NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
430203 |
2jnt   |
6943 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jnt
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 1407
_Distance_constraint_stats_list.Viol_count 777
_Distance_constraint_stats_list.Viol_total 462.868
_Distance_constraint_stats_list.Viol_max 0.379
_Distance_constraint_stats_list.Viol_rms 0.0183
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0033
_Distance_constraint_stats_list.Viol_average_violations_only 0.0596
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 THR 0.000 0.000 . 0 "[ . 1]"
1 3 ASP 0.122 0.096 4 0 "[ . 1]"
1 4 LYS 1.913 0.155 3 0 "[ . 1]"
1 5 TYR 1.920 0.188 7 0 "[ . 1]"
1 6 ASP 0.863 0.161 9 0 "[ . 1]"
1 7 LYS 3.518 0.288 6 0 "[ . 1]"
1 8 ILE 0.628 0.120 7 0 "[ . 1]"
1 9 ASN 5.300 0.379 8 0 "[ . 1]"
1 10 LEU 2.685 0.154 9 0 "[ . 1]"
1 11 GLN 2.477 0.144 8 0 "[ . 1]"
1 12 GLU 2.406 0.281 9 0 "[ . 1]"
1 13 ILE 1.862 0.179 2 0 "[ . 1]"
1 14 LEU 2.537 0.215 4 0 "[ . 1]"
1 15 GLU 0.826 0.161 1 0 "[ . 1]"
1 16 ASN 0.800 0.096 6 0 "[ . 1]"
1 17 LYS 0.827 0.077 10 0 "[ . 1]"
1 18 ARG 1.926 0.379 8 0 "[ . 1]"
1 19 LEU 0.884 0.096 6 0 "[ . 1]"
1 20 LEU 3.039 0.179 2 0 "[ . 1]"
1 21 GLU 1.054 0.088 1 0 "[ . 1]"
1 22 SER 1.133 0.112 4 0 "[ . 1]"
1 23 TYR 5.062 0.288 6 0 "[ . 1]"
1 24 MET 0.535 0.087 8 0 "[ . 1]"
1 25 ASP 0.491 0.065 3 0 "[ . 1]"
1 26 CYS 0.572 0.136 5 0 "[ . 1]"
1 27 VAL 0.158 0.077 10 0 "[ . 1]"
1 28 LEU 1.469 0.149 1 0 "[ . 1]"
1 29 GLY 0.052 0.018 4 0 "[ . 1]"
1 30 LYS 1.259 0.127 6 0 "[ . 1]"
1 31 GLY 0.699 0.149 1 0 "[ . 1]"
1 32 LYS 0.246 0.127 2 0 "[ . 1]"
1 33 CYS 3.043 0.379 8 0 "[ . 1]"
1 34 THR 0.933 0.205 1 0 "[ . 1]"
1 35 PRO 0.357 0.123 3 0 "[ . 1]"
1 36 GLU 0.553 0.123 3 0 "[ . 1]"
1 37 GLY 0.195 0.070 8 0 "[ . 1]"
1 38 LYS 0.885 0.100 8 0 "[ . 1]"
1 39 GLU 2.432 0.180 5 0 "[ . 1]"
1 40 LEU 3.367 0.253 5 0 "[ . 1]"
1 41 LYS 1.888 0.136 5 0 "[ . 1]"
1 42 ASP 0.137 0.092 9 0 "[ . 1]"
1 43 HIS 0.096 0.047 3 0 "[ . 1]"
1 44 LEU 0.830 0.159 4 0 "[ . 1]"
1 45 GLN 2.561 0.154 9 0 "[ . 1]"
1 46 GLU 0.930 0.160 6 0 "[ . 1]"
1 47 ALA 0.440 0.082 10 0 "[ . 1]"
1 48 LEU 0.272 0.097 6 0 "[ . 1]"
1 49 GLU 0.847 0.160 6 0 "[ . 1]"
1 50 THR 0.716 0.097 6 0 "[ . 1]"
1 51 GLY 0.226 0.067 10 0 "[ . 1]"
1 52 CYS 1.139 0.117 5 0 "[ . 1]"
1 53 GLU 0.586 0.080 7 0 "[ . 1]"
1 54 LYS 0.208 0.081 7 0 "[ . 1]"
1 55 CYS 1.097 0.118 2 0 "[ . 1]"
1 56 THR 0.492 0.121 7 0 "[ . 1]"
1 57 GLU 0.000 0.000 . 0 "[ . 1]"
1 58 ALA 0.203 0.041 10 0 "[ . 1]"
1 59 GLN 0.227 0.094 8 0 "[ . 1]"
1 60 GLU 1.612 0.177 9 0 "[ . 1]"
1 61 LYS 0.335 0.177 9 0 "[ . 1]"
1 62 GLY 0.269 0.139 1 0 "[ . 1]"
1 63 ALA 0.000 0.000 . 0 "[ . 1]"
1 64 GLU 1.236 0.139 1 0 "[ . 1]"
1 65 THR 2.016 0.215 4 0 "[ . 1]"
1 66 SER 0.423 0.081 7 0 "[ . 1]"
1 67 ILE 0.450 0.082 10 0 "[ . 1]"
1 68 ASP 0.064 0.053 1 0 "[ . 1]"
1 69 TYR 1.207 0.161 1 0 "[ . 1]"
1 70 LEU 1.990 0.144 8 0 "[ . 1]"
1 71 ILE 0.337 0.075 2 0 "[ . 1]"
1 72 LYS 0.802 0.203 1 0 "[ . 1]"
1 73 ASN 1.902 0.379 8 0 "[ . 1]"
1 74 GLU 0.476 0.203 1 0 "[ . 1]"
1 75 LEU 0.731 0.087 4 0 "[ . 1]"
1 76 GLU 0.007 0.005 1 0 "[ . 1]"
1 77 ILE 0.559 0.065 3 0 "[ . 1]"
1 78 TRP 0.000 0.000 . 0 "[ . 1]"
1 79 LYS 0.172 0.089 7 0 "[ . 1]"
1 80 GLU 0.502 0.089 7 0 "[ . 1]"
1 81 LEU 0.997 0.107 1 0 "[ . 1]"
1 82 THR 0.861 0.123 5 0 "[ . 1]"
1 83 ALA 0.000 0.000 . 0 "[ . 1]"
1 84 HIS 0.000 0.000 . 0 "[ . 1]"
1 85 PHE 0.028 0.018 9 0 "[ . 1]"
1 86 ASP 0.191 0.080 6 0 "[ . 1]"
1 87 PRO 0.769 0.123 5 0 "[ . 1]"
1 88 ASP 0.000 0.000 . 0 "[ . 1]"
1 89 GLY 0.000 0.000 . 0 "[ . 1]"
1 90 LYS 0.318 0.101 5 0 "[ . 1]"
1 91 TRP 0.765 0.130 5 0 "[ . 1]"
1 92 ARG 0.921 0.130 5 0 "[ . 1]"
1 93 LYS 0.278 0.107 1 0 "[ . 1]"
1 94 LYS 0.073 0.058 7 0 "[ . 1]"
1 95 TYR 0.195 0.075 2 0 "[ . 1]"
1 96 GLU 0.006 0.006 2 0 "[ . 1]"
1 97 ASP 0.000 0.000 . 0 "[ . 1]"
1 98 ARG 0.049 0.040 7 0 "[ . 1]"
1 99 ALA 0.355 0.065 5 0 "[ . 1]"
1 100 LYS 0.350 0.053 9 0 "[ . 1]"
1 101 ALA 0.120 0.054 8 0 "[ . 1]"
1 102 LYS 0.847 0.139 7 0 "[ . 1]"
1 103 GLY 0.264 0.108 4 0 "[ . 1]"
1 104 ILE 0.744 0.068 5 0 "[ . 1]"
1 105 VAL 0.000 0.000 . 0 "[ . 1]"
1 106 ILE 0.939 0.161 6 0 "[ . 1]"
1 107 PRO 0.492 0.161 6 0 "[ . 1]"
1 108 GLU 0.256 0.141 8 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 LYS HD3 1 5 TYR QE 3.401 2.013 5.789 5.339 4.346 5.814 0.025 7 0 "[ . 1]" 1
2 1 5 TYR HA 1 23 TYR HB2 2.916 . 4.936 2.638 2.249 3.163 . 0 0 "[ . 1]" 1
3 1 5 TYR HB2 1 6 ASP H 3.253 . 5.523 3.791 3.048 4.413 . 0 0 "[ . 1]" 1
4 1 6 ASP H 1 6 ASP HB2 3.017 . 5.109 2.932 2.210 3.627 . 0 0 "[ . 1]" 1
5 1 6 ASP H 1 6 ASP HB3 3.366 2.006 5.726 2.842 2.206 3.726 . 0 0 "[ . 1]" 1
6 1 15 GLU HB2 1 69 TYR HB2 2.698 . 4.572 4.655 4.583 4.733 0.161 1 0 "[ . 1]" 1
7 1 8 ILE MD 1 8 ILE HG13 2.320 . 3.966 2.132 2.116 2.146 . 0 0 "[ . 1]" 1
8 1 8 ILE MD 1 8 ILE HG12 2.315 . 3.958 2.104 2.093 2.115 . 0 0 "[ . 1]" 1
9 1 8 ILE HB 1 8 ILE MD 2.462 . 4.189 2.418 2.392 2.455 . 0 0 "[ . 1]" 1
10 1 8 ILE HB 1 8 ILE MG 2.254 . 3.864 2.128 2.117 2.135 . 0 0 "[ . 1]" 1
11 1 8 ILE HA 1 8 ILE MG 2.504 . 4.256 2.293 2.248 2.334 . 0 0 "[ . 1]" 1
12 1 10 LEU HB2 1 10 LEU MD1 2.554 . 4.336 2.608 2.148 3.207 . 0 0 "[ . 1]" 1
13 1 10 LEU HB3 1 10 LEU MD1 2.875 . 4.867 2.631 2.427 3.150 . 0 0 "[ . 1]" 1
14 1 10 LEU MD1 1 10 LEU MD2 2.546 . 4.324 2.077 2.006 2.122 . 0 0 "[ . 1]" 1
15 1 10 LEU HB2 1 10 LEU MD2 3.001 . 5.082 2.701 2.219 3.161 . 0 0 "[ . 1]" 1
16 1 10 LEU MD1 1 10 LEU HG 3.038 . 5.145 2.093 2.049 2.132 . 0 0 "[ . 1]" 1
17 1 11 GLN HA 1 11 GLN QG 2.925 . 4.952 2.784 2.522 3.017 . 0 0 "[ . 1]" 1
18 1 12 GLU HA 1 12 GLU QG 2.604 . 4.418 2.935 2.479 3.573 . 0 0 "[ . 1]" 1
19 1 12 GLU H 1 12 GLU HB2 2.639 . 4.474 2.701 2.364 3.649 . 0 0 "[ . 1]" 1
20 1 12 GLU H 1 12 GLU HB3 2.822 . 4.778 3.409 2.385 3.628 . 0 0 "[ . 1]" 1
21 1 13 ILE MD 1 13 ILE HG13 2.443 . 4.159 2.093 2.072 2.107 . 0 0 "[ . 1]" 1
22 1 13 ILE H 1 13 ILE MG 2.976 . 5.039 3.613 3.555 3.738 . 0 0 "[ . 1]" 1
23 1 13 ILE HA 1 13 ILE MG 2.762 . 4.677 2.517 2.331 2.617 . 0 0 "[ . 1]" 1
24 1 14 LEU HA 1 14 LEU MD1 2.995 . 5.072 2.113 1.996 2.417 . 0 0 "[ . 1]" 1
25 1 14 LEU HB3 1 14 LEU MD1 2.533 . 4.303 3.194 3.180 3.215 . 0 0 "[ . 1]" 1
26 1 14 LEU HB2 1 14 LEU MD1 2.758 . 4.671 2.369 2.316 2.567 . 0 0 "[ . 1]" 1
27 1 14 LEU H 1 14 LEU MD2 3.180 . 5.393 4.050 3.523 4.168 . 0 0 "[ . 1]" 1
28 1 14 LEU HA 1 14 LEU HG 3.215 . 5.456 3.047 2.729 3.248 . 0 0 "[ . 1]" 1
29 1 15 GLU H 1 15 GLU QG 3.473 2.026 5.920 3.929 3.870 3.989 . 0 0 "[ . 1]" 1
30 1 16 ASN H 1 16 ASN HB3 3.244 . 5.507 3.860 3.787 3.927 . 0 0 "[ . 1]" 1
31 1 17 LYS H 1 17 LYS HB3 2.841 . 4.810 2.672 2.554 2.839 . 0 0 "[ . 1]" 1
32 1 17 LYS HB2 1 18 ARG H 3.173 . 5.381 3.904 3.674 4.118 . 0 0 "[ . 1]" 1
33 1 17 LYS HA 1 17 LYS HD3 3.022 . 5.118 4.346 3.891 5.195 0.077 10 0 "[ . 1]" 1
34 1 17 LYS HB2 1 17 LYS HG2 2.552 . 4.333 2.529 2.462 2.559 . 0 0 "[ . 1]" 1
35 1 19 LEU HA 1 19 LEU MD1 2.871 . 4.860 3.472 2.055 3.869 . 0 0 "[ . 1]" 1
36 1 19 LEU HA 1 19 LEU MD2 2.613 . 4.432 2.124 1.978 2.595 . 0 0 "[ . 1]" 1
37 1 20 LEU H 1 20 LEU MD1 3.432 2.019 5.845 3.059 2.196 3.910 . 0 0 "[ . 1]" 1
38 1 21 GLU H 1 21 GLU HB3 3.011 . 5.099 3.509 3.495 3.531 . 0 0 "[ . 1]" 1
39 1 22 SER HA 1 22 SER HB2 2.618 . 4.440 3.038 3.013 3.081 . 0 0 "[ . 1]" 1
40 1 22 SER H 1 22 SER HB2 3.046 . 5.159 2.626 2.546 2.799 . 0 0 "[ . 1]" 1
41 1 24 MET HA 1 24 MET QB 2.557 . 4.342 2.435 2.382 2.488 . 0 0 "[ . 1]" 1
42 1 25 ASP HA 1 25 ASP HB3 2.837 . 4.803 2.996 2.984 3.023 . 0 0 "[ . 1]" 1
43 1 25 ASP HA 1 30 LYS HG3 2.701 . 4.576 4.239 3.860 4.606 0.030 4 0 "[ . 1]" 1
44 1 25 ASP H 1 25 ASP HB2 3.255 . 5.527 2.695 2.570 2.770 . 0 0 "[ . 1]" 1
45 1 27 VAL HA 1 27 VAL MG1 3.000 . 5.080 2.427 2.403 2.444 . 0 0 "[ . 1]" 1
46 1 27 VAL HA 1 27 VAL MG2 2.826 . 4.784 2.359 2.286 2.401 . 0 0 "[ . 1]" 1
47 1 28 LEU HB2 1 28 LEU MD2 3.343 2.002 5.684 2.393 2.321 2.447 . 0 0 "[ . 1]" 1
48 1 28 LEU HB3 1 28 LEU MD2 3.385 2.010 5.760 2.578 2.255 3.221 . 0 0 "[ . 1]" 1
49 1 28 LEU MD1 1 28 LEU MD2 2.488 . 4.231 2.073 2.047 2.099 . 0 0 "[ . 1]" 1
50 1 28 LEU HA 1 28 LEU MD2 2.739 . 4.639 3.360 2.077 3.882 . 0 0 "[ . 1]" 1
51 1 30 LYS HA 1 30 LYS HB2 2.639 . 4.474 3.003 2.986 3.015 . 0 0 "[ . 1]" 1
52 1 30 LYS HB3 1 30 LYS QD 2.301 . 3.937 2.515 2.221 2.990 . 0 0 "[ . 1]" 1
53 1 30 LYS H 1 30 LYS QD 3.310 . 5.625 4.360 3.968 4.900 . 0 0 "[ . 1]" 1
54 1 30 LYS HB2 1 30 LYS QE 2.736 . 4.634 3.451 2.359 4.055 . 0 0 "[ . 1]" 1
55 1 30 LYS HA 1 30 LYS HG3 3.226 . 5.475 3.207 3.096 3.431 . 0 0 "[ . 1]" 1
56 1 30 LYS HB2 1 30 LYS HG2 2.947 . 4.989 3.001 2.968 3.029 . 0 0 "[ . 1]" 1
57 1 32 LYS H 1 32 LYS QE 3.132 . 5.309 4.847 4.405 5.120 . 0 0 "[ . 1]" 1
58 1 32 LYS QB 1 32 LYS HG2 2.135 . 3.682 2.339 2.280 2.368 . 0 0 "[ . 1]" 1
59 1 34 THR HA 1 34 THR MG 2.486 . 4.228 2.469 2.200 3.242 . 0 0 "[ . 1]" 1
60 1 34 THR HB 1 34 THR MG 2.375 . 4.052 2.139 2.119 2.151 . 0 0 "[ . 1]" 1
61 1 36 GLU H 1 36 GLU HG3 3.093 . 5.241 4.362 3.474 4.494 . 0 0 "[ . 1]" 1
62 1 36 GLU H 1 36 GLU HG2 3.267 . 5.548 4.269 2.323 4.575 . 0 0 "[ . 1]" 1
63 1 38 LYS HA 1 41 LYS HD2 2.862 . 4.845 3.415 2.671 4.063 . 0 0 "[ . 1]" 1
64 1 38 LYS H 1 38 LYS HB3 3.115 . 5.279 3.621 3.561 3.668 . 0 0 "[ . 1]" 1
65 1 17 LYS HA 1 17 LYS HB2 2.923 . 4.948 2.444 2.385 2.488 . 0 0 "[ . 1]" 1
66 1 38 LYS HA 1 38 LYS HG2 2.830 . 4.791 2.552 2.294 2.776 . 0 0 "[ . 1]" 1
67 1 39 GLU H 1 39 GLU HB3 3.095 . 5.244 3.137 2.413 3.636 . 0 0 "[ . 1]" 1
68 1 40 LEU HA 1 40 LEU MD1 2.739 . 4.639 3.268 2.428 3.673 . 0 0 "[ . 1]" 1
69 1 40 LEU HA 1 40 LEU HG 3.100 . 5.253 3.627 3.115 3.860 . 0 0 "[ . 1]" 1
70 1 105 VAL HA 1 106 ILE HG12 3.510 2.031 5.989 4.847 4.073 5.324 . 0 0 "[ . 1]" 1
71 1 40 LEU MD1 1 40 LEU HG 2.460 . 4.186 2.142 2.123 2.172 . 0 0 "[ . 1]" 1
72 1 40 LEU HA 1 40 LEU MD2 3.549 2.038 6.060 4.094 4.018 4.165 . 0 0 "[ . 1]" 1
73 1 40 LEU HB3 1 40 LEU MD2 2.879 . 4.874 2.221 2.183 2.273 . 0 0 "[ . 1]" 1
74 1 41 LYS HD3 1 41 LYS QE 2.314 . 3.956 2.306 2.174 2.366 . 0 0 "[ . 1]" 1
75 1 41 LYS HD2 1 41 LYS QE 2.411 . 4.109 2.346 2.302 2.390 . 0 0 "[ . 1]" 1
76 1 44 LEU HA 1 44 LEU MD2 2.634 . 4.466 3.319 3.232 3.424 . 0 0 "[ . 1]" 1
77 1 44 LEU H 1 44 LEU MD1 3.212 . 5.450 4.163 4.094 4.225 . 0 0 "[ . 1]" 1
78 1 46 GLU HB3 1 46 GLU QG 2.632 . 4.463 2.338 2.153 2.491 . 0 0 "[ . 1]" 1
79 1 46 GLU H 1 46 GLU QG 3.470 2.025 5.915 3.992 3.924 4.124 . 0 0 "[ . 1]" 1
80 1 47 ALA H 1 47 ALA MB 2.866 . 4.852 2.231 2.189 2.270 . 0 0 "[ . 1]" 1
81 1 48 LEU HA 1 48 LEU MD1 2.555 . 4.339 3.349 2.144 3.863 . 0 0 "[ . 1]" 1
82 1 50 THR HA 1 50 THR MG 2.463 . 4.191 2.334 2.226 2.513 . 0 0 "[ . 1]" 1
83 1 50 THR HB 1 50 THR MG 2.420 . 4.123 2.144 2.134 2.150 . 0 0 "[ . 1]" 1
84 1 52 CYS HA 1 52 CYS HB3 2.755 . 4.666 2.889 2.357 3.032 . 0 0 "[ . 1]" 1
85 1 53 GLU HA 1 53 GLU HB2 2.609 . 4.426 2.564 2.415 3.010 . 0 0 "[ . 1]" 1
86 1 54 LYS HA 1 54 LYS HG2 2.935 . 4.969 4.167 3.789 4.283 . 0 0 "[ . 1]" 1
87 1 54 LYS HA 1 54 LYS QB 2.902 . 4.912 2.162 2.149 2.188 . 0 0 "[ . 1]" 1
88 1 54 LYS H 1 54 LYS QD 2.850 . 4.824 3.148 2.592 3.986 . 0 0 "[ . 1]" 1
89 1 54 LYS QB 1 54 LYS QE 2.401 . 4.093 2.521 1.940 3.697 . 0 0 "[ . 1]" 1
90 1 54 LYS QB 1 54 LYS HG2 2.397 . 4.087 2.187 2.152 2.316 . 0 0 "[ . 1]" 1
91 1 56 THR HA 1 56 THR MG 2.286 . 3.913 2.312 2.231 2.399 . 0 0 "[ . 1]" 1
92 1 56 THR HB 1 56 THR MG 2.350 . 4.013 2.148 2.134 2.154 . 0 0 "[ . 1]" 1
93 1 58 ALA H 1 58 ALA MB 2.217 . 3.807 2.260 2.227 2.315 . 0 0 "[ . 1]" 1
94 1 58 ALA HA 1 58 ALA MB 2.054 . 3.560 2.133 2.123 2.139 . 0 0 "[ . 1]" 1
95 1 76 GLU HB2 1 76 GLU HG2 2.363 . 4.033 2.457 2.388 2.537 . 0 0 "[ . 1]" 1
96 1 61 LYS HA 1 61 LYS QB 2.478 . 4.215 2.381 2.334 2.434 . 0 0 "[ . 1]" 1
97 1 61 LYS H 1 61 LYS QG 3.150 . 5.340 2.686 2.149 3.951 . 0 0 "[ . 1]" 1
98 1 63 ALA HA 1 63 ALA MB 2.492 . 4.237 2.130 2.121 2.138 . 0 0 "[ . 1]" 1
99 1 65 THR HA 1 65 THR MG 2.366 . 4.038 2.497 2.265 3.249 . 0 0 "[ . 1]" 1
100 1 65 THR HB 1 65 THR MG 2.380 . 4.060 2.133 2.116 2.150 . 0 0 "[ . 1]" 1
101 1 67 ILE HA 1 67 ILE MD 3.250 . 5.517 3.860 3.790 3.907 . 0 0 "[ . 1]" 1
102 1 67 ILE HA 1 67 ILE HG13 3.222 . 5.468 2.892 2.787 3.004 . 0 0 "[ . 1]" 1
103 1 67 ILE HA 1 67 ILE HG12 3.237 . 5.494 2.566 2.452 2.685 . 0 0 "[ . 1]" 1
104 1 67 ILE MD 1 67 ILE MG 2.613 . 4.432 2.031 1.938 2.149 . 0 0 "[ . 1]" 1
105 1 67 ILE HB 1 67 ILE MG 2.778 . 4.704 2.134 2.125 2.140 . 0 0 "[ . 1]" 1
106 1 67 ILE H 1 67 ILE MG 3.013 . 5.102 3.764 3.735 3.793 . 0 0 "[ . 1]" 1
107 1 70 LEU MD1 1 70 LEU HG 2.352 . 4.016 2.136 2.108 2.157 . 0 0 "[ . 1]" 1
108 1 70 LEU HA 1 70 LEU MD1 2.506 . 4.259 2.539 1.974 3.647 . 0 0 "[ . 1]" 1
109 1 70 LEU H 1 70 LEU MD1 3.063 . 5.189 4.029 3.920 4.176 . 0 0 "[ . 1]" 1
110 1 70 LEU MD2 1 70 LEU HG 2.682 . 4.545 2.122 2.107 2.142 . 0 0 "[ . 1]" 1
111 1 70 LEU H 1 70 LEU MD2 3.270 . 5.553 4.232 4.160 4.321 . 0 0 "[ . 1]" 1
112 1 71 ILE HB 1 71 ILE MD 2.937 . 4.972 2.935 2.442 3.262 . 0 0 "[ . 1]" 1
113 1 71 ILE HA 1 71 ILE MD 3.349 2.003 5.695 2.769 2.044 3.848 . 0 0 "[ . 1]" 1
114 1 71 ILE HA 1 71 ILE MG 2.792 . 4.728 2.467 2.408 2.591 . 0 0 "[ . 1]" 1
115 1 71 ILE MD 1 71 ILE MG 2.318 . 3.963 1.974 1.910 2.057 . 0 0 "[ . 1]" 1
116 1 72 LYS H 1 72 LYS QB 3.017 . 5.109 2.579 2.322 2.771 . 0 0 "[ . 1]" 1
117 1 73 ASN HA 1 73 ASN QB 3.335 . 5.670 2.375 2.335 2.412 . 0 0 "[ . 1]" 1
118 1 74 GLU H 1 74 GLU QB 2.983 . 5.051 2.594 2.396 2.847 . 0 0 "[ . 1]" 1
119 1 75 LEU HA 1 75 LEU MD2 3.313 . 5.630 3.903 3.659 4.110 . 0 0 "[ . 1]" 1
120 1 75 LEU H 1 75 LEU QB 3.051 . 5.168 2.377 2.207 2.700 . 0 0 "[ . 1]" 1
121 1 75 LEU QB 1 75 LEU MD1 2.220 . 3.811 2.316 2.279 2.409 . 0 0 "[ . 1]" 1
122 1 75 LEU MD1 1 75 LEU MD2 2.251 . 3.859 2.082 2.055 2.094 . 0 0 "[ . 1]" 1
123 1 75 LEU QB 1 75 LEU MD2 2.294 . 3.926 2.110 2.085 2.293 . 0 0 "[ . 1]" 1
124 1 75 LEU MD2 1 75 LEU HG 2.945 . 4.986 2.125 2.115 2.133 . 0 0 "[ . 1]" 1
125 1 75 LEU H 1 75 LEU HG 3.016 . 5.108 3.948 1.909 4.541 0.015 8 0 "[ . 1]" 1
126 1 76 GLU HA 1 76 GLU HG2 2.646 . 4.486 3.287 2.965 3.800 . 0 0 "[ . 1]" 1
127 1 76 GLU H 1 76 GLU HB3 2.950 . 4.994 3.369 2.705 3.624 . 0 0 "[ . 1]" 1
128 1 76 GLU HB3 1 76 GLU HG2 2.420 . 4.123 3.004 2.991 3.017 . 0 0 "[ . 1]" 1
