NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
629652 |
5y0u   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5y0u
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 1589
_Distance_constraint_stats_list.Viol_count 3132
_Distance_constraint_stats_list.Viol_total 2961.522
_Distance_constraint_stats_list.Viol_max 0.328
_Distance_constraint_stats_list.Viol_rms 0.0199
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0047
_Distance_constraint_stats_list.Viol_average_violations_only 0.0473
_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 8 HIS 0.579 0.117 19 0 "[ . 1 . 2]"
1 9 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ASN 0.733 0.117 19 0 "[ . 1 . 2]"
1 11 ILE 2.739 0.265 13 0 "[ . 1 . 2]"
1 12 ALA 4.755 0.265 13 0 "[ . 1 . 2]"
1 13 TYR 3.491 0.179 17 0 "[ . 1 . 2]"
1 14 ASN 1.542 0.167 4 0 "[ . 1 . 2]"
1 15 CYS 0.017 0.009 14 0 "[ . 1 . 2]"
1 16 CYS 3.103 0.253 12 0 "[ . 1 . 2]"
1 17 TRP 2.636 0.087 2 0 "[ . 1 . 2]"
1 18 ASP 8.774 0.291 1 0 "[ . 1 . 2]"
1 19 GLN 5.513 0.291 1 0 "[ . 1 . 2]"
1 20 CYS 4.520 0.208 4 0 "[ . 1 . 2]"
1 21 GLN 0.278 0.094 12 0 "[ . 1 . 2]"
1 22 ALA 4.251 0.208 4 0 "[ . 1 . 2]"
1 23 CYS 0.932 0.123 7 0 "[ . 1 . 2]"
1 24 PHE 4.828 0.136 12 0 "[ . 1 . 2]"
1 25 ASN 0.777 0.075 1 0 "[ . 1 . 2]"
1 26 SER 1.008 0.097 7 0 "[ . 1 . 2]"
1 27 SER 1.899 0.113 3 0 "[ . 1 . 2]"
1 28 PRO 3.154 0.113 3 0 "[ . 1 . 2]"
1 29 ASP 0.142 0.029 9 0 "[ . 1 . 2]"
1 30 LEU 5.114 0.133 2 0 "[ . 1 . 2]"
1 31 ALA 0.086 0.058 5 0 "[ . 1 . 2]"
1 32 ASP 3.035 0.138 5 0 "[ . 1 . 2]"
1 33 HIS 0.984 0.084 5 0 "[ . 1 . 2]"
1 34 ILE 9.592 0.210 7 0 "[ . 1 . 2]"
1 35 ARG 4.014 0.210 7 0 "[ . 1 . 2]"
1 36 SER 5.495 0.165 20 0 "[ . 1 . 2]"
1 37 ILE 3.207 0.137 18 0 "[ . 1 . 2]"
1 38 HIS 2.780 0.090 6 0 "[ . 1 . 2]"
1 39 VAL 2.136 0.117 20 0 "[ . 1 . 2]"
1 40 ASP 3.014 0.097 2 0 "[ . 1 . 2]"
1 41 GLY 1.836 0.105 10 0 "[ . 1 . 2]"
1 42 GLN 4.569 0.202 5 0 "[ . 1 . 2]"
1 43 ARG 1.319 0.095 6 0 "[ . 1 . 2]"
1 44 GLY 0.756 0.092 6 0 "[ . 1 . 2]"
1 45 GLY 0.179 0.047 3 0 "[ . 1 . 2]"
1 46 VAL 3.599 0.117 20 0 "[ . 1 . 2]"
1 47 PHE 4.364 0.184 16 0 "[ . 1 . 2]"
1 48 VAL 7.313 0.270 11 0 "[ . 1 . 2]"
1 49 CYS 0.925 0.071 8 0 "[ . 1 . 2]"
1 50 LEU 2.850 0.205 12 0 "[ . 1 . 2]"
1 51 TRP 4.220 0.168 2 0 "[ . 1 . 2]"
1 52 LYS 2.763 0.117 10 0 "[ . 1 . 2]"
1 53 GLY 0.499 0.077 3 0 "[ . 1 . 2]"
1 54 CYS 1.830 0.103 15 0 "[ . 1 . 2]"
1 55 LYS 3.055 0.167 16 0 "[ . 1 . 2]"
1 56 VAL 4.107 0.159 16 0 "[ . 1 . 2]"
1 57 TYR 8.757 0.159 16 0 "[ . 1 . 2]"
1 58 ASN 4.408 0.168 8 0 "[ . 1 . 2]"
1 59 THR 3.058 0.084 7 0 "[ . 1 . 2]"
1 60 PRO 4.207 0.270 11 0 "[ . 1 . 2]"
1 61 SER 0.784 0.078 2 0 "[ . 1 . 2]"
1 62 THR 3.182 0.126 12 0 "[ . 1 . 2]"
1 63 SER 0.586 0.078 2 0 "[ . 1 . 2]"
1 64 GLN 1.752 0.084 20 0 "[ . 1 . 2]"
1 65 SER 0.762 0.084 20 0 "[ . 1 . 2]"
1 66 TRP 2.424 0.127 14 0 "[ . 1 . 2]"
1 67 LEU 8.832 0.259 18 0 "[ . 1 . 2]"
1 68 GLN 4.639 0.225 15 0 "[ . 1 . 2]"
1 69 ARG 0.720 0.181 5 0 "[ . 1 . 2]"
1 70 HIS 0.448 0.054 12 0 "[ . 1 . 2]"
1 71 MET 2.344 0.093 12 0 "[ . 1 . 2]"
1 72 LEU 1.777 0.093 12 0 "[ . 1 . 2]"
1 73 THR 1.917 0.328 14 0 "[ . 1 . 2]"
1 74 HIS 0.484 0.062 11 0 "[ . 1 . 2]"
1 75 SER 0.262 0.058 2 0 "[ . 1 . 2]"
1 76 GLY 2.431 0.185 11 0 "[ . 1 . 2]"
1 77 ASP 1.431 0.189 8 0 "[ . 1 . 2]"
1 78 LYS 6.427 0.185 11 0 "[ . 1 . 2]"
1 79 PRO 4.098 0.189 8 0 "[ . 1 . 2]"
1 80 PHE 2.538 0.100 18 0 "[ . 1 . 2]"
1 81 LYS 3.413 0.112 11 0 "[ . 1 . 2]"
1 82 CYS 1.045 0.095 7 0 "[ . 1 . 2]"
1 83 VAL 2.752 0.131 14 0 "[ . 1 . 2]"
1 84 VAL 5.244 0.200 6 0 "[ . 1 . 2]"
1 85 GLY 0.003 0.003 11 0 "[ . 1 . 2]"
1 86 GLY 0.050 0.021 19 0 "[ . 1 . 2]"
1 87 CYS 0.245 0.051 1 0 "[ . 1 . 2]"
1 88 ASN 3.330 0.200 6 0 "[ . 1 . 2]"
1 89 ALA 2.120 0.096 19 0 "[ . 1 . 2]"
1 90 SER 6.051 0.123 3 0 "[ . 1 . 2]"
1 91 PHE 2.513 0.123 3 0 "[ . 1 . 2]"
1 92 ALA 1.424 0.098 8 0 "[ . 1 . 2]"
1 93 SER 1.594 0.110 19 0 "[ . 1 . 2]"
1 94 GLN 3.228 0.110 19 0 "[ . 1 . 2]"
1 95 GLY 0.139 0.027 13 0 "[ . 1 . 2]"
1 96 GLY 0.589 0.044 10 0 "[ . 1 . 2]"
1 97 LEU 2.407 0.090 20 0 "[ . 1 . 2]"
1 98 ALA 2.829 0.171 10 0 "[ . 1 . 2]"
1 99 ARG 2.531 0.171 10 0 "[ . 1 . 2]"
1 100 HIS 3.415 0.154 15 0 "[ . 1 . 2]"
1 101 VAL 5.003 0.120 17 0 "[ . 1 . 2]"
1 102 PRO 3.171 0.107 19 0 "[ . 1 . 2]"
1 103 THR 6.112 0.154 15 0 "[ . 1 . 2]"
1 104 HIS 1.871 0.126 4 0 "[ . 1 . 2]"
1 105 PHE 3.315 0.123 20 0 "[ . 1 . 2]"
1 106 SER 1.348 0.126 4 0 "[ . 1 . 2]"
1 107 GLN 0.413 0.115 16 0 "[ . 1 . 2]"
1 108 GLN 0.337 0.115 16 0 "[ . 1 . 2]"
1 109 ASN 0.088 0.045 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 63 SER HA 1 64 GLN H 3.120 . 3.120 2.118 2.021 2.264 . 0 0 "[ . 1 . 2]" 1
2 1 63 SER HB2 1 64 GLN H 5.060 . 5.060 4.323 3.748 4.452 . 0 0 "[ . 1 . 2]" 1
3 1 63 SER HB3 1 64 GLN H 5.060 . 5.060 4.109 3.548 4.427 . 0 0 "[ . 1 . 2]" 1
4 1 64 GLN H 1 65 SER QB 5.460 . 5.460 4.599 3.976 4.919 . 0 0 "[ . 1 . 2]" 1
5 1 64 GLN H 1 64 GLN HB3 3.410 . 3.410 2.486 2.315 2.608 . 0 0 "[ . 1 . 2]" 1
6 1 64 GLN H 1 64 GLN HB2 3.690 . 3.690 2.540 2.406 2.648 . 0 0 "[ . 1 . 2]" 1
7 1 54 CYS QB 1 55 LYS H 4.100 . 4.100 2.773 2.655 2.877 . 0 0 "[ . 1 . 2]" 1
8 1 54 CYS HA 1 55 LYS H 3.110 . 3.110 2.199 2.107 2.275 . 0 0 "[ . 1 . 2]" 1
9 1 55 LYS H 1 55 LYS QB 3.150 . 3.150 2.746 2.496 2.947 . 0 0 "[ . 1 . 2]" 1
10 1 55 LYS H 1 55 LYS QG 3.580 . 3.580 2.688 1.687 3.309 . 0 0 "[ . 1 . 2]" 1
11 1 55 LYS H 1 56 VAL MG2 4.310 . 4.310 3.145 2.944 3.431 . 0 0 "[ . 1 . 2]" 1
12 1 17 TRP HE1 1 18 ASP QB 4.800 . 4.800 4.797 4.466 4.887 0.087 2 0 "[ . 1 . 2]" 1
13 1 51 TRP QB 1 52 LYS H 4.090 . 4.090 3.734 3.371 3.909 . 0 0 "[ . 1 . 2]" 1
14 1 16 CYS HB3 1 52 LYS H 4.270 . 4.270 3.577 3.226 3.849 . 0 0 "[ . 1 . 2]" 1
15 1 17 TRP HA 1 52 LYS H 4.520 . 4.520 3.612 3.168 4.558 0.038 9 0 "[ . 1 . 2]" 1
16 1 51 TRP HA 1 52 LYS H 3.280 . 3.280 2.060 1.979 2.143 . 0 0 "[ . 1 . 2]" 1
17 1 16 CYS HB2 1 52 LYS H 4.270 . 4.270 3.279 2.728 3.864 . 0 0 "[ . 1 . 2]" 1
18 1 52 LYS H 1 52 LYS HB2 3.350 . 3.350 2.357 2.228 2.471 . 0 0 "[ . 1 . 2]" 1
19 1 52 LYS H 1 52 LYS HB3 3.530 . 3.530 3.561 3.510 3.593 0.063 19 0 "[ . 1 . 2]" 1
20 1 18 ASP H 1 19 GLN H 4.120 . 4.120 3.537 2.653 4.344 0.224 5 0 "[ . 1 . 2]" 1
21 1 17 TRP HA 1 18 ASP H 3.250 . 3.250 2.224 2.088 2.368 . 0 0 "[ . 1 . 2]" 1
22 1 18 ASP H 1 51 TRP HA 4.530 . 4.530 4.142 3.601 4.553 0.023 9 0 "[ . 1 . 2]" 1
23 1 18 ASP H 1 18 ASP QB 3.110 . 3.110 2.797 2.303 3.110 0.000 17 0 "[ . 1 . 2]" 1
24 1 18 ASP H 1 50 LEU QB 3.960 . 3.960 2.416 1.864 3.147 . 0 0 "[ . 1 . 2]" 1
25 1 18 ASP H 1 50 LEU HG 4.430 . 4.430 4.164 3.528 4.493 0.063 17 0 "[ . 1 . 2]" 1
26 1 83 VAL H 1 84 VAL H 3.190 . 3.190 2.291 2.171 2.380 . 0 0 "[ . 1 . 2]" 1
27 1 82 CYS HA 1 84 VAL H 4.190 . 4.190 3.948 3.830 4.197 0.007 9 0 "[ . 1 . 2]" 1
28 1 84 VAL H 1 87 CYS HB3 4.130 . 4.130 3.281 3.016 3.625 . 0 0 "[ . 1 . 2]" 1
29 1 83 VAL HB 1 84 VAL H 4.350 . 4.350 3.907 2.631 4.199 . 0 0 "[ . 1 . 2]" 1
30 1 84 VAL H 1 84 VAL HB 3.010 . 3.010 2.511 2.462 2.569 . 0 0 "[ . 1 . 2]" 1
31 1 84 VAL H 1 84 VAL MG2 2.920 . 2.920 2.031 1.887 2.151 . 0 0 "[ . 1 . 2]" 1
32 1 84 VAL H 1 84 VAL MG1 3.890 . 3.890 3.736 3.678 3.775 . 0 0 "[ . 1 . 2]" 1
33 1 82 CYS HB3 1 84 VAL H 3.880 . 3.880 3.478 3.317 3.696 . 0 0 "[ . 1 . 2]" 1
34 1 12 ALA H 1 13 TYR H 4.590 . 4.590 4.231 2.395 4.504 . 0 0 "[ . 1 . 2]" 1
35 1 11 ILE HA 1 12 ALA H 2.890 . 2.890 2.410 2.048 3.155 0.265 13 0 "[ . 1 . 2]" 1
36 1 11 ILE HB 1 12 ALA H 4.080 . 4.080 3.962 3.789 4.165 0.085 14 0 "[ . 1 . 2]" 1
37 1 12 ALA H 1 12 ALA MB 3.240 . 3.240 2.373 2.049 2.940 . 0 0 "[ . 1 . 2]" 1
38 1 11 ILE MG 1 12 ALA H 3.480 . 3.480 3.092 2.245 3.494 0.014 15 0 "[ . 1 . 2]" 1
39 1 17 TRP H 1 51 TRP HD1 4.040 . 4.040 3.912 3.444 4.101 0.061 15 0 "[ . 1 . 2]" 1
40 1 17 TRP H 1 20 CYS HB3 3.850 . 3.850 2.828 2.356 3.456 . 0 0 "[ . 1 . 2]" 1
41 1 17 TRP H 1 17 TRP QB 3.230 . 3.230 2.406 2.245 2.475 . 0 0 "[ . 1 . 2]" 1
42 1 88 ASN H 1 89 ALA H 4.190 . 4.190 4.067 3.957 4.225 0.035 11 0 "[ . 1 . 2]" 1
43 1 82 CYS H 1 89 ALA H 4.340 . 4.340 2.326 2.181 2.546 . 0 0 "[ . 1 . 2]" 1
44 1 22 ALA H 1 23 CYS H 4.510 . 4.510 4.128 3.913 4.387 . 0 0 "[ . 1 . 2]" 1
45 1 89 ALA H 1 90 SER H 3.860 . 3.860 3.811 3.510 3.956 0.096 19 0 "[ . 1 . 2]" 1
46 1 82 CYS HA 1 89 ALA H 4.490 . 4.490 4.503 4.197 4.585 0.095 7 0 "[ . 1 . 2]" 1
47 1 82 CYS HB3 1 89 ALA H 3.570 . 3.570 2.949 2.295 3.368 . 0 0 "[ . 1 . 2]" 1
48 1 82 CYS HB2 1 89 ALA H 3.640 . 3.640 2.597 2.203 2.886 . 0 0 "[ . 1 . 2]" 1
49 1 16 CYS HB2 1 17 TRP H 4.780 . 4.780 4.389 4.286 4.469 . 0 0 "[ . 1 . 2]" 1
50 1 89 ALA H 1 89 ALA MB 2.820 . 2.820 2.664 2.542 2.779 . 0 0 "[ . 1 . 2]" 1
51 1 22 ALA H 1 22 ALA MB 3.030 . 3.030 2.498 2.377 2.632 . 0 0 "[ . 1 . 2]" 1
52 1 51 TRP H 1 58 ASN H 5.170 . 5.170 4.631 4.317 4.940 . 0 0 "[ . 1 . 2]" 1
53 1 17 TRP HD1 1 51 TRP H 4.030 . 4.030 2.980 2.645 3.235 . 0 0 "[ . 1 . 2]" 1
54 1 51 TRP H 1 51 TRP HD1 4.620 . 4.620 4.235 3.361 4.710 0.090 2 0 "[ . 1 . 2]" 1
55 1 51 TRP H 1 57 TYR QD 4.130 . 4.130 3.940 3.471 4.180 0.050 12 0 "[ . 1 . 2]" 1
56 1 51 TRP H 1 54 CYS QB 4.890 . 4.890 4.644 4.271 4.964 0.074 2 0 "[ . 1 . 2]" 1
57 1 51 TRP H 1 51 TRP QB 3.200 . 3.200 2.194 2.075 2.315 . 0 0 "[ . 1 . 2]" 1
58 1 50 LEU MD1 1 51 TRP H 5.090 . 5.090 4.552 4.417 4.638 . 0 0 "[ . 1 . 2]" 1
59 1 50 LEU MD2 1 51 TRP H 5.450 . 5.450 4.425 4.301 4.680 . 0 0 "[ . 1 . 2]" 1
60 1 108 GLN H 1 109 ASN H 3.830 . 3.830 2.663 1.843 3.875 0.045 8 0 "[ . 1 . 2]" 1
61 1 80 PHE H 1 81 LYS H 4.200 . 4.200 4.159 3.974 4.300 0.100 18 0 "[ . 1 . 2]" 1
62 1 80 PHE QD 1 81 LYS H 4.700 . 4.700 4.368 3.796 4.707 0.007 10 0 "[ . 1 . 2]" 1
63 1 80 PHE HA 1 81 LYS H 2.790 . 2.790 2.103 1.989 2.212 . 0 0 "[ . 1 . 2]" 1
64 1 81 LYS HA 1 82 CYS H 3.060 . 3.060 2.295 2.149 2.473 . 0 0 "[ . 1 . 2]" 1
65 1 80 PHE HB3 1 81 LYS H 4.140 . 4.140 3.618 3.039 3.949 . 0 0 "[ . 1 . 2]" 1
66 1 81 LYS H 1 81 LYS QE 4.450 . 4.450 3.998 2.614 4.536 0.086 5 0 "[ . 1 . 2]" 1
67 1 81 LYS H 1 81 LYS HB2 3.310 . 3.310 2.505 2.306 2.743 . 0 0 "[ . 1 . 2]" 1
68 1 81 LYS HB3 1 82 CYS H 3.090 . 3.090 2.710 2.324 3.137 0.047 3 0 "[ . 1 . 2]" 1
69 1 81 LYS H 1 81 LYS HG2 4.620 . 4.620 3.665 3.199 4.332 . 0 0 "[ . 1 . 2]" 1
70 1 81 LYS H 1 81 LYS HG3 4.620 . 4.620 2.600 1.881 3.931 . 0 0 "[ . 1 . 2]" 1
71 1 81 LYS H 1 91 PHE H 4.830 . 4.830 4.786 4.525 4.895 0.065 7 0 "[ . 1 . 2]" 1
72 1 81 LYS H 1 90 SER HA 4.420 . 4.420 4.215 3.959 4.435 0.015 18 0 "[ . 1 . 2]" 1
73 1 82 CYS H 1 90 SER HA 4.780 . 4.780 3.769 3.213 4.012 . 0 0 "[ . 1 . 2]" 1
74 1 82 CYS H 1 82 CYS HB3 3.210 . 3.210 2.690 2.623 2.764 . 0 0 "[ . 1 . 2]" 1
75 1 82 CYS H 1 82 CYS HB2 3.230 . 3.230 2.399 2.334 2.494 . 0 0 "[ . 1 . 2]" 1
76 1 57 TYR QD 1 58 ASN H 4.110 . 4.110 3.238 2.956 3.470 . 0 0 "[ . 1 . 2]" 1
77 1 57 TYR HA 1 58 ASN H 3.190 . 3.190 2.468 2.276 2.543 . 0 0 "[ . 1 . 2]" 1
78 1 58 ASN H 1 58 ASN HB2 4.120 . 4.120 3.083 2.828 3.185 . 0 0 "[ . 1 . 2]" 1
79 1 57 TYR HB3 1 58 ASN H 4.290 . 4.290 3.775 3.648 3.906 . 0 0 "[ . 1 . 2]" 1
80 1 48 VAL HB 1 58 ASN H 5.060 . 5.060 5.027 4.779 5.146 0.086 12 0 "[ . 1 . 2]" 1
81 1 58 ASN H 1 58 ASN HB3 4.090 . 4.090 3.782 3.697 3.833 . 0 0 "[ . 1 . 2]" 1
82 1 50 LEU MD1 1 58 ASN H 4.140 . 4.140 2.818 2.487 4.105 . 0 0 "[ . 1 . 2]" 1
83 1 50 LEU MD2 1 58 ASN H 4.290 . 4.290 3.837 2.798 4.063 . 0 0 "[ . 1 . 2]" 1
84 1 58 ASN H 1 58 ASN HD21 4.310 . 4.310 4.099 3.728 4.428 0.118 2 0 "[ . 1 . 2]" 1
85 1 20 CYS H 1 20 CYS HB3 3.330 . 3.330 2.390 2.264 2.867 . 0 0 "[ . 1 . 2]" 1
86 1 20 CYS H 1 20 CYS HB2 3.360 . 3.360 2.687 2.312 3.396 0.036 12 0 "[ . 1 . 2]" 1
87 1 19 GLN QB 1 20 CYS H 3.960 . 3.960 3.801 3.580 4.012 0.052 12 0 "[ . 1 . 2]" 1
88 1 47 PHE H 1 48 VAL H 4.820 . 4.820 4.404 4.295 4.502 . 0 0 "[ . 1 . 2]" 1
89 1 47 PHE H 1 47 PHE QD 3.530 . 3.530 2.611 2.225 2.816 . 0 0 "[ . 1 . 2]" 1
90 1 47 PHE H 1 62 THR HA 4.210 . 4.210 3.174 3.061 3.253 . 0 0 "[ . 1 . 2]" 1
91 1 20 CYS HA 1 21 GLN H 3.080 . 3.080 2.197 2.128 2.303 . 0 0 "[ . 1 . 2]" 1
92 1 46 VAL HA 1 47 PHE H 2.870 . 2.870 2.134 2.051 2.223 . 0 0 "[ . 1 . 2]" 1
93 1 20 CYS HB3 1 21 GLN H 4.710 . 4.710 4.408 4.144 4.544 . 0 0 "[ . 1 . 2]" 1
94 1 47 PHE H 1 47 PHE HB3 3.740 . 3.740 3.663 3.587 3.730 . 0 0 "[ . 1 . 2]" 1
95 1 20 CYS HB2 1 21 GLN H 4.550 . 4.550 4.449 4.137 4.569 0.019 9 0 "[ . 1 . 2]" 1
96 1 47 PHE H 1 47 PHE HB2 3.610 . 3.610 2.671 2.449 2.893 . 0 0 "[ . 1 . 2]" 1
97 1 21 GLN H 1 21 GLN QG 3.430 . 3.430 2.694 2.306 3.460 0.030 12 0 "[ . 1 . 2]" 1
98 1 47 PHE H 1 60 PRO HB2 5.270 . 5.270 4.297 3.810 4.831 . 0 0 "[ . 1 . 2]" 1
99 1 47 PHE H 1 67 LEU HB2 5.500 . 5.500 5.292 5.081 5.532 0.032 10 0 "[ . 1 . 2]" 1
100 1 21 GLN H 1 21 GLN HB3 3.700 . 3.700 3.666 3.630 3.691 . 0 0 "[ . 1 . 2]" 1
101 1 46 VAL HB 1 47 PHE H 3.620 . 3.620 3.060 2.790 3.431 . 0 0 "[ . 1 . 2]" 1
102 1 21 GLN H 1 22 ALA MB 4.540 . 4.540 4.040 3.746 4.323 . 0 0 "[ . 1 . 2]" 1
103 1 46 VAL MG1 1 47 PHE H 4.710 . 4.710 3.818 3.659 3.955 . 0 0 "[ . 1 . 2]" 1
104 1 46 VAL MG2 1 47 PHE H 4.710 . 4.710 3.936 3.740 4.152 . 0 0 "[ . 1 . 2]" 1
105 1 14 ASN HA 1 15 CYS H 3.390 . 3.390 2.190 2.095 2.319 . 0 0 "[ . 1 . 2]" 1
106 1 54 CYS H 1 57 TYR HB3 3.780 . 3.780 3.530 3.389 3.692 . 0 0 "[ . 1 . 2]" 1
107 1 15 CYS H 1 22 ALA MB 4.220 . 4.220 3.342 3.062 3.691 . 0 0 "[ . 1 . 2]" 1
108 1 66 TRP H 1 68 GLN HE21 5.210 . 5.210 5.046 4.646 5.264 0.054 7 0 "[ . 1 . 2]" 1
109 1 54 CYS H 1 57 TYR QD 4.130 . 4.130 3.675 3.179 3.944 . 0 0 "[ . 1 . 2]" 1
110 1 54 CYS H 1 57 TYR QE 4.920 . 4.920 4.695 4.025 4.962 0.042 13 0 "[ . 1 . 2]" 1
111 1 63 SER HA 1 66 TRP H 4.310 . 4.310 4.114 3.932 4.344 0.034 20 0 "[ . 1 . 2]" 1
112 1 66 TRP H 1 66 TRP HB2 3.420 . 3.420 2.549 2.405 2.670 . 0 0 "[ . 1 . 2]" 1
113 1 52 LYS HA 1 54 CYS H 3.860 . 3.860 3.465 3.149 3.689 . 0 0 "[ . 1 . 2]" 1
114 1 66 TRP H 1 66 TRP HB3 3.420 . 3.420 2.552 2.498 2.669 . 0 0 "[ . 1 . 2]" 1
115 1 54 CYS H 1 54 CYS QB 3.040 . 3.040 2.561 2.452 2.649 . 0 0 "[ . 1 . 2]" 1
116 1 64 GLN HB3 1 66 TRP H 5.030 . 5.030 4.934 4.744 5.047 0.017 16 0 "[ . 1 . 2]" 1
117 1 56 VAL H 1 57 TYR H 3.200 . 3.200 2.108 2.007 2.226 . 0 0 "[ . 1 . 2]" 1
118 1 57 TYR H 1 57 TYR QD 3.680 . 3.680 1.769 1.637 1.958 . 0 0 "[ . 1 . 2]" 1
119 1 48 VAL HA 1 49 CYS H 3.280 . 3.280 2.119 2.052 2.229 . 0 0 "[ . 1 . 2]" 1
120 1 57 TYR H 1 57 TYR HB2 3.660 . 3.660 3.662 3.614 3.695 0.035 9 0 "[ . 1 . 2]" 1
121 1 54 CYS QB 1 57 TYR H 3.660 . 3.660 2.357 2.128 2.604 . 0 0 "[ . 1 . 2]" 1
122 1 57 TYR H 1 57 TYR HB3 3.230 . 3.230 2.634 2.506 2.714 . 0 0 "[ . 1 . 2]" 1
123 1 48 VAL HB 1 49 CYS H 3.940 . 3.940 3.865 3.468 4.002 0.062 4 0 "[ . 1 . 2]" 1
124 1 56 VAL MG2 1 57 TYR H 3.800 . 3.800 3.197 3.007 3.337 . 0 0 "[ . 1 . 2]" 1
125 1 48 VAL MG1 1 49 CYS H 4.250 . 4.250 3.696 2.473 4.261 0.011 9 0 "[ . 1 . 2]" 1
126 1 86 GLY H 1 87 CYS H 3.500 . 3.500 2.096 1.830 2.656 . 0 0 "[ . 1 . 2]" 1
127 1 87 CYS H 1 87 CYS HB2 3.090 . 3.090 2.807 2.648 2.998 . 0 0 "[ . 1 . 2]" 1
128 1 87 CYS H 1 87 CYS HB3 3.130 . 3.130 2.506 2.396 2.641 . 0 0 "[ . 1 . 2]" 1
129 1 84 VAL HB 1 87 CYS H 4.240 . 4.240 3.121 2.666 3.273 . 0 0 "[ . 1 . 2]" 1
130 1 84 VAL MG1 1 87 CYS H 3.990 . 3.990 2.916 2.537 3.163 . 0 0 "[ . 1 . 2]" 1
131 1 94 GLN H 1 95 GLY H 3.980 . 3.980 2.503 2.282 2.721 . 0 0 "[ . 1 . 2]" 1
132 1 93 SER H 1 94 GLN H 5.140 . 5.140 4.330 4.208 4.455 . 0 0 "[ . 1 . 2]" 1
133 1 94 GLN H 1 96 GLY H 5.460 . 5.460 4.819 4.451 5.094 . 0 0 "[ . 1 . 2]" 1
134 1 80 PHE QE 1 94 GLN H 3.700 . 3.700 3.218 2.764 3.700 0.000 5 0 "[ . 1 . 2]" 1
135 1 91 PHE QD 1 92 ALA H 4.470 . 4.470 4.093 3.809 4.354 . 0 0 "[ . 1 . 2]" 1
136 1 80 PHE QD 1 94 GLN H 4.220 . 4.220 3.867 3.550 4.170 . 0 0 "[ . 1 . 2]" 1
137 1 91 PHE HA 1 92 ALA H 3.250 . 3.250 2.286 2.180 2.388 . 0 0 "[ . 1 . 2]" 1
138 1 93 SER HA 1 94 GLN H 3.060 . 3.060 2.278 2.141 2.441 . 0 0 "[ . 1 . 2]" 1
139 1 93 SER HB2 1 94 GLN H 3.650 . 3.650 3.560 2.655 3.728 0.078 3 0 "[ . 1 . 2]" 1
140 1 93 SER HB3 1 94 GLN H 3.650 . 3.650 3.026 2.476 3.738 0.088 14 0 "[ . 1 . 2]" 1
141 1 91 PHE HB3 1 92 ALA H 3.710 . 3.710 2.832 2.502 3.110 . 0 0 "[ . 1 . 2]" 1
142 1 91 PHE HB2 1 92 ALA H 4.000 . 4.000 3.855 3.507 4.025 0.025 20 0 "[ . 1 . 2]" 1
143 1 94 GLN H 1 94 GLN QG 4.230 . 4.230 3.333 2.531 4.052 . 0 0 "[ . 1 . 2]" 1
144 1 92 ALA H 1 92 ALA MB 3.130 . 3.130 2.244 2.190 2.282 . 0 0 "[ . 1 . 2]" 1
145 1 94 GLN H 1 94 GLN HB2 3.050 . 3.050 2.336 2.163 2.662 . 0 0 "[ . 1 . 2]" 1
146 1 94 GLN H 1 94 GLN HB3 3.460 . 3.460 3.175 2.631 3.516 0.056 5 0 "[ . 1 . 2]" 1
147 1 31 ALA H 1 75 SER HB3 4.950 . 4.950 3.809 2.872 4.653 . 0 0 "[ . 1 . 2]" 1
148 1 29 ASP QB 1 31 ALA H 5.140 . 5.140 4.667 4.541 4.834 . 0 0 "[ . 1 . 2]" 1
149 1 31 ALA H 1 32 ASP QB 5.460 . 5.460 4.428 4.284 4.565 . 0 0 "[ . 1 . 2]" 1
150 1 30 LEU HG 1 31 ALA H 3.930 . 3.930 3.664 3.474 3.932 0.002 7 0 "[ . 1 . 2]" 1
151 1 30 LEU H 1 31 ALA H 3.510 . 3.510 2.774 2.687 2.871 . 0 0 "[ . 1 . 2]" 1
152 1 91 PHE QD 1 97 LEU H 3.880 . 3.880 3.621 2.548 3.915 0.035 17 0 "[ . 1 . 2]" 1
153 1 28 PRO HA 1 31 ALA H 4.080 . 4.080 3.475 3.289 3.620 . 0 0 "[ . 1 . 2]" 1
154 1 26 SER QB 1 30 LEU H 3.660 . 3.660 3.699 3.581 3.757 0.097 7 0 "[ . 1 . 2]" 1
155 1 94 GLN HA 1 97 LEU H 3.630 . 3.630 3.447 3.156 3.633 0.003 7 0 "[ . 1 . 2]" 1
156 1 91 PHE HB2 1 97 LEU H 3.940 . 3.940 3.335 2.896 3.829 . 0 0 "[ . 1 . 2]" 1
157 1 29 ASP QB 1 30 LEU H 3.500 . 3.500 2.379 2.174 2.526 . 0 0 "[ . 1 . 2]" 1
158 1 30 LEU H 1 30 LEU HB2 3.510 . 3.510 2.480 2.411 2.547 . 0 0 "[ . 1 . 2]" 1
159 1 97 LEU H 1 97 LEU HB3 3.220 . 3.220 2.321 2.291 2.359 . 0 0 "[ . 1 . 2]" 1
