LYS HE2 5.140 . 5.140 3.970 3.520 4.252 . 0 0 "[ . 1 . 2 ]" 1
123 1 86 LYS H 1 86 LYS HD3 4.450 . 4.450 2.999 2.002 3.692 . 0 0 "[ . 1 . 2 ]" 1
124 1 86 LYS H 1 86 LYS HG3 3.770 . 3.770 3.384 2.359 3.802 0.032 5 0 "[ . 1 . 2 ]" 1
125 1 86 LYS H 1 86 LYS HG2 4.280 . 4.280 3.583 1.990 4.289 0.009 6 0 "[ . 1 . 2 ]" 1
126 1 41 LEU H 1 41 LEU HB2 3.320 . 3.320 3.045 2.564 3.294 . 0 0 "[ . 1 . 2 ]" 1
127 1 96 TYR H 1 96 TYR HD2 5.320 . 5.320 5.008 4.338 5.407 0.087 21 0 "[ . 1 . 2 ]" 1
128 1 42 PHE H 1 42 PHE QD 5.150 . 5.150 3.072 2.422 3.818 . 0 0 "[ . 1 . 2 ]" 1
129 1 22 ARG H 1 22 ARG HD3 3.880 . 3.880 3.991 3.910 4.044 0.164 21 0 "[ . 1 . 2 ]" 1
130 1 22 ARG H 1 22 ARG HB3 4.170 . 4.170 2.286 2.207 2.372 . 0 0 "[ . 1 . 2 ]" 1
131 1 29 ILE H 1 29 ILE HG13 4.310 . 4.310 2.676 2.331 2.820 . 0 0 "[ . 1 . 2 ]" 1
132 1 29 ILE H 1 29 ILE HB 4.020 . 4.020 2.513 2.323 2.582 . 0 0 "[ . 1 . 2 ]" 1
133 1 25 TYR H 1 25 TYR QD 5.040 . 5.040 4.276 4.241 4.314 . 0 0 "[ . 1 . 2 ]" 1
134 1 4 ILE H 1 4 ILE HG13 4.180 . 4.180 2.308 1.974 3.519 . 0 0 "[ . 1 . 2 ]" 1
135 1 4 ILE H 1 4 ILE HG12 4.170 . 4.170 3.495 1.982 4.265 0.095 2 0 "[ . 1 . 2 ]" 1
136 1 4 ILE H 1 4 ILE HB 3.900 . 3.900 2.312 1.996 2.569 . 0 0 "[ . 1 . 2 ]" 1
137 1 32 TRP H 1 32 TRP HE3 4.670 . 4.670 4.703 4.346 4.904 0.234 8 0 "[ . 1 . 2 ]" 1
138 1 75 TYR H 1 75 TYR HD1 4.930 . 4.930 2.006 1.918 2.337 . 0 0 "[ . 1 . 2 ]" 1
139 1 32 TRP H 1 32 TRP HD1 4.550 . 4.550 2.407 2.077 2.703 . 0 0 "[ . 1 . 2 ]" 1
140 1 43 ASN H 1 43 ASN HB3 4.140 . 4.140 3.149 2.437 3.799 . 0 0 "[ . 1 . 2 ]" 1
141 1 71 GLU H 1 71 GLU HG3 3.160 . 3.160 2.355 2.192 2.406 . 0 0 "[ . 1 . 2 ]" 1
142 1 47 LEU H 1 47 LEU HG 4.670 . 4.670 4.467 4.431 4.703 0.033 16 0 "[ . 1 . 2 ]" 1
143 1 53 ILE H 1 53 ILE HG13 5.500 . 5.500 4.608 4.557 4.640 . 0 0 "[ . 1 . 2 ]" 1
144 1 53 ILE H 1 53 ILE MG 4.270 . 4.270 1.971 1.930 2.026 . 0 0 "[ . 1 . 2 ]" 1
145 1 20 LYS H 1 20 LYS HE3 4.700 . 4.700 4.712 4.581 4.762 0.062 8 0 "[ . 1 . 2 ]" 1
146 1 100 LEU H 1 100 LEU HB2 2.550 . 2.550 2.569 2.413 2.684 0.134 22 0 "[ . 1 . 2 ]" 1
147 1 82 LEU H 1 82 LEU HG 4.560 . 4.560 4.605 4.226 4.675 0.115 22 0 "[ . 1 . 2 ]" 1
148 1 82 LEU H 1 82 LEU HB3 2.430 . 2.430 2.473 2.359 2.735 0.305 18 0 "[ . 1 . 2 ]" 1
149 1 20 LYS H 1 20 LYS HG2 4.960 . 4.960 4.461 4.416 4.502 . 0 0 "[ . 1 . 2 ]" 1
150 1 108 GLU H 1 108 GLU HB3 4.200 . 4.200 2.181 1.972 2.403 . 0 0 "[ . 1 . 2 ]" 1
151 1 108 GLU H 1 108 GLU HG2 4.530 . 4.530 3.273 2.103 4.374 . 0 0 "[ . 1 . 2 ]" 1
152 1 94 HIS H 1 94 HIS HD1 5.150 . 5.150 4.391 2.469 5.154 0.004 19 0 "[ . 1 . 2 ]" 1
153 1 107 GLU H 1 107 GLU HG2 4.430 . 4.430 4.388 4.303 4.480 0.050 2 0 "[ . 1 . 2 ]" 1
154 1 106 ILE H 1 106 ILE HG12 5.260 . 5.260 3.112 2.104 4.396 . 0 0 "[ . 1 . 2 ]" 1
155 1 106 ILE H 1 106 ILE HG13 4.910 . 4.910 3.152 2.001 4.719 . 0 0 "[ . 1 . 2 ]" 1
156 1 106 ILE H 1 106 ILE HB 4.120 . 4.120 3.265 2.596 3.820 . 0 0 "[ . 1 . 2 ]" 1
157 1 5 PHE H 1 5 PHE HD2 5.280 . 5.280 3.682 2.881 4.003 . 0 0 "[ . 1 . 2 ]" 1
158 1 32 TRP HA 1 32 TRP HE1 6.500 . 6.500 6.028 5.481 6.233 . 0 0 "[ . 1 . 2 ]" 1
159 1 32 TRP H 1 32 TRP HE1 5.460 . 5.460 3.892 3.807 4.060 . 0 0 "[ . 1 . 2 ]" 1
160 1 32 TRP HB3 1 32 TRP HE1 5.330 . 5.330 4.920 4.797 5.238 . 0 0 "[ . 1 . 2 ]" 1
161 1 26 LYS H 1 26 LYS HE2 5.500 . 5.500 4.856 1.979 5.314 . 0 0 "[ . 1 . 2 ]" 1
162 1 26 LYS H 1 26 LYS HD3 4.740 . 4.740 4.241 3.362 4.826 0.086 13 0 "[ . 1 . 2 ]" 1
163 1 26 LYS H 1 26 LYS HG2 4.860 . 4.860 3.746 1.981 4.463 . 0 0 "[ . 1 . 2 ]" 1
164 1 30 LYS H 1 30 LYS HG2 4.260 . 4.260 3.920 2.493 4.505 0.245 7 0 "[ . 1 . 2 ]" 1
165 1 30 LYS H 1 30 LYS HD3 4.890 . 4.890 2.935 2.103 3.682 . 0 0 "[ . 1 . 2 ]" 1
166 1 30 LYS H 1 30 LYS HB2 4.070 . 4.070 2.909 2.254 3.927 . 0 0 "[ . 1 . 2 ]" 1
167 1 14 GLN HB3 1 17 TRP HD1 4.490 . 4.490 2.233 1.937 2.937 . 0 0 "[ . 1 . 2 ]" 1
168 1 81 LYS HG3 1 99 ASN HB3 4.460 . 4.460 3.300 2.538 3.912 . 0 0 "[ . 1 . 2 ]" 1
169 1 81 LYS HB2 1 99 ASN HB2 4.340 . 4.340 3.250 2.730 3.704 . 0 0 "[ . 1 . 2 ]" 1
170 1 81 LYS HG3 1 99 ASN HD21 4.260 . 4.260 2.937 2.010 3.584 . 0 0 "[ . 1 . 2 ]" 1
171 1 10 LEU HG 1 96 TYR HE2 4.250 . 4.250 4.030 2.620 4.515 0.265 14 0 "[ . 1 . 2 ]" 1
172 1 81 LYS HB2 1 99 ASN HB3 4.200 . 4.200 1.977 1.927 2.019 . 0 0 "[ . 1 . 2 ]" 1
173 1 10 LEU HG 1 82 LEU HG 4.040 . 4.040 4.132 3.800 4.330 0.290 21 0 "[ . 1 . 2 ]" 1
174 1 73 LYS HG3 1 108 GLU HB2 3.740 . 3.740 3.025 2.473 3.530 . 0 0 "[ . 1 . 2 ]" 1
175 1 73 LYS HE3 1 108 GLU HB2 3.630 . 3.630 3.253 2.591 3.650 0.020 19 0 "[ . 1 . 2 ]" 1
176 1 73 LYS HD2 1 108 GLU HB2 3.210 . 3.210 3.319 3.067 3.431 0.221 2 0 "[ . 1 . 2 ]" 1
177 1 4 ILE HG12 1 20 LYS HB2 3.200 . 3.200 3.228 2.077 3.500 0.300 11 0 "[ . 1 . 2 ]" 1
178 1 20 LYS HG2 1 76 TYR H . . 5.020 5.029 4.870 5.064 0.044 19 0 "[ . 1 . 2 ]" 1
179 1 30 LYS HD2 1 40 LYS HG3 5.550 . 5.550 5.661 5.226 5.833 0.283 2 0 "[ . 1 . 2 ]" 1
180 1 70 GLN HA 1 108 GLU HB2 . . 5.030 5.151 4.950 5.241 0.211 2 0 "[ . 1 . 2 ]" 1
181 1 29 ILE HG12 1 66 ASN HB2 5.050 . 5.050 5.309 5.169 5.514 0.464 13 0 "[ . 1 . 2 ]" 1
182 1 29 ILE HG12 1 40 LYS HD2 . . 4.640 4.697 4.584 4.823 0.183 5 0 "[ . 1 . 2 ]" 1
183 1 70 GLN HB2 1 108 GLU HB2 4.300 . 4.300 2.795 2.547 3.284 . 0 0 "[ . 1 . 2 ]" 1
184 1 60 ASP HA 1 63 THR HB 3.080 . 3.080 2.673 2.155 3.163 0.083 5 0 "[ . 1 . 2 ]" 1
185 1 12 PRO HA 1 82 LEU HB3 3.950 . 3.950 2.210 1.966 3.033 . 0 0 "[ . 1 . 2 ]" 1
186 1 24 SER HB3 1 47 LEU HB2 4.420 . 4.420 3.258 2.162 4.170 . 0 0 "[ . 1 . 2 ]" 1
187 1 61 PHE HB2 1 64 LYS H 6.000 . 6.000 5.698 5.481 5.829 . 0 0 "[ . 1 . 2 ]" 1
188 1 85 ALA HA 1 97 GLU HB2 4.640 . 4.640 4.627 3.746 4.746 0.106 18 0 "[ . 1 . 2 ]" 1
189 1 24 SER HA 1 47 LEU HB2 4.680 . 4.680 4.405 3.747 4.757 0.077 21 0 "[ . 1 . 2 ]" 1
190 1 27 GLY HA2 1 44 VAL HA 4.680 . 4.680 4.619 4.097 4.789 0.109 22 0 "[ . 1 . 2 ]" 1
191 1 46 PHE HB3 1 53 ILE HG12 4.710 . 4.710 4.574 3.978 4.744 0.034 16 0 "[ . 1 . 2 ]" 1
192 1 22 ARG HA 1 74 VAL HA 4.840 . 4.840 1.945 1.882 2.064 . 0 0 "[ . 1 . 2 ]" 1
193 1 29 ILE HA 1 41 LEU HA 4.870 . 4.870 5.178 4.997 5.345 0.475 17 0 "[ . 1 . 2 ]" 1
194 1 63 THR HA 1 66 ASN HB3 5.000 . 5.000 3.450 2.725 3.725 . 0 0 "[ . 1 . 2 ]" 1
195 1 31 THR HA 1 40 LYS HA 5.010 . 5.010 1.951 1.877 2.102 . 0 0 "[ . 1 . 2 ]" 1
196 1 70 GLN HB2 1 108 GLU HA 5.020 . 5.020 4.998 4.708 5.174 0.154 6 0 "[ . 1 . 2 ]" 1
197 1 11 SER HB3 1 82 LEU HB3 5.050 . 5.050 5.110 4.884 5.178 0.128 16 0 "[ . 1 . 2 ]" 1
198 1 11 SER HB3 1 14 GLN HG3 5.080 . 5.080 5.033 4.400 5.133 0.053 19 0 "[ . 1 . 2 ]" 1
199 1 44 VAL H 1 56 THR HA 5.100 . 5.100 3.126 2.584 3.674 . 0 0 "[ . 1 . 2 ]" 1
200 1 11 SER HB2 1 14 GLN HG3 5.140 . 5.140 5.156 4.944 5.204 0.064 3 0 "[ . 1 . 2 ]" 1
201 1 43 ASN HA 1 56 THR HA 5.150 . 5.150 1.969 1.894 2.135 . 0 0 "[ . 1 . 2 ]" 1
202 1 84 PRO HA 1 97 GLU HG3 5.180 . 5.180 4.582 3.810 5.245 0.065 2 0 "[ . 1 . 2 ]" 1
203 1 70 GLN HA 1 73 LYS HD3 5.290 . 5.290 5.187 4.837 5.423 0.133 6 0 "[ . 1 . 2 ]" 1
204 1 47 LEU HA 1 52 GLU HA 5.340 . 5.340 2.549 2.237 2.823 . 0 0 "[ . 1 . 2 ]" 1
205 1 63 THR HA 1 66 ASN HB2 5.390 . 5.390 3.663 3.219 3.893 . 0 0 "[ . 1 . 2 ]" 1
206 1 40 LYS HB3 1 59 ASN HA 5.460 . 5.460 1.955 1.914 2.098 . 0 0 "[ . 1 . 2 ]" 1
207 1 20 LYS HB3 1 76 TYR HB2 5.490 . 5.490 4.529 3.865 5.069 . 0 0 "[ . 1 . 2 ]" 1
208 1 11 SER HB2 1 82 LEU HB3 5.690 . 5.690 5.620 5.144 5.817 0.127 18 0 "[ . 1 . 2 ]" 1
209 1 32 TRP HD1 1 41 LEU HB3 5.760 . 5.760 3.701 2.527 5.787 0.027 6 0 "[ . 1 . 2 ]" 1
210 1 11 SER HB2 1 14 GLN HB3 5.780 . 5.780 3.424 2.881 4.437 . 0 0 "[ . 1 . 2 ]" 1
211 1 11 SER HB2 1 17 TRP HD1 5.830 . 5.830 4.867 3.805 5.823 . 0 0 "[ . 1 . 2 ]" 1
212 1 4 ILE HG13 1 20 LYS HB3 6.000 . 6.000 5.733 2.890 6.071 0.071 21 0 "[ . 1 . 2 ]" 1
213 1 32 TRP HD1 1 39 GLY H 5.310 . 5.310 3.826 2.107 4.881 . 0 0 "[ . 1 . 2 ]" 1
214 1 31 THR HA 1 39 GLY H 5.460 . 5.460 4.593 4.230 5.502 0.042 8 0 "[ . 1 . 2 ]" 1
215 1 32 TRP HB2 1 39 GLY H 4.860 . 4.860 4.628 3.451 5.095 0.235 4 0 "[ . 1 . 2 ]" 1
216 1 32 TRP H 1 39 GLY H 4.990 . 4.990 3.020 2.578 4.094 . 0 0 "[ . 1 . 2 ]" 1
217 1 45 ASN HD21 1 54 ARG HG3 6.000 . 6.000 4.889 4.000 6.037 0.037 5 0 "[ . 1 . 2 ]" 1
218 1 81 LYS HB2 1 99 ASN HD22 6.000 . 6.000 4.872 3.552 5.345 . 0 0 "[ . 1 . 2 ]" 1
219 1 81 LYS HB2 1 99 ASN HD21 5.600 . 5.600 3.341 1.995 3.908 . 0 0 "[ . 1 . 2 ]" 1
220 1 81 LYS HG3 1 99 ASN HD22 6.000 . 6.000 4.378 2.800 4.919 . 0 0 "[ . 1 . 2 ]" 1
221 1 25 TYR HB2 1 45 ASN HD21 5.060 . 5.060 3.740 3.331 4.552 . 0 0 "[ . 1 . 2 ]" 1
222 1 60 ASP HA 1 63 THR H 5.730 . 5.730 3.025 2.921 3.111 . 0 0 "[ . 1 . 2 ]" 1
223 1 60 ASP HB3 1 63 THR H 6.000 . 6.000 4.885 4.640 5.245 . 0 0 "[ . 1 . 2 ]" 1
224 1 7 ILE HB 1 51 GLY H 5.670 . 5.670 4.419 3.653 5.734 0.064 15 0 "[ . 1 . 2 ]" 1
225 1 48 ASP HA 1 51 GLY H 6.000 . 6.000 4.592 4.473 5.039 . 0 0 "[ . 1 . 2 ]" 1
226 1 7 ILE HG13 1 51 GLY H 6.000 . 6.000 3.986 2.860 5.164 . 0 0 "[ . 1 . 2 ]" 1
227 1 8 GLU HG3 1 51 GLY H 6.000 . 6.000 5.714 4.903 6.123 0.123 6 0 "[ . 1 . 2 ]" 1
228 1 8 GLU H 1 51 GLY H 6.000 . 6.000 5.969 5.522 6.072 0.072 9 0 "[ . 1 . 2 ]" 1
229 1 23 VAL HB 1 72 GLY H 6.000 . 6.000 3.900 3.172 4.553 . 0 0 "[ . 1 . 2 ]" 1
230 1 62 ALA HA 1 65 PHE H 5.770 . 5.770 3.183 3.038 3.316 . 0 0 "[ . 1 . 2 ]" 1
231 1 44 VAL H 1 54 ARG HD3 6.000 . 6.000 4.738 4.236 5.739 . 0 0 "[ . 1 . 2 ]" 1
232 1 64 LYS HA 1 67 GLU H 6.000 . 6.000 3.935 3.791 4.129 . 0 0 "[ . 1 . 2 ]" 1
233 1 44 VAL H 1 55 ALA H 6.000 . 6.000 3.349 2.750 3.930 . 0 0 "[ . 1 . 2 ]" 1
234 1 63 THR HA 1 67 GLU H 4.230 . 4.230 3.856 3.539 3.990 . 0 0 "[ . 1 . 2 ]" 1
235 1 56 THR H 1 98 LEU HG 4.870 . 4.870 4.916 4.483 5.130 0.260 6 0 "[ . 1 . 2 ]" 1
236 1 44 VAL H 1 54 ARG HD2 5.710 . 5.710 5.437 4.568 5.788 0.078 5 0 "[ . 1 . 2 ]" 1
237 1 65 PHE HA 1 68 ILE H 5.190 . 5.190 3.734 3.569 3.868 . 0 0 "[ . 1 . 2 ]" 1
238 1 43 ASN HA 1 56 THR H 6.000 . 6.000 4.743 4.592 4.868 . 0 0 "[ . 1 . 2 ]" 1