129 1 77 ILE HA 1 77 ILE HG12 2.841 . 4.810 2.879 2.398 3.121 . 0 0 "[ . 1]" 1
130 1 77 ILE MD 1 77 ILE HG13 2.291 . 3.921 2.121 2.109 2.131 . 0 0 "[ . 1]" 1
131 1 77 ILE H 1 77 ILE MD 2.922 . 4.946 3.399 3.153 3.779 . 0 0 "[ . 1]" 1
132 1 77 ILE HB 1 77 ILE MG 2.478 . 4.215 2.139 2.129 2.150 . 0 0 "[ . 1]" 1
133 1 77 ILE HA 1 77 ILE MG 2.629 . 4.459 2.452 2.389 2.520 . 0 0 "[ . 1]" 1
134 1 77 ILE H 1 77 ILE MG 3.044 . 5.156 3.786 3.758 3.807 . 0 0 "[ . 1]" 1
135 1 78 TRP HB3 1 79 LYS HA 3.101 . 5.255 4.307 4.199 4.444 . 0 0 "[ . 1]" 1
136 1 80 GLU HA 1 80 GLU HG2 2.563 . 4.351 2.492 2.341 2.840 . 0 0 "[ . 1]" 1
137 1 81 LEU HA 1 81 LEU MD2 2.755 . 4.666 2.240 2.031 2.799 . 0 0 "[ . 1]" 1
138 1 82 THR HB 1 82 THR MG 2.785 . 4.716 2.136 2.117 2.150 . 0 0 "[ . 1]" 1
139 1 82 THR HA 1 82 THR MG 2.862 . 4.845 2.352 2.233 2.574 . 0 0 "[ . 1]" 1
140 1 83 ALA MB 1 84 HIS HA 3.264 . 5.542 3.923 3.838 3.978 . 0 0 "[ . 1]" 1
141 1 85 PHE H 1 85 PHE HA 2.879 . 4.874 2.915 2.869 2.953 . 0 0 "[ . 1]" 1
142 1 87 PRO HA 1 87 PRO HB3 2.554 . 4.336 2.271 2.207 2.303 . 0 0 "[ . 1]" 1
143 1 87 PRO HB3 1 87 PRO HD2 3.466 2.024 5.908 3.873 3.771 3.975 . 0 0 "[ . 1]" 1
144 1 87 PRO HB2 1 87 PRO HD2 3.444 2.020 5.868 3.809 2.925 4.079 . 0 0 "[ . 1]" 1
145 1 88 ASP HA 1 88 ASP QB 2.921 . 4.945 2.361 2.192 2.448 . 0 0 "[ . 1]" 1
146 1 91 TRP HA 1 91 TRP QB 3.184 . 5.401 2.414 2.367 2.483 . 0 0 "[ . 1]" 1
147 1 93 LYS HA 1 93 LYS QB 2.439 . 4.153 2.360 2.298 2.404 . 0 0 "[ . 1]" 1
148 1 93 LYS QB 1 93 LYS HG3 2.575 . 4.371 2.373 2.310 2.454 . 0 0 "[ . 1]" 1
149 1 94 LYS HA 1 94 LYS QB 2.927 . 4.955 2.361 2.183 2.450 . 0 0 "[ . 1]" 1
150 1 94 LYS HD2 1 94 LYS QE 2.469 . 4.201 2.276 2.151 2.359 . 0 0 "[ . 1]" 1
151 1 94 LYS HD3 1 94 LYS QE 2.362 . 4.031 2.310 2.168 2.409 . 0 0 "[ . 1]" 1
152 1 94 LYS H 1 94 LYS QG 3.183 . 5.399 2.933 1.974 4.131 . 0 0 "[ . 1]" 1
153 1 97 ASP HA 1 97 ASP HB3 2.755 . 4.666 3.011 3.001 3.026 . 0 0 "[ . 1]" 1
154 1 97 ASP HA 1 97 ASP HB2 2.987 . 5.058 2.421 2.364 2.505 . 0 0 "[ . 1]" 1
155 1 99 ALA HA 1 99 ALA MB 2.472 . 4.205 2.128 2.118 2.140 . 0 0 "[ . 1]" 1
156 1 101 ALA H 1 101 ALA MB 2.068 . 3.581 2.265 2.225 2.332 . 0 0 "[ . 1]" 1
157 1 101 ALA HA 1 101 ALA MB 2.007 . 3.490 2.128 2.115 2.137 . 0 0 "[ . 1]" 1
158 1 104 ILE HA 1 104 ILE HG13 2.987 . 5.058 3.770 3.719 3.811 . 0 0 "[ . 1]" 1
159 1 104 ILE HA 1 104 ILE MD 2.609 . 4.426 2.057 1.941 2.119 . 0 0 "[ . 1]" 1
160 1 104 ILE HB 1 104 ILE MD 2.953 . 5.000 3.234 3.217 3.250 . 0 0 "[ . 1]" 1
161 1 104 ILE MD 1 104 ILE MG 2.188 . 3.762 2.039 1.948 2.114 . 0 0 "[ . 1]" 1
162 1 104 ILE HB 1 104 ILE MG 2.327 . 3.977 2.125 2.108 2.149 . 0 0 "[ . 1]" 1
163 1 104 ILE HA 1 104 ILE MG 2.589 . 4.394 2.452 2.393 2.520 . 0 0 "[ . 1]" 1
164 1 104 ILE H 1 104 ILE MG 3.071 . 5.203 3.775 3.731 3.824 . 0 0 "[ . 1]" 1
165 1 105 VAL HB 1 105 VAL MG2 2.011 . 3.496 2.133 2.116 2.144 . 0 0 "[ . 1]" 1
166 1 105 VAL HA 1 105 VAL MG2 2.348 . 4.009 2.743 2.366 3.230 . 0 0 "[ . 1]" 1
167 1 105 VAL HB 1 105 VAL MG1 2.036 . 3.533 2.120 2.097 2.131 . 0 0 "[ . 1]" 1
168 1 105 VAL HA 1 105 VAL MG1 2.246 . 3.851 2.862 2.270 3.250 . 0 0 "[ . 1]" 1
169 1 105 VAL H 1 105 VAL MG1 2.360 . 4.029 2.266 1.961 2.664 . 0 0 "[ . 1]" 1
170 1 106 ILE H 1 106 ILE HB 2.926 . 4.954 3.878 3.819 3.921 . 0 0 "[ . 1]" 1
171 1 106 ILE MD 1 106 ILE HG12 2.101 . 3.631 2.129 2.092 2.197 . 0 0 "[ . 1]" 1
172 1 106 ILE HB 1 106 ILE MD 2.316 . 3.960 3.057 2.520 3.277 . 0 0 "[ . 1]" 1
173 1 106 ILE HA 1 106 ILE MG 2.429 . 4.137 2.467 2.396 2.563 . 0 0 "[ . 1]" 1
174 1 107 PRO HA 1 107 PRO HB2 2.483 . 4.223 2.857 2.618 2.984 . 0 0 "[ . 1]" 1
175 1 107 PRO HA 1 107 PRO HB3 2.489 . 4.233 2.275 2.177 2.317 . 0 0 "[ . 1]" 1
176 1 107 PRO HB2 1 108 GLU H 2.800 . 4.740 3.913 3.176 4.210 . 0 0 "[ . 1]" 1
177 1 107 PRO HB3 1 108 GLU H 2.932 . 4.964 3.977 3.634 4.212 . 0 0 "[ . 1]" 1
178 1 107 PRO HA 1 107 PRO HG2 2.907 . 4.921 3.916 3.766 4.030 . 0 0 "[ . 1]" 1
179 1 108 GLU HA 1 108 GLU HB2 2.618 . 4.440 2.575 2.460 3.038 . 0 0 "[ . 1]" 1
180 1 108 GLU H 1 108 GLU HB2 2.976 . 5.039 3.527 2.496 3.832 . 0 0 "[ . 1]" 1
181 1 108 GLU HA 1 108 GLU QG 2.661 . 4.511 3.251 2.535 3.567 . 0 0 "[ . 1]" 1
182 1 102 LYS HA 1 102 LYS HB2 2.643 . 4.482 3.010 2.974 3.028 . 0 0 "[ . 1]" 1
183 1 102 LYS H 1 102 LYS HB2 3.053 . 5.171 2.491 2.195 2.795 . 0 0 "[ . 1]" 1
184 1 102 LYS HA 1 102 LYS HG2 3.218 . 5.461 3.132 2.619 3.686 . 0 0 "[ . 1]" 1
185 1 17 LYS HG2 1 18 ARG HB3 2.239 . 3.841 3.743 3.327 3.884 0.043 1 0 "[ . 1]" 1
186 1 100 LYS H 1 100 LYS HB3 2.830 . 4.791 3.143 2.580 3.644 . 0 0 "[ . 1]" 1
187 1 100 LYS HA 1 100 LYS HB3 2.618 . 4.440 2.732 2.426 3.025 . 0 0 "[ . 1]" 1
188 1 4 LYS HA 1 4 LYS HB2 2.768 . 4.688 3.023 3.001 3.035 . 0 0 "[ . 1]" 1
189 1 4 LYS H 1 4 LYS HB2 3.156 . 5.351 3.268 2.536 3.766 . 0 0 "[ . 1]" 1
190 1 4 LYS HB2 1 4 LYS QG 2.837 . 4.803 2.291 2.145 2.406 . 0 0 "[ . 1]" 1
191 1 4 LYS HB3 1 4 LYS QG 2.837 . 4.803 2.344 2.167 2.392 . 0 0 "[ . 1]" 1
192 1 5 TYR HA 1 23 TYR HA 2.765 . 4.682 3.069 2.527 3.791 . 0 0 "[ . 1]" 1
193 1 8 ILE H 1 8 ILE MG 2.706 . 4.585 2.502 2.154 2.692 . 0 0 "[ . 1]" 1
194 1 8 ILE HG12 1 8 ILE MG 2.497 . 4.245 2.360 2.312 2.414 . 0 0 "[ . 1]" 1
195 1 8 ILE HB 1 8 ILE HG12 2.983 . 5.051 3.024 3.010 3.033 . 0 0 "[ . 1]" 1
196 1 8 ILE HA 1 8 ILE HB 2.752 . 4.661 2.506 2.480 2.545 . 0 0 "[ . 1]" 1
197 1 8 ILE HA 1 8 ILE HG12 3.562 2.039 6.085 3.730 3.684 3.768 . 0 0 "[ . 1]" 1
198 1 7 LYS HA 1 8 ILE HG13 3.670 2.053 6.287 6.151 5.526 6.328 0.041 1 0 "[ . 1]" 1
199 1 4 LYS HA 1 8 ILE HG13 3.656 2.052 6.260 6.248 5.942 6.380 0.120 7 0 "[ . 1]" 1
200 1 8 ILE HB 1 8 ILE HG13 2.980 . 5.046 2.524 2.470 2.589 . 0 0 "[ . 1]" 1
201 1 8 ILE H 1 8 ILE MD 3.256 . 5.528 3.620 3.545 3.678 . 0 0 "[ . 1]" 1
202 1 9 ASN HB3 1 9 ASN HD21 3.180 . 5.394 3.265 2.929 3.542 . 0 0 "[ . 1]" 1
203 1 8 ILE HA 1 9 ASN HB3 3.468 2.025 5.911 5.040 4.574 5.274 . 0 0 "[ . 1]" 1
204 1 9 ASN HB3 1 12 GLU HB3 3.315 . 5.634 5.010 3.919 5.673 0.039 1 0 "[ . 1]" 1
205 1 9 ASN H 1 9 ASN HB2 3.062 . 5.187 3.743 3.495 3.979 . 0 0 "[ . 1]" 1
206 1 5 TYR HA 1 9 ASN HB3 3.165 . 5.367 5.229 4.704 5.469 0.102 9 0 "[ . 1]" 1
207 1 10 LEU HA 1 13 ILE HB 2.742 . 4.644 3.470 2.796 3.868 . 0 0 "[ . 1]" 1
208 1 10 LEU HG 1 41 LYS QB 3.373 2.008 5.738 5.560 4.424 5.838 0.100 1 0 "[ . 1]" 1
209 1 10 LEU HG 1 41 LYS HG3 2.943 . 4.983 4.561 3.145 5.061 0.078 3 0 "[ . 1]" 1
210 1 100 LYS HD3 1 106 ILE HG13 2.709 . 4.590 4.193 2.657 4.636 0.046 9 0 "[ . 1]" 1
211 1 10 LEU HB2 1 10 LEU HG 2.916 . 4.936 2.679 2.522 2.997 . 0 0 "[ . 1]" 1
212 1 10 LEU MD1 1 44 LEU MD1 2.316 . 3.960 2.207 1.815 2.677 . 0 0 "[ . 1]" 1
213 1 10 LEU HA 1 10 LEU MD2 3.519 2.033 6.005 2.913 2.172 3.489 . 0 0 "[ . 1]" 1
214 1 11 GLN HA 1 11 GLN HB2 2.911 . 4.928 2.647 2.431 2.979 . 0 0 "[ . 1]" 1
215 1 11 GLN HA 1 14 LEU MD2 2.974 . 5.036 3.118 2.663 3.397 . 0 0 "[ . 1]" 1
216 1 87 PRO HG2 1 88 ASP H 3.496 2.029 5.963 3.173 2.781 3.872 . 0 0 "[ . 1]" 1
217 1 11 GLN HB3 1 11 GLN QG 2.571 . 4.364 2.193 2.144 2.348 . 0 0 "[ . 1]" 1
218 1 11 GLN HE21 1 11 GLN QG 2.690 . 4.558 2.705 2.190 2.978 . 0 0 "[ . 1]" 1
219 1 11 GLN QG 1 12 GLU H 3.428 2.018 5.838 4.266 3.970 4.783 . 0 0 "[ . 1]" 1
220 1 11 GLN QG 1 65 THR MG 3.366 2.010 5.726 2.968 2.063 4.204 . 0 0 "[ . 1]" 1
221 1 12 GLU HA 1 13 ILE H 3.162 . 5.362 3.332 3.112 3.447 . 0 0 "[ . 1]" 1
222 1 9 ASN HA 1 12 GLU HB2 3.692 2.056 6.328 3.234 2.034 5.810 0.022 2 0 "[ . 1]" 1
223 1 12 GLU HB2 1 12 GLU QG 2.076 . 3.593 2.233 2.133 2.345 . 0 0 "[ . 1]" 1
224 1 18 ARG HA 1 18 ARG HB3 2.822 . 4.778 2.379 2.327 2.474 . 0 0 "[ . 1]" 1
225 1 12 GLU HA 1 12 GLU HB3 2.663 . 4.514 2.509 2.281 3.027 . 0 0 "[ . 1]" 1
226 1 12 GLU HB3 1 12 GLU QG 2.158 . 3.717 2.277 2.148 2.417 . 0 0 "[ . 1]" 1
227 1 9 ASN HD22 1 13 ILE HB 3.370 2.007 5.733 3.988 3.080 5.160 . 0 0 "[ . 1]" 1
228 1 13 ILE HG13 1 23 TYR HB2 3.116 . 5.281 3.921 3.757 4.043 . 0 0 "[ . 1]" 1
229 1 13 ILE MG 1 14 LEU HA 2.695 . 4.567 2.926 2.769 3.077 . 0 0 "[ . 1]" 1
230 1 13 ILE HG13 1 13 ILE MG 2.478 . 4.215 2.276 2.176 2.336 . 0 0 "[ . 1]" 1
231 1 13 ILE HA 1 13 ILE MD 3.109 . 5.269 2.007 1.957 2.111 . 0 0 "[ . 1]" 1
232 1 13 ILE HB 1 13 ILE MD 2.782 . 4.711 3.216 3.182 3.244 . 0 0 "[ . 1]" 1
233 1 14 LEU HA 1 14 LEU HB2 2.796 . 4.734 2.498 2.408 2.977 . 0 0 "[ . 1]" 1
234 1 14 LEU HA 1 14 LEU HB3 2.749 . 4.656 2.941 2.527 2.996 . 0 0 "[ . 1]" 1
235 1 14 LEU HA 1 20 LEU MD1 2.778 . 4.704 2.133 1.798 3.105 0.054 5 0 "[ . 1]" 1
236 1 14 LEU H 1 14 LEU MD1 3.151 . 5.343 3.735 2.012 4.036 . 0 0 "[ . 1]" 1
237 1 14 LEU MD1 1 70 LEU HG 3.233 . 5.487 3.907 2.543 5.230 . 0 0 "[ . 1]" 1
238 1 36 GLU HG3 1 40 LEU MD2 3.394 2.011 5.777 3.658 2.260 5.516 . 0 0 "[ . 1]" 1
239 1 14 LEU MD1 1 14 LEU HG 2.858 . 4.838 2.124 2.100 2.137 . 0 0 "[ . 1]" 1
240 1 14 LEU MD2 1 70 LEU HG 3.077 . 5.213 4.881 4.099 5.269 0.056 7 0 "[ . 1]" 1
241 1 14 LEU HB3 1 14 LEU MD2 2.646 . 4.486 2.278 2.221 2.408 . 0 0 "[ . 1]" 1
242 1 15 GLU HA 1 15 GLU QG 3.206 . 5.439 2.542 2.414 2.660 . 0 0 "[ . 1]" 1
243 1 15 GLU HA 1 15 GLU HB3 2.911 . 4.928 3.011 2.994 3.026 . 0 0 "[ . 1]" 1
244 1 17 LYS HA 1 20 LEU H 3.291 . 5.590 2.926 2.704 3.267 . 0 0 "[ . 1]" 1
245 1 38 LYS HB2 1 38 LYS HG2 2.548 . 4.327 2.900 2.565 2.997 . 0 0 "[ . 1]" 1
246 1 17 LYS HE2 1 17 LYS HG2 2.964 . 5.019 3.347 2.466 4.184 . 0 0 "[ . 1]" 1
247 1 17 LYS HG2 1 21 GLU HG3 3.132 . 5.309 5.241 4.817 5.363 0.054 2 0 "[ . 1]" 1
248 1 18 ARG HA 1 21 GLU HG3 3.044 . 5.156 3.080 2.719 3.653 . 0 0 "[ . 1]" 1
249 1 19 LEU HA 1 19 LEU HB3 2.969 . 5.027 2.493 2.461 2.548 . 0 0 "[ . 1]" 1
250 1 16 ASN HD21 1 19 LEU MD1 3.214 . 5.454 2.478 1.922 4.641 0.052 5 0 "[ . 1]" 1
251 1 16 ASN HB2 1 19 LEU MD1 3.180 . 5.393 2.770 2.343 4.335 . 0 0 "[ . 1]" 1
252 1 20 LEU HA 1 20 LEU MD1 2.858 . 4.838 2.706 1.939 3.858 . 0 0 "[ . 1]" 1
253 1 20 LEU MD1 1 20 LEU MD2 2.175 . 3.743 2.035 1.984 2.057 . 0 0 "[ . 1]" 1
254 1 20 LEU HA 1 20 LEU MD2 2.373 . 4.049 3.436 1.944 3.839 . 0 0 "[ . 1]" 1
255 1 41 LYS HA 1 43 HIS HB2 3.381 2.010 5.752 5.544 5.165 5.799 0.047 3 0 "[ . 1]" 1
256 1 41 LYS HA 1 41 LYS HG2 3.020 . 5.114 2.744 2.623 2.854 . 0 0 "[ . 1]" 1
257 1 21 GLU HB2 1 21 GLU HG2 2.833 . 4.796 2.462 2.433 2.534 . 0 0 "[ . 1]" 1
258 1 21 GLU HA 1 21 GLU HG3 2.884 . 4.882 3.686 3.629 3.785 . 0 0 "[ . 1]" 1
259 1 21 GLU H 1 21 GLU HG3 3.117 . 5.283 3.591 3.410 3.752 . 0 0 "[ . 1]" 1
260 1 27 VAL HB 1 28 LEU MD2 3.590 2.043 6.137 5.112 3.026 5.540 . 0 0 "[ . 1]" 1
261 1 24 MET HA 1 27 VAL MG1 2.943 . 4.982 4.075 3.987 4.244 . 0 0 "[ . 1]" 1
262 1 27 VAL MG1 1 28 LEU HB3 2.792 . 4.728 4.440 4.316 4.805 0.077 10 0 "[ . 1]" 1
263 1 28 LEU HB2 1 28 LEU MD1 3.322 . 5.646 2.611 2.308 3.232 . 0 0 "[ . 1]" 1
264 1 30 LYS H 1 30 LYS HB3 3.713 2.059 6.367 3.752 3.635 3.954 . 0 0 "[ . 1]" 1
265 1 30 LYS HA 1 30 LYS HG2 3.423 2.017 5.829 2.484 2.416 2.579 . 0 0 "[ . 1]" 1
266 1 30 LYS QE 1 30 LYS HG2 3.229 . 5.480 2.715 2.389 3.347 . 0 0 "[ . 1]" 1
267 1 100 LYS QG 1 108 GLU HB3 2.850 . 4.824 4.288 3.731 4.877 0.053 9 0 "[ . 1]" 1
268 1 16 ASN HA 1 17 LYS HD2 2.811 . 4.759 4.101 3.346 4.646 . 0 0 "[ . 1]" 1
269 1 30 LYS QD 1 30 LYS QE 2.162 . 3.723 2.058 2.003 2.099 . 0 0 "[ . 1]" 1
270 1 31 GLY HA2 1 32 LYS H 2.775 . 4.699 3.335 3.234 3.413 . 0 0 "[ . 1]" 1
271 1 25 ASP HB3 1 31 GLY HA2 3.085 . 5.227 5.179 4.997 5.253 0.026 1 0 "[ . 1]" 1
272 1 33 CYS HA 1 34 THR MG 2.845 . 4.817 4.038 3.719 5.022 0.205 1 0 "[ . 1]" 1
273 1 36 GLU HG3 1 40 LEU H 3.055 . 5.175 4.975 4.601 5.276 0.101 4 0 "[ . 1]" 1
274 1 79 LYS HB2 1 80 GLU HG3 2.446 . 4.164 3.532 2.775 4.253 0.089 7 0 "[ . 1]" 1
275 1 31 GLY HA3 1 32 LYS HG2 3.162 . 5.362 3.920 3.607 4.295 . 0 0 "[ . 1]" 1
276 1 33 CYS HB3 1 38 LYS HG2 3.186 . 5.404 3.814 2.462 4.678 . 0 0 "[ . 1]" 1
277 1 94 LYS QE 1 94 LYS QG 2.939 . 4.975 2.317 2.127 2.788 . 0 0 "[ . 1]" 1
278 1 77 ILE HA 1 80 GLU HG3 2.811 . 4.759 2.915 2.083 3.813 . 0 0 "[ . 1]" 1
279 1 77 ILE MD 1 80 GLU HG3 3.124 . 5.295 4.381 3.802 5.354 0.059 10 0 "[ . 1]" 1
280 1 39 GLU HA 1 41 LYS H 3.153 . 5.346 4.444 3.930 4.758 . 0 0 "[ . 1]" 1
281 1 57 GLU H 1 57 GLU HB2 2.875 . 4.867 3.159 2.351 3.650 . 0 0 "[ . 1]" 1
282 1 39 GLU HB3 1 42 ASP HB3 3.245 . 5.508 4.881 3.809 5.600 0.092 9 0 "[ . 1]" 1
283 1 40 LEU HB2 1 40 LEU MD1 2.792 . 4.728 2.317 2.223 2.364 . 0 0 "[ . 1]" 1
284 1 106 ILE HG12 1 107 PRO HB3 3.685 2.055 6.315 6.132 5.650 6.476 0.161 6 0 "[ . 1]" 1
285 1 41 LYS HA 1 41 LYS HD3 2.833 . 4.796 4.523 4.441 4.584 . 0 0 "[ . 1]" 1
286 1 46 GLU HA 1 46 GLU QG 2.565 . 4.355 2.635 2.481 3.005 . 0 0 "[ . 1]" 1
287 1 46 GLU HA 1 46 GLU HB3 2.975 . 5.037 3.020 3.003 3.030 . 0 0 "[ . 1]" 1
288 1 46 GLU QG 1 47 ALA HA 3.349 2.003 5.695 3.694 3.336 4.690 . 0 0 "[ . 1]" 1
289 1 47 ALA MB 1 60 GLU HA 3.229 . 5.480 3.943 3.433 4.578 . 0 0 "[ . 1]" 1
290 1 47 ALA MB 1 48 LEU HA 3.474 2.025 5.923 3.912 3.771 4.061 . 0 0 "[ . 1]" 1
291 1 52 CYS HA 1 54 LYS HG3 3.369 2.007 5.731 4.167 3.439 5.146 . 0 0 "[ . 1]" 1
292 1 54 LYS HA 1 55 CYS HA 3.130 . 5.305 4.628 4.523 4.709 . 0 0 "[ . 1]" 1
293 1 54 LYS QD 1 55 CYS HA 2.778 . 4.704 3.502 2.967 4.785 0.081 7 0 "[ . 1]" 1
294 1 54 LYS QB 1 54 LYS QD 2.293 . 3.924 2.573 2.086 2.805 . 0 0 "[ . 1]" 1
295 1 55 CYS HA 1 56 THR H 2.676 . 4.535 3.383 2.648 3.578 . 0 0 "[ . 1]" 1
296 1 56 THR HA 1 58 ALA H 2.854 . 4.831 4.525 4.283 4.854 0.023 4 0 "[ . 1]" 1
297 1 56 THR MG 1 57 GLU H 2.559 . 4.345 3.147 2.051 3.701 . 0 0 "[ . 1]" 1
298 1 57 GLU HA 1 57 GLU HB2 2.573 . 4.367 2.445 2.393 2.488 . 0 0 "[ . 1]" 1
299 1 58 ALA HA 1 61 LYS QB 2.814 . 4.764 3.214 2.739 3.599 . 0 0 "[ . 1]" 1
300 1 57 GLU HG2 1 58 ALA MB 2.850 . 4.824 3.898 3.044 4.419 . 0 0 "[ . 1]" 1
301 1 60 GLU HA 1 60 GLU HG3 2.648 . 4.490 3.644 3.126 3.798 . 0 0 "[ . 1]" 1
302 1 71 ILE HA 1 75 LEU HA 3.244 . 5.507 3.285 2.934 3.645 . 0 0 "[ . 1]" 1
303 1 61 LYS QB 1 61 LYS QG 2.676 . 4.535 2.042 1.990 2.090 . 0 0 "[ . 1]" 1
304 1 93 LYS HG3 1 97 ASP HB2 3.598 2.044 6.152 4.075 2.894 5.219 . 0 0 "[ . 1]" 1
305 1 63 ALA MB 1 67 ILE MD 2.923 . 4.948 2.505 2.099 3.053 . 0 0 "[ . 1]" 1
306 1 60 GLU HA 1 63 ALA MB 2.690 . 4.558 2.717 2.337 3.107 . 0 0 "[ . 1]" 1
307 1 67 ILE HG12 1 98 ARG HB2 3.033 . 5.137 4.838 4.490 5.177 0.040 7 0 "[ . 1]" 1