160 1 30 LEU H 1 30 LEU HB3 3.510 . 3.510 2.543 2.480 2.593 . 0 0 "[ . 1 . 2]" 1
161 1 97 LEU H 1 97 LEU HG 4.590 . 4.590 4.373 4.273 4.460 . 0 0 "[ . 1 . 2]" 1
162 1 31 ALA H 1 31 ALA MB 3.070 . 3.070 2.216 2.189 2.254 . 0 0 "[ . 1 . 2]" 1
163 1 97 LEU H 1 97 LEU HB2 3.230 . 3.230 2.680 2.575 2.787 . 0 0 "[ . 1 . 2]" 1
164 1 30 LEU H 1 30 LEU MD1 4.550 . 4.550 4.079 4.023 4.138 . 0 0 "[ . 1 . 2]" 1
165 1 97 LEU H 1 97 LEU MD2 3.880 . 3.880 3.922 3.897 3.951 0.071 16 0 "[ . 1 . 2]" 1
166 1 87 CYS H 1 88 ASN H 4.470 . 4.470 4.275 4.134 4.417 . 0 0 "[ . 1 . 2]" 1
167 1 42 GLN HA 1 43 ARG H 3.360 . 3.360 3.123 2.996 3.277 . 0 0 "[ . 1 . 2]" 1
168 1 87 CYS HA 1 88 ASN H 3.100 . 3.100 2.071 1.968 2.244 . 0 0 "[ . 1 . 2]" 1
169 1 107 GLN HA 1 108 GLN H 3.300 . 3.300 2.478 1.956 3.415 0.115 16 0 "[ . 1 . 2]" 1
170 1 43 ARG H 1 44 GLY QA 4.780 . 4.780 4.742 4.550 4.814 0.034 6 0 "[ . 1 . 2]" 1
171 1 106 SER QB 1 107 GLN H 3.900 . 3.900 3.404 2.071 3.953 0.053 5 0 "[ . 1 . 2]" 1
172 1 87 CYS HB2 1 88 ASN H 4.370 . 4.370 4.101 3.816 4.332 . 0 0 "[ . 1 . 2]" 1
173 1 42 GLN QG 1 43 ARG H 5.000 . 5.000 4.729 4.335 4.968 . 0 0 "[ . 1 . 2]" 1
174 1 107 GLN H 1 107 GLN QG 4.530 . 4.530 3.069 1.921 4.545 0.015 16 0 "[ . 1 . 2]" 1
175 1 108 GLN H 1 108 GLN QG 4.730 . 4.730 2.963 1.956 4.538 . 0 0 "[ . 1 . 2]" 1
176 1 43 ARG H 1 43 ARG QG 3.060 . 3.060 2.146 1.776 2.745 . 0 0 "[ . 1 . 2]" 1
177 1 33 HIS H 1 34 ILE H 3.530 . 3.530 2.765 2.686 2.845 . 0 0 "[ . 1 . 2]" 1
178 1 70 HIS H 1 71 MET H 3.570 . 3.570 2.636 2.517 2.810 . 0 0 "[ . 1 . 2]" 1
179 1 69 ARG H 1 70 HIS H 3.310 . 3.310 2.512 2.355 2.721 . 0 0 "[ . 1 . 2]" 1
180 1 70 HIS H 1 72 LEU H 4.270 . 4.270 3.798 3.656 3.974 . 0 0 "[ . 1 . 2]" 1
181 1 10 ASN HA 1 11 ILE H 3.320 . 3.320 2.459 2.044 3.377 0.057 6 0 "[ . 1 . 2]" 1
182 1 31 ALA HA 1 33 HIS H 4.880 . 4.880 4.437 4.257 4.581 . 0 0 "[ . 1 . 2]" 1
183 1 95 GLY QA 1 98 ALA H 4.090 . 4.090 3.746 3.474 3.949 . 0 0 "[ . 1 . 2]" 1
184 1 30 LEU HA 1 33 HIS H 3.940 . 3.940 3.511 3.394 3.785 . 0 0 "[ . 1 . 2]" 1
185 1 67 LEU HA 1 70 HIS H 3.770 . 3.770 3.515 3.218 3.655 . 0 0 "[ . 1 . 2]" 1
186 1 33 HIS H 1 33 HIS HB2 3.350 . 3.350 2.798 2.621 3.388 0.038 9 0 "[ . 1 . 2]" 1
187 1 33 HIS H 1 33 HIS HB3 3.350 . 3.350 2.342 2.136 2.464 . 0 0 "[ . 1 . 2]" 1
188 1 10 ASN HB2 1 11 ILE H 4.850 . 4.850 3.910 2.236 4.506 . 0 0 "[ . 1 . 2]" 1
189 1 10 ASN HB3 1 11 ILE H 4.850 . 4.850 3.824 1.873 4.388 . 0 0 "[ . 1 . 2]" 1
190 1 32 ASP QB 1 33 HIS H 3.230 . 3.230 2.443 2.340 2.628 . 0 0 "[ . 1 . 2]" 1
191 1 70 HIS H 1 70 HIS HB3 3.320 . 3.320 2.394 2.329 2.481 . 0 0 "[ . 1 . 2]" 1
192 1 11 ILE H 1 11 ILE HB 3.510 . 3.510 2.959 2.238 3.523 0.013 14 0 "[ . 1 . 2]" 1
193 1 94 GLN HB3 1 98 ALA H 4.690 . 4.690 4.300 3.766 4.758 0.068 15 0 "[ . 1 . 2]" 1
194 1 97 LEU HG 1 98 ALA H 4.850 . 4.850 4.041 3.734 4.315 . 0 0 "[ . 1 . 2]" 1
195 1 31 ALA MB 1 33 HIS H 5.500 . 5.500 4.527 4.382 4.714 . 0 0 "[ . 1 . 2]" 1
196 1 33 HIS H 1 34 ILE MD 4.180 . 4.180 4.186 4.082 4.219 0.039 6 0 "[ . 1 . 2]" 1
197 1 11 ILE H 1 11 ILE MD 4.470 . 4.470 4.372 4.084 4.566 0.096 20 0 "[ . 1 . 2]" 1
198 1 11 ILE H 1 11 ILE MG 3.980 . 3.980 2.514 1.986 4.085 0.105 14 0 "[ . 1 . 2]" 1
199 1 98 ALA H 1 99 ARG H 3.420 . 3.420 2.596 2.477 2.688 . 0 0 "[ . 1 . 2]" 1
200 1 100 HIS H 1 101 VAL H 3.280 . 3.280 2.355 2.246 2.403 . 0 0 "[ . 1 . 2]" 1
201 1 97 LEU H 1 98 ALA H 3.240 . 3.240 2.516 2.348 2.658 . 0 0 "[ . 1 . 2]" 1
202 1 77 ASP HA 1 78 LYS H 2.960 . 2.960 2.497 1.993 3.021 0.061 18 0 "[ . 1 . 2]" 1
203 1 98 ALA HA 1 101 VAL H 3.770 . 3.770 3.687 3.305 3.830 0.060 10 0 "[ . 1 . 2]" 1
204 1 78 LYS H 1 79 PRO HD2 3.710 . 3.710 1.892 1.683 2.434 . 0 0 "[ . 1 . 2]" 1
205 1 101 VAL H 1 102 PRO HD3 3.360 . 3.360 3.187 3.073 3.290 . 0 0 "[ . 1 . 2]" 1
206 1 94 GLN HA 1 98 ALA H 3.940 . 3.940 3.760 3.574 3.935 . 0 0 "[ . 1 . 2]" 1
207 1 100 HIS HB3 1 101 VAL H 3.520 . 3.520 2.672 2.599 2.788 . 0 0 "[ . 1 . 2]" 1
208 1 100 HIS HB2 1 101 VAL H 4.440 . 4.440 3.974 3.925 4.050 . 0 0 "[ . 1 . 2]" 1
209 1 101 VAL H 1 101 VAL HB 3.200 . 3.200 2.484 2.427 2.537 . 0 0 "[ . 1 . 2]" 1
210 1 97 LEU HB3 1 98 ALA H 3.440 . 3.440 2.720 2.599 2.841 . 0 0 "[ . 1 . 2]" 1
211 1 99 ARG QB 1 101 VAL H 4.980 . 4.980 4.992 4.931 5.051 0.071 20 0 "[ . 1 . 2]" 1
212 1 97 LEU HG 1 101 VAL H 4.250 . 4.250 3.433 3.258 3.582 . 0 0 "[ . 1 . 2]" 1
213 1 98 ALA H 1 98 ALA MB 2.730 . 2.730 2.212 2.178 2.242 . 0 0 "[ . 1 . 2]" 1
214 1 101 VAL H 1 101 VAL MG2 2.990 . 2.990 2.111 1.994 2.179 . 0 0 "[ . 1 . 2]" 1
215 1 101 VAL H 1 101 VAL MG1 3.900 . 3.900 3.762 3.726 3.784 . 0 0 "[ . 1 . 2]" 1
216 1 97 LEU MD2 1 98 ALA H 3.680 . 3.680 3.092 2.898 3.286 . 0 0 "[ . 1 . 2]" 1
217 1 13 TYR H 1 14 ASN H 4.330 . 4.330 3.901 3.228 4.094 . 0 0 "[ . 1 . 2]" 1
218 1 13 TYR H 1 24 PHE H 4.630 . 4.630 3.366 2.809 4.766 0.136 12 0 "[ . 1 . 2]" 1
219 1 13 TYR H 1 13 TYR QE 4.690 . 4.690 4.214 3.881 4.703 0.013 4 0 "[ . 1 . 2]" 1
220 1 24 PHE H 1 24 PHE QE 4.900 . 4.900 4.745 4.552 4.948 0.048 12 0 "[ . 1 . 2]" 1
221 1 23 CYS HA 1 24 PHE H 3.380 . 3.380 2.129 2.077 2.269 . 0 0 "[ . 1 . 2]" 1
222 1 13 TYR HA 1 14 ASN H 3.220 . 3.220 2.102 2.001 2.303 . 0 0 "[ . 1 . 2]" 1
223 1 12 ALA HA 1 13 TYR H 3.310 . 3.310 2.301 2.095 3.118 . 0 0 "[ . 1 . 2]" 1
224 1 13 TYR QB 1 24 PHE H 4.370 . 4.370 3.051 2.485 3.347 . 0 0 "[ . 1 . 2]" 1
225 1 12 ALA MB 1 14 ASN H 4.550 . 4.550 4.144 3.769 4.556 0.006 12 0 "[ . 1 . 2]" 1
226 1 12 ALA MB 1 24 PHE H 4.960 . 4.960 4.212 3.602 4.964 0.004 15 0 "[ . 1 . 2]" 1
227 1 12 ALA MB 1 13 TYR H 3.710 . 3.710 3.029 1.787 3.515 . 0 0 "[ . 1 . 2]" 1
228 1 72 LEU H 1 72 LEU MD1 4.290 . 4.290 4.078 3.957 4.185 . 0 0 "[ . 1 . 2]" 1
229 1 40 ASP H 1 42 GLN H 4.300 . 4.300 4.181 3.959 4.322 0.022 7 0 "[ . 1 . 2]" 1
230 1 42 GLN H 1 43 ARG H 4.020 . 4.020 2.620 2.326 2.818 . 0 0 "[ . 1 . 2]" 1
231 1 42 GLN H 1 47 PHE QD 4.840 . 4.840 4.101 3.497 4.611 . 0 0 "[ . 1 . 2]" 1
232 1 12 ALA HA 1 14 ASN H 5.310 . 5.310 5.146 4.905 5.418 0.108 12 0 "[ . 1 . 2]" 1
233 1 41 GLY HA2 1 42 GLN H 3.460 . 3.460 3.450 3.362 3.481 0.021 17 0 "[ . 1 . 2]" 1
234 1 69 ARG HA 1 72 LEU H 3.780 . 3.780 3.544 3.053 3.793 0.013 10 0 "[ . 1 . 2]" 1
235 1 42 GLN H 1 42 GLN QG 3.950 . 3.950 3.478 2.546 3.999 0.049 6 0 "[ . 1 . 2]" 1
236 1 42 GLN H 1 42 GLN HB2 2.990 . 2.990 2.192 2.087 2.294 . 0 0 "[ . 1 . 2]" 1
237 1 72 LEU H 1 72 LEU HB2 3.640 . 3.640 2.446 2.328 2.563 . 0 0 "[ . 1 . 2]" 1
238 1 42 GLN H 1 43 ARG QG 4.210 . 4.210 3.978 3.337 4.267 0.057 19 0 "[ . 1 . 2]" 1
239 1 72 LEU H 1 72 LEU HB3 3.640 . 3.640 2.458 2.312 2.565 . 0 0 "[ . 1 . 2]" 1
240 1 39 VAL MG1 1 42 GLN H 4.730 . 4.730 4.584 4.348 4.745 0.015 9 0 "[ . 1 . 2]" 1
241 1 64 GLN HA 1 67 LEU H 3.940 . 3.940 3.599 3.405 3.863 . 0 0 "[ . 1 . 2]" 1
242 1 83 VAL H 1 101 VAL MG2 3.960 . 3.960 2.755 2.511 3.076 . 0 0 "[ . 1 . 2]" 1
243 1 66 TRP H 1 67 LEU H 3.360 . 3.360 2.671 2.468 2.916 . 0 0 "[ . 1 . 2]" 1
244 1 82 CYS HA 1 83 VAL H 3.060 . 3.060 2.266 2.159 2.348 . 0 0 "[ . 1 . 2]" 1
245 1 66 TRP HB2 1 67 LEU H 3.830 . 3.830 3.845 3.694 3.897 0.067 4 0 "[ . 1 . 2]" 1
246 1 66 TRP HB3 1 67 LEU H 3.830 . 3.830 2.535 2.355 2.650 . 0 0 "[ . 1 . 2]" 1
247 1 82 CYS HB2 1 83 VAL H 4.190 . 4.190 4.052 3.878 4.204 0.014 11 0 "[ . 1 . 2]" 1
248 1 67 LEU H 1 68 GLN QG 5.160 . 5.160 4.390 4.047 4.672 . 0 0 "[ . 1 . 2]" 1
249 1 67 LEU H 1 70 HIS HB3 5.500 . 5.500 4.909 4.709 5.138 . 0 0 "[ . 1 . 2]" 1
250 1 67 LEU H 1 67 LEU HB2 3.770 . 3.770 2.248 1.864 2.494 . 0 0 "[ . 1 . 2]" 1
251 1 67 LEU H 1 67 LEU HB3 3.440 . 3.440 2.371 2.240 2.580 . 0 0 "[ . 1 . 2]" 1
252 1 67 LEU H 1 67 LEU HG 3.790 . 3.790 3.999 3.920 4.049 0.259 18 0 "[ . 1 . 2]" 1
253 1 67 LEU H 1 67 LEU MD1 4.310 . 4.310 4.088 3.949 4.241 . 0 0 "[ . 1 . 2]" 1
254 1 67 LEU H 1 67 LEU MD2 4.310 . 4.310 3.987 3.613 4.175 . 0 0 "[ . 1 . 2]" 1
255 1 76 GLY H 1 77 ASP H 3.690 . 3.690 2.655 2.309 3.137 . 0 0 "[ . 1 . 2]" 1
256 1 22 ALA HA 1 23 CYS H 3.060 . 3.060 2.270 2.154 2.701 . 0 0 "[ . 1 . 2]" 1
257 1 76 GLY QA 1 77 ASP H 2.960 . 2.960 2.476 2.115 2.961 0.001 7 0 "[ . 1 . 2]" 1
258 1 35 ARG HA 1 39 VAL H 3.650 . 3.650 3.045 2.949 3.213 . 0 0 "[ . 1 . 2]" 1
259 1 77 ASP H 1 77 ASP QB 3.220 . 3.220 2.588 2.311 2.915 . 0 0 "[ . 1 . 2]" 1
260 1 83 VAL H 1 83 VAL HB 3.420 . 3.420 2.924 2.425 3.551 0.131 14 0 "[ . 1 . 2]" 1
261 1 39 VAL H 1 39 VAL HB 3.350 . 3.350 2.485 2.402 2.536 . 0 0 "[ . 1 . 2]" 1
262 1 22 ALA MB 1 23 CYS H 3.430 . 3.430 3.030 2.248 3.227 . 0 0 "[ . 1 . 2]" 1
263 1 39 VAL H 1 39 VAL MG2 3.130 . 3.130 2.182 2.052 2.314 . 0 0 "[ . 1 . 2]" 1
264 1 38 HIS HB3 1 39 VAL H 4.000 . 4.000 3.106 2.988 3.213 . 0 0 "[ . 1 . 2]" 1
265 1 97 LEU HA 1 100 HIS H 3.450 . 3.450 3.132 3.031 3.277 . 0 0 "[ . 1 . 2]" 1
266 1 97 LEU HG 1 100 HIS H 4.440 . 4.440 4.316 4.105 4.470 0.030 6 0 "[ . 1 . 2]" 1
267 1 31 ALA H 1 32 ASP H 3.360 . 3.360 2.730 2.655 2.809 . 0 0 "[ . 1 . 2]" 1
268 1 34 ILE H 1 35 ARG H 3.770 . 3.770 2.911 2.807 3.012 . 0 0 "[ . 1 . 2]" 1
269 1 32 ASP H 1 33 HIS H 3.370 . 3.370 2.677 2.542 2.863 . 0 0 "[ . 1 . 2]" 1
270 1 97 LEU H 1 100 HIS H 4.830 . 4.830 4.777 4.654 4.885 0.055 13 0 "[ . 1 . 2]" 1
271 1 31 ALA HA 1 34 ILE H 4.110 . 4.110 3.384 3.204 3.585 . 0 0 "[ . 1 . 2]" 1
272 1 100 HIS H 1 102 PRO HD2 4.190 . 4.190 3.147 3.044 3.282 . 0 0 "[ . 1 . 2]" 1
273 1 33 HIS HB2 1 34 ILE H 4.240 . 4.240 3.948 3.831 4.279 0.039 1 0 "[ . 1 . 2]" 1
274 1 100 HIS H 1 100 HIS HB3 3.140 . 3.140 2.332 2.262 2.391 . 0 0 "[ . 1 . 2]" 1
275 1 100 HIS H 1 100 HIS HB2 3.270 . 3.270 2.886 2.770 2.979 . 0 0 "[ . 1 . 2]" 1
276 1 33 HIS HB3 1 34 ILE H 4.240 . 4.240 2.650 2.431 3.540 . 0 0 "[ . 1 . 2]" 1
277 1 32 ASP H 1 32 ASP QB 2.820 . 2.820 2.221 2.178 2.272 . 0 0 "[ . 1 . 2]" 1
278 1 34 ILE H 1 34 ILE HG12 4.290 . 4.290 4.137 4.073 4.204 . 0 0 "[ . 1 . 2]" 1
279 1 34 ILE H 1 34 ILE HB 3.480 . 3.480 2.404 2.293 2.547 . 0 0 "[ . 1 . 2]" 1
280 1 99 ARG QB 1 100 HIS H 3.490 . 3.490 2.981 2.889 3.190 . 0 0 "[ . 1 . 2]" 1
281 1 34 ILE H 1 34 ILE HG13 3.740 . 3.740 3.783 3.731 3.810 0.070 7 0 "[ . 1 . 2]" 1
282 1 31 ALA MB 1 32 ASP H 3.080 . 3.080 2.488 2.323 2.680 . 0 0 "[ . 1 . 2]" 1
283 1 100 HIS H 1 101 VAL MG2 3.960 . 3.960 3.874 3.669 3.970 0.010 19 0 "[ . 1 . 2]" 1
284 1 97 LEU MD2 1 100 HIS H 4.920 . 4.920 4.893 4.529 5.010 0.090 20 0 "[ . 1 . 2]" 1
285 1 34 ILE H 1 34 ILE MD 3.510 . 3.510 2.254 2.169 2.319 . 0 0 "[ . 1 . 2]" 1
286 1 39 VAL H 1 40 ASP H 3.380 . 3.380 2.694 2.537 2.777 . 0 0 "[ . 1 . 2]" 1
287 1 105 PHE H 1 105 PHE QD 3.500 . 3.500 2.212 2.011 2.400 . 0 0 "[ . 1 . 2]" 1
288 1 102 PRO HA 1 105 PHE H 3.830 . 3.830 3.101 2.798 3.241 . 0 0 "[ . 1 . 2]" 1
289 1 35 ARG HA 1 40 ASP H 3.530 . 3.530 3.552 3.497 3.619 0.089 20 0 "[ . 1 . 2]" 1
290 1 105 PHE H 1 105 PHE HB2 3.400 . 3.400 2.343 2.270 2.433 . 0 0 "[ . 1 . 2]" 1
291 1 35 ARG QD 1 40 ASP H 4.670 . 4.670 3.982 3.124 4.762 0.092 5 0 "[ . 1 . 2]" 1
292 1 105 PHE H 1 105 PHE HB3 3.590 . 3.590 3.588 3.555 3.622 0.032 6 0 "[ . 1 . 2]" 1
293 1 40 ASP H 1 40 ASP HB2 3.520 . 3.520 2.565 2.216 2.787 . 0 0 "[ . 1 . 2]" 1
294 1 104 HIS HB2 1 105 PHE H 3.690 . 3.690 2.810 2.558 3.084 . 0 0 "[ . 1 . 2]" 1
295 1 39 VAL HB 1 40 ASP H 3.110 . 3.110 2.358 2.154 2.585 . 0 0 "[ . 1 . 2]" 1
296 1 40 ASP H 1 40 ASP HB3 3.520 . 3.520 2.508 2.374 2.703 . 0 0 "[ . 1 . 2]" 1
297 1 39 VAL MG2 1 40 ASP H 4.330 . 4.330 3.753 3.641 3.900 . 0 0 "[ . 1 . 2]" 1
298 1 39 VAL MG1 1 40 ASP H 4.610 . 4.610 3.141 2.981 3.333 . 0 0 "[ . 1 . 2]" 1
299 1 80 PHE H 1 80 PHE QD 3.330 . 3.330 2.740 2.385 3.088 . 0 0 "[ . 1 . 2]" 1
300 1 79 PRO HA 1 80 PHE H 3.550 . 3.550 2.101 2.053 2.189 . 0 0 "[ . 1 . 2]" 1
301 1 80 PHE H 1 80 PHE HB2 3.180 . 3.180 2.537 2.445 2.668 . 0 0 "[ . 1 . 2]" 1
302 1 80 PHE H 1 91 PHE H 3.740 . 3.740 2.803 2.507 3.056 . 0 0 "[ . 1 . 2]" 1
303 1 74 HIS H 1 74 HIS HD2 4.780 . 4.780 4.326 3.645 4.781 0.001 5 0 "[ . 1 . 2]" 1
304 1 35 ARG H 1 35 ARG QG 4.030 . 4.030 3.932 3.697 4.056 0.026 8 0 "[ . 1 . 2]" 1
305 1 73 THR H 1 74 HIS H 3.460 . 3.460 2.490 2.318 2.671 . 0 0 "[ . 1 . 2]" 1
306 1 104 HIS H 1 104 HIS HD2 3.600 . 3.600 3.021 2.886 3.205 . 0 0 "[ . 1 . 2]" 1
307 1 104 HIS H 1 105 PHE HA 5.040 . 5.040 4.981 4.896 5.068 0.028 4 0 "[ . 1 . 2]" 1
308 1 32 ASP HA 1 35 ARG H 3.890 . 3.890 3.392 3.016 3.665 . 0 0 "[ . 1 . 2]" 1
309 1 71 MET HA 1 74 HIS H 3.970 . 3.970 3.026 2.647 3.483 . 0 0 "[ . 1 . 2]" 1
310 1 65 SER HA 1 68 GLN H 4.240 . 4.240 3.578 3.057 3.922 . 0 0 "[ . 1 . 2]" 1
311 1 101 VAL HA 1 104 HIS H 4.320 . 4.320 3.708 3.566 3.940 . 0 0 "[ . 1 . 2]" 1
312 1 34 ILE HA 1 37 ILE H 4.590 . 4.590 3.752 3.579 3.938 . 0 0 "[ . 1 . 2]" 1
313 1 104 HIS H 1 104 HIS HB2 3.120 . 3.120 2.544 2.444 2.669 . 0 0 "[ . 1 . 2]" 1
314 1 35 ARG H 1 39 VAL HB 4.760 . 4.760 4.755 4.618 4.797 0.037 1 0 "[ . 1 . 2]" 1
315 1 64 GLN HA 1 68 GLN H 4.610 . 4.610 4.286 3.729 4.615 0.005 10 0 "[ . 1 . 2]" 1
316 1 35 ARG H 1 38 HIS HB2 4.660 . 4.660 4.664 4.609 4.696 0.036 17 0 "[ . 1 . 2]" 1
317 1 37 ILE H 1 38 HIS HB2 4.960 . 4.960 4.330 4.219 4.499 . 0 0 "[ . 1 . 2]" 1
318 1 68 GLN H 1 68 GLN QG 3.360 . 3.360 2.251 2.108 2.400 . 0 0 "[ . 1 . 2]" 1
319 1 68 GLN H 1 68 GLN HB2 3.130 . 3.130 2.433 2.271 2.615 . 0 0 "[ . 1 . 2]" 1
320 1 74 HIS H 1 74 HIS HB2 3.660 . 3.660 2.496 2.307 2.558 . 0 0 "[ . 1 . 2]" 1
321 1 67 LEU HB2 1 68 GLN H 3.960 . 3.960 3.607 3.110 3.956 . 0 0 "[ . 1 . 2]" 1
322 1 34 ILE HB 1 35 ARG H 3.350 . 3.350 2.785 2.638 2.929 . 0 0 "[ . 1 . 2]" 1
323 1 35 ARG H 1 35 ARG QB 3.530 . 3.530 2.149 2.006 2.257 . 0 0 "[ . 1 . 2]" 1
324 1 103 THR MG 1 104 HIS H 4.060 . 4.060 3.848 3.732 3.963 . 0 0 "[ . 1 . 2]" 1
325 1 74 HIS H 1 74 HIS HB3 3.660 . 3.660 3.660 3.561 3.682 0.022 16 0 "[ . 1 . 2]" 1
326 1 34 ILE MG 1 35 ARG H 3.470 . 3.470 2.743 2.577 2.885 . 0 0 "[ . 1 . 2]" 1
327 1 67 LEU H 1 68 GLN H 3.560 . 3.560 2.668 2.543 2.812 . 0 0 "[ . 1 . 2]" 1
328 1 36 SER QB 1 37 ILE H 3.210 . 3.210 2.749 2.351 3.293 0.083 5 0 "[ . 1 . 2]" 1
329 1 67 LEU HG 1 68 GLN H 3.830 . 3.830 3.620 3.161 4.055 0.225 15 0 "[ . 1 . 2]" 1
330 1 39 VAL MG2 1 68 GLN H 4.360 . 4.360 4.382 4.308 4.437 0.077 5 0 "[ . 1 . 2]" 1
331 1 39 VAL MG1 1 68 GLN H 4.500 . 4.500 4.107 3.591 4.464 . 0 0 "[ . 1 . 2]" 1
332 1 37 ILE H 1 37 ILE MG 3.870 . 3.870 3.847 3.800 3.872 0.002 2 0 "[ . 1 . 2]" 1
333 1 27 SER H 1 29 ASP H 4.310 . 4.310 4.134 3.943 4.322 0.012 5 0 "[ . 1 . 2]" 1
334 1 26 SER HA 1 27 SER H 3.360 . 3.360 2.284 2.220 2.348 . 0 0 "[ . 1 . 2]" 1
335 1 27 SER H 1 28 PRO QD 3.000 . 3.000 2.000 1.910 2.129 . 0 0 "[ . 1 . 2]" 1
336 1 37 ILE H 1 37 ILE HB 3.280 . 3.280 2.548 2.491 2.592 . 0 0 "[ . 1 . 2]" 1
337 1 46 VAL H 1 47 PHE H 4.430 . 4.430 4.174 4.093 4.229 . 0 0 "[ . 1 . 2]" 1
338 1 68 GLN H 1 69 ARG H 3.440 . 3.440 2.762 2.517 3.042 . 0 0 "[ . 1 . 2]" 1
339 1 46 VAL H 1 47 PHE QD 4.960 . 4.960 4.684 4.277 4.967 0.007 7 0 "[ . 1 . 2]" 1
340 1 44 GLY QA 1 46 VAL H 3.580 . 3.580 3.444 3.234 3.588 0.008 20 0 "[ . 1 . 2]" 1
341 1 69 ARG H 1 69 ARG HD2 5.500 . 5.500 4.815 4.517 5.639 0.139 16 0 "[ . 1 . 2]" 1
342 1 69 ARG H 1 69 ARG HD3 5.500 . 5.500 4.823 4.447 5.640 0.140 1 0 "[ . 1 . 2]" 1
343 1 68 GLN QG 1 69 ARG H 4.260 . 4.260 4.160 4.002 4.269 0.009 1 0 "[ . 1 . 2]" 1
344 1 68 GLN HB2 1 69 ARG H 3.370 . 3.370 2.721 2.551 2.837 . 0 0 "[ . 1 . 2]" 1
345 1 69 ARG H 1 69 ARG HB2 3.300 . 3.300 2.487 2.208 2.669 . 0 0 "[ . 1 . 2]" 1
346 1 69 ARG H 1 69 ARG HB3 3.300 . 3.300 2.539 2.352 3.481 0.181 5 0 "[ . 1 . 2]" 1
347 1 46 VAL H 1 46 VAL HB 3.960 . 3.960 3.790 3.755 3.847 . 0 0 "[ . 1 . 2]" 1
348 1 84 VAL MG2 1 85 GLY H 4.350 . 4.350 4.081 3.886 4.255 . 0 0 "[ . 1 . 2]" 1
349 1 84 VAL MG1 1 85 GLY H 3.210 . 3.210 2.886 2.484 3.205 . 0 0 "[ . 1 . 2]" 1
350 1 62 THR H 1 63 SER H 3.340 . 3.340 2.398 2.225 2.623 . 0 0 "[ . 1 . 2]" 1
351 1 63 SER H 1 66 TRP H 5.400 . 5.400 5.100 4.675 5.426 0.026 17 0 "[ . 1 . 2]" 1
352 1 91 PHE H 1 91 PHE QD 3.530 . 3.530 2.814 2.579 3.489 . 0 0 "[ . 1 . 2]" 1
353 1 47 PHE QD 1 63 SER H 4.110 . 4.110 3.533 2.619 4.145 0.035 1 0 "[ . 1 . 2]" 1
354 1 91 PHE H 1 91 PHE QE 5.020 . 5.020 4.809 4.685 4.898 . 0 0 "[ . 1 . 2]" 1
355 1 90 SER HA 1 91 PHE H 3.120 . 3.120 2.102 2.031 2.160 . 0 0 "[ . 1 . 2]" 1
356 1 81 LYS HA 1 91 PHE H 3.950 . 3.950 3.849 3.659 3.984 0.034 8 0 "[ . 1 . 2]" 1
357 1 84 VAL HA 1 85 GLY H 2.510 . 2.510 2.143 2.093 2.208 . 0 0 "[ . 1 . 2]" 1
358 1 61 SER HB2 1 63 SER H 3.990 . 3.990 3.579 2.400 4.068 0.078 2 0 "[ . 1 . 2]" 1
359 1 61 SER HB3 1 63 SER H 3.990 . 3.990 3.004 2.700 4.034 0.044 19 0 "[ . 1 . 2]" 1
360 1 91 PHE H 1 91 PHE HB2 3.500 . 3.500 2.702 2.604 2.789 . 0 0 "[ . 1 . 2]" 1
361 1 84 VAL HB 1 85 GLY H 4.360 . 4.360 4.253 4.061 4.363 0.003 11 0 "[ . 1 . 2]" 1
362 1 91 PHE H 1 97 LEU HB2 4.810 . 4.810 3.785 3.326 4.275 . 0 0 "[ . 1 . 2]" 1
363 1 62 THR MG 1 63 SER H 4.250 . 4.250 4.234 4.137 4.284 0.034 8 0 "[ . 1 . 2]" 1
364 1 91 PHE H 1 97 LEU MD1 3.850 . 3.850 3.397 3.033 3.855 0.005 6 0 "[ . 1 . 2]" 1
365 1 60 PRO HA 1 61 SER H 2.990 . 2.990 2.160 2.042 2.297 . 0 0 "[ . 1 . 2]" 1
366 1 18 ASP HA 1 19 GLN H 2.920 . 2.920 2.647 2.024 3.183 0.263 17 0 "[ . 1 . 2]" 1
367 1 60 PRO QD 1 61 SER H 5.160 . 5.160 4.948 4.890 4.992 . 0 0 "[ . 1 . 2]" 1
368 1 61 SER H 1 61 SER HB2 4.180 . 4.180 2.893 2.612 3.750 . 0 0 "[ . 1 . 2]" 1
369 1 61 SER H 1 61 SER HB3 4.180 . 4.180 3.354 2.507 3.806 . 0 0 "[ . 1 . 2]" 1
370 1 18 ASP QB 1 19 GLN H 3.990 . 3.990 3.204 1.838 3.965 . 0 0 "[ . 1 . 2]" 1
371 1 19 GLN H 1 19 GLN QB 3.430 . 3.430 3.115 2.455 3.435 0.005 4 0 "[ . 1 . 2]" 1
372 1 60 PRO HB2 1 61 SER H 3.550 . 3.550 3.346 2.907 3.561 0.011 17 0 "[ . 1 . 2]" 1