239 1 79 LYS H 1 105 VAL H 6.000 . 6.000 4.918 4.637 5.371 . 0 0 "[ . 1 . 2 ]" 1
240 1 11 SER H 1 14 GLN HB3 5.690 . 5.690 3.468 2.962 4.373 . 0 0 "[ . 1 . 2 ]" 1
241 1 17 TRP HZ2 1 79 LYS H 6.000 . 6.000 6.043 5.759 6.132 0.132 8 0 "[ . 1 . 2 ]" 1
242 1 6 ALA H 1 9 GLN H 6.000 . 6.000 4.121 3.800 4.675 . 0 0 "[ . 1 . 2 ]" 1
243 1 11 SER H 1 17 TRP HD1 5.650 . 5.650 3.884 3.021 4.510 . 0 0 "[ . 1 . 2 ]" 1
244 1 29 ILE HG12 1 66 ASN QD 5.350 . 5.350 4.486 4.013 4.930 . 0 0 "[ . 1 . 2 ]" 1
245 1 13 TYR H 1 82 LEU HB3 5.290 . 5.290 5.108 4.772 5.349 0.059 12 0 "[ . 1 . 2 ]" 1
246 1 85 ALA H 1 97 GLU H 5.810 . 5.810 3.806 2.977 4.532 . 0 0 "[ . 1 . 2 ]" 1
247 1 84 PRO HA 1 97 GLU H 6.000 . 6.000 3.342 2.593 3.788 . 0 0 "[ . 1 . 2 ]" 1
248 1 83 GLN HG3 1 97 GLU H 6.000 . 6.000 4.511 3.269 5.551 . 0 0 "[ . 1 . 2 ]" 1
249 1 85 ALA HA 1 97 GLU H 6.000 . 6.000 5.167 4.706 5.675 . 0 0 "[ . 1 . 2 ]" 1
250 1 82 LEU HA 1 97 GLU H 5.990 . 5.990 5.205 4.560 5.968 . 0 0 "[ . 1 . 2 ]" 1
251 1 83 GLN HB2 1 97 GLU H 5.830 . 5.830 3.979 3.199 5.280 . 0 0 "[ . 1 . 2 ]" 1
252 1 27 GLY H 1 45 ASN H 6.000 . 6.000 3.967 3.574 4.503 . 0 0 "[ . 1 . 2 ]" 1
253 1 100 LEU HG 1 104 THR H 6.000 . 6.000 5.222 4.323 6.232 0.232 8 0 "[ . 1 . 2 ]" 1
254 1 27 GLY H 1 43 ASN HB3 6.000 . 6.000 5.095 4.054 6.102 0.102 6 0 "[ . 1 . 2 ]" 1
255 1 27 GLY H 1 44 VAL HB 6.000 . 6.000 4.529 3.228 5.070 . 0 0 "[ . 1 . 2 ]" 1
256 1 27 GLY H 1 44 VAL HA 5.570 . 5.570 2.297 1.979 2.719 . 0 0 "[ . 1 . 2 ]" 1
257 1 27 GLY H 1 42 PHE HZ 6.000 . 6.000 5.414 4.003 6.094 0.094 6 0 "[ . 1 . 2 ]" 1
258 1 27 GLY H 1 42 PHE QD 6.000 . 6.000 4.760 3.511 5.828 . 0 0 "[ . 1 . 2 ]" 1
259 1 61 PHE H 1 64 LYS HD2 6.000 . 6.000 6.165 6.067 6.243 0.243 11 0 "[ . 1 . 2 ]" 1
260 1 58 PHE H 1 61 PHE H 6.000 . 6.000 5.420 5.174 5.907 . 0 0 "[ . 1 . 2 ]" 1
261 1 56 THR H 1 98 LEU H 6.000 . 6.000 3.243 2.510 4.413 . 0 0 "[ . 1 . 2 ]" 1
262 1 55 ALA HA 1 98 LEU H 6.000 . 6.000 2.954 1.977 3.770 . 0 0 "[ . 1 . 2 ]" 1
263 1 58 PHE HB2 1 61 PHE H 4.600 . 4.600 4.717 4.528 4.787 0.187 13 0 "[ . 1 . 2 ]" 1
264 1 5 PHE H 1 18 THR H 6.000 . 6.000 4.236 3.455 5.216 . 0 0 "[ . 1 . 2 ]" 1
265 1 25 TYR QE 1 28 GLU H 6.000 . 6.000 5.455 4.796 5.961 . 0 0 "[ . 1 . 2 ]" 1
266 1 5 PHE HD2 1 18 THR H 4.680 . 4.680 3.811 2.926 4.756 0.076 6 0 "[ . 1 . 2 ]" 1
267 1 5 PHE HB2 1 18 THR H 5.790 . 5.790 4.647 3.610 5.481 . 0 0 "[ . 1 . 2 ]" 1
268 1 65 PHE QD 1 69 LEU H 5.340 . 5.340 4.969 4.830 5.100 . 0 0 "[ . 1 . 2 ]" 1
269 1 65 PHE QE 1 69 LEU H 6.000 . 6.000 5.265 5.073 5.416 . 0 0 "[ . 1 . 2 ]" 1
270 1 66 ASN HA 1 69 LEU H 6.000 . 6.000 3.112 2.903 3.567 . 0 0 "[ . 1 . 2 ]" 1
271 1 65 PHE HA 1 69 LEU H 6.000 . 6.000 4.485 4.104 5.071 . 0 0 "[ . 1 . 2 ]" 1
272 1 32 TRP HD1 1 40 LYS H 6.000 . 6.000 4.457 3.807 5.510 . 0 0 "[ . 1 . 2 ]" 1
273 1 40 LYS H 1 59 ASN H 5.760 . 5.760 3.823 2.635 4.395 . 0 0 "[ . 1 . 2 ]" 1
274 1 78 SER H 1 106 ILE HA 6.000 . 6.000 3.661 3.171 4.148 . 0 0 "[ . 1 . 2 ]" 1
275 1 40 LYS H 1 59 ASN HA 3.820 . 3.820 2.921 1.984 3.943 0.123 5 0 "[ . 1 . 2 ]" 1
276 1 78 SER H 1 105 VAL HB 5.150 . 5.150 3.353 2.208 4.029 . 0 0 "[ . 1 . 2 ]" 1
277 1 40 LYS H 1 59 ASN HB2 3.670 . 3.670 2.522 2.149 3.658 . 0 0 "[ . 1 . 2 ]" 1
278 1 46 PHE H 1 54 ARG HA 6.000 . 6.000 2.201 2.088 2.377 . 0 0 "[ . 1 . 2 ]" 1
279 1 46 PHE H 1 53 ILE MG 4.970 . 4.970 3.233 3.163 3.309 . 0 0 "[ . 1 . 2 ]" 1
280 1 17 TRP HZ2 1 80 ALA H 5.330 . 5.330 3.929 3.509 4.243 . 0 0 "[ . 1 . 2 ]" 1
281 1 17 TRP HH2 1 80 ALA H 5.360 . 5.360 4.538 3.546 5.301 . 0 0 "[ . 1 . 2 ]" 1
282 1 76 TYR H 1 107 GLU H . . 4.900 3.019 2.557 3.513 . 0 0 "[ . 1 . 2 ]" 1
283 1 76 TYR H 1 108 GLU HA 6.000 . 6.000 3.896 3.753 4.214 . 0 0 "[ . 1 . 2 ]" 1
284 1 76 TYR H 1 109 CYS H 6.000 . 6.000 4.905 4.211 5.642 . 0 0 "[ . 1 . 2 ]" 1
285 1 20 LYS HB2 1 76 TYR H 5.870 . 5.870 5.853 5.505 6.034 0.164 6 0 "[ . 1 . 2 ]" 1
286 1 19 ILE H 1 76 TYR QD 6.000 . 6.000 3.304 1.953 5.230 . 0 0 "[ . 1 . 2 ]" 1
287 1 76 TYR H 1 107 GLU HB2 6.000 . 6.000 5.411 4.169 5.902 . 0 0 "[ . 1 . 2 ]" 1
288 1 14 GLN H 1 82 LEU HB3 5.360 . 5.360 5.027 4.543 5.418 0.058 19 0 "[ . 1 . 2 ]" 1
289 1 63 THR HA 1 66 ASN H 5.790 . 5.790 3.702 3.540 3.769 . 0 0 "[ . 1 . 2 ]" 1
290 1 19 ILE H 1 76 TYR HA 6.000 . 6.000 4.590 4.243 5.889 . 0 0 "[ . 1 . 2 ]" 1
291 1 11 SER HB2 1 14 GLN H 6.000 . 6.000 3.701 3.491 4.085 . 0 0 "[ . 1 . 2 ]" 1
292 1 11 SER H 1 14 GLN H 6.000 . 6.000 4.557 4.124 5.082 . 0 0 "[ . 1 . 2 ]" 1
293 1 58 PHE H 1 61 PHE HB2 6.000 . 6.000 3.450 3.162 4.016 . 0 0 "[ . 1 . 2 ]" 1
294 1 14 GLN H 1 17 TRP HD1 6.000 . 6.000 4.627 4.087 5.238 . 0 0 "[ . 1 . 2 ]" 1
295 1 62 ALA HA 1 66 ASN H 5.350 . 5.350 3.402 3.219 3.634 . 0 0 "[ . 1 . 2 ]" 1
296 1 58 PHE H 1 62 ALA HA 5.990 . 5.990 4.561 4.111 4.955 . 0 0 "[ . 1 . 2 ]" 1
297 1 19 ILE H 1 77 VAL H 5.960 . 5.960 2.931 2.487 3.933 . 0 0 "[ . 1 . 2 ]" 1
298 1 7 ILE HG13 1 50 SER H 5.990 . 5.990 4.903 4.029 6.057 0.067 21 0 "[ . 1 . 2 ]" 1
299 1 7 ILE HA 1 10 LEU H 6.000 . 6.000 3.919 3.492 4.864 . 0 0 "[ . 1 . 2 ]" 1
300 1 64 LYS H 1 67 GLU HB3 6.000 . 6.000 5.533 5.276 5.740 . 0 0 "[ . 1 . 2 ]" 1
301 1 47 LEU HA 1 52 GLU H 6.000 . 6.000 5.481 5.151 5.765 . 0 0 "[ . 1 . 2 ]" 1
302 1 5 PHE HB3 1 10 LEU H 6.000 . 6.000 4.658 2.563 5.326 . 0 0 "[ . 1 . 2 ]" 1
303 1 8 GLU H 1 50 SER HB3 6.000 . 6.000 3.914 2.686 5.051 . 0 0 "[ . 1 . 2 ]" 1
304 1 81 LYS H 1 99 ASN H 6.000 . 6.000 3.478 2.644 3.978 . 0 0 "[ . 1 . 2 ]" 1
305 1 81 LYS H 1 99 ASN HB3 5.750 . 5.750 3.509 3.078 4.060 . 0 0 "[ . 1 . 2 ]" 1
306 1 25 TYR QD 1 45 ASN H 5.450 . 5.450 3.847 3.702 3.977 . 0 0 "[ . 1 . 2 ]" 1
307 1 45 ASN H 1 54 ARG HG2 5.040 . 5.040 5.055 4.817 5.098 0.058 3 0 "[ . 1 . 2 ]" 1
308 1 25 TYR HB2 1 45 ASN H 6.000 . 6.000 5.126 4.723 5.637 . 0 0 "[ . 1 . 2 ]" 1
309 1 17 TRP H 1 79 LYS HD3 6.000 . 6.000 5.742 4.119 6.090 0.090 6 0 "[ . 1 . 2 ]" 1
310 1 25 TYR HB3 1 45 ASN H 6.000 . 6.000 3.597 3.140 4.110 . 0 0 "[ . 1 . 2 ]" 1
311 1 14 GLN HG2 1 17 TRP H 6.000 . 6.000 5.121 4.454 6.035 0.035 12 0 "[ . 1 . 2 ]" 1
312 1 26 LYS HA 1 45 ASN H 6.000 . 6.000 3.395 2.708 4.001 . 0 0 "[ . 1 . 2 ]" 1
313 1 25 TYR QE 1 45 ASN H 6.000 . 6.000 5.929 5.757 6.079 0.079 3 0 "[ . 1 . 2 ]" 1
314 1 17 TRP H 1 79 LYS HG2 6.000 . 6.000 4.029 3.577 4.917 . 0 0 "[ . 1 . 2 ]" 1
315 1 70 GLN H 1 73 LYS HD2 5.750 . 5.750 2.441 2.025 3.003 . 0 0 "[ . 1 . 2 ]" 1
316 1 70 GLN H 1 73 LYS HG3 5.870 . 5.870 4.044 3.641 4.730 . 0 0 "[ . 1 . 2 ]" 1
317 1 83 GLN H 1 97 GLU HG3 6.000 . 6.000 5.640 5.140 6.012 0.012 10 0 "[ . 1 . 2 ]" 1
318 1 83 GLN H 1 96 TYR HD1 6.000 . 6.000 4.957 3.168 6.142 0.142 11 0 "[ . 1 . 2 ]" 1
319 1 83 GLN H 1 98 LEU HA 5.870 . 5.870 3.446 2.898 3.889 . 0 0 "[ . 1 . 2 ]" 1
320 1 83 GLN H 1 96 TYR HB3 6.000 . 6.000 5.534 4.581 6.323 0.323 18 0 "[ . 1 . 2 ]" 1
321 1 10 LEU HB3 1 83 GLN H 6.000 . 6.000 5.765 5.376 6.111 0.111 16 0 "[ . 1 . 2 ]" 1
322 1 83 GLN H 1 99 ASN H 6.000 . 6.000 4.801 4.188 5.277 . 0 0 "[ . 1 . 2 ]" 1
323 1 70 GLN HB3 1 73 LYS H 5.560 . 5.560 4.327 3.416 4.825 . 0 0 "[ . 1 . 2 ]" 1
324 1 23 VAL HB 1 73 LYS H 5.940 . 5.940 3.743 3.356 4.158 . 0 0 "[ . 1 . 2 ]" 1
325 1 86 LYS H 1 97 GLU HG3 5.880 . 5.880 5.265 4.552 5.916 0.036 5 0 "[ . 1 . 2 ]" 1
326 1 31 THR HB 1 41 LEU H 6.000 . 6.000 5.130 3.949 5.410 . 0 0 "[ . 1 . 2 ]" 1
327 1 29 ILE HA 1 41 LEU H 6.000 . 6.000 4.344 4.107 4.546 . 0 0 "[ . 1 . 2 ]" 1
328 1 32 TRP HD1 1 41 LEU H 6.000 . 6.000 3.919 3.156 5.425 . 0 0 "[ . 1 . 2 ]" 1
329 1 32 TRP H 1 41 LEU H 5.560 . 5.560 4.680 4.247 4.953 . 0 0 "[ . 1 . 2 ]" 1
330 1 31 THR HA 1 41 LEU H 2.980 . 2.980 2.891 2.603 3.059 0.079 4 0 "[ . 1 . 2 ]" 1
331 1 85 ALA H 1 96 TYR H 6.000 . 6.000 4.601 4.059 4.869 . 0 0 "[ . 1 . 2 ]" 1
332 1 84 PRO HA 1 96 TYR H 6.000 . 6.000 5.598 4.711 5.971 . 0 0 "[ . 1 . 2 ]" 1
333 1 42 PHE H 1 56 THR HA 6.000 . 6.000 4.910 4.422 5.451 . 0 0 "[ . 1 . 2 ]" 1
334 1 42 PHE H 1 58 PHE HA 4.810 . 4.810 3.740 3.093 4.170 . 0 0 "[ . 1 . 2 ]" 1
335 1 42 PHE H 1 58 PHE HD1 5.060 . 5.060 4.909 4.403 5.128 0.068 9 0 "[ . 1 . 2 ]" 1
336 1 25 TYR H 1 45 ASN HB2 6.000 . 6.000 2.895 2.098 3.882 . 0 0 "[ . 1 . 2 ]" 1
337 1 25 TYR H 1 45 ASN H 5.910 . 5.910 3.280 2.918 3.921 . 0 0 "[ . 1 . 2 ]" 1
338 1 22 ARG H 1 47 LEU H 6.000 . 6.000 3.224 2.567 4.007 . 0 0 "[ . 1 . 2 ]" 1
339 1 25 TYR H 1 47 LEU HB2 6.000 . 6.000 5.605 4.699 6.070 0.070 11 0 "[ . 1 . 2 ]" 1
340 1 32 TRP H 1 40 LYS HA 5.320 . 5.320 3.586 3.258 3.923 . 0 0 "[ . 1 . 2 ]" 1
341 1 25 TYR H 1 45 ASN HB3 5.970 . 5.970 3.146 1.952 4.138 . 0 0 "[ . 1 . 2 ]" 1
342 1 32 TRP H 1 41 LEU HB2 4.260 . 4.260 4.279 3.797 4.577 0.317 5 0 "[ . 1 . 2 ]" 1
343 1 22 ARG HA 1 75 TYR H 6.000 . 6.000 3.194 2.970 3.398 . 0 0 "[ . 1 . 2 ]" 1
344 1 23 VAL HB 1 71 GLU H 5.620 . 5.620 5.786 5.653 5.965 0.345 15 0 "[ . 1 . 2 ]" 1
345 1 19 ILE HG12 1 77 VAL H 5.130 . 5.130 4.673 3.007 5.318 0.188 11 0 "[ . 1 . 2 ]" 1
346 1 17 TRP HZ3 1 77 VAL H 6.000 . 6.000 4.675 3.594 5.966 . 0 0 "[ . 1 . 2 ]" 1
347 1 47 LEU H 1 53 ILE MG 6.000 . 6.000 4.116 3.762 4.258 . 0 0 "[ . 1 . 2 ]" 1
348 1 46 PHE H 1 53 ILE H 6.000 . 6.000 3.832 3.697 4.169 . 0 0 "[ . 1 . 2 ]" 1
349 1 46 PHE HB2 1 53 ILE H 6.000 . 6.000 4.055 3.866 4.498 . 0 0 "[ . 1 . 2 ]" 1
350 1 57 ALA HA 1 100 LEU H 6.000 . 6.000 2.353 1.978 3.005 . 0 0 "[ . 1 . 2 ]" 1
351 1 47 LEU HA 1 53 ILE H 3.130 . 3.130 2.944 2.827 3.115 . 0 0 "[ . 1 . 2 ]" 1
352 1 58 PHE HD1 1 100 LEU H 5.840 . 5.840 3.865 3.083 4.282 . 0 0 "[ . 1 . 2 ]" 1
353 1 58 PHE H 1 62 ALA H 6.000 . 6.000 4.105 3.755 4.500 . 0 0 "[ . 1 . 2 ]" 1
354 1 75 TYR HD1 1 109 CYS H 5.300 . 5.300 5.203 4.838 5.375 0.075 16 0 "[ . 1 . 2 ]" 1
355 1 6 ALA H 1 9 GLN HG2 6.000 . 6.000 3.799 2.837 4.916 . 0 0 "[ . 1 . 2 ]" 1
356 1 6 ALA H 1 9 GLN HB3 5.230 . 5.230 3.909 3.068 4.451 . 0 0 "[ . 1 . 2 ]" 1
357 1 23 VAL H 1 73 LYS H 6.000 . 6.000 3.339 3.111 3.717 . 0 0 "[ . 1 . 2 ]" 1
358 1 58 PHE HA 1 62 ALA H 6.000 . 6.000 5.163 4.993 5.323 . 0 0 "[ . 1 . 2 ]" 1
359 1 62 ALA H 1 65 PHE H 6.000 . 6.000 4.631 4.575 4.750 . 0 0 "[ . 1 . 2 ]" 1