308 1 67 ILE HA 1 67 ILE MG 2.902 . 4.912 2.505 2.446 2.578 . 0 0 "[ . 1]" 1
309 1 67 ILE HB 1 67 ILE MD 3.119 . 5.287 2.420 2.366 2.460 . 0 0 "[ . 1]" 1
310 1 67 ILE MD 1 67 ILE HG12 2.875 . 4.867 2.107 2.085 2.120 . 0 0 "[ . 1]" 1
311 1 67 ILE MD 1 67 ILE HG13 2.811 . 4.759 2.115 2.105 2.121 . 0 0 "[ . 1]" 1
312 1 68 ASP HA 1 104 ILE HG12 2.923 . 4.948 3.503 2.918 4.328 . 0 0 "[ . 1]" 1
313 1 14 LEU HG 1 70 LEU MD1 2.739 . 4.639 3.974 2.156 4.641 0.002 5 0 "[ . 1]" 1
314 1 71 ILE MG 1 72 LYS HA 3.071 . 5.203 3.441 3.231 3.682 . 0 0 "[ . 1]" 1
315 1 71 ILE MG 1 106 ILE MG 2.676 . 4.535 2.342 2.055 2.954 . 0 0 "[ . 1]" 1
316 1 71 ILE MG 1 104 ILE MG 2.254 . 3.863 2.115 1.945 2.450 . 0 0 "[ . 1]" 1
317 1 72 LYS HA 1 72 LYS HG3 3.054 . 5.173 3.487 2.556 3.866 . 0 0 "[ . 1]" 1
318 1 72 LYS QB 1 72 LYS HG2 3.310 . 5.625 2.367 2.287 2.460 . 0 0 "[ . 1]" 1
319 1 75 LEU HA 1 78 TRP HB2 3.135 . 5.314 3.217 2.833 3.497 . 0 0 "[ . 1]" 1
320 1 75 LEU H 1 75 LEU MD2 3.468 2.025 5.911 4.040 3.445 4.293 . 0 0 "[ . 1]" 1
321 1 76 GLU HA 1 76 GLU HB2 2.548 . 4.327 2.855 2.420 3.031 . 0 0 "[ . 1]" 1
322 1 76 GLU HB3 1 77 ILE H 3.517 2.032 6.002 3.844 3.582 4.351 . 0 0 "[ . 1]" 1
323 1 76 GLU HA 1 76 GLU HB3 2.742 . 4.644 2.458 2.372 2.522 . 0 0 "[ . 1]" 1
324 1 76 GLU HB2 1 77 ILE HA 3.152 . 5.344 4.420 4.170 4.758 . 0 0 "[ . 1]" 1
325 1 77 ILE HA 1 80 GLU HG2 3.075 . 5.210 4.381 2.853 5.172 . 0 0 "[ . 1]" 1
326 1 77 ILE MG 1 81 LEU HG 2.604 . 4.418 2.878 2.164 4.237 . 0 0 "[ . 1]" 1
327 1 77 ILE HG13 1 77 ILE MG 2.600 . 4.411 2.631 2.346 3.225 . 0 0 "[ . 1]" 1
328 1 77 ILE HA 1 77 ILE MD 3.006 . 5.090 2.599 2.076 3.812 . 0 0 "[ . 1]" 1
329 1 20 LEU HG 1 77 ILE MD 2.706 . 4.585 4.273 3.655 4.645 0.060 1 0 "[ . 1]" 1
330 1 80 GLU HA 1 83 ALA MB 2.932 . 4.963 2.523 2.302 2.876 . 0 0 "[ . 1]" 1
331 1 80 GLU HA 1 80 GLU HG3 2.897 . 4.904 3.190 2.878 3.801 . 0 0 "[ . 1]" 1
332 1 81 LEU HB2 1 81 LEU MD1 3.508 2.031 5.985 2.509 2.309 3.212 . 0 0 "[ . 1]" 1
333 1 81 LEU HB3 1 81 LEU MD2 3.214 . 5.454 2.543 2.323 3.225 . 0 0 "[ . 1]" 1
334 1 83 ALA HA 1 87 PRO HA 3.273 . 5.559 2.900 2.135 3.919 . 0 0 "[ . 1]" 1
335 1 83 ALA MB 1 84 HIS H 2.521 . 4.284 2.803 2.612 2.918 . 0 0 "[ . 1]" 1
336 1 83 ALA HA 1 83 ALA MB 2.135 . 3.682 2.132 2.127 2.138 . 0 0 "[ . 1]" 1
337 1 84 HIS HA 1 84 HIS HB3 2.939 . 4.976 2.934 2.516 3.038 . 0 0 "[ . 1]" 1
338 1 82 THR HA 1 87 PRO HB3 3.550 2.037 6.063 6.000 5.694 6.186 0.123 5 0 "[ . 1]" 1
339 1 93 LYS QB 1 93 LYS HG2 2.611 . 4.429 2.301 2.168 2.382 . 0 0 "[ . 1]" 1
340 1 35 PRO HA 1 38 LYS HG2 2.845 . 4.817 4.057 2.989 4.746 . 0 0 "[ . 1]" 1
341 1 7 LYS QG 1 36 GLU HG3 3.079 . 5.217 4.472 2.772 5.257 0.040 4 0 "[ . 1]" 1
342 1 97 ASP H 1 97 ASP HB2 3.130 . 5.306 2.563 2.375 2.704 . 0 0 "[ . 1]" 1
343 1 99 ALA HA 1 102 LYS HG3 3.261 . 5.537 4.695 3.504 5.579 0.042 8 0 "[ . 1]" 1
344 1 99 ALA HA 1 104 ILE HG12 2.830 . 4.791 3.116 2.553 3.553 . 0 0 "[ . 1]" 1
345 1 99 ALA MB 1 100 LYS HA 2.943 . 4.983 3.712 3.620 3.808 . 0 0 "[ . 1]" 1
346 1 71 ILE MD 1 99 ALA MB 2.423 . 4.028 2.849 1.841 3.692 . 0 0 "[ . 1]" 1
347 1 71 ILE MG 1 99 ALA MB 2.502 . 4.109 2.316 1.938 3.033 . 0 0 "[ . 1]" 1
348 1 101 ALA MB 1 102 LYS H 2.524 . 4.289 2.752 2.480 3.116 . 0 0 "[ . 1]" 1
349 1 98 ARG HA 1 101 ALA MB 2.384 . 4.066 2.955 2.501 3.718 . 0 0 "[ . 1]" 1
350 1 17 LYS HB3 1 18 ARG H 3.264 . 5.542 4.126 3.946 4.344 . 0 0 "[ . 1]" 1
351 1 38 LYS HB3 1 39 GLU HA 3.248 . 5.514 4.200 3.657 4.675 . 0 0 "[ . 1]" 1
352 1 64 GLU HA 1 102 LYS HB3 3.229 . 5.480 4.962 3.994 5.619 0.139 7 0 "[ . 1]" 1
353 1 104 ILE HG12 1 104 ILE MG 3.229 . 5.480 3.203 3.194 3.210 . 0 0 "[ . 1]" 1
354 1 72 LYS QD 1 104 ILE HG12 3.166 . 5.369 5.061 4.565 5.437 0.068 5 0 "[ . 1]" 1
355 1 104 ILE HA 1 104 ILE HG12 3.508 2.031 5.985 3.163 3.040 3.267 . 0 0 "[ . 1]" 1
356 1 104 ILE H 1 104 ILE HG12 3.687 2.055 6.319 2.444 2.156 2.668 . 0 0 "[ . 1]" 1
357 1 71 ILE HB 1 104 ILE HG13 3.300 . 5.607 3.106 2.639 4.142 . 0 0 "[ . 1]" 1
358 1 72 LYS QB 1 104 ILE MG 2.561 . 4.188 2.968 2.110 4.253 0.065 5 0 "[ . 1]" 1
359 1 72 LYS HA 1 104 ILE MG 2.749 . 4.355 3.569 2.979 4.291 . 0 0 "[ . 1]" 1
360 1 104 ILE MG 1 105 VAL HA 2.946 . 4.988 4.003 3.846 4.165 . 0 0 "[ . 1]" 1
361 1 72 LYS QD 1 104 ILE MD 2.305 . 3.943 2.385 2.041 2.872 . 0 0 "[ . 1]" 1
362 1 104 ILE MD 1 104 ILE HG13 2.023 . 3.514 2.116 2.100 2.133 . 0 0 "[ . 1]" 1
363 1 104 ILE HA 1 105 VAL MG1 2.792 . 4.728 3.819 3.681 3.992 . 0 0 "[ . 1]" 1
364 1 106 ILE HG13 1 106 ILE MG 2.501 . 4.251 2.652 2.393 3.197 . 0 0 "[ . 1]" 1
365 1 106 ILE HA 1 106 ILE HG13 3.160 . 5.358 4.145 3.673 4.349 . 0 0 "[ . 1]" 1
366 1 106 ILE HB 1 106 ILE HG12 2.893 . 4.897 2.663 2.495 3.036 . 0 0 "[ . 1]" 1
367 1 106 ILE HA 1 106 ILE HG12 3.331 . 5.662 3.740 3.667 3.782 . 0 0 "[ . 1]" 1
368 1 106 ILE H 1 106 ILE HG13 3.410 2.015 5.805 3.942 3.426 4.201 . 0 0 "[ . 1]" 1
369 1 106 ILE HB 1 106 ILE MG 2.170 . 3.735 2.103 2.091 2.116 . 0 0 "[ . 1]" 1
370 1 96 GLU QB 1 106 ILE MD 2.671 . 4.527 4.119 3.777 4.533 0.006 2 0 "[ . 1]" 1
371 1 108 GLU HA 1 108 GLU HB3 2.701 . 4.576 2.465 2.331 3.034 . 0 0 "[ . 1]" 1
372 1 3 ASP H 1 7 LYS H 3.451 2.021 5.881 4.664 3.848 5.481 . 0 0 "[ . 1]" 1
373 1 2 THR H 1 3 ASP H 3.448 2.021 5.875 3.220 2.110 4.552 . 0 0 "[ . 1]" 1
374 1 9 ASN HA 1 10 LEU H 2.433 . 4.143 2.866 2.128 3.234 . 0 0 "[ . 1]" 1
375 1 2 THR HB 1 3 ASP H 3.401 2.013 5.789 4.222 3.687 4.586 . 0 0 "[ . 1]" 1
376 1 10 LEU H 1 10 LEU HA 2.932 . 4.964 2.835 2.741 2.904 . 0 0 "[ . 1]" 1
377 1 9 ASN HB3 1 10 LEU H 3.214 . 5.454 4.494 4.093 4.644 . 0 0 "[ . 1]" 1
378 1 3 ASP H 1 7 LYS QB 3.537 2.036 6.038 4.875 3.219 6.134 0.096 4 0 "[ . 1]" 1
379 1 10 LEU H 1 10 LEU HB2 2.423 . 4.128 2.698 2.579 2.847 . 0 0 "[ . 1]" 1
380 1 10 LEU H 1 10 LEU HB3 2.959 . 5.009 3.659 3.491 3.795 . 0 0 "[ . 1]" 1
381 1 10 LEU H 1 10 LEU MD1 3.095 . 5.245 3.006 1.874 3.778 0.071 7 0 "[ . 1]" 1
382 1 10 LEU H 1 10 LEU MD2 3.403 2.013 5.793 3.052 1.948 4.054 0.065 2 0 "[ . 1]" 1
383 1 4 LYS H 1 9 ASN H 3.247 . 5.512 5.120 4.052 5.613 0.101 5 0 "[ . 1]" 1
384 1 5 TYR H 1 7 LYS H 2.859 . 4.840 4.389 3.668 4.888 0.048 2 0 "[ . 1]" 1
385 1 4 LYS H 1 4 LYS HA 2.722 . 4.611 2.539 2.189 2.907 . 0 0 "[ . 1]" 1
386 1 4 LYS H 1 7 LYS QB 3.405 2.014 5.796 5.371 3.632 5.900 0.104 5 0 "[ . 1]" 1
387 1 4 LYS HB2 1 5 TYR H 2.956 . 5.005 4.099 3.538 4.385 . 0 0 "[ . 1]" 1
388 1 4 LYS H 1 4 LYS HB3 2.557 . 4.341 4.028 3.690 4.248 . 0 0 "[ . 1]" 1
389 1 68 ASP H 1 70 LEU H 3.160 . 5.358 4.226 4.005 4.358 . 0 0 "[ . 1]" 1
390 1 4 LYS HA 1 5 TYR H 2.634 . 4.466 2.154 1.977 2.362 . 0 0 "[ . 1]" 1
391 1 70 LEU H 1 70 LEU HA 2.903 . 4.914 2.806 2.757 2.847 . 0 0 "[ . 1]" 1
392 1 67 ILE HA 1 70 LEU H 2.859 . 4.840 3.908 3.634 4.153 . 0 0 "[ . 1]" 1
393 1 5 TYR H 1 5 TYR HB3 2.981 . 5.047 3.348 3.158 3.515 . 0 0 "[ . 1]" 1
394 1 5 TYR H 1 5 TYR HB2 2.768 . 4.687 4.097 4.034 4.144 . 0 0 "[ . 1]" 1
395 1 5 TYR H 1 9 ASN HB2 3.159 . 5.356 3.629 2.881 4.447 . 0 0 "[ . 1]" 1
396 1 70 LEU H 1 70 LEU HG 2.524 . 4.289 4.367 4.324 4.404 0.115 10 0 "[ . 1]" 1
397 1 4 LYS QG 1 5 TYR H 3.077 . 5.213 3.980 3.618 4.797 . 0 0 "[ . 1]" 1
398 1 14 LEU MD2 1 70 LEU H 2.995 . 5.072 2.219 1.911 2.520 0.007 9 0 "[ . 1]" 1
399 1 6 ASP H 1 9 ASN H 3.498 2.030 5.966 5.712 4.591 6.061 0.095 6 0 "[ . 1]" 1
400 1 6 ASP H 1 9 ASN HD22 3.472 2.026 5.918 4.896 4.142 5.940 0.022 3 0 "[ . 1]" 1
401 1 6 ASP H 1 33 CYS HA 3.544 2.037 6.051 4.462 3.624 5.037 . 0 0 "[ . 1]" 1
402 1 6 ASP H 1 6 ASP HA 2.437 . 4.149 2.815 2.692 2.932 . 0 0 "[ . 1]" 1
403 1 4 LYS HA 1 6 ASP H 3.535 2.036 6.034 3.882 3.200 4.366 . 0 0 "[ . 1]" 1
404 1 7 LYS H 1 7 LYS HA 2.694 . 4.565 2.848 2.795 2.947 . 0 0 "[ . 1]" 1
405 1 4 LYS HA 1 7 LYS H 3.436 2.019 5.853 4.546 3.777 5.714 . 0 0 "[ . 1]" 1
406 1 7 LYS H 1 8 ILE HA 3.477 2.027 5.927 5.048 4.547 5.662 . 0 0 "[ . 1]" 1
407 1 6 ASP HB2 1 7 LYS H 2.839 . 4.806 3.275 2.030 4.345 . 0 0 "[ . 1]" 1
408 1 7 LYS H 1 8 ILE H 3.113 . 5.276 3.180 2.291 4.205 . 0 0 "[ . 1]" 1
409 1 7 LYS HA 1 8 ILE H 2.540 . 4.314 3.458 2.896 3.621 . 0 0 "[ . 1]" 1
410 1 8 ILE H 1 8 ILE HB 2.670 . 4.525 3.620 3.522 3.697 . 0 0 "[ . 1]" 1
411 1 8 ILE H 1 8 ILE HG12 2.939 . 4.975 1.939 1.876 2.007 0.027 7 0 "[ . 1]" 1
412 1 8 ILE H 1 8 ILE HG13 3.034 . 5.139 2.807 2.679 2.909 . 0 0 "[ . 1]" 1
413 1 9 ASN H 1 10 LEU H 2.940 . 4.977 2.981 1.858 4.211 0.045 8 0 "[ . 1]" 1
414 1 5 TYR H 1 9 ASN H 3.500 2.030 5.970 5.391 4.502 6.025 0.055 8 0 "[ . 1]" 1
415 1 9 ASN H 1 9 ASN HA 2.876 . 4.869 2.918 2.829 2.951 . 0 0 "[ . 1]" 1
416 1 8 ILE HA 1 9 ASN H 2.319 . 3.964 2.616 2.181 2.860 . 0 0 "[ . 1]" 1
417 1 9 ASN H 1 10 LEU HA 3.348 2.003 5.693 4.394 3.992 4.894 . 0 0 "[ . 1]" 1
418 1 9 ASN H 1 9 ASN HB3 2.680 . 4.542 2.915 2.502 3.475 . 0 0 "[ . 1]" 1
419 1 9 ASN H 1 12 GLU QG 3.441 2.020 5.862 5.353 4.714 5.886 0.024 8 0 "[ . 1]" 1
420 1 8 ILE HB 1 9 ASN H 3.432 2.019 5.845 4.281 4.107 4.353 . 0 0 "[ . 1]" 1
421 1 9 ASN H 1 10 LEU HB2 3.542 2.036 6.048 5.320 4.378 6.049 0.001 1 0 "[ . 1]" 1
422 1 8 ILE HG13 1 9 ASN H 3.236 . 5.493 4.124 3.867 4.576 . 0 0 "[ . 1]" 1
423 1 10 LEU H 1 11 GLN H 2.655 . 4.501 2.529 2.075 2.906 . 0 0 "[ . 1]" 1
424 1 9 ASN HA 1 11 GLN H 3.180 . 5.394 4.055 3.791 4.664 . 0 0 "[ . 1]" 1
425 1 10 LEU HA 1 11 GLN H 3.094 . 5.243 3.468 3.399 3.554 . 0 0 "[ . 1]" 1
426 1 11 GLN H 1 11 GLN HA 2.739 . 4.640 2.868 2.811 2.908 . 0 0 "[ . 1]" 1
427 1 11 GLN H 1 11 GLN HB2 2.503 . 4.255 2.475 2.214 2.663 . 0 0 "[ . 1]" 1
428 1 11 GLN H 1 11 GLN HB3 2.553 . 4.335 2.843 2.404 3.586 . 0 0 "[ . 1]" 1
429 1 10 LEU HB3 1 11 GLN H 2.781 . 4.709 3.569 3.178 3.930 . 0 0 "[ . 1]" 1
430 1 10 LEU HB2 1 11 GLN H 3.334 2.001 5.667 2.491 2.078 3.000 . 0 0 "[ . 1]" 1
431 1 11 GLN H 1 12 GLU H 2.546 . 4.324 2.379 2.137 2.666 . 0 0 "[ . 1]" 1
432 1 9 ASN HD22 1 12 GLU H 3.392 2.011 5.773 5.975 5.869 6.054 0.281 9 0 "[ . 1]" 1
433 1 12 GLU H 1 14 LEU H 3.264 . 5.543 3.946 3.787 4.372 . 0 0 "[ . 1]" 1
434 1 12 GLU H 1 13 ILE H 2.426 . 4.132 2.257 2.099 2.429 . 0 0 "[ . 1]" 1
435 1 12 GLU H 1 12 GLU HA 2.570 . 4.363 2.875 2.855 2.892 . 0 0 "[ . 1]" 1
436 1 11 GLN HA 1 12 GLU H 2.876 . 4.869 3.470 3.433 3.551 . 0 0 "[ . 1]" 1
437 1 9 ASN HB3 1 12 GLU H 3.323 . 5.648 5.052 4.532 5.496 . 0 0 "[ . 1]" 1
438 1 9 ASN HB2 1 12 GLU H 3.436 2.019 5.853 3.849 3.017 4.492 . 0 0 "[ . 1]" 1
439 1 12 GLU H 1 12 GLU QG 2.397 . 4.087 2.848 2.152 3.961 . 0 0 "[ . 1]" 1
440 1 10 LEU HB2 1 12 GLU H 3.441 2.020 5.862 4.675 4.377 5.009 . 0 0 "[ . 1]" 1
441 1 12 GLU H 1 13 ILE HG12 3.415 2.016 5.814 4.248 3.778 4.731 . 0 0 "[ . 1]" 1
442 1 11 GLN H 1 13 ILE H 3.430 2.018 5.842 3.971 3.752 4.255 . 0 0 "[ . 1]" 1
443 1 13 ILE H 1 14 LEU H 2.540 . 4.314 2.504 2.110 2.749 . 0 0 "[ . 1]" 1
444 1 13 ILE H 1 13 ILE HA 2.727 . 4.620 2.845 2.793 2.892 . 0 0 "[ . 1]" 1
445 1 9 ASN HB3 1 13 ILE H 3.500 2.030 5.970 5.136 4.389 5.821 . 0 0 "[ . 1]" 1
446 1 9 ASN HB2 1 13 ILE H 3.491 2.028 5.954 3.558 2.674 4.470 . 0 0 "[ . 1]" 1
447 1 13 ILE H 1 13 ILE HB 2.319 . 3.964 2.295 2.198 2.534 . 0 0 "[ . 1]" 1
448 1 13 ILE H 1 13 ILE HG12 2.479 . 4.217 2.658 2.311 3.138 . 0 0 "[ . 1]" 1
449 1 14 LEU H 1 14 LEU HA 2.771 . 4.692 2.720 2.674 2.780 . 0 0 "[ . 1]" 1
450 1 11 GLN HA 1 14 LEU H 2.907 . 4.921 3.224 2.876 3.679 . 0 0 "[ . 1]" 1
451 1 13 ILE HB 1 14 LEU H 2.691 . 4.560 2.391 1.949 2.661 . 0 0 "[ . 1]" 1
452 1 14 LEU H 1 14 LEU HB2 2.725 . 4.616 2.308 2.076 2.391 . 0 0 "[ . 1]" 1
453 1 14 LEU H 1 14 LEU HB3 2.907 . 4.921 2.642 2.445 3.525 . 0 0 "[ . 1]" 1
454 1 13 ILE MG 1 14 LEU H 2.872 . 4.862 2.829 2.750 2.894 . 0 0 "[ . 1]" 1
455 1 14 LEU H 1 15 GLU H 2.828 . 4.788 2.818 2.683 2.975 . 0 0 "[ . 1]" 1
456 1 15 GLU H 1 69 TYR QD 3.337 2.001 5.673 4.470 4.168 4.806 . 0 0 "[ . 1]" 1
457 1 15 GLU H 1 15 GLU HA 2.907 . 4.921 2.798 2.732 2.831 . 0 0 "[ . 1]" 1
458 1 14 LEU HA 1 15 GLU H 3.010 . 5.097 3.444 3.357 3.491 . 0 0 "[ . 1]" 1
459 1 15 GLU H 1 15 GLU HB2 2.806 . 4.751 2.588 2.478 2.756 . 0 0 "[ . 1]" 1
460 1 15 GLU H 1 15 GLU HB3 2.574 . 4.369 2.359 2.196 2.592 . 0 0 "[ . 1]" 1
461 1 14 LEU HB3 1 15 GLU H 2.966 . 5.021 2.934 2.691 3.411 . 0 0 "[ . 1]" 1
462 1 14 LEU HB2 1 15 GLU H 3.294 . 5.596 3.853 2.762 4.114 . 0 0 "[ . 1]" 1
463 1 16 ASN H 1 17 LYS H 3.019 . 5.112 4.158 3.951 4.299 . 0 0 "[ . 1]" 1
464 1 15 GLU H 1 16 ASN H 2.391 . 4.077 2.732 2.610 2.885 . 0 0 "[ . 1]" 1
465 1 13 ILE H 1 16 ASN H 3.495 2.029 5.961 5.370 4.975 5.528 . 0 0 "[ . 1]" 1
466 1 16 ASN H 1 73 ASN HD21 3.371 2.007 5.735 4.954 4.204 5.765 0.030 7 0 "[ . 1]" 1
467 1 16 ASN H 1 16 ASN HA 2.562 . 4.350 2.943 2.924 2.963 . 0 0 "[ . 1]" 1
468 1 15 GLU HA 1 16 ASN H 2.894 . 4.899 3.444 3.356 3.527 . 0 0 "[ . 1]" 1
469 1 13 ILE HA 1 16 ASN H 3.044 . 5.156 3.931 3.733 4.155 . 0 0 "[ . 1]" 1
470 1 16 ASN H 1 16 ASN HB2 2.366 . 4.038 2.784 2.673 2.896 . 0 0 "[ . 1]" 1
471 1 15 GLU QG 1 16 ASN H 3.134 . 5.313 3.974 3.754 4.322 . 0 0 "[ . 1]" 1
472 1 15 GLU HB3 1 16 ASN H 2.778 . 4.704 3.340 3.140 3.573 . 0 0 "[ . 1]" 1
473 1 14 LEU HB3 1 16 ASN H 3.384 2.010 5.758 5.052 4.942 5.129 . 0 0 "[ . 1]" 1
474 1 16 ASN H 1 20 LEU MD1 3.315 . 5.633 3.635 2.815 4.593 . 0 0 "[ . 1]" 1
475 1 17 LYS H 1 18 ARG H 2.648 . 4.489 2.861 2.538 3.141 . 0 0 "[ . 1]" 1
476 1 16 ASN HA 1 17 LYS H 2.321 . 3.968 2.220 2.160 2.282 . 0 0 "[ . 1]" 1
477 1 17 LYS H 1 17 LYS HA 2.806 . 4.751 2.762 2.661 2.827 . 0 0 "[ . 1]" 1
478 1 16 ASN HB3 1 17 LYS H 3.498 2.030 5.966 3.456 3.248 3.644 . 0 0 "[ . 1]" 1
479 1 17 LYS H 1 17 LYS HB2 2.504 . 4.257 3.714 3.674 3.752 . 0 0 "[ . 1]" 1
480 1 17 LYS H 1 20 LEU HB2 2.806 . 4.751 4.712 4.439 4.823 0.072 7 0 "[ . 1]" 1
481 1 17 LYS H 1 17 LYS HG2 2.982 . 5.049 3.382 3.135 3.541 . 0 0 "[ . 1]" 1
482 1 18 ARG H 1 20 LEU H 3.213 . 5.452 3.756 3.576 3.939 . 0 0 "[ . 1]" 1
483 1 18 ARG H 1 21 GLU H 3.112 . 5.274 4.675 4.574 4.839 . 0 0 "[ . 1]" 1
484 1 16 ASN HA 1 18 ARG H 2.952 . 4.998 3.918 3.748 4.159 . 0 0 "[ . 1]" 1
485 1 18 ARG H 1 18 ARG HA 2.501 . 4.252 2.839 2.818 2.867 . 0 0 "[ . 1]" 1
486 1 17 LYS HA 1 18 ARG H 3.028 . 5.128 3.432 3.314 3.537 . 0 0 "[ . 1]" 1
487 1 18 ARG H 1 18 ARG HD2 3.068 . 5.198 3.547 2.633 4.869 . 0 0 "[ . 1]" 1