373 1 46 VAL HB 1 61 SER H 3.580 . 3.580 3.457 3.054 3.610 0.030 2 0 "[ . 1 . 2]" 1
374 1 29 ASP H 1 30 LEU H 3.400 . 3.400 2.648 2.489 2.794 . 0 0 "[ . 1 . 2]" 1
375 1 26 SER QB 1 29 ASP H 3.630 . 3.630 2.690 2.517 3.026 . 0 0 "[ . 1 . 2]" 1
376 1 29 ASP H 1 29 ASP QB 3.150 . 3.150 2.418 2.370 2.482 . 0 0 "[ . 1 . 2]" 1
377 1 28 PRO HB3 1 29 ASP H 4.090 . 4.090 4.059 3.946 4.119 0.029 9 0 "[ . 1 . 2]" 1
378 1 28 PRO QG 1 29 ASP H 4.010 . 4.010 2.246 2.081 2.450 . 0 0 "[ . 1 . 2]" 1
379 1 28 PRO HB2 1 29 ASP H 3.590 . 3.590 3.212 2.952 3.375 . 0 0 "[ . 1 . 2]" 1
380 1 106 SER H 1 107 GLN H 4.300 . 4.300 3.106 2.282 4.158 . 0 0 "[ . 1 . 2]" 1
381 1 105 PHE H 1 106 SER H 3.380 . 3.380 2.476 2.325 2.894 . 0 0 "[ . 1 . 2]" 1
382 1 103 THR HA 1 106 SER H 4.500 . 4.500 3.448 3.130 4.539 0.039 1 0 "[ . 1 . 2]" 1
383 1 106 SER H 1 106 SER QB 3.310 . 3.310 2.492 2.209 3.073 . 0 0 "[ . 1 . 2]" 1
384 1 105 PHE HB2 1 106 SER H 3.950 . 3.950 3.234 2.625 4.021 0.071 1 0 "[ . 1 . 2]" 1
385 1 105 PHE HB3 1 106 SER H 4.010 . 4.010 3.878 3.559 4.109 0.099 1 0 "[ . 1 . 2]" 1
386 1 56 VAL H 1 57 TYR HB2 5.350 . 5.350 5.389 5.344 5.425 0.075 20 0 "[ . 1 . 2]" 1
387 1 54 CYS QB 1 56 VAL H 4.150 . 4.150 2.169 1.970 2.342 . 0 0 "[ . 1 . 2]" 1
388 1 56 VAL H 1 57 TYR HB3 4.220 . 4.220 3.953 3.901 4.006 . 0 0 "[ . 1 . 2]" 1
389 1 56 VAL H 1 56 VAL HB 4.020 . 4.020 3.798 3.720 3.866 . 0 0 "[ . 1 . 2]" 1
390 1 55 LYS QB 1 56 VAL H 4.030 . 4.030 3.939 3.740 4.012 . 0 0 "[ . 1 . 2]" 1
391 1 55 LYS QG 1 56 VAL H 4.070 . 4.070 3.573 2.689 3.787 . 0 0 "[ . 1 . 2]" 1
392 1 56 VAL H 1 56 VAL MG2 2.980 . 2.980 2.090 1.999 2.224 . 0 0 "[ . 1 . 2]" 1
393 1 47 PHE QD 1 48 VAL H 4.810 . 4.810 4.357 4.098 4.570 . 0 0 "[ . 1 . 2]" 1
394 1 38 HIS H 1 38 HIS HD2 4.290 . 4.290 2.735 2.594 2.928 . 0 0 "[ . 1 . 2]" 1
395 1 47 PHE HA 1 48 VAL H 3.010 . 3.010 2.213 2.103 2.395 . 0 0 "[ . 1 . 2]" 1
396 1 36 SER HA 1 38 HIS H 4.890 . 4.890 4.600 4.359 4.766 . 0 0 "[ . 1 . 2]" 1
397 1 47 PHE HB3 1 48 VAL H 3.920 . 3.920 3.122 2.675 3.428 . 0 0 "[ . 1 . 2]" 1
398 1 47 PHE HB2 1 48 VAL H 4.090 . 4.090 3.849 3.425 4.154 0.064 6 0 "[ . 1 . 2]" 1
399 1 48 VAL H 1 48 VAL HB 4.140 . 4.140 3.274 2.771 3.599 . 0 0 "[ . 1 . 2]" 1
400 1 48 VAL H 1 67 LEU MD1 4.260 . 4.260 3.671 2.961 4.290 0.030 20 0 "[ . 1 . 2]" 1
401 1 48 VAL H 1 67 LEU MD2 4.260 . 4.260 3.595 2.955 4.005 . 0 0 "[ . 1 . 2]" 1
402 1 37 ILE HB 1 38 HIS H 3.340 . 3.340 3.335 3.230 3.374 0.034 18 0 "[ . 1 . 2]" 1
403 1 37 ILE MG 1 38 HIS H 4.030 . 4.030 3.976 3.935 4.015 . 0 0 "[ . 1 . 2]" 1
404 1 37 ILE H 1 38 HIS H 3.390 . 3.390 2.164 2.093 2.276 . 0 0 "[ . 1 . 2]" 1
405 1 38 HIS H 1 39 VAL H 3.400 . 3.400 2.451 2.341 2.534 . 0 0 "[ . 1 . 2]" 1
406 1 34 ILE HA 1 38 HIS H 4.030 . 4.030 3.129 3.034 3.220 . 0 0 "[ . 1 . 2]" 1
407 1 38 HIS H 1 39 VAL HB 5.300 . 5.300 4.460 4.339 4.676 . 0 0 "[ . 1 . 2]" 1
408 1 34 ILE MG 1 38 HIS H 4.010 . 4.010 4.017 3.901 4.071 0.061 5 0 "[ . 1 . 2]" 1
409 1 47 PHE H 1 62 THR H 5.140 . 5.140 4.688 4.550 4.780 . 0 0 "[ . 1 . 2]" 1
410 1 71 MET H 1 72 LEU H 3.650 . 3.650 2.564 2.411 2.643 . 0 0 "[ . 1 . 2]" 1
411 1 61 SER HA 1 62 THR H 3.030 . 3.030 2.394 2.279 2.521 . 0 0 "[ . 1 . 2]" 1
412 1 61 SER HB2 1 62 THR H 4.070 . 4.070 3.839 2.500 4.089 0.019 6 0 "[ . 1 . 2]" 1
413 1 61 SER HB3 1 62 THR H 4.070 . 4.070 3.293 2.690 3.928 . 0 0 "[ . 1 . 2]" 1
414 1 67 LEU HA 1 71 MET H 4.130 . 4.130 4.065 3.895 4.178 0.048 1 0 "[ . 1 . 2]" 1
415 1 71 MET H 1 71 MET HG2 3.650 . 3.650 2.994 2.228 3.670 0.020 11 0 "[ . 1 . 2]" 1
416 1 71 MET H 1 71 MET HG3 3.650 . 3.650 2.958 2.105 3.692 0.042 2 0 "[ . 1 . 2]" 1
417 1 70 HIS HB3 1 71 MET H 3.720 . 3.720 2.551 2.366 2.743 . 0 0 "[ . 1 . 2]" 1
418 1 71 MET H 1 71 MET QB 3.320 . 3.320 2.515 2.365 2.801 . 0 0 "[ . 1 . 2]" 1
419 1 70 HIS HB2 1 71 MET H 4.220 . 4.220 3.894 3.770 4.012 . 0 0 "[ . 1 . 2]" 1
420 1 62 THR H 1 62 THR MG 3.180 . 3.180 2.592 2.376 2.857 . 0 0 "[ . 1 . 2]" 1
421 1 58 ASN H 1 59 THR H 3.820 . 3.820 2.513 2.383 2.673 . 0 0 "[ . 1 . 2]" 1
422 1 99 ARG H 1 101 VAL H 4.280 . 4.280 3.925 3.749 4.005 . 0 0 "[ . 1 . 2]" 1
423 1 96 GLY H 1 99 ARG H 5.140 . 5.140 5.064 4.921 5.163 0.023 10 0 "[ . 1 . 2]" 1
424 1 97 LEU H 1 99 ARG H 4.280 . 4.280 3.947 3.779 4.058 . 0 0 "[ . 1 . 2]" 1
425 1 48 VAL HA 1 59 THR H 3.860 . 3.860 3.917 3.883 3.944 0.084 7 0 "[ . 1 . 2]" 1
426 1 57 TYR HA 1 59 THR H 4.050 . 4.050 3.105 3.012 3.223 . 0 0 "[ . 1 . 2]" 1
427 1 59 THR H 1 59 THR HB 3.390 . 3.390 2.722 2.570 2.851 . 0 0 "[ . 1 . 2]" 1
428 1 99 ARG H 1 102 PRO HD2 4.310 . 4.310 4.235 4.121 4.316 0.006 2 0 "[ . 1 . 2]" 1
429 1 96 GLY HA2 1 99 ARG H 4.000 . 4.000 3.851 3.628 4.012 0.012 4 0 "[ . 1 . 2]" 1
430 1 99 ARG H 1 99 ARG QD 4.660 . 4.660 3.817 2.528 4.538 . 0 0 "[ . 1 . 2]" 1
431 1 99 ARG H 1 100 HIS HB3 5.020 . 5.020 4.175 4.070 4.296 . 0 0 "[ . 1 . 2]" 1
432 1 99 ARG H 1 100 HIS HB2 4.850 . 4.850 4.679 4.518 4.861 0.011 9 0 "[ . 1 . 2]" 1
433 1 99 ARG H 1 99 ARG QB 2.740 . 2.740 2.341 2.111 2.481 . 0 0 "[ . 1 . 2]" 1
434 1 48 VAL HB 1 59 THR H 4.700 . 4.700 4.239 3.710 4.778 0.078 8 0 "[ . 1 . 2]" 1
435 1 99 ARG H 1 99 ARG QG 4.290 . 4.290 3.307 2.486 4.141 . 0 0 "[ . 1 . 2]" 1
436 1 98 ALA MB 1 99 ARG H 3.140 . 3.140 2.941 2.673 3.130 . 0 0 "[ . 1 . 2]" 1
437 1 59 THR H 1 59 THR MG 3.910 . 3.910 3.873 3.808 3.915 0.005 18 0 "[ . 1 . 2]" 1
438 1 48 VAL MG2 1 59 THR H 4.910 . 4.910 2.843 1.918 4.897 . 0 0 "[ . 1 . 2]" 1
439 1 48 VAL MG1 1 59 THR H 4.910 . 4.910 4.075 2.191 4.926 0.016 10 0 "[ . 1 . 2]" 1
440 1 90 SER H 1 91 PHE QD 4.550 . 4.550 4.144 3.854 4.339 . 0 0 "[ . 1 . 2]" 1
441 1 64 GLN H 1 65 SER H 3.460 . 3.460 2.602 2.433 2.775 . 0 0 "[ . 1 . 2]" 1
442 1 90 SER H 1 91 PHE QE 4.010 . 4.010 4.076 3.940 4.133 0.123 3 0 "[ . 1 . 2]" 1
443 1 63 SER HA 1 65 SER H 4.140 . 4.140 3.691 3.327 3.944 . 0 0 "[ . 1 . 2]" 1
444 1 89 ALA HA 1 90 SER H 2.620 . 2.620 2.143 2.057 2.221 . 0 0 "[ . 1 . 2]" 1
445 1 65 SER H 1 65 SER QB 2.970 . 2.970 2.414 2.109 2.711 . 0 0 "[ . 1 . 2]" 1
446 1 64 GLN HG3 1 65 SER H 4.530 . 4.530 3.820 3.475 4.121 . 0 0 "[ . 1 . 2]" 1
447 1 64 GLN HB3 1 65 SER H 3.490 . 3.490 2.633 2.408 2.826 . 0 0 "[ . 1 . 2]" 1
448 1 64 GLN HB2 1 65 SER H 4.020 . 4.020 3.895 3.768 4.038 0.018 1 0 "[ . 1 . 2]" 1
449 1 89 ALA MB 1 90 SER H 3.700 . 3.700 3.278 2.920 3.573 . 0 0 "[ . 1 . 2]" 1
450 1 85 GLY QA 1 86 GLY H 3.300 . 3.300 2.209 2.102 2.852 . 0 0 "[ . 1 . 2]" 1
451 1 52 LYS HA 1 53 GLY H 2.770 . 2.770 2.040 1.938 2.160 . 0 0 "[ . 1 . 2]" 1
452 1 52 LYS HB2 1 53 GLY H 4.750 . 4.750 4.351 4.215 4.483 . 0 0 "[ . 1 . 2]" 1
453 1 52 LYS HB3 1 53 GLY H 3.920 . 3.920 3.526 3.124 3.662 . 0 0 "[ . 1 . 2]" 1
454 1 39 VAL HA 1 42 GLN HE22 4.720 . 4.720 4.515 3.161 4.779 0.059 16 0 "[ . 1 . 2]" 1
455 1 42 GLN HB2 1 42 GLN HE21 4.290 . 4.290 3.121 2.708 3.885 . 0 0 "[ . 1 . 2]" 1
456 1 42 GLN HB2 1 42 GLN HE22 4.290 . 4.290 3.893 3.648 4.251 . 0 0 "[ . 1 . 2]" 1
457 1 35 ARG H 1 36 SER H 3.580 . 3.580 2.573 2.436 2.682 . 0 0 "[ . 1 . 2]" 1
458 1 36 SER H 1 37 ILE H 3.700 . 3.700 2.601 2.497 2.725 . 0 0 "[ . 1 . 2]" 1
459 1 32 ASP HA 1 36 SER H 4.960 . 4.960 4.003 3.635 4.245 . 0 0 "[ . 1 . 2]" 1
460 1 36 SER H 1 36 SER QB 3.050 . 3.050 2.348 2.221 2.522 . 0 0 "[ . 1 . 2]" 1
461 1 36 SER H 1 39 VAL HB 5.430 . 5.430 4.808 4.647 4.962 . 0 0 "[ . 1 . 2]" 1
462 1 35 ARG QB 1 36 SER H 3.730 . 3.730 2.766 2.526 2.988 . 0 0 "[ . 1 . 2]" 1
463 1 34 ILE MG 1 36 SER H 4.310 . 4.310 4.409 4.366 4.475 0.165 20 0 "[ . 1 . 2]" 1
464 1 26 SER H 1 26 SER QB 3.850 . 3.850 2.461 2.192 2.615 . 0 0 "[ . 1 . 2]" 1
465 1 24 PHE HB2 1 26 SER H 3.970 . 3.970 3.760 3.287 3.996 0.026 17 0 "[ . 1 . 2]" 1
466 1 24 PHE HB3 1 26 SER H 3.970 . 3.970 2.712 2.483 2.897 . 0 0 "[ . 1 . 2]" 1
467 1 26 SER H 1 29 ASP QB 3.550 . 3.550 3.158 2.953 3.554 0.004 15 0 "[ . 1 . 2]" 1
468 1 64 GLN HA 1 64 GLN HE21 4.660 . 4.660 2.659 2.316 4.693 0.033 17 0 "[ . 1 . 2]" 1
469 1 39 VAL MG1 1 64 GLN HE21 4.450 . 4.450 2.613 2.257 3.132 . 0 0 "[ . 1 . 2]" 1
470 1 39 VAL MG1 1 64 GLN HE22 4.450 . 4.450 2.133 1.796 2.504 . 0 0 "[ . 1 . 2]" 1
471 1 25 ASN H 1 26 SER H 3.850 . 3.850 2.128 1.886 2.325 . 0 0 "[ . 1 . 2]" 1
472 1 24 PHE HA 1 26 SER H 3.930 . 3.930 3.806 3.650 3.960 0.030 5 0 "[ . 1 . 2]" 1
473 1 68 GLN HB2 1 68 GLN HE22 3.880 . 3.880 3.807 3.729 3.946 0.066 2 0 "[ . 1 . 2]" 1
474 1 75 SER H 1 76 GLY H 3.350 . 3.350 2.246 1.962 2.429 . 0 0 "[ . 1 . 2]" 1
475 1 73 THR H 1 75 SER H 4.790 . 4.790 4.452 4.226 4.707 . 0 0 "[ . 1 . 2]" 1
476 1 74 HIS H 1 75 SER H 3.210 . 3.210 2.420 2.247 2.640 . 0 0 "[ . 1 . 2]" 1
477 1 75 SER H 1 75 SER HB2 3.980 . 3.980 3.088 2.531 3.696 . 0 0 "[ . 1 . 2]" 1
478 1 75 SER H 1 76 GLY QA 4.440 . 4.440 4.157 3.845 4.329 . 0 0 "[ . 1 . 2]" 1
479 1 75 SER H 1 75 SER HB3 3.980 . 3.980 3.154 2.468 3.769 . 0 0 "[ . 1 . 2]" 1
480 1 68 GLN HB2 1 68 GLN HE21 3.310 . 3.310 2.806 2.690 3.376 0.066 2 0 "[ . 1 . 2]" 1
481 1 74 HIS HB2 1 75 SER H 4.010 . 4.010 2.548 2.388 2.880 . 0 0 "[ . 1 . 2]" 1
482 1 64 GLN HG3 1 68 GLN HE21 4.310 . 4.310 1.948 1.668 2.140 . 0 0 "[ . 1 . 2]" 1
483 1 68 GLN HB3 1 68 GLN HE21 4.570 . 4.570 3.860 3.766 4.171 . 0 0 "[ . 1 . 2]" 1
484 1 64 GLN HG3 1 68 GLN HE22 4.800 . 4.800 2.622 2.478 2.729 . 0 0 "[ . 1 . 2]" 1
485 1 68 GLN HB3 1 68 GLN HE22 5.130 . 5.130 4.357 4.271 4.465 . 0 0 "[ . 1 . 2]" 1
486 1 31 ALA MB 1 75 SER H 4.980 . 4.980 4.799 4.241 5.038 0.058 5 0 "[ . 1 . 2]" 1
487 1 74 HIS HB3 1 75 SER H 4.010 . 4.010 3.530 3.190 3.820 . 0 0 "[ . 1 . 2]" 1
488 1 39 VAL MG1 1 68 GLN HE22 5.500 . 5.500 4.288 3.751 4.799 . 0 0 "[ . 1 . 2]" 1
489 1 68 GLN HE22 1 83 VAL MG1 5.500 . 5.500 3.920 2.539 5.037 . 0 0 "[ . 1 . 2]" 1
490 1 68 GLN HE22 1 83 VAL MG2 5.500 . 5.500 4.437 2.584 5.512 0.012 4 0 "[ . 1 . 2]" 1
491 1 72 LEU HB2 1 73 THR H 4.500 . 4.500 3.930 3.793 4.126 . 0 0 "[ . 1 . 2]" 1
492 1 72 LEU HG 1 73 THR H 5.040 . 5.040 3.937 3.573 4.863 . 0 0 "[ . 1 . 2]" 1
493 1 95 GLY H 1 96 GLY H 4.280 . 4.280 3.002 2.802 3.158 . 0 0 "[ . 1 . 2]" 1
494 1 96 GLY H 1 98 ALA H 4.020 . 4.020 4.040 4.001 4.064 0.044 10 0 "[ . 1 . 2]" 1
495 1 72 LEU H 1 73 THR H 3.330 . 3.330 2.736 2.637 2.835 . 0 0 "[ . 1 . 2]" 1
496 1 96 GLY H 1 97 LEU H 3.400 . 3.400 2.529 2.426 2.686 . 0 0 "[ . 1 . 2]" 1
497 1 73 THR H 1 73 THR HB 3.820 . 3.820 3.267 2.147 3.690 . 0 0 "[ . 1 . 2]" 1
498 1 72 LEU HB3 1 73 THR H 4.500 . 4.500 2.688 2.471 2.978 . 0 0 "[ . 1 . 2]" 1
499 1 73 THR H 1 73 THR MG 3.090 . 3.090 2.623 2.150 3.418 0.328 14 0 "[ . 1 . 2]" 1
500 1 92 ALA H 1 93 SER H 3.580 . 3.580 2.411 2.193 2.590 . 0 0 "[ . 1 . 2]" 1
501 1 91 PHE HB3 1 93 SER H 3.120 . 3.120 2.531 2.205 2.944 . 0 0 "[ . 1 . 2]" 1
502 1 94 GLN HA 1 96 GLY H 4.530 . 4.530 4.318 4.006 4.555 0.025 7 0 "[ . 1 . 2]" 1
503 1 91 PHE HB2 1 93 SER H 3.440 . 3.440 3.243 2.826 3.474 0.034 1 0 "[ . 1 . 2]" 1
504 1 92 ALA MB 1 93 SER H 3.220 . 3.220 3.041 2.583 3.292 0.072 14 0 "[ . 1 . 2]" 1
505 1 78 LYS QD 1 93 SER H 5.490 . 5.490 5.156 4.651 5.525 0.035 15 0 "[ . 1 . 2]" 1
506 1 102 PRO HB3 1 103 THR H 4.470 . 4.470 4.433 4.396 4.482 0.012 20 0 "[ . 1 . 2]" 1
507 1 103 THR H 1 104 HIS H 3.270 . 3.270 2.402 2.326 2.515 . 0 0 "[ . 1 . 2]" 1
508 1 102 PRO HD3 1 103 THR H 4.110 . 4.110 4.001 3.955 4.045 . 0 0 "[ . 1 . 2]" 1
509 1 102 PRO HB2 1 103 THR H 4.470 . 4.470 3.782 3.716 3.922 . 0 0 "[ . 1 . 2]" 1
510 1 103 THR H 1 103 THR MG 3.000 . 3.000 2.091 1.987 2.231 . 0 0 "[ . 1 . 2]" 1
511 1 43 ARG H 1 44 GLY H 3.750 . 3.750 3.647 3.104 3.842 0.092 6 0 "[ . 1 . 2]" 1
512 1 44 GLY H 1 45 GLY H 3.940 . 3.940 2.231 1.968 2.595 . 0 0 "[ . 1 . 2]" 1
513 1 43 ARG HA 1 44 GLY H 3.180 . 3.180 2.348 2.085 2.910 . 0 0 "[ . 1 . 2]" 1
514 1 43 ARG HB2 1 44 GLY H 4.820 . 4.820 4.260 4.023 4.522 . 0 0 "[ . 1 . 2]" 1
515 1 43 ARG HB3 1 44 GLY H 4.820 . 4.820 4.426 4.048 4.649 . 0 0 "[ . 1 . 2]" 1
516 1 45 GLY H 1 105 PHE QE 4.500 . 4.500 3.754 3.049 4.289 . 0 0 "[ . 1 . 2]" 1
517 1 45 GLY H 1 46 VAL H 3.160 . 3.160 2.841 2.698 3.045 . 0 0 "[ . 1 . 2]" 1
518 1 44 GLY QA 1 45 GLY H 3.020 . 3.020 2.806 2.722 2.871 . 0 0 "[ . 1 . 2]" 1
519 1 58 ASN HB2 1 58 ASN HD21 3.510 . 3.510 2.238 1.975 2.875 . 0 0 "[ . 1 . 2]" 1
520 1 58 ASN HB2 1 58 ASN HD22 3.740 . 3.740 3.456 3.350 3.703 . 0 0 "[ . 1 . 2]" 1
521 1 45 GLY H 1 46 VAL MG1 5.500 . 5.500 5.088 4.931 5.237 . 0 0 "[ . 1 . 2]" 1
522 1 45 GLY H 1 46 VAL MG2 5.500 . 5.500 4.642 4.531 4.770 . 0 0 "[ . 1 . 2]" 1
523 1 94 GLN HB2 1 95 GLY H 4.600 . 4.600 3.502 2.996 4.143 . 0 0 "[ . 1 . 2]" 1
524 1 94 GLN HB3 1 95 GLY H 4.820 . 4.820 3.406 3.068 3.876 . 0 0 "[ . 1 . 2]" 1
525 1 40 ASP H 1 41 GLY H 3.590 . 3.590 2.540 2.423 2.677 . 0 0 "[ . 1 . 2]" 1
526 1 39 VAL H 1 41 GLY H 4.210 . 4.210 3.619 3.472 3.724 . 0 0 "[ . 1 . 2]" 1
527 1 40 ASP HB2 1 41 GLY H 4.410 . 4.410 4.101 3.764 4.335 . 0 0 "[ . 1 . 2]" 1
528 1 40 ASP HB3 1 41 GLY H 4.410 . 4.410 3.108 2.736 3.391 . 0 0 "[ . 1 . 2]" 1
529 1 39 VAL MG2 1 41 GLY H 5.500 . 5.500 4.969 4.883 5.089 . 0 0 "[ . 1 . 2]" 1
530 1 39 VAL MG1 1 41 GLY H 5.500 . 5.500 4.585 4.368 4.791 . 0 0 "[ . 1 . 2]" 1
531 1 50 LEU MD1 1 58 ASN HD21 4.490 . 4.490 2.135 1.902 2.753 . 0 0 "[ . 1 . 2]" 1
532 1 57 TYR QD 1 58 ASN HD21 4.500 . 4.500 3.851 3.594 4.421 . 0 0 "[ . 1 . 2]" 1
533 1 10 ASN H 1 11 ILE H 5.000 . 5.000 4.048 2.230 4.712 . 0 0 "[ . 1 . 2]" 1
534 1 12 ALA H 1 13 TYR HA 5.160 . 5.160 4.818 4.404 5.150 . 0 0 "[ . 1 . 2]" 1
535 1 12 ALA H 1 13 TYR QE 5.500 . 5.500 5.562 4.636 5.679 0.179 17 0 "[ . 1 . 2]" 1
536 1 13 TYR H 1 25 ASN HA 4.880 . 4.880 3.198 2.663 4.504 . 0 0 "[ . 1 . 2]" 1
537 1 11 ILE MG 1 13 TYR H 4.520 . 4.520 4.093 3.446 4.686 0.166 13 0 "[ . 1 . 2]" 1
538 1 11 ILE MG 1 14 ASN H 5.500 . 5.500 4.678 4.029 5.463 . 0 0 "[ . 1 . 2]" 1
539 1 24 PHE H 1 30 LEU HG 5.500 . 5.500 5.577 5.519 5.633 0.133 2 0 "[ . 1 . 2]" 1
540 1 16 CYS HB3 1 17 TRP H 4.780 . 4.780 4.162 4.080 4.244 . 0 0 "[ . 1 . 2]" 1
541 1 17 TRP HE3 1 18 ASP H 5.300 . 5.300 5.062 4.300 5.324 0.024 17 0 "[ . 1 . 2]" 1
542 1 16 CYS HA 1 18 ASP H 5.180 . 5.180 5.096 4.770 5.433 0.253 12 0 "[ . 1 . 2]" 1
543 1 18 ASP H 1 20 CYS HB3 5.500 . 5.500 5.451 5.187 5.631 0.131 13 0 "[ . 1 . 2]" 1
544 1 18 ASP H 1 50 LEU MD1 4.640 . 4.640 4.285 2.284 4.641 0.001 14 0 "[ . 1 . 2]" 1
545 1 18 ASP H 1 20 CYS H 5.440 . 5.440 4.566 4.169 5.306 . 0 0 "[ . 1 . 2]" 1
546 1 21 GLN H 1 21 GLN HB2 3.700 . 3.700 2.514 2.413 2.636 . 0 0 "[ . 1 . 2]" 1
547 1 22 ALA H 1 24 PHE QE 5.500 . 5.500 5.543 5.464 5.611 0.111 20 0 "[ . 1 . 2]" 1
548 1 23 CYS H 1 24 PHE HZ 4.920 . 4.920 4.935 4.651 4.997 0.077 4 0 "[ . 1 . 2]" 1
549 1 23 CYS H 1 24 PHE H 5.080 . 5.080 4.158 3.994 4.273 . 0 0 "[ . 1 . 2]" 1
550 1 77 ASP QB 1 78 LYS H 3.810 . 3.810 2.356 1.702 3.794 . 0 0 "[ . 1 . 2]" 1
551 1 24 PHE H 1 25 ASN H 5.240 . 5.240 4.383 4.212 4.443 . 0 0 "[ . 1 . 2]" 1
552 1 25 ASN H 1 29 ASP QB 4.430 . 4.430 4.179 3.800 4.456 0.026 17 0 "[ . 1 . 2]" 1
553 1 13 TYR QE 1 25 ASN H 5.500 . 5.500 5.522 5.319 5.575 0.075 1 0 "[ . 1 . 2]" 1
554 1 26 SER H 1 27 SER H 4.850 . 4.850 4.490 4.378 4.554 . 0 0 "[ . 1 . 2]" 1
555 1 27 SER H 1 28 PRO QG 4.660 . 4.660 3.905 3.777 4.064 . 0 0 "[ . 1 . 2]" 1
556 1 27 SER H 1 28 PRO HB3 5.500 . 5.500 5.594 5.574 5.613 0.113 3 0 "[ . 1 . 2]" 1
557 1 29 ASP H 1 31 ALA MB 5.010 . 5.010 4.562 4.282 4.775 . 0 0 "[ . 1 . 2]" 1
558 1 29 ASP H 1 31 ALA H 4.510 . 4.510 3.982 3.798 4.177 . 0 0 "[ . 1 . 2]" 1
559 1 30 LEU H 1 32 ASP H 4.410 . 4.410 4.201 4.032 4.349 . 0 0 "[ . 1 . 2]" 1
560 1 24 PHE HA 1 30 LEU H 5.500 . 5.500 5.548 5.521 5.585 0.085 15 0 "[ . 1 . 2]" 1
561 1 30 LEU H 1 34 ILE MD 5.410 . 5.410 5.311 5.145 5.388 . 0 0 "[ . 1 . 2]" 1
562 1 31 ALA H 1 34 ILE MD 4.560 . 4.560 4.148 3.774 4.358 . 0 0 "[ . 1 . 2]" 1
563 1 32 ASP H 1 34 ILE HB 5.500 . 5.500 5.029 4.710 5.407 . 0 0 "[ . 1 . 2]" 1
564 1 32 ASP H 1 35 ARG QB 5.500 . 5.500 4.738 4.489 4.939 . 0 0 "[ . 1 . 2]" 1
565 1 28 PRO HB2 1 32 ASP H 4.950 . 4.950 4.945 4.858 5.001 0.051 9 0 "[ . 1 . 2]" 1
566 1 30 LEU HA 1 32 ASP H 4.990 . 4.990 4.449 4.284 4.588 . 0 0 "[ . 1 . 2]" 1
567 1 28 PRO HA 1 32 ASP H 4.000 . 4.000 3.781 3.641 3.897 . 0 0 "[ . 1 . 2]" 1
568 1 29 ASP HA 1 32 ASP H 4.380 . 4.380 3.570 3.324 3.929 . 0 0 "[ . 1 . 2]" 1
569 1 29 ASP H 1 32 ASP H 4.750 . 4.750 4.556 4.376 4.739 . 0 0 "[ . 1 . 2]" 1
570 1 32 ASP H 1 35 ARG H 5.270 . 5.270 4.600 4.523 4.699 . 0 0 "[ . 1 . 2]" 1
571 1 33 HIS H 1 34 ILE HB 4.930 . 4.930 4.766 4.619 4.963 0.033 10 0 "[ . 1 . 2]" 1
572 1 24 PHE HZ 1 33 HIS H 5.500 . 5.500 5.422 5.206 5.573 0.073 12 0 "[ . 1 . 2]" 1
573 1 24 PHE QE 1 33 HIS H 5.140 . 5.140 4.869 4.680 5.059 . 0 0 "[ . 1 . 2]" 1
574 1 33 HIS H 1 35 ARG H 4.980 . 4.980 4.191 4.040 4.318 . 0 0 "[ . 1 . 2]" 1
575 1 32 ASP H 1 34 ILE H 5.010 . 5.010 4.184 4.024 4.337 . 0 0 "[ . 1 . 2]" 1
576 1 32 ASP QB 1 34 ILE H 4.760 . 4.760 4.786 4.655 4.852 0.092 17 0 "[ . 1 . 2]" 1
577 1 30 LEU HA 1 34 ILE H 4.730 . 4.730 4.115 4.028 4.324 . 0 0 "[ . 1 . 2]" 1
578 1 34 ILE H 1 38 HIS HD2 5.500 . 5.500 4.924 4.373 5.406 . 0 0 "[ . 1 . 2]" 1
579 1 34 ILE H 1 38 HIS H 5.500 . 5.500 5.257 5.171 5.337 . 0 0 "[ . 1 . 2]" 1
580 1 24 PHE QE 1 34 ILE H 5.500 . 5.500 5.459 5.308 5.538 0.038 20 0 "[ . 1 . 2]" 1
581 1 32 ASP HA 1 34 ILE H 4.780 . 4.780 4.618 4.419 4.784 0.004 6 0 "[ . 1 . 2]" 1
582 1 36 SER H 1 37 ILE MD 5.500 . 5.500 5.237 5.070 5.462 . 0 0 "[ . 1 . 2]" 1
583 1 34 ILE H 1 36 SER H 4.930 . 4.930 4.136 4.017 4.280 . 0 0 "[ . 1 . 2]" 1
584 1 36 SER H 1 40 ASP H 5.320 . 5.320 4.601 4.372 4.701 . 0 0 "[ . 1 . 2]" 1