360 1 58 PHE HB2 1 62 ALA H 5.790 . 5.790 4.507 4.238 4.666 . 0 0 "[ . 1 . 2 ]" 1
361 1 6 ALA H 1 9 GLN HA 6.000 . 6.000 5.525 4.895 6.034 0.034 6 0 "[ . 1 . 2 ]" 1
362 1 23 VAL H 1 74 VAL HA 5.080 . 5.080 3.746 3.095 4.030 . 0 0 "[ . 1 . 2 ]" 1
363 1 23 VAL H 1 71 GLU HA 6.000 . 6.000 4.827 4.111 6.062 0.062 18 0 "[ . 1 . 2 ]" 1
364 1 82 LEU H 1 98 LEU HA 6.000 . 6.000 5.436 5.111 5.752 . 0 0 "[ . 1 . 2 ]" 1
365 1 82 LEU H 1 99 ASN H 6.000 . 6.000 5.224 4.975 5.384 . 0 0 "[ . 1 . 2 ]" 1
366 1 4 ILE HG12 1 20 LYS H 5.140 . 5.140 3.826 2.325 4.648 . 0 0 "[ . 1 . 2 ]" 1
367 1 85 ALA H 1 96 TYR HD1 5.450 . 5.450 3.417 2.596 4.007 . 0 0 "[ . 1 . 2 ]" 1
368 1 85 ALA H 1 97 GLU HG2 5.160 . 5.160 4.800 3.348 5.203 0.043 10 0 "[ . 1 . 2 ]" 1
369 1 85 ALA H 1 95 PRO HA 6.000 . 6.000 5.065 3.112 5.497 . 0 0 "[ . 1 . 2 ]" 1
370 1 85 ALA H 1 96 TYR HA 5.500 . 5.500 2.565 2.013 3.350 . 0 0 "[ . 1 . 2 ]" 1
371 1 85 ALA H 1 96 TYR HB3 6.000 . 6.000 5.418 4.912 6.016 0.016 19 0 "[ . 1 . 2 ]" 1
372 1 85 ALA H 1 95 PRO HB2 5.840 . 5.840 4.027 2.447 4.899 . 0 0 "[ . 1 . 2 ]" 1
373 1 43 ASN HA 1 57 ALA H 3.130 . 3.130 3.222 2.907 3.421 0.291 5 0 "[ . 1 . 2 ]" 1
374 1 85 ALA H 1 96 TYR HE1 6.000 . 6.000 4.801 4.192 5.840 . 0 0 "[ . 1 . 2 ]" 1
375 1 42 PHE H 1 57 ALA H 5.850 . 5.850 3.169 2.747 3.748 . 0 0 "[ . 1 . 2 ]" 1
376 1 57 ALA H 1 62 ALA HA 6.000 . 6.000 5.602 4.997 6.030 0.030 19 0 "[ . 1 . 2 ]" 1
377 1 42 PHE QD 1 57 ALA H 6.000 . 6.000 2.165 1.792 2.784 . 0 0 "[ . 1 . 2 ]" 1
378 1 42 PHE HB3 1 57 ALA H 5.900 . 5.900 4.017 2.988 4.910 . 0 0 "[ . 1 . 2 ]" 1
379 1 42 PHE QE 1 57 ALA H 3.260 . 3.260 3.410 3.161 3.664 0.404 4 0 "[ . 1 . 2 ]" 1
380 1 24 SER H 1 46 PHE HD1 5.420 . 5.420 4.170 3.510 5.441 0.021 4 0 "[ . 1 . 2 ]" 1
381 1 24 SER H 1 45 ASN HB2 5.700 . 5.700 4.429 3.747 5.308 . 0 0 "[ . 1 . 2 ]" 1
382 1 24 SER H 1 46 PHE HA 5.960 . 5.960 2.597 1.999 2.991 . 0 0 "[ . 1 . 2 ]" 1
383 1 24 SER H 1 47 LEU H 6.000 . 6.000 3.807 2.803 4.299 . 0 0 "[ . 1 . 2 ]" 1
384 1 46 PHE H 1 55 ALA H 6.000 . 6.000 3.655 3.107 3.964 . 0 0 "[ . 1 . 2 ]" 1
385 1 45 ASN HA 1 55 ALA H 6.000 . 6.000 3.378 2.762 3.887 . 0 0 "[ . 1 . 2 ]" 1
386 1 75 TYR HD2 1 108 GLU H 5.780 . 5.780 5.123 3.935 5.788 0.008 8 0 "[ . 1 . 2 ]" 1
387 1 44 VAL HB 1 55 ALA H 5.720 . 5.720 4.176 3.332 5.500 . 0 0 "[ . 1 . 2 ]" 1
388 1 21 ALA H 1 75 TYR H 6.000 . 6.000 2.856 2.642 3.484 . 0 0 "[ . 1 . 2 ]" 1
389 1 21 ALA H 1 76 TYR HA 6.000 . 6.000 3.360 2.967 3.763 . 0 0 "[ . 1 . 2 ]" 1
390 1 101 ASP H 1 104 THR H 5.130 . 5.130 4.976 3.254 5.331 0.201 10 0 "[ . 1 . 2 ]" 1
391 1 21 ALA H 1 77 VAL H 5.490 . 5.490 5.015 4.242 5.282 . 0 0 "[ . 1 . 2 ]" 1
392 1 101 ASP H 1 104 THR HB 5.170 . 5.170 3.614 2.917 4.243 . 0 0 "[ . 1 . 2 ]" 1
393 1 75 TYR HD2 1 107 GLU H 5.230 . 5.230 3.007 2.677 3.584 . 0 0 "[ . 1 . 2 ]" 1
394 1 5 PHE H 1 18 THR HB 6.000 . 6.000 4.463 3.677 5.772 . 0 0 "[ . 1 . 2 ]" 1
395 1 79 LYS HG3 1 105 VAL H 5.300 . 5.300 3.645 2.735 4.804 . 0 0 "[ . 1 . 2 ]" 1
396 1 32 TRP HE1 1 41 LEU HB2 6.000 . 6.000 3.192 1.966 4.023 . 0 0 "[ . 1 . 2 ]" 1
397 1 32 TRP HE1 1 39 GLY HA2 5.350 . 5.350 4.272 3.612 5.535 0.185 5 0 "[ . 1 . 2 ]" 1
398 1 32 TRP HE1 1 40 LYS HA 6.000 . 6.000 3.868 3.330 4.651 . 0 0 "[ . 1 . 2 ]" 1
399 1 54 ARG H 1 98 LEU HG 6.000 . 6.000 5.694 3.976 6.145 0.145 18 0 "[ . 1 . 2 ]" 1
400 1 48 ASP H 1 51 GLY HA2 6.000 . 6.000 4.784 4.537 5.040 . 0 0 "[ . 1 . 2 ]" 1
401 1 32 TRP HE1 1 39 GLY H 6.000 . 6.000 4.019 3.283 5.857 . 0 0 "[ . 1 . 2 ]" 1
402 1 48 ASP H 1 52 GLU HG2 6.000 . 6.000 4.471 3.490 5.789 . 0 0 "[ . 1 . 2 ]" 1
403 1 48 ASP H 1 53 ILE MG 4.970 . 4.970 3.423 3.221 3.539 . 0 0 "[ . 1 . 2 ]" 1
404 1 48 ASP H 1 51 GLY H 6.000 . 6.000 3.678 3.417 4.089 . 0 0 "[ . 1 . 2 ]" 1
405 1 48 ASP H 1 52 GLU HA 5.910 . 5.910 2.753 2.492 3.251 . 0 0 "[ . 1 . 2 ]" 1
406 1 26 LYS H 1 44 VAL HA 6.000 . 6.000 5.359 5.181 5.493 . 0 0 "[ . 1 . 2 ]" 1
407 1 30 LYS H 1 41 LEU H 5.730 . 5.730 3.158 2.835 3.475 . 0 0 "[ . 1 . 2 ]" 1
408 1 30 LYS H 1 42 PHE HB2 6.000 . 6.000 4.305 3.747 5.330 . 0 0 "[ . 1 . 2 ]" 1
409 1 30 LYS H 1 42 PHE QD 6.000 . 6.000 5.533 4.890 5.914 . 0 0 "[ . 1 . 2 ]" 1
410 1 30 LYS H 1 42 PHE HB3 6.000 . 6.000 4.877 4.018 6.007 0.007 11 0 "[ . 1 . 2 ]" 1
411 1 30 LYS H 1 42 PHE HA 6.000 . 6.000 3.106 2.627 3.450 . 0 0 "[ . 1 . 2 ]" 1
412 1 30 LYS H 1 40 LYS HG3 5.420 . 5.420 4.239 3.805 4.793 . 0 0 "[ . 1 . 2 ]" 1
413 1 30 LYS H 1 40 LYS HA 6.000 . 6.000 5.091 4.784 5.397 . 0 0 "[ . 1 . 2 ]" 1
414 1 14 GLN HG2 1 17 TRP HE1 6.000 . 6.000 5.114 4.426 5.935 . 0 0 "[ . 1 . 2 ]" 1
415 1 17 TRP HE1 1 82 LEU HB2 5.410 . 5.410 2.175 1.928 3.464 . 0 0 "[ . 1 . 2 ]" 1
416 1 14 GLN HB3 1 17 TRP HE1 5.650 . 5.650 3.829 2.987 4.528 . 0 0 "[ . 1 . 2 ]" 1
417 1 10 LEU HG 1 17 TRP HE1 6.000 . 6.000 6.129 6.053 6.199 0.199 16 0 "[ . 1 . 2 ]" 1
418 1 14 GLN HA 1 17 TRP HE1 6.000 . 6.000 5.963 5.162 6.181 0.181 1 0 "[ . 1 . 2 ]" 1
419 1 17 TRP HE1 1 80 ALA H 6.000 . 6.000 4.388 3.493 5.013 . 0 0 "[ . 1 . 2 ]" 1
420 1 47 LEU MD1 1 52 GLU HB3 . . 4.800 3.840 3.005 4.813 0.013 5 0 "[ . 1 . 2 ]" 1
421 1 62 ALA MB 1 65 PHE QE 6.080 . 6.080 3.770 3.318 4.211 . 0 0 "[ . 1 . 2 ]" 1
422 1 29 ILE HG12 1 62 ALA MB 5.940 . 5.940 3.801 3.019 4.217 . 0 0 "[ . 1 . 2 ]" 1
423 1 18 THR MG 1 76 TYR QE 5.890 . 5.890 2.039 1.825 2.364 . 0 0 "[ . 1 . 2 ]" 1
424 1 82 LEU MD2 1 98 LEU HA 5.760 . 5.760 3.797 3.195 5.663 . 0 0 "[ . 1 . 2 ]" 1
425 1 29 ILE MG 1 40 LYS HA 5.760 . 5.760 4.090 3.928 4.257 . 0 0 "[ . 1 . 2 ]" 1
426 1 17 TRP HZ2 1 82 LEU MD2 5.740 . 5.740 3.407 2.439 5.373 . 0 0 "[ . 1 . 2 ]" 1
427 1 58 PHE HA 1 62 ALA MB 5.720 . 5.720 4.069 3.830 4.220 . 0 0 "[ . 1 . 2 ]" 1
428 1 41 LEU HA 1 62 ALA MB 5.690 . 5.690 3.946 3.723 4.310 . 0 0 "[ . 1 . 2 ]" 1
429 1 10 LEU HG 1 53 ILE MD 5.670 . 5.670 4.722 3.996 5.694 0.024 21 0 "[ . 1 . 2 ]" 1
430 1 31 THR MG 1 40 LYS HA 5.670 . 5.670 2.559 2.037 2.924 . 0 0 "[ . 1 . 2 ]" 1
431 1 22 ARG HA 1 74 VAL MG2 5.620 . 5.620 4.103 2.913 4.791 . 0 0 "[ . 1 . 2 ]" 1
432 1 11 SER H 1 82 LEU MD2 5.620 . 5.620 4.091 2.719 4.901 . 0 0 "[ . 1 . 2 ]" 1
433 1 29 ILE MG 1 40 LYS QE 5.610 . 5.610 2.170 1.902 2.603 . 0 0 "[ . 1 . 2 ]" 1
434 1 24 SER HB3 1 47 LEU MD1 5.600 . 5.600 4.168 3.299 5.094 . 0 0 "[ . 1 . 2 ]" 1
435 1 10 LEU MD1 1 53 ILE MD 5.580 . 5.580 3.154 2.158 5.221 . 0 0 "[ . 1 . 2 ]" 1
436 1 56 THR MG 1 97 GLU HB3 5.580 . 5.580 4.734 2.696 5.674 0.094 13 0 "[ . 1 . 2 ]" 1
437 1 12 PRO HA 1 82 LEU MD2 5.580 . 5.580 4.354 1.972 5.383 . 0 0 "[ . 1 . 2 ]" 1
438 1 21 ALA HA 1 74 VAL MG2 5.580 . 5.580 5.354 4.917 5.673 0.093 18 0 "[ . 1 . 2 ]" 1
439 1 100 LEU HA 1 104 THR MG 5.570 . 5.570 3.957 2.740 4.412 . 0 0 "[ . 1 . 2 ]" 1
440 1 47 LEU MD1 1 52 GLU HG2 5.550 . 5.550 2.839 1.843 3.846 . 0 0 "[ . 1 . 2 ]" 1
441 1 23 VAL MG2 1 71 GLU HG2 5.540 . 5.540 4.219 3.374 5.486 . 0 0 "[ . 1 . 2 ]" 1
442 1 42 PHE HB2 1 62 ALA MB 5.530 . 5.530 3.668 2.315 4.809 . 0 0 "[ . 1 . 2 ]" 1
443 1 10 LEU MD2 1 82 LEU MD1 5.530 . 5.530 3.606 1.957 5.213 . 0 0 "[ . 1 . 2 ]" 1
444 1 7 ILE HA 1 10 LEU MD1 5.510 . 5.510 3.019 1.961 4.973 . 0 0 "[ . 1 . 2 ]" 1
445 1 42 PHE QE 1 62 ALA MB 5.510 . 5.510 3.769 2.718 4.638 . 0 0 "[ . 1 . 2 ]" 1
446 1 4 ILE MD 1 18 THR HB 5.490 . 5.490 4.455 2.363 5.307 . 0 0 "[ . 1 . 2 ]" 1
447 1 74 VAL MG1 1 109 CYS HB3 5.470 . 5.470 4.615 4.116 5.482 0.012 18 0 "[ . 1 . 2 ]" 1
448 1 23 VAL MG2 1 45 ASN HD21 5.450 . 5.450 5.404 5.295 5.474 0.024 16 0 "[ . 1 . 2 ]" 1
449 1 5 PHE HB2 1 10 LEU MD2 5.410 . 5.410 4.140 2.252 5.025 . 0 0 "[ . 1 . 2 ]" 1
450 1 4 ILE MG 1 19 ILE HA 5.400 . 5.400 2.647 2.126 3.653 . 0 0 "[ . 1 . 2 ]" 1
451 1 4 ILE MD 1 76 TYR QD 5.370 . 5.370 3.617 2.655 4.214 . 0 0 "[ . 1 . 2 ]" 1
452 1 18 THR MG 1 76 TYR QD 5.330 . 5.330 2.388 1.861 3.159 . 0 0 "[ . 1 . 2 ]" 1
453 1 10 LEU MD2 1 82 LEU MD2 5.320 . 5.320 2.807 1.830 4.593 . 0 0 "[ . 1 . 2 ]" 1
454 1 47 LEU MD1 1 52 GLU HA 5.300 . 5.300 2.953 2.099 4.734 . 0 0 "[ . 1 . 2 ]" 1
455 1 17 TRP HZ2 1 80 ALA MB 5.290 . 5.290 2.599 1.978 3.245 . 0 0 "[ . 1 . 2 ]" 1
456 1 31 THR MG 1 40 LYS HG2 5.290 . 5.290 4.081 3.366 4.824 . 0 0 "[ . 1 . 2 ]" 1
457 1 5 PHE HD2 1 10 LEU MD2 5.290 . 5.290 4.867 3.734 5.398 0.108 9 0 "[ . 1 . 2 ]" 1
458 1 31 THR MG 1 40 LYS H 5.280 . 5.280 4.613 3.888 5.188 . 0 0 "[ . 1 . 2 ]" 1
459 1 42 PHE QD 1 62 ALA MB 5.270 . 5.270 2.699 2.028 3.369 . 0 0 "[ . 1 . 2 ]" 1
460 1 22 ARG HB3 1 74 VAL MG2 5.270 . 5.270 4.529 3.230 5.444 0.174 15 0 "[ . 1 . 2 ]" 1
461 1 10 LEU MD1 1 19 ILE MG 5.260 . 5.260 3.133 2.456 4.283 . 0 0 "[ . 1 . 2 ]" 1
462 1 79 LYS HD2 1 105 VAL MG1 5.250 . 5.250 5.325 5.266 5.401 0.151 21 0 "[ . 1 . 2 ]" 1
463 1 31 THR MG 1 40 LYS QE 5.220 . 5.220 4.963 4.273 5.318 0.098 8 0 "[ . 1 . 2 ]" 1
464 1 42 PHE HB3 1 62 ALA MB 5.220 . 5.220 2.661 1.933 3.583 . 0 0 "[ . 1 . 2 ]" 1
465 1 23 VAL MG2 1 71 GLU HA 5.170 . 5.170 3.312 2.446 3.897 . 0 0 "[ . 1 . 2 ]" 1
466 1 23 VAL MG2 1 45 ASN HB2 5.160 . 5.160 5.162 4.801 5.327 0.167 15 0 "[ . 1 . 2 ]" 1
467 1 10 LEU HG 1 82 LEU MD2 5.150 . 5.150 3.806 2.483 4.416 . 0 0 "[ . 1 . 2 ]" 1
468 1 74 VAL MG2 1 109 CYS HB3 5.150 . 5.150 3.449 2.061 5.181 0.031 19 0 "[ . 1 . 2 ]" 1
469 1 64 LYS HD3 1 100 LEU MD1 5.140 . 5.140 4.688 4.461 4.824 . 0 0 "[ . 1 . 2 ]" 1
470 1 55 ALA MB 1 98 LEU HG 5.140 . 5.140 3.910 2.531 4.993 . 0 0 "[ . 1 . 2 ]" 1
471 1 19 ILE HG12 1 77 VAL MG2 5.120 . 5.120 4.141 3.465 5.130 0.010 3 0 "[ . 1 . 2 ]" 1
472 1 29 ILE MD 1 40 LYS HD2 5.120 . 5.120 3.767 3.337 4.241 . 0 0 "[ . 1 . 2 ]" 1
473 1 10 LEU HB3 1 82 LEU MD2 5.110 . 5.110 2.308 1.889 3.073 . 0 0 "[ . 1 . 2 ]" 1
474 1 4 ILE MD 1 76 TYR QE 5.100 . 5.100 4.788 3.493 5.081 . 0 0 "[ . 1 . 2 ]" 1
475 1 55 ALA MB 1 98 LEU HB3 5.100 . 5.100 2.923 2.011 3.793 . 0 0 "[ . 1 . 2 ]" 1
476 1 40 LYS HB3 1 62 ALA MB 5.100 . 5.100 4.789 3.780 5.314 0.214 5 0 "[ . 1 . 2 ]" 1
477 1 100 LEU HG 1 104 THR MG 5.070 . 5.070 2.424 1.907 3.847 . 0 0 "[ . 1 . 2 ]" 1