488 1 18 ARG H 1 18 ARG HB3 2.086 . 3.608 2.845 2.644 2.990 . 0 0 "[ . 1]" 1
489 1 17 LYS HG2 1 18 ARG H 2.774 . 4.698 2.551 2.201 2.848 . 0 0 "[ . 1]" 1
490 1 19 LEU H 1 20 LEU H 2.381 . 4.061 2.335 2.283 2.386 . 0 0 "[ . 1]" 1
491 1 19 LEU H 1 21 GLU H 3.225 . 5.473 4.007 3.898 4.083 . 0 0 "[ . 1]" 1
492 1 18 ARG H 1 19 LEU H 2.314 . 3.957 2.589 2.485 2.646 . 0 0 "[ . 1]" 1
493 1 16 ASN HD21 1 19 LEU H 3.366 2.007 5.725 4.754 4.657 4.877 . 0 0 "[ . 1]" 1
494 1 16 ASN HA 1 19 LEU H 3.187 . 5.406 4.343 4.182 4.523 . 0 0 "[ . 1]" 1
495 1 18 ARG HA 1 19 LEU H 2.912 . 4.929 3.470 3.448 3.500 . 0 0 "[ . 1]" 1
496 1 19 LEU H 1 19 LEU HA 2.645 . 4.485 2.845 2.836 2.856 . 0 0 "[ . 1]" 1
497 1 17 LYS HA 1 19 LEU H 3.108 . 5.267 4.033 3.915 4.269 . 0 0 "[ . 1]" 1
498 1 16 ASN HB2 1 19 LEU H 3.036 . 5.142 2.638 2.517 2.805 . 0 0 "[ . 1]" 1
499 1 19 LEU H 1 19 LEU HB3 2.259 . 3.871 3.582 3.535 3.608 . 0 0 "[ . 1]" 1
500 1 19 LEU H 1 19 LEU HG 2.809 . 4.756 2.931 2.532 4.230 . 0 0 "[ . 1]" 1
501 1 19 LEU H 1 19 LEU MD2 2.742 . 4.645 3.258 2.501 3.531 . 0 0 "[ . 1]" 1
502 1 18 ARG HA 1 20 LEU H 3.520 2.033 6.007 4.029 3.906 4.177 . 0 0 "[ . 1]" 1
503 1 19 LEU HA 1 20 LEU H 3.191 . 5.413 3.457 3.401 3.505 . 0 0 "[ . 1]" 1
504 1 20 LEU H 1 20 LEU HA 2.643 . 4.481 2.827 2.815 2.841 . 0 0 "[ . 1]" 1
505 1 16 ASN HB3 1 20 LEU H 3.298 . 5.603 4.676 4.412 4.891 . 0 0 "[ . 1]" 1
506 1 20 LEU H 1 21 GLU HB3 3.401 2.013 5.789 5.853 5.826 5.877 0.088 1 0 "[ . 1]" 1
507 1 20 LEU H 1 20 LEU HB3 2.312 . 3.953 3.323 2.569 3.619 . 0 0 "[ . 1]" 1
508 1 19 LEU HB2 1 20 LEU H 2.683 . 4.547 3.026 2.920 3.177 . 0 0 "[ . 1]" 1
509 1 19 LEU HG 1 20 LEU H 3.433 2.018 5.848 4.727 4.495 5.455 . 0 0 "[ . 1]" 1
510 1 76 GLU H 1 78 TRP H 3.465 2.024 5.906 3.984 3.700 4.183 . 0 0 "[ . 1]" 1
511 1 20 LEU H 1 21 GLU H 2.707 . 4.587 2.557 2.496 2.621 . 0 0 "[ . 1]" 1
512 1 76 GLU H 1 77 ILE H 2.342 . 4.000 2.536 2.313 2.774 . 0 0 "[ . 1]" 1
513 1 74 GLU HA 1 76 GLU H 3.034 . 5.139 3.350 3.114 3.567 . 0 0 "[ . 1]" 1
514 1 18 ARG HA 1 21 GLU H 2.749 . 4.656 3.294 3.177 3.511 . 0 0 "[ . 1]" 1
515 1 76 GLU H 1 76 GLU HA 2.421 . 4.124 2.831 2.780 2.878 . 0 0 "[ . 1]" 1
516 1 21 GLU H 1 21 GLU HA 2.643 . 4.481 2.753 2.735 2.768 . 0 0 "[ . 1]" 1
517 1 21 GLU H 1 21 GLU HG2 2.598 . 4.408 2.302 2.036 2.508 . 0 0 "[ . 1]" 1
518 1 76 GLU H 1 76 GLU HG2 2.157 . 3.715 2.497 2.094 3.405 . 0 0 "[ . 1]" 1
519 1 76 GLU H 1 76 GLU HB2 2.154 . 3.711 2.867 2.435 3.716 0.005 1 0 "[ . 1]" 1
520 1 20 LEU H 1 22 SER H 3.456 2.023 5.889 3.738 3.661 3.800 . 0 0 "[ . 1]" 1
521 1 21 GLU H 1 22 SER H 2.564 . 4.353 2.758 2.691 2.825 . 0 0 "[ . 1]" 1
522 1 22 SER H 1 23 TYR H 2.705 . 4.583 2.912 2.790 3.076 . 0 0 "[ . 1]" 1
523 1 22 SER H 1 22 SER HA 2.519 . 4.281 2.816 2.796 2.841 . 0 0 "[ . 1]" 1
524 1 22 SER H 1 22 SER HB3 2.248 . 3.855 3.605 3.563 3.655 . 0 0 "[ . 1]" 1
525 1 21 GLU HG2 1 22 SER H 3.262 . 5.539 4.540 4.296 4.738 . 0 0 "[ . 1]" 1
526 1 18 ARG HB2 1 22 SER H 3.505 2.031 5.979 5.475 5.337 5.609 . 0 0 "[ . 1]" 1
527 1 13 ILE HG13 1 22 SER H 3.498 2.030 5.966 5.965 5.819 6.061 0.095 4 0 "[ . 1]" 1
528 1 21 GLU H 1 23 TYR H 3.433 2.018 5.848 4.635 4.456 4.910 . 0 0 "[ . 1]" 1
529 1 5 TYR H 1 23 TYR H 3.330 2.007 5.661 4.942 4.513 5.431 . 0 0 "[ . 1]" 1
530 1 5 TYR HA 1 23 TYR H 3.531 2.035 6.027 4.283 3.585 4.912 . 0 0 "[ . 1]" 1
531 1 23 TYR H 1 23 TYR HB2 3.168 . 5.372 3.871 3.835 3.942 . 0 0 "[ . 1]" 1
532 1 23 TYR H 1 23 TYR HB3 2.898 . 4.906 3.052 2.947 3.161 . 0 0 "[ . 1]" 1
533 1 23 TYR H 1 24 MET H 3.048 . 5.163 2.470 2.341 2.520 . 0 0 "[ . 1]" 1
534 1 21 GLU HA 1 24 MET H 3.519 2.033 6.005 3.607 3.413 3.883 . 0 0 "[ . 1]" 1
535 1 23 TYR HB3 1 24 MET H 3.201 . 5.431 4.582 4.505 4.659 . 0 0 "[ . 1]" 1
536 1 5 TYR HB2 1 24 MET H 3.258 . 5.532 5.566 5.487 5.619 0.087 8 0 "[ . 1]" 1
537 1 24 MET H 1 25 ASP HB2 3.528 2.035 6.021 5.301 5.037 5.535 . 0 0 "[ . 1]" 1
538 1 24 MET H 1 24 MET QG 3.144 . 5.330 3.606 2.774 4.101 . 0 0 "[ . 1]" 1
539 1 24 MET H 1 30 LYS HB3 3.533 2.035 6.031 6.027 5.905 6.078 0.047 6 0 "[ . 1]" 1
540 1 25 ASP H 1 32 LYS H 2.965 . 5.020 3.979 3.562 4.368 . 0 0 "[ . 1]" 1
541 1 68 ASP H 1 71 ILE H 3.210 . 5.447 4.903 4.767 5.044 . 0 0 "[ . 1]" 1
542 1 25 ASP H 1 26 CYS H 2.660 . 4.509 2.705 2.521 2.860 . 0 0 "[ . 1]" 1
543 1 24 MET H 1 25 ASP H 2.835 . 4.800 2.763 2.619 2.915 . 0 0 "[ . 1]" 1
544 1 25 ASP H 1 25 ASP HA 2.670 . 4.525 2.815 2.795 2.837 . 0 0 "[ . 1]" 1
545 1 25 ASP H 1 25 ASP HB3 2.463 . 4.191 2.439 2.382 2.624 . 0 0 "[ . 1]" 1
546 1 26 CYS H 1 28 LEU H 3.403 2.013 5.793 4.398 4.214 4.513 . 0 0 "[ . 1]" 1
547 1 26 CYS H 1 33 CYS HA 3.351 2.004 5.698 5.321 5.114 5.591 . 0 0 "[ . 1]" 1
548 1 26 CYS H 1 26 CYS HA 2.950 . 4.995 2.816 2.791 2.836 . 0 0 "[ . 1]" 1
549 1 26 CYS H 1 26 CYS HB2 2.820 . 4.774 3.225 2.329 3.509 . 0 0 "[ . 1]" 1
550 1 26 CYS H 1 26 CYS HB3 2.657 . 4.504 3.189 2.783 3.615 . 0 0 "[ . 1]" 1
551 1 25 ASP HB3 1 26 CYS H 3.032 . 5.135 2.511 2.217 2.905 . 0 0 "[ . 1]" 1
552 1 26 CYS H 1 27 VAL HB 3.249 . 5.516 4.851 4.766 5.006 . 0 0 "[ . 1]" 1
553 1 25 ASP HB2 1 26 CYS H 3.151 . 5.342 3.841 3.656 3.987 . 0 0 "[ . 1]" 1
554 1 25 ASP H 1 27 VAL H 3.384 2.010 5.758 4.003 3.951 4.080 . 0 0 "[ . 1]" 1
555 1 26 CYS H 1 27 VAL H 2.859 . 4.840 2.498 2.440 2.591 . 0 0 "[ . 1]" 1
556 1 26 CYS HA 1 27 VAL H 2.960 . 5.011 3.483 3.440 3.527 . 0 0 "[ . 1]" 1
557 1 26 CYS HB2 1 27 VAL H 3.073 . 5.206 3.363 2.397 3.782 . 0 0 "[ . 1]" 1
558 1 26 CYS HB3 1 27 VAL H 2.970 . 5.029 4.127 3.485 4.411 . 0 0 "[ . 1]" 1
559 1 25 ASP HB3 1 27 VAL H 3.390 2.011 5.769 4.829 4.544 5.186 . 0 0 "[ . 1]" 1
560 1 27 VAL H 1 27 VAL HB 2.645 . 4.485 2.535 2.487 2.586 . 0 0 "[ . 1]" 1
561 1 27 VAL H 1 28 LEU HB3 3.510 2.032 5.988 5.336 5.157 6.032 0.044 10 0 "[ . 1]" 1
562 1 27 VAL H 1 27 VAL MG2 2.531 . 4.300 2.265 2.196 2.334 . 0 0 "[ . 1]" 1
563 1 84 HIS HA 1 85 PHE H 3.357 2.005 5.709 3.527 3.419 3.579 . 0 0 "[ . 1]" 1
564 1 25 ASP HA 1 28 LEU H 3.351 2.004 5.698 4.080 3.654 4.461 . 0 0 "[ . 1]" 1
565 1 82 THR HA 1 85 PHE H 3.531 2.035 6.027 3.347 2.967 3.630 . 0 0 "[ . 1]" 1
566 1 28 LEU H 1 28 LEU HA 2.959 . 5.009 2.929 2.902 2.942 . 0 0 "[ . 1]" 1
567 1 27 VAL HB 1 28 LEU H 2.872 . 4.862 2.518 2.445 2.673 . 0 0 "[ . 1]" 1
568 1 28 LEU H 1 30 LYS HG3 2.484 . 4.224 4.187 3.899 4.290 0.066 7 0 "[ . 1]" 1
569 1 27 VAL MG1 1 28 LEU H 3.080 . 5.219 3.270 3.140 3.359 . 0 0 "[ . 1]" 1
570 1 28 LEU H 1 28 LEU MD2 3.021 . 5.116 4.228 3.020 4.472 . 0 0 "[ . 1]" 1
571 1 29 GLY H 1 30 LYS H 2.443 . 4.159 2.297 2.051 2.973 . 0 0 "[ . 1]" 1
572 1 27 VAL H 1 29 GLY H 3.131 . 5.307 3.803 3.669 3.900 . 0 0 "[ . 1]" 1
573 1 28 LEU H 1 29 GLY H 2.530 . 4.298 2.084 2.031 2.159 . 0 0 "[ . 1]" 1
574 1 28 LEU HA 1 29 GLY H 2.912 . 4.929 3.468 3.419 3.490 . 0 0 "[ . 1]" 1
575 1 28 LEU HB3 1 29 GLY H 2.903 . 4.914 2.901 2.777 3.365 . 0 0 "[ . 1]" 1
576 1 29 GLY H 1 30 LYS HG2 3.033 . 5.137 4.848 4.479 5.142 0.005 5 0 "[ . 1]" 1
577 1 28 LEU H 1 30 LYS H 3.289 . 5.587 3.912 3.588 4.835 . 0 0 "[ . 1]" 1
578 1 30 LYS H 1 30 LYS HA 2.673 . 4.530 2.912 2.882 2.947 . 0 0 "[ . 1]" 1
579 1 29 GLY HA3 1 30 LYS H 2.903 . 4.914 3.512 3.372 3.581 . 0 0 "[ . 1]" 1
580 1 30 LYS H 1 31 GLY HA3 3.382 2.010 5.754 5.066 4.835 5.215 . 0 0 "[ . 1]" 1
581 1 30 LYS H 1 30 LYS QE 3.535 2.036 6.034 5.093 4.563 5.906 . 0 0 "[ . 1]" 1
582 1 25 ASP HB3 1 30 LYS H 3.501 2.036 5.972 4.354 3.831 4.569 . 0 0 "[ . 1]" 1
583 1 25 ASP HB2 1 30 LYS H 3.467 2.025 5.909 3.455 2.654 3.739 . 0 0 "[ . 1]" 1
584 1 30 LYS H 1 30 LYS HB2 2.660 . 4.509 2.626 2.401 2.935 . 0 0 "[ . 1]" 1
585 1 30 LYS H 1 30 LYS HG2 2.678 . 4.538 3.768 3.535 4.342 . 0 0 "[ . 1]" 1
586 1 30 LYS H 1 31 GLY H 2.090 . 3.614 2.787 2.540 2.922 . 0 0 "[ . 1]" 1
587 1 31 GLY H 1 32 LYS H 2.725 . 4.616 3.712 3.358 4.054 . 0 0 "[ . 1]" 1
588 1 28 LEU H 1 31 GLY H 3.387 2.010 5.764 5.768 5.614 5.913 0.149 1 0 "[ . 1]" 1
589 1 29 GLY H 1 31 GLY H 2.788 . 4.721 4.716 4.685 4.739 0.018 4 0 "[ . 1]" 1
590 1 31 GLY H 1 31 GLY HA3 2.393 . 4.080 2.367 2.321 2.457 . 0 0 "[ . 1]" 1
591 1 25 ASP HB3 1 31 GLY H 3.099 . 5.251 3.647 3.397 4.022 . 0 0 "[ . 1]" 1
592 1 25 ASP HB2 1 31 GLY H 2.761 . 4.676 2.380 1.835 2.966 0.011 1 0 "[ . 1]" 1
593 1 30 LYS HB2 1 31 GLY H 2.673 . 4.530 2.133 2.041 2.269 . 0 0 "[ . 1]" 1
594 1 30 LYS HG2 1 31 GLY H 2.960 . 5.012 4.759 4.645 4.835 . 0 0 "[ . 1]" 1
595 1 32 LYS H 1 33 CYS HA 3.465 2.024 5.906 4.886 4.664 5.363 . 0 0 "[ . 1]" 1
596 1 31 GLY HA3 1 32 LYS H 2.234 . 3.833 2.205 2.148 2.239 . 0 0 "[ . 1]" 1
597 1 25 ASP HB2 1 32 LYS H 3.362 2.006 5.718 2.895 2.776 3.096 . 0 0 "[ . 1]" 1
598 1 32 LYS H 1 32 LYS QD 2.719 . 4.606 4.484 4.291 4.618 0.012 9 0 "[ . 1]" 1
599 1 32 LYS H 1 32 LYS HG2 2.524 . 4.289 2.700 2.413 2.957 . 0 0 "[ . 1]" 1
600 1 32 LYS H 1 33 CYS H 3.488 2.028 5.948 3.899 3.535 4.354 . 0 0 "[ . 1]" 1
601 1 33 CYS H 1 33 CYS HA 2.813 . 4.762 2.909 2.765 2.964 . 0 0 "[ . 1]" 1
602 1 33 CYS H 1 33 CYS HB2 3.170 . 5.376 2.752 2.503 3.302 . 0 0 "[ . 1]" 1
603 1 41 LYS H 1 43 HIS HB2 3.510 2.032 5.988 5.638 5.306 5.961 . 0 0 "[ . 1]" 1
604 1 5 TYR HB3 1 33 CYS H 3.503 2.030 5.976 6.076 5.987 6.164 0.188 7 0 "[ . 1]" 1
605 1 33 CYS H 1 33 CYS HB3 2.971 . 5.030 3.666 3.274 3.888 . 0 0 "[ . 1]" 1
606 1 32 LYS QD 1 33 CYS H 3.412 2.015 5.809 5.484 4.682 5.936 0.127 2 0 "[ . 1]" 1
607 1 33 CYS HA 1 34 THR H 2.368 . 4.041 2.612 2.284 2.784 . 0 0 "[ . 1]" 1
608 1 34 THR H 1 34 THR HA 2.907 . 4.921 2.883 2.844 2.919 . 0 0 "[ . 1]" 1
609 1 34 THR H 1 37 GLY HA2 3.173 . 5.381 5.119 4.636 5.392 0.011 1 0 "[ . 1]" 1
610 1 26 CYS HB3 1 34 THR H 3.061 . 5.185 5.108 4.810 5.321 0.136 5 0 "[ . 1]" 1
611 1 33 CYS HB2 1 34 THR H 2.903 . 4.914 3.411 3.027 3.939 . 0 0 "[ . 1]" 1
612 1 33 CYS HB3 1 34 THR H 3.046 . 5.159 2.482 2.217 2.937 . 0 0 "[ . 1]" 1
613 1 34 THR H 1 34 THR MG 2.386 . 4.069 2.647 2.098 3.704 . 0 0 "[ . 1]" 1
614 1 36 GLU H 1 37 GLY H 3.113 . 5.276 2.644 2.513 2.823 . 0 0 "[ . 1]" 1
615 1 34 THR HB 1 36 GLU H 3.276 . 5.564 3.557 2.805 5.508 . 0 0 "[ . 1]" 1
616 1 35 PRO HA 1 36 GLU H 3.491 2.028 5.954 3.558 3.503 3.611 . 0 0 "[ . 1]" 1
617 1 35 PRO QD 1 36 GLU H 2.816 . 4.768 3.188 2.638 3.696 . 0 0 "[ . 1]" 1
618 1 35 PRO HB3 1 36 GLU H 3.101 . 5.255 3.929 3.737 4.127 . 0 0 "[ . 1]" 1
619 1 36 GLU H 1 36 GLU HB2 2.781 . 4.709 2.591 2.305 3.626 . 0 0 "[ . 1]" 1
620 1 37 GLY H 1 39 GLU HB2 3.513 2.032 5.994 5.772 5.324 6.064 0.070 8 0 "[ . 1]" 1
621 1 37 GLY H 1 38 LYS HG2 3.520 2.033 6.007 5.297 4.690 6.056 0.049 3 0 "[ . 1]" 1
622 1 38 LYS H 1 41 LYS H 3.329 . 5.659 4.865 4.734 5.019 . 0 0 "[ . 1]" 1
623 1 38 LYS H 1 39 GLU H 2.607 . 4.422 2.747 2.562 2.887 . 0 0 "[ . 1]" 1
624 1 91 TRP HA 1 92 ARG H 3.255 . 5.526 3.255 2.733 3.502 . 0 0 "[ . 1]" 1
625 1 26 CYS HA 1 38 LYS H 3.372 2.007 5.737 5.138 4.130 5.773 0.036 4 0 "[ . 1]" 1
626 1 35 PRO HA 1 38 LYS H 3.026 . 5.125 3.397 3.165 3.585 . 0 0 "[ . 1]" 1
627 1 38 LYS H 1 38 LYS HA 2.586 . 4.388 2.792 2.747 2.843 . 0 0 "[ . 1]" 1
628 1 37 GLY HA2 1 38 LYS H 2.903 . 4.914 3.507 3.461 3.558 . 0 0 "[ . 1]" 1
629 1 26 CYS HB3 1 38 LYS H 3.469 2.025 5.913 3.809 3.300 4.183 . 0 0 "[ . 1]" 1
630 1 33 CYS HB3 1 38 LYS H 2.736 . 4.635 4.224 3.640 4.722 0.087 5 0 "[ . 1]" 1
631 1 38 LYS H 1 38 LYS HB2 2.353 . 4.017 2.554 2.330 2.770 . 0 0 "[ . 1]" 1
632 1 38 LYS H 1 38 LYS HD2 3.166 . 5.369 4.642 4.102 4.974 . 0 0 "[ . 1]" 1
633 1 38 LYS H 1 38 LYS HG2 2.694 . 4.565 3.038 2.494 3.621 . 0 0 "[ . 1]" 1
634 1 90 LYS HD2 1 92 ARG H 3.498 2.030 5.966 5.697 4.803 6.067 0.101 5 0 "[ . 1]" 1
635 1 39 GLU H 1 41 LYS H 3.247 . 5.512 3.938 3.705 4.162 . 0 0 "[ . 1]" 1
636 1 39 GLU H 1 40 LEU H 2.535 . 4.306 2.373 2.355 2.400 . 0 0 "[ . 1]" 1
637 1 35 PRO HA 1 39 GLU H 3.006 . 5.090 4.477 4.129 4.676 . 0 0 "[ . 1]" 1
638 1 39 GLU H 1 39 GLU HA 2.496 . 4.244 2.868 2.850 2.888 . 0 0 "[ . 1]" 1
639 1 37 GLY HA2 1 39 GLU H 3.105 . 5.262 4.195 3.952 4.560 . 0 0 "[ . 1]" 1
640 1 39 GLU H 1 42 ASP HB2 3.467 2.025 5.909 5.313 4.545 5.677 . 0 0 "[ . 1]" 1
641 1 39 GLU H 1 39 GLU HG3 2.568 . 4.359 3.291 2.182 4.394 0.035 7 0 "[ . 1]" 1
642 1 39 GLU H 1 39 GLU HB2 2.248 . 3.855 2.485 2.349 2.605 . 0 0 "[ . 1]" 1
643 1 38 LYS HB3 1 39 GLU H 2.755 . 4.666 3.694 3.186 4.078 . 0 0 "[ . 1]" 1
644 1 39 GLU H 1 40 LEU HG 3.444 2.021 5.867 4.789 4.030 6.027 0.160 9 0 "[ . 1]" 1
645 1 38 LYS HG2 1 39 GLU H 2.872 . 4.862 4.836 4.533 4.953 0.091 8 0 "[ . 1]" 1
646 1 39 GLU H 1 40 LEU HB2 3.401 2.013 5.789 5.609 4.823 5.969 0.180 5 0 "[ . 1]" 1
647 1 97 ASP H 1 98 ARG H 2.600 . 4.411 2.836 2.685 2.987 . 0 0 "[ . 1]" 1
648 1 40 LEU H 1 41 LYS H 2.736 . 4.635 2.684 2.482 2.993 . 0 0 "[ . 1]" 1
649 1 38 LYS H 1 40 LEU H 3.531 2.035 6.027 4.311 4.119 4.456 . 0 0 "[ . 1]" 1
650 1 37 GLY H 1 40 LEU H 3.398 2.013 5.783 4.898 4.773 5.010 . 0 0 "[ . 1]" 1
651 1 98 ARG H 1 98 ARG HA 2.620 . 4.444 2.830 2.780 2.859 . 0 0 "[ . 1]" 1
652 1 40 LEU H 1 40 LEU HA 2.707 . 4.587 2.787 2.722 2.841 . 0 0 "[ . 1]" 1
653 1 38 LYS HA 1 40 LEU H 3.243 . 5.505 4.678 4.415 4.959 . 0 0 "[ . 1]" 1
654 1 98 ARG H 1 98 ARG QD 3.000 . 5.080 3.192 2.113 4.236 . 0 0 "[ . 1]" 1
655 1 37 GLY HA3 1 40 LEU H 3.147 . 5.335 4.846 4.690 4.997 . 0 0 "[ . 1]" 1
656 1 97 ASP HB2 1 98 ARG H 2.733 . 4.630 3.781 3.695 3.968 . 0 0 "[ . 1]" 1
657 1 97 ASP HB3 1 98 ARG H 2.802 . 4.744 2.376 2.282 2.616 . 0 0 "[ . 1]" 1
658 1 39 GLU HG3 1 40 LEU H 3.331 . 5.663 4.202 3.597 5.037 . 0 0 "[ . 1]" 1
659 1 40 LEU H 1 40 LEU HB2 2.273 . 3.893 3.305 2.628 3.621 . 0 0 "[ . 1]" 1
660 1 40 LEU H 1 40 LEU HG 2.824 . 4.781 3.025 2.350 4.120 . 0 0 "[ . 1]" 1
661 1 40 LEU H 1 40 LEU HB3 2.730 . 4.625 2.405 2.153 2.720 . 0 0 "[ . 1]" 1
662 1 40 LEU H 1 40 LEU MD2 2.839 . 4.806 3.605 3.229 4.169 . 0 0 "[ . 1]" 1
663 1 41 LYS H 1 42 ASP HA 3.520 2.033 6.007 5.090 4.961 5.206 . 0 0 "[ . 1]" 1
664 1 40 LEU HA 1 41 LYS H 3.226 . 5.475 3.508 3.444 3.573 . 0 0 "[ . 1]" 1
665 1 41 LYS H 1 41 LYS HA 2.768 . 4.687 2.853 2.837 2.873 . 0 0 "[ . 1]" 1
666 1 39 GLU HG3 1 41 LYS H 3.538 2.036 6.040 6.016 5.750 6.129 0.089 7 0 "[ . 1]" 1
667 1 41 LYS H 1 41 LYS QB 2.809 . 4.756 2.363 2.274 2.461 . 0 0 "[ . 1]" 1
668 1 41 LYS H 1 41 LYS HD3 2.645 . 4.485 4.503 4.383 4.547 0.062 6 0 "[ . 1]" 1
669 1 41 LYS H 1 41 LYS HG2 3.039 . 5.148 3.808 3.470 4.031 . 0 0 "[ . 1]" 1