585 1 36 SER H 1 38 HIS H 4.770 . 4.770 3.690 3.591 3.826 . 0 0 "[ . 1 . 2]" 1
586 1 38 HIS HD2 1 39 VAL H 5.190 . 5.190 4.662 4.510 4.854 . 0 0 "[ . 1 . 2]" 1
587 1 35 ARG QD 1 39 VAL H 4.430 . 4.430 4.375 4.112 4.547 0.117 20 0 "[ . 1 . 2]" 1
588 1 34 ILE HB 1 39 VAL H 5.500 . 5.500 5.417 5.333 5.513 0.013 12 0 "[ . 1 . 2]" 1
589 1 38 HIS H 1 40 ASP H 4.600 . 4.600 3.589 3.458 3.685 . 0 0 "[ . 1 . 2]" 1
590 1 35 ARG QB 1 40 ASP H 4.980 . 4.980 4.954 4.731 5.041 0.061 17 0 "[ . 1 . 2]" 1
591 1 35 ARG QG 1 40 ASP H 4.990 . 4.990 4.647 4.087 5.046 0.056 6 0 "[ . 1 . 2]" 1
592 1 38 HIS HB3 1 40 ASP H 5.500 . 5.500 5.559 5.519 5.590 0.090 6 0 "[ . 1 . 2]" 1
593 1 41 GLY H 1 42 GLN HB2 4.190 . 4.190 4.201 4.000 4.253 0.063 13 0 "[ . 1 . 2]" 1
594 1 41 GLY H 1 43 ARG QG 5.100 . 5.100 4.787 4.186 5.123 0.023 10 0 "[ . 1 . 2]" 1
595 1 37 ILE MG 1 41 GLY H 5.290 . 5.290 5.044 4.864 5.287 . 0 0 "[ . 1 . 2]" 1
596 1 42 GLN H 1 47 PHE HB3 5.500 . 5.500 5.411 4.949 5.566 0.066 13 0 "[ . 1 . 2]" 1
597 1 42 GLN H 1 47 PHE HA 5.500 . 5.500 5.430 5.119 5.587 0.087 7 0 "[ . 1 . 2]" 1
598 1 42 GLN HA 1 44 GLY H 4.390 . 4.390 3.986 3.235 4.419 0.029 6 0 "[ . 1 . 2]" 1
599 1 44 GLY H 1 46 VAL H 4.720 . 4.720 3.148 2.983 3.528 . 0 0 "[ . 1 . 2]" 1
600 1 44 GLY H 1 105 PHE QE 5.500 . 5.500 5.380 4.662 5.552 0.052 9 0 "[ . 1 . 2]" 1
601 1 45 GLY H 1 46 VAL HA 4.970 . 4.970 4.801 4.645 4.972 0.002 3 0 "[ . 1 . 2]" 1
602 1 45 GLY H 1 47 PHE QD 5.500 . 5.500 4.725 3.973 5.302 . 0 0 "[ . 1 . 2]" 1
603 1 45 GLY H 1 105 PHE HZ 5.500 . 5.500 4.877 4.178 5.522 0.022 15 0 "[ . 1 . 2]" 1
604 1 43 ARG H 1 45 GLY H 5.500 . 5.500 5.361 4.892 5.547 0.047 3 0 "[ . 1 . 2]" 1
605 1 46 VAL H 1 62 THR MG 5.480 . 5.480 4.661 4.430 5.025 . 0 0 "[ . 1 . 2]" 1
606 1 46 VAL H 1 60 PRO HB2 5.500 . 5.500 5.571 5.529 5.617 0.117 20 0 "[ . 1 . 2]" 1
607 1 43 ARG HA 1 46 VAL H 5.160 . 5.160 4.876 4.522 5.208 0.048 2 0 "[ . 1 . 2]" 1
608 1 46 VAL H 1 47 PHE HA 4.810 . 4.810 4.550 4.395 4.668 . 0 0 "[ . 1 . 2]" 1
609 1 47 PHE H 1 67 LEU MD2 5.500 . 5.500 4.772 4.105 5.168 . 0 0 "[ . 1 . 2]" 1
610 1 47 PHE H 1 62 THR MG 4.750 . 4.750 4.215 3.923 4.394 . 0 0 "[ . 1 . 2]" 1
611 1 47 PHE H 1 67 LEU MD1 5.500 . 5.500 5.388 4.605 5.684 0.184 16 0 "[ . 1 . 2]" 1
612 1 47 PHE H 1 62 THR HB 5.500 . 5.500 5.591 5.546 5.626 0.126 12 0 "[ . 1 . 2]" 1
613 1 42 GLN HB3 1 48 VAL H 4.500 . 4.500 3.174 2.816 3.834 . 0 0 "[ . 1 . 2]" 1
614 1 42 GLN QG 1 48 VAL H 4.920 . 4.920 2.218 1.581 3.717 . 0 0 "[ . 1 . 2]" 1
615 1 42 GLN HA 1 48 VAL H 5.100 . 5.100 4.827 4.387 5.240 0.140 9 0 "[ . 1 . 2]" 1
616 1 17 TRP HZ2 1 48 VAL H 5.500 . 5.500 5.266 4.591 5.575 0.075 19 0 "[ . 1 . 2]" 1
617 1 49 CYS H 1 50 LEU MD2 5.110 . 5.110 4.035 3.757 4.869 . 0 0 "[ . 1 . 2]" 1
618 1 48 VAL MG2 1 49 CYS H 4.250 . 4.250 3.144 2.540 4.311 0.061 20 0 "[ . 1 . 2]" 1
619 1 49 CYS H 1 58 ASN HA 4.980 . 4.980 4.890 4.530 5.051 0.071 8 0 "[ . 1 . 2]" 1
620 1 49 CYS H 1 57 TYR HA 5.020 . 5.020 3.654 2.911 4.043 . 0 0 "[ . 1 . 2]" 1
621 1 49 CYS H 1 59 THR H 4.700 . 4.700 3.497 3.140 3.625 . 0 0 "[ . 1 . 2]" 1
622 1 49 CYS H 1 58 ASN H 4.610 . 4.610 3.683 3.496 4.048 . 0 0 "[ . 1 . 2]" 1
623 1 50 LEU QB 1 51 TRP H 4.110 . 4.110 3.665 3.604 3.723 . 0 0 "[ . 1 . 2]" 1
624 1 17 TRP HA 1 51 TRP H 4.920 . 4.920 4.136 3.845 4.370 . 0 0 "[ . 1 . 2]" 1
625 1 52 LYS H 1 52 LYS QE 4.830 . 4.830 4.065 2.210 4.854 0.024 8 0 "[ . 1 . 2]" 1
626 1 52 LYS H 1 57 TYR QE 5.300 . 5.300 4.994 4.697 5.291 . 0 0 "[ . 1 . 2]" 1
627 1 52 LYS H 1 53 GLY H 4.710 . 4.710 4.325 4.233 4.541 . 0 0 "[ . 1 . 2]" 1
628 1 51 TRP H 1 52 LYS H 4.580 . 4.580 4.230 4.079 4.363 . 0 0 "[ . 1 . 2]" 1
629 1 53 GLY H 1 54 CYS QB 4.490 . 4.490 4.049 3.769 4.309 . 0 0 "[ . 1 . 2]" 1
630 1 53 GLY H 1 54 CYS HA 4.670 . 4.670 4.481 4.321 4.677 0.007 9 0 "[ . 1 . 2]" 1
631 1 53 GLY H 1 57 TYR QE 4.540 . 4.540 3.775 2.890 4.347 . 0 0 "[ . 1 . 2]" 1
632 1 53 GLY H 1 57 TYR QD 5.070 . 5.070 3.880 3.474 4.265 . 0 0 "[ . 1 . 2]" 1
633 1 55 LYS H 1 57 TYR H 4.930 . 4.930 4.325 4.125 4.506 . 0 0 "[ . 1 . 2]" 1
634 1 54 CYS H 1 55 LYS H 4.680 . 4.680 4.494 4.429 4.539 . 0 0 "[ . 1 . 2]" 1
635 1 56 VAL H 1 57 TYR QD 4.740 . 4.740 3.107 2.924 3.287 . 0 0 "[ . 1 . 2]" 1
636 1 54 CYS H 1 56 VAL H 5.050 . 5.050 4.713 4.570 4.866 . 0 0 "[ . 1 . 2]" 1
637 1 55 LYS QG 1 57 TYR H 5.420 . 5.420 5.295 4.560 5.523 0.103 8 0 "[ . 1 . 2]" 1
638 1 55 LYS QB 1 57 TYR H 5.500 . 5.500 5.217 4.989 5.365 . 0 0 "[ . 1 . 2]" 1
639 1 56 VAL HB 1 57 TYR H 4.450 . 4.450 4.304 4.214 4.402 . 0 0 "[ . 1 . 2]" 1
640 1 57 TYR H 1 57 TYR QE 4.730 . 4.730 3.961 3.815 4.102 . 0 0 "[ . 1 . 2]" 1
641 1 57 TYR H 1 59 THR H 5.500 . 5.500 5.296 4.869 5.493 . 0 0 "[ . 1 . 2]" 1
642 1 54 CYS H 1 57 TYR H 4.660 . 4.660 4.657 4.543 4.692 0.032 3 0 "[ . 1 . 2]" 1
643 1 50 LEU QB 1 58 ASN H 5.500 . 5.500 4.845 4.387 5.079 . 0 0 "[ . 1 . 2]" 1
644 1 57 TYR HB2 1 58 ASN H 4.360 . 4.360 2.346 2.149 2.511 . 0 0 "[ . 1 . 2]" 1
645 1 54 CYS QB 1 58 ASN H 5.500 . 5.500 5.242 5.058 5.410 . 0 0 "[ . 1 . 2]" 1
646 1 48 VAL HA 1 58 ASN H 5.160 . 5.160 4.907 4.709 5.185 0.025 6 0 "[ . 1 . 2]" 1
647 1 57 TYR QE 1 58 ASN H 5.500 . 5.500 5.196 5.020 5.412 . 0 0 "[ . 1 . 2]" 1
648 1 50 LEU MD2 1 59 THR H 5.060 . 5.060 4.991 4.207 5.116 0.056 2 0 "[ . 1 . 2]" 1
649 1 58 ASN HB3 1 59 THR H 4.870 . 4.870 4.146 4.004 4.222 . 0 0 "[ . 1 . 2]" 1
650 1 56 VAL HB 1 59 THR H 5.500 . 5.500 5.483 5.152 5.582 0.082 20 0 "[ . 1 . 2]" 1
651 1 57 TYR HB3 1 59 THR H 5.500 . 5.500 5.416 5.300 5.542 0.042 3 0 "[ . 1 . 2]" 1
652 1 58 ASN HB2 1 59 THR H 4.600 . 4.600 4.489 4.372 4.568 . 0 0 "[ . 1 . 2]" 1
653 1 59 THR H 1 60 PRO QD 3.860 . 3.860 3.834 3.695 3.924 0.064 7 0 "[ . 1 . 2]" 1
654 1 59 THR MG 1 61 SER H 5.240 . 5.240 5.010 4.544 5.273 0.033 6 0 "[ . 1 . 2]" 1
655 1 47 PHE HB2 1 61 SER H 4.430 . 4.430 3.693 3.494 3.916 . 0 0 "[ . 1 . 2]" 1
656 1 48 VAL HA 1 61 SER H 4.060 . 4.060 3.547 3.262 3.914 . 0 0 "[ . 1 . 2]" 1
657 1 47 PHE HA 1 61 SER H 5.020 . 5.020 4.455 4.309 4.618 . 0 0 "[ . 1 . 2]" 1
658 1 47 PHE QD 1 61 SER H 4.820 . 4.820 4.354 3.926 4.827 0.007 1 0 "[ . 1 . 2]" 1
659 1 61 SER H 1 62 THR H 4.820 . 4.820 4.380 4.303 4.432 . 0 0 "[ . 1 . 2]" 1
660 1 48 VAL H 1 61 SER H 5.090 . 5.090 4.678 4.494 4.899 . 0 0 "[ . 1 . 2]" 1
661 1 46 VAL HB 1 62 THR H 5.500 . 5.500 5.325 4.977 5.540 0.040 19 0 "[ . 1 . 2]" 1
662 1 46 VAL HA 1 62 THR H 4.790 . 4.790 4.657 4.332 4.840 0.050 8 0 "[ . 1 . 2]" 1
663 1 47 PHE QD 1 62 THR H 5.210 . 5.210 4.707 4.224 5.246 0.036 17 0 "[ . 1 . 2]" 1
664 1 64 GLN H 1 64 GLN HG3 4.680 . 4.680 4.435 4.302 4.533 . 0 0 "[ . 1 . 2]" 1
665 1 64 GLN H 1 64 GLN HG2 5.400 . 5.400 4.585 4.536 4.646 . 0 0 "[ . 1 . 2]" 1
666 1 47 PHE QD 1 64 GLN H 4.540 . 4.540 4.032 3.749 4.375 . 0 0 "[ . 1 . 2]" 1
667 1 65 SER H 1 68 GLN HB2 5.160 . 5.160 5.152 5.001 5.223 0.063 2 0 "[ . 1 . 2]" 1
668 1 65 SER H 1 67 LEU H 5.200 . 5.200 4.269 4.137 4.487 . 0 0 "[ . 1 . 2]" 1
669 1 66 TRP H 1 68 GLN HB2 5.010 . 5.010 5.023 4.973 5.053 0.043 12 0 "[ . 1 . 2]" 1
670 1 66 TRP H 1 68 GLN QG 5.500 . 5.500 5.389 4.933 5.523 0.023 7 0 "[ . 1 . 2]" 1
671 1 64 GLN HA 1 66 TRP H 4.830 . 4.830 4.251 4.033 4.412 . 0 0 "[ . 1 . 2]" 1
672 1 64 GLN H 1 66 TRP H 4.370 . 4.370 4.034 3.861 4.288 . 0 0 "[ . 1 . 2]" 1
673 1 64 GLN H 1 67 LEU H 5.500 . 5.500 4.967 4.706 5.305 . 0 0 "[ . 1 . 2]" 1
674 1 67 LEU H 1 70 HIS H 5.500 . 5.500 4.600 4.473 4.731 . 0 0 "[ . 1 . 2]" 1
675 1 67 LEU H 1 68 GLN HB2 5.060 . 5.060 4.718 4.646 4.795 . 0 0 "[ . 1 . 2]" 1
676 1 68 GLN H 1 70 HIS H 4.360 . 4.360 4.001 3.766 4.226 . 0 0 "[ . 1 . 2]" 1
677 1 67 LEU H 1 69 ARG H 4.830 . 4.830 4.075 3.850 4.289 . 0 0 "[ . 1 . 2]" 1
678 1 69 ARG H 1 72 LEU H 5.440 . 5.440 4.703 4.446 5.002 . 0 0 "[ . 1 . 2]" 1
679 1 68 GLN HB3 1 69 ARG H 3.760 . 3.760 3.633 3.436 3.771 0.011 20 0 "[ . 1 . 2]" 1
680 1 69 ARG H 1 69 ARG QG 4.210 . 4.210 3.893 2.237 4.074 . 0 0 "[ . 1 . 2]" 1
681 1 69 ARG QG 1 70 HIS H 4.460 . 4.460 3.838 3.452 4.332 . 0 0 "[ . 1 . 2]" 1
682 1 70 HIS H 1 71 MET HA 5.470 . 5.470 5.238 5.120 5.310 . 0 0 "[ . 1 . 2]" 1
683 1 69 ARG H 1 71 MET H 4.650 . 4.650 4.176 3.965 4.310 . 0 0 "[ . 1 . 2]" 1
684 1 71 MET H 1 74 HIS H 5.500 . 5.500 5.098 4.622 5.489 . 0 0 "[ . 1 . 2]" 1
685 1 71 MET H 1 74 HIS HD2 5.500 . 5.500 4.799 4.139 5.219 . 0 0 "[ . 1 . 2]" 1
686 1 72 LEU H 1 74 HIS H 4.450 . 4.450 3.947 3.736 4.133 . 0 0 "[ . 1 . 2]" 1
687 1 71 MET QB 1 72 LEU H 3.710 . 3.710 3.311 2.827 3.714 0.004 6 0 "[ . 1 . 2]" 1
688 1 71 MET H 1 73 THR H 4.730 . 4.730 4.363 4.035 4.563 . 0 0 "[ . 1 . 2]" 1
689 1 73 THR H 1 74 HIS HA 5.090 . 5.090 5.023 4.892 5.152 0.062 11 0 "[ . 1 . 2]" 1
690 1 71 MET QB 1 73 THR H 5.060 . 5.060 4.866 4.673 5.099 0.039 1 0 "[ . 1 . 2]" 1
691 1 73 THR HB 1 74 HIS H 4.330 . 4.330 3.872 2.790 4.333 0.003 15 0 "[ . 1 . 2]" 1
692 1 34 ILE HG12 1 75 SER H 5.500 . 5.500 4.742 4.134 5.468 . 0 0 "[ . 1 . 2]" 1
693 1 74 HIS HD2 1 75 SER H 5.500 . 5.500 5.206 4.946 5.518 0.018 7 0 "[ . 1 . 2]" 1
694 1 76 GLY H 1 77 ASP QB 4.910 . 4.910 4.473 3.977 4.838 . 0 0 "[ . 1 . 2]" 1
695 1 74 HIS H 1 76 GLY H 4.380 . 4.380 3.522 3.208 3.845 . 0 0 "[ . 1 . 2]" 1
696 1 76 GLY QA 1 78 LYS H 5.500 . 5.500 5.497 4.405 5.685 0.185 11 0 "[ . 1 . 2]" 1
697 1 80 PHE H 1 90 SER HA 4.640 . 4.640 4.194 4.025 4.368 . 0 0 "[ . 1 . 2]" 1
698 1 80 PHE H 1 97 LEU MD1 4.550 . 4.550 4.257 3.993 4.506 . 0 0 "[ . 1 . 2]" 1
699 1 80 PHE H 1 80 PHE QE 5.190 . 5.190 4.582 4.379 4.847 . 0 0 "[ . 1 . 2]" 1
700 1 81 LYS H 1 90 SER HB2 5.500 . 5.500 5.291 4.553 5.596 0.096 8 0 "[ . 1 . 2]" 1
701 1 81 LYS H 1 90 SER HB3 5.500 . 5.500 4.428 3.852 5.255 . 0 0 "[ . 1 . 2]" 1
702 1 82 CYS H 1 89 ALA MB 3.680 . 3.680 3.308 2.991 3.692 0.012 10 0 "[ . 1 . 2]" 1
703 1 82 CYS H 1 97 LEU MD1 3.930 . 3.930 3.279 2.990 3.541 . 0 0 "[ . 1 . 2]" 1
704 1 82 CYS H 1 90 SER H 5.010 . 5.010 4.836 4.390 5.030 0.020 13 0 "[ . 1 . 2]" 1
705 1 83 VAL H 1 84 VAL MG1 5.500 . 5.500 5.543 5.411 5.584 0.084 16 0 "[ . 1 . 2]" 1
706 1 82 CYS HB3 1 83 VAL H 4.390 . 4.390 3.720 3.510 3.861 . 0 0 "[ . 1 . 2]" 1
707 1 83 VAL H 1 84 VAL HA 5.020 . 5.020 4.875 4.738 5.026 0.006 5 0 "[ . 1 . 2]" 1
708 1 75 SER H 1 77 ASP H 5.380 . 5.380 4.339 3.696 5.095 . 0 0 "[ . 1 . 2]" 1
709 1 84 VAL H 1 87 CYS H 4.670 . 4.670 4.584 4.395 4.697 0.027 16 0 "[ . 1 . 2]" 1
710 1 84 VAL H 1 104 HIS HD2 5.060 . 5.060 4.880 4.484 5.083 0.023 3 0 "[ . 1 . 2]" 1
711 1 86 GLY H 1 87 CYS HB3 5.210 . 5.210 4.398 4.074 4.692 . 0 0 "[ . 1 . 2]" 1
712 1 86 GLY H 1 87 CYS HB2 4.890 . 4.890 4.767 4.154 4.911 0.021 19 0 "[ . 1 . 2]" 1
713 1 84 VAL MG2 1 87 CYS H 4.690 . 4.690 4.625 4.284 4.741 0.051 1 0 "[ . 1 . 2]" 1
714 1 88 ASN H 1 89 ALA MB 4.400 . 4.400 4.203 4.103 4.352 . 0 0 "[ . 1 . 2]" 1
715 1 84 VAL HB 1 88 ASN H 5.500 . 5.500 5.642 5.573 5.700 0.200 6 0 "[ . 1 . 2]" 1
716 1 88 ASN H 1 89 ALA HA 5.290 . 5.290 5.144 4.955 5.317 0.027 9 0 "[ . 1 . 2]" 1
717 1 81 LYS HA 1 90 SER H 4.400 . 4.400 4.292 3.995 4.475 0.075 1 0 "[ . 1 . 2]" 1
718 1 90 SER H 1 91 PHE H 4.520 . 4.520 4.257 4.064 4.373 . 0 0 "[ . 1 . 2]" 1
719 1 90 SER H 1 91 PHE HZ 5.290 . 5.290 5.225 4.902 5.323 0.033 18 0 "[ . 1 . 2]" 1
720 1 91 PHE H 1 92 ALA H 4.930 . 4.930 4.377 4.289 4.480 . 0 0 "[ . 1 . 2]" 1
721 1 95 GLY H 1 98 ALA MB 4.640 . 4.640 4.484 4.138 4.664 0.024 6 0 "[ . 1 . 2]" 1
722 1 94 GLN QG 1 95 GLY H 4.930 . 4.930 4.390 4.118 4.593 . 0 0 "[ . 1 . 2]" 1
723 1 99 ARG H 1 100 HIS HA 5.130 . 5.130 4.884 4.832 4.928 . 0 0 "[ . 1 . 2]" 1
724 1 97 LEU MD2 1 99 ARG H 4.760 . 4.760 4.746 4.436 4.829 0.069 11 0 "[ . 1 . 2]" 1
725 1 100 HIS H 1 101 VAL HB 4.510 . 4.510 4.482 4.372 4.533 0.023 18 0 "[ . 1 . 2]" 1
726 1 98 ALA H 1 100 HIS H 4.500 . 4.500 3.968 3.865 4.118 . 0 0 "[ . 1 . 2]" 1
727 1 96 GLY HA2 1 100 HIS H 5.290 . 5.290 4.896 4.661 5.116 . 0 0 "[ . 1 . 2]" 1
728 1 100 HIS H 1 101 VAL HA 5.500 . 5.500 4.966 4.890 5.026 . 0 0 "[ . 1 . 2]" 1
729 1 100 HIS H 1 103 THR H 5.250 . 5.250 5.253 5.192 5.305 0.055 9 0 "[ . 1 . 2]" 1
730 1 101 VAL MG2 1 103 THR H 5.000 . 5.000 5.099 5.074 5.120 0.120 17 0 "[ . 1 . 2]" 1
731 1 102 PRO HD2 1 103 THR H 4.040 . 4.040 2.875 2.777 2.960 . 0 0 "[ . 1 . 2]" 1
732 1 84 VAL MG2 1 104 HIS H 4.780 . 4.780 4.552 4.396 4.669 . 0 0 "[ . 1 . 2]" 1
733 1 104 HIS H 1 105 PHE HB2 4.650 . 4.650 4.342 4.244 4.497 . 0 0 "[ . 1 . 2]" 1
734 1 104 HIS H 1 106 SER H 4.660 . 4.660 3.665 3.391 4.268 . 0 0 "[ . 1 . 2]" 1
735 1 101 VAL MG1 1 105 PHE H 4.820 . 4.820 4.242 4.005 4.691 . 0 0 "[ . 1 . 2]" 1
736 1 102 PRO HB3 1 105 PHE H 5.500 . 5.500 5.326 5.040 5.506 0.006 19 0 "[ . 1 . 2]" 1
737 1 102 PRO HB2 1 105 PHE H 5.500 . 5.500 5.064 4.822 5.324 . 0 0 "[ . 1 . 2]" 1
738 1 104 HIS HD2 1 105 PHE H 4.710 . 4.710 4.645 4.348 4.752 0.042 18 0 "[ . 1 . 2]" 1
739 1 105 PHE QD 1 106 SER H 4.540 . 4.540 4.379 4.024 4.584 0.044 9 0 "[ . 1 . 2]" 1
740 1 108 GLN HB3 1 109 ASN H 5.500 . 5.500 3.846 2.449 4.585 . 0 0 "[ . 1 . 2]" 1
741 1 108 GLN HB2 1 109 ASN H 5.500 . 5.500 3.765 2.235 4.582 . 0 0 "[ . 1 . 2]" 1
742 1 17 TRP HE1 1 50 LEU QB 4.210 . 4.210 2.773 2.285 3.060 . 0 0 "[ . 1 . 2]" 1
743 1 17 TRP HE1 1 50 LEU HA 4.740 . 4.740 4.729 4.579 4.780 0.040 13 0 "[ . 1 . 2]" 1
744 1 17 TRP HA 1 17 TRP HE1 5.190 . 5.190 5.090 4.809 5.207 0.017 18 0 "[ . 1 . 2]" 1
745 1 66 TRP HE1 1 70 HIS HB2 4.670 . 4.670 3.966 3.725 4.437 . 0 0 "[ . 1 . 2]" 1
746 1 66 TRP HE1 1 70 HIS HB3 5.310 . 5.310 5.267 4.745 5.349 0.039 20 0 "[ . 1 . 2]" 1
747 1 66 TRP HE1 1 67 LEU HA 5.500 . 5.500 5.335 5.072 5.518 0.018 4 0 "[ . 1 . 2]" 1
748 1 66 TRP HA 1 66 TRP HE1 5.500 . 5.500 5.517 5.235 5.627 0.127 14 0 "[ . 1 . 2]" 1
749 1 34 ILE MD 1 51 TRP HE1 5.070 . 5.070 3.705 3.407 5.238 0.168 2 0 "[ . 1 . 2]" 1
750 1 51 TRP QB 1 51 TRP HE1 4.780 . 4.780 4.458 4.423 4.609 . 0 0 "[ . 1 . 2]" 1
751 1 16 CYS HA 1 51 TRP HE1 4.540 . 4.540 4.629 4.605 4.659 0.119 8 0 "[ . 1 . 2]" 1
752 1 50 LEU MD1 1 58 ASN HD22 4.600 . 4.600 2.904 2.632 3.800 . 0 0 "[ . 1 . 2]" 1
753 1 50 LEU HG 1 58 ASN HD22 5.500 . 5.500 5.211 4.968 5.520 0.020 9 0 "[ . 1 . 2]" 1
754 1 58 ASN HA 1 58 ASN HD22 5.070 . 5.070 3.665 3.315 4.038 . 0 0 "[ . 1 . 2]" 1
755 1 50 LEU HA 1 58 ASN HD21 5.260 . 5.260 4.095 3.764 4.538 . 0 0 "[ . 1 . 2]" 1
756 1 58 ASN H 1 58 ASN HD22 5.330 . 5.330 5.433 5.360 5.498 0.168 8 0 "[ . 1 . 2]" 1
757 1 39 VAL MG1 1 68 GLN HE21 4.320 . 4.320 3.862 3.406 4.208 . 0 0 "[ . 1 . 2]" 1
758 1 35 ARG QD 1 68 GLN HE21 5.490 . 5.490 5.427 4.982 5.568 0.078 7 0 "[ . 1 . 2]" 1
759 1 68 GLN HA 1 68 GLN HE21 4.930 . 4.930 4.830 4.759 4.943 0.013 2 0 "[ . 1 . 2]" 1
760 1 65 SER HA 1 68 GLN HE21 4.650 . 4.650 2.375 1.805 2.948 . 0 0 "[ . 1 . 2]" 1
761 1 94 GLN HE21 1 97 LEU MD2 4.450 . 4.450 3.079 2.340 4.458 0.008 5 0 "[ . 1 . 2]" 1
762 1 64 GLN HA 1 68 GLN HE22 5.500 . 5.500 5.473 5.296 5.544 0.044 17 0 "[ . 1 . 2]" 1
763 1 68 GLN HE22 1 83 VAL HB 5.500 . 5.500 4.558 3.368 5.556 0.056 14 0 "[ . 1 . 2]" 1
764 1 35 ARG QD 1 68 GLN HE22 5.500 . 5.500 5.100 4.508 5.497 . 0 0 "[ . 1 . 2]" 1
765 1 65 SER QB 1 68 GLN HE22 5.140 . 5.140 4.668 4.123 5.158 0.018 7 0 "[ . 1 . 2]" 1
766 1 64 GLN HA 1 68 GLN HE21 4.690 . 4.690 4.084 3.982 4.198 . 0 0 "[ . 1 . 2]" 1
767 1 64 GLN HB2 1 64 GLN HE21 4.630 . 4.630 3.869 3.709 4.403 . 0 0 "[ . 1 . 2]" 1
768 1 64 GLN HE21 1 68 GLN QG 4.840 . 4.840 2.469 1.989 3.510 . 0 0 "[ . 1 . 2]" 1
769 1 64 GLN HE22 1 68 GLN QG 4.840 . 4.840 3.557 2.704 4.048 . 0 0 "[ . 1 . 2]" 1
770 1 64 GLN HA 1 64 GLN HE22 4.660 . 4.660 3.356 3.131 4.522 . 0 0 "[ . 1 . 2]" 1
771 1 65 SER H 1 68 GLN HE21 5.150 . 5.150 3.870 3.559 4.204 . 0 0 "[ . 1 . 2]" 1
772 1 68 GLN H 1 68 GLN HE21 5.390 . 5.390 3.501 3.319 3.746 . 0 0 "[ . 1 . 2]" 1
773 1 64 GLN H 1 68 GLN HE21 5.500 . 5.500 5.424 5.269 5.532 0.032 1 0 "[ . 1 . 2]" 1
774 1 11 ILE MG 1 14 ASN HD22 5.500 . 5.500 4.961 3.010 5.563 0.063 2 0 "[ . 1 . 2]" 1
775 1 12 ALA MB 1 14 ASN HD22 4.960 . 4.960 4.093 2.179 4.986 0.026 9 0 "[ . 1 . 2]" 1
776 1 11 ILE MG 1 14 ASN HD21 5.500 . 5.500 4.714 3.390 5.227 . 0 0 "[ . 1 . 2]" 1
777 1 12 ALA MB 1 14 ASN HD21 4.960 . 4.960 3.518 2.748 4.661 . 0 0 "[ . 1 . 2]" 1
778 1 19 GLN HA 1 21 GLN HE22 5.120 . 5.120 4.356 3.020 5.133 0.013 1 0 "[ . 1 . 2]" 1
779 1 19 GLN HA 1 21 GLN HE21 5.120 . 5.120 3.621 2.481 4.726 . 0 0 "[ . 1 . 2]" 1
780 1 39 VAL HA 1 42 GLN HE21 4.720 . 4.720 3.923 2.999 4.575 . 0 0 "[ . 1 . 2]" 1
781 1 42 GLN HA 1 42 GLN HE21 5.500 . 5.500 4.585 4.214 4.783 . 0 0 "[ . 1 . 2]" 1
782 1 17 TRP HZ2 1 42 GLN HE21 4.000 . 4.000 3.019 1.982 3.747 . 0 0 "[ . 1 . 2]" 1
783 1 42 GLN HA 1 42 GLN HE22 5.500 . 5.500 5.014 4.242 5.702 0.202 5 0 "[ . 1 . 2]" 1
784 1 14 ASN H 1 14 ASN HB3 3.670 . 3.670 3.208 2.793 3.683 0.013 2 0 "[ . 1 . 2]" 1
785 1 14 ASN H 1 14 ASN HB2 3.670 . 3.670 3.132 2.395 3.701 0.031 6 0 "[ . 1 . 2]" 1
786 1 13 TYR QB 1 14 ASN H 4.710 . 4.710 3.655 3.560 3.850 . 0 0 "[ . 1 . 2]" 1
787 1 24 PHE H 1 30 LEU MD1 4.850 . 4.850 2.644 2.544 2.804 . 0 0 "[ . 1 . 2]" 1
788 1 19 GLN H 1 19 GLN HE21 5.070 . 5.070 2.886 1.916 3.695 . 0 0 "[ . 1 . 2]" 1
789 1 19 GLN H 1 20 CYS HB2 5.110 . 5.110 4.700 3.514 5.167 0.057 1 0 "[ . 1 . 2]" 1
790 1 19 GLN H 1 19 GLN HE22 5.070 . 5.070 3.757 3.085 5.080 0.010 19 0 "[ . 1 . 2]" 1
791 1 20 CYS H 1 22 ALA MB 5.500 . 5.500 5.631 5.537 5.708 0.208 4 0 "[ . 1 . 2]" 1
792 1 21 GLN H 1 22 ALA HA 5.500 . 5.500 5.155 4.724 5.455 . 0 0 "[ . 1 . 2]" 1
793 1 89 ALA H 1 91 PHE QE 5.500 . 5.500 5.327 4.892 5.566 0.066 15 0 "[ . 1 . 2]" 1
794 1 89 ALA H 1 100 HIS HD2 5.500 . 5.500 5.493 5.383 5.545 0.045 16 0 "[ . 1 . 2]" 1
795 1 37 ILE H 1 38 HIS HD2 4.830 . 4.830 3.315 3.058 3.582 . 0 0 "[ . 1 . 2]" 1