478 1 10 LEU HG 1 19 ILE MD . . 4.880 3.031 2.063 4.906 0.026 12 0 "[ . 1 . 2 ]" 1
479 1 22 ARG HA 1 74 VAL MG1 5.050 . 5.050 3.291 2.843 3.655 . 0 0 "[ . 1 . 2 ]" 1
480 1 21 ALA MB 1 46 PHE HD1 5.040 . 5.040 3.930 3.306 5.112 0.072 4 0 "[ . 1 . 2 ]" 1
481 1 80 ALA MB 1 104 THR MG 5.040 . 5.040 3.716 1.813 4.612 . 0 0 "[ . 1 . 2 ]" 1
482 1 18 THR MG 1 76 TYR HB2 5.030 . 5.030 4.035 3.229 5.130 0.100 15 0 "[ . 1 . 2 ]" 1
483 1 69 LEU MD2 1 75 TYR HD2 5.020 . 5.020 4.443 1.957 5.104 0.084 22 0 "[ . 1 . 2 ]" 1
484 1 64 LYS HD2 1 100 LEU MD1 5.000 . 5.000 4.865 4.208 5.124 0.124 20 0 "[ . 1 . 2 ]" 1
485 1 29 ILE MD 1 62 ALA MB 4.990 . 4.990 4.253 3.472 4.547 . 0 0 "[ . 1 . 2 ]" 1
486 1 29 ILE MG 1 62 ALA MB 4.990 . 4.990 3.582 3.095 3.878 . 0 0 "[ . 1 . 2 ]" 1
487 1 31 THR MG 1 40 LYS HB2 4.970 . 4.970 3.282 2.428 3.606 . 0 0 "[ . 1 . 2 ]" 1
488 1 17 TRP HH2 1 80 ALA MB 4.940 . 4.940 2.274 1.835 2.639 . 0 0 "[ . 1 . 2 ]" 1
489 1 29 ILE MG 1 40 LYS HG3 4.920 . 4.920 2.334 2.055 2.491 . 0 0 "[ . 1 . 2 ]" 1
490 1 4 ILE MD 1 18 THR MG 4.910 . 4.910 3.231 1.763 4.815 . 0 0 "[ . 1 . 2 ]" 1
491 1 22 ARG HB3 1 74 VAL MG1 4.870 . 4.870 3.263 2.153 4.317 . 0 0 "[ . 1 . 2 ]" 1
492 1 10 LEU MD2 1 19 ILE MG 4.860 . 4.860 3.626 3.058 4.525 . 0 0 "[ . 1 . 2 ]" 1
493 1 22 ARG HB2 1 74 VAL MG1 4.860 . 4.860 2.255 1.870 3.012 . 0 0 "[ . 1 . 2 ]" 1
494 1 22 ARG HG2 1 74 VAL MG1 . . 4.820 4.216 2.602 4.861 0.041 3 0 "[ . 1 . 2 ]" 1
495 1 2 ARG QB 1 14 GLN HG2 4.830 . 4.830 3.723 3.309 4.202 . 0 0 "[ . 1 . 2 ]" 1
496 1 80 ALA MB 1 100 LEU MD2 4.820 . 4.820 3.568 1.847 4.859 0.039 7 0 "[ . 1 . 2 ]" 1
497 1 31 THR MG 1 40 LYS HD3 4.800 . 4.800 3.851 3.175 4.443 . 0 0 "[ . 1 . 2 ]" 1
498 1 19 ILE MD 1 77 VAL MG2 4.770 . 4.770 4.516 3.935 4.806 0.036 6 0 "[ . 1 . 2 ]" 1
499 1 4 ILE MD 1 20 LYS HG2 4.770 . 4.770 4.682 4.311 4.810 0.040 2 0 "[ . 1 . 2 ]" 1
500 1 44 VAL H 1 56 THR MG 4.690 . 4.690 3.814 2.780 4.706 0.016 21 0 "[ . 1 . 2 ]" 1
501 1 55 ALA MB 1 98 LEU MD2 7.000 . 7.000 4.124 3.586 4.853 . 0 0 "[ . 1 . 2 ]" 1
502 1 23 VAL MG2 1 44 VAL MG1 4.590 . 4.590 2.829 1.777 4.204 . 0 0 "[ . 1 . 2 ]" 1
503 1 2 ARG QB 1 14 GLN HG3 4.490 . 4.490 4.326 3.892 4.614 0.124 19 0 "[ . 1 . 2 ]" 1
504 1 44 VAL MG2 1 55 ALA MB 4.350 . 4.350 3.225 2.054 4.435 0.085 4 0 "[ . 1 . 2 ]" 1
505 1 100 LEU MD2 1 104 THR MG 4.320 . 4.320 2.086 1.678 3.353 . 0 0 "[ . 1 . 2 ]" 1
506 1 29 ILE MG 1 40 LYS HD2 . . 4.080 1.839 1.785 1.978 . 0 0 "[ . 1 . 2 ]" 1
507 1 82 LEU MD2 1 96 TYR HE1 7.000 . 7.000 3.729 1.917 5.219 . 0 0 "[ . 1 . 2 ]" 1
508 1 10 LEU HA 1 82 LEU MD2 7.000 . 7.000 4.438 3.652 5.319 . 0 0 "[ . 1 . 2 ]" 1
509 1 77 VAL MG2 1 106 ILE HG13 7.000 . 7.000 5.102 2.351 7.009 0.009 18 0 "[ . 1 . 2 ]" 1
510 1 82 LEU MD2 1 97 GLU HG3 7.000 . 7.000 6.237 5.349 7.003 0.003 18 0 "[ . 1 . 2 ]" 1
511 1 11 SER HA 1 82 LEU MD2 7.000 . 7.000 4.883 3.085 5.849 . 0 0 "[ . 1 . 2 ]" 1
512 1 82 LEU MD2 1 96 TYR HD1 7.000 . 7.000 3.997 2.411 5.517 . 0 0 "[ . 1 . 2 ]" 1
513 1 19 ILE MG 1 77 VAL MG2 7.000 . 7.000 2.734 1.873 4.545 . 0 0 "[ . 1 . 2 ]" 1
514 1 74 VAL MG2 1 109 CYS HB2 7.000 . 7.000 3.551 1.946 6.438 . 0 0 "[ . 1 . 2 ]" 1
515 1 42 PHE HB3 1 57 ALA MB 7.000 . 7.000 3.266 1.960 4.332 . 0 0 "[ . 1 . 2 ]" 1
516 1 85 ALA MB 1 96 TYR HA 7.000 . 7.000 2.886 2.226 3.934 . 0 0 "[ . 1 . 2 ]" 1
517 1 17 TRP HZ3 1 77 VAL MG2 7.000 . 7.000 3.996 1.870 5.430 . 0 0 "[ . 1 . 2 ]" 1
518 1 21 ALA MB 1 46 PHE HB2 7.000 . 7.000 3.165 2.577 4.149 . 0 0 "[ . 1 . 2 ]" 1
519 1 92 LEU MD2 1 95 PRO HB2 7.000 . 7.000 6.482 3.774 7.081 0.081 13 0 "[ . 1 . 2 ]" 1
520 1 10 LEU MD1 1 19 ILE MD 6.940 . 6.940 2.281 1.673 4.294 . 0 0 "[ . 1 . 2 ]" 1
521 1 57 ALA MB 1 61 PHE HB2 6.890 . 6.890 4.203 3.798 4.736 . 0 0 "[ . 1 . 2 ]" 1
522 1 4 ILE MG 1 18 THR MG 6.880 . 6.880 3.999 3.357 5.203 . 0 0 "[ . 1 . 2 ]" 1
523 1 26 LYS HA 1 44 VAL MG1 6.850 . 6.850 2.803 1.918 4.960 . 0 0 "[ . 1 . 2 ]" 1
524 1 42 PHE QD 1 57 ALA MB 6.770 . 6.770 1.901 1.838 2.039 . 0 0 "[ . 1 . 2 ]" 1
525 1 77 VAL MG2 1 106 ILE HG12 6.750 . 6.750 4.911 1.986 6.825 0.075 18 0 "[ . 1 . 2 ]" 1
526 1 46 PHE HD1 1 55 ALA MB 6.750 . 6.750 4.954 2.352 5.556 . 0 0 "[ . 1 . 2 ]" 1
527 1 22 ARG HB2 1 74 VAL MG2 6.740 . 6.740 3.416 1.839 4.457 . 0 0 "[ . 1 . 2 ]" 1
528 1 82 LEU MD2 1 96 TYR HB3 6.720 . 6.720 4.093 3.113 5.661 . 0 0 "[ . 1 . 2 ]" 1
529 1 4 ILE MD 1 19 ILE MD 6.700 . 6.700 6.511 3.303 6.774 0.074 14 0 "[ . 1 . 2 ]" 1
530 1 64 LYS HB3 1 100 LEU MD1 6.670 . 6.670 6.387 5.934 6.569 . 0 0 "[ . 1 . 2 ]" 1
531 1 69 LEU MD2 1 106 ILE MD 6.630 . 6.630 4.401 2.105 6.568 . 0 0 "[ . 1 . 2 ]" 1
532 1 44 VAL MG1 1 69 LEU MD2 6.540 . 6.540 3.942 2.850 6.416 . 0 0 "[ . 1 . 2 ]" 1
533 1 7 ILE MG 1 53 ILE MG 6.530 . 6.530 3.058 2.348 3.942 . 0 0 "[ . 1 . 2 ]" 1
534 1 64 LYS QE 1 100 LEU MD1 . . 5.450 3.583 3.278 3.979 . 0 0 "[ . 1 . 2 ]" 1
535 1 65 PHE HZ 1 69 LEU MD2 6.440 . 6.440 3.698 1.878 5.446 . 0 0 "[ . 1 . 2 ]" 1
536 1 44 VAL MG1 1 55 ALA MB 6.440 . 6.440 4.048 2.175 5.111 . 0 0 "[ . 1 . 2 ]" 1
537 1 23 VAL MG1 1 44 VAL MG1 6.370 . 6.370 4.749 3.666 6.280 . 0 0 "[ . 1 . 2 ]" 1
538 1 44 VAL MG1 1 54 ARG HG2 6.160 . 6.160 5.428 4.108 6.014 . 0 0 "[ . 1 . 2 ]" 1
539 1 85 ALA MB 1 97 GLU HB3 6.140 . 6.140 4.475 4.184 5.316 . 0 0 "[ . 1 . 2 ]" 1
540 1 42 PHE QE 1 57 ALA MB 5.900 . 5.900 2.484 1.859 3.348 . 0 0 "[ . 1 . 2 ]" 1
541 1 80 ALA MB 1 98 LEU MD2 5.890 . 5.890 2.736 1.687 4.015 . 0 0 "[ . 1 . 2 ]" 1
542 1 77 VAL MG1 1 80 ALA MB 5.840 . 5.840 3.586 2.606 4.622 . 0 0 "[ . 1 . 2 ]" 1
543 1 80 ALA MB 1 98 LEU MD1 5.550 . 5.550 2.829 1.748 4.299 . 0 0 "[ . 1 . 2 ]" 1
544 1 21 ALA MB 1 53 ILE MG 5.500 . 5.500 2.541 1.836 3.041 . 0 0 "[ . 1 . 2 ]" 1
545 1 2 ARG QB 1 14 GLN HB3 5.390 . 5.390 5.525 5.427 5.645 0.255 20 0 "[ . 1 . 2 ]" 1
546 1 85 ALA MB 1 95 PRO HA 5.070 . 5.070 3.703 2.673 4.337 . 0 0 "[ . 1 . 2 ]" 1
547 1 29 ILE MD 1 40 LYS QE 5.430 . 5.430 3.730 3.101 4.704 . 0 0 "[ . 1 . 2 ]" 1
548 1 29 ILE MD 1 63 THR HA 5.460 . 5.460 4.485 3.819 5.166 . 0 0 "[ . 1 . 2 ]" 1
549 1 46 PHE HB3 1 55 ALA MB 5.490 . 5.490 4.986 4.698 5.264 . 0 0 "[ . 1 . 2 ]" 1
550 1 4 ILE MD 1 76 TYR HB2 5.540 . 5.540 3.466 2.513 5.145 . 0 0 "[ . 1 . 2 ]" 1
551 1 24 SER HB3 1 47 LEU MD2 5.680 . 5.680 4.784 3.211 5.748 0.068 17 0 "[ . 1 . 2 ]" 1
552 1 29 ILE MG 1 40 LYS HB3 5.690 . 5.690 3.726 3.614 3.939 . 0 0 "[ . 1 . 2 ]" 1
553 1 12 PRO HA 1 82 LEU MD1 5.890 . 5.890 2.837 1.968 4.620 . 0 0 "[ . 1 . 2 ]" 1
554 1 24 SER HB2 1 47 LEU MD2 5.950 . 5.950 4.340 2.648 5.228 . 0 0 "[ . 1 . 2 ]" 1
555 1 29 ILE MD 1 66 ASN HB2 5.960 . 5.960 4.746 4.172 5.117 . 0 0 "[ . 1 . 2 ]" 1
556 1 29 ILE MD 1 66 ASN HB3 6.070 . 6.070 4.615 4.163 4.990 . 0 0 "[ . 1 . 2 ]" 1
557 1 55 ALA HA 1 98 LEU MD2 6.200 . 6.200 4.226 3.572 4.729 . 0 0 "[ . 1 . 2 ]" 1
558 1 29 ILE MG 1 42 PHE HB3 6.210 . 6.210 2.844 1.946 4.019 . 0 0 "[ . 1 . 2 ]" 1
559 1 57 ALA MB 1 62 ALA HA 6.220 . 6.220 2.302 1.955 2.565 . 0 0 "[ . 1 . 2 ]" 1
560 1 23 VAL MG2 1 71 GLU HG3 6.460 . 6.460 5.368 4.722 5.959 . 0 0 "[ . 1 . 2 ]" 1
561 1 24 SER HA 1 47 LEU MD2 6.590 . 6.590 5.212 4.074 6.333 . 0 0 "[ . 1 . 2 ]" 1
562 1 43 ASN HA 1 56 THR MG 6.620 . 6.620 2.612 2.051 3.263 . 0 0 "[ . 1 . 2 ]" 1
563 1 31 THR MG 1 38 ASP HB3 6.630 . 6.630 6.019 3.711 6.746 0.116 18 0 "[ . 1 . 2 ]" 1
564 1 78 SER HB2 1 105 VAL MG1 6.710 . 6.710 4.606 3.213 5.729 . 0 0 "[ . 1 . 2 ]" 1
565 1 18 THR MG 1 78 SER HB3 6.750 . 6.750 3.410 1.975 5.162 . 0 0 "[ . 1 . 2 ]" 1
566 1 6 ALA MB 1 9 GLN HG3 7.000 . 7.000 2.306 1.926 4.579 . 0 0 "[ . 1 . 2 ]" 1
567 1 6 ALA MB 1 9 GLN HG2 7.000 . 7.000 2.837 1.841 4.632 . 0 0 "[ . 1 . 2 ]" 1
568 1 31 THR MG 1 39 GLY H 6.900 . 6.900 4.889 3.936 5.460 . 0 0 "[ . 1 . 2 ]" 1
569 1 23 VAL MG2 1 45 ASN HD22 6.590 . 6.590 6.678 6.566 6.760 0.170 19 0 "[ . 1 . 2 ]" 1
570 1 29 ILE MG 1 63 THR H 6.930 . 6.930 5.402 4.811 5.951 . 0 0 "[ . 1 . 2 ]" 1
571 1 29 ILE MD 1 63 THR H 6.870 . 6.870 5.656 4.379 6.309 . 0 0 "[ . 1 . 2 ]" 1
572 1 7 ILE MD 1 51 GLY H 7.000 . 7.000 3.078 1.971 5.001 . 0 0 "[ . 1 . 2 ]" 1
573 1 47 LEU MD1 1 51 GLY H 7.000 . 7.000 5.416 4.191 6.831 . 0 0 "[ . 1 . 2 ]" 1
574 1 7 ILE MG 1 51 GLY H 7.000 . 7.000 4.467 2.962 5.282 . 0 0 "[ . 1 . 2 ]" 1
575 1 43 ASN HD22 1 56 THR MG 6.460 . 6.460 4.110 2.997 5.574 . 0 0 "[ . 1 . 2 ]" 1
576 1 43 ASN HD21 1 56 THR MG 6.410 . 6.410 3.839 1.918 4.983 . 0 0 "[ . 1 . 2 ]" 1
577 1 23 VAL MG2 1 72 GLY H 6.300 . 6.300 3.961 2.891 4.666 . 0 0 "[ . 1 . 2 ]" 1
578 1 65 PHE H 1 69 LEU MD1 6.650 . 6.650 6.610 6.225 6.800 0.150 11 0 "[ . 1 . 2 ]" 1
579 1 65 PHE H 1 100 LEU MD1 6.580 . 6.580 5.002 4.499 5.411 . 0 0 "[ . 1 . 2 ]" 1
580 1 44 VAL MG2 1 56 THR H 6.430 . 6.430 5.404 3.929 6.735 0.305 1 0 "[ . 1 . 2 ]" 1
581 1 11 SER H 1 19 ILE MG 7.000 . 7.000 7.013 6.414 7.160 0.160 11 0 "[ . 1 . 2 ]" 1
582 1 19 ILE MG 1 79 LYS H 6.580 . 6.580 5.541 4.087 6.894 0.314 11 0 "[ . 1 . 2 ]" 1
583 1 11 SER H 1 82 LEU MD1 6.770 . 6.770 3.296 1.892 4.289 . 0 0 "[ . 1 . 2 ]" 1
584 1 6 ALA MB 1 9 GLN H 5.680 . 5.680 2.730 2.271 3.254 . 0 0 "[ . 1 . 2 ]" 1
585 1 29 ILE MD 1 66 ASN QD . . 5.520 3.336 2.447 4.096 . 0 0 "[ . 1 . 2 ]" 1
586 1 66 ASN QD 1 69 LEU MD1 7.000 . 7.000 5.515 4.186 6.084 . 0 0 "[ . 1 . 2 ]" 1
587 1 85 ALA MB 1 97 GLU H 6.510 . 6.510 3.699 3.041 4.733 . 0 0 "[ . 1 . 2 ]" 1
588 1 82 LEU MD2 1 97 GLU H 6.870 . 6.870 3.796 3.045 4.779 . 0 0 "[ . 1 . 2 ]" 1
589 1 82 LEU MD1 1 97 GLU H 7.000 . 7.000 4.433 3.614 6.765 . 0 0 "[ . 1 . 2 ]" 1
590 1 53 ILE MD 1 97 GLU H 7.000 . 7.000 5.809 4.553 6.901 . 0 0 "[ . 1 . 2 ]" 1
591 1 80 ALA MB 1 104 THR H 7.000 . 7.000 5.925 4.727 6.564 . 0 0 "[ . 1 . 2 ]" 1
592 1 100 LEU MD2 1 104 THR H 6.900 . 6.900 4.144 3.649 4.503 . 0 0 "[ . 1 . 2 ]" 1
593 1 27 GLY H 1 44 VAL MG1 6.400 . 6.400 3.195 2.214 4.607 . 0 0 "[ . 1 . 2 ]" 1
594 1 69 LEU H 1 106 ILE MD 7.000 . 7.000 4.304 2.594 6.744 . 0 0 "[ . 1 . 2 ]" 1
595 1 29 ILE MG 1 40 LYS H 7.000 . 7.000 5.545 5.420 5.721 . 0 0 "[ . 1 . 2 ]" 1