670 1 40 LEU HG 1 41 LYS H 3.241 . 5.501 2.502 2.223 2.861 . 0 0 "[ . 1]" 1
671 1 40 LEU MD2 1 41 LYS H 3.206 . 5.439 3.859 3.396 4.277 . 0 0 "[ . 1]" 1
672 1 38 LYS HA 1 42 ASP H 3.227 . 5.477 4.034 3.767 4.323 . 0 0 "[ . 1]" 1
673 1 41 LYS HA 1 42 ASP H 3.354 2.004 5.704 3.490 3.453 3.557 . 0 0 "[ . 1]" 1
674 1 42 ASP H 1 42 ASP HB2 2.963 . 5.017 2.579 2.392 2.765 . 0 0 "[ . 1]" 1
675 1 41 LYS QB 1 42 ASP H 3.154 . 5.348 2.770 2.630 2.959 . 0 0 "[ . 1]" 1
676 1 41 LYS HG2 1 42 ASP H 3.513 2.032 5.994 5.179 5.093 5.369 . 0 0 "[ . 1]" 1
677 1 42 ASP H 1 43 HIS H 2.953 . 4.999 2.732 2.577 2.899 . 0 0 "[ . 1]" 1
678 1 66 SER H 1 67 ILE H 2.624 . 4.451 2.690 2.605 2.809 . 0 0 "[ . 1]" 1
679 1 65 THR H 1 66 SER H 2.618 . 4.440 2.650 2.502 2.796 . 0 0 "[ . 1]" 1
680 1 59 GLN H 1 59 GLN HE21 3.444 2.021 5.867 5.067 4.831 5.459 . 0 0 "[ . 1]" 1
681 1 65 THR HB 1 66 SER H 2.501 . 4.252 2.924 2.134 3.998 . 0 0 "[ . 1]" 1
682 1 66 SER H 1 66 SER HB3 2.560 . 4.347 3.176 2.591 3.556 . 0 0 "[ . 1]" 1
683 1 66 SER H 1 66 SER HA 2.526 . 4.292 2.777 2.747 2.791 . 0 0 "[ . 1]" 1
684 1 59 GLN H 1 59 GLN HA 2.518 . 4.279 2.847 2.805 2.881 . 0 0 "[ . 1]" 1
685 1 43 HIS H 1 43 HIS HB2 2.719 . 4.606 2.444 2.374 2.516 . 0 0 "[ . 1]" 1
686 1 42 ASP HB2 1 43 HIS H 2.885 . 4.884 3.779 3.610 3.923 . 0 0 "[ . 1]" 1
687 1 65 THR MG 1 66 SER H 2.758 . 4.671 3.380 2.170 4.054 . 0 0 "[ . 1]" 1
688 1 10 LEU HB2 1 66 SER H 3.508 2.031 5.985 5.971 5.666 6.066 0.081 7 0 "[ . 1]" 1
689 1 95 TYR H 1 96 GLU H 2.843 . 4.813 2.753 2.486 2.923 . 0 0 "[ . 1]" 1
690 1 95 TYR H 1 98 ARG H 3.379 2.009 5.749 4.794 4.572 4.976 . 0 0 "[ . 1]" 1
691 1 50 THR H 1 52 CYS H 3.403 2.013 5.793 5.448 4.152 5.887 0.094 5 0 "[ . 1]" 1
692 1 93 LYS HA 1 95 TYR H 3.507 2.031 5.983 4.369 4.080 4.547 . 0 0 "[ . 1]" 1
693 1 52 CYS H 1 53 GLU HA 3.307 . 5.619 4.566 4.268 5.327 . 0 0 "[ . 1]" 1
694 1 43 HIS HB2 1 44 LEU H 3.098 . 5.250 2.886 2.538 3.178 . 0 0 "[ . 1]" 1
695 1 95 TYR H 1 95 TYR QB 2.761 . 4.676 2.225 2.097 2.477 . 0 0 "[ . 1]" 1
696 1 52 CYS H 1 55 CYS HB2 3.439 2.019 5.859 5.202 4.548 5.878 0.019 7 0 "[ . 1]" 1
697 1 52 CYS H 1 52 CYS HB3 3.453 2.022 5.884 2.979 2.746 3.487 . 0 0 "[ . 1]" 1
698 1 94 LYS QB 1 95 TYR H 2.705 . 4.583 2.561 2.112 3.527 . 0 0 "[ . 1]" 1
699 1 44 LEU H 1 44 LEU HB2 3.459 2.023 5.895 2.494 2.439 2.583 . 0 0 "[ . 1]" 1
700 1 94 LYS HD2 1 95 TYR H 3.323 . 5.648 4.866 4.410 5.212 . 0 0 "[ . 1]" 1
701 1 47 ALA MB 1 52 CYS H 3.268 . 5.550 3.133 2.613 3.721 . 0 0 "[ . 1]" 1
702 1 44 LEU H 1 44 LEU MD2 3.378 2.009 5.747 4.133 3.945 4.234 . 0 0 "[ . 1]" 1
703 1 44 LEU H 1 45 GLN H 3.187 . 5.406 2.682 2.634 2.790 . 0 0 "[ . 1]" 1
704 1 97 ASP H 1 99 ALA H 3.225 . 5.473 4.253 4.037 4.441 . 0 0 "[ . 1]" 1
705 1 97 ASP H 1 97 ASP HA 2.620 . 4.444 2.793 2.756 2.863 . 0 0 "[ . 1]" 1
706 1 43 HIS HA 1 45 GLN H 3.465 2.024 5.906 4.898 4.700 5.101 . 0 0 "[ . 1]" 1
707 1 42 ASP HA 1 45 GLN H 3.346 2.003 5.689 4.339 4.013 4.532 . 0 0 "[ . 1]" 1
708 1 45 GLN H 1 45 GLN HA 3.000 . 5.080 2.806 2.774 2.824 . 0 0 "[ . 1]" 1
709 1 41 LYS HA 1 45 GLN H 3.531 2.035 6.027 3.081 2.706 3.407 . 0 0 "[ . 1]" 1
710 1 44 LEU HA 1 45 GLN H 3.482 2.027 5.937 3.586 3.551 3.624 . 0 0 "[ . 1]" 1
711 1 97 ASP H 1 97 ASP HB3 2.490 . 4.234 2.443 2.305 2.613 . 0 0 "[ . 1]" 1
712 1 44 LEU HB3 1 45 GLN H 2.828 . 4.788 2.505 2.376 2.642 . 0 0 "[ . 1]" 1
713 1 41 LYS HG2 1 45 GLN H 3.193 . 5.417 5.217 4.815 5.479 0.062 1 0 "[ . 1]" 1
714 1 44 LEU HB2 1 45 GLN H 3.500 2.030 5.970 3.829 3.743 3.947 . 0 0 "[ . 1]" 1
715 1 93 LYS HG3 1 97 ASP H 3.488 2.028 5.948 4.611 4.199 5.660 . 0 0 "[ . 1]" 1
716 1 44 LEU MD1 1 45 GLN H 3.503 2.030 5.976 4.582 4.421 4.804 . 0 0 "[ . 1]" 1
717 1 45 GLN H 1 46 GLU H 2.813 . 4.762 2.623 2.525 2.719 . 0 0 "[ . 1]" 1
718 1 46 GLU H 1 48 LEU H 3.386 2.011 5.761 3.944 3.789 4.104 . 0 0 "[ . 1]" 1
719 1 44 LEU H 1 46 GLU H 3.151 . 5.342 3.679 3.496 3.913 . 0 0 "[ . 1]" 1
720 1 46 GLU H 1 47 ALA H 2.781 . 4.709 2.641 2.536 2.786 . 0 0 "[ . 1]" 1
721 1 42 ASP HA 1 46 GLU H 3.112 . 5.274 4.124 3.945 4.298 . 0 0 "[ . 1]" 1
722 1 46 GLU H 1 46 GLU HA 2.716 . 4.601 2.825 2.794 2.858 . 0 0 "[ . 1]" 1
723 1 46 GLU H 1 46 GLU HB2 2.192 . 3.768 2.556 2.452 2.640 . 0 0 "[ . 1]" 1
724 1 46 GLU H 1 46 GLU HB3 2.376 . 4.054 2.455 2.268 2.608 . 0 0 "[ . 1]" 1
725 1 46 GLU H 1 48 LEU HB3 3.505 2.031 5.979 4.848 4.445 5.189 . 0 0 "[ . 1]" 1
726 1 44 LEU HA 1 47 ALA H 3.261 . 5.537 3.227 3.095 3.378 . 0 0 "[ . 1]" 1
727 1 46 GLU HB2 1 47 ALA H 3.152 . 5.344 3.811 3.635 4.057 . 0 0 "[ . 1]" 1
728 1 48 LEU H 1 49 GLU H 2.774 . 4.698 2.806 2.425 2.973 . 0 0 "[ . 1]" 1
729 1 48 LEU H 1 52 CYS H 3.462 2.023 5.901 5.149 4.472 5.566 . 0 0 "[ . 1]" 1
730 1 47 ALA H 1 48 LEU H 3.067 . 5.196 2.580 2.501 2.710 . 0 0 "[ . 1]" 1
731 1 47 ALA HA 1 48 LEU H 3.249 . 5.516 3.420 3.371 3.487 . 0 0 "[ . 1]" 1
732 1 48 LEU H 1 48 LEU HB2 2.885 . 4.884 2.531 2.261 2.751 . 0 0 "[ . 1]" 1
733 1 47 ALA MB 1 48 LEU H 2.707 . 4.587 2.675 2.498 2.836 . 0 0 "[ . 1]" 1
734 1 49 GLU H 1 52 CYS H 3.459 2.023 5.895 5.436 4.632 5.938 0.043 9 0 "[ . 1]" 1
735 1 46 GLU H 1 49 GLU H 3.453 2.022 5.884 5.135 4.470 5.593 . 0 0 "[ . 1]" 1
736 1 49 GLU H 1 50 THR H 2.966 . 5.021 2.792 2.139 3.284 . 0 0 "[ . 1]" 1
737 1 49 GLU H 1 50 THR HA 3.410 2.014 5.806 4.983 4.639 5.348 . 0 0 "[ . 1]" 1
738 1 47 ALA HA 1 49 GLU H 3.517 2.033 6.001 4.199 3.840 4.702 . 0 0 "[ . 1]" 1
739 1 49 GLU H 1 49 GLU HG2 3.299 . 5.605 4.737 4.389 5.122 . 0 0 "[ . 1]" 1
740 1 49 GLU H 1 49 GLU HG3 3.338 2.001 5.675 4.624 4.366 5.267 . 0 0 "[ . 1]" 1
741 1 49 GLU H 1 49 GLU HB2 2.798 . 4.738 2.964 2.443 3.429 . 0 0 "[ . 1]" 1
742 1 46 GLU QG 1 49 GLU H 3.505 2.031 5.979 4.646 4.276 4.969 . 0 0 "[ . 1]" 1
743 1 46 GLU HB2 1 49 GLU H 3.456 2.023 5.889 5.762 5.279 6.049 0.160 6 0 "[ . 1]" 1
744 1 48 LEU HB3 1 49 GLU H 3.282 . 5.575 2.670 2.239 3.154 . 0 0 "[ . 1]" 1
745 1 49 GLU H 1 81 LEU HB2 3.472 2.026 5.918 5.566 4.795 5.985 0.067 3 0 "[ . 1]" 1
746 1 48 LEU H 1 50 THR H 3.402 2.013 5.791 5.108 4.089 5.888 0.097 6 0 "[ . 1]" 1
747 1 50 THR H 1 85 PHE HB3 3.515 2.032 5.998 4.817 3.969 6.003 0.005 8 0 "[ . 1]" 1
748 1 49 GLU HG3 1 50 THR H 3.358 2.005 5.711 3.430 2.215 4.985 . 0 0 "[ . 1]" 1
749 1 50 THR H 1 85 PHE HB2 3.542 2.036 6.048 4.585 3.659 5.885 . 0 0 "[ . 1]" 1
750 1 50 THR H 1 81 LEU HB2 3.444 2.021 5.867 5.744 4.606 5.951 0.084 7 0 "[ . 1]" 1
751 1 50 THR H 1 50 THR MG 3.319 . 5.641 3.732 2.644 4.027 . 0 0 "[ . 1]" 1
752 1 49 GLU H 1 51 GLY H 3.366 2.007 5.725 3.457 2.803 4.579 . 0 0 "[ . 1]" 1
753 1 51 GLY H 1 52 CYS H 3.127 . 5.300 3.336 2.072 4.160 . 0 0 "[ . 1]" 1
754 1 50 THR H 1 51 GLY H 2.967 . 5.023 2.403 2.133 2.737 . 0 0 "[ . 1]" 1
755 1 50 THR HA 1 51 GLY H 3.386 2.011 5.761 3.226 2.886 3.588 . 0 0 "[ . 1]" 1
756 1 49 GLU HA 1 51 GLY H 3.544 2.037 6.051 4.545 3.994 5.606 . 0 0 "[ . 1]" 1
757 1 51 GLY H 1 52 CYS HA 3.478 2.026 5.930 4.823 4.333 5.433 . 0 0 "[ . 1]" 1
758 1 49 GLU HG2 1 51 GLY H 3.505 2.031 5.979 5.776 4.542 6.046 0.067 10 0 "[ . 1]" 1
759 1 49 GLU HB3 1 51 GLY H 3.403 2.013 5.793 4.117 2.813 4.665 . 0 0 "[ . 1]" 1
760 1 43 HIS H 1 44 LEU H 3.356 2.005 5.707 2.552 2.421 2.626 . 0 0 "[ . 1]" 1
761 1 91 TRP HA 1 95 TYR H 3.496 2.029 5.963 4.475 4.237 4.672 . 0 0 "[ . 1]" 1
762 1 52 CYS H 1 52 CYS HA 2.699 . 4.573 2.853 2.750 2.909 . 0 0 "[ . 1]" 1
763 1 64 GLU H 1 65 THR HA 3.513 2.032 5.994 5.390 5.056 5.576 . 0 0 "[ . 1]" 1
764 1 52 CYS H 1 53 GLU H 2.898 . 4.906 3.653 3.211 3.939 . 0 0 "[ . 1]" 1
765 1 53 GLU H 1 54 LYS HA 3.396 2.012 5.780 5.105 4.782 5.354 . 0 0 "[ . 1]" 1
766 1 52 CYS HA 1 53 GLU H 2.707 . 4.587 2.195 2.014 2.621 . 0 0 "[ . 1]" 1
767 1 53 GLU H 1 53 GLU HA 2.578 . 4.375 2.856 2.764 2.930 . 0 0 "[ . 1]" 1
768 1 52 CYS HB3 1 53 GLU H 3.266 . 5.546 4.389 4.151 4.494 . 0 0 "[ . 1]" 1
769 1 53 GLU H 1 53 GLU HB2 2.386 . 4.069 3.141 2.509 3.630 . 0 0 "[ . 1]" 1
770 1 53 GLU H 1 53 GLU HB3 2.526 . 4.292 2.775 2.431 3.551 . 0 0 "[ . 1]" 1
771 1 53 GLU H 1 54 LYS HG2 3.528 2.035 6.021 4.999 3.344 6.043 0.022 3 0 "[ . 1]" 1
772 1 53 GLU H 1 63 ALA MB 3.311 . 5.627 4.693 4.261 5.427 . 0 0 "[ . 1]" 1
773 1 53 GLU H 1 54 LYS H 2.802 . 4.744 2.469 2.027 2.828 . 0 0 "[ . 1]" 1
774 1 54 LYS H 1 54 LYS HA 2.578 . 4.375 2.879 2.821 2.925 . 0 0 "[ . 1]" 1
775 1 52 CYS HA 1 54 LYS H 3.054 . 5.173 3.518 2.885 3.974 . 0 0 "[ . 1]" 1
776 1 53 GLU HA 1 54 LYS H 2.781 . 4.709 3.442 3.284 3.534 . 0 0 "[ . 1]" 1
777 1 53 GLU HB3 1 54 LYS H 2.781 . 4.709 3.459 2.091 4.148 . 0 0 "[ . 1]" 1
778 1 54 LYS H 1 54 LYS QB 2.653 . 4.497 2.781 2.602 2.944 . 0 0 "[ . 1]" 1
779 1 53 GLU HB2 1 54 LYS H 2.629 . 4.458 3.551 2.125 4.219 . 0 0 "[ . 1]" 1
780 1 54 LYS H 1 54 LYS HG3 2.688 . 4.555 2.103 1.805 2.888 0.016 10 0 "[ . 1]" 1
781 1 54 LYS H 1 55 CYS H 2.374 . 4.050 2.801 2.477 3.074 . 0 0 "[ . 1]" 1
782 1 55 CYS H 1 56 THR H 3.111 . 5.273 3.729 3.282 4.523 . 0 0 "[ . 1]" 1
783 1 54 LYS HA 1 55 CYS H 2.675 . 4.534 3.023 2.950 3.203 . 0 0 "[ . 1]" 1
784 1 55 CYS H 1 55 CYS HA 2.629 . 4.458 2.841 2.795 2.895 . 0 0 "[ . 1]" 1
785 1 55 CYS H 1 60 GLU HA 2.978 . 5.042 4.340 4.089 4.670 . 0 0 "[ . 1]" 1
786 1 52 CYS HA 1 55 CYS H 2.843 . 4.813 4.620 4.265 4.843 0.030 10 0 "[ . 1]" 1
787 1 53 GLU HA 1 55 CYS H 3.137 . 5.318 3.699 3.298 4.010 . 0 0 "[ . 1]" 1
788 1 55 CYS H 1 55 CYS HB3 2.613 . 4.433 3.506 3.394 3.630 . 0 0 "[ . 1]" 1
789 1 55 CYS H 1 55 CYS HB2 2.447 . 4.166 2.225 2.084 2.380 . 0 0 "[ . 1]" 1
790 1 52 CYS HB3 1 55 CYS H 3.201 . 5.431 4.537 4.174 5.145 . 0 0 "[ . 1]" 1
791 1 54 LYS HG2 1 55 CYS H 3.258 . 5.532 5.128 3.592 5.565 0.033 8 0 "[ . 1]" 1
792 1 54 LYS HG3 1 55 CYS H 3.231 . 5.484 4.050 3.144 4.495 . 0 0 "[ . 1]" 1
793 1 56 THR H 1 60 GLU H 3.344 2.002 5.686 3.745 3.504 4.247 . 0 0 "[ . 1]" 1
794 1 56 THR H 1 59 GLN H 3.135 . 5.314 3.546 3.073 4.317 . 0 0 "[ . 1]" 1
795 1 56 THR H 1 56 THR HA 2.778 . 4.704 2.890 2.841 2.912 . 0 0 "[ . 1]" 1
796 1 56 THR H 1 60 GLU HA 3.302 . 5.610 5.648 5.555 5.731 0.121 7 0 "[ . 1]" 1
797 1 56 THR H 1 59 GLN HA 3.316 . 5.635 5.136 4.783 5.626 . 0 0 "[ . 1]" 1
798 1 55 CYS HB2 1 56 THR H 3.308 . 5.621 2.630 2.398 3.469 . 0 0 "[ . 1]" 1
799 1 56 THR H 1 59 GLN HB2 2.950 . 4.995 2.237 1.876 2.683 0.029 1 0 "[ . 1]" 1
800 1 58 ALA H 1 60 GLU H 3.130 . 5.306 4.227 4.040 4.352 . 0 0 "[ . 1]" 1
801 1 57 GLU H 1 58 ALA H 2.551 . 4.332 2.819 2.352 3.202 . 0 0 "[ . 1]" 1
802 1 57 GLU H 1 59 GLN H 3.146 . 5.334 4.212 3.991 4.522 . 0 0 "[ . 1]" 1
803 1 56 THR HB 1 57 GLU H 2.495 . 4.242 2.709 2.158 3.821 . 0 0 "[ . 1]" 1
804 1 56 THR HA 1 57 GLU H 2.292 . 3.923 2.463 2.297 2.644 . 0 0 "[ . 1]" 1
805 1 57 GLU H 1 57 GLU HA 2.466 . 4.196 2.756 2.680 2.842 . 0 0 "[ . 1]" 1
806 1 77 ILE HA 1 78 TRP H 3.375 2.008 5.742 3.492 3.426 3.531 . 0 0 "[ . 1]" 1
807 1 78 TRP H 1 78 TRP HB2 2.945 . 4.986 2.636 2.502 2.721 . 0 0 "[ . 1]" 1
808 1 78 TRP H 1 78 TRP HB3 2.943 . 4.982 2.495 2.449 2.551 . 0 0 "[ . 1]" 1
809 1 57 GLU H 1 57 GLU HG2 2.722 . 4.611 3.454 2.096 4.500 . 0 0 "[ . 1]" 1
810 1 57 GLU H 1 57 GLU HG3 2.650 . 4.493 3.899 3.240 4.461 . 0 0 "[ . 1]" 1
811 1 57 GLU H 1 57 GLU HB3 2.332 . 3.985 2.559 2.426 2.693 . 0 0 "[ . 1]" 1
812 1 60 GLU H 1 61 LYS QB 3.330 . 5.661 4.789 4.279 5.004 . 0 0 "[ . 1]" 1
813 1 77 ILE MG 1 78 TRP H 3.491 2.028 5.954 3.587 3.393 3.724 . 0 0 "[ . 1]" 1
814 1 58 ALA H 1 59 GLN H 2.513 . 4.271 2.648 2.426 2.768 . 0 0 "[ . 1]" 1
815 1 56 THR HB 1 58 ALA H 2.903 . 4.914 3.067 2.649 3.646 . 0 0 "[ . 1]" 1
816 1 57 GLU HG2 1 58 ALA H 2.855 . 4.833 2.970 2.305 3.622 . 0 0 "[ . 1]" 1
817 1 57 GLU HG3 1 58 ALA H 2.847 . 4.820 3.685 2.182 4.693 . 0 0 "[ . 1]" 1
818 1 59 GLN H 1 60 GLU H 2.560 . 4.347 2.604 2.463 2.778 . 0 0 "[ . 1]" 1
819 1 58 ALA MB 1 59 GLN H 2.442 . 4.158 2.583 2.373 2.736 . 0 0 "[ . 1]" 1
820 1 60 GLU H 1 60 GLU HA 2.686 . 4.551 2.780 2.745 2.817 . 0 0 "[ . 1]" 1
821 1 55 CYS HB3 1 60 GLU H 3.072 . 5.205 5.129 3.776 5.323 0.118 2 0 "[ . 1]" 1
822 1 60 GLU H 1 60 GLU HG3 2.616 . 4.437 2.884 2.181 3.220 . 0 0 "[ . 1]" 1
823 1 60 GLU H 1 60 GLU HB2 2.574 . 4.369 3.480 2.600 3.717 . 0 0 "[ . 1]" 1
824 1 60 GLU H 1 61 LYS H 2.648 . 4.489 2.840 2.611 2.973 . 0 0 "[ . 1]" 1
825 1 58 ALA H 1 61 LYS H 3.206 . 5.439 4.854 4.764 4.964 . 0 0 "[ . 1]" 1
826 1 61 LYS H 1 61 LYS HA 2.488 . 4.231 2.846 2.822 2.871 . 0 0 "[ . 1]" 1
827 1 60 GLU HG2 1 61 LYS H 2.519 . 4.281 3.353 2.629 4.458 0.177 9 0 "[ . 1]" 1
828 1 61 LYS H 1 61 LYS QB 2.205 . 3.789 2.406 2.168 2.577 . 0 0 "[ . 1]" 1
829 1 62 GLY H 1 63 ALA H 2.631 . 4.462 2.559 2.396 2.662 . 0 0 "[ . 1]" 1
830 1 62 GLY H 1 62 GLY QA 2.244 . 3.848 2.170 2.112 2.206 . 0 0 "[ . 1]" 1
831 1 62 GLY H 1 64 GLU HG2 3.348 2.003 5.693 4.951 4.470 5.832 0.139 1 0 "[ . 1]" 1
832 1 61 LYS QB 1 62 GLY H 2.516 . 4.276 2.646 2.307 2.870 . 0 0 "[ . 1]" 1
833 1 63 ALA H 1 64 GLU H 2.470 . 4.202 2.735 2.614 2.903 . 0 0 "[ . 1]" 1
834 1 62 GLY QA 1 63 ALA H 2.791 . 4.726 2.665 2.529 2.791 . 0 0 "[ . 1]" 1
835 1 61 LYS QB 1 63 ALA H 3.519 2.033 6.005 4.700 4.429 4.853 . 0 0 "[ . 1]" 1
836 1 63 ALA H 1 63 ALA MB 2.389 . 4.074 2.220 2.204 2.240 . 0 0 "[ . 1]" 1
837 1 64 GLU H 1 65 THR H 2.716 . 4.601 2.758 2.421 3.014 . 0 0 "[ . 1]" 1
838 1 64 GLU H 1 66 SER H 3.242 . 5.503 4.276 4.022 4.576 . 0 0 "[ . 1]" 1
839 1 64 GLU H 1 65 THR HB 3.378 2.009 5.747 5.266 4.914 5.886 0.139 10 0 "[ . 1]" 1
840 1 61 LYS HA 1 64 GLU H 2.942 . 4.981 3.462 2.948 3.948 . 0 0 "[ . 1]" 1
841 1 63 ALA HA 1 64 GLU H 3.145 . 5.332 3.542 3.503 3.582 . 0 0 "[ . 1]" 1
842 1 62 GLY QA 1 64 GLU H 3.493 2.029 5.957 4.143 3.927 4.367 . 0 0 "[ . 1]" 1
843 1 53 GLU HA 1 64 GLU H 3.480 2.027 5.933 5.818 5.461 6.013 0.080 7 0 "[ . 1]" 1
844 1 64 GLU H 1 64 GLU HA 2.832 . 4.794 2.806 2.766 2.867 . 0 0 "[ . 1]" 1
845 1 64 GLU H 1 64 GLU HG3 2.443 . 4.159 3.056 1.991 3.637 . 0 0 "[ . 1]" 1
846 1 63 ALA MB 1 64 GLU H 2.572 . 4.366 2.345 2.101 2.636 . 0 0 "[ . 1]" 1
847 1 65 THR H 1 65 THR HB 2.813 . 4.762 2.757 2.460 3.485 . 0 0 "[ . 1]" 1
848 1 63 ALA HA 1 65 THR H 3.279 . 5.569 4.485 4.330 4.702 . 0 0 "[ . 1]" 1
849 1 65 THR H 1 65 THR HA 2.889 . 4.891 2.865 2.809 2.913 . 0 0 "[ . 1]" 1
850 1 64 GLU HG2 1 65 THR H 2.954 . 5.001 3.560 2.804 4.547 . 0 0 "[ . 1]" 1