796 1 37 ILE H 1 40 ASP H 4.710 . 4.710 4.588 4.453 4.722 0.012 6 0 "[ . 1 . 2]" 1
797 1 13 TYR H 1 23 CYS HA 5.500 . 5.500 4.371 3.780 5.461 . 0 0 "[ . 1 . 2]" 1
798 1 17 TRP HE1 1 42 GLN QG 5.060 . 5.060 4.194 3.680 4.742 . 0 0 "[ . 1 . 2]" 1
799 1 50 LEU HA 1 57 TYR QE 4.960 . 4.960 4.374 3.980 4.620 . 0 0 "[ . 1 . 2]" 1
800 1 11 ILE MG 1 12 ALA HA 4.490 . 4.490 3.953 3.540 4.500 0.010 12 0 "[ . 1 . 2]" 1
801 1 98 ALA HA 1 102 PRO HD3 4.610 . 4.610 3.410 2.886 3.609 . 0 0 "[ . 1 . 2]" 1
802 1 101 VAL HB 1 102 PRO HD2 3.580 . 3.580 3.176 3.064 3.276 . 0 0 "[ . 1 . 2]" 1
803 1 101 VAL HB 1 102 PRO HD3 3.790 . 3.790 2.486 2.305 2.659 . 0 0 "[ . 1 . 2]" 1
804 1 101 VAL MG2 1 102 PRO HD2 4.370 . 4.370 3.977 3.884 4.086 . 0 0 "[ . 1 . 2]" 1
805 1 82 CYS HB2 1 100 HIS HD2 4.150 . 4.150 3.171 2.872 3.446 . 0 0 "[ . 1 . 2]" 1
806 1 77 ASP HA 1 79 PRO HD2 3.990 . 3.990 3.632 2.857 4.129 0.139 17 0 "[ . 1 . 2]" 1
807 1 78 LYS QD 1 79 PRO HD3 4.350 . 4.350 4.094 3.487 4.457 0.107 10 0 "[ . 1 . 2]" 1
808 1 82 CYS HB3 1 89 ALA MB 4.380 . 4.380 3.508 3.266 3.717 . 0 0 "[ . 1 . 2]" 1
809 1 89 ALA MB 1 100 HIS HB3 4.850 . 4.850 3.882 3.541 4.268 . 0 0 "[ . 1 . 2]" 1
810 1 82 CYS HB2 1 89 ALA MB 3.650 . 3.650 2.068 1.937 2.226 . 0 0 "[ . 1 . 2]" 1
811 1 14 ASN HA 1 23 CYS HB2 4.440 . 4.440 3.713 3.113 4.563 0.123 7 0 "[ . 1 . 2]" 1
812 1 78 LYS QD 1 79 PRO HD2 4.780 . 4.780 4.793 4.582 4.900 0.120 14 0 "[ . 1 . 2]" 1
813 1 14 ASN HA 1 23 CYS HB3 4.440 . 4.440 2.914 2.145 4.409 . 0 0 "[ . 1 . 2]" 1
814 1 56 VAL HB 1 59 THR HB 3.890 . 3.890 3.662 3.257 3.914 0.024 10 0 "[ . 1 . 2]" 1
815 1 52 LYS HB3 1 52 LYS QD 3.530 . 3.530 3.160 2.446 3.528 . 0 0 "[ . 1 . 2]" 1
816 1 36 SER HA 1 37 ILE MD 5.500 . 5.500 5.147 4.355 5.637 0.137 18 0 "[ . 1 . 2]" 1
817 1 47 PHE HB2 1 67 LEU MD1 4.090 . 4.090 3.325 2.459 3.916 . 0 0 "[ . 1 . 2]" 1
818 1 99 ARG HA 1 102 PRO HG2 4.320 . 4.320 3.312 3.053 3.508 . 0 0 "[ . 1 . 2]" 1
819 1 59 THR HA 1 60 PRO HG3 4.640 . 4.640 4.413 4.313 4.522 . 0 0 "[ . 1 . 2]" 1
820 1 69 ARG HA 1 72 LEU HG 5.310 . 5.310 5.006 4.648 5.325 0.015 12 0 "[ . 1 . 2]" 1
821 1 72 LEU HG 1 73 THR HA 5.500 . 5.500 3.863 3.448 5.473 . 0 0 "[ . 1 . 2]" 1
822 1 30 LEU HA 1 30 LEU MD1 4.540 . 4.540 2.139 2.086 2.226 . 0 0 "[ . 1 . 2]" 1
823 1 82 CYS HA 1 97 LEU MD2 4.440 . 4.440 4.046 3.641 4.369 . 0 0 "[ . 1 . 2]" 1
824 1 97 LEU HB3 1 97 LEU MD2 3.630 . 3.630 2.092 2.043 2.174 . 0 0 "[ . 1 . 2]" 1
825 1 80 PHE QD 1 97 LEU MD2 4.280 . 4.280 3.577 2.978 4.222 . 0 0 "[ . 1 . 2]" 1
826 1 80 PHE HA 1 97 LEU MD2 5.040 . 5.040 4.507 4.165 5.068 0.028 2 0 "[ . 1 . 2]" 1
827 1 80 PHE HB2 1 97 LEU MD2 4.280 . 4.280 3.004 2.362 3.815 . 0 0 "[ . 1 . 2]" 1
828 1 80 PHE HB3 1 97 LEU MD2 4.430 . 4.430 2.371 2.013 3.099 . 0 0 "[ . 1 . 2]" 1
829 1 96 GLY HA3 1 99 ARG QB 4.920 . 4.920 4.642 4.344 4.932 0.012 3 0 "[ . 1 . 2]" 1
830 1 96 GLY HA2 1 99 ARG QB 4.160 . 4.160 3.255 2.975 3.535 . 0 0 "[ . 1 . 2]" 1
831 1 34 ILE HA 1 38 HIS HB2 4.240 . 4.240 2.388 2.209 2.556 . 0 0 "[ . 1 . 2]" 1
832 1 81 LYS HA 1 90 SER HB2 4.270 . 4.270 3.842 3.460 4.175 . 0 0 "[ . 1 . 2]" 1
833 1 81 LYS HA 1 90 SER HB3 4.270 . 4.270 2.817 2.393 3.094 . 0 0 "[ . 1 . 2]" 1
834 1 38 HIS HA 1 41 GLY HA3 4.310 . 4.310 3.602 3.188 4.155 . 0 0 "[ . 1 . 2]" 1
835 1 102 PRO HA 1 105 PHE QD 4.020 . 4.020 3.061 2.165 3.835 . 0 0 "[ . 1 . 2]" 1
836 1 43 ARG HA 1 44 GLY QA 4.490 . 4.490 3.979 3.847 4.263 . 0 0 "[ . 1 . 2]" 1
837 1 76 GLY QA 1 77 ASP HA 4.410 . 4.410 3.967 3.862 4.048 . 0 0 "[ . 1 . 2]" 1
838 1 17 TRP HZ2 1 50 LEU HG 5.010 . 5.010 4.766 4.476 5.046 0.036 8 0 "[ . 1 . 2]" 1
839 1 18 ASP HA 1 50 LEU HG 4.530 . 4.530 4.317 3.506 4.735 0.205 12 0 "[ . 1 . 2]" 1
840 1 18 ASP QB 1 50 LEU HG 3.840 . 3.840 2.312 1.876 3.297 . 0 0 "[ . 1 . 2]" 1
841 1 47 PHE HB2 1 67 LEU MD2 4.090 . 4.090 2.808 2.172 3.388 . 0 0 "[ . 1 . 2]" 1
842 1 39 VAL MG2 1 67 LEU MD2 4.390 . 4.390 2.986 2.149 4.409 0.019 16 0 "[ . 1 . 2]" 1
843 1 79 PRO HA 1 80 PHE HB2 4.900 . 4.900 4.600 4.484 4.716 . 0 0 "[ . 1 . 2]" 1
844 1 73 THR HA 1 73 THR MG 3.240 . 3.240 2.344 2.114 3.239 . 0 0 "[ . 1 . 2]" 1
845 1 82 CYS HA 1 101 VAL MG2 4.230 . 4.230 2.960 2.568 3.342 . 0 0 "[ . 1 . 2]" 1
846 1 98 ALA HA 1 101 VAL MG2 3.840 . 3.840 3.588 2.848 3.867 0.027 15 0 "[ . 1 . 2]" 1
847 1 101 VAL HA 1 101 VAL MG2 3.280 . 3.280 2.211 2.170 2.249 . 0 0 "[ . 1 . 2]" 1
848 1 97 LEU HA 1 101 VAL MG2 4.350 . 4.350 3.637 3.389 3.845 . 0 0 "[ . 1 . 2]" 1
849 1 101 VAL MG2 1 102 PRO HD3 4.620 . 4.620 3.989 3.848 4.125 . 0 0 "[ . 1 . 2]" 1
850 1 52 LYS HB3 1 52 LYS QE 4.310 . 4.310 3.784 1.983 4.395 0.085 17 0 "[ . 1 . 2]" 1
851 1 64 GLN HG3 1 101 VAL MG2 4.870 . 4.870 3.586 3.135 4.085 . 0 0 "[ . 1 . 2]" 1
852 1 97 LEU HB3 1 101 VAL MG2 5.140 . 5.140 4.260 4.082 4.418 . 0 0 "[ . 1 . 2]" 1
853 1 64 GLN HG2 1 101 VAL MG2 4.400 . 4.400 3.416 2.905 3.931 . 0 0 "[ . 1 . 2]" 1
854 1 97 LEU HG 1 101 VAL MG2 3.460 . 3.460 1.975 1.841 2.131 . 0 0 "[ . 1 . 2]" 1
855 1 84 VAL MG2 1 101 VAL MG2 4.530 . 4.530 3.974 3.732 4.257 . 0 0 "[ . 1 . 2]" 1
856 1 48 VAL HA 1 60 PRO HA 4.160 . 4.160 2.615 2.135 2.947 . 0 0 "[ . 1 . 2]" 1
857 1 100 HIS HB3 1 101 VAL MG2 4.360 . 4.360 3.333 3.196 3.528 . 0 0 "[ . 1 . 2]" 1
858 1 24 PHE HB2 1 29 ASP QB 4.260 . 4.260 3.459 3.181 3.852 . 0 0 "[ . 1 . 2]" 1
859 1 48 VAL HB 1 60 PRO HA 3.740 . 3.740 2.669 1.924 4.010 0.270 11 0 "[ . 1 . 2]" 1
860 1 31 ALA MB 1 75 SER HB2 4.400 . 4.400 2.512 1.989 3.845 . 0 0 "[ . 1 . 2]" 1
861 1 31 ALA MB 1 75 SER HB3 4.400 . 4.400 2.981 2.206 3.687 . 0 0 "[ . 1 . 2]" 1
862 1 34 ILE MD 1 75 SER HB2 4.470 . 4.470 3.938 2.637 4.528 0.058 2 0 "[ . 1 . 2]" 1
863 1 34 ILE MD 1 75 SER HB3 4.470 . 4.470 3.179 2.434 4.494 0.024 9 0 "[ . 1 . 2]" 1
864 1 33 HIS HA 1 36 SER QB 3.300 . 3.300 2.830 2.153 3.384 0.084 5 0 "[ . 1 . 2]" 1
865 1 36 SER QB 1 37 ILE MD 4.120 . 4.120 3.516 3.125 3.919 . 0 0 "[ . 1 . 2]" 1
866 1 43 ARG HA 1 43 ARG HD2 5.500 . 5.500 4.710 2.979 5.527 0.027 10 0 "[ . 1 . 2]" 1
867 1 43 ARG HA 1 43 ARG HD3 5.500 . 5.500 4.783 2.266 5.517 0.017 15 0 "[ . 1 . 2]" 1
868 1 99 ARG HA 1 99 ARG QD 4.150 . 4.150 2.193 1.893 3.695 . 0 0 "[ . 1 . 2]" 1
869 1 69 ARG HA 1 69 ARG HD2 5.390 . 5.390 3.556 1.991 4.641 . 0 0 "[ . 1 . 2]" 1
870 1 69 ARG HA 1 69 ARG HD3 5.390 . 5.390 3.924 2.137 4.822 . 0 0 "[ . 1 . 2]" 1
871 1 99 ARG QB 1 99 ARG QD 3.210 . 3.210 2.545 2.134 2.940 . 0 0 "[ . 1 . 2]" 1
872 1 99 ARG QD 1 102 PRO HD2 5.060 . 5.060 4.830 4.464 5.071 0.011 1 0 "[ . 1 . 2]" 1
873 1 97 LEU HA 1 97 LEU MD1 3.720 . 3.720 3.129 2.829 3.494 . 0 0 "[ . 1 . 2]" 1
874 1 91 PHE QD 1 97 LEU MD1 3.860 . 3.860 2.834 2.131 3.513 . 0 0 "[ . 1 . 2]" 1
875 1 82 CYS HB3 1 97 LEU MD1 5.150 . 5.150 4.584 4.403 4.804 . 0 0 "[ . 1 . 2]" 1
876 1 94 GLN HA 1 97 LEU MD1 5.500 . 5.500 4.524 4.042 4.952 . 0 0 "[ . 1 . 2]" 1
877 1 97 LEU MD1 1 100 HIS HB3 5.500 . 5.500 4.144 3.714 4.641 . 0 0 "[ . 1 . 2]" 1
878 1 82 CYS HB2 1 97 LEU MD1 4.120 . 4.120 3.580 3.322 3.927 . 0 0 "[ . 1 . 2]" 1
879 1 97 LEU HB2 1 97 LEU MD1 3.210 . 3.210 2.133 2.107 2.170 . 0 0 "[ . 1 . 2]" 1
880 1 72 LEU H 1 72 LEU MD2 4.290 . 4.290 4.176 4.120 4.235 . 0 0 "[ . 1 . 2]" 1
881 1 39 VAL HA 1 39 VAL MG2 3.450 . 3.450 2.358 2.292 2.427 . 0 0 "[ . 1 . 2]" 1
882 1 35 ARG HA 1 39 VAL MG2 3.640 . 3.640 2.452 2.184 2.775 . 0 0 "[ . 1 . 2]" 1
883 1 84 VAL HA 1 84 VAL MG2 3.100 . 3.100 2.375 2.290 2.450 . 0 0 "[ . 1 . 2]" 1
884 1 84 VAL MG2 1 87 CYS HB3 4.340 . 4.340 3.389 3.110 3.642 . 0 0 "[ . 1 . 2]" 1
885 1 84 VAL MG2 1 104 HIS HB3 4.860 . 4.860 2.517 2.297 2.913 . 0 0 "[ . 1 . 2]" 1
886 1 84 VAL MG2 1 104 HIS HB2 4.790 . 4.790 2.734 2.590 2.848 . 0 0 "[ . 1 . 2]" 1
887 1 39 VAL MG2 1 71 MET QB 3.740 . 3.740 3.028 2.252 3.378 . 0 0 "[ . 1 . 2]" 1
888 1 39 VAL MG2 1 67 LEU HB3 4.320 . 4.320 4.149 3.863 4.332 0.012 16 0 "[ . 1 . 2]" 1
889 1 39 VAL MG2 1 67 LEU HG 4.600 . 4.600 3.367 2.432 4.613 0.013 16 0 "[ . 1 . 2]" 1
890 1 39 VAL MG2 1 67 LEU MD1 4.390 . 4.390 3.106 1.977 4.031 . 0 0 "[ . 1 . 2]" 1
891 1 30 LEU H 1 30 LEU MD2 4.550 . 4.550 4.257 4.191 4.324 . 0 0 "[ . 1 . 2]" 1
892 1 30 LEU HA 1 30 LEU MD2 4.540 . 4.540 3.892 3.860 3.920 . 0 0 "[ . 1 . 2]" 1
893 1 56 VAL MG1 1 57 TYR QD 5.380 . 5.380 5.410 5.302 5.475 0.095 9 0 "[ . 1 . 2]" 1
894 1 56 VAL HA 1 56 VAL MG1 3.010 . 3.010 2.305 2.261 2.361 . 0 0 "[ . 1 . 2]" 1
895 1 72 LEU HA 1 72 LEU MD2 4.050 . 4.050 3.892 3.133 3.984 . 0 0 "[ . 1 . 2]" 1
896 1 55 LYS QG 1 56 VAL MG1 3.590 . 3.590 2.390 1.853 3.674 0.084 1 0 "[ . 1 . 2]" 1
897 1 66 TRP HA 1 66 TRP HD1 4.630 . 4.630 4.333 3.747 4.581 . 0 0 "[ . 1 . 2]" 1
898 1 98 ALA HA 1 101 VAL MG1 4.480 . 4.480 4.456 3.968 4.548 0.068 10 0 "[ . 1 . 2]" 1
899 1 35 ARG HA 1 35 ARG QD 3.920 . 3.920 2.154 1.964 2.365 . 0 0 "[ . 1 . 2]" 1
900 1 54 CYS QB 1 55 LYS QE 4.280 . 4.280 4.330 4.106 4.383 0.103 15 0 "[ . 1 . 2]" 1
901 1 35 ARG QD 1 39 VAL HB 4.030 . 4.030 2.394 2.038 2.761 . 0 0 "[ . 1 . 2]" 1
902 1 18 ASP QB 1 19 GLN QB 4.470 . 4.470 4.166 3.685 4.549 0.079 13 0 "[ . 1 . 2]" 1
903 1 64 GLN HB3 1 101 VAL MG1 4.220 . 4.220 2.430 1.951 3.048 . 0 0 "[ . 1 . 2]" 1
904 1 18 ASP QB 1 50 LEU QB 3.990 . 3.990 2.398 1.843 2.975 . 0 0 "[ . 1 . 2]" 1
905 1 35 ARG QD 1 39 VAL MG2 4.170 . 4.170 2.673 1.981 3.287 . 0 0 "[ . 1 . 2]" 1
906 1 18 ASP QB 1 50 LEU MD1 4.520 . 4.520 3.507 2.483 4.529 0.009 18 0 "[ . 1 . 2]" 1
907 1 18 ASP QB 1 50 LEU MD2 4.970 . 4.970 3.433 3.115 4.219 . 0 0 "[ . 1 . 2]" 1
908 1 101 VAL MG1 1 105 PHE QE 3.620 . 3.620 2.327 1.903 3.072 . 0 0 "[ . 1 . 2]" 1
909 1 78 LYS HA 1 78 LYS QE 4.410 . 4.410 3.384 2.502 4.223 . 0 0 "[ . 1 . 2]" 1
910 1 55 LYS HA 1 55 LYS QE 5.100 . 5.100 5.096 4.109 5.202 0.102 9 0 "[ . 1 . 2]" 1
911 1 101 VAL MG1 1 102 PRO HA 4.280 . 4.280 3.303 3.182 3.452 . 0 0 "[ . 1 . 2]" 1
912 1 78 LYS QE 1 79 PRO HD3 5.290 . 5.290 5.019 4.542 5.342 0.052 3 0 "[ . 1 . 2]" 1
913 1 101 VAL HA 1 101 VAL MG1 3.450 . 3.450 2.487 2.459 2.527 . 0 0 "[ . 1 . 2]" 1
914 1 101 VAL MG1 1 102 PRO HD3 4.340 . 4.340 3.340 3.195 3.488 . 0 0 "[ . 1 . 2]" 1
915 1 65 SER QB 1 68 GLN HB2 4.910 . 4.910 4.345 3.746 4.920 0.010 7 0 "[ . 1 . 2]" 1
916 1 55 LYS QB 1 55 LYS QE 4.480 . 4.480 3.677 2.141 3.853 . 0 0 "[ . 1 . 2]" 1
917 1 35 ARG QB 1 35 ARG QD 3.240 . 3.240 2.715 2.410 2.939 . 0 0 "[ . 1 . 2]" 1
918 1 55 LYS QE 1 55 LYS QG 3.350 . 3.350 2.241 1.963 2.711 . 0 0 "[ . 1 . 2]" 1
919 1 64 GLN HB3 1 65 SER QB 4.440 . 4.440 4.322 3.951 4.524 0.084 20 0 "[ . 1 . 2]" 1
920 1 64 GLN HB2 1 101 VAL MG1 3.460 . 3.460 3.143 2.616 3.492 0.032 9 0 "[ . 1 . 2]" 1
921 1 52 LYS HA 1 52 LYS QE 4.500 . 4.500 4.215 3.802 4.603 0.103 5 0 "[ . 1 . 2]" 1
922 1 48 VAL MG1 1 58 ASN HA 4.750 . 4.750 3.650 2.253 4.339 . 0 0 "[ . 1 . 2]" 1
923 1 77 ASP QB 1 79 PRO HD3 5.070 . 5.070 4.804 3.943 5.259 0.189 8 0 "[ . 1 . 2]" 1
924 1 52 LYS HB2 1 52 LYS QE 4.240 . 4.240 3.528 2.052 4.016 . 0 0 "[ . 1 . 2]" 1
925 1 50 LEU MD1 1 57 TYR QD 4.240 . 4.240 3.091 2.480 3.393 . 0 0 "[ . 1 . 2]" 1
926 1 62 THR HA 1 62 THR MG 3.090 . 3.090 2.312 2.235 2.404 . 0 0 "[ . 1 . 2]" 1
927 1 46 VAL HA 1 62 THR MG 3.980 . 3.980 2.864 2.559 3.129 . 0 0 "[ . 1 . 2]" 1
928 1 50 LEU HA 1 50 LEU MD1 3.350 . 3.350 2.068 1.971 2.398 . 0 0 "[ . 1 . 2]" 1
929 1 50 LEU MD1 1 58 ASN HA 3.980 . 3.980 2.422 1.970 4.000 0.020 8 0 "[ . 1 . 2]" 1
930 1 50 LEU MD2 1 58 ASN HA 4.230 . 4.230 3.722 2.095 3.992 . 0 0 "[ . 1 . 2]" 1
931 1 46 VAL HB 1 62 THR MG 4.440 . 4.440 3.776 3.455 4.019 . 0 0 "[ . 1 . 2]" 1
932 1 48 VAL HB 1 50 LEU MD2 4.610 . 4.610 3.613 2.032 4.312 . 0 0 "[ . 1 . 2]" 1
933 1 56 VAL HA 1 56 VAL MG2 3.650 . 3.650 3.179 3.147 3.212 . 0 0 "[ . 1 . 2]" 1
934 1 56 VAL MG2 1 59 THR HB 4.900 . 4.900 4.441 4.222 4.751 . 0 0 "[ . 1 . 2]" 1
935 1 55 LYS QE 1 56 VAL MG2 4.110 . 4.110 2.966 2.579 3.859 . 0 0 "[ . 1 . 2]" 1
936 1 56 VAL MG2 1 57 TYR HB3 4.250 . 4.250 4.018 3.733 4.250 . 0 0 "[ . 1 . 2]" 1
937 1 55 LYS QB 1 56 VAL MG2 4.920 . 4.920 4.548 3.833 4.879 . 0 0 "[ . 1 . 2]" 1
938 1 46 VAL MG1 1 60 PRO HB2 3.600 . 3.600 2.937 2.741 3.377 . 0 0 "[ . 1 . 2]" 1
939 1 55 LYS QG 1 56 VAL MG2 4.110 . 4.110 3.529 2.064 4.089 . 0 0 "[ . 1 . 2]" 1
940 1 36 SER HA 1 40 ASP HB2 4.010 . 4.010 3.050 2.194 3.675 . 0 0 "[ . 1 . 2]" 1
941 1 36 SER HA 1 40 ASP HB3 4.010 . 4.010 2.721 2.245 3.267 . 0 0 "[ . 1 . 2]" 1
942 1 83 VAL MG1 1 101 VAL MG2 4.570 . 4.570 2.898 2.209 4.593 0.023 12 0 "[ . 1 . 2]" 1
943 1 82 CYS HA 1 97 LEU MD1 3.200 . 3.200 2.324 2.018 2.603 . 0 0 "[ . 1 . 2]" 1
944 1 83 VAL HA 1 83 VAL MG1 3.650 . 3.650 2.841 2.318 3.240 . 0 0 "[ . 1 . 2]" 1
945 1 11 ILE HA 1 12 ALA HA 4.430 . 4.430 4.352 4.195 4.457 0.027 13 0 "[ . 1 . 2]" 1
946 1 65 SER HA 1 68 GLN QG 4.460 . 4.460 3.604 3.048 4.109 . 0 0 "[ . 1 . 2]" 1
947 1 11 ILE HA 1 11 ILE HG12 3.960 . 3.960 3.327 2.212 3.816 . 0 0 "[ . 1 . 2]" 1
948 1 11 ILE HA 1 11 ILE HG13 3.960 . 3.960 2.835 2.417 3.593 . 0 0 "[ . 1 . 2]" 1
949 1 11 ILE HA 1 11 ILE MG 3.350 . 3.350 3.172 2.583 3.252 . 0 0 "[ . 1 . 2]" 1
950 1 29 ASP HA 1 32 ASP QB 3.820 . 3.820 2.758 2.385 3.392 . 0 0 "[ . 1 . 2]" 1
951 1 39 VAL HA 1 39 VAL MG1 3.380 . 3.380 2.475 2.425 2.526 . 0 0 "[ . 1 . 2]" 1
952 1 103 THR HA 1 103 THR MG 3.150 . 3.150 2.436 2.392 2.485 . 0 0 "[ . 1 . 2]" 1
953 1 102 PRO HD3 1 103 THR MG 4.610 . 4.610 4.689 4.669 4.717 0.107 19 0 "[ . 1 . 2]" 1
954 1 35 ARG QD 1 39 VAL MG1 3.800 . 3.800 2.462 2.038 2.723 . 0 0 "[ . 1 . 2]" 1
955 1 39 VAL MG1 1 68 GLN QG 3.680 . 3.680 2.123 1.828 2.342 . 0 0 "[ . 1 . 2]" 1
956 1 65 SER HA 1 68 GLN HB2 3.640 . 3.640 2.679 2.360 2.988 . 0 0 "[ . 1 . 2]" 1
957 1 64 GLN HG3 1 65 SER HA 4.990 . 4.990 3.724 3.340 4.178 . 0 0 "[ . 1 . 2]" 1
958 1 65 SER HA 1 68 GLN HB3 5.180 . 5.180 4.289 3.979 4.589 . 0 0 "[ . 1 . 2]" 1
959 1 39 VAL MG1 1 67 LEU HB3 3.940 . 3.940 3.622 3.305 3.947 0.007 16 0 "[ . 1 . 2]" 1
960 1 39 VAL MG1 1 67 LEU HG 4.240 . 4.240 3.737 3.344 4.246 0.006 16 0 "[ . 1 . 2]" 1
961 1 46 VAL HA 1 62 THR HB 4.980 . 4.980 4.465 4.286 4.631 . 0 0 "[ . 1 . 2]" 1
962 1 46 VAL HA 1 47 PHE QD 4.240 . 4.240 3.618 3.020 4.010 . 0 0 "[ . 1 . 2]" 1
963 1 46 VAL HA 1 62 THR HA 3.590 . 3.590 2.516 2.257 2.724 . 0 0 "[ . 1 . 2]" 1
964 1 100 HIS HA 1 103 THR MG 3.480 . 3.480 2.627 2.405 2.846 . 0 0 "[ . 1 . 2]" 1
965 1 84 VAL MG1 1 87 CYS HB2 4.350 . 4.350 2.606 2.419 2.844 . 0 0 "[ . 1 . 2]" 1
966 1 46 VAL HA 1 46 VAL MG1 3.370 . 3.370 2.369 2.331 2.427 . 0 0 "[ . 1 . 2]" 1
967 1 84 VAL HA 1 84 VAL MG1 3.230 . 3.230 2.376 2.337 2.455 . 0 0 "[ . 1 . 2]" 1
968 1 20 CYS HB3 1 22 ALA MB 4.190 . 4.190 4.174 3.842 4.294 0.104 5 0 "[ . 1 . 2]" 1
969 1 84 VAL MG1 1 87 CYS HB3 4.350 . 4.350 3.231 3.002 3.402 . 0 0 "[ . 1 . 2]" 1
970 1 84 VAL MG1 1 104 HIS HB3 4.720 . 4.720 3.745 3.415 4.069 . 0 0 "[ . 1 . 2]" 1
971 1 46 VAL HA 1 46 VAL MG2 3.370 . 3.370 3.241 3.219 3.257 . 0 0 "[ . 1 . 2]" 1
972 1 46 VAL MG2 1 60 PRO HB2 3.600 . 3.600 2.778 2.365 2.964 . 0 0 "[ . 1 . 2]" 1
973 1 59 THR MG 1 60 PRO HG2 4.460 . 4.460 4.114 3.857 4.286 . 0 0 "[ . 1 . 2]" 1
974 1 59 THR HA 1 59 THR MG 3.200 . 3.200 2.346 2.293 2.399 . 0 0 "[ . 1 . 2]" 1
975 1 59 THR MG 1 60 PRO QD 3.370 . 3.370 2.800 2.433 3.117 . 0 0 "[ . 1 . 2]" 1
976 1 56 VAL HB 1 59 THR MG 4.700 . 4.700 4.133 3.807 4.616 . 0 0 "[ . 1 . 2]" 1
977 1 24 PHE QD 1 29 ASP QB 4.270 . 4.270 2.269 2.090 2.545 . 0 0 "[ . 1 . 2]" 1
978 1 34 ILE MG 1 71 MET HA 4.960 . 4.960 4.138 3.693 4.959 . 0 0 "[ . 1 . 2]" 1
979 1 51 TRP HA 1 52 LYS HB2 4.620 . 4.620 4.338 4.172 4.456 . 0 0 "[ . 1 . 2]" 1
980 1 79 PRO HD3 1 92 ALA MB 5.010 . 5.010 4.514 4.223 4.811 . 0 0 "[ . 1 . 2]" 1
981 1 91 PHE HB3 1 92 ALA MB 5.410 . 5.410 4.421 4.203 4.576 . 0 0 "[ . 1 . 2]" 1
982 1 78 LYS QE 1 92 ALA MB 4.850 . 4.850 4.041 1.843 4.765 . 0 0 "[ . 1 . 2]" 1
983 1 34 ILE HG12 1 34 ILE MG 3.510 . 3.510 2.286 2.204 2.361 . 0 0 "[ . 1 . 2]" 1
984 1 34 ILE MG 1 38 HIS HB2 3.680 . 3.680 2.232 2.035 2.367 . 0 0 "[ . 1 . 2]" 1
985 1 34 ILE MG 1 71 MET QB 3.890 . 3.890 2.081 1.896 2.669 . 0 0 "[ . 1 . 2]" 1
986 1 89 ALA MB 1 91 PHE HZ 3.710 . 3.710 3.206 2.024 3.727 0.017 16 0 "[ . 1 . 2]" 1
987 1 31 ALA HA 1 34 ILE MG 4.500 . 4.500 3.758 3.413 4.103 . 0 0 "[ . 1 . 2]" 1
988 1 59 THR HA 1 60 PRO QD 3.120 . 3.120 1.937 1.890 1.978 . 0 0 "[ . 1 . 2]" 1
989 1 34 ILE MG 1 35 ARG QD 4.220 . 4.220 3.957 3.066 4.430 0.210 7 0 "[ . 1 . 2]" 1
990 1 59 THR HA 1 60 PRO HG2 4.200 . 4.200 4.204 4.088 4.261 0.061 4 0 "[ . 1 . 2]" 1
991 1 55 LYS HA 1 55 LYS QD 3.970 . 3.970 3.676 3.559 4.137 0.167 16 0 "[ . 1 . 2]" 1
992 1 55 LYS HA 1 55 LYS QG 3.580 . 3.580 3.478 3.260 3.559 . 0 0 "[ . 1 . 2]" 1
993 1 39 VAL MG2 1 68 GLN HA 3.730 . 3.730 3.053 2.803 3.236 . 0 0 "[ . 1 . 2]" 1
994 1 39 VAL MG1 1 68 GLN HA 4.100 . 4.100 3.785 2.964 4.161 0.061 5 0 "[ . 1 . 2]" 1
995 1 57 TYR HA 1 57 TYR QD 3.930 . 3.930 3.681 3.648 3.706 . 0 0 "[ . 1 . 2]" 1
996 1 54 CYS QB 1 57 TYR HA 4.340 . 4.340 3.453 3.269 3.648 . 0 0 "[ . 1 . 2]" 1
997 1 52 LYS HA 1 57 TYR QE 4.110 . 4.110 3.557 3.099 3.937 . 0 0 "[ . 1 . 2]" 1
998 1 64 GLN HA 1 64 GLN HG3 3.650 . 3.650 3.107 3.020 3.303 . 0 0 "[ . 1 . 2]" 1
999 1 52 LYS HA 1 52 LYS QD 4.250 . 4.250 3.174 2.408 4.212 . 0 0 "[ . 1 . 2]" 1
1000 1 52 LYS HA 1 57 TYR QD 4.510 . 4.510 3.805 3.524 4.143 . 0 0 "[ . 1 . 2]" 1
1001 1 35 ARG HA 1 39 VAL HB 3.620 . 3.620 2.033 1.943 2.106 . 0 0 "[ . 1 . 2]" 1
1002 1 69 ARG HA 1 69 ARG QG 3.860 . 3.860 2.681 2.356 3.160 . 0 0 "[ . 1 . 2]" 1
1003 1 94 GLN HA 1 97 LEU HB2 4.790 . 4.790 4.004 3.649 4.294 . 0 0 "[ . 1 . 2]" 1
1004 1 34 ILE MD 1 75 SER HA 5.230 . 5.230 4.308 3.554 5.222 . 0 0 "[ . 1 . 2]" 1