596 1 78 SER H 1 105 VAL MG1 6.000 . 6.000 4.284 3.443 4.569 . 0 0 "[ . 1 . 2 ]" 1
597 1 80 ALA H 1 104 THR MG 6.800 . 6.800 6.044 3.640 6.829 0.029 9 0 "[ . 1 . 2 ]" 1
598 1 80 ALA H 1 98 LEU MD2 6.730 . 6.730 5.318 4.410 6.440 . 0 0 "[ . 1 . 2 ]" 1
599 1 21 ALA MB 1 46 PHE H 6.820 . 6.820 5.027 4.378 5.636 . 0 0 "[ . 1 . 2 ]" 1
600 1 77 VAL MG1 1 80 ALA H 6.750 . 6.750 6.056 4.819 6.873 0.123 11 0 "[ . 1 . 2 ]" 1
601 1 29 ILE MD 1 66 ASN H 6.510 . 6.510 6.236 5.883 6.544 0.034 11 0 "[ . 1 . 2 ]" 1
602 1 14 GLN H 1 82 LEU MD1 7.000 . 7.000 5.345 4.142 6.155 . 0 0 "[ . 1 . 2 ]" 1
603 1 19 ILE H 1 77 VAL MG1 7.000 . 7.000 4.905 3.682 5.694 . 0 0 "[ . 1 . 2 ]" 1
604 1 66 ASN H 1 69 LEU MD1 6.620 . 6.620 5.330 4.997 5.669 . 0 0 "[ . 1 . 2 ]" 1
605 1 19 ILE H 1 77 VAL MG2 7.000 . 7.000 4.128 3.255 5.441 . 0 0 "[ . 1 . 2 ]" 1
606 1 52 GLU H 1 93 THR MG 7.000 . 7.000 5.460 2.993 6.989 . 0 0 "[ . 1 . 2 ]" 1
607 1 47 LEU MD1 1 52 GLU H 6.740 . 6.740 4.825 3.784 6.525 . 0 0 "[ . 1 . 2 ]" 1
608 1 7 ILE MG 1 50 SER H 7.000 . 7.000 5.835 3.492 7.020 0.020 13 0 "[ . 1 . 2 ]" 1
609 1 10 LEU H 1 19 ILE MG 6.870 . 6.870 6.814 6.396 7.069 0.199 9 0 "[ . 1 . 2 ]" 1
610 1 64 LYS H 1 100 LEU MD1 6.500 . 6.500 6.469 6.216 6.630 0.130 8 0 "[ . 1 . 2 ]" 1
611 1 81 LYS H 1 98 LEU MD1 7.000 . 7.000 4.951 2.901 6.876 . 0 0 "[ . 1 . 2 ]" 1
612 1 81 LYS H 1 104 THR MG 7.000 . 7.000 6.257 4.427 7.105 0.105 16 0 "[ . 1 . 2 ]" 1
613 1 81 LYS H 1 98 LEU MD2 6.840 . 6.840 4.223 2.925 5.359 . 0 0 "[ . 1 . 2 ]" 1
614 1 81 LYS H 1 100 LEU MD2 7.000 . 7.000 5.352 3.700 6.743 . 0 0 "[ . 1 . 2 ]" 1
615 1 44 VAL MG1 1 70 GLN H 7.000 . 7.000 7.138 6.890 7.228 0.228 13 0 "[ . 1 . 2 ]" 1
616 1 23 VAL MG2 1 45 ASN H 6.680 . 6.680 3.923 3.329 4.507 . 0 0 "[ . 1 . 2 ]" 1
617 1 83 GLN H 1 98 LEU MD2 6.730 . 6.730 3.661 2.241 5.255 . 0 0 "[ . 1 . 2 ]" 1
618 1 23 VAL MG2 1 73 LYS H 6.640 . 6.640 4.799 4.207 5.320 . 0 0 "[ . 1 . 2 ]" 1
619 1 31 THR MG 1 41 LEU H 6.180 . 6.180 3.747 3.194 4.049 . 0 0 "[ . 1 . 2 ]" 1
620 1 29 ILE MG 1 41 LEU H 4.800 . 4.800 3.020 2.452 3.579 . 0 0 "[ . 1 . 2 ]" 1
621 1 53 ILE MD 1 96 TYR H 7.000 . 7.000 5.653 4.311 6.987 . 0 0 "[ . 1 . 2 ]" 1
622 1 82 LEU MD2 1 96 TYR H 7.000 . 7.000 6.466 5.612 7.076 0.076 18 0 "[ . 1 . 2 ]" 1
623 1 85 ALA MB 1 96 TYR H 6.790 . 6.790 3.488 2.718 4.169 . 0 0 "[ . 1 . 2 ]" 1
624 1 42 PHE H 1 62 ALA MB 5.990 . 5.990 3.403 2.992 4.207 . 0 0 "[ . 1 . 2 ]" 1
625 1 25 TYR H 1 44 VAL MG1 6.790 . 6.790 4.835 3.304 6.583 . 0 0 "[ . 1 . 2 ]" 1
626 1 4 ILE H 1 18 THR MG 7.000 . 7.000 3.541 2.487 4.721 . 0 0 "[ . 1 . 2 ]" 1
627 1 43 ASN H 1 56 THR MG 6.460 . 6.460 4.499 3.839 5.380 . 0 0 "[ . 1 . 2 ]" 1
628 1 19 ILE MD 1 77 VAL H 6.870 . 6.870 5.483 4.496 6.171 . 0 0 "[ . 1 . 2 ]" 1
629 1 47 LEU MD2 1 53 ILE H 6.030 . 6.030 5.771 3.609 6.128 0.098 6 0 "[ . 1 . 2 ]" 1
630 1 74 VAL MG2 1 109 CYS H 6.780 . 6.780 4.365 3.396 5.811 . 0 0 "[ . 1 . 2 ]" 1
631 1 74 VAL MG1 1 109 CYS H 7.000 . 7.000 5.283 4.509 5.749 . 0 0 "[ . 1 . 2 ]" 1
632 1 29 ILE MD 1 62 ALA H 6.990 . 6.990 6.832 5.650 7.105 0.115 2 0 "[ . 1 . 2 ]" 1
633 1 29 ILE MG 1 62 ALA H 7.000 . 7.000 5.753 4.989 6.146 . 0 0 "[ . 1 . 2 ]" 1
634 1 82 LEU H 1 98 LEU MD2 6.660 . 6.660 4.509 3.988 5.214 . 0 0 "[ . 1 . 2 ]" 1
635 1 4 ILE MG 1 20 LYS H 4.210 . 4.210 2.553 1.968 3.687 . 0 0 "[ . 1 . 2 ]" 1
636 1 44 VAL MG2 1 57 ALA H 6.970 . 6.970 4.836 3.098 6.676 . 0 0 "[ . 1 . 2 ]" 1
637 1 24 SER H 1 44 VAL MG1 7.000 . 7.000 4.874 3.119 6.361 . 0 0 "[ . 1 . 2 ]" 1
638 1 44 VAL MG2 1 55 ALA H 6.890 . 6.890 3.712 2.523 5.254 . 0 0 "[ . 1 . 2 ]" 1
639 1 101 ASP H 1 104 THR MG 6.150 . 6.150 4.127 3.178 4.975 . 0 0 "[ . 1 . 2 ]" 1
640 1 21 ALA H 1 74 VAL MG2 5.480 . 5.480 5.168 4.439 5.601 0.121 6 0 "[ . 1 . 2 ]" 1
641 1 21 ALA H 1 77 VAL MG2 5.820 . 5.820 4.497 3.383 5.515 . 0 0 "[ . 1 . 2 ]" 1
642 1 32 TRP HE1 1 41 LEU MD1 7.000 . 7.000 3.559 1.848 4.976 . 0 0 "[ . 1 . 2 ]" 1
643 1 80 ALA MB 1 105 VAL H 6.920 . 6.920 4.809 4.203 5.524 . 0 0 "[ . 1 . 2 ]" 1
644 1 26 LYS H 1 44 VAL MG1 6.940 . 6.940 5.104 4.158 7.123 0.183 18 0 "[ . 1 . 2 ]" 1
645 1 17 TRP HE1 1 82 LEU MD1 6.040 . 6.040 4.419 2.391 5.561 . 0 0 "[ . 1 . 2 ]" 1
646 1 10 LEU MD2 1 17 TRP HE1 7.000 . 7.000 4.066 3.051 6.637 . 0 0 "[ . 1 . 2 ]" 1
647 1 17 TRP HE1 1 82 LEU MD2 7.000 . 7.000 4.116 2.771 5.413 . 0 0 "[ . 1 . 2 ]" 1
648 1 90 THR MG 1 91 ASN HB2 5.980 . 5.980 4.884 3.424 5.930 . 0 0 "[ . 1 . 2 ]" 1
649 1 82 LEU MD2 1 83 GLN HG3 5.780 . 5.780 4.217 3.728 5.300 . 0 0 "[ . 1 . 2 ]" 1
650 1 4 ILE MG 1 5 PHE HB2 5.750 . 5.750 4.738 4.476 5.045 . 0 0 "[ . 1 . 2 ]" 1
651 1 104 THR HA 1 105 VAL MG1 5.520 . 5.520 5.406 5.375 5.468 . 0 0 "[ . 1 . 2 ]" 1
652 1 62 ALA MB 1 63 THR H 5.420 . 5.420 2.618 2.502 2.730 . 0 0 "[ . 1 . 2 ]" 1
653 1 10 LEU MD2 1 11 SER H 5.370 . 5.370 2.809 1.953 4.440 . 0 0 "[ . 1 . 2 ]" 1
654 1 82 LEU MD2 1 83 GLN H 5.330 . 5.330 2.297 1.953 3.310 . 0 0 "[ . 1 . 2 ]" 1
655 1 23 VAL MG2 1 24 SER H . . 3.900 2.593 2.307 2.883 . 0 0 "[ . 1 . 2 ]" 1
656 1 18 THR MG 1 19 ILE H 5.010 . 5.010 2.718 2.273 3.884 . 0 0 "[ . 1 . 2 ]" 1
657 1 16 VAL MG2 1 17 TRP H 4.960 . 4.960 3.483 2.301 4.148 . 0 0 "[ . 1 . 2 ]" 1
658 1 15 ASN HB2 1 16 VAL MG1 4.950 . 4.950 3.741 2.618 5.078 0.128 13 0 "[ . 1 . 2 ]" 1
659 1 104 THR MG 1 105 VAL H 4.930 . 4.930 3.058 2.074 3.783 . 0 0 "[ . 1 . 2 ]" 1
660 1 47 LEU MD1 1 48 ASP H 4.910 . 4.910 3.035 1.866 4.279 . 0 0 "[ . 1 . 2 ]" 1
661 1 29 ILE MG 1 30 LYS H 4.870 . 4.870 2.967 2.588 3.356 . 0 0 "[ . 1 . 2 ]" 1
662 1 22 ARG HG2 1 23 VAL MG2 7.000 . 7.000 5.064 4.744 5.323 . 0 0 "[ . 1 . 2 ]" 1
663 1 84 PRO HA 1 85 ALA MB 7.000 . 7.000 3.851 3.806 3.975 . 0 0 "[ . 1 . 2 ]" 1
664 1 99 ASN HD22 1 100 LEU MD2 6.760 . 6.760 6.617 6.148 6.787 0.027 13 0 "[ . 1 . 2 ]" 1
665 1 67 GLU HG2 1 68 ILE MG 5.590 . 5.590 5.609 5.559 5.660 0.070 6 0 "[ . 1 . 2 ]" 1
666 1 63 THR MG 1 64 LYS HA 5.750 . 5.750 3.732 3.554 3.815 . 0 0 "[ . 1 . 2 ]" 1
667 1 56 THR HA 1 57 ALA MB 6.800 . 6.800 3.886 3.804 4.002 . 0 0 "[ . 1 . 2 ]" 1
668 1 92 LEU MD2 1 93 THR H 6.240 . 6.240 3.585 2.259 4.909 . 0 0 "[ . 1 . 2 ]" 1
669 1 79 LYS H 1 80 ALA MB 7.000 . 7.000 4.141 3.956 4.248 . 0 0 "[ . 1 . 2 ]" 1
670 1 9 GLN H 1 10 LEU MD1 7.000 . 7.000 5.031 2.435 5.567 . 0 0 "[ . 1 . 2 ]" 1
671 1 10 LEU MD1 1 11 SER H 6.760 . 6.760 4.106 2.054 5.050 . 0 0 "[ . 1 . 2 ]" 1
672 1 97 GLU H 1 98 LEU MD2 6.790 . 6.790 4.874 3.141 6.675 . 0 0 "[ . 1 . 2 ]" 1
673 1 61 PHE H 1 62 ALA MB 5.800 . 5.800 4.322 4.222 4.411 . 0 0 "[ . 1 . 2 ]" 1
674 1 91 ASN H 1 92 LEU MD2 7.000 . 7.000 4.408 2.590 5.252 . 0 0 "[ . 1 . 2 ]" 1
675 1 90 THR MG 1 91 ASN H 6.900 . 6.900 3.216 2.191 4.337 . 0 0 "[ . 1 . 2 ]" 1
676 1 18 THR H 1 19 ILE MG 6.560 . 6.560 4.787 3.533 5.887 . 0 0 "[ . 1 . 2 ]" 1
677 1 103 ASP H 1 104 THR MG 6.730 . 6.730 5.706 5.122 6.048 . 0 0 "[ . 1 . 2 ]" 1
678 1 77 VAL MG2 1 78 SER H 6.320 . 6.320 4.110 3.499 4.428 . 0 0 "[ . 1 . 2 ]" 1
679 1 77 VAL MG1 1 78 SER H 5.680 . 5.680 2.756 2.218 3.823 . 0 0 "[ . 1 . 2 ]" 1
680 1 57 ALA MB 1 58 PHE H 6.040 . 6.040 2.683 2.414 2.906 . 0 0 "[ . 1 . 2 ]" 1
681 1 49 THR MG 1 50 SER H 6.800 . 6.800 3.559 3.464 3.775 . 0 0 "[ . 1 . 2 ]" 1
682 1 7 ILE MG 1 8 GLU H 7.000 . 7.000 3.469 3.146 3.870 . 0 0 "[ . 1 . 2 ]" 1
683 1 7 ILE MD 1 8 GLU H 7.000 . 7.000 4.253 2.527 4.670 . 0 0 "[ . 1 . 2 ]" 1
684 1 80 ALA MB 1 81 LYS H 5.840 . 5.840 2.686 2.485 2.823 . 0 0 "[ . 1 . 2 ]" 1
685 1 44 VAL MG1 1 45 ASN H 6.110 . 6.110 3.070 2.212 3.829 . 0 0 "[ . 1 . 2 ]" 1
686 1 69 LEU MD1 1 70 GLN H 6.240 . 6.240 4.160 3.095 4.830 . 0 0 "[ . 1 . 2 ]" 1
687 1 69 LEU MD2 1 70 GLN H 6.530 . 6.530 3.052 2.039 4.177 . 0 0 "[ . 1 . 2 ]" 1
688 1 82 LEU MD1 1 83 GLN H 7.000 . 7.000 2.868 2.058 4.811 . 0 0 "[ . 1 . 2 ]" 1
689 1 85 ALA MB 1 86 LYS H 5.860 . 5.860 2.882 2.493 3.071 . 0 0 "[ . 1 . 2 ]" 1
690 1 98 LEU MD2 1 99 ASN H 4.400 . 4.400 3.012 1.959 3.674 . 0 0 "[ . 1 . 2 ]" 1
691 1 41 LEU MD2 1 42 PHE H 6.010 . 6.010 3.630 2.400 4.428 . 0 0 "[ . 1 . 2 ]" 1
692 1 41 LEU MD1 1 42 PHE H 6.390 . 6.390 3.489 1.887 4.575 . 0 0 "[ . 1 . 2 ]" 1
693 1 31 THR MG 1 32 TRP H 5.820 . 5.820 3.927 3.789 4.219 . 0 0 "[ . 1 . 2 ]" 1
694 1 74 VAL MG2 1 75 TYR H 5.710 . 5.710 3.694 3.155 4.123 . 0 0 "[ . 1 . 2 ]" 1
695 1 74 VAL MG1 1 75 TYR H 6.000 . 6.000 3.535 2.150 4.323 . 0 0 "[ . 1 . 2 ]" 1
696 1 19 ILE MD 1 20 LYS H 6.840 . 6.840 4.156 3.473 4.511 . 0 0 "[ . 1 . 2 ]" 1
697 1 56 THR MG 1 57 ALA H 5.160 . 5.160 3.311 2.356 4.205 . 0 0 "[ . 1 . 2 ]" 1
698 1 100 LEU MD2 1 101 ASP H 5.980 . 5.980 2.836 2.336 3.515 . 0 0 "[ . 1 . 2 ]" 1
699 1 93 THR MG 1 94 HIS H 6.050 . 6.050 2.781 2.275 4.076 . 0 0 "[ . 1 . 2 ]" 1
700 1 100 LEU MD1 1 101 ASP H 6.960 . 6.960 3.193 1.914 4.538 . 0 0 "[ . 1 . 2 ]" 1
701 1 6 ALA MB 1 7 ILE H 6.230 . 6.230 2.836 2.663 3.138 . 0 0 "[ . 1 . 2 ]" 1
702 1 105 VAL H 1 106 ILE MD 6.520 . 6.520 5.391 3.226 6.611 0.091 22 0 "[ . 1 . 2 ]" 1
703 1 53 ILE MD 1 54 ARG H 7.000 . 7.000 3.721 3.675 3.967 . 0 0 "[ . 1 . 2 ]" 1
704 1 47 LEU MD2 1 48 ASP H 5.350 . 5.350 3.601 2.260 4.197 . 0 0 "[ . 1 . 2 ]" 1
705 1 29 ILE MD 1 30 LYS H 6.000 . 6.000 5.390 5.215 5.514 . 0 0 "[ . 1 . 2 ]" 1
706 1 70 GLN HG3 1 71 GLU HG3 3.570 . 3.570 3.654 3.615 3.682 0.112 18 0 "[ . 1 . 2 ]" 1
707 1 70 GLN HG2 1 71 GLU HG3 3.460 . 3.460 3.633 3.552 3.679 0.219 6 0 "[ . 1 . 2 ]" 1
708 1 36 ARG HB3 1 37 GLY HA2 5.500 . 5.500 5.297 4.574 5.654 0.154 2 0 "[ . 1 . 2 ]" 1
709 1 83 GLN HB2 1 84 PRO HD2 5.390 . 5.390 3.897 2.502 4.766 . 0 0 "[ . 1 . 2 ]" 1
710 1 64 LYS QE 1 65 PHE QD 3.470 . 3.470 3.537 3.458 3.587 0.117 4 0 "[ . 1 . 2 ]" 1
711 1 101 ASP HB3 1 102 ARG HG2 3.510 . 3.510 3.583 3.536 3.614 0.104 15 0 "[ . 1 . 2 ]" 1
712 1 29 ILE HA 1 30 LYS HD3 3.870 . 3.870 3.988 3.899 4.080 0.210 5 0 "[ . 1 . 2 ]" 1
713 1 13 TYR HB3 1 14 GLN H 4.090 . 4.090 2.808 2.511 3.918 . 0 0 "[ . 1 . 2 ]" 1
714 1 75 TYR HB2 1 76 TYR HB3 4.100 . 4.100 4.458 4.324 4.595 0.495 9 0 "[ . 1 . 2 ]" 1
715 1 13 TYR HB2 1 14 GLN H 4.110 . 4.110 3.674 2.828 3.892 . 0 0 "[ . 1 . 2 ]" 1