851 1 67 ILE H 1 67 ILE MD 3.015 . 5.106 3.540 3.288 3.661 . 0 0 "[ . 1]" 1
852 1 65 THR HB 1 67 ILE H 3.384 2.010 5.758 5.252 4.825 5.809 0.051 2 0 "[ . 1]" 1
853 1 64 GLU HA 1 67 ILE H 3.122 . 5.292 3.569 2.921 4.437 . 0 0 "[ . 1]" 1
854 1 67 ILE H 1 68 ASP HB3 3.495 2.029 5.961 4.760 4.619 5.020 . 0 0 "[ . 1]" 1
855 1 67 ILE H 1 67 ILE HB 2.624 . 4.451 2.464 2.411 2.528 . 0 0 "[ . 1]" 1
856 1 67 ILE H 1 67 ILE HG13 2.832 . 4.794 2.227 2.087 2.377 . 0 0 "[ . 1]" 1
857 1 48 LEU MD2 1 67 ILE H 3.480 2.027 5.933 4.847 3.979 5.703 . 0 0 "[ . 1]" 1
858 1 65 THR H 1 68 ASP H 3.419 2.016 5.822 4.685 4.522 4.840 . 0 0 "[ . 1]" 1
859 1 66 SER HA 1 68 ASP H 3.419 2.016 5.822 4.305 3.993 4.515 . 0 0 "[ . 1]" 1
860 1 68 ASP H 1 68 ASP HA 2.961 . 5.013 2.776 2.718 2.810 . 0 0 "[ . 1]" 1
861 1 68 ASP H 1 68 ASP HB2 2.755 . 4.666 2.589 2.470 2.794 . 0 0 "[ . 1]" 1
862 1 68 ASP H 1 68 ASP HB3 2.957 . 5.006 2.457 2.330 2.579 . 0 0 "[ . 1]" 1
863 1 68 ASP H 1 70 LEU HB3 3.314 . 5.632 5.315 4.811 5.637 0.005 4 0 "[ . 1]" 1
864 1 67 ILE HB 1 68 ASP H 2.907 . 4.921 2.698 2.548 2.927 . 0 0 "[ . 1]" 1
865 1 67 ILE MG 1 68 ASP H 3.354 2.004 5.704 3.386 3.211 3.549 . 0 0 "[ . 1]" 1
866 1 68 ASP H 1 69 TYR H 2.691 . 4.560 2.991 2.925 3.097 . 0 0 "[ . 1]" 1
867 1 69 TYR H 1 70 LEU H 2.653 . 4.497 2.550 2.481 2.627 . 0 0 "[ . 1]" 1
868 1 11 GLN HE22 1 69 TYR H 3.324 . 5.650 3.327 2.633 5.671 0.021 7 0 "[ . 1]" 1
869 1 69 TYR H 1 69 TYR QD 3.376 2.008 5.744 4.155 3.998 4.309 . 0 0 "[ . 1]" 1
870 1 69 TYR H 1 69 TYR HA 2.688 . 4.555 2.865 2.839 2.894 . 0 0 "[ . 1]" 1
871 1 69 TYR H 1 69 TYR HB2 2.528 . 4.295 2.567 2.447 2.665 . 0 0 "[ . 1]" 1
872 1 69 TYR H 1 69 TYR HB3 2.540 . 4.314 3.075 2.779 3.231 . 0 0 "[ . 1]" 1
873 1 68 ASP HB2 1 69 TYR H 2.746 . 4.651 3.829 3.757 3.976 . 0 0 "[ . 1]" 1
874 1 69 TYR H 1 70 LEU HB3 3.091 . 5.237 4.873 4.659 5.025 . 0 0 "[ . 1]" 1
875 1 69 TYR H 1 72 LYS QD 3.328 . 5.657 4.637 3.805 5.583 . 0 0 "[ . 1]" 1
876 1 14 LEU MD2 1 69 TYR H 3.166 . 5.369 2.842 2.544 3.239 . 0 0 "[ . 1]" 1
877 1 69 TYR H 1 104 ILE MD 3.522 2.033 6.011 4.758 4.497 5.121 . 0 0 "[ . 1]" 1
878 1 69 TYR HB3 1 70 LEU H 2.990 . 5.063 3.152 2.865 3.350 . 0 0 "[ . 1]" 1
879 1 14 LEU HG 1 70 LEU H 3.116 . 5.281 3.554 3.266 3.944 . 0 0 "[ . 1]" 1
880 1 71 ILE H 1 73 ASN H 3.356 2.005 5.707 4.187 4.053 4.563 . 0 0 "[ . 1]" 1
881 1 82 THR HB 1 86 ASP H 3.495 2.029 5.961 5.063 3.777 5.620 . 0 0 "[ . 1]" 1
882 1 71 ILE H 1 78 TRP HB2 3.439 2.027 5.859 5.324 5.054 5.773 . 0 0 "[ . 1]" 1
883 1 70 LEU HB2 1 71 ILE H 2.973 . 5.034 3.774 3.605 3.909 . 0 0 "[ . 1]" 1
884 1 71 ILE H 1 104 ILE HG13 3.456 2.023 5.889 4.890 4.533 5.629 . 0 0 "[ . 1]" 1
885 1 71 ILE H 1 71 ILE HB 2.609 . 4.426 2.542 2.450 2.606 . 0 0 "[ . 1]" 1
886 1 71 ILE H 1 104 ILE MD 3.380 2.009 5.751 4.887 4.342 5.427 . 0 0 "[ . 1]" 1
887 1 71 ILE H 1 72 LYS H 2.648 . 4.489 2.630 2.509 2.744 . 0 0 "[ . 1]" 1
888 1 71 ILE HA 1 72 LYS H 3.109 . 5.269 3.520 3.450 3.585 . 0 0 "[ . 1]" 1
889 1 72 LYS H 1 72 LYS HG2 2.885 . 4.884 2.667 1.998 3.768 . 0 0 "[ . 1]" 1
890 1 72 LYS H 1 72 LYS HG3 2.678 . 4.538 3.167 2.136 3.878 . 0 0 "[ . 1]" 1
891 1 72 LYS H 1 104 ILE MD 2.974 . 5.035 4.020 3.166 5.040 0.005 1 0 "[ . 1]" 1
892 1 73 ASN H 1 75 LEU H 2.851 . 4.827 4.473 3.643 4.763 . 0 0 "[ . 1]" 1
893 1 72 LYS H 1 73 ASN H 2.616 . 4.437 2.629 2.446 2.836 . 0 0 "[ . 1]" 1
894 1 73 ASN H 1 74 GLU HA 3.375 2.008 5.742 4.728 4.577 4.833 . 0 0 "[ . 1]" 1
895 1 73 ASN H 1 73 ASN HA 2.912 . 4.929 2.954 2.930 2.974 . 0 0 "[ . 1]" 1
896 1 73 ASN H 1 73 ASN QB 2.749 . 4.656 2.607 2.410 2.760 . 0 0 "[ . 1]" 1
897 1 72 LYS HG2 1 73 ASN H 3.078 . 5.215 3.865 2.536 5.230 0.015 1 0 "[ . 1]" 1
898 1 74 GLU H 1 75 LEU H 2.620 . 4.444 3.364 3.070 3.657 . 0 0 "[ . 1]" 1
899 1 73 ASN H 1 74 GLU H 2.341 . 3.999 2.234 1.997 2.542 . 0 0 "[ . 1]" 1
900 1 72 LYS H 1 74 GLU H 3.344 2.002 5.686 4.390 3.948 4.637 . 0 0 "[ . 1]" 1
901 1 74 GLU H 1 74 GLU HA 2.710 . 4.591 2.919 2.869 2.957 . 0 0 "[ . 1]" 1
902 1 73 ASN HA 1 74 GLU H 3.065 . 5.193 3.565 3.459 3.627 . 0 0 "[ . 1]" 1
903 1 70 LEU HA 1 74 GLU H 2.771 . 4.692 2.741 2.440 3.000 . 0 0 "[ . 1]" 1
904 1 73 ASN QB 1 74 GLU H 2.974 . 5.035 2.488 2.286 2.938 . 0 0 "[ . 1]" 1
905 1 74 GLU H 1 74 GLU QG 2.872 . 4.862 3.259 2.590 4.303 . 0 0 "[ . 1]" 1
906 1 70 LEU HB2 1 74 GLU H 3.459 2.023 5.895 5.194 4.954 5.443 . 0 0 "[ . 1]" 1
907 1 72 LYS HG3 1 74 GLU H 3.461 2.024 5.898 5.813 5.514 6.101 0.203 1 0 "[ . 1]" 1
908 1 75 LEU H 1 76 GLU H 2.257 . 3.868 2.689 2.452 2.839 . 0 0 "[ . 1]" 1
909 1 74 GLU HA 1 75 LEU H 2.342 . 4.000 2.339 2.095 2.780 . 0 0 "[ . 1]" 1
910 1 75 LEU H 1 75 LEU HA 2.516 . 4.276 2.821 2.786 2.878 . 0 0 "[ . 1]" 1
911 1 75 LEU H 1 76 GLU HA 3.495 2.029 5.961 5.217 4.935 5.330 . 0 0 "[ . 1]" 1
912 1 70 LEU HA 1 75 LEU H 3.178 . 5.390 5.370 4.918 5.477 0.087 4 0 "[ . 1]" 1
913 1 75 LEU H 1 75 LEU MD1 2.638 . 4.473 3.670 1.802 4.167 0.001 7 0 "[ . 1]" 1
914 1 77 ILE H 1 78 TRP H 2.650 . 4.493 2.506 2.409 2.624 . 0 0 "[ . 1]" 1
915 1 75 LEU H 1 77 ILE H 3.124 . 5.295 4.370 3.935 4.762 . 0 0 "[ . 1]" 1
916 1 74 GLU HA 1 77 ILE H 3.210 . 5.447 4.259 3.646 4.969 . 0 0 "[ . 1]" 1
917 1 96 GLU HA 1 99 ALA H 3.171 . 5.377 3.911 3.408 4.113 . 0 0 "[ . 1]" 1
918 1 77 ILE H 1 77 ILE HA 2.616 . 4.437 2.841 2.814 2.870 . 0 0 "[ . 1]" 1
919 1 77 ILE H 1 78 TRP HB3 3.351 2.004 5.698 4.645 4.507 4.890 . 0 0 "[ . 1]" 1
920 1 76 GLU HG2 1 77 ILE H 2.667 . 4.521 3.818 2.600 4.463 . 0 0 "[ . 1]" 1
921 1 77 ILE H 1 77 ILE HB 2.313 . 3.955 2.513 2.474 2.575 . 0 0 "[ . 1]" 1
922 1 76 GLU HB2 1 77 ILE H 2.609 . 4.426 3.095 2.522 4.016 . 0 0 "[ . 1]" 1
923 1 77 ILE H 1 77 ILE HG12 2.466 . 4.196 2.536 2.073 3.557 . 0 0 "[ . 1]" 1
924 1 77 ILE H 1 77 ILE HG13 2.648 . 4.489 3.202 2.121 3.688 . 0 0 "[ . 1]" 1
925 1 78 TRP H 1 80 GLU H 3.493 2.029 5.957 4.063 3.926 4.301 . 0 0 "[ . 1]" 1
926 1 70 LEU MD2 1 78 TRP H 3.223 . 5.469 2.961 2.115 3.859 . 0 0 "[ . 1]" 1
927 1 70 LEU MD1 1 78 TRP H 3.475 2.026 5.924 3.257 2.475 3.997 . 0 0 "[ . 1]" 1
928 1 78 TRP H 1 79 LYS H 2.863 . 4.847 2.640 2.560 2.750 . 0 0 "[ . 1]" 1
929 1 78 TRP HA 1 79 LYS H 3.315 . 5.633 3.506 3.465 3.530 . 0 0 "[ . 1]" 1
930 1 76 GLU HA 1 79 LYS H 3.144 . 5.330 3.270 2.849 3.475 . 0 0 "[ . 1]" 1
931 1 78 TRP HB3 1 79 LYS H 3.071 . 5.203 2.502 2.354 2.589 . 0 0 "[ . 1]" 1
932 1 79 LYS H 1 80 GLU HG3 3.153 . 5.346 4.589 4.284 5.213 . 0 0 "[ . 1]" 1
933 1 79 LYS H 1 79 LYS HB3 2.537 . 4.309 3.595 3.567 3.623 . 0 0 "[ . 1]" 1
934 1 80 GLU H 1 81 LEU H 2.463 . 4.191 2.640 2.529 2.772 . 0 0 "[ . 1]" 1
935 1 79 LYS H 1 80 GLU H 2.636 . 4.470 2.739 2.616 2.899 . 0 0 "[ . 1]" 1
936 1 80 GLU H 1 82 THR H 3.410 2.014 5.806 4.051 3.811 4.396 . 0 0 "[ . 1]" 1
937 1 77 ILE H 1 80 GLU H 3.425 2.018 5.832 4.746 4.619 4.851 . 0 0 "[ . 1]" 1
938 1 80 GLU H 1 83 ALA H 3.210 . 5.447 4.567 4.394 4.877 . 0 0 "[ . 1]" 1
939 1 78 TRP HA 1 80 GLU H 3.387 2.010 5.764 4.284 4.043 4.579 . 0 0 "[ . 1]" 1
940 1 80 GLU H 1 80 GLU HA 2.530 . 4.298 2.827 2.809 2.851 . 0 0 "[ . 1]" 1
941 1 80 GLU H 1 80 GLU HG2 2.665 . 4.517 3.236 1.919 3.558 . 0 0 "[ . 1]" 1
942 1 80 GLU H 1 80 GLU HG3 2.240 . 3.842 2.420 2.168 3.221 . 0 0 "[ . 1]" 1
943 1 80 GLU H 1 80 GLU HB3 2.341 . 3.999 3.597 3.519 3.624 . 0 0 "[ . 1]" 1
944 1 81 LEU H 1 83 ALA H 3.483 2.027 5.939 4.015 3.915 4.179 . 0 0 "[ . 1]" 1
945 1 80 GLU HA 1 81 LEU H 3.047 . 5.161 3.531 3.496 3.574 . 0 0 "[ . 1]" 1
946 1 81 LEU H 1 81 LEU HA 2.863 . 4.847 2.844 2.813 2.874 . 0 0 "[ . 1]" 1
947 1 80 GLU HG3 1 81 LEU H 3.348 2.003 5.693 4.405 3.980 4.795 . 0 0 "[ . 1]" 1
948 1 77 ILE HB 1 81 LEU H 3.520 2.033 6.007 5.693 5.444 5.909 . 0 0 "[ . 1]" 1
949 1 81 LEU H 1 81 LEU HG 2.340 . 3.997 2.657 2.235 4.011 0.014 1 0 "[ . 1]" 1
950 1 81 LEU H 1 81 LEU HB2 2.898 . 4.906 2.629 2.496 2.821 . 0 0 "[ . 1]" 1
951 1 77 ILE MG 1 81 LEU H 3.062 . 5.187 3.904 3.651 4.232 . 0 0 "[ . 1]" 1
952 1 81 LEU H 1 81 LEU MD2 2.707 . 4.587 3.034 2.185 3.326 . 0 0 "[ . 1]" 1
953 1 81 LEU H 1 82 THR H 2.788 . 4.721 2.564 2.385 2.711 . 0 0 "[ . 1]" 1
954 1 82 THR H 1 84 HIS H 3.359 2.005 5.713 3.929 3.771 4.025 . 0 0 "[ . 1]" 1
955 1 80 GLU HA 1 82 THR H 3.195 . 5.420 4.405 4.098 4.770 . 0 0 "[ . 1]" 1
956 1 81 LEU HA 1 82 THR H 3.253 . 5.523 3.500 3.458 3.547 . 0 0 "[ . 1]" 1
957 1 82 THR H 1 82 THR HB 3.078 . 5.215 2.788 2.285 3.590 . 0 0 "[ . 1]" 1
958 1 81 LEU HG 1 82 THR H 2.795 . 4.732 4.390 4.093 4.839 0.107 1 0 "[ . 1]" 1
959 1 81 LEU HB3 1 82 THR H 3.069 . 5.200 3.684 3.245 4.011 . 0 0 "[ . 1]" 1
960 1 82 THR H 1 82 THR MG 2.524 . 4.289 3.483 2.422 3.784 . 0 0 "[ . 1]" 1
961 1 82 THR H 1 83 ALA H 2.611 . 4.429 2.710 2.563 2.922 . 0 0 "[ . 1]" 1
962 1 83 ALA H 1 84 HIS H 2.530 . 4.298 2.612 2.515 2.683 . 0 0 "[ . 1]" 1
963 1 83 ALA H 1 83 ALA HA 2.553 . 4.335 2.810 2.774 2.834 . 0 0 "[ . 1]" 1
964 1 82 THR HA 1 83 ALA H 3.173 . 5.381 3.531 3.477 3.575 . 0 0 "[ . 1]" 1
965 1 82 THR HB 1 83 ALA H 3.325 . 5.652 2.765 2.265 3.762 . 0 0 "[ . 1]" 1
966 1 83 ALA H 1 83 ALA MB 2.118 . 3.656 2.238 2.198 2.273 . 0 0 "[ . 1]" 1
967 1 84 HIS H 1 86 ASP H 3.294 . 5.596 4.468 4.129 4.805 . 0 0 "[ . 1]" 1
968 1 84 HIS H 1 85 PHE H 2.542 . 4.317 2.522 2.252 2.761 . 0 0 "[ . 1]" 1
969 1 84 HIS H 1 85 PHE HA 3.480 2.027 5.933 5.129 4.899 5.329 . 0 0 "[ . 1]" 1
970 1 84 HIS H 1 84 HIS HA 2.660 . 4.509 2.867 2.814 2.913 . 0 0 "[ . 1]" 1
971 1 83 ALA HA 1 84 HIS H 2.950 . 4.994 3.437 3.378 3.468 . 0 0 "[ . 1]" 1
972 1 84 HIS H 1 84 HIS HB2 2.450 . 4.170 2.591 2.454 2.696 . 0 0 "[ . 1]" 1
973 1 84 HIS H 1 84 HIS HB3 2.454 . 4.177 2.736 2.364 3.698 . 0 0 "[ . 1]" 1
974 1 83 ALA H 1 85 PHE H 3.274 . 5.560 4.261 3.811 4.544 . 0 0 "[ . 1]" 1
975 1 85 PHE H 1 87 PRO HD2 3.480 2.027 5.933 5.649 5.164 5.951 0.018 9 0 "[ . 1]" 1
976 1 85 PHE H 1 85 PHE HB3 2.921 . 4.945 3.192 2.642 3.777 . 0 0 "[ . 1]" 1
977 1 84 HIS HB2 1 85 PHE H 2.795 . 4.732 3.768 2.690 4.148 . 0 0 "[ . 1]" 1
978 1 85 PHE H 1 85 PHE HB2 2.839 . 4.806 2.772 2.411 3.790 . 0 0 "[ . 1]" 1
979 1 85 PHE H 1 86 ASP H 2.434 . 4.145 2.560 2.259 2.840 . 0 0 "[ . 1]" 1
980 1 85 PHE QD 1 86 ASP H 3.231 . 5.484 3.663 2.816 4.318 . 0 0 "[ . 1]" 1
981 1 86 ASP H 1 86 ASP HA 2.774 . 4.698 2.895 2.787 2.951 . 0 0 "[ . 1]" 1
982 1 85 PHE HA 1 86 ASP H 3.132 . 5.309 3.582 3.553 3.610 . 0 0 "[ . 1]" 1
983 1 22 SER HA 1 32 LYS H 3.415 2.016 5.814 4.827 4.085 5.797 . 0 0 "[ . 1]" 1
984 1 82 THR HA 1 86 ASP H 2.768 . 4.687 3.050 2.432 3.650 . 0 0 "[ . 1]" 1
985 1 86 ASP H 1 87 PRO HD2 2.876 . 4.869 4.284 3.906 4.639 . 0 0 "[ . 1]" 1
986 1 86 ASP H 1 86 ASP HB3 2.613 . 4.433 3.064 2.709 3.806 . 0 0 "[ . 1]" 1
987 1 85 PHE HB2 1 86 ASP H 2.951 . 4.996 3.054 2.138 3.920 . 0 0 "[ . 1]" 1
988 1 86 ASP H 1 87 PRO HB3 3.344 2.002 5.686 5.190 4.765 5.705 0.019 4 0 "[ . 1]" 1
989 1 86 ASP H 1 87 PRO HG2 3.455 2.023 5.887 5.798 5.525 5.967 0.080 6 0 "[ . 1]" 1
990 1 88 ASP H 1 89 GLY H 2.484 . 4.224 2.356 2.129 2.701 . 0 0 "[ . 1]" 1
991 1 86 ASP HA 1 88 ASP H 3.384 2.010 5.758 3.321 3.102 3.721 . 0 0 "[ . 1]" 1
992 1 88 ASP H 1 88 ASP HA 2.713 . 4.596 2.912 2.889 2.956 . 0 0 "[ . 1]" 1
993 1 87 PRO HA 1 88 ASP H 3.202 . 5.432 3.400 3.294 3.517 . 0 0 "[ . 1]" 1
994 1 87 PRO HD2 1 88 ASP H 3.096 . 5.246 2.605 2.130 2.944 . 0 0 "[ . 1]" 1
995 1 86 ASP HB2 1 88 ASP H 3.529 2.034 6.024 4.933 4.697 5.523 . 0 0 "[ . 1]" 1
996 1 88 ASP H 1 88 ASP QB 2.359 . 4.027 2.393 2.292 2.552 . 0 0 "[ . 1]" 1
997 1 87 PRO HB2 1 88 ASP H 3.102 . 5.257 3.599 2.710 3.989 . 0 0 "[ . 1]" 1
998 1 89 GLY H 1 90 LYS H 2.872 . 4.862 3.576 2.352 4.576 . 0 0 "[ . 1]" 1
999 1 88 ASP HA 1 89 GLY H 3.092 . 5.240 3.303 2.798 3.511 . 0 0 "[ . 1]" 1
1000 1 89 GLY H 1 89 GLY HA3 2.414 . 4.114 2.465 2.261 2.872 . 0 0 "[ . 1]" 1
1001 1 88 ASP QB 1 89 GLY H 3.022 . 5.118 3.249 2.870 3.796 . 0 0 "[ . 1]" 1
1002 1 87 PRO HB2 1 89 GLY H 3.401 2.013 5.789 5.182 4.726 5.657 . 0 0 "[ . 1]" 1
1003 1 89 GLY HA2 1 90 LYS H 3.448 2.021 5.875 2.775 2.131 3.479 . 0 0 "[ . 1]" 1
1004 1 89 GLY HA3 1 90 LYS H 3.513 2.032 5.994 2.819 2.169 3.507 . 0 0 "[ . 1]" 1
1005 1 90 LYS H 1 90 LYS HD3 3.353 2.004 5.702 4.229 3.529 4.657 . 0 0 "[ . 1]" 1
1006 1 90 LYS H 1 91 TRP H 3.129 . 5.304 2.543 2.386 2.682 . 0 0 "[ . 1]" 1
1007 1 91 TRP H 1 92 ARG H 2.935 . 4.969 3.300 2.659 3.819 . 0 0 "[ . 1]" 1
1008 1 90 LYS HA 1 91 TRP H 3.392 2.011 5.773 3.405 3.301 3.516 . 0 0 "[ . 1]" 1
1009 1 91 TRP H 1 91 TRP QB 2.973 . 5.034 2.825 2.325 3.388 . 0 0 "[ . 1]" 1
1010 1 91 TRP H 1 93 LYS QB 3.522 2.033 6.011 4.909 3.858 6.118 0.107 1 0 "[ . 1]" 1
1011 1 90 LYS HD3 1 91 TRP H 3.366 2.007 5.725 5.200 4.663 5.748 0.023 2 0 "[ . 1]" 1
1012 1 90 LYS HB2 1 91 TRP H 3.287 . 5.583 3.499 1.967 4.213 0.024 10 0 "[ . 1]" 1
1013 1 90 LYS HG3 1 91 TRP H 3.458 2.023 5.893 4.333 2.949 5.614 . 0 0 "[ . 1]" 1
1014 1 92 ARG H 1 92 ARG QD 3.436 2.019 5.853 3.631 2.201 4.507 . 0 0 "[ . 1]" 1
1015 1 92 ARG H 1 93 LYS H 3.048 . 5.163 2.656 2.421 2.847 . 0 0 "[ . 1]" 1
1016 1 93 LYS H 1 93 LYS HA 2.627 . 4.455 2.808 2.748 2.841 . 0 0 "[ . 1]" 1
1017 1 90 LYS HA 1 93 LYS H 3.493 2.029 5.957 4.675 3.896 5.311 . 0 0 "[ . 1]" 1
1018 1 92 ARG QB 1 93 LYS H 2.771 . 4.692 2.888 2.283 3.506 . 0 0 "[ . 1]" 1
1019 1 93 LYS H 1 93 LYS QB 2.073 . 3.589 2.251 2.174 2.344 . 0 0 "[ . 1]" 1
1020 1 91 TRP H 1 93 LYS H 3.362 2.006 5.718 4.418 3.811 5.012 . 0 0 "[ . 1]" 1
1021 1 94 LYS H 1 96 GLU H 3.422 2.017 5.827 4.126 3.734 4.425 . 0 0 "[ . 1]" 1
1022 1 92 ARG H 1 94 LYS H 3.395 2.012 5.778 4.107 3.780 4.594 . 0 0 "[ . 1]" 1
1023 1 94 LYS H 1 95 TYR H 2.655 . 4.501 2.492 2.259 2.645 . 0 0 "[ . 1]" 1
1024 1 93 LYS H 1 94 LYS H 2.531 . 4.300 2.623 2.378 2.972 . 0 0 "[ . 1]" 1
1025 1 91 TRP HA 1 94 LYS H 2.963 . 5.016 3.486 2.597 4.275 . 0 0 "[ . 1]" 1
1026 1 94 LYS H 1 94 LYS HA 2.521 . 4.284 2.838 2.801 2.873 . 0 0 "[ . 1]" 1
1027 1 94 LYS H 1 94 LYS QB 2.318 . 3.963 2.402 2.168 2.548 . 0 0 "[ . 1]" 1
1028 1 93 LYS QB 1 94 LYS H 2.376 . 4.054 2.695 2.203 3.024 . 0 0 "[ . 1]" 1
1029 1 94 LYS H 1 94 LYS HD3 2.889 . 4.891 4.638 4.134 4.906 0.015 4 0 "[ . 1]" 1
1030 1 94 LYS H 1 94 LYS HD2 2.710 . 4.591 4.172 3.450 4.649 0.058 7 0 "[ . 1]" 1
1031 1 95 TYR HA 1 96 GLU H 3.386 2.011 5.761 3.534 3.429 3.595 . 0 0 "[ . 1]" 1