1005 1 50 LEU MD1 1 58 ASN HB2 4.420 . 4.420 3.148 2.893 3.617 . 0 0 "[ . 1 . 2]" 1
1006 1 48 VAL MG2 1 60 PRO HB3 4.410 . 4.410 3.266 1.799 4.108 . 0 0 "[ . 1 . 2]" 1
1007 1 94 GLN HA 1 97 LEU MD2 4.060 . 4.060 3.248 2.917 3.473 . 0 0 "[ . 1 . 2]" 1
1008 1 80 PHE HB2 1 97 LEU MD1 4.220 . 4.220 2.535 2.190 2.851 . 0 0 "[ . 1 . 2]" 1
1009 1 80 PHE HB3 1 97 LEU MD1 4.660 . 4.660 2.331 1.997 2.852 . 0 0 "[ . 1 . 2]" 1
1010 1 48 VAL MG2 1 50 LEU MD2 3.860 . 3.860 2.396 1.960 3.706 . 0 0 "[ . 1 . 2]" 1
1011 1 83 VAL HA 1 83 VAL MG2 3.650 . 3.650 2.634 2.312 3.230 . 0 0 "[ . 1 . 2]" 1
1012 1 48 VAL MG2 1 58 ASN HA 4.750 . 4.750 2.878 1.972 4.757 0.007 18 0 "[ . 1 . 2]" 1
1013 1 83 VAL MG2 1 101 VAL MG2 4.570 . 4.570 3.658 2.361 4.643 0.073 17 0 "[ . 1 . 2]" 1
1014 1 91 PHE HA 1 91 PHE QD 3.840 . 3.840 3.015 2.189 3.172 . 0 0 "[ . 1 . 2]" 1
1015 1 31 ALA MB 1 32 ASP HA 4.100 . 4.100 3.863 3.782 4.047 . 0 0 "[ . 1 . 2]" 1
1016 1 28 PRO HA 1 31 ALA MB 3.220 . 3.220 2.343 2.175 2.545 . 0 0 "[ . 1 . 2]" 1
1017 1 95 GLY QA 1 98 ALA MB 3.210 . 3.210 2.943 2.506 3.237 0.027 13 0 "[ . 1 . 2]" 1
1018 1 94 GLN HA 1 98 ALA MB 4.500 . 4.500 4.120 3.774 4.496 . 0 0 "[ . 1 . 2]" 1
1019 1 98 ALA MB 1 99 ARG QD 5.100 . 5.100 4.179 2.555 5.271 0.171 10 0 "[ . 1 . 2]" 1
1020 1 31 ALA MB 1 77 ASP QB 4.240 . 4.240 2.257 1.782 3.528 . 0 0 "[ . 1 . 2]" 1
1021 1 28 PRO HB3 1 31 ALA MB 5.080 . 5.080 4.235 4.035 4.487 . 0 0 "[ . 1 . 2]" 1
1022 1 98 ALA MB 1 101 VAL HB 5.430 . 5.430 4.614 4.057 4.762 . 0 0 "[ . 1 . 2]" 1
1023 1 31 ALA MB 1 34 ILE HB 4.610 . 4.610 3.932 3.573 4.280 . 0 0 "[ . 1 . 2]" 1
1024 1 97 LEU HB3 1 98 ALA MB 4.990 . 4.990 4.049 3.902 4.166 . 0 0 "[ . 1 . 2]" 1
1025 1 98 ALA MB 1 99 ARG QB 4.280 . 4.280 4.129 3.567 4.373 0.093 17 0 "[ . 1 . 2]" 1
1026 1 97 LEU MD2 1 98 ALA MB 4.250 . 4.250 3.319 3.119 3.503 . 0 0 "[ . 1 . 2]" 1
1027 1 51 TRP HA 1 51 TRP HD1 4.380 . 4.380 2.760 2.208 3.090 . 0 0 "[ . 1 . 2]" 1
1028 1 14 ASN HA 1 23 CYS HA 3.530 . 3.530 2.134 1.932 2.433 . 0 0 "[ . 1 . 2]" 1
1029 1 17 TRP HA 1 51 TRP HA 3.760 . 3.760 2.487 2.209 3.033 . 0 0 "[ . 1 . 2]" 1
1030 1 99 ARG HA 1 102 PRO HD3 4.370 . 4.370 3.882 3.615 4.219 . 0 0 "[ . 1 . 2]" 1
1031 1 67 LEU HA 1 70 HIS HB3 4.100 . 4.100 2.570 2.199 2.833 . 0 0 "[ . 1 . 2]" 1
1032 1 67 LEU HA 1 70 HIS HB2 4.240 . 4.240 3.481 2.930 3.927 . 0 0 "[ . 1 . 2]" 1
1033 1 99 ARG HA 1 99 ARG QG 3.650 . 3.650 2.895 2.400 3.093 . 0 0 "[ . 1 . 2]" 1
1034 1 80 PHE HA 1 97 LEU MD1 4.010 . 4.010 3.776 3.523 4.034 0.024 12 0 "[ . 1 . 2]" 1
1035 1 48 VAL HB 1 58 ASN HA 4.530 . 4.530 4.483 4.304 4.594 0.064 5 0 "[ . 1 . 2]" 1
1036 1 97 LEU HA 1 100 HIS HB2 4.040 . 4.040 3.540 3.240 3.866 . 0 0 "[ . 1 . 2]" 1
1037 1 24 PHE HA 1 29 ASP QB 4.530 . 4.530 4.326 4.196 4.545 0.015 15 0 "[ . 1 . 2]" 1
1038 1 11 ILE HG12 1 11 ILE MG 3.650 . 3.650 2.361 2.182 3.214 . 0 0 "[ . 1 . 2]" 1
1039 1 11 ILE HG13 1 11 ILE MG 3.650 . 3.650 2.747 2.397 3.227 . 0 0 "[ . 1 . 2]" 1
1040 1 97 LEU HA 1 97 LEU MD2 4.160 . 4.160 3.699 3.529 3.777 . 0 0 "[ . 1 . 2]" 1
1041 1 24 PHE HA 1 24 PHE QD 3.930 . 3.930 3.007 2.891 3.082 . 0 0 "[ . 1 . 2]" 1
1042 1 72 LEU HA 1 76 GLY QA 4.370 . 4.370 4.086 2.233 4.422 0.052 8 0 "[ . 1 . 2]" 1
1043 1 32 ASP HA 1 35 ARG QB 3.910 . 3.910 2.747 2.404 3.196 . 0 0 "[ . 1 . 2]" 1
1044 1 72 LEU HA 1 72 LEU HG 4.010 . 4.010 3.128 2.689 3.313 . 0 0 "[ . 1 . 2]" 1
1045 1 72 LEU HA 1 72 LEU MD1 4.050 . 4.050 2.302 2.150 3.827 . 0 0 "[ . 1 . 2]" 1
1046 1 13 TYR QE 1 26 SER HA 4.880 . 4.880 4.378 3.245 4.890 0.010 17 0 "[ . 1 . 2]" 1
1047 1 81 LYS HA 1 90 SER HA 3.220 . 3.220 2.159 1.915 2.266 . 0 0 "[ . 1 . 2]" 1
1048 1 81 LYS HB2 1 90 SER HA 5.040 . 5.040 5.032 4.834 5.088 0.048 9 0 "[ . 1 . 2]" 1
1049 1 81 LYS HB3 1 90 SER HA 4.780 . 4.780 4.439 4.153 4.654 . 0 0 "[ . 1 . 2]" 1
1050 1 81 LYS HG2 1 90 SER HA 4.970 . 4.970 3.836 3.205 5.060 0.090 1 0 "[ . 1 . 2]" 1
1051 1 81 LYS HG3 1 90 SER HA 4.970 . 4.970 4.169 3.311 4.674 . 0 0 "[ . 1 . 2]" 1
1052 1 89 ALA MB 1 90 SER HA 4.780 . 4.780 4.076 3.851 4.237 . 0 0 "[ . 1 . 2]" 1
1053 1 90 SER HA 1 97 LEU MD1 4.990 . 4.990 3.355 3.019 3.683 . 0 0 "[ . 1 . 2]" 1
1054 1 105 PHE HA 1 105 PHE QD 3.600 . 3.600 3.087 2.964 3.183 . 0 0 "[ . 1 . 2]" 1
1055 1 37 ILE HA 1 37 ILE MG 3.330 . 3.330 2.437 2.377 2.477 . 0 0 "[ . 1 . 2]" 1
1056 1 37 ILE HG12 1 37 ILE MG 3.560 . 3.560 2.692 2.308 3.220 . 0 0 "[ . 1 . 2]" 1
1057 1 37 ILE HG13 1 37 ILE MG 3.560 . 3.560 2.877 2.338 3.214 . 0 0 "[ . 1 . 2]" 1
1058 1 39 VAL MG1 1 40 ASP HA 4.070 . 4.070 3.397 3.119 3.732 . 0 0 "[ . 1 . 2]" 1
1059 1 37 ILE MD 1 37 ILE MG 3.070 . 3.070 2.038 1.998 2.088 . 0 0 "[ . 1 . 2]" 1
1060 1 17 TRP HE3 1 37 ILE MG 4.930 . 4.930 4.376 3.916 4.761 . 0 0 "[ . 1 . 2]" 1
1061 1 17 TRP HH2 1 37 ILE MG 5.180 . 5.180 4.344 3.831 4.860 . 0 0 "[ . 1 . 2]" 1
1062 1 37 ILE MG 1 38 HIS HA 4.370 . 4.370 3.796 3.660 3.862 . 0 0 "[ . 1 . 2]" 1
1063 1 34 ILE MD 1 51 TRP HZ2 4.430 . 4.430 4.436 3.548 4.536 0.106 20 0 "[ . 1 . 2]" 1
1064 1 80 PHE QE 1 93 SER HA 3.700 . 3.700 2.745 2.192 3.718 0.018 12 0 "[ . 1 . 2]" 1
1065 1 80 PHE QD 1 93 SER HA 4.150 . 4.150 3.453 2.795 3.971 . 0 0 "[ . 1 . 2]" 1
1066 1 30 LEU HA 1 34 ILE MD 4.400 . 4.400 3.594 3.458 3.737 . 0 0 "[ . 1 . 2]" 1
1067 1 34 ILE HB 1 34 ILE MD 3.610 . 3.610 2.400 2.352 2.438 . 0 0 "[ . 1 . 2]" 1
1068 1 30 LEU HG 1 34 ILE MD 4.590 . 4.590 1.994 1.910 2.119 . 0 0 "[ . 1 . 2]" 1
1069 1 30 LEU MD2 1 34 ILE MD 3.810 . 3.810 3.066 2.707 3.240 . 0 0 "[ . 1 . 2]" 1
1070 1 8 HIS HA 1 8 HIS HD2 3.730 . 3.730 3.061 2.444 3.822 0.092 14 0 "[ . 1 . 2]" 1
1071 1 71 MET HA 1 73 THR MG 5.500 . 5.500 5.394 3.955 5.548 0.048 2 0 "[ . 1 . 2]" 1
1072 1 60 PRO HA 1 61 SER HA 4.470 . 4.470 4.444 4.363 4.522 0.052 6 0 "[ . 1 . 2]" 1
1073 1 31 ALA HA 1 34 ILE HB 3.860 . 3.860 2.465 2.063 2.826 . 0 0 "[ . 1 . 2]" 1
1074 1 31 ALA HA 1 34 ILE MD 3.830 . 3.830 2.977 2.524 3.341 . 0 0 "[ . 1 . 2]" 1
1075 1 81 LYS HA 1 97 LEU MD1 4.350 . 4.350 3.255 2.915 3.558 . 0 0 "[ . 1 . 2]" 1
1076 1 43 ARG HA 1 105 PHE QE 4.810 . 4.810 4.466 3.820 4.905 0.095 6 0 "[ . 1 . 2]" 1
1077 1 43 ARG HA 1 43 ARG QG 3.380 . 3.380 3.191 2.346 3.389 0.009 3 0 "[ . 1 . 2]" 1
1078 1 98 ALA HA 1 101 VAL HB 4.410 . 4.410 3.130 2.610 3.289 . 0 0 "[ . 1 . 2]" 1
1079 1 97 LEU HG 1 98 ALA HA 4.330 . 4.330 4.070 3.739 4.353 0.023 2 0 "[ . 1 . 2]" 1
1080 1 97 LEU MD2 1 98 ALA HA 4.090 . 4.090 2.932 2.493 3.161 . 0 0 "[ . 1 . 2]" 1
1081 1 19 GLN HA 1 19 GLN HG2 3.760 . 3.760 3.540 3.024 3.755 . 0 0 "[ . 1 . 2]" 1
1082 1 19 GLN HA 1 19 GLN HG3 3.760 . 3.760 2.946 2.453 3.872 0.112 12 0 "[ . 1 . 2]" 1
1083 1 21 GLN HA 1 21 GLN QG 3.160 . 3.160 2.898 2.392 3.119 . 0 0 "[ . 1 . 2]" 1
1084 1 78 LYS HA 1 79 PRO HD2 3.790 . 3.790 3.815 3.748 3.868 0.078 12 0 "[ . 1 . 2]" 1
1085 1 78 LYS HA 1 78 LYS QD 4.040 . 4.040 2.955 2.051 4.170 0.130 2 0 "[ . 1 . 2]" 1
1086 1 67 LEU HA 1 68 GLN QG 5.500 . 5.500 5.128 5.000 5.296 . 0 0 "[ . 1 . 2]" 1
1087 1 64 GLN HA 1 68 GLN QG 4.830 . 4.830 4.246 3.988 4.531 . 0 0 "[ . 1 . 2]" 1
1088 1 68 GLN HA 1 68 GLN QG 3.880 . 3.880 2.347 2.291 2.440 . 0 0 "[ . 1 . 2]" 1
1089 1 35 ARG QD 1 68 GLN QG 4.280 . 4.280 3.187 2.556 4.089 . 0 0 "[ . 1 . 2]" 1
1090 1 64 GLN HA 1 64 GLN HG2 3.910 . 3.910 3.774 3.717 3.826 . 0 0 "[ . 1 . 2]" 1
1091 1 64 GLN HG2 1 101 VAL HB 4.490 . 4.490 4.315 4.026 4.511 0.021 3 0 "[ . 1 . 2]" 1
1092 1 64 GLN HG3 1 83 VAL MG1 5.500 . 5.500 3.295 2.225 4.033 . 0 0 "[ . 1 . 2]" 1
1093 1 64 GLN HG3 1 83 VAL MG2 5.500 . 5.500 3.584 2.215 4.445 . 0 0 "[ . 1 . 2]" 1
1094 1 80 PHE QD 1 94 GLN QG 4.500 . 4.500 3.366 3.004 3.743 . 0 0 "[ . 1 . 2]" 1
1095 1 94 GLN HA 1 94 GLN QG 3.420 . 3.420 2.469 2.259 2.795 . 0 0 "[ . 1 . 2]" 1
1096 1 94 GLN QG 1 98 ALA MB 4.540 . 4.540 3.477 2.117 4.356 . 0 0 "[ . 1 . 2]" 1
1097 1 94 GLN QG 1 97 LEU MD2 4.550 . 4.550 3.212 1.972 4.200 . 0 0 "[ . 1 . 2]" 1
1098 1 79 PRO HD3 1 92 ALA HA 4.300 . 4.300 4.324 4.025 4.398 0.098 8 0 "[ . 1 . 2]" 1
1099 1 78 LYS QD 1 92 ALA HA 4.050 . 4.050 3.338 2.991 3.719 . 0 0 "[ . 1 . 2]" 1
1100 1 78 LYS HG3 1 92 ALA HA 4.720 . 4.720 3.260 2.492 4.275 . 0 0 "[ . 1 . 2]" 1
1101 1 11 ILE HA 1 11 ILE MD 3.850 . 3.850 2.773 1.992 3.842 . 0 0 "[ . 1 . 2]" 1
1102 1 11 ILE HB 1 11 ILE MD 3.510 . 3.510 2.464 2.361 3.267 . 0 0 "[ . 1 . 2]" 1
1103 1 46 VAL HB 1 60 PRO HB2 3.450 . 3.450 1.915 1.842 2.076 . 0 0 "[ . 1 . 2]" 1
1104 1 48 VAL MG1 1 60 PRO HB3 4.410 . 4.410 3.219 2.868 3.636 . 0 0 "[ . 1 . 2]" 1
1105 1 11 ILE MD 1 11 ILE MG 3.340 . 3.340 2.650 1.835 3.277 . 0 0 "[ . 1 . 2]" 1
1106 1 12 ALA HA 1 25 ASN HA 4.340 . 4.340 3.260 2.247 4.353 0.013 4 0 "[ . 1 . 2]" 1
1107 1 60 PRO HB2 1 62 THR MG 5.480 . 5.480 4.636 4.337 4.935 . 0 0 "[ . 1 . 2]" 1
1108 1 11 ILE MD 1 12 ALA MB 5.010 . 5.010 4.011 2.642 5.098 0.088 19 0 "[ . 1 . 2]" 1
1109 1 107 GLN HA 1 107 GLN QG 4.010 . 4.010 2.722 2.373 3.394 . 0 0 "[ . 1 . 2]" 1
1110 1 68 GLN HB2 1 68 GLN QG 2.730 . 2.730 2.327 2.223 2.381 . 0 0 "[ . 1 . 2]" 1
1111 1 29 ASP HA 1 31 ALA H 5.040 . 5.040 4.571 4.425 4.796 . 0 0 "[ . 1 . 2]" 1
1112 1 20 CYS HA 1 21 GLN QG 4.970 . 4.970 4.205 3.506 5.008 0.038 12 0 "[ . 1 . 2]" 1
1113 1 21 GLN HA 1 22 ALA HA 5.060 . 5.060 4.326 4.262 4.398 . 0 0 "[ . 1 . 2]" 1
1114 1 22 ALA HA 1 23 CYS HA 5.490 . 5.490 4.420 4.365 4.586 . 0 0 "[ . 1 . 2]" 1
1115 1 22 ALA MB 1 23 CYS HA 4.530 . 4.530 4.005 3.711 4.170 . 0 0 "[ . 1 . 2]" 1
1116 1 12 ALA MB 1 25 ASN HA 5.200 . 5.200 4.170 2.833 5.215 0.015 7 0 "[ . 1 . 2]" 1
1117 1 33 HIS HA 1 37 ILE MD 5.500 . 5.500 4.091 3.309 5.082 . 0 0 "[ . 1 . 2]" 1
1118 1 33 HIS HA 1 34 ILE MD 5.040 . 5.040 4.850 4.689 5.010 . 0 0 "[ . 1 . 2]" 1
1119 1 34 ILE MG 1 38 HIS HA 4.980 . 4.980 4.868 4.609 5.001 0.021 7 0 "[ . 1 . 2]" 1
1120 1 38 HIS HA 1 39 VAL MG2 5.400 . 5.400 4.897 4.777 5.018 . 0 0 "[ . 1 . 2]" 1
1121 1 39 VAL HA 1 42 GLN QG 4.830 . 4.830 4.389 3.809 4.872 0.042 1 0 "[ . 1 . 2]" 1
1122 1 39 VAL HA 1 67 LEU HB3 5.400 . 5.400 5.135 4.560 5.442 0.042 16 0 "[ . 1 . 2]" 1
1123 1 39 VAL HA 1 67 LEU HG 5.500 . 5.500 4.293 3.776 4.716 . 0 0 "[ . 1 . 2]" 1
1124 1 39 VAL H 1 39 VAL MG1 4.660 . 4.660 3.768 3.729 3.800 . 0 0 "[ . 1 . 2]" 1
1125 1 104 HIS HA 1 106 SER QB 4.370 . 4.370 4.364 3.988 4.496 0.126 4 0 "[ . 1 . 2]" 1
1126 1 18 ASP HA 1 52 LYS QD 5.210 . 5.210 4.475 3.590 5.245 0.035 18 0 "[ . 1 . 2]" 1
1127 1 57 TYR QD 1 58 ASN HB3 4.660 . 4.660 4.420 4.210 4.617 . 0 0 "[ . 1 . 2]" 1
1128 1 81 LYS HB3 1 81 LYS QE 4.760 . 4.760 3.296 2.050 4.263 . 0 0 "[ . 1 . 2]" 1
1129 1 81 LYS HB2 1 81 LYS QE 5.020 . 5.020 2.909 2.013 4.129 . 0 0 "[ . 1 . 2]" 1
1130 1 84 VAL HB 1 87 CYS HB3 4.730 . 4.730 1.867 1.782 2.096 . 0 0 "[ . 1 . 2]" 1
1131 1 84 VAL HB 1 87 CYS HB2 4.760 . 4.760 2.243 2.033 2.719 . 0 0 "[ . 1 . 2]" 1
1132 1 17 TRP HZ3 1 20 CYS HB3 5.500 . 5.500 4.963 4.142 5.559 0.059 7 0 "[ . 1 . 2]" 1
1133 1 17 TRP HE3 1 20 CYS HB2 4.900 . 4.900 2.027 1.823 2.235 . 0 0 "[ . 1 . 2]" 1
1134 1 91 PHE QD 1 96 GLY HA2 5.500 . 5.500 4.878 4.312 5.507 0.007 12 0 "[ . 1 . 2]" 1
1135 1 91 PHE QD 1 96 GLY HA3 4.590 . 4.590 3.387 2.754 4.039 . 0 0 "[ . 1 . 2]" 1
1136 1 89 ALA MB 1 91 PHE QE 4.200 . 4.200 1.980 1.836 2.675 . 0 0 "[ . 1 . 2]" 1
1137 1 80 PHE HA 1 81 LYS HB2 4.910 . 4.910 4.526 4.225 4.756 . 0 0 "[ . 1 . 2]" 1
1138 1 13 TYR QB 1 30 LEU HG 4.990 . 4.990 4.410 3.899 4.903 . 0 0 "[ . 1 . 2]" 1
1139 1 57 TYR HA 1 57 TYR QE 5.500 . 5.500 5.600 5.583 5.617 0.117 20 0 "[ . 1 . 2]" 1
1140 1 91 PHE HZ 1 100 HIS HB3 5.500 . 5.500 5.020 4.274 5.519 0.019 5 0 "[ . 1 . 2]" 1
1141 1 91 PHE QE 1 100 HIS HB3 4.580 . 4.580 3.733 3.017 4.119 . 0 0 "[ . 1 . 2]" 1
1142 1 91 PHE QE 1 100 HIS HB2 4.900 . 4.900 3.921 3.193 4.378 . 0 0 "[ . 1 . 2]" 1
1143 1 91 PHE HA 1 91 PHE QE 5.060 . 5.060 4.704 4.436 4.843 . 0 0 "[ . 1 . 2]" 1
1144 1 74 HIS HA 1 74 HIS HD2 4.850 . 4.850 4.825 4.529 4.879 0.029 19 0 "[ . 1 . 2]" 1
1145 1 80 PHE QE 1 94 GLN QG 4.460 . 4.460 3.250 2.471 4.006 . 0 0 "[ . 1 . 2]" 1
1146 1 64 GLN HG3 1 105 PHE QE 5.140 . 5.140 4.839 4.092 5.190 0.050 7 0 "[ . 1 . 2]" 1
1147 1 64 GLN HG2 1 105 PHE QE 4.690 . 4.690 3.210 2.379 3.575 . 0 0 "[ . 1 . 2]" 1
1148 1 90 SER HA 1 91 PHE QE 5.370 . 5.370 4.648 4.359 5.133 . 0 0 "[ . 1 . 2]" 1
1149 1 57 TYR QE 1 58 ASN HB3 4.970 . 4.970 4.920 4.633 5.020 0.050 6 0 "[ . 1 . 2]" 1
1150 1 47 PHE QD 1 64 GLN HA 4.710 . 4.710 3.160 2.647 3.528 . 0 0 "[ . 1 . 2]" 1
1151 1 46 VAL HA 1 105 PHE QE 5.500 . 5.500 5.547 5.501 5.606 0.106 15 0 "[ . 1 . 2]" 1
1152 1 62 THR HA 1 105 PHE QE 5.320 . 5.320 5.316 4.900 5.443 0.123 20 0 "[ . 1 . 2]" 1
1153 1 91 PHE QE 1 97 LEU MD1 4.670 . 4.670 3.676 2.884 4.224 . 0 0 "[ . 1 . 2]" 1
1154 1 30 LEU MD2 1 51 TRP HZ2 4.550 . 4.550 3.681 3.209 4.308 . 0 0 "[ . 1 . 2]" 1
1155 1 64 GLN HB3 1 105 PHE QE 5.500 . 5.500 4.286 3.232 5.035 . 0 0 "[ . 1 . 2]" 1
1156 1 104 HIS HB3 1 105 PHE QD 5.290 . 5.290 4.296 3.938 4.883 . 0 0 "[ . 1 . 2]" 1
1157 1 12 ALA HA 1 13 TYR QE 4.740 . 4.740 4.457 3.780 4.805 0.065 6 0 "[ . 1 . 2]" 1
1158 1 84 VAL MG1 1 104 HIS HB2 4.630 . 4.630 4.617 4.370 4.698 0.068 5 0 "[ . 1 . 2]" 1
1159 1 17 TRP H 1 17 TRP HE3 4.590 . 4.590 4.384 4.208 4.668 0.078 12 0 "[ . 1 . 2]" 1
1160 1 9 ASN H 1 10 ASN H 3.940 . 3.940 2.605 1.969 3.657 . 0 0 "[ . 1 . 2]" 1
1161 1 19 GLN H 1 20 CYS H 4.560 . 4.560 2.770 2.064 3.844 . 0 0 "[ . 1 . 2]" 1
1162 1 12 ALA H 1 14 ASN H 5.260 . 5.260 5.251 4.606 5.427 0.167 4 0 "[ . 1 . 2]" 1
1163 1 78 LYS H 1 79 PRO HD3 4.650 . 4.650 3.266 2.850 3.525 . 0 0 "[ . 1 . 2]" 1
1164 1 104 HIS HB2 1 106 SER H 5.090 . 5.090 4.800 4.565 5.057 . 0 0 "[ . 1 . 2]" 1
1165 1 35 ARG H 1 39 VAL H 5.070 . 5.070 4.615 4.551 4.720 . 0 0 "[ . 1 . 2]" 1
1166 1 37 ILE H 1 39 VAL H 5.500 . 5.500 4.272 4.127 4.399 . 0 0 "[ . 1 . 2]" 1
1167 1 38 HIS HB2 1 39 VAL H 3.540 . 3.540 2.130 1.963 2.254 . 0 0 "[ . 1 . 2]" 1
1168 1 23 CYS H 1 24 PHE QE 4.890 . 4.890 3.909 3.539 4.190 . 0 0 "[ . 1 . 2]" 1
1169 1 17 TRP HZ2 1 42 GLN HE22 4.000 . 4.000 2.435 1.600 4.030 0.030 4 0 "[ . 1 . 2]" 1
1170 1 52 LYS H 1 57 TYR QD 4.690 . 4.690 4.741 4.686 4.807 0.117 10 0 "[ . 1 . 2]" 1
1171 1 103 THR H 1 105 PHE H 4.250 . 4.250 3.872 3.606 4.088 . 0 0 "[ . 1 . 2]" 1
1172 1 39 VAL H 1 42 GLN H 5.500 . 5.500 4.958 4.761 5.231 . 0 0 "[ . 1 . 2]" 1
1173 1 41 GLY H 1 42 GLN H 2.670 . 2.670 2.435 2.309 2.665 . 0 0 "[ . 1 . 2]" 1
1174 1 99 ARG H 1 100 HIS H 3.840 . 3.840 2.159 2.094 2.221 . 0 0 "[ . 1 . 2]" 1
1175 1 24 PHE QD 1 30 LEU H 4.570 . 4.570 4.133 3.971 4.252 . 0 0 "[ . 1 . 2]" 1
1176 1 91 PHE QD 1 93 SER H 5.300 . 5.300 4.438 4.135 4.936 . 0 0 "[ . 1 . 2]" 1
1177 1 91 PHE QD 1 96 GLY H 5.500 . 5.500 4.382 4.012 4.841 . 0 0 "[ . 1 . 2]" 1
1178 1 80 PHE QD 1 93 SER H 4.270 . 4.270 3.627 2.983 4.222 . 0 0 "[ . 1 . 2]" 1
1179 1 80 PHE QD 1 94 GLN HE22 4.660 . 4.660 3.901 3.315 4.706 0.046 9 0 "[ . 1 . 2]" 1
1180 1 91 PHE QE 1 100 HIS HD2 4.970 . 4.970 4.541 3.892 4.955 . 0 0 "[ . 1 . 2]" 1
1181 1 100 HIS HD2 1 104 HIS HD2 5.500 . 5.500 3.617 3.307 3.893 . 0 0 "[ . 1 . 2]" 1
1182 1 100 HIS HD2 1 101 VAL HA 4.300 . 4.300 3.303 3.066 3.674 . 0 0 "[ . 1 . 2]" 1
1183 1 100 HIS HD2 1 101 VAL MG2 3.910 . 3.910 2.829 2.479 3.162 . 0 0 "[ . 1 . 2]" 1
1184 1 80 PHE QD 1 94 GLN HE21 4.660 . 4.660 3.312 2.489 4.462 . 0 0 "[ . 1 . 2]" 1
1185 1 41 GLY H 1 43 ARG H 5.500 . 5.500 4.319 4.014 4.654 . 0 0 "[ . 1 . 2]" 1
1186 1 103 THR H 1 104 HIS HD2 4.140 . 4.140 4.135 3.933 4.179 0.039 7 0 "[ . 1 . 2]" 1
1187 1 22 ALA MB 1 24 PHE HZ 4.370 . 4.370 3.603 3.404 3.864 . 0 0 "[ . 1 . 2]" 1
1188 1 57 TYR QD 1 58 ASN HD22 5.430 . 5.430 5.454 5.272 5.554 0.124 5 0 "[ . 1 . 2]" 1
1189 1 47 PHE HA 1 47 PHE QD 3.800 . 3.800 2.808 2.627 3.078 . 0 0 "[ . 1 . 2]" 1
1190 1 13 TYR QE 1 25 ASN HA 4.160 . 4.160 2.962 2.726 3.376 . 0 0 "[ . 1 . 2]" 1
1191 1 90 SER HA 1 91 PHE QD 4.480 . 4.480 3.377 3.059 4.431 . 0 0 "[ . 1 . 2]" 1
1192 1 47 PHE QD 1 62 THR HA 4.060 . 4.060 3.035 2.757 3.474 . 0 0 "[ . 1 . 2]" 1
1193 1 23 CYS HA 1 24 PHE QD 4.760 . 4.760 3.415 3.169 3.639 . 0 0 "[ . 1 . 2]" 1
1194 1 15 CYS H 1 23 CYS HA 4.020 . 4.020 3.537 2.935 4.028 0.008 13 0 "[ . 1 . 2]" 1
1195 1 104 HIS HB2 1 105 PHE HA 5.370 . 5.370 4.377 4.248 4.537 . 0 0 "[ . 1 . 2]" 1
1196 1 61 SER HA 1 62 THR MG 4.820 . 4.820 3.614 3.530 3.754 . 0 0 "[ . 1 . 2]" 1
1197 1 78 LYS HG2 1 92 ALA HA 4.720 . 4.720 3.639 2.258 4.664 . 0 0 "[ . 1 . 2]" 1
1198 1 13 TYR HA 1 13 TYR QE 5.100 . 5.100 4.611 4.324 4.816 . 0 0 "[ . 1 . 2]" 1
1199 1 13 TYR HA 1 13 TYR QD 3.780 . 3.780 2.751 2.270 3.154 . 0 0 "[ . 1 . 2]" 1
1200 1 80 PHE HA 1 80 PHE QD 4.160 . 4.160 2.765 2.511 3.151 . 0 0 "[ . 1 . 2]" 1
1201 1 42 GLN HA 1 42 GLN QG 3.190 . 3.190 2.315 2.099 2.474 . 0 0 "[ . 1 . 2]" 1
1202 1 100 HIS HA 1 102 PRO HD2 4.750 . 4.750 3.588 3.493 3.662 . 0 0 "[ . 1 . 2]" 1
1203 1 100 HIS HA 1 103 THR H 3.720 . 3.720 3.813 3.789 3.874 0.154 15 0 "[ . 1 . 2]" 1
1204 1 103 THR HA 1 104 HIS HA 5.430 . 5.430 4.651 4.585 4.733 . 0 0 "[ . 1 . 2]" 1
1205 1 32 ASP HA 1 36 SER QB 4.330 . 4.330 4.347 3.957 4.468 0.138 5 0 "[ . 1 . 2]" 1
1206 1 38 HIS HA 1 39 VAL HA 5.270 . 5.270 4.705 4.602 4.774 . 0 0 "[ . 1 . 2]" 1
1207 1 38 HIS HA 1 41 GLY H 4.770 . 4.770 3.746 3.502 4.146 . 0 0 "[ . 1 . 2]" 1
1208 1 55 LYS HA 1 57 TYR QD 4.590 . 4.590 3.652 3.174 4.350 . 0 0 "[ . 1 . 2]" 1
1209 1 26 SER HA 1 28 PRO QD 4.030 . 4.030 3.433 3.294 3.557 . 0 0 "[ . 1 . 2]" 1
1210 1 37 ILE HA 1 38 HIS HA 4.990 . 4.990 4.511 4.475 4.595 . 0 0 "[ . 1 . 2]" 1
1211 1 70 HIS HA 1 71 MET HA 4.780 . 4.780 4.715 4.605 4.828 0.048 12 0 "[ . 1 . 2]" 1
1212 1 71 MET HA 1 74 HIS HD2 3.350 . 3.350 2.502 2.063 2.986 . 0 0 "[ . 1 . 2]" 1