716 1 66 ASN HB3 1 67 GLU H . . 3.940 2.740 2.499 2.837 . 0 0 "[ . 1 . 2 ]" 1
717 1 61 PHE HB2 1 62 ALA H 4.200 . 4.200 2.625 2.551 2.720 . 0 0 "[ . 1 . 2 ]" 1
718 1 101 ASP HB2 1 102 ARG H 4.210 . 4.210 3.189 1.989 3.650 . 0 0 "[ . 1 . 2 ]" 1
719 1 68 ILE HB 1 69 LEU HB2 4.230 . 4.230 4.122 3.874 4.390 0.160 13 0 "[ . 1 . 2 ]" 1
720 1 28 GLU HG3 1 29 ILE HB 4.270 . 4.270 4.401 4.041 4.682 0.412 18 0 "[ . 1 . 2 ]" 1
721 1 44 VAL HA 1 45 ASN HB3 6.000 . 6.000 5.278 4.734 5.675 . 0 0 "[ . 1 . 2 ]" 1
722 1 101 ASP HB3 1 102 ARG HB2 4.320 . 4.320 4.314 4.107 4.386 0.066 22 0 "[ . 1 . 2 ]" 1
723 1 87 PRO HB2 1 88 GLN HA 4.410 . 4.410 4.166 3.991 4.608 0.198 15 0 "[ . 1 . 2 ]" 1
724 1 70 GLN HA 1 71 GLU HA 4.600 . 4.600 4.541 4.520 4.570 . 0 0 "[ . 1 . 2 ]" 1
725 1 78 SER HB2 1 79 LYS HG3 4.630 . 4.630 3.942 2.729 4.611 . 0 0 "[ . 1 . 2 ]" 1
726 1 85 ALA HA 1 86 LYS HD3 4.730 . 4.730 4.259 3.251 4.737 0.007 22 0 "[ . 1 . 2 ]" 1
727 1 69 LEU HB3 1 70 GLN HA 4.770 . 4.770 4.676 4.456 4.820 0.050 8 0 "[ . 1 . 2 ]" 1
728 1 70 GLN HA 1 71 GLU HG3 4.850 . 4.850 2.794 2.742 2.840 . 0 0 "[ . 1 . 2 ]" 1
729 1 83 GLN HB2 1 84 PRO HA 4.960 . 4.960 4.933 4.790 5.065 0.105 13 0 "[ . 1 . 2 ]" 1
730 1 103 ASP HB3 1 104 THR H . . 4.400 4.190 3.722 4.440 0.040 3 0 "[ . 1 . 2 ]" 1
731 1 78 SER HB3 1 79 LYS HG3 5.190 . 5.190 3.902 2.711 5.316 0.126 21 0 "[ . 1 . 2 ]" 1
732 1 102 ARG HA 1 103 ASP HA 5.460 . 5.460 4.528 4.423 4.917 . 0 0 "[ . 1 . 2 ]" 1
733 1 67 GLU HG2 1 68 ILE H 5.500 . 5.500 3.932 3.860 4.044 . 0 0 "[ . 1 . 2 ]" 1
734 1 48 ASP HB3 1 49 THR H 5.230 . 5.230 3.832 3.666 3.966 . 0 0 "[ . 1 . 2 ]" 1
735 1 38 ASP HB2 1 39 GLY H 4.220 . 4.220 3.779 2.555 4.450 0.230 5 0 "[ . 1 . 2 ]" 1
736 1 36 ARG HB2 1 37 GLY H 5.420 . 5.420 3.359 3.046 4.119 . 0 0 "[ . 1 . 2 ]" 1
737 1 36 ARG HG2 1 37 GLY H 5.500 . 5.500 4.801 4.216 5.164 . 0 0 "[ . 1 . 2 ]" 1
738 1 36 ARG H 1 37 GLY H 5.500 . 5.500 2.574 2.191 2.686 . 0 0 "[ . 1 . 2 ]" 1
739 1 36 ARG HB3 1 37 GLY H 5.500 . 5.500 3.835 3.072 4.362 . 0 0 "[ . 1 . 2 ]" 1
740 1 89 PHE HB2 1 90 THR H 5.500 . 5.500 3.591 2.632 3.834 . 0 0 "[ . 1 . 2 ]" 1
741 1 63 THR H 1 64 LYS H 4.200 . 4.200 2.679 2.647 2.714 . 0 0 "[ . 1 . 2 ]" 1
742 1 63 THR H 1 64 LYS HB3 5.130 . 5.130 4.359 4.309 4.407 . 0 0 "[ . 1 . 2 ]" 1
743 1 63 THR H 1 64 LYS HB2 5.500 . 5.500 5.633 5.581 5.674 0.174 10 0 "[ . 1 . 2 ]" 1
744 1 63 THR H 1 64 LYS HA 5.500 . 5.500 5.347 5.328 5.370 . 0 0 "[ . 1 . 2 ]" 1
745 1 92 LEU HG 1 93 THR H 5.500 . 5.500 4.729 1.994 5.215 . 0 0 "[ . 1 . 2 ]" 1
746 1 50 SER HB3 1 51 GLY H 5.120 . 5.120 3.410 2.478 3.951 . 0 0 "[ . 1 . 2 ]" 1
747 1 50 SER H 1 51 GLY H 4.280 . 4.280 2.733 2.638 2.929 . 0 0 "[ . 1 . 2 ]" 1
748 1 92 LEU HB2 1 93 THR H 4.880 . 4.880 3.763 1.993 4.239 . 0 0 "[ . 1 . 2 ]" 1
749 1 93 THR H 1 94 HIS HB2 5.500 . 5.500 5.266 3.707 5.713 0.213 13 0 "[ . 1 . 2 ]" 1
750 1 87 PRO HB2 1 88 GLN HE21 4.810 . 4.810 3.215 2.545 4.878 0.068 5 0 "[ . 1 . 2 ]" 1
751 1 87 PRO HB3 1 88 GLN HE22 5.250 . 5.250 5.293 5.050 5.401 0.151 19 0 "[ . 1 . 2 ]" 1
752 1 72 GLY H 1 73 LYS HD3 5.110 . 5.110 3.944 2.604 4.249 . 0 0 "[ . 1 . 2 ]" 1
753 1 71 GLU HB2 1 72 GLY H 4.810 . 4.810 3.599 2.393 3.971 . 0 0 "[ . 1 . 2 ]" 1
754 1 71 GLU HG2 1 72 GLY H 4.730 . 4.730 4.675 4.533 4.890 0.160 13 0 "[ . 1 . 2 ]" 1
755 1 71 GLU H 1 72 GLY H . . 5.400 4.239 1.989 4.485 . 0 0 "[ . 1 . 2 ]" 1
756 1 64 LYS H 1 65 PHE H 4.390 . 4.390 2.413 2.388 2.448 . 0 0 "[ . 1 . 2 ]" 1
757 1 64 LYS HG2 1 65 PHE H 4.480 . 4.480 3.868 3.811 3.922 . 0 0 "[ . 1 . 2 ]" 1
758 1 65 PHE H 1 66 ASN HB3 5.500 . 5.500 5.059 4.435 5.272 . 0 0 "[ . 1 . 2 ]" 1
759 1 64 LYS HB3 1 65 PHE H 4.620 . 4.620 3.146 3.086 3.247 . 0 0 "[ . 1 . 2 ]" 1
760 1 64 LYS QE 1 65 PHE H 5.500 . 5.500 3.015 2.949 3.085 . 0 0 "[ . 1 . 2 ]" 1
761 1 43 ASN HB2 1 44 VAL H 5.500 . 5.500 3.850 2.715 4.469 . 0 0 "[ . 1 . 2 ]" 1
762 1 43 ASN HB3 1 44 VAL H 5.500 . 5.500 3.721 2.911 4.235 . 0 0 "[ . 1 . 2 ]" 1
763 1 66 ASN H 1 67 GLU H 3.920 . 3.920 2.556 2.508 2.635 . 0 0 "[ . 1 . 2 ]" 1
764 1 64 LYS HD2 1 65 PHE H 4.110 . 4.110 3.968 3.890 4.090 . 0 0 "[ . 1 . 2 ]" 1
765 1 66 ASN HB2 1 67 GLU H 3.880 . 3.880 3.538 3.395 3.811 . 0 0 "[ . 1 . 2 ]" 1
766 1 65 PHE QE 1 66 ASN QD 4.590 . 4.590 4.294 3.156 4.454 . 0 0 "[ . 1 . 2 ]" 1
767 1 56 THR H 1 57 ALA H 4.850 . 4.850 4.405 4.201 4.518 . 0 0 "[ . 1 . 2 ]" 1
768 1 78 SER HB2 1 79 LYS H 5.500 . 5.500 3.329 2.404 4.252 . 0 0 "[ . 1 . 2 ]" 1
769 1 10 LEU HG 1 11 SER H 4.740 . 4.740 4.316 3.616 4.927 0.187 15 0 "[ . 1 . 2 ]" 1
770 1 78 SER HB3 1 79 LYS H 4.930 . 4.930 3.871 3.634 4.011 . 0 0 "[ . 1 . 2 ]" 1
771 1 43 ASN H 1 44 VAL H 4.950 . 4.950 4.427 4.227 4.522 . 0 0 "[ . 1 . 2 ]" 1
772 1 10 LEU HB3 1 11 SER H 4.390 . 4.390 2.928 1.995 3.464 . 0 0 "[ . 1 . 2 ]" 1
773 1 10 LEU H 1 11 SER H 4.640 . 4.640 4.657 4.605 4.685 0.045 12 0 "[ . 1 . 2 ]" 1
774 1 9 GLN H 1 10 LEU HG 4.830 . 4.830 4.946 4.033 5.103 0.273 18 0 "[ . 1 . 2 ]" 1
775 1 30 LYS HB3 1 31 THR H 4.640 . 4.640 3.173 2.477 4.055 . 0 0 "[ . 1 . 2 ]" 1
776 1 30 LYS HG2 1 31 THR H 4.390 . 4.390 4.023 2.862 4.888 0.498 20 0 "[ . 1 . 2 ]" 1
777 1 9 GLN H 1 10 LEU H 4.430 . 4.430 2.601 2.124 2.777 . 0 0 "[ . 1 . 2 ]" 1
778 1 8 GLU HB3 1 9 GLN H 5.270 . 5.270 3.976 3.701 4.446 . 0 0 "[ . 1 . 2 ]" 1
779 1 8 GLU H 1 9 GLN H 5.320 . 5.320 2.666 2.573 2.781 . 0 0 "[ . 1 . 2 ]" 1
780 1 30 LYS HD2 1 31 THR H 4.580 . 4.580 4.372 3.766 5.050 0.470 9 0 "[ . 1 . 2 ]" 1
781 1 66 ASN QD 1 67 GLU HA 5.270 . 5.270 5.084 4.955 5.148 . 0 0 "[ . 1 . 2 ]" 1
782 1 13 TYR H 1 14 GLN H 4.450 . 4.450 2.677 2.560 2.767 . 0 0 "[ . 1 . 2 ]" 1
783 1 13 TYR H 1 14 GLN HB3 5.010 . 5.010 5.001 4.780 5.100 0.090 19 0 "[ . 1 . 2 ]" 1
784 1 96 TYR HB3 1 97 GLU H 5.390 . 5.390 3.276 2.449 4.140 . 0 0 "[ . 1 . 2 ]" 1
785 1 96 TYR HD1 1 97 GLU H 5.070 . 5.070 3.118 1.952 4.147 . 0 0 "[ . 1 . 2 ]" 1
786 1 96 TYR HE1 1 97 GLU H 5.500 . 5.500 4.876 3.835 5.759 0.259 19 0 "[ . 1 . 2 ]" 1
787 1 97 GLU H 1 98 LEU HB2 5.210 . 5.210 5.353 5.090 5.639 0.429 14 0 "[ . 1 . 2 ]" 1
788 1 96 TYR H 1 97 GLU H 5.500 . 5.500 4.473 4.396 4.507 . 0 0 "[ . 1 . 2 ]" 1
789 1 27 GLY H 1 28 GLU HG2 5.500 . 5.500 5.736 5.396 5.830 0.330 7 0 "[ . 1 . 2 ]" 1
790 1 26 LYS HG2 1 27 GLY H 5.500 . 5.500 4.165 2.949 4.898 . 0 0 "[ . 1 . 2 ]" 1
791 1 26 LYS HB3 1 27 GLY H 4.480 . 4.480 3.531 3.275 4.333 . 0 0 "[ . 1 . 2 ]" 1
792 1 26 LYS HE2 1 27 GLY H 5.500 . 5.500 5.056 4.689 5.670 0.170 7 0 "[ . 1 . 2 ]" 1
793 1 27 GLY H 1 28 GLU HB3 5.500 . 5.500 5.249 4.931 5.616 0.116 18 0 "[ . 1 . 2 ]" 1
794 1 101 ASP HB3 1 102 ARG H 4.580 . 4.580 2.258 2.113 2.593 . 0 0 "[ . 1 . 2 ]" 1
795 1 91 ASN H 1 92 LEU HG 5.500 . 5.500 4.209 3.161 5.723 0.223 19 0 "[ . 1 . 2 ]" 1
796 1 88 GLN HG2 1 89 PHE H 5.500 . 5.500 4.137 1.982 5.242 . 0 0 "[ . 1 . 2 ]" 1
797 1 61 PHE H 1 62 ALA H 3.970 . 3.970 2.739 2.686 2.785 . 0 0 "[ . 1 . 2 ]" 1
798 1 60 ASP HB2 1 61 PHE H 5.080 . 5.080 2.983 2.741 3.945 . 0 0 "[ . 1 . 2 ]" 1
799 1 97 GLU HG2 1 98 LEU H 5.500 . 5.500 4.541 4.311 5.060 . 0 0 "[ . 1 . 2 ]" 1
800 1 60 ASP HB3 1 61 PHE H 4.820 . 4.820 3.509 2.671 3.733 . 0 0 "[ . 1 . 2 ]" 1
801 1 88 GLN HB2 1 89 PHE H 5.380 . 5.380 2.688 1.959 3.959 . 0 0 "[ . 1 . 2 ]" 1
802 1 35 GLN HB2 1 36 ARG H 5.260 . 5.260 3.057 2.125 3.862 . 0 0 "[ . 1 . 2 ]" 1
803 1 97 GLU HB3 1 98 LEU H 5.000 . 5.000 3.254 2.960 3.396 . 0 0 "[ . 1 . 2 ]" 1
804 1 28 GLU H 1 29 ILE H . . 5.380 4.525 4.249 4.712 . 0 0 "[ . 1 . 2 ]" 1
805 1 35 GLN HG2 1 36 ARG H 5.260 . 5.260 4.637 3.807 5.043 . 0 0 "[ . 1 . 2 ]" 1
806 1 17 TRP HZ3 1 18 THR H 5.500 . 5.500 5.528 5.205 5.665 0.165 13 0 "[ . 1 . 2 ]" 1
807 1 28 GLU H 1 29 ILE HG13 5.330 . 5.330 4.744 4.506 5.222 . 0 0 "[ . 1 . 2 ]" 1
808 1 18 THR H 1 19 ILE HB 5.320 . 5.320 4.830 4.445 5.477 0.157 11 0 "[ . 1 . 2 ]" 1
809 1 17 TRP HB3 1 18 THR H 4.820 . 4.820 3.460 3.218 3.908 . 0 0 "[ . 1 . 2 ]" 1
810 1 17 TRP HB2 1 18 THR H 4.880 . 4.880 2.188 1.906 2.690 . 0 0 "[ . 1 . 2 ]" 1
811 1 68 ILE HG13 1 69 LEU H 5.500 . 5.500 4.533 4.109 5.257 . 0 0 "[ . 1 . 2 ]" 1
812 1 68 ILE H 1 69 LEU H 4.540 . 4.540 2.509 2.391 2.729 . 0 0 "[ . 1 . 2 ]" 1
813 1 103 ASP H 1 104 THR HB 5.190 . 5.190 5.171 4.971 5.317 0.127 21 0 "[ . 1 . 2 ]" 1
814 1 102 ARG HG3 1 103 ASP H 4.390 . 4.390 4.390 3.629 4.610 0.220 11 0 "[ . 1 . 2 ]" 1
815 1 102 ARG HB2 1 103 ASP H 4.750 . 4.750 2.578 2.057 2.765 . 0 0 "[ . 1 . 2 ]" 1
816 1 103 ASP H 1 104 THR H 4.240 . 4.240 4.038 2.785 4.355 0.115 14 0 "[ . 1 . 2 ]" 1
817 1 102 ARG HD2 1 103 ASP H 5.500 . 5.500 4.757 4.336 5.588 0.088 8 0 "[ . 1 . 2 ]" 1
818 1 102 ARG HB3 1 103 ASP H 5.200 . 5.200 2.340 1.938 3.834 . 0 0 "[ . 1 . 2 ]" 1
819 1 40 LYS H 1 41 LEU H 5.500 . 5.500 4.557 4.493 4.590 . 0 0 "[ . 1 . 2 ]" 1
820 1 39 GLY H 1 40 LYS H 5.470 . 5.470 4.395 4.267 4.726 . 0 0 "[ . 1 . 2 ]" 1
821 1 77 VAL HB 1 78 SER H 4.460 . 4.460 3.618 2.632 4.358 . 0 0 "[ . 1 . 2 ]" 1
822 1 78 SER H 1 79 LYS HG3 5.410 . 5.410 4.862 4.400 5.430 0.020 14 0 "[ . 1 . 2 ]" 1
823 1 45 ASN HB3 1 46 PHE H 5.500 . 5.500 3.801 3.401 4.283 . 0 0 "[ . 1 . 2 ]" 1
824 1 79 LYS HD3 1 80 ALA H 5.500 . 5.500 5.598 4.684 5.838 0.338 11 0 "[ . 1 . 2 ]" 1
825 1 79 LYS HB2 1 80 ALA H 5.500 . 5.500 4.310 4.152 4.403 . 0 0 "[ . 1 . 2 ]" 1
826 1 79 LYS HB3 1 80 ALA H 5.500 . 5.500 4.097 3.507 4.544 . 0 0 "[ . 1 . 2 ]" 1
827 1 79 LYS HG2 1 80 ALA H 5.030 . 5.030 4.586 4.449 4.819 . 0 0 "[ . 1 . 2 ]" 1
828 1 79 LYS H 1 80 ALA H 5.310 . 5.310 3.308 2.706 4.056 . 0 0 "[ . 1 . 2 ]" 1
829 1 75 TYR HB2 1 76 TYR H 4.760 . 4.760 2.175 2.034 2.342 . 0 0 "[ . 1 . 2 ]" 1
830 1 66 ASN H 1 67 GLU HG3 6.500 . 6.500 6.768 6.711 6.845 0.345 2 0 "[ . 1 . 2 ]" 1
831 1 65 PHE QE 1 66 ASN H 5.500 . 5.500 3.960 3.903 4.014 . 0 0 "[ . 1 . 2 ]" 1
832 1 57 ALA H 1 58 PHE H . . 4.560 4.530 4.473 4.619 0.059 8 0 "[ . 1 . 2 ]" 1
833 1 65 PHE HB3 1 66 ASN H 5.500 . 5.500 2.893 2.782 2.951 . 0 0 "[ . 1 . 2 ]" 1