1032 1 96 GLU H 1 97 ASP HB3 3.508 2.031 5.985 4.735 4.591 4.958 . 0 0 "[ . 1]" 1
1033 1 96 GLU H 1 96 GLU QG 2.816 . 4.768 2.906 2.036 3.965 . 0 0 "[ . 1]" 1
1034 1 96 GLU H 1 96 GLU QB 3.064 . 5.191 2.347 2.097 2.653 . 0 0 "[ . 1]" 1
1035 1 96 GLU H 1 106 ILE MD 3.522 2.033 6.011 5.176 4.585 5.947 . 0 0 "[ . 1]" 1
1036 1 71 ILE MD 1 99 ALA H 3.242 . 5.503 4.265 3.186 5.221 . 0 0 "[ . 1]" 1
1037 1 99 ALA H 1 100 LYS H 2.518 . 4.279 2.712 2.626 2.980 . 0 0 "[ . 1]" 1
1038 1 98 ARG H 1 99 ALA H 2.535 . 4.306 2.688 2.548 2.822 . 0 0 "[ . 1]" 1
1039 1 98 ARG HA 1 99 ALA H 2.880 . 4.876 3.531 3.451 3.579 . 0 0 "[ . 1]" 1
1040 1 99 ALA H 1 99 ALA HA 2.564 . 4.353 2.814 2.742 2.851 . 0 0 "[ . 1]" 1
1041 1 99 ALA H 1 99 ALA MB 2.185 . 3.758 2.215 2.167 2.244 . 0 0 "[ . 1]" 1
1042 1 98 ARG H 1 100 LYS H 3.508 2.031 5.985 4.354 4.247 4.561 . 0 0 "[ . 1]" 1
1043 1 100 LYS H 1 100 LYS HA 2.653 . 4.497 2.825 2.764 2.862 . 0 0 "[ . 1]" 1
1044 1 25 ASP H 1 31 GLY HA2 3.425 2.018 5.832 5.110 4.700 5.566 . 0 0 "[ . 1]" 1
1045 1 99 ALA HA 1 100 LYS H 3.076 . 5.211 3.566 3.531 3.588 . 0 0 "[ . 1]" 1
1046 1 25 ASP H 1 31 GLY HA3 3.519 2.033 6.005 3.859 3.370 4.394 . 0 0 "[ . 1]" 1
1047 1 100 LYS H 1 100 LYS HD2 2.627 . 4.455 4.019 3.363 4.503 0.048 1 0 "[ . 1]" 1
1048 1 100 LYS H 1 100 LYS QG 2.768 . 4.687 3.166 2.219 4.113 . 0 0 "[ . 1]" 1
1049 1 99 ALA MB 1 100 LYS H 2.493 . 4.239 2.402 2.299 2.486 . 0 0 "[ . 1]" 1
1050 1 100 LYS H 1 101 ALA H 2.374 . 4.050 2.609 2.527 2.732 . 0 0 "[ . 1]" 1
1051 1 98 ARG H 1 101 ALA H 3.505 2.031 5.979 4.795 4.682 4.893 . 0 0 "[ . 1]" 1
1052 1 101 ALA H 1 102 LYS H 2.264 . 3.879 2.571 2.316 2.688 . 0 0 "[ . 1]" 1
1053 1 98 ARG HA 1 101 ALA H 2.694 . 4.565 3.752 3.297 4.321 . 0 0 "[ . 1]" 1
1054 1 99 ALA HA 1 101 ALA H 3.028 . 5.128 4.393 4.205 4.497 . 0 0 "[ . 1]" 1
1055 1 100 LYS H 1 102 LYS H 3.402 2.013 5.791 4.189 4.056 4.286 . 0 0 "[ . 1]" 1
1056 1 102 LYS H 1 103 GLY H 2.254 . 3.863 2.323 2.135 2.649 . 0 0 "[ . 1]" 1
1057 1 102 LYS H 1 102 LYS HA 2.411 . 4.108 2.898 2.804 2.943 . 0 0 "[ . 1]" 1
1058 1 101 ALA HA 1 102 LYS H 2.638 . 4.473 3.482 3.372 3.556 . 0 0 "[ . 1]" 1
1059 1 99 ALA HA 1 102 LYS H 3.001 . 5.082 3.797 3.603 3.985 . 0 0 "[ . 1]" 1
1060 1 102 LYS H 1 102 LYS HE2 3.450 2.022 5.878 4.809 3.164 5.806 . 0 0 "[ . 1]" 1
1061 1 102 LYS H 1 102 LYS HB3 2.375 . 4.052 3.640 3.484 3.680 . 0 0 "[ . 1]" 1
1062 1 102 LYS H 1 102 LYS HG3 2.235 . 3.835 3.703 2.558 3.907 0.072 8 0 "[ . 1]" 1
1063 1 102 LYS H 1 104 ILE HG12 3.025 . 5.123 4.187 3.596 4.678 . 0 0 "[ . 1]" 1
1064 1 101 ALA H 1 103 GLY H 2.889 . 4.891 3.934 3.677 4.239 . 0 0 "[ . 1]" 1
1065 1 103 GLY H 1 104 ILE H 2.052 . 3.558 2.114 1.819 2.343 . 0 0 "[ . 1]" 1
1066 1 103 GLY H 1 103 GLY HA2 2.300 . 3.935 2.420 2.320 2.536 . 0 0 "[ . 1]" 1
1067 1 103 GLY H 1 104 ILE HA 3.272 . 5.556 4.781 4.515 5.007 . 0 0 "[ . 1]" 1
1068 1 102 LYS HB3 1 103 GLY H 3.061 . 5.185 3.967 3.561 4.342 . 0 0 "[ . 1]" 1
1069 1 102 LYS HB2 1 103 GLY H 2.855 . 4.833 3.097 2.617 3.669 . 0 0 "[ . 1]" 1
1070 1 102 LYS HG3 1 103 GLY H 3.063 . 5.189 5.117 4.537 5.297 0.108 4 0 "[ . 1]" 1
1071 1 103 GLY H 1 104 ILE HG12 3.095 . 5.245 3.638 3.404 4.041 . 0 0 "[ . 1]" 1
1072 1 104 ILE H 1 105 VAL H 3.250 . 5.517 4.391 4.253 4.537 . 0 0 "[ . 1]" 1
1073 1 101 ALA H 1 104 ILE H 3.256 . 5.528 4.949 4.727 5.103 . 0 0 "[ . 1]" 1
1074 1 103 GLY HA2 1 104 ILE H 2.954 . 5.001 2.956 2.697 3.193 . 0 0 "[ . 1]" 1
1075 1 99 ALA HA 1 104 ILE H 3.197 . 5.423 3.756 3.368 4.620 . 0 0 "[ . 1]" 1
1076 1 104 ILE H 1 105 VAL HA 3.478 2.026 5.930 4.976 4.812 5.244 . 0 0 "[ . 1]" 1
1077 1 104 ILE H 1 104 ILE HA 2.828 . 4.788 2.891 2.851 2.932 . 0 0 "[ . 1]" 1
1078 1 103 GLY HA3 1 104 ILE H 2.926 . 4.953 3.452 3.317 3.530 . 0 0 "[ . 1]" 1
1079 1 102 LYS HB3 1 104 ILE H 3.291 . 5.591 4.613 4.079 5.245 . 0 0 "[ . 1]" 1
1080 1 104 ILE H 1 104 ILE HB 2.185 . 3.758 2.488 2.394 2.554 . 0 0 "[ . 1]" 1
1081 1 105 VAL H 1 105 VAL HA 2.401 . 4.093 2.858 2.803 2.896 . 0 0 "[ . 1]" 1
1082 1 104 ILE HA 1 105 VAL H 2.063 . 3.574 2.153 2.079 2.253 . 0 0 "[ . 1]" 1
1083 1 105 VAL H 1 105 VAL HB 2.188 . 3.762 3.146 2.680 3.688 . 0 0 "[ . 1]" 1
1084 1 104 ILE MG 1 105 VAL H 2.356 . 4.022 2.799 2.567 3.014 . 0 0 "[ . 1]" 1
1085 1 105 VAL H 1 106 ILE H 2.894 . 4.899 4.296 4.106 4.501 . 0 0 "[ . 1]" 1
1086 1 106 ILE H 1 106 ILE HA 2.645 . 4.485 2.912 2.892 2.926 . 0 0 "[ . 1]" 1
1087 1 105 VAL HA 1 106 ILE H 1.998 . 3.477 2.080 1.966 2.164 . 0 0 "[ . 1]" 1
1088 1 100 LYS QE 1 106 ILE H 3.217 . 5.459 4.433 3.083 5.471 0.012 10 0 "[ . 1]" 1
1089 1 106 ILE H 1 106 ILE HG12 2.557 . 4.341 2.931 2.303 3.289 . 0 0 "[ . 1]" 1
1090 1 106 ILE H 1 106 ILE MG 2.368 . 4.041 2.965 2.750 3.106 . 0 0 "[ . 1]" 1
1091 1 106 ILE H 1 108 GLU H 3.529 2.034 6.024 5.233 4.910 6.052 0.028 1 0 "[ . 1]" 1
1092 1 107 PRO HA 1 108 GLU H 1.821 . 3.219 2.158 2.041 2.208 . 0 0 "[ . 1]" 1
1093 1 108 GLU H 1 108 GLU QG 2.231 . 3.828 2.344 1.953 3.969 0.141 8 0 "[ . 1]" 1
1094 1 108 GLU H 1 108 GLU HB3 2.192 . 3.769 3.115 2.773 3.618 . 0 0 "[ . 1]" 1
1095 1 16 ASN HA 1 18 ARG HE 3.403 2.013 5.793 4.500 3.785 5.667 . 0 0 "[ . 1]" 1
1096 1 91 TRP HA 1 92 ARG HE 3.367 2.006 5.728 5.716 5.504 5.858 0.130 5 0 "[ . 1]" 1
1097 1 9 ASN HD22 1 10 LEU H 3.367 2.006 5.728 4.815 3.998 5.418 . 0 0 "[ . 1]" 1
1098 1 16 ASN HA 1 73 ASN HD22 3.181 . 5.395 3.791 2.570 4.802 . 0 0 "[ . 1]" 1
1099 1 9 ASN HA 1 9 ASN HD22 3.222 . 5.467 4.956 4.824 5.032 . 0 0 "[ . 1]" 1
1100 1 7 LYS HA 1 9 ASN HD22 3.467 2.025 5.909 5.262 3.874 5.950 0.041 3 0 "[ . 1]" 1
1101 1 9 ASN HB2 1 9 ASN HD21 2.851 . 4.827 2.935 2.073 3.721 . 0 0 "[ . 1]" 1
1102 1 16 ASN HA 1 73 ASN HD21 3.088 . 5.232 4.027 2.797 5.281 0.049 9 0 "[ . 1]" 1
1103 1 9 ASN HA 1 9 ASN HD21 3.359 2.005 5.713 3.790 3.663 3.914 . 0 0 "[ . 1]" 1
1104 1 15 GLU QG 1 73 ASN HD21 3.357 2.005 5.709 4.943 3.920 5.601 . 0 0 "[ . 1]" 1
1105 1 9 ASN HD21 1 41 LYS HG3 3.480 2.027 5.933 5.796 5.054 6.069 0.136 5 0 "[ . 1]" 1
1106 1 9 ASN HD21 1 10 LEU MD2 3.475 2.026 5.924 4.349 3.066 5.311 . 0 0 "[ . 1]" 1
1107 1 16 ASN HB2 1 16 ASN HD21 3.052 . 5.170 2.195 2.142 2.246 . 0 0 "[ . 1]" 1
1108 1 16 ASN HB3 1 16 ASN HD21 2.839 . 4.806 3.433 3.390 3.480 . 0 0 "[ . 1]" 1
1109 1 16 ASN HD22 1 19 LEU HB2 3.462 2.023 5.901 5.082 4.673 5.564 . 0 0 "[ . 1]" 1
1110 1 16 ASN HA 1 16 ASN HD21 3.277 . 5.566 3.967 3.824 4.070 . 0 0 "[ . 1]" 1
1111 1 16 ASN HD21 1 19 LEU HB3 3.398 2.013 5.783 4.545 4.254 4.858 . 0 0 "[ . 1]" 1
1112 1 16 ASN HD21 1 19 LEU HB2 3.496 2.029 5.963 3.453 3.059 3.886 . 0 0 "[ . 1]" 1
1113 1 20 LEU MD1 1 73 ASN HD21 3.429 2.018 5.840 4.935 3.553 5.453 . 0 0 "[ . 1]" 1
1114 1 16 ASN HD21 1 19 LEU MD2 3.177 . 5.389 4.207 3.181 4.798 . 0 0 "[ . 1]" 1
1115 1 20 LEU MD1 1 73 ASN HD22 3.488 2.028 5.948 5.606 3.903 6.014 0.066 2 0 "[ . 1]" 1
1116 1 9 ASN HD21 1 23 TYR HB3 3.455 2.023 5.887 4.025 3.518 4.943 . 0 0 "[ . 1]" 1
1117 1 73 ASN QB 1 73 ASN HD22 3.510 2.032 5.988 3.264 3.210 3.324 . 0 0 "[ . 1]" 1
1118 1 11 GLN HB3 1 11 GLN HE22 3.436 2.019 5.853 4.777 4.342 5.076 . 0 0 "[ . 1]" 1
1119 1 11 GLN HB2 1 11 GLN HE22 3.396 2.012 5.780 3.960 3.478 5.110 . 0 0 "[ . 1]" 1
1120 1 11 GLN HE22 1 14 LEU MD2 3.395 2.012 5.778 2.080 1.917 2.753 0.095 9 0 "[ . 1]" 1
1121 1 11 GLN HE21 1 70 LEU H 3.459 2.023 5.895 5.855 5.473 6.039 0.144 8 0 "[ . 1]" 1
1122 1 11 GLN HE22 1 45 GLN HE22 3.430 2.018 5.842 5.669 4.227 5.956 0.114 4 0 "[ . 1]" 1
1123 1 11 GLN HE21 1 45 GLN HE22 3.520 2.033 6.007 5.159 4.686 5.577 . 0 0 "[ . 1]" 1
1124 1 11 GLN HE21 1 66 SER H 3.524 2.034 6.014 4.470 4.062 4.897 . 0 0 "[ . 1]" 1
1125 1 11 GLN HA 1 11 GLN HE21 3.362 2.006 5.718 2.150 1.880 2.544 0.126 6 0 "[ . 1]" 1
1126 1 11 GLN HA 1 11 GLN HE22 3.444 2.021 5.867 3.245 2.959 3.500 . 0 0 "[ . 1]" 1
1127 1 10 LEU HB3 1 11 GLN HE21 3.282 . 5.575 4.410 3.396 5.067 . 0 0 "[ . 1]" 1
1128 1 10 LEU H 1 45 GLN HE22 3.459 2.023 5.895 5.865 5.616 6.049 0.154 9 0 "[ . 1]" 1
1129 1 11 GLN H 1 45 GLN HE22 3.495 2.029 5.961 5.641 5.298 6.004 0.043 3 0 "[ . 1]" 1
1130 1 14 LEU H 1 45 GLN HE21 3.298 . 5.603 5.670 5.633 5.730 0.127 8 0 "[ . 1]" 1
1131 1 11 GLN HE21 1 45 GLN HE21 3.512 2.032 5.992 5.806 5.141 6.089 0.097 6 0 "[ . 1]" 1
1132 1 55 CYS HA 1 59 GLN HE21 3.480 2.027 5.933 5.661 4.483 6.027 0.094 8 0 "[ . 1]" 1
1133 1 55 CYS HB3 1 59 GLN HE21 3.540 2.036 6.044 3.712 2.303 4.245 . 0 0 "[ . 1]" 1
1134 1 59 GLN HE21 1 59 GLN HG3 2.912 . 4.929 3.515 3.492 3.548 . 0 0 "[ . 1]" 1
1135 1 59 GLN HB2 1 59 GLN HE21 3.461 2.024 5.898 2.954 2.611 3.680 . 0 0 "[ . 1]" 1
1136 1 9 ASN HD21 1 13 ILE HG12 3.450 2.022 5.878 3.118 2.244 4.617 . 0 0 "[ . 1]" 1
1137 1 52 CYS HB3 1 59 GLN HE22 3.332 . 5.665 3.475 2.376 5.674 0.009 4 0 "[ . 1]" 1
1138 1 54 LYS H 1 55 CYS HA 3.546 2.037 6.055 4.859 4.558 5.154 . 0 0 "[ . 1]" 1
1139 1 90 LYS H 1 90 LYS HG3 3.538 2.036 6.040 4.065 2.905 4.526 . 0 0 "[ . 1]" 1
1140 1 95 TYR QB 1 96 GLU H 3.026 . 5.125 2.423 2.210 2.932 . 0 0 "[ . 1]" 1
1141 1 40 LEU HB2 1 41 LYS H 2.719 . 4.606 3.907 3.778 4.019 . 0 0 "[ . 1]" 1
1142 1 87 PRO HG3 1 88 ASP H 2.802 . 4.744 4.346 4.101 4.472 . 0 0 "[ . 1]" 1
1143 1 56 THR H 1 58 ALA H 3.557 2.039 6.075 5.055 4.758 5.607 . 0 0 "[ . 1]" 1
1144 1 77 ILE H 1 79 LYS H 3.569 2.041 6.097 4.046 3.887 4.142 . 0 0 "[ . 1]" 1
1145 1 75 LEU HA 1 79 LYS H 3.328 . 5.657 4.431 4.079 4.701 . 0 0 "[ . 1]" 1
1146 1 28 LEU HA 1 30 LYS H 3.572 2.041 6.103 5.513 5.096 6.230 0.127 6 0 "[ . 1]" 1
1147 1 48 LEU H 1 67 ILE HG13 3.319 . 5.641 5.062 4.880 5.510 . 0 0 "[ . 1]" 1
1148 1 20 LEU HB2 1 21 GLU H 2.450 . 4.170 2.816 2.452 3.565 . 0 0 "[ . 1]" 1
1149 1 24 MET HA 1 25 ASP H 3.132 . 5.310 3.403 3.354 3.446 . 0 0 "[ . 1]" 1
1150 1 25 ASP H 1 30 LYS HG3 3.088 . 5.232 5.140 4.840 5.256 0.024 5 0 "[ . 1]" 1
1151 1 58 ALA H 1 60 GLU HG3 3.119 . 5.287 5.175 4.659 5.328 0.041 10 0 "[ . 1]" 1
1152 1 86 ASP H 1 87 PRO HA 3.201 . 5.431 4.378 4.183 4.640 . 0 0 "[ . 1]" 1
1153 1 83 ALA HA 1 86 ASP H 3.260 . 5.535 4.561 3.818 5.354 . 0 0 "[ . 1]" 1
1154 1 68 ASP HA 1 71 ILE H 3.382 2.010 5.754 4.289 4.154 4.511 . 0 0 "[ . 1]" 1
1155 1 70 LEU HA 1 71 ILE H 3.290 . 5.589 3.568 3.555 3.594 . 0 0 "[ . 1]" 1
1156 1 67 ILE HA 1 71 ILE H 3.298 . 5.603 3.672 3.325 3.886 . 0 0 "[ . 1]" 1
1157 1 71 ILE H 1 71 ILE HA 2.949 . 4.993 2.832 2.815 2.854 . 0 0 "[ . 1]" 1
1158 1 74 GLU H 1 77 ILE H 3.569 2.041 6.097 5.730 5.457 6.025 . 0 0 "[ . 1]" 1
1159 1 100 LYS HD3 1 108 GLU H 3.574 2.041 6.107 5.634 4.800 6.131 0.024 2 0 "[ . 1]" 1
1160 1 4 LYS H 1 7 LYS H 2.370 . 4.044 3.953 3.398 4.199 0.155 3 0 "[ . 1]" 1
1161 1 7 LYS H 1 7 LYS QB 2.716 . 4.601 2.916 2.506 3.093 . 0 0 "[ . 1]" 1
1162 1 16 ASN H 1 16 ASN HD22 3.510 2.032 5.988 4.438 4.148 4.786 . 0 0 "[ . 1]" 1
1163 1 16 ASN H 1 19 LEU HB2 2.889 . 4.891 3.152 2.740 3.560 . 0 0 "[ . 1]" 1
1164 1 93 LYS HA 1 94 LYS H 2.912 . 4.929 3.499 3.457 3.534 . 0 0 "[ . 1]" 1
1165 1 37 GLY HA3 1 39 GLU H 3.403 2.013 5.793 4.597 4.404 4.870 . 0 0 "[ . 1]" 1
1166 1 13 ILE H 1 13 ILE MD 2.699 . 4.573 3.545 3.037 3.904 . 0 0 "[ . 1]" 1
1167 1 69 TYR H 1 71 ILE H 3.264 . 5.543 4.392 4.245 4.534 . 0 0 "[ . 1]" 1
1168 1 98 ARG HA 1 102 LYS H 3.184 . 5.401 4.382 3.772 4.988 . 0 0 "[ . 1]" 1
1169 1 11 GLN HB2 1 12 GLU H 2.636 . 4.470 3.821 3.120 4.219 . 0 0 "[ . 1]" 1
1170 1 37 GLY H 1 38 LYS H 2.903 . 4.914 2.568 2.408 2.655 . 0 0 "[ . 1]" 1
1171 1 61 LYS HA 1 63 ALA H 3.026 . 5.125 4.314 4.088 4.597 . 0 0 "[ . 1]" 1
1172 1 10 LEU H 1 11 GLN HB3 3.462 2.023 5.901 5.170 4.002 5.985 0.084 3 0 "[ . 1]" 1
1173 1 6 ASP H 1 7 LYS HA 3.031 . 5.133 5.087 4.526 5.294 0.161 9 0 "[ . 1]" 1
1174 1 5 TYR HB3 1 6 ASP H 3.166 . 5.369 4.326 3.924 4.641 . 0 0 "[ . 1]" 1
1175 1 5 TYR H 1 5 TYR HA 2.736 . 4.635 2.170 2.094 2.238 . 0 0 "[ . 1]" 1
1176 1 61 LYS H 1 63 ALA H 2.707 . 4.587 4.016 3.780 4.196 . 0 0 "[ . 1]" 1
1177 1 59 GLN H 1 61 LYS H 3.270 . 5.553 4.245 4.047 4.587 . 0 0 "[ . 1]" 1
1178 1 98 ARG HB2 1 99 ALA H 2.839 . 4.806 2.749 2.297 3.201 . 0 0 "[ . 1]" 1
1179 1 98 ARG HB3 1 99 ALA H 2.705 . 4.583 3.594 3.259 3.900 . 0 0 "[ . 1]" 1
1180 1 76 GLU HA 1 77 ILE H 2.774 . 4.698 3.464 3.386 3.523 . 0 0 "[ . 1]" 1
1181 1 21 GLU HA 1 22 SER H 2.613 . 4.433 3.513 3.471 3.544 . 0 0 "[ . 1]" 1
1182 1 81 LEU HA 1 84 HIS H 2.961 . 5.013 3.224 2.818 3.481 . 0 0 "[ . 1]" 1
1183 1 31 GLY H 1 31 GLY HA2 2.327 . 3.977 2.914 2.876 2.963 . 0 0 "[ . 1]" 1
1184 1 5 TYR HB2 1 5 TYR HD1 3.271 . 5.555 2.944 2.345 3.693 . 0 0 "[ . 1]" 1
1185 1 69 TYR HB2 1 69 TYR HD1 3.231 . 5.484 3.318 2.393 3.742 . 0 0 "[ . 1]" 1
1186 1 14 LEU MD2 1 69 TYR HD1 3.529 2.035 5.919 4.518 3.986 5.576 . 0 0 "[ . 1]" 1
1187 1 95 TYR HA 1 95 TYR HD1 3.488 2.028 5.948 2.923 2.275 4.194 . 0 0 "[ . 1]" 1
1188 1 13 ILE HA 1 23 TYR HB3 3.383 2.010 5.756 5.784 5.660 5.825 0.069 6 0 "[ . 1]" 1
1189 1 13 ILE MD 1 23 TYR HB3 3.306 . 5.618 3.059 2.300 3.509 . 0 0 "[ . 1]" 1
1190 1 12 GLU HB3 1 19 LEU MD1 2.913 . 4.931 4.246 3.476 5.026 0.095 1 0 "[ . 1]" 1
1191 1 46 GLU QG 1 52 CYS HA 3.300 . 5.607 5.419 4.430 5.724 0.117 5 0 "[ . 1]" 1
1192 1 11 GLN HA 1 65 THR MG 2.899 . 4.908 4.092 3.219 4.955 0.047 10 0 "[ . 1]" 1
1193 1 71 ILE MG 1 106 ILE MD 2.266 . 3.859 3.713 2.777 3.894 0.035 6 0 "[ . 1]" 1
1194 1 71 ILE MD 1 95 TYR QB 3.002 . 4.593 4.355 3.585 4.668 0.075 2 0 "[ . 1]" 1
1195 1 72 LYS QB 1 104 ILE MD 3.718 2.059 5.307 3.150 2.031 4.566 0.028 7 0 "[ . 1]" 1
1196 1 99 ALA MB 1 104 ILE MG 2.564 . 4.157 2.630 2.385 2.765 . 0 0 "[ . 1]" 1
1197 1 72 LYS HG2 1 104 ILE HG13 3.318 . 5.639 5.348 4.998 5.695 0.056 3 0 "[ . 1]" 1
1198 1 99 ALA HA 1 104 ILE MD 2.660 . 4.509 4.375 3.767 4.535 0.026 7 0 "[ . 1]" 1
1199 1 13 ILE MG 1 20 LEU MD2 2.354 . 4.019 3.556 1.803 4.104 0.085 2 0 "[ . 1]" 1
1200 1 13 ILE HA 1 19 LEU MD1 2.718 . 4.605 2.899 2.479 3.664 . 0 0 "[ . 1]" 1
1201 1 71 ILE HA 1 78 TRP HB2 3.416 2.016 5.816 4.231 3.918 4.681 . 0 0 "[ . 1]" 1
1202 1 71 ILE MG 1 104 ILE MD 3.047 . 5.161 4.188 3.794 4.755 . 0 0 "[ . 1]" 1
1203 1 49 GLU HG3 1 85 PHE HB3 3.292 . 5.593 4.443 2.888 5.390 . 0 0 "[ . 1]" 1
1204 1 6 ASP H 1 23 TYR HB3 2.982 . 5.049 4.853 4.155 5.114 0.065 4 0 "[ . 1]" 1
1205 1 7 LYS H 1 23 TYR HB3 3.209 . 5.445 5.652 5.530 5.733 0.288 6 0 "[ . 1]" 1
1206 1 12 GLU H 1 19 LEU MD1 3.542 2.036 6.048 5.800 5.553 6.082 0.034 7 0 "[ . 1]" 1