1213 1 50 LEU HA 1 57 TYR QD 4.040 . 4.040 2.293 1.991 2.562 . 0 0 "[ . 1 . 2]" 1
1214 1 26 SER QB 1 29 ASP HA 4.880 . 4.880 4.466 4.278 4.623 . 0 0 "[ . 1 . 2]" 1
1215 1 50 LEU HA 1 58 ASN HA 5.500 . 5.500 3.907 3.487 4.259 . 0 0 "[ . 1 . 2]" 1
1216 1 36 SER HA 1 37 ILE HA 4.930 . 4.930 4.497 4.424 4.595 . 0 0 "[ . 1 . 2]" 1
1217 1 57 TYR HA 1 58 ASN HA 5.290 . 5.290 4.478 4.330 4.538 . 0 0 "[ . 1 . 2]" 1
1218 1 37 ILE HA 1 41 GLY HA2 4.140 . 4.140 4.190 4.018 4.245 0.105 10 0 "[ . 1 . 2]" 1
1219 1 71 MET HA 1 72 LEU HA 4.750 . 4.750 4.807 4.773 4.843 0.093 12 0 "[ . 1 . 2]" 1
1220 1 102 PRO HA 1 103 THR HA 4.760 . 4.760 4.644 4.579 4.706 . 0 0 "[ . 1 . 2]" 1
1221 1 17 TRP HA 1 18 ASP HA 4.520 . 4.520 4.336 4.171 4.465 . 0 0 "[ . 1 . 2]" 1
1222 1 17 TRP HA 1 51 TRP HD1 4.050 . 4.050 3.221 2.683 3.920 . 0 0 "[ . 1 . 2]" 1
1223 1 31 ALA H 1 75 SER HB2 4.950 . 4.950 3.860 2.914 4.926 . 0 0 "[ . 1 . 2]" 1
1224 1 57 TYR HA 1 59 THR HB 4.590 . 4.590 4.135 3.892 4.413 . 0 0 "[ . 1 . 2]" 1
1225 1 58 ASN HA 1 58 ASN HD21 3.920 . 3.920 2.816 1.754 3.673 . 0 0 "[ . 1 . 2]" 1
1226 1 99 ARG HA 1 102 PRO HD2 3.860 . 3.860 3.287 3.066 3.479 . 0 0 "[ . 1 . 2]" 1
1227 1 68 GLN HA 1 69 ARG HA 4.890 . 4.890 4.772 4.688 4.893 0.003 16 0 "[ . 1 . 2]" 1
1228 1 95 GLY QA 1 96 GLY HA2 4.030 . 4.030 3.989 3.945 4.034 0.004 15 0 "[ . 1 . 2]" 1
1229 1 101 VAL HA 1 104 HIS HD2 2.980 . 2.980 2.170 2.046 2.378 . 0 0 "[ . 1 . 2]" 1
1230 1 101 VAL HA 1 102 PRO HD2 3.720 . 3.720 3.773 3.757 3.787 0.067 10 0 "[ . 1 . 2]" 1
1231 1 24 PHE QD 1 30 LEU HA 4.320 . 4.320 2.644 2.382 2.982 . 0 0 "[ . 1 . 2]" 1
1232 1 54 CYS QB 1 57 TYR HB2 4.290 . 4.290 3.580 3.470 3.702 . 0 0 "[ . 1 . 2]" 1
1233 1 97 LEU HA 1 100 HIS HB3 3.770 . 3.770 2.365 2.145 2.638 . 0 0 "[ . 1 . 2]" 1
1234 1 91 PHE QD 1 97 LEU HA 4.140 . 4.140 3.260 2.594 3.625 . 0 0 "[ . 1 . 2]" 1
1235 1 91 PHE QE 1 97 LEU HA 4.650 . 4.650 3.232 2.631 3.623 . 0 0 "[ . 1 . 2]" 1
1236 1 34 ILE HA 1 34 ILE MD 3.660 . 3.660 2.702 2.594 2.910 . 0 0 "[ . 1 . 2]" 1
1237 1 91 PHE HB2 1 97 LEU HA 5.300 . 5.300 4.578 4.064 5.217 . 0 0 "[ . 1 . 2]" 1
1238 1 99 ARG H 1 102 PRO HD3 4.720 . 4.720 4.742 4.688 4.763 0.043 4 0 "[ . 1 . 2]" 1
1239 1 34 ILE HA 1 38 HIS HD2 3.320 . 3.320 2.813 2.421 3.147 . 0 0 "[ . 1 . 2]" 1
1240 1 34 ILE HA 1 39 VAL H 4.520 . 4.520 3.895 3.760 3.999 . 0 0 "[ . 1 . 2]" 1
1241 1 54 CYS QB 1 57 TYR QE 4.960 . 4.960 4.445 4.173 4.741 . 0 0 "[ . 1 . 2]" 1
1242 1 80 PHE QD 1 94 GLN HA 4.230 . 4.230 3.184 2.844 3.815 . 0 0 "[ . 1 . 2]" 1
1243 1 80 PHE HB2 1 94 GLN HA 3.670 . 3.670 3.585 3.069 3.770 0.100 18 0 "[ . 1 . 2]" 1
1244 1 57 TYR QD 1 58 ASN HB2 4.120 . 4.120 2.998 2.748 3.257 . 0 0 "[ . 1 . 2]" 1
1245 1 104 HIS H 1 104 HIS HB3 4.010 . 4.010 3.649 3.617 3.694 . 0 0 "[ . 1 . 2]" 1
1246 1 80 PHE QD 1 91 PHE HB2 4.700 . 4.700 3.829 3.286 4.309 . 0 0 "[ . 1 . 2]" 1
1247 1 24 PHE QE 1 29 ASP QB 4.200 . 4.200 3.560 3.227 3.881 . 0 0 "[ . 1 . 2]" 1
1248 1 104 HIS HB2 1 104 HIS HD2 3.780 . 3.780 2.696 2.634 2.769 . 0 0 "[ . 1 . 2]" 1
1249 1 24 PHE HB3 1 29 ASP QB 4.260 . 4.260 2.378 2.187 2.599 . 0 0 "[ . 1 . 2]" 1
1250 1 17 TRP QB 1 20 CYS HB2 4.210 . 4.210 3.207 2.594 3.881 . 0 0 "[ . 1 . 2]" 1
1251 1 17 TRP QB 1 51 TRP H 5.420 . 5.420 4.678 4.069 5.430 0.010 12 0 "[ . 1 . 2]" 1
1252 1 17 TRP QB 1 51 TRP HD1 4.090 . 4.090 1.957 1.788 3.551 . 0 0 "[ . 1 . 2]" 1
1253 1 39 VAL HB 1 68 GLN QG 4.320 . 4.320 4.122 3.915 4.374 0.054 2 0 "[ . 1 . 2]" 1
1254 1 42 GLN HB3 1 47 PHE QD 4.150 . 4.150 2.251 1.868 2.686 . 0 0 "[ . 1 . 2]" 1
1255 1 42 GLN HB3 1 47 PHE HB2 4.440 . 4.440 4.308 3.867 4.532 0.092 9 0 "[ . 1 . 2]" 1
1256 1 38 HIS H 1 38 HIS HB2 3.190 . 3.190 2.501 2.452 2.550 . 0 0 "[ . 1 . 2]" 1
1257 1 38 HIS HB2 1 39 VAL HB 4.550 . 4.550 4.413 4.206 4.558 0.008 2 0 "[ . 1 . 2]" 1
1258 1 34 ILE HG12 1 71 MET QB 4.580 . 4.580 3.544 2.997 4.267 . 0 0 "[ . 1 . 2]" 1
1259 1 38 HIS HB2 1 39 VAL MG2 4.320 . 4.320 2.960 2.833 3.135 . 0 0 "[ . 1 . 2]" 1
1260 1 42 GLN HB2 1 47 PHE QD 4.300 . 4.300 2.826 1.969 3.720 . 0 0 "[ . 1 . 2]" 1
1261 1 38 HIS HB2 1 38 HIS HD2 3.930 . 3.930 3.286 3.083 3.440 . 0 0 "[ . 1 . 2]" 1
1262 1 28 PRO HB3 1 32 ASP QB 5.400 . 5.400 5.447 5.400 5.495 0.095 13 0 "[ . 1 . 2]" 1
1263 1 55 LYS QB 1 56 VAL MG1 4.050 . 4.050 3.700 3.061 4.025 . 0 0 "[ . 1 . 2]" 1
1264 1 71 MET QB 1 74 HIS HD2 4.620 . 4.620 3.512 2.699 4.340 . 0 0 "[ . 1 . 2]" 1
1265 1 26 SER QB 1 28 PRO QG 4.680 . 4.680 2.728 2.379 3.704 . 0 0 "[ . 1 . 2]" 1
1266 1 99 ARG HA 1 102 PRO HG3 4.320 . 4.320 3.003 2.756 3.190 . 0 0 "[ . 1 . 2]" 1
1267 1 35 ARG QB 1 39 VAL HB 4.860 . 4.860 4.058 3.976 4.215 . 0 0 "[ . 1 . 2]" 1
1268 1 48 VAL HB 1 60 PRO QD 4.660 . 4.660 3.830 3.128 4.745 0.085 6 0 "[ . 1 . 2]" 1
1269 1 52 LYS HB2 1 52 LYS QD 3.240 . 3.240 2.486 2.302 2.872 . 0 0 "[ . 1 . 2]" 1
1270 1 78 LYS HB2 1 78 LYS QD 3.620 . 3.620 2.835 2.251 2.957 . 0 0 "[ . 1 . 2]" 1
1271 1 78 LYS HB3 1 78 LYS QD 3.620 . 3.620 3.004 2.192 3.462 . 0 0 "[ . 1 . 2]" 1
1272 1 34 ILE HG13 1 38 HIS HD2 4.900 . 4.900 4.227 3.845 4.471 . 0 0 "[ . 1 . 2]" 1
1273 1 47 PHE QD 1 67 LEU MD1 4.540 . 4.540 4.189 3.274 4.597 0.057 10 0 "[ . 1 . 2]" 1
1274 1 68 GLN HE22 1 101 VAL MG2 4.060 . 4.060 2.524 1.854 2.927 . 0 0 "[ . 1 . 2]" 1
1275 1 78 LYS QD 1 92 ALA MB 4.210 . 4.210 2.417 1.984 3.211 . 0 0 "[ . 1 . 2]" 1
1276 1 24 PHE H 1 30 LEU MD2 4.850 . 4.850 3.964 3.676 4.525 . 0 0 "[ . 1 . 2]" 1
1277 1 91 PHE QD 1 97 LEU HB2 3.570 . 3.570 2.212 1.990 2.440 . 0 0 "[ . 1 . 2]" 1
1278 1 91 PHE QE 1 97 LEU HB2 4.900 . 4.900 3.791 3.254 4.148 . 0 0 "[ . 1 . 2]" 1
1279 1 64 GLN HB2 1 83 VAL MG2 4.690 . 4.690 4.397 3.730 4.768 0.078 15 0 "[ . 1 . 2]" 1
1280 1 64 GLN HB2 1 105 PHE QE 4.960 . 4.960 3.582 2.729 4.095 . 0 0 "[ . 1 . 2]" 1
1281 1 64 GLN HB2 1 64 GLN HE22 4.630 . 4.630 4.320 4.158 4.632 0.002 1 0 "[ . 1 . 2]" 1
1282 1 30 LEU MD1 1 34 ILE MD 3.810 . 3.810 2.322 2.184 2.469 . 0 0 "[ . 1 . 2]" 1
1283 1 64 GLN HB2 1 83 VAL MG1 4.690 . 4.690 4.226 3.731 4.720 0.030 10 0 "[ . 1 . 2]" 1
1284 1 68 GLN HE22 1 101 VAL MG1 4.330 . 4.330 3.452 2.420 4.250 . 0 0 "[ . 1 . 2]" 1
1285 1 101 VAL MG1 1 104 HIS HD2 4.640 . 4.640 3.710 3.475 4.041 . 0 0 "[ . 1 . 2]" 1
1286 1 84 VAL MG2 1 101 VAL MG1 3.740 . 3.740 3.738 3.440 3.804 0.064 17 0 "[ . 1 . 2]" 1
1287 1 47 PHE QD 1 67 LEU MD2 4.540 . 4.540 3.259 2.457 4.089 . 0 0 "[ . 1 . 2]" 1
1288 1 101 VAL MG1 1 105 PHE HZ 4.740 . 4.740 3.929 3.513 4.668 . 0 0 "[ . 1 . 2]" 1
1289 1 94 GLN HE22 1 97 LEU MD2 4.450 . 4.450 2.974 1.923 4.417 . 0 0 "[ . 1 . 2]" 1
1290 1 89 ALA MB 1 100 HIS HD2 3.330 . 3.330 2.992 2.722 3.347 0.017 15 0 "[ . 1 . 2]" 1
1291 1 34 ILE MG 1 39 VAL H 3.190 . 3.190 3.063 2.997 3.189 . 0 0 "[ . 1 . 2]" 1
1292 1 22 ALA MB 1 24 PHE QE 3.540 . 3.540 2.160 1.856 2.530 . 0 0 "[ . 1 . 2]" 1
1293 1 34 ILE MG 1 38 HIS HD2 4.620 . 4.620 4.637 4.516 4.706 0.086 1 0 "[ . 1 . 2]" 1
1294 1 17 TRP HZ2 1 50 LEU QB 4.270 . 4.270 4.260 3.882 4.344 0.074 5 0 "[ . 1 . 2]" 1
1295 1 34 ILE MG 1 38 HIS HB3 3.670 . 3.670 3.088 2.739 3.302 . 0 0 "[ . 1 . 2]" 1
1296 1 38 HIS HB3 1 39 VAL MG2 4.210 . 4.210 3.584 3.367 3.746 . 0 0 "[ . 1 . 2]" 1
1297 1 56 VAL MG2 1 57 TYR QD 4.270 . 4.270 4.364 4.292 4.429 0.159 16 0 "[ . 1 . 2]" 1
1298 1 84 VAL MG2 1 105 PHE QD 5.070 . 5.070 4.448 3.918 5.097 0.027 6 0 "[ . 1 . 2]" 1
1299 1 84 VAL MG2 1 104 HIS HD2 3.570 . 3.570 2.932 2.735 3.131 . 0 0 "[ . 1 . 2]" 1
1300 1 11 ILE MG 1 12 ALA MB 4.380 . 4.380 3.836 2.087 4.454 0.074 18 0 "[ . 1 . 2]" 1
1301 1 37 ILE HA 1 37 ILE MD 3.890 . 3.890 3.151 2.084 3.872 . 0 0 "[ . 1 . 2]" 1
1302 1 84 VAL MG1 1 86 GLY H 4.200 . 4.200 3.767 2.068 4.132 . 0 0 "[ . 1 . 2]" 1
1303 1 17 TRP HZ3 1 37 ILE MG 3.620 . 3.620 3.401 2.660 3.653 0.033 17 0 "[ . 1 . 2]" 1
1304 1 50 LEU MD1 1 57 TYR QE 4.340 . 4.340 4.167 3.062 4.390 0.050 1 0 "[ . 1 . 2]" 1
1305 1 48 VAL MG1 1 50 LEU MD2 3.860 . 3.860 2.294 1.991 2.763 . 0 0 "[ . 1 . 2]" 1
1306 1 42 GLN HB3 1 44 GLY H 5.500 . 5.500 4.154 3.943 4.497 . 0 0 "[ . 1 . 2]" 1
1307 1 72 LEU HG 1 77 ASP H 5.220 . 5.220 4.238 2.871 5.259 0.039 10 0 "[ . 1 . 2]" 1
1308 1 37 ILE H 1 37 ILE MD 4.880 . 4.880 3.634 3.448 3.783 . 0 0 "[ . 1 . 2]" 1
1309 1 30 LEU MD1 1 51 TRP HZ2 4.550 . 4.550 4.375 2.864 4.586 0.036 18 0 "[ . 1 . 2]" 1
1310 1 96 GLY H 1 98 ALA MB 5.260 . 5.260 4.790 4.660 4.909 . 0 0 "[ . 1 . 2]" 1
1311 1 34 ILE HG13 1 39 VAL H 5.500 . 5.500 5.207 4.970 5.469 . 0 0 "[ . 1 . 2]" 1
1312 1 72 LEU HG 1 76 GLY H 5.500 . 5.500 4.688 4.265 5.083 . 0 0 "[ . 1 . 2]" 1
1313 1 101 VAL H 1 102 PRO HD2 4.480 . 4.480 2.391 2.335 2.456 . 0 0 "[ . 1 . 2]" 1
1314 1 17 TRP HH2 1 38 HIS HA 5.270 . 5.270 3.930 3.273 4.509 . 0 0 "[ . 1 . 2]" 1
1315 1 104 HIS HA 1 106 SER H 4.600 . 4.600 3.706 3.343 4.196 . 0 0 "[ . 1 . 2]" 1
1316 1 17 TRP HE3 1 20 CYS HA 4.530 . 4.530 4.296 3.820 4.614 0.084 4 0 "[ . 1 . 2]" 1
1317 1 87 CYS H 1 88 ASN HA 5.110 . 5.110 4.874 4.741 5.012 . 0 0 "[ . 1 . 2]" 1
1318 1 12 ALA HA 1 13 TYR QD 4.620 . 4.620 3.733 2.916 4.288 . 0 0 "[ . 1 . 2]" 1
1319 1 82 CYS HA 1 100 HIS HD2 5.090 . 5.090 3.623 3.480 3.955 . 0 0 "[ . 1 . 2]" 1
1320 1 16 CYS HA 1 51 TRP HD1 5.500 . 5.500 5.018 4.122 5.327 . 0 0 "[ . 1 . 2]" 1
1321 1 8 HIS QB 1 10 ASN QB 3.820 . 3.820 3.433 2.398 3.937 0.117 19 0 "[ . 1 . 2]" 1
1322 1 10 ASN QB 1 11 ILE H 4.130 . 4.130 3.364 1.860 3.959 . 0 0 "[ . 1 . 2]" 1
1323 1 10 ASN QD 1 11 ILE H 4.040 . 4.040 3.619 2.593 4.124 0.084 8 0 "[ . 1 . 2]" 1
1324 1 11 ILE H 1 11 ILE QG 4.430 . 4.430 4.017 2.934 4.316 . 0 0 "[ . 1 . 2]" 1
1325 1 11 ILE HA 1 11 ILE QG 3.430 . 3.430 2.628 2.099 3.050 . 0 0 "[ . 1 . 2]" 1
1326 1 11 ILE QG 1 11 ILE MG 3.170 . 3.170 2.195 2.065 2.413 . 0 0 "[ . 1 . 2]" 1
1327 1 11 ILE QG 1 12 ALA H 3.850 . 3.850 2.267 1.674 3.881 0.031 13 0 "[ . 1 . 2]" 1
1328 1 11 ILE QG 1 12 ALA MB 4.200 . 4.200 3.477 2.797 4.433 0.233 14 0 "[ . 1 . 2]" 1
1329 1 13 TYR HA 1 14 ASN QB 5.010 . 5.010 4.449 4.272 4.567 . 0 0 "[ . 1 . 2]" 1
1330 1 13 TYR HA 1 30 LEU QD 4.590 . 4.590 3.828 3.495 4.320 . 0 0 "[ . 1 . 2]" 1
1331 1 13 TYR QB 1 30 LEU QB 4.720 . 4.720 3.205 2.683 3.787 . 0 0 "[ . 1 . 2]" 1
1332 1 13 TYR QB 1 30 LEU QD 3.990 . 3.990 1.888 1.746 2.177 . 0 0 "[ . 1 . 2]" 1
1333 1 13 TYR QE 1 25 ASN QB 4.680 . 4.680 4.145 3.576 4.720 0.040 2 0 "[ . 1 . 2]" 1
1334 1 14 ASN H 1 14 ASN QD 3.900 . 3.900 2.267 1.931 2.692 . 0 0 "[ . 1 . 2]" 1
1335 1 14 ASN HA 1 30 LEU QD 4.620 . 4.620 3.625 2.940 4.171 . 0 0 "[ . 1 . 2]" 1
1336 1 14 ASN QB 1 15 CYS H 3.590 . 3.590 3.185 2.941 3.599 0.009 14 0 "[ . 1 . 2]" 1
1337 1 14 ASN QD 1 23 CYS HA 5.340 . 5.340 4.586 3.402 5.139 . 0 0 "[ . 1 . 2]" 1
1338 1 14 ASN QD 1 23 CYS QB 4.760 . 4.760 3.201 2.226 4.507 . 0 0 "[ . 1 . 2]" 1
1339 1 15 CYS H 1 30 LEU QD 4.570 . 4.570 3.158 2.608 4.102 . 0 0 "[ . 1 . 2]" 1
1340 1 16 CYS QB 1 51 TRP HE1 4.300 . 4.300 4.286 3.608 4.363 0.063 11 0 "[ . 1 . 2]" 1
1341 1 16 CYS QB 1 52 LYS H 3.700 . 3.700 3.025 2.590 3.414 . 0 0 "[ . 1 . 2]" 1
1342 1 16 CYS QB 1 52 LYS HB2 4.640 . 4.640 2.621 2.132 3.627 . 0 0 "[ . 1 . 2]" 1
1343 1 16 CYS QB 1 52 LYS HB3 5.100 . 5.100 4.024 3.343 5.146 0.046 9 0 "[ . 1 . 2]" 1
1344 1 17 TRP HE1 1 42 GLN QE 4.780 . 4.780 2.331 1.908 3.262 . 0 0 "[ . 1 . 2]" 1
1345 1 17 TRP HZ2 1 42 GLN QE 3.450 . 3.450 2.052 1.596 3.042 . 0 0 "[ . 1 . 2]" 1
1346 1 17 TRP HZ2 1 48 VAL QG 5.140 . 5.140 4.261 3.508 5.160 0.020 20 0 "[ . 1 . 2]" 1
1347 1 17 TRP HH2 1 42 GLN QE 5.340 . 5.340 3.914 3.618 4.367 . 0 0 "[ . 1 . 2]" 1
1348 1 18 ASP H 1 19 GLN QE 3.850 . 3.850 3.999 3.870 4.141 0.291 1 0 "[ . 1 . 2]" 1
1349 1 18 ASP HA 1 19 GLN QE 4.250 . 4.250 2.780 2.130 4.286 0.036 12 0 "[ . 1 . 2]" 1
1350 1 19 GLN HA 1 19 GLN QG 3.190 . 3.190 2.677 2.419 3.209 0.019 12 0 "[ . 1 . 2]" 1
1351 1 19 GLN HA 1 19 GLN QE 4.160 . 4.160 2.769 2.142 4.211 0.051 12 0 "[ . 1 . 2]" 1
1352 1 19 GLN QE 1 19 GLN QG 3.060 . 3.060 2.239 2.149 2.698 . 0 0 "[ . 1 . 2]" 1
1353 1 20 CYS H 1 21 GLN QE 4.480 . 4.480 3.790 2.909 4.495 0.015 16 0 "[ . 1 . 2]" 1
1354 1 20 CYS HA 1 21 GLN QB 5.180 . 5.180 4.493 4.388 4.655 . 0 0 "[ . 1 . 2]" 1
1355 1 20 CYS HA 1 21 GLN QE 5.340 . 5.340 4.313 2.960 5.365 0.025 11 0 "[ . 1 . 2]" 1
1356 1 21 GLN HA 1 21 GLN QE 3.750 . 3.750 2.719 2.077 3.844 0.094 12 0 "[ . 1 . 2]" 1
1357 1 21 GLN QB 1 22 ALA H 4.130 . 4.130 3.624 3.561 3.688 . 0 0 "[ . 1 . 2]" 1
1358 1 23 CYS H 1 23 CYS QB 3.480 . 3.480 3.083 2.691 3.308 . 0 0 "[ . 1 . 2]" 1
1359 1 23 CYS QB 1 24 PHE H 3.750 . 3.750 3.237 3.032 3.767 0.017 15 0 "[ . 1 . 2]" 1
1360 1 24 PHE QB 1 25 ASN H 4.300 . 4.300 2.763 2.555 3.045 . 0 0 "[ . 1 . 2]" 1
1361 1 24 PHE QB 1 26 SER H 3.370 . 3.370 2.652 2.429 2.831 . 0 0 "[ . 1 . 2]" 1
1362 1 24 PHE QB 1 26 SER QB 4.210 . 4.210 3.575 3.145 3.788 . 0 0 "[ . 1 . 2]" 1
1363 1 24 PHE QB 1 30 LEU H 3.970 . 3.970 2.763 2.690 2.839 . 0 0 "[ . 1 . 2]" 1
1364 1 24 PHE QD 1 30 LEU QD 3.860 . 3.860 2.048 1.871 2.316 . 0 0 "[ . 1 . 2]" 1
1365 1 24 PHE QE 1 30 LEU QD 4.100 . 4.100 3.356 2.937 3.758 . 0 0 "[ . 1 . 2]" 1
1366 1 24 PHE QE 1 33 HIS QB 4.570 . 4.570 2.696 2.511 2.969 . 0 0 "[ . 1 . 2]" 1
1367 1 30 LEU H 1 30 LEU QD 3.870 . 3.870 3.707 3.661 3.763 . 0 0 "[ . 1 . 2]" 1
1368 1 30 LEU HA 1 30 LEU QD 3.580 . 3.580 2.129 2.077 2.214 . 0 0 "[ . 1 . 2]" 1
1369 1 30 LEU HA 1 33 HIS QB 4.610 . 4.610 2.703 2.437 3.580 . 0 0 "[ . 1 . 2]" 1
1370 1 30 LEU QB 1 31 ALA H 3.860 . 3.860 2.389 2.234 2.538 . 0 0 "[ . 1 . 2]" 1
1371 1 30 LEU QB 1 32 ASP H 5.210 . 5.210 4.670 4.556 4.812 . 0 0 "[ . 1 . 2]" 1
1372 1 30 LEU QD 1 33 HIS H 5.130 . 5.130 4.481 4.352 4.636 . 0 0 "[ . 1 . 2]" 1
1373 1 30 LEU QD 1 34 ILE H 3.790 . 3.790 3.875 3.845 3.922 0.132 14 0 "[ . 1 . 2]" 1
1374 1 30 LEU QD 1 34 ILE HG12 5.180 . 5.180 4.112 3.861 4.325 . 0 0 "[ . 1 . 2]" 1
1375 1 30 LEU QD 1 34 ILE MD 3.250 . 3.250 2.252 2.131 2.385 . 0 0 "[ . 1 . 2]" 1
1376 1 30 LEU QD 1 51 TRP HE1 5.440 . 5.440 4.185 3.709 4.866 . 0 0 "[ . 1 . 2]" 1
1377 1 30 LEU QD 1 51 TRP HZ2 4.000 . 4.000 3.477 2.675 3.885 . 0 0 "[ . 1 . 2]" 1
1378 1 30 LEU QD 1 51 TRP HH2 5.180 . 5.180 4.563 2.087 5.074 . 0 0 "[ . 1 . 2]" 1
1379 1 30 LEU QD 1 75 SER HA 3.670 . 3.670 2.571 1.894 3.227 . 0 0 "[ . 1 . 2]" 1
1380 1 30 LEU QD 1 75 SER QB 3.890 . 3.890 2.969 2.402 3.601 . 0 0 "[ . 1 . 2]" 1
1381 1 31 ALA H 1 75 SER QB 4.320 . 4.320 3.241 2.825 4.212 . 0 0 "[ . 1 . 2]" 1
1382 1 31 ALA HA 1 75 SER QB 4.530 . 4.530 2.378 1.821 3.360 . 0 0 "[ . 1 . 2]" 1
1383 1 31 ALA MB 1 75 SER QB 3.870 . 3.870 2.255 1.969 2.852 . 0 0 "[ . 1 . 2]" 1
1384 1 32 ASP H 1 33 HIS QB 4.840 . 4.840 4.397 4.279 4.679 . 0 0 "[ . 1 . 2]" 1
1385 1 32 ASP QB 1 33 HIS QB 4.270 . 4.270 3.910 3.667 4.109 . 0 0 "[ . 1 . 2]" 1
1386 1 33 HIS HA 1 37 ILE QG 5.010 . 5.010 3.510 2.950 3.968 . 0 0 "[ . 1 . 2]" 1
1387 1 33 HIS QB 1 34 ILE H 3.530 . 3.530 2.604 2.406 3.380 . 0 0 "[ . 1 . 2]" 1
1388 1 34 ILE MG 1 71 MET QG 4.530 . 4.530 3.023 2.212 4.034 . 0 0 "[ . 1 . 2]" 1
1389 1 34 ILE HG12 1 74 HIS QB 4.880 . 4.880 3.674 3.314 4.053 . 0 0 "[ . 1 . 2]" 1
1390 1 36 SER H 1 40 ASP QB 4.520 . 4.520 4.432 4.082 4.617 0.097 2 0 "[ . 1 . 2]" 1
1391 1 36 SER HA 1 37 ILE QG 4.560 . 4.560 4.334 4.114 4.620 0.060 17 0 "[ . 1 . 2]" 1
1392 1 36 SER HA 1 40 ASP QB 3.460 . 3.460 2.518 2.002 3.038 . 0 0 "[ . 1 . 2]" 1
1393 1 36 SER QB 1 37 ILE QG 4.390 . 4.390 2.627 2.269 3.175 . 0 0 "[ . 1 . 2]" 1
1394 1 37 ILE H 1 37 ILE QG 3.260 . 3.260 2.449 2.303 2.576 . 0 0 "[ . 1 . 2]" 1
1395 1 37 ILE QG 1 37 ILE MG 3.100 . 3.100 2.303 2.258 2.345 . 0 0 "[ . 1 . 2]" 1
1396 1 37 ILE QG 1 38 HIS H 4.300 . 4.300 4.172 4.084 4.299 . 0 0 "[ . 1 . 2]" 1
1397 1 37 ILE QG 1 38 HIS HD2 5.080 . 5.080 4.206 3.841 4.451 . 0 0 "[ . 1 . 2]" 1
1398 1 39 VAL H 1 40 ASP QB 4.660 . 4.660 4.410 4.240 4.559 . 0 0 "[ . 1 . 2]" 1
1399 1 39 VAL H 1 67 LEU QD 4.470 . 4.470 4.190 3.843 4.507 0.037 12 0 "[ . 1 . 2]" 1
1400 1 39 VAL HA 1 42 GLN QE 4.060 . 4.060 3.665 2.737 4.109 0.049 8 0 "[ . 1 . 2]" 1
1401 1 39 VAL HA 1 67 LEU QD 3.820 . 3.820 2.233 1.860 2.676 . 0 0 "[ . 1 . 2]" 1
1402 1 39 VAL HB 1 67 LEU QD 4.720 . 4.720 4.067 3.908 4.385 . 0 0 "[ . 1 . 2]" 1
1403 1 39 VAL MG1 1 64 GLN QE 3.880 . 3.880 2.016 1.769 2.262 . 0 0 "[ . 1 . 2]" 1
1404 1 39 VAL MG1 1 67 LEU QD 3.280 . 3.280 2.049 1.867 2.426 . 0 0 "[ . 1 . 2]" 1
1405 1 39 VAL MG2 1 67 LEU QD 3.420 . 3.420 2.224 1.973 2.462 . 0 0 "[ . 1 . 2]" 1
1406 1 39 VAL MG2 1 71 MET QG 3.830 . 3.830 2.746 1.818 3.868 0.038 8 0 "[ . 1 . 2]" 1
1407 1 40 ASP H 1 40 ASP QB 3.020 . 3.020 2.241 2.111 2.366 . 0 0 "[ . 1 . 2]" 1
1408 1 40 ASP QB 1 41 GLY H 3.610 . 3.610 3.018 2.689 3.276 . 0 0 "[ . 1 . 2]" 1
1409 1 42 GLN H 1 43 ARG QB 4.760 . 4.760 4.476 4.001 4.813 0.053 6 0 "[ . 1 . 2]" 1
1410 1 42 GLN H 1 67 LEU QD 4.850 . 4.850 4.446 3.952 4.961 0.111 15 0 "[ . 1 . 2]" 1
1411 1 42 GLN HA 1 42 GLN QE 4.670 . 4.670 4.223 3.767 4.541 . 0 0 "[ . 1 . 2]" 1
1412 1 42 GLN HB2 1 42 GLN QE 3.670 . 3.670 2.986 2.641 3.595 . 0 0 "[ . 1 . 2]" 1
1413 1 42 GLN HB2 1 67 LEU QD 4.560 . 4.560 3.131 2.704 3.765 . 0 0 "[ . 1 . 2]" 1
1414 1 42 GLN HB3 1 48 VAL QG 4.850 . 4.850 4.015 3.504 4.721 . 0 0 "[ . 1 . 2]" 1
1415 1 42 GLN QG 1 67 LEU QD 4.700 . 4.700 3.330 2.469 4.268 . 0 0 "[ . 1 . 2]" 1
1416 1 42 GLN QE 1 47 PHE HA 4.970 . 4.970 4.550 3.768 4.946 . 0 0 "[ . 1 . 2]" 1
1417 1 42 GLN QE 1 48 VAL H 3.650 . 3.650 3.307 2.671 3.685 0.035 4 0 "[ . 1 . 2]" 1
1418 1 42 GLN QE 1 48 VAL QG 4.150 . 4.150 3.779 3.150 4.288 0.138 4 0 "[ . 1 . 2]" 1
1419 1 42 GLN QE 1 67 LEU QD 3.540 . 3.540 2.822 2.118 3.468 . 0 0 "[ . 1 . 2]" 1
1420 1 43 ARG H 1 43 ARG QB 3.270 . 3.270 2.657 2.276 2.878 . 0 0 "[ . 1 . 2]" 1
1421 1 43 ARG H 1 43 ARG QD 4.460 . 4.460 3.873 3.331 4.314 . 0 0 "[ . 1 . 2]" 1