834 1 65 PHE HZ 1 66 ASN H 5.500 . 5.500 5.649 5.572 5.782 0.282 1 0 "[ . 1 . 2 ]" 1
835 1 65 PHE H 1 66 ASN H 5.220 . 5.220 2.465 2.365 2.508 . 0 0 "[ . 1 . 2 ]" 1
836 1 66 ASN H 1 67 GLU HB3 4.920 . 4.920 4.835 4.783 4.927 0.007 2 0 "[ . 1 . 2 ]" 1
837 1 65 PHE HB2 1 66 ASN H 5.500 . 5.500 4.073 4.029 4.092 . 0 0 "[ . 1 . 2 ]" 1
838 1 52 GLU H 1 53 ILE H 5.500 . 5.500 4.492 4.416 4.526 . 0 0 "[ . 1 . 2 ]" 1
839 1 52 GLU H 1 53 ILE MG 4.850 . 4.850 4.725 4.700 4.784 . 0 0 "[ . 1 . 2 ]" 1
840 1 9 GLN HB2 1 10 LEU H 3.490 . 3.490 3.299 2.749 3.631 0.141 18 0 "[ . 1 . 2 ]" 1
841 1 9 GLN HB3 1 10 LEU H 5.500 . 5.500 4.037 1.911 4.346 . 0 0 "[ . 1 . 2 ]" 1
842 1 7 ILE H 1 8 GLU H 5.500 . 5.500 2.809 2.707 2.902 . 0 0 "[ . 1 . 2 ]" 1
843 1 8 GLU H 1 9 GLN HA 5.500 . 5.500 5.264 5.066 5.358 . 0 0 "[ . 1 . 2 ]" 1
844 1 63 THR HB 1 64 LYS H 4.300 . 4.300 2.505 2.400 2.589 . 0 0 "[ . 1 . 2 ]" 1
845 1 80 ALA H 1 81 LYS H 5.500 . 5.500 4.423 4.338 4.543 . 0 0 "[ . 1 . 2 ]" 1
846 1 38 ASP H 1 39 GLY H 5.500 . 5.500 4.194 2.200 4.643 . 0 0 "[ . 1 . 2 ]" 1
847 1 37 GLY H 1 38 ASP H 4.390 . 4.390 4.382 4.115 4.493 0.103 2 0 "[ . 1 . 2 ]" 1
848 1 15 ASN HB2 1 16 VAL H 5.350 . 5.350 3.150 1.974 4.595 . 0 0 "[ . 1 . 2 ]" 1
849 1 73 LYS HA 1 74 VAL H 2.810 . 2.810 2.499 2.397 2.603 . 0 0 "[ . 1 . 2 ]" 1
850 1 73 LYS HD3 1 74 VAL H 4.090 . 4.090 4.199 4.102 4.273 0.183 13 0 "[ . 1 . 2 ]" 1
851 1 73 LYS HG2 1 74 VAL H 4.540 . 4.540 2.319 2.238 2.438 . 0 0 "[ . 1 . 2 ]" 1
852 1 17 TRP H 1 18 THR H 5.500 . 5.500 4.383 4.318 4.445 . 0 0 "[ . 1 . 2 ]" 1
853 1 16 VAL H 1 17 TRP H 5.500 . 5.500 4.169 2.920 4.464 . 0 0 "[ . 1 . 2 ]" 1
854 1 74 VAL H 1 75 TYR HD1 5.500 . 5.500 4.953 4.755 5.225 . 0 0 "[ . 1 . 2 ]" 1
855 1 16 VAL HB 1 17 TRP H 4.670 . 4.670 3.906 2.806 4.656 . 0 0 "[ . 1 . 2 ]" 1
856 1 73 LYS H 1 74 VAL H 5.390 . 5.390 4.446 4.404 4.483 . 0 0 "[ . 1 . 2 ]" 1
857 1 69 LEU H 1 70 GLN H 5.500 . 5.500 4.643 4.595 4.678 . 0 0 "[ . 1 . 2 ]" 1
858 1 73 LYS HB2 1 74 VAL H 4.600 . 4.600 2.869 2.619 3.074 . 0 0 "[ . 1 . 2 ]" 1
859 1 69 LEU HG 1 70 GLN H 5.190 . 5.190 3.179 2.228 5.096 . 0 0 "[ . 1 . 2 ]" 1
860 1 70 GLN H 1 71 GLU HG3 4.880 . 4.880 5.138 5.092 5.177 0.297 1 0 "[ . 1 . 2 ]" 1
861 1 69 LEU HB2 1 70 GLN H 4.180 . 4.180 4.238 3.880 4.341 0.161 22 0 "[ . 1 . 2 ]" 1
862 1 83 GLN H 1 84 PRO HD2 5.500 . 5.500 4.804 4.277 5.112 . 0 0 "[ . 1 . 2 ]" 1
863 1 82 LEU H 1 83 GLN H 5.500 . 5.500 4.505 4.435 4.571 . 0 0 "[ . 1 . 2 ]" 1
864 1 82 LEU HG 1 83 GLN H 5.280 . 5.280 4.369 2.252 4.726 . 0 0 "[ . 1 . 2 ]" 1
865 1 82 LEU HB2 1 83 GLN H 4.620 . 4.620 4.394 4.152 4.591 . 0 0 "[ . 1 . 2 ]" 1
866 1 83 GLN H 1 84 PRO HD3 5.500 . 5.500 4.345 3.604 4.750 . 0 0 "[ . 1 . 2 ]" 1
867 1 72 GLY H 1 73 LYS H 5.230 . 5.230 2.674 2.258 2.821 . 0 0 "[ . 1 . 2 ]" 1
868 1 58 PHE HB3 1 59 ASN H 4.970 . 4.970 1.886 1.767 1.945 . 0 0 "[ . 1 . 2 ]" 1
869 1 58 PHE HD2 1 59 ASN H 5.170 . 5.170 3.563 3.223 4.125 . 0 0 "[ . 1 . 2 ]" 1
870 1 58 PHE HB2 1 59 ASN H 5.040 . 5.040 3.402 3.249 3.473 . 0 0 "[ . 1 . 2 ]" 1
871 1 86 LYS H 1 87 PRO HA 5.500 . 5.500 5.347 4.373 5.630 0.130 18 0 "[ . 1 . 2 ]" 1
872 1 58 PHE H 1 59 ASN H 5.500 . 5.500 4.405 4.307 4.509 . 0 0 "[ . 1 . 2 ]" 1
873 1 111 ASP HA 1 112 GLU H 3.320 . 3.320 2.604 2.209 3.549 0.229 8 0 "[ . 1 . 2 ]" 1
874 1 86 LYS H 1 87 PRO HD2 5.500 . 5.500 4.744 3.943 5.035 . 0 0 "[ . 1 . 2 ]" 1
875 1 86 LYS H 1 87 PRO HD3 5.500 . 5.500 4.534 2.918 5.055 . 0 0 "[ . 1 . 2 ]" 1
876 1 111 ASP HB3 1 112 GLU H 5.500 . 5.500 3.838 2.642 4.470 . 0 0 "[ . 1 . 2 ]" 1
877 1 111 ASP HB2 1 112 GLU H 5.500 . 5.500 3.971 2.450 4.596 . 0 0 "[ . 1 . 2 ]" 1
878 1 110 PHE HB3 1 111 ASP H 5.500 . 5.500 3.283 1.990 4.461 . 0 0 "[ . 1 . 2 ]" 1
879 1 110 PHE HB2 1 111 ASP H 5.500 . 5.500 3.941 2.869 4.641 . 0 0 "[ . 1 . 2 ]" 1
880 1 40 LYS HB3 1 41 LEU H 3.650 . 3.650 3.752 3.631 3.984 0.334 6 0 "[ . 1 . 2 ]" 1
881 1 99 ASN H 1 100 LEU H 4.680 . 4.680 4.352 4.151 4.480 . 0 0 "[ . 1 . 2 ]" 1
882 1 41 LEU H 1 42 PHE H 5.500 . 5.500 4.335 4.247 4.419 . 0 0 "[ . 1 . 2 ]" 1
883 1 98 LEU H 1 99 ASN H 5.500 . 5.500 4.408 4.282 4.480 . 0 0 "[ . 1 . 2 ]" 1
884 1 96 TYR H 1 97 GLU HG2 4.970 . 4.970 4.890 4.622 5.042 0.072 22 0 "[ . 1 . 2 ]" 1
885 1 41 LEU HB3 1 42 PHE H 4.760 . 4.760 3.898 3.326 4.251 . 0 0 "[ . 1 . 2 ]" 1
886 1 42 PHE H 1 43 ASN H 5.500 . 5.500 4.494 4.417 4.567 . 0 0 "[ . 1 . 2 ]" 1
887 1 95 PRO HD3 1 96 TYR H 5.500 . 5.500 5.486 3.949 5.640 0.140 17 0 "[ . 1 . 2 ]" 1
888 1 28 GLU HB3 1 29 ILE H 4.500 . 4.500 3.762 2.002 4.081 . 0 0 "[ . 1 . 2 ]" 1
889 1 28 GLU HG3 1 29 ILE H 4.690 . 4.690 2.315 2.068 2.973 . 0 0 "[ . 1 . 2 ]" 1
890 1 24 SER HB2 1 25 TYR H 5.500 . 5.500 3.366 2.642 4.037 . 0 0 "[ . 1 . 2 ]" 1
891 1 28 GLU HB2 1 29 ILE H 4.610 . 4.610 2.622 1.992 3.480 . 0 0 "[ . 1 . 2 ]" 1
892 1 31 THR HB 1 32 TRP H 4.160 . 4.160 2.678 2.599 3.109 . 0 0 "[ . 1 . 2 ]" 1
893 1 24 SER HB3 1 25 TYR H 5.410 . 5.410 2.763 2.042 4.047 . 0 0 "[ . 1 . 2 ]" 1
894 1 3 PRO HB2 1 4 ILE H 4.540 . 4.540 2.399 2.083 2.822 . 0 0 "[ . 1 . 2 ]" 1
895 1 4 ILE H 1 5 PHE H 5.160 . 5.160 4.549 4.318 4.626 . 0 0 "[ . 1 . 2 ]" 1
896 1 31 THR H 1 32 TRP H 5.200 . 5.200 4.592 4.508 4.654 . 0 0 "[ . 1 . 2 ]" 1
897 1 75 TYR H 1 76 TYR HB3 5.500 . 5.500 5.445 5.020 5.642 0.142 6 0 "[ . 1 . 2 ]" 1
898 1 74 VAL HB 1 75 TYR H 4.400 . 4.400 3.446 2.963 4.124 . 0 0 "[ . 1 . 2 ]" 1
899 1 70 GLN HB3 1 71 GLU H 3.980 . 3.980 2.240 2.156 2.305 . 0 0 "[ . 1 . 2 ]" 1
900 1 70 GLN HG3 1 71 GLU H 5.500 . 5.500 2.979 2.915 3.170 . 0 0 "[ . 1 . 2 ]" 1
901 1 42 PHE HB2 1 43 ASN H 5.500 . 5.500 3.547 3.122 4.062 . 0 0 "[ . 1 . 2 ]" 1
902 1 70 GLN H 1 71 GLU H 4.240 . 4.240 4.291 4.272 4.315 0.075 12 0 "[ . 1 . 2 ]" 1
903 1 76 TYR QD 1 77 VAL H 4.850 . 4.850 3.019 2.099 3.456 . 0 0 "[ . 1 . 2 ]" 1
904 1 76 TYR HB2 1 77 VAL H 4.770 . 4.770 3.482 3.050 3.895 . 0 0 "[ . 1 . 2 ]" 1
905 1 46 PHE HB3 1 47 LEU H 5.500 . 5.500 3.099 2.628 3.374 . 0 0 "[ . 1 . 2 ]" 1
906 1 46 PHE HD1 1 47 LEU H 5.380 . 5.380 4.145 3.315 5.828 0.448 17 0 "[ . 1 . 2 ]" 1
907 1 47 LEU H 1 48 ASP H 5.420 . 5.420 4.522 4.487 4.556 . 0 0 "[ . 1 . 2 ]" 1
908 1 47 LEU H 1 48 ASP HA 5.500 . 5.500 5.117 5.036 5.183 . 0 0 "[ . 1 . 2 ]" 1
909 1 46 PHE HB2 1 47 LEU H 5.500 . 5.500 4.076 3.634 4.371 . 0 0 "[ . 1 . 2 ]" 1
910 1 52 GLU HB2 1 53 ILE H 4.860 . 4.860 4.169 4.037 4.320 . 0 0 "[ . 1 . 2 ]" 1
911 1 52 GLU HG3 1 53 ILE H 5.500 . 5.500 4.416 3.092 5.159 . 0 0 "[ . 1 . 2 ]" 1
912 1 99 ASN HB3 1 100 LEU H 5.500 . 5.500 4.283 4.161 4.573 . 0 0 "[ . 1 . 2 ]" 1
913 1 108 GLU H 1 109 CYS H 5.110 . 5.110 4.666 4.617 4.710 . 0 0 "[ . 1 . 2 ]" 1
914 1 6 ALA H 1 7 ILE H 5.500 . 5.500 4.689 4.634 4.707 . 0 0 "[ . 1 . 2 ]" 1
915 1 108 GLU HB2 1 109 CYS H 4.860 . 4.860 3.490 3.061 4.107 . 0 0 "[ . 1 . 2 ]" 1
916 1 99 ASN HB2 1 100 LEU H 4.950 . 4.950 4.472 4.184 4.607 . 0 0 "[ . 1 . 2 ]" 1
917 1 5 PHE HB3 1 6 ALA H 4.340 . 4.340 2.708 2.613 3.100 . 0 0 "[ . 1 . 2 ]" 1
918 1 5 PHE HD1 1 6 ALA H 5.340 . 5.340 3.297 2.275 4.090 . 0 0 "[ . 1 . 2 ]" 1
919 1 22 ARG HG2 1 23 VAL H 2.950 . 2.950 2.532 1.978 3.218 0.268 20 0 "[ . 1 . 2 ]" 1
920 1 62 ALA H 1 63 THR H 4.820 . 4.820 2.551 2.465 2.656 . 0 0 "[ . 1 . 2 ]" 1
921 1 81 LYS H 1 82 LEU H 5.500 . 5.500 4.573 4.496 4.646 . 0 0 "[ . 1 . 2 ]" 1
922 1 81 LYS HD3 1 82 LEU H 4.480 . 4.480 3.929 3.791 4.006 . 0 0 "[ . 1 . 2 ]" 1
923 1 81 LYS HB3 1 82 LEU H 4.200 . 4.200 3.408 3.181 3.568 . 0 0 "[ . 1 . 2 ]" 1
924 1 84 PRO HB2 1 85 ALA H 4.270 . 4.270 3.329 3.029 3.898 . 0 0 "[ . 1 . 2 ]" 1
925 1 84 PRO HD2 1 85 ALA H 5.500 . 5.500 5.527 5.355 5.608 0.108 14 0 "[ . 1 . 2 ]" 1
926 1 56 THR HB 1 57 ALA H 5.450 . 5.450 3.680 2.883 4.261 . 0 0 "[ . 1 . 2 ]" 1
927 1 24 SER H 1 25 TYR H 4.860 . 4.860 2.190 1.983 2.463 . 0 0 "[ . 1 . 2 ]" 1
928 1 23 VAL HB 1 24 SER H 4.670 . 4.670 4.355 4.246 4.439 . 0 0 "[ . 1 . 2 ]" 1
929 1 54 ARG HD2 1 55 ALA H 5.500 . 5.500 5.271 4.945 5.596 0.096 5 0 "[ . 1 . 2 ]" 1
930 1 107 GLU H 1 108 GLU H 5.500 . 5.500 4.180 3.776 4.379 . 0 0 "[ . 1 . 2 ]" 1
931 1 54 ARG HG2 1 55 ALA H 5.160 . 5.160 2.866 2.550 4.256 . 0 0 "[ . 1 . 2 ]" 1
932 1 54 ARG HD3 1 55 ALA H 5.500 . 5.500 5.183 4.947 5.513 0.013 6 0 "[ . 1 . 2 ]" 1
933 1 107 GLU HB2 1 108 GLU H 5.290 . 5.290 4.308 4.099 4.536 . 0 0 "[ . 1 . 2 ]" 1
934 1 54 ARG HB3 1 55 ALA H 5.500 . 5.500 4.064 3.066 4.235 . 0 0 "[ . 1 . 2 ]" 1
935 1 101 ASP H 1 102 ARG HG2 5.460 . 5.460 5.327 5.188 5.548 0.088 3 0 "[ . 1 . 2 ]" 1
936 1 107 GLU HG2 1 108 GLU H 5.160 . 5.160 3.163 2.545 3.888 . 0 0 "[ . 1 . 2 ]" 1
937 1 100 LEU HB3 1 101 ASP H 5.010 . 5.010 4.047 3.893 4.195 . 0 0 "[ . 1 . 2 ]" 1
938 1 20 LYS HB2 1 21 ALA H 4.570 . 4.570 4.248 4.184 4.290 . 0 0 "[ . 1 . 2 ]" 1
939 1 20 LYS HD3 1 21 ALA H 4.510 . 4.510 4.597 4.518 4.664 0.154 8 0 "[ . 1 . 2 ]" 1
940 1 93 THR H 1 94 HIS H 5.500 . 5.500 4.534 3.862 4.649 . 0 0 "[ . 1 . 2 ]" 1
941 1 20 LYS HB3 1 21 ALA H 4.790 . 4.790 3.878 3.829 4.020 . 0 0 "[ . 1 . 2 ]" 1
942 1 100 LEU HG 1 101 ASP H 5.030 . 5.030 3.753 2.768 4.731 . 0 0 "[ . 1 . 2 ]" 1
943 1 94 HIS H 1 95 PRO HD2 5.250 . 5.250 3.011 2.782 4.326 . 0 0 "[ . 1 . 2 ]" 1
944 1 106 ILE H 1 107 GLU HB3 5.340 . 5.340 5.534 5.380 5.641 0.301 21 0 "[ . 1 . 2 ]" 1
945 1 106 ILE H 1 107 GLU H 5.400 . 5.400 4.398 4.286 4.439 . 0 0 "[ . 1 . 2 ]" 1
946 1 4 ILE HG12 1 5 PHE H 4.880 . 4.880 4.403 3.628 5.268 0.388 11 0 "[ . 1 . 2 ]" 1
947 1 104 THR H 1 105 VAL H 5.500 . 5.500 4.546 4.386 4.671 . 0 0 "[ . 1 . 2 ]" 1
948 1 5 PHE H 1 6 ALA H 5.460 . 5.460 4.516 4.505 4.543 . 0 0 "[ . 1 . 2 ]" 1
949 1 4 ILE HB 1 5 PHE H 4.450 . 4.450 4.355 4.250 4.508 0.058 2 0 "[ . 1 . 2 ]" 1
950 1 31 THR HB 1 32 TRP HE1 5.500 . 5.500 5.630 5.552 5.799 0.299 11 0 "[ . 1 . 2 ]" 1
951 1 53 ILE HG13 1 54 ARG H 4.700 . 4.700 2.010 1.964 2.299 . 0 0 "[ . 1 . 2 ]" 1
952 1 53 ILE MG 1 54 ARG H 4.790 . 4.790 3.832 3.758 3.945 . 0 0 "[ . 1 . 2 ]" 1
953 1 53 ILE HB 1 54 ARG H 4.940 . 4.940 3.765 3.711 3.887 . 0 0 "[ . 1 . 2 ]" 1