1422 1 43 ARG HA 1 43 ARG QD 4.750 . 4.750 4.189 2.200 4.544 . 0 0 "[ . 1 . 2]" 1
1423 1 43 ARG QB 1 43 ARG QD 3.330 . 3.330 2.209 2.094 2.364 . 0 0 "[ . 1 . 2]" 1
1424 1 43 ARG QB 1 44 GLY H 4.070 . 4.070 3.855 3.703 4.067 . 0 0 "[ . 1 . 2]" 1
1425 1 43 ARG QB 1 45 GLY H 4.880 . 4.880 4.087 3.815 4.411 . 0 0 "[ . 1 . 2]" 1
1426 1 44 GLY QA 1 46 VAL QG 4.220 . 4.220 3.909 3.700 4.137 . 0 0 "[ . 1 . 2]" 1
1427 1 45 GLY H 1 46 VAL QG 4.780 . 4.780 4.302 4.199 4.424 . 0 0 "[ . 1 . 2]" 1
1428 1 45 GLY QA 1 46 VAL H 3.080 . 3.080 2.869 2.787 2.923 . 0 0 "[ . 1 . 2]" 1
1429 1 45 GLY QA 1 46 VAL HA 4.570 . 4.570 3.980 3.899 4.043 . 0 0 "[ . 1 . 2]" 1
1430 1 45 GLY QA 1 105 PHE QE 4.170 . 4.170 2.888 2.057 3.761 . 0 0 "[ . 1 . 2]" 1
1431 1 46 VAL H 1 46 VAL QG 3.040 . 3.040 2.219 2.141 2.315 . 0 0 "[ . 1 . 2]" 1
1432 1 46 VAL H 1 48 VAL QG 5.370 . 5.370 5.278 4.758 5.487 0.117 9 0 "[ . 1 . 2]" 1
1433 1 46 VAL HA 1 46 VAL QG 2.940 . 2.940 2.314 2.280 2.364 . 0 0 "[ . 1 . 2]" 1
1434 1 46 VAL QG 1 47 PHE H 4.010 . 4.010 3.450 3.323 3.596 . 0 0 "[ . 1 . 2]" 1
1435 1 46 VAL QG 1 47 PHE HA 4.410 . 4.410 4.032 3.904 4.146 . 0 0 "[ . 1 . 2]" 1
1436 1 46 VAL QG 1 60 PRO HA 4.210 . 4.210 4.003 3.699 4.237 0.027 19 0 "[ . 1 . 2]" 1
1437 1 46 VAL QG 1 60 PRO HB2 3.010 . 3.010 2.532 2.242 2.734 . 0 0 "[ . 1 . 2]" 1
1438 1 46 VAL QG 1 60 PRO HB3 3.540 . 3.540 2.788 2.504 3.016 . 0 0 "[ . 1 . 2]" 1
1439 1 46 VAL QG 1 60 PRO HG3 4.180 . 4.180 3.518 3.273 3.690 . 0 0 "[ . 1 . 2]" 1
1440 1 46 VAL QG 1 62 THR H 4.670 . 4.670 4.163 3.676 4.644 . 0 0 "[ . 1 . 2]" 1
1441 1 46 VAL QG 1 62 THR HA 4.310 . 4.310 3.327 3.024 3.564 . 0 0 "[ . 1 . 2]" 1
1442 1 46 VAL QG 1 62 THR MG 3.550 . 3.550 1.958 1.874 2.101 . 0 0 "[ . 1 . 2]" 1
1443 1 47 PHE H 1 48 VAL QG 4.620 . 4.620 4.414 3.866 4.666 0.046 17 0 "[ . 1 . 2]" 1
1444 1 47 PHE H 1 61 SER QB 4.530 . 4.530 3.990 3.829 4.477 . 0 0 "[ . 1 . 2]" 1
1445 1 47 PHE H 1 67 LEU QD 4.740 . 4.740 4.413 4.009 4.739 . 0 0 "[ . 1 . 2]" 1
1446 1 47 PHE HA 1 48 VAL QG 4.390 . 4.390 3.150 3.042 3.337 . 0 0 "[ . 1 . 2]" 1
1447 1 47 PHE HB2 1 67 LEU QD 3.590 . 3.590 2.599 2.135 3.173 . 0 0 "[ . 1 . 2]" 1
1448 1 47 PHE HB3 1 67 LEU QD 3.760 . 3.760 2.038 1.794 2.598 . 0 0 "[ . 1 . 2]" 1
1449 1 47 PHE QD 1 67 LEU QD 3.650 . 3.650 3.058 2.444 3.520 . 0 0 "[ . 1 . 2]" 1
1450 1 48 VAL H 1 48 VAL QG 3.190 . 3.190 2.273 2.040 2.490 . 0 0 "[ . 1 . 2]" 1
1451 1 48 VAL H 1 67 LEU QD 3.510 . 3.510 3.134 2.856 3.556 0.046 18 0 "[ . 1 . 2]" 1
1452 1 48 VAL QG 1 49 CYS H 3.480 . 3.480 2.605 2.458 2.731 . 0 0 "[ . 1 . 2]" 1
1453 1 48 VAL QG 1 50 LEU HA 4.500 . 4.500 3.674 3.494 4.076 . 0 0 "[ . 1 . 2]" 1
1454 1 48 VAL QG 1 50 LEU MD2 3.340 . 3.340 2.037 1.773 2.637 . 0 0 "[ . 1 . 2]" 1
1455 1 48 VAL QG 1 57 TYR HA 4.600 . 4.600 3.913 3.340 4.348 . 0 0 "[ . 1 . 2]" 1
1456 1 48 VAL QG 1 58 ASN H 3.820 . 3.820 2.545 2.272 2.872 . 0 0 "[ . 1 . 2]" 1
1457 1 48 VAL QG 1 58 ASN HA 3.510 . 3.510 2.175 1.967 2.428 . 0 0 "[ . 1 . 2]" 1
1458 1 48 VAL QG 1 58 ASN HB3 4.590 . 4.590 4.418 4.224 4.604 0.014 8 0 "[ . 1 . 2]" 1
1459 1 48 VAL QG 1 58 ASN HD21 4.800 . 4.800 4.019 2.507 4.630 . 0 0 "[ . 1 . 2]" 1
1460 1 48 VAL QG 1 58 ASN HD22 5.440 . 5.440 4.415 3.529 4.771 . 0 0 "[ . 1 . 2]" 1
1461 1 48 VAL QG 1 59 THR H 3.720 . 3.720 2.106 1.917 2.360 . 0 0 "[ . 1 . 2]" 1
1462 1 48 VAL QG 1 59 THR MG 4.620 . 4.620 4.398 4.079 4.613 . 0 0 "[ . 1 . 2]" 1
1463 1 48 VAL QG 1 60 PRO HA 3.770 . 3.770 2.750 1.798 3.194 . 0 0 "[ . 1 . 2]" 1
1464 1 48 VAL QG 1 60 PRO HB3 3.530 . 3.530 2.687 1.792 3.382 . 0 0 "[ . 1 . 2]" 1
1465 1 48 VAL QG 1 60 PRO HG3 4.570 . 4.570 3.962 3.321 4.576 0.006 7 0 "[ . 1 . 2]" 1
1466 1 48 VAL QG 1 60 PRO QD 4.190 . 4.190 2.900 2.248 3.394 . 0 0 "[ . 1 . 2]" 1
1467 1 48 VAL QG 1 67 LEU QD 4.240 . 4.240 3.911 3.697 4.143 . 0 0 "[ . 1 . 2]" 1
1468 1 49 CYS H 1 67 LEU QD 4.180 . 4.180 3.408 3.037 3.702 . 0 0 "[ . 1 . 2]" 1
1469 1 51 TRP HH2 1 74 HIS QB 4.070 . 4.070 3.915 3.127 4.087 0.017 15 0 "[ . 1 . 2]" 1
1470 1 52 LYS QG 1 53 GLY H 4.000 . 4.000 4.006 3.774 4.077 0.077 3 0 "[ . 1 . 2]" 1
1471 1 61 SER H 1 61 SER QB 3.410 . 3.410 2.607 2.404 3.114 . 0 0 "[ . 1 . 2]" 1
1472 1 61 SER H 1 67 LEU QD 5.440 . 5.440 4.442 3.478 5.141 . 0 0 "[ . 1 . 2]" 1
1473 1 61 SER QB 1 62 THR H 3.560 . 3.560 3.052 2.469 3.566 0.006 6 0 "[ . 1 . 2]" 1
1474 1 61 SER QB 1 62 THR HA 4.880 . 4.880 4.484 4.224 4.725 . 0 0 "[ . 1 . 2]" 1
1475 1 61 SER QB 1 63 SER H 3.460 . 3.460 2.799 2.383 3.144 . 0 0 "[ . 1 . 2]" 1
1476 1 61 SER QB 1 63 SER QB 4.090 . 4.090 3.502 3.042 4.132 0.042 5 0 "[ . 1 . 2]" 1
1477 1 62 THR H 1 63 SER QB 4.440 . 4.440 4.201 3.893 4.449 0.009 18 0 "[ . 1 . 2]" 1
1478 1 63 SER H 1 63 SER QB 3.290 . 3.290 2.421 2.253 2.781 . 0 0 "[ . 1 . 2]" 1
1479 1 63 SER QB 1 64 GLN H 4.340 . 4.340 3.723 3.394 3.925 . 0 0 "[ . 1 . 2]" 1
1480 1 63 SER QB 1 66 TRP QB 3.330 . 3.330 2.034 1.884 2.531 . 0 0 "[ . 1 . 2]" 1
1481 1 64 GLN HA 1 67 LEU QD 5.060 . 5.060 3.781 3.426 4.205 . 0 0 "[ . 1 . 2]" 1
1482 1 64 GLN HB2 1 64 GLN QE 3.960 . 3.960 3.609 3.469 4.016 0.056 1 0 "[ . 1 . 2]" 1
1483 1 64 GLN HB2 1 83 VAL QG 3.930 . 3.930 3.778 3.506 3.989 0.059 10 0 "[ . 1 . 2]" 1
1484 1 64 GLN HB3 1 83 VAL QG 5.260 . 5.260 4.014 3.720 4.329 . 0 0 "[ . 1 . 2]" 1
1485 1 64 GLN HG2 1 83 VAL QG 5.440 . 5.440 2.196 1.921 2.546 . 0 0 "[ . 1 . 2]" 1
1486 1 64 GLN QE 1 68 GLN QG 4.260 . 4.260 2.398 1.964 2.943 . 0 0 "[ . 1 . 2]" 1
1487 1 64 GLN QE 1 68 GLN HE21 3.090 . 3.090 2.865 2.283 3.165 0.075 17 0 "[ . 1 . 2]" 1
1488 1 64 GLN QE 1 68 GLN HE22 4.140 . 4.140 3.963 2.517 4.176 0.036 20 0 "[ . 1 . 2]" 1
1489 1 64 GLN QE 1 83 VAL HB 4.790 . 4.790 3.910 1.710 4.837 0.047 12 0 "[ . 1 . 2]" 1
1490 1 64 GLN QE 1 83 VAL QG 4.250 . 4.250 2.779 2.160 3.352 . 0 0 "[ . 1 . 2]" 1
1491 1 65 SER H 1 66 TRP QB 5.240 . 5.240 4.341 4.179 4.601 . 0 0 "[ . 1 . 2]" 1
1492 1 66 TRP H 1 66 TRP QB 2.950 . 2.950 2.270 2.202 2.316 . 0 0 "[ . 1 . 2]" 1
1493 1 66 TRP HA 1 69 ARG QB 4.150 . 4.150 2.506 2.202 3.144 . 0 0 "[ . 1 . 2]" 1
1494 1 66 TRP QB 1 67 LEU H 3.160 . 3.160 2.502 2.332 2.608 . 0 0 "[ . 1 . 2]" 1
1495 1 67 LEU HA 1 67 LEU QD 3.410 . 3.410 2.135 2.008 2.239 . 0 0 "[ . 1 . 2]" 1
1496 1 67 LEU QD 1 68 GLN H 4.460 . 4.460 3.450 2.949 3.885 . 0 0 "[ . 1 . 2]" 1
1497 1 67 LEU QD 1 68 GLN QG 5.260 . 5.260 3.223 2.964 3.611 . 0 0 "[ . 1 . 2]" 1
1498 1 67 LEU QD 1 68 GLN HE21 5.440 . 5.440 4.830 4.475 5.240 . 0 0 "[ . 1 . 2]" 1
1499 1 67 LEU QD 1 70 HIS H 5.240 . 5.240 4.526 4.226 4.863 . 0 0 "[ . 1 . 2]" 1
1500 1 67 LEU QD 1 70 HIS HB3 4.030 . 4.030 3.232 2.594 3.712 . 0 0 "[ . 1 . 2]" 1
1501 1 67 LEU QD 1 71 MET H 4.830 . 4.830 3.900 3.627 4.393 . 0 0 "[ . 1 . 2]" 1
1502 1 67 LEU QD 1 71 MET QG 4.070 . 4.070 3.101 2.265 4.119 0.049 10 0 "[ . 1 . 2]" 1
1503 1 68 GLN HE21 1 94 GLN QE 3.780 . 3.780 3.424 2.933 3.745 . 0 0 "[ . 1 . 2]" 1
1504 1 68 GLN HE22 1 94 GLN QE 3.830 . 3.830 3.434 2.571 3.875 0.045 15 0 "[ . 1 . 2]" 1
1505 1 69 ARG H 1 69 ARG QB 2.770 . 2.770 2.216 2.075 2.318 . 0 0 "[ . 1 . 2]" 1
1506 1 69 ARG H 1 72 LEU QD 5.190 . 5.190 5.044 4.742 5.277 0.087 10 0 "[ . 1 . 2]" 1
1507 1 69 ARG HA 1 69 ARG QD 4.570 . 4.570 3.220 1.959 4.140 . 0 0 "[ . 1 . 2]" 1
1508 1 69 ARG HA 1 72 LEU QB 4.250 . 4.250 2.536 2.175 2.844 . 0 0 "[ . 1 . 2]" 1
1509 1 69 ARG HA 1 72 LEU QD 3.480 . 3.480 2.894 2.649 3.126 . 0 0 "[ . 1 . 2]" 1
1510 1 69 ARG QB 1 70 HIS H 3.010 . 3.010 2.677 2.426 2.893 . 0 0 "[ . 1 . 2]" 1
1511 1 69 ARG QD 1 72 LEU QD 4.850 . 4.850 3.604 2.098 4.863 0.013 13 0 "[ . 1 . 2]" 1
1512 1 70 HIS H 1 71 MET QG 4.570 . 4.570 4.304 3.916 4.603 0.033 4 0 "[ . 1 . 2]" 1
1513 1 70 HIS HB3 1 71 MET QG 4.630 . 4.630 3.832 3.228 4.684 0.054 12 0 "[ . 1 . 2]" 1
1514 1 71 MET QG 1 72 LEU H 4.580 . 4.580 3.564 2.357 4.359 . 0 0 "[ . 1 . 2]" 1
1515 1 72 LEU H 1 72 LEU QB 3.110 . 3.110 2.180 2.131 2.223 . 0 0 "[ . 1 . 2]" 1
1516 1 72 LEU HA 1 72 LEU QD 2.970 . 2.970 2.249 2.140 2.998 0.028 11 0 "[ . 1 . 2]" 1
1517 1 72 LEU QB 1 72 LEU QD 2.760 . 2.760 1.927 1.901 1.944 . 0 0 "[ . 1 . 2]" 1
1518 1 72 LEU QB 1 73 THR H 3.770 . 3.770 2.644 2.442 2.913 . 0 0 "[ . 1 . 2]" 1
1519 1 72 LEU QB 1 74 HIS H 4.960 . 4.960 4.500 4.380 4.605 . 0 0 "[ . 1 . 2]" 1
1520 1 72 LEU QD 1 73 THR H 4.730 . 4.730 3.903 3.207 4.093 . 0 0 "[ . 1 . 2]" 1
1521 1 72 LEU QD 1 73 THR HA 5.440 . 5.440 4.185 2.995 4.392 . 0 0 "[ . 1 . 2]" 1
1522 1 72 LEU QD 1 74 HIS H 5.400 . 5.400 4.951 4.413 5.228 . 0 0 "[ . 1 . 2]" 1
1523 1 72 LEU QD 1 75 SER H 5.440 . 5.440 4.953 4.660 5.180 . 0 0 "[ . 1 . 2]" 1
1524 1 72 LEU QD 1 76 GLY H 5.070 . 5.070 3.840 3.512 4.448 . 0 0 "[ . 1 . 2]" 1
1525 1 72 LEU QD 1 77 ASP H 4.000 . 4.000 2.575 2.058 3.264 . 0 0 "[ . 1 . 2]" 1
1526 1 73 THR H 1 74 HIS QB 5.190 . 5.190 4.563 4.356 4.829 . 0 0 "[ . 1 . 2]" 1
1527 1 74 HIS H 1 74 HIS QB 3.170 . 3.170 2.457 2.280 2.513 . 0 0 "[ . 1 . 2]" 1
1528 1 74 HIS QB 1 75 SER H 3.450 . 3.450 2.491 2.352 2.801 . 0 0 "[ . 1 . 2]" 1
1529 1 74 HIS QB 1 75 SER HA 5.340 . 5.340 3.896 3.665 4.060 . 0 0 "[ . 1 . 2]" 1
1530 1 74 HIS QB 1 76 GLY H 5.220 . 5.220 4.440 4.132 4.786 . 0 0 "[ . 1 . 2]" 1
1531 1 75 SER H 1 75 SER QB 3.410 . 3.410 2.653 2.297 2.860 . 0 0 "[ . 1 . 2]" 1
1532 1 75 SER QB 1 76 GLY H 4.260 . 4.260 3.206 2.805 3.593 . 0 0 "[ . 1 . 2]" 1
1533 1 78 LYS H 1 78 LYS QB 3.160 . 3.160 2.688 2.174 3.004 . 0 0 "[ . 1 . 2]" 1
1534 1 78 LYS H 1 78 LYS QG 4.110 . 4.110 4.115 3.899 4.215 0.105 20 0 "[ . 1 . 2]" 1
1535 1 78 LYS H 1 79 PRO QG 5.350 . 5.350 3.613 3.262 4.321 . 0 0 "[ . 1 . 2]" 1
1536 1 78 LYS HA 1 78 LYS QG 3.610 . 3.610 2.817 2.356 3.148 . 0 0 "[ . 1 . 2]" 1
1537 1 78 LYS QB 1 78 LYS QD 3.040 . 3.040 2.523 2.102 2.789 . 0 0 "[ . 1 . 2]" 1
1538 1 78 LYS QB 1 78 LYS QE 3.380 . 3.380 2.155 1.921 3.456 0.076 6 0 "[ . 1 . 2]" 1
1539 1 78 LYS QB 1 79 PRO HD2 4.840 . 4.840 2.539 2.206 2.951 . 0 0 "[ . 1 . 2]" 1
1540 1 78 LYS QB 1 79 PRO HD3 3.930 . 3.930 2.108 1.887 2.386 . 0 0 "[ . 1 . 2]" 1
1541 1 78 LYS QE 1 78 LYS QG 3.390 . 3.390 2.444 2.128 2.808 . 0 0 "[ . 1 . 2]" 1
1542 1 78 LYS QG 1 92 ALA H 5.110 . 5.110 5.089 4.720 5.167 0.057 6 0 "[ . 1 . 2]" 1
1543 1 78 LYS QG 1 92 ALA HA 4.080 . 4.080 2.646 2.235 2.977 . 0 0 "[ . 1 . 2]" 1
1544 1 78 LYS QG 1 92 ALA MB 4.060 . 4.060 2.640 2.309 3.243 . 0 0 "[ . 1 . 2]" 1
1545 1 79 PRO QB 1 90 SER QB 4.220 . 4.220 2.820 2.163 3.249 . 0 0 "[ . 1 . 2]" 1
1546 1 79 PRO QB 1 92 ALA HA 4.710 . 4.710 3.870 3.399 4.654 . 0 0 "[ . 1 . 2]" 1
1547 1 79 PRO QG 1 80 PHE H 5.030 . 5.030 4.725 4.546 4.915 . 0 0 "[ . 1 . 2]" 1
1548 1 79 PRO QG 1 90 SER QB 4.830 . 4.830 4.510 3.715 4.864 0.034 9 0 "[ . 1 . 2]" 1
1549 1 80 PHE H 1 90 SER QB 4.030 . 4.030 4.083 4.034 4.122 0.092 16 0 "[ . 1 . 2]" 1
1550 1 80 PHE QD 1 94 GLN QE 3.940 . 3.940 3.099 2.437 4.016 0.076 12 0 "[ . 1 . 2]" 1
1551 1 81 LYS H 1 81 LYS QG 3.870 . 3.870 2.538 1.869 3.639 . 0 0 "[ . 1 . 2]" 1
1552 1 81 LYS HA 1 90 SER QB 3.640 . 3.640 2.748 2.352 3.012 . 0 0 "[ . 1 . 2]" 1
1553 1 81 LYS QG 1 89 ALA H 5.330 . 5.330 4.703 4.258 5.317 . 0 0 "[ . 1 . 2]" 1
1554 1 81 LYS QG 1 90 SER H 4.830 . 4.830 4.872 4.781 4.942 0.112 11 0 "[ . 1 . 2]" 1
1555 1 81 LYS QG 1 90 SER HA 4.320 . 4.320 3.422 3.123 3.664 . 0 0 "[ . 1 . 2]" 1
1556 1 81 LYS QG 1 90 SER QB 3.280 . 3.280 2.095 1.839 2.591 . 0 0 "[ . 1 . 2]" 1
1557 1 82 CYS HA 1 83 VAL QG 4.790 . 4.790 3.485 2.993 3.881 . 0 0 "[ . 1 . 2]" 1
1558 1 83 VAL H 1 83 VAL QG 3.170 . 3.170 1.963 1.787 2.292 . 0 0 "[ . 1 . 2]" 1
1559 1 83 VAL HA 1 83 VAL QG 2.910 . 2.910 2.286 2.103 2.432 . 0 0 "[ . 1 . 2]" 1
1560 1 83 VAL QG 1 84 VAL H 3.450 . 3.450 2.661 2.307 3.357 . 0 0 "[ . 1 . 2]" 1
1561 1 83 VAL QG 1 84 VAL HA 4.160 . 4.160 3.193 2.973 3.521 . 0 0 "[ . 1 . 2]" 1
1562 1 83 VAL QG 1 84 VAL MG2 3.390 . 3.390 2.500 2.045 3.475 0.085 12 0 "[ . 1 . 2]" 1
1563 1 83 VAL QG 1 97 LEU HG 5.440 . 5.440 4.869 3.935 5.474 0.034 17 0 "[ . 1 . 2]" 1
1564 1 83 VAL QG 1 101 VAL MG1 3.660 . 3.660 2.174 1.842 2.645 . 0 0 "[ . 1 . 2]" 1
1565 1 83 VAL QG 1 101 VAL MG2 3.620 . 3.620 2.451 2.128 2.671 . 0 0 "[ . 1 . 2]" 1
1566 1 86 GLY QA 1 87 CYS H 3.130 . 3.130 2.884 2.788 2.954 . 0 0 "[ . 1 . 2]" 1
1567 1 86 GLY QA 1 87 CYS HA 5.240 . 5.240 3.988 3.959 4.017 . 0 0 "[ . 1 . 2]" 1
1568 1 86 GLY QA 1 87 CYS HB2 4.720 . 4.720 4.463 4.327 4.604 . 0 0 "[ . 1 . 2]" 1
1569 1 88 ASN H 1 88 ASN QB 3.430 . 3.430 2.791 2.554 3.209 . 0 0 "[ . 1 . 2]" 1
1570 1 88 ASN H 1 88 ASN QD 5.060 . 5.060 3.946 2.788 4.917 . 0 0 "[ . 1 . 2]" 1
1571 1 88 ASN QB 1 88 ASN QD 3.020 . 3.020 2.230 2.098 2.740 . 0 0 "[ . 1 . 2]" 1
1572 1 88 ASN QB 1 90 SER H 5.180 . 5.180 5.126 4.788 5.250 0.070 18 0 "[ . 1 . 2]" 1
1573 1 92 ALA MB 1 93 SER QB 5.040 . 5.040 4.045 3.549 4.407 . 0 0 "[ . 1 . 2]" 1
1574 1 93 SER QB 1 94 GLN H 3.180 . 3.180 2.773 2.437 3.290 0.110 19 0 "[ . 1 . 2]" 1
1575 1 93 SER QB 1 95 GLY H 4.250 . 4.250 2.856 2.539 3.330 . 0 0 "[ . 1 . 2]" 1
1576 1 93 SER QB 1 96 GLY H 4.330 . 4.330 3.664 3.083 4.261 . 0 0 "[ . 1 . 2]" 1
1577 1 94 GLN HA 1 94 GLN QE 4.660 . 4.660 3.840 3.268 4.538 . 0 0 "[ . 1 . 2]" 1
1578 1 94 GLN QE 1 97 LEU MD1 5.100 . 5.100 4.257 3.482 4.964 . 0 0 "[ . 1 . 2]" 1
1579 1 94 GLN QE 1 97 LEU MD2 3.860 . 3.860 2.385 1.908 3.188 . 0 0 "[ . 1 . 2]" 1
1580 1 94 GLN QE 1 98 ALA MB 4.460 . 4.460 4.247 2.796 4.547 0.087 2 0 "[ . 1 . 2]" 1
1581 1 94 GLN QE 1 101 VAL MG2 5.340 . 5.340 4.777 4.380 5.303 . 0 0 "[ . 1 . 2]" 1
1582 1 99 ARG HA 1 102 PRO QG 3.760 . 3.760 2.788 2.603 2.961 . 0 0 "[ . 1 . 2]" 1
1583 1 101 VAL MG1 1 102 PRO QG 5.050 . 5.050 4.639 4.510 4.769 . 0 0 "[ . 1 . 2]" 1
1584 1 102 PRO QB 1 103 THR H 3.830 . 3.830 3.582 3.528 3.687 . 0 0 "[ . 1 . 2]" 1
1585 1 102 PRO QB 1 103 THR MG 5.120 . 5.120 3.890 3.686 4.115 . 0 0 "[ . 1 . 2]" 1
1586 1 102 PRO QB 1 104 HIS H 5.290 . 5.290 4.895 4.733 5.073 . 0 0 "[ . 1 . 2]" 1
1587 1 102 PRO QB 1 105 PHE H 4.840 . 4.840 4.617 4.385 4.819 . 0 0 "[ . 1 . 2]" 1
1588 1 107 GLN H 1 107 GLN QB 3.560 . 3.560 2.565 2.208 3.386 . 0 0 "[ . 1 . 2]" 1
1589 1 107 GLN QB 1 109 ASN H 5.340 . 5.340 3.978 1.912 4.798 . 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 18
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 15 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 15 CYS SG 1 20 CYS SG 3.900 . 3.900 3.176 3.135 3.267 . 0 0 "[ . 1 . 2]" 2
2 1 15 CYS SG 1 33 HIS NE2 3.700 . 3.700 3.033 2.918 3.089 . 0 0 "[ . 1 . 2]" 2
3 1 15 CYS SG 1 38 HIS NE2 3.700 . 3.700 3.162 3.019 3.222 . 0 0 "[ . 1 . 2]" 2
4 1 20 CYS SG 1 33 HIS NE2 3.700 . 3.700 2.928 2.837 3.156 . 0 0 "[ . 1 . 2]" 2
5 1 20 CYS SG 1 38 HIS NE2 3.700 . 3.700 3.235 3.073 3.337 . 0 0 "[ . 1 . 2]" 2
6 1 33 HIS NE2 1 38 HIS NE2 3.300 . 3.300 2.974 2.923 3.125 . 0 0 "[ . 1 . 2]" 2
7 1 49 CYS SG 1 54 CYS SG 3.900 . 3.900 3.141 3.112 3.195 . 0 0 "[ . 1 . 2]" 2
8 1 49 CYS SG 1 70 HIS NE2 3.700 . 3.700 2.984 2.909 3.043 . 0 0 "[ . 1 . 2]" 2
9 1 49 CYS SG 1 74 HIS NE2 3.700 . 3.700 3.399 3.194 3.539 . 0 0 "[ . 1 . 2]" 2
10 1 54 CYS SG 1 70 HIS NE2 3.700 . 3.700 2.924 2.877 2.996 . 0 0 "[ . 1 . 2]" 2
11 1 54 CYS SG 1 74 HIS NE2 3.700 . 3.700 3.027 2.926 3.169 . 0 0 "[ . 1 . 2]" 2
12 1 70 HIS NE2 1 74 HIS NE2 3.300 . 3.300 2.952 2.832 3.056 . 0 0 "[ . 1 . 2]" 2
13 1 82 CYS SG 1 87 CYS SG 3.900 . 3.900 3.095 3.060 3.134 . 0 0 "[ . 1 . 2]" 2
14 1 82 CYS SG 1 100 HIS NE2 3.700 . 3.700 3.056 3.023 3.092 . 0 0 "[ . 1 . 2]" 2
15 1 82 CYS SG 1 104 HIS NE2 3.700 . 3.700 3.273 3.144 3.387 . 0 0 "[ . 1 . 2]" 2
16 1 87 CYS SG 1 100 HIS NE2 3.700 . 3.700 2.935 2.889 2.984 . 0 0 "[ . 1 . 2]" 2
17 1 87 CYS SG 1 104 HIS NE2 3.700 . 3.700 3.101 3.024 3.186 . 0 0 "[ . 1 . 2]" 2
18 1 100 HIS NE2 1 104 HIS NE2 3.300 . 3.300 2.886 2.827 2.948 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 16
_Distance_constraint_stats_list.Viol_count 1
_Distance_constraint_stats_list.Viol_total 0.019
_Distance_constraint_stats_list.Viol_max 0.001
_Distance_constraint_stats_list.Viol_rms 0.0001
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0010
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 27 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ASP 0.001 0.001 9 0 "[ . 1 . 2]"
1 30 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 HIS 0.001 0.001 9 0 "[ . 1 . 2]"
1 34 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 27 SER O 1 31 ALA H 2.500 . 2.500 1.762 1.649 1.931 . 0 0 "[ . 1 . 2]" 3
2 1 27 SER O 1 31 ALA N 3.500 . 3.500 2.724 2.632 2.906 . 0 0 "[ . 1 . 2]" 3
3 1 28 PRO O 1 32 ASP H 2.500 . 2.500 1.913 1.832 2.205 . 0 0 "[ . 1 . 2]" 3
4 1 28 PRO O 1 32 ASP N 3.500 . 3.500 2.812 2.748 3.071 . 0 0 "[ . 1 . 2]" 3
5 1 29 ASP O 1 33 HIS H 2.500 . 2.500 2.156 1.995 2.501 0.001 9 0 "[ . 1 . 2]" 3
6 1 29 ASP O 1 33 HIS N 3.500 . 3.500 3.086 2.943 3.461 . 0 0 "[ . 1 . 2]" 3
7 1 30 LEU O 1 34 ILE H 2.500 . 2.500 1.853 1.794 1.974 . 0 0 "[ . 1 . 2]" 3
8 1 30 LEU O 1 34 ILE N 3.500 . 3.500 2.830 2.776 2.952 . 0 0 "[ . 1 . 2]" 3
9 1 31 ALA O 1 35 ARG H 2.500 . 2.500 1.835 1.734 1.938 . 0 0 "[ . 1 . 2]" 3
10 1 31 ALA O 1 35 ARG N 3.500 . 3.500 2.780 2.704 2.860 . 0 0 "[ . 1 . 2]" 3
11 1 32 ASP O 1 36 SER H 2.500 . 2.500 1.996 1.759 2.158 . 0 0 "[ . 1 . 2]" 3
12 1 32 ASP O 1 36 SER N 3.500 . 3.500 2.824 2.662 2.947 . 0 0 "[ . 1 . 2]" 3
13 1 33 HIS O 1 37 ILE H 2.500 . 2.500 1.779 1.722 1.926 . 0 0 "[ . 1 . 2]" 3
14 1 33 HIS O 1 37 ILE N 3.500 . 3.500 2.748 2.684 2.898 . 0 0 "[ . 1 . 2]" 3
15 1 34 ILE O 1 38 HIS H 2.500 . 2.500 2.043 1.963 2.116 . 0 0 "[ . 1 . 2]" 3
16 1 34 ILE O 1 38 HIS N 3.500 . 3.500 2.830 2.766 2.889 . 0 0 "[ . 1 . 2]" 3
stop_
save_
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