954 1 47 LEU HB3 1 48 ASP H 3.710 . 3.710 3.890 3.784 3.943 0.233 13 0 "[ . 1 . 2 ]" 1
955 1 47 LEU HG 1 48 ASP H 5.200 . 5.200 2.599 2.312 4.445 . 0 0 "[ . 1 . 2 ]" 1
956 1 25 TYR HB2 1 26 LYS H 5.500 . 5.500 4.182 4.069 4.362 . 0 0 "[ . 1 . 2 ]" 1
957 1 47 LEU HB2 1 48 ASP H 4.340 . 4.340 4.259 4.175 4.431 0.091 16 0 "[ . 1 . 2 ]" 1
958 1 25 TYR QE 1 26 LYS H 5.500 . 5.500 4.091 3.766 4.562 . 0 0 "[ . 1 . 2 ]" 1
959 1 25 TYR H 1 26 LYS H 5.500 . 5.500 4.427 4.287 4.484 . 0 0 "[ . 1 . 2 ]" 1
960 1 25 TYR QD 1 26 LYS H 4.620 . 4.620 3.284 2.942 3.670 . 0 0 "[ . 1 . 2 ]" 1
961 1 25 TYR HB3 1 26 LYS H 4.990 . 4.990 3.993 3.780 4.237 . 0 0 "[ . 1 . 2 ]" 1
962 1 26 LYS H 1 27 GLY H 5.070 . 5.070 4.553 4.492 4.597 . 0 0 "[ . 1 . 2 ]" 1
963 1 29 ILE H 1 30 LYS H 5.500 . 5.500 4.306 4.059 4.484 . 0 0 "[ . 1 . 2 ]" 1
964 1 30 LYS H 1 31 THR H 5.500 . 5.500 4.483 4.414 4.535 . 0 0 "[ . 1 . 2 ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 76
_Distance_constraint_stats_list.Viol_count 354
_Distance_constraint_stats_list.Viol_total 755.418
_Distance_constraint_stats_list.Viol_max 0.482
_Distance_constraint_stats_list.Viol_rms 0.0589
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0205
_Distance_constraint_stats_list.Viol_average_violations_only 0.0970
_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 19 ILE 0.823 0.165 18 0 "[ . 1 . 2 ]"
1 21 ALA 0.142 0.067 6 0 "[ . 1 . 2 ]"
1 22 ARG 0.529 0.077 11 0 "[ . 1 . 2 ]"
1 23 VAL 4.640 0.301 7 0 "[ . 1 . 2 ]"
1 24 SER 0.107 0.107 13 0 "[ . 1 . 2 ]"
1 25 TYR 0.006 0.006 18 0 "[ . 1 . 2 ]"
1 27 GLY 0.572 0.192 5 0 "[ . 1 . 2 ]"
1 30 LYS 0.128 0.062 4 0 "[ . 1 . 2 ]"
1 32 TRP 0.497 0.158 8 0 "[ . 1 . 2 ]"
1 34 ASN 2.552 0.370 11 0 "[ . 1 . 2 ]"
1 37 GLY 2.552 0.370 11 0 "[ . 1 . 2 ]"
1 39 GLY 0.497 0.158 8 0 "[ . 1 . 2 ]"
1 40 LYS 7.857 0.482 19 0 "[ . 1 . 2 ]"
1 41 LEU 0.128 0.062 4 0 "[ . 1 . 2 ]"
1 42 PHE 0.110 0.044 3 0 "[ . 1 . 2 ]"
1 43 ASN 0.572 0.192 5 0 "[ . 1 . 2 ]"
1 44 VAL 0.019 0.010 13 0 "[ . 1 . 2 ]"
1 45 ASN 0.113 0.107 13 0 "[ . 1 . 2 ]"
1 46 PHE 0.022 0.022 1 0 "[ . 1 . 2 ]"
1 47 LEU 0.529 0.077 11 0 "[ . 1 . 2 ]"
1 48 ASP 0.090 0.066 1 0 "[ . 1 . 2 ]"
1 51 GLY 0.090 0.066 1 0 "[ . 1 . 2 ]"
1 53 ILE 0.022 0.022 1 0 "[ . 1 . 2 ]"
1 55 ALA 0.019 0.010 13 0 "[ . 1 . 2 ]"
1 56 THR 0.578 0.140 9 0 "[ . 1 . 2 ]"
1 57 ALA 0.110 0.044 3 0 "[ . 1 . 2 ]"
1 58 PHE 1.407 0.166 6 0 "[ . 1 . 2 ]"
1 59 ASN 7.857 0.482 19 0 "[ . 1 . 2 ]"
1 60 ASP 1.295 0.204 5 0 "[ . 1 . 2 ]"
1 61 PHE 1.133 0.105 22 0 "[ . 1 . 2 ]"
1 62 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 63 THR 2.719 0.221 5 0 "[ . 1 . 2 ]"
1 64 LYS 1.295 0.204 5 0 "[ . 1 . 2 ]"
1 65 PHE 1.133 0.105 22 0 "[ . 1 . 2 ]"
1 66 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 67 GLU 2.719 0.221 5 0 "[ . 1 . 2 ]"
1 73 LYS 4.640 0.301 7 0 "[ . 1 . 2 ]"
1 74 VAL 1.149 0.323 18 0 "[ . 1 . 2 ]"
1 75 TYR 0.142 0.067 6 0 "[ . 1 . 2 ]"
1 76 TYR 4.756 0.223 21 0 "[ . 1 . 2 ]"
1 77 VAL 0.823 0.165 18 0 "[ . 1 . 2 ]"
1 78 SER 0.641 0.121 13 0 "[ . 1 . 2 ]"
1 81 LYS 1.691 0.174 19 0 "[ . 1 . 2 ]"
1 83 GLN 0.360 0.077 5 0 "[ . 1 . 2 ]"
1 85 ALA 0.514 0.112 14 0 "[ . 1 . 2 ]"
1 95 PRO 0.514 0.112 14 0 "[ . 1 . 2 ]"
1 97 GLU 0.360 0.077 5 0 "[ . 1 . 2 ]"
1 98 LEU 0.391 0.137 18 0 "[ . 1 . 2 ]"
1 99 ASN 1.691 0.174 19 0 "[ . 1 . 2 ]"
1 100 LEU 1.594 0.166 6 0 "[ . 1 . 2 ]"
1 105 VAL 0.641 0.121 13 0 "[ . 1 . 2 ]"
1 107 GLU 4.756 0.223 21 0 "[ . 1 . 2 ]"
1 109 CYS 1.149 0.323 18 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 48 ASP H 1 51 GLY O 1.900 . 2.200 2.081 1.856 2.266 0.066 1 0 "[ . 1 . 2 ]" 2
2 1 46 PHE O 1 53 ILE H 1.900 . 2.200 1.957 1.779 2.222 0.022 1 0 "[ . 1 . 2 ]" 2
3 1 46 PHE H 1 53 ILE O 1.900 . 2.200 1.794 1.685 2.149 . 0 0 "[ . 1 . 2 ]" 2
4 1 44 VAL O 1 55 ALA H 1.900 . 2.200 1.988 1.787 2.210 0.010 13 0 "[ . 1 . 2 ]" 2
5 1 44 VAL H 1 55 ALA O 1.900 . 2.200 1.827 1.625 2.005 . 0 0 "[ . 1 . 2 ]" 2
6 1 42 PHE O 1 57 ALA H 1.900 . 2.200 1.898 1.666 2.236 0.036 12 0 "[ . 1 . 2 ]" 2
7 1 42 PHE H 1 57 ALA O 1.900 . 2.200 1.917 1.606 2.244 0.044 3 0 "[ . 1 . 2 ]" 2
8 1 40 LYS O 1 59 ASN H 1.900 . 2.200 2.551 2.471 2.682 0.482 19 0 "[ . 1 . 2 ]" 2
9 1 22 ARG H 1 47 LEU O 1.900 . 2.200 2.147 1.817 2.277 0.077 11 0 "[ . 1 . 2 ]" 2
10 1 22 ARG O 1 47 LEU H 1.900 . 2.200 1.871 1.632 2.190 . 0 0 "[ . 1 . 2 ]" 2
11 1 24 SER H 1 45 ASN O 1.900 . 2.200 1.909 1.726 2.307 0.107 13 0 "[ . 1 . 2 ]" 2
12 1 25 TYR O 1 45 ASN H 1.900 . 2.200 1.925 1.690 2.206 0.006 18 0 "[ . 1 . 2 ]" 2
13 1 27 GLY H 1 43 ASN O 1.900 . 2.200 2.126 1.876 2.392 0.192 5 0 "[ . 1 . 2 ]" 2
14 1 34 ASN H 1 37 GLY O 1.900 . 2.200 2.292 1.966 2.570 0.370 11 0 "[ . 1 . 2 ]" 2
15 1 32 TRP H 1 39 GLY O 1.900 . 2.200 2.150 1.884 2.358 0.158 8 0 "[ . 1 . 2 ]" 2
16 1 30 LYS O 1 41 LEU H 1.900 . 2.200 1.688 1.547 1.937 . 0 0 "[ . 1 . 2 ]" 2
17 1 30 LYS H 1 41 LEU O 1.900 . 2.200 1.764 1.596 2.020 . 0 0 "[ . 1 . 2 ]" 2
18 1 23 VAL H 1 73 LYS O 1.900 . 2.200 2.401 2.308 2.501 0.301 7 0 "[ . 1 . 2 ]" 2
19 1 21 ALA O 1 75 TYR H 1.900 . 2.200 1.909 1.609 2.200 0.000 6 0 "[ . 1 . 2 ]" 2
20 1 21 ALA H 1 75 TYR O 1.900 . 2.200 1.954 1.600 2.267 0.067 6 0 "[ . 1 . 2 ]" 2
21 1 19 ILE O 1 77 VAL H 1.900 . 2.200 1.961 1.704 2.231 0.031 6 0 "[ . 1 . 2 ]" 2
22 1 19 ILE H 1 77 VAL O 1.900 . 2.200 2.095 1.715 2.365 0.165 18 0 "[ . 1 . 2 ]" 2
23 1 78 SER O 1 105 VAL H 1.900 . 2.200 2.101 1.782 2.321 0.121 13 0 "[ . 1 . 2 ]" 2
24 1 78 SER H 1 105 VAL O 1.900 . 2.200 2.020 1.694 2.237 0.037 9 0 "[ . 1 . 2 ]" 2
25 1 76 TYR O 1 107 GLU H 1.900 . 2.200 2.284 2.176 2.367 0.167 19 0 "[ . 1 . 2 ]" 2
26 1 76 TYR H 1 107 GLU O 1.900 . 2.200 2.314 2.218 2.423 0.223 21 0 "[ . 1 . 2 ]" 2
27 1 74 VAL O 1 109 CYS H 1.900 . 2.200 2.200 1.702 2.523 0.323 18 0 "[ . 1 . 2 ]" 2
28 1 58 PHE H 1 100 LEU O 1.900 . 2.200 2.233 1.998 2.366 0.166 6 0 "[ . 1 . 2 ]" 2
29 1 56 THR O 1 100 LEU H 1.900 . 2.200 1.973 1.710 2.340 0.140 9 0 "[ . 1 . 2 ]" 2
30 1 56 THR H 1 98 LEU O 1.900 . 2.200 2.021 1.678 2.337 0.137 18 0 "[ . 1 . 2 ]" 2
31 1 85 ALA H 1 95 PRO O 1.900 . 2.200 2.160 1.688 2.312 0.112 14 0 "[ . 1 . 2 ]" 2
32 1 83 GLN O 1 97 GLU H 1.900 . 2.200 1.929 1.637 2.259 0.059 5 0 "[ . 1 . 2 ]" 2
33 1 83 GLN H 1 97 GLU O 1.900 . 2.200 2.121 1.910 2.277 0.077 5 0 "[ . 1 . 2 ]" 2
34 1 81 LYS O 1 99 ASN H 1.900 . 2.200 2.256 1.912 2.374 0.174 19 0 "[ . 1 . 2 ]" 2
35 1 60 ASP O 1 64 LYS H 1.900 . 2.200 2.185 1.891 2.404 0.204 5 0 "[ . 1 . 2 ]" 2
36 1 61 PHE O 1 65 PHE H 1.900 . 2.200 2.221 2.003 2.305 0.105 22 0 "[ . 1 . 2 ]" 2
37 1 62 ALA O 1 66 ASN H 1.900 . 2.200 1.599 1.545 1.630 . 0 0 "[ . 1 . 2 ]" 2
38 1 63 THR O 1 67 GLU H 1.900 . 2.200 2.324 2.243 2.421 0.221 5 0 "[ . 1 . 2 ]" 2
39 1 48 ASP N 1 51 GLY O 3.000 2.500 3.300 2.912 2.712 3.131 . 0 0 "[ . 1 . 2 ]" 2
40 1 46 PHE O 1 53 ILE N 3.000 2.500 3.300 2.882 2.725 3.118 . 0 0 "[ . 1 . 2 ]" 2
41 1 46 PHE N 1 53 ILE O 3.000 2.500 3.300 2.637 2.565 2.915 . 0 0 "[ . 1 . 2 ]" 2
42 1 44 VAL O 1 55 ALA N 3.000 2.500 3.300 2.808 2.593 3.061 . 0 0 "[ . 1 . 2 ]" 2
43 1 44 VAL N 1 55 ALA O 3.000 2.500 3.300 2.763 2.562 2.904 . 0 0 "[ . 1 . 2 ]" 2
44 1 42 PHE O 1 57 ALA N 3.000 2.500 3.300 2.776 2.566 2.985 . 0 0 "[ . 1 . 2 ]" 2
45 1 42 PHE N 1 57 ALA O 3.000 2.500 3.300 2.854 2.563 3.203 . 0 0 "[ . 1 . 2 ]" 2
46 1 40 LYS O 1 59 ASN N 3.000 2.500 3.300 2.515 2.477 2.579 0.023 19 0 "[ . 1 . 2 ]" 2
47 1 22 ARG N 1 47 LEU O 3.000 2.500 3.300 3.076 2.788 3.242 . 0 0 "[ . 1 . 2 ]" 2
48 1 22 ARG O 1 47 LEU N 3.000 2.500 3.300 2.728 2.568 3.090 . 0 0 "[ . 1 . 2 ]" 2
49 1 24 SER N 1 45 ASN O 3.000 2.500 3.300 2.825 2.645 3.256 . 0 0 "[ . 1 . 2 ]" 2
50 1 25 TYR O 1 45 ASN N 3.000 2.500 3.300 2.857 2.568 3.176 . 0 0 "[ . 1 . 2 ]" 2
51 1 27 GLY N 1 43 ASN O 3.000 2.500 3.300 2.779 2.590 3.085 . 0 0 "[ . 1 . 2 ]" 2
52 1 34 ASN N 1 37 GLY O 3.000 2.500 3.300 3.058 2.554 3.333 0.033 11 0 "[ . 1 . 2 ]" 2
53 1 32 TRP N 1 39 GLY O 3.000 2.500 3.300 3.055 2.755 3.235 . 0 0 "[ . 1 . 2 ]" 2
54 1 30 LYS O 1 41 LEU N 3.000 2.500 3.300 2.519 2.438 2.593 0.062 4 0 "[ . 1 . 2 ]" 2
55 1 30 LYS N 1 41 LEU O 3.000 2.500 3.300 2.622 2.542 2.895 . 0 0 "[ . 1 . 2 ]" 2
56 1 23 VAL N 1 73 LYS O 3.000 2.500 3.300 3.291 3.209 3.333 0.033 7 0 "[ . 1 . 2 ]" 2
57 1 21 ALA O 1 75 TYR N 3.000 2.500 3.300 2.868 2.583 3.162 . 0 0 "[ . 1 . 2 ]" 2
58 1 21 ALA N 1 75 TYR O 3.000 2.500 3.300 2.880 2.548 3.195 . 0 0 "[ . 1 . 2 ]" 2
59 1 19 ILE O 1 77 VAL N 3.000 2.500 3.300 2.865 2.664 3.090 . 0 0 "[ . 1 . 2 ]" 2
60 1 19 ILE N 1 77 VAL O 3.000 2.500 3.300 2.997 2.656 3.259 . 0 0 "[ . 1 . 2 ]" 2
61 1 78 SER O 1 105 VAL N 3.000 2.500 3.300 3.050 2.725 3.270 . 0 0 "[ . 1 . 2 ]" 2
62 1 78 SER N 1 105 VAL O 3.000 2.500 3.300 2.877 2.605 3.149 . 0 0 "[ . 1 . 2 ]" 2
63 1 76 TYR O 1 107 GLU N 3.000 2.500 3.300 3.197 3.035 3.329 0.029 19 0 "[ . 1 . 2 ]" 2
64 1 76 TYR N 1 107 GLU O 3.000 2.500 3.300 3.261 3.159 3.384 0.084 18 0 "[ . 1 . 2 ]" 2
65 1 74 VAL O 1 109 CYS N 3.000 2.500 3.300 3.054 2.634 3.231 . 0 0 "[ . 1 . 2 ]" 2
66 1 58 PHE N 1 100 LEU O 3.000 2.500 3.300 3.048 2.736 3.315 0.015 6 0 "[ . 1 . 2 ]" 2
67 1 56 THR O 1 100 LEU N 3.000 2.500 3.300 2.819 2.592 3.163 . 0 0 "[ . 1 . 2 ]" 2
68 1 56 THR N 1 98 LEU O 3.000 2.500 3.300 2.819 2.571 3.131 . 0 0 "[ . 1 . 2 ]" 2
69 1 85 ALA N 1 95 PRO O 3.000 2.500 3.300 3.012 2.599 3.245 . 0 0 "[ . 1 . 2 ]" 2
70 1 83 GLN O 1 97 GLU N 3.000 2.500 3.300 2.742 2.582 3.015 . 0 0 "[ . 1 . 2 ]" 2
71 1 83 GLN N 1 97 GLU O 3.000 2.500 3.300 2.984 2.755 3.181 . 0 0 "[ . 1 . 2 ]" 2
72 1 81 LYS O 1 99 ASN N 3.000 2.500 3.300 3.211 2.889 3.329 0.029 18 0 "[ . 1 . 2 ]" 2
73 1 60 ASP O 1 64 LYS N 3.000 2.500 3.300 3.106 2.810 3.308 0.008 5 0 "[ . 1 . 2 ]" 2
74 1 61 PHE O 1 65 PHE N 3.000 2.500 3.300 3.020 2.835 3.105 . 0 0 "[ . 1 . 2 ]" 2
75 1 62 ALA O 1 66 ASN N 3.000 2.500 3.300 2.556 2.508 2.598 . 0 0 "[ . 1 . 2 ]" 2
76 1 63 THR O 1 67 GLU N 3.000 2.500 3.300 3.211 3.143 3.301 0.001 2 0 "[ . 1 . 2 ]" 2
stop_
save_
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