1207 1 47 ALA HA 1 52 CYS H 3.112 . 5.274 2.074 1.887 2.372 0.063 7 0 "[ . 1]" 1
1208 1 46 GLU HA 1 52 CYS H 3.552 2.038 6.066 5.483 4.420 6.131 0.065 4 0 "[ . 1]" 1
1209 1 27 VAL MG2 1 41 LYS H 3.364 2.006 5.722 5.597 5.347 5.751 0.029 7 0 "[ . 1]" 1
1210 1 99 ALA H 1 104 ILE MG 3.879 . 5.479 5.501 5.458 5.544 0.065 5 0 "[ . 1]" 1
1211 1 13 ILE HA 1 19 LEU QD 2.710 . 4.310 2.829 2.441 3.473 . 0 0 "[ . 1]" 1
1212 1 13 ILE MD 1 20 LEU QD 2.556 . 4.156 4.243 4.074 4.335 0.179 2 0 "[ . 1]" 1
1213 1 13 ILE MG 1 20 LEU QD 2.347 . 3.947 1.999 1.801 2.233 . 0 0 "[ . 1]" 1
1214 1 20 LEU QD 1 70 LEU QD 1.886 . 3.486 3.087 2.585 3.509 0.023 5 0 "[ . 1]" 1
1215 1 28 LEU QD 1 81 LEU QD 2.594 . 4.194 4.210 4.089 4.268 0.074 5 0 "[ . 1]" 1
1216 1 33 CYS QB 1 38 LYS QB 3.323 . 4.923 4.415 4.131 4.740 . 0 0 "[ . 1]" 1
1217 1 47 ALA MB 1 63 ALA MB 2.478 . 4.065 2.042 1.797 2.333 . 0 0 "[ . 1]" 1
1218 1 47 ALA MB 1 67 ILE MD 2.889 . 4.481 4.508 4.442 4.563 0.082 10 0 "[ . 1]" 1
1219 1 14 LEU QD 1 65 THR HA 3.110 . 4.710 4.834 4.735 4.925 0.215 4 0 "[ . 1]" 1
1220 1 10 LEU QD 1 65 THR MG 3.050 . 4.650 4.353 3.689 4.757 0.107 7 0 "[ . 1]" 1
1221 1 68 ASP QB 1 104 ILE MD 2.797 . 4.397 2.951 2.367 3.258 . 0 0 "[ . 1]" 1
1222 1 14 LEU QD 1 69 TYR QD 3.304 . 4.769 3.512 2.818 3.817 . 0 0 "[ . 1]" 1
1223 1 71 ILE MD 1 106 ILE MG 3.014 . 4.614 3.952 2.972 4.593 . 0 0 "[ . 1]" 1
1224 1 20 LEU QD 1 74 GLU QG 3.108 . 4.708 2.657 1.969 4.573 . 0 0 "[ . 1]" 1
1225 1 71 ILE HA 1 78 TRP QB 3.406 . 5.006 3.963 3.704 4.394 . 0 0 "[ . 1]" 1
1226 1 49 GLU QG 1 85 PHE QB 3.282 . 4.882 3.369 2.169 4.630 . 0 0 "[ . 1]" 1
1227 1 20 LEU QD 1 69 TYR QD 3.163 . 4.763 4.775 4.604 4.904 0.141 8 0 "[ . 1]" 1
1228 1 23 TYR QE 1 40 LEU QD 2.718 . 4.318 4.480 4.381 4.571 0.253 5 0 "[ . 1]" 1
1229 1 23 TYR QE 1 44 LEU QD 2.678 . 4.278 4.353 4.243 4.437 0.159 4 0 "[ . 1]" 1
1230 1 17 LYS HA 1 17 LYS HB3 2.923 . 4.948 2.187 2.122 2.260 . 0 0 "[ . 1]" 1
1231 1 17 LYS HB2 1 17 LYS HG2 2.202 . 3.784 2.178 2.118 2.223 . 0 0 "[ . 1]" 1
1232 1 12 GLU HA 1 12 GLU QB 2.639 . 4.474 2.157 2.030 2.325 . 0 0 "[ . 1]" 1
1233 1 38 LYS HA 1 41 LYS H 3.212 . 5.450 3.531 3.275 3.791 . 0 0 "[ . 1]" 1
1234 1 45 GLN QB 1 66 SER QB 3.192 . 5.415 4.803 4.363 5.383 . 0 0 "[ . 1]" 1
1235 1 18 ARG H 1 21 GLU HB3 3.034 . 5.139 5.068 4.601 5.196 0.057 4 0 "[ . 1]" 1
1236 1 39 GLU HA 1 39 GLU HG3 2.457 . 4.182 2.759 2.233 3.112 . 0 0 "[ . 1]" 1
1237 1 101 ALA HA 1 102 LYS HA 3.006 . 5.090 4.255 4.157 4.340 . 0 0 "[ . 1]" 1
1238 1 24 MET HA 1 30 LYS HG3 2.932 . 4.963 3.440 2.425 3.758 . 0 0 "[ . 1]" 1
1239 1 30 LYS HB3 1 30 LYS HG3 2.300 . 3.935 2.351 2.230 2.649 . 0 0 "[ . 1]" 1
1240 1 7 LYS QD 1 7 LYS QE 1.953 . 3.411 1.817 1.787 1.864 . 0 0 "[ . 1]" 1
1241 1 32 LYS QE 1 32 LYS QG 2.123 . 3.664 2.068 1.972 2.308 . 0 0 "[ . 1]" 1
1242 1 7 LYS QG 1 8 ILE MG 2.661 . 4.511 2.365 1.912 3.158 . 0 0 "[ . 1]" 1
1243 1 8 ILE HB 1 9 ASN H 3.119 . 5.287 3.603 3.515 3.650 . 0 0 "[ . 1]" 1
1244 1 8 ILE MD 1 8 ILE HG12 2.666 . 4.519 1.966 1.946 1.984 . 0 0 "[ . 1]" 1
1245 1 10 LEU HA 1 10 LEU HB3 2.858 . 4.838 2.306 2.170 2.360 . 0 0 "[ . 1]" 1
1246 1 10 LEU HB3 1 44 LEU HB2 3.588 2.043 6.133 5.994 5.450 6.155 0.022 7 0 "[ . 1]" 1
1247 1 10 LEU MD1 1 40 LEU HB3 2.989 . 5.061 4.606 3.918 5.146 0.085 7 0 "[ . 1]" 1
1248 1 11 GLN QG 1 69 TYR HB2 3.406 2.014 5.798 3.301 2.987 3.550 . 0 0 "[ . 1]" 1
1249 1 4 LYS QE 1 12 GLU HB3 3.167 . 5.370 3.630 2.526 5.162 . 0 0 "[ . 1]" 1
1250 1 13 ILE HA 1 16 ASN H 2.994 . 5.070 3.769 3.530 3.978 . 0 0 "[ . 1]" 1
1251 1 8 ILE H 1 40 LEU MD2 3.491 2.028 5.954 3.250 2.806 3.663 . 0 0 "[ . 1]" 1
1252 1 18 ARG HA 1 21 GLU HB3 2.800 . 4.740 3.107 2.692 3.470 . 0 0 "[ . 1]" 1
1253 1 70 LEU MD2 1 70 LEU HG 3.101 . 5.255 2.058 1.965 2.117 . 0 0 "[ . 1]" 1
1254 1 25 ASP HA 1 30 LYS HB3 2.765 . 4.682 4.662 4.338 4.747 0.065 3 0 "[ . 1]" 1
1255 1 7 LYS QE 1 7 LYS QG 2.607 . 4.422 2.008 1.895 2.245 . 0 0 "[ . 1]" 1
1256 1 62 GLY QA 1 64 GLU HG2 3.240 . 5.500 4.093 2.844 4.941 . 0 0 "[ . 1]" 1
1257 1 53 GLU QG 1 102 LYS HE2 3.153 . 5.346 4.664 2.608 5.416 0.070 4 0 "[ . 1]" 1
1258 1 60 GLU HG3 1 62 GLY H 3.101 . 5.255 4.437 3.831 5.177 . 0 0 "[ . 1]" 1
1259 1 25 ASP HB2 1 32 LYS QG 2.897 . 4.904 4.779 4.618 4.908 0.004 9 0 "[ . 1]" 1
1260 1 39 GLU HG3 1 40 LEU H 2.961 . 5.013 2.399 2.161 3.155 . 0 0 "[ . 1]" 1
1261 1 57 GLU HA 1 57 GLU HG3 2.629 . 4.459 3.245 2.543 4.099 . 0 0 "[ . 1]" 1
1262 1 21 GLU H 1 21 GLU HB2 2.957 . 5.006 2.183 2.086 2.372 . 0 0 "[ . 1]" 1
1263 1 57 GLU HA 1 57 GLU HB2 2.639 . 4.474 2.128 2.036 2.169 . 0 0 "[ . 1]" 1
1264 1 46 GLU HB3 1 47 ALA H 3.390 2.011 5.769 2.490 2.169 2.843 . 0 0 "[ . 1]" 1
1265 1 39 GLU HA 1 39 GLU HB3 2.611 . 4.429 2.489 2.329 2.682 . 0 0 "[ . 1]" 1
1266 1 14 LEU HB2 1 15 GLU HB3 3.564 2.040 6.088 5.476 4.609 5.708 . 0 0 "[ . 1]" 1
1267 1 57 GLU HG3 1 58 ALA MB 2.800 . 4.740 2.792 2.519 3.192 . 0 0 "[ . 1]" 1
1268 1 60 GLU HG3 1 61 LYS HA 3.020 . 5.115 2.809 1.915 3.217 0.010 5 0 "[ . 1]" 1
1269 1 17 LYS HG2 1 18 ARG HA 2.996 . 5.073 2.595 2.391 3.008 . 0 0 "[ . 1]" 1
1270 1 67 ILE HB 1 68 ASP HA 3.173 . 5.381 4.224 4.001 4.367 . 0 0 "[ . 1]" 1
1271 1 70 LEU MD2 1 81 LEU HB3 2.897 . 4.904 4.113 3.320 4.932 0.028 8 0 "[ . 1]" 1
1272 1 67 ILE HG12 1 71 ILE MD 3.076 . 5.211 4.005 3.408 4.566 . 0 0 "[ . 1]" 1
1273 1 25 ASP HA 1 30 LYS QD 3.038 . 5.145 4.660 4.177 5.083 . 0 0 "[ . 1]" 1
1274 1 4 LYS QD 1 22 SER HB2 3.125 . 5.297 5.070 4.479 5.409 0.112 4 0 "[ . 1]" 1
1275 1 75 LEU HG 1 76 GLU HA 2.858 . 4.838 2.149 1.924 2.327 . 0 0 "[ . 1]" 1
1276 1 4 LYS H 1 12 GLU QG 3.133 . 5.311 4.932 4.211 5.383 0.072 3 0 "[ . 1]" 1
1277 1 70 LEU HG 1 75 LEU HA 2.875 . 4.867 3.535 2.758 4.419 . 0 0 "[ . 1]" 1
1278 1 99 ALA MB 1 104 ILE MG 2.262 . 3.876 1.949 1.856 2.166 . 0 0 "[ . 1]" 1
1279 1 17 LYS HB3 1 20 LEU H 3.465 2.025 5.905 4.437 4.190 4.653 . 0 0 "[ . 1]" 1
1280 1 102 LYS HB3 1 102 LYS QE 3.199 . 5.427 3.408 2.060 4.047 . 0 0 "[ . 1]" 1
1281 1 104 ILE HB 1 104 ILE MG 2.354 . 4.019 1.967 1.949 1.984 . 0 0 "[ . 1]" 1
1282 1 77 ILE HA 1 79 LYS QB 2.830 . 4.791 4.609 4.282 4.832 0.041 1 0 "[ . 1]" 1
1283 1 87 PRO QG 1 88 ASP QB 3.392 2.012 5.772 3.995 2.907 4.790 . 0 0 "[ . 1]" 1
1284 1 3 ASP H 1 9 ASN HB3 3.428 2.018 5.838 4.177 3.700 4.503 . 0 0 "[ . 1]" 1
1285 1 10 LEU H 1 11 GLN HB2 3.480 2.027 5.933 4.658 4.347 5.057 . 0 0 "[ . 1]" 1
1286 1 4 LYS H 1 9 ASN H 3.266 . 5.546 4.243 3.781 4.533 . 0 0 "[ . 1]" 1
1287 1 4 LYS H 1 9 ASN H 3.392 2.011 5.773 4.365 3.835 4.769 . 0 0 "[ . 1]" 1
1288 1 4 LYS H 1 9 ASN HA 3.204 . 5.436 4.565 3.653 5.523 0.087 9 0 "[ . 1]" 1
1289 1 2 THR HA 1 4 LYS H 3.453 2.022 5.884 4.274 3.168 5.466 . 0 0 "[ . 1]" 1
1290 1 3 ASP HB2 1 4 LYS H 2.943 . 4.983 3.341 2.581 4.096 . 0 0 "[ . 1]" 1
1291 1 2 THR HA 1 6 ASP H 3.456 2.023 5.889 4.981 3.829 5.680 . 0 0 "[ . 1]" 1
1292 1 5 TYR H 1 22 SER QB 3.493 2.029 5.957 4.115 3.355 5.001 . 0 0 "[ . 1]" 1
1293 1 5 TYR H 1 5 TYR HB3 2.997 . 5.075 3.232 3.106 3.361 . 0 0 "[ . 1]" 1
1294 1 5 TYR H 1 5 TYR QD 3.359 2.005 5.713 3.045 2.456 3.461 . 0 0 "[ . 1]" 1
1295 1 4 LYS QB 1 6 ASP H 3.256 . 5.528 4.214 3.947 4.416 . 0 0 "[ . 1]" 1
1296 1 5 TYR H 1 9 ASN H 3.271 . 5.555 4.858 4.358 5.343 . 0 0 "[ . 1]" 1
1297 1 10 LEU HB3 1 12 GLU H 3.304 . 5.614 4.685 4.484 5.231 . 0 0 "[ . 1]" 1
1298 1 12 GLU H 1 13 ILE MG 3.503 2.030 5.976 4.947 4.865 5.021 . 0 0 "[ . 1]" 1
1299 1 10 LEU HA 1 13 ILE H 2.719 . 4.606 3.175 3.048 3.303 . 0 0 "[ . 1]" 1
1300 1 9 ASN HB3 1 13 ILE H 3.480 2.027 5.933 5.045 4.361 5.642 . 0 0 "[ . 1]" 1
1301 1 10 LEU HB3 1 13 ILE H 3.279 . 5.569 4.468 4.039 5.041 . 0 0 "[ . 1]" 1
1302 1 10 LEU HB2 1 13 ILE H 3.361 2.006 5.716 4.412 4.072 4.720 . 0 0 "[ . 1]" 1
1303 1 12 GLU HB2 1 15 GLU H 3.533 2.035 6.031 4.599 4.393 4.759 . 0 0 "[ . 1]" 1
1304 1 15 GLU H 1 20 LEU MD1 3.453 2.022 5.884 4.406 3.808 5.331 . 0 0 "[ . 1]" 1
1305 1 14 LEU QD 1 15 GLU H 3.241 . 5.501 4.064 3.850 4.198 . 0 0 "[ . 1]" 1
1306 1 12 GLU HA 1 16 ASN H 2.898 . 4.906 3.727 3.567 3.910 . 0 0 "[ . 1]" 1
1307 1 13 ILE HB 1 16 ASN H 3.054 . 5.173 4.749 3.930 5.147 . 0 0 "[ . 1]" 1
1308 1 16 ASN H 1 17 LYS H 3.116 . 5.281 3.732 3.645 3.799 . 0 0 "[ . 1]" 1
1309 1 18 ARG H 1 21 GLU HB3 3.459 2.023 5.895 4.981 4.646 5.297 . 0 0 "[ . 1]" 1
1310 1 19 LEU H 1 21 GLU HB3 3.371 2.007 5.735 5.210 4.898 5.468 . 0 0 "[ . 1]" 1
1311 1 20 LEU H 1 21 GLU HB3 3.362 2.006 5.718 4.351 3.994 4.612 . 0 0 "[ . 1]" 1
1312 1 17 LYS HG2 1 21 GLU H 3.163 . 5.364 4.356 3.849 4.686 . 0 0 "[ . 1]" 1
1313 1 19 LEU QB 1 22 SER H 3.405 2.014 5.796 4.248 4.091 4.370 . 0 0 "[ . 1]" 1
1314 1 22 SER H 1 23 TYR H 2.645 . 4.485 2.342 2.232 2.402 . 0 0 "[ . 1]" 1
1315 1 22 SER QB 1 23 TYR H 3.218 . 5.461 2.672 2.413 2.927 . 0 0 "[ . 1]" 1
1316 1 13 ILE MG 1 23 TYR H 3.461 2.024 5.898 2.903 2.657 3.216 . 0 0 "[ . 1]" 1
1317 1 26 CYS H 1 30 LYS H 3.366 2.007 5.725 4.642 4.472 4.862 . 0 0 "[ . 1]" 1
1318 1 24 MET QG 1 27 VAL H 3.445 2.021 5.869 4.342 4.085 4.503 . 0 0 "[ . 1]" 1
1319 1 27 VAL H 1 28 LEU H 2.549 . 4.329 2.331 2.165 2.439 . 0 0 "[ . 1]" 1
1320 1 26 CYS HB2 1 28 LEU H 3.500 2.030 5.970 4.000 3.505 4.397 . 0 0 "[ . 1]" 1
1321 1 28 LEU HB3 1 30 LYS H 2.542 . 4.317 2.582 2.351 2.919 . 0 0 "[ . 1]" 1
1322 1 70 LEU MD2 1 79 LYS H 3.464 2.024 5.904 4.316 4.071 4.571 . 0 0 "[ . 1]" 1
1323 1 5 TYR HB2 1 32 LYS H 3.465 2.024 5.906 4.019 3.355 4.630 . 0 0 "[ . 1]" 1
1324 1 41 LYS H 1 41 LYS QE 3.495 2.029 5.961 4.043 3.649 4.608 . 0 0 "[ . 1]" 1
1325 1 32 LYS QG 1 33 CYS H 3.219 . 5.462 4.176 3.801 4.324 . 0 0 "[ . 1]" 1
1326 1 34 THR H 1 35 PRO HG2 3.483 2.027 5.939 5.936 5.711 6.062 0.123 3 0 "[ . 1]" 1
1327 1 7 LYS HA 1 38 LYS H 3.309 . 5.623 5.556 5.146 5.702 0.079 2 0 "[ . 1]" 1
1328 1 35 PRO HB3 1 38 LYS H 3.501 2.030 5.972 4.473 3.826 5.048 . 0 0 "[ . 1]" 1
1329 1 36 GLU HB3 1 38 LYS H 3.445 2.021 5.869 4.361 4.193 4.567 . 0 0 "[ . 1]" 1
1330 1 38 LYS H 1 38 LYS HD3 3.056 . 5.176 3.700 3.500 3.898 . 0 0 "[ . 1]" 1
1331 1 38 LYS HD2 1 39 GLU H 3.387 2.010 5.764 4.413 3.964 5.208 . 0 0 "[ . 1]" 1
1332 1 95 TYR HA 1 98 ARG H 2.774 . 4.698 3.262 2.843 3.429 . 0 0 "[ . 1]" 1
1333 1 29 GLY HA3 1 33 CYS H 3.447 2.021 5.873 4.425 3.922 4.729 . 0 0 "[ . 1]" 1
1334 1 41 LYS HD2 1 42 ASP H 3.164 . 5.365 4.110 3.954 4.273 . 0 0 "[ . 1]" 1
1335 1 40 LEU HA 1 43 HIS H 2.761 . 4.676 3.254 3.089 3.359 . 0 0 "[ . 1]" 1
1336 1 39 GLU HG2 1 43 HIS H 3.116 . 5.281 3.936 3.587 4.480 . 0 0 "[ . 1]" 1
1337 1 26 CYS H 1 30 LYS HG3 3.533 2.035 6.031 5.428 4.550 6.131 0.100 8 0 "[ . 1]" 1
1338 1 40 LEU HG 1 43 HIS H 3.161 . 5.360 4.620 4.478 4.770 . 0 0 "[ . 1]" 1
1339 1 26 CYS H 1 28 LEU HB3 3.126 . 5.298 4.721 4.615 4.823 . 0 0 "[ . 1]" 1
1340 1 45 GLN H 1 45 GLN QG 2.660 . 4.509 2.384 1.915 3.171 . 0 0 "[ . 1]" 1
1341 1 45 GLN H 1 48 LEU HB3 3.387 2.010 5.764 4.883 3.812 5.255 . 0 0 "[ . 1]" 1
1342 1 10 LEU HB3 1 45 GLN H 3.538 2.036 6.040 5.805 5.384 6.107 0.067 8 0 "[ . 1]" 1
1343 1 93 LYS HG2 1 97 ASP H 3.508 2.031 5.985 4.395 3.893 5.979 . 0 0 "[ . 1]" 1
1344 1 93 LYS HG2 1 97 ASP H 3.500 2.030 5.970 4.149 3.812 5.168 . 0 0 "[ . 1]" 1
1345 1 44 LEU HA 1 47 ALA H 3.248 . 5.514 2.641 2.596 2.692 . 0 0 "[ . 1]" 1
1346 1 46 GLU HB3 1 47 ALA H 3.162 . 5.362 2.448 2.140 2.778 . 0 0 "[ . 1]" 1
1347 1 47 ALA H 1 48 LEU QB 3.528 2.035 6.021 4.201 4.097 4.324 . 0 0 "[ . 1]" 1
1348 1 44 LEU H 1 48 LEU H 3.435 2.019 5.851 4.896 4.367 5.215 . 0 0 "[ . 1]" 1
1349 1 46 GLU HB3 1 49 GLU H 3.347 2.003 5.691 4.097 3.859 4.420 . 0 0 "[ . 1]" 1
1350 1 46 GLU QG 1 53 GLU H 3.232 . 5.486 4.587 4.176 5.038 . 0 0 "[ . 1]" 1
1351 1 53 GLU HB3 1 55 CYS H 3.217 . 5.459 3.966 2.966 4.528 . 0 0 "[ . 1]" 1
1352 1 54 LYS QB 1 55 CYS H 2.835 . 4.800 3.854 3.634 3.937 . 0 0 "[ . 1]" 1
1353 1 60 GLU H 1 61 LYS QB 3.338 2.001 5.675 4.624 4.196 4.787 . 0 0 "[ . 1]" 1
1354 1 60 GLU H 1 61 LYS QB 3.306 . 5.617 3.892 3.663 4.019 . 0 0 "[ . 1]" 1
1355 1 70 LEU MD1 1 78 TRP H 3.412 2.015 5.809 3.177 2.466 3.775 . 0 0 "[ . 1]" 1
1356 1 57 GLU HG2 1 59 GLN H 2.971 . 5.030 4.182 3.777 4.779 . 0 0 "[ . 1]" 1
1357 1 67 ILE H 1 70 LEU H 3.380 2.009 5.751 3.994 3.806 4.080 . 0 0 "[ . 1]" 1
1358 1 60 GLU HA 1 62 GLY H 2.847 . 4.820 3.327 3.206 3.457 . 0 0 "[ . 1]" 1
1359 1 58 ALA HA 1 62 GLY H 2.863 . 4.847 3.219 2.970 3.405 . 0 0 "[ . 1]" 1
1360 1 59 GLN HB2 1 63 ALA H 3.453 2.022 5.884 4.574 4.391 4.766 . 0 0 "[ . 1]" 1
1361 1 64 GLU H 1 67 ILE HB 3.441 2.020 5.862 4.868 4.408 5.034 . 0 0 "[ . 1]" 1
1362 1 61 LYS HA 1 65 THR H 3.274 . 5.560 4.126 3.923 4.430 . 0 0 "[ . 1]" 1
1363 1 63 ALA HA 1 65 THR H 3.265 . 5.544 4.231 4.096 4.392 . 0 0 "[ . 1]" 1
1364 1 66 SER QB 1 67 ILE H 3.124 . 5.295 2.732 2.416 3.386 . 0 0 "[ . 1]" 1
1365 1 63 ALA HA 1 67 ILE H 3.331 . 5.663 3.227 3.074 3.337 . 0 0 "[ . 1]" 1
1366 1 66 SER QB 1 68 ASP H 3.477 2.027 5.927 4.780 4.580 4.992 . 0 0 "[ . 1]" 1
1367 1 48 LEU HB2 1 68 ASP H 3.510 2.032 5.988 4.860 3.943 6.041 0.053 1 0 "[ . 1]" 1
1368 1 65 THR HA 1 69 TYR H 2.945 . 4.986 3.435 3.361 3.498 . 0 0 "[ . 1]" 1
1369 1 14 LEU HB3 1 69 TYR H 3.526 2.034 6.018 4.960 4.433 5.169 . 0 0 "[ . 1]" 1
1370 1 14 LEU HB2 1 69 TYR H 3.419 2.016 5.822 5.310 4.841 5.525 . 0 0 "[ . 1]" 1
1371 1 5 TYR H 1 22 SER HB2 3.206 . 5.439 3.909 3.501 4.160 . 0 0 "[ . 1]" 1
1372 1 67 ILE H 1 71 ILE H 3.225 . 5.473 4.662 4.492 4.780 . 0 0 "[ . 1]" 1
1373 1 68 ASP HA 1 71 ILE H 3.280 . 5.571 3.904 3.553 4.147 . 0 0 "[ . 1]" 1
1374 1 69 TYR HA 1 72 LYS H 2.598 . 4.408 2.714 2.669 2.752 . 0 0 "[ . 1]" 1
1375 1 69 TYR HA 1 73 ASN H 2.868 . 4.855 3.219 3.128 3.250 . 0 0 "[ . 1]" 1
1376 1 99 ALA H 1 104 ILE HG12 3.473 2.025 5.921 5.037 4.772 5.136 . 0 0 "[ . 1]" 1
1377 1 75 LEU MD2 1 79 LYS H 3.179 . 5.392 5.152 4.409 5.434 0.042 8 0 "[ . 1]" 1
1378 1 49 GLU HB3 1 81 LEU H 3.508 2.031 5.985 5.336 5.126 5.468 . 0 0 "[ . 1]" 1
1379 1 26 CYS HB3 1 28 LEU H 3.507 2.031 5.983 5.155 4.666 5.458 . 0 0 "[ . 1]" 1
1380 1 86 ASP H 1 87 PRO HB2 3.334 2.001 5.667 5.330 5.139 5.465 . 0 0 "[ . 1]" 1
1381 1 93 LYS H 1 93 LYS HG2 2.868 . 4.855 4.392 4.300 4.549 . 0 0 "[ . 1]" 1
1382 1 94 LYS H 1 96 GLU H 3.361 2.006 5.716 3.846 3.553 4.071 . 0 0 "[ . 1]" 1
1383 1 93 LYS H 1 96 GLU H 3.522 2.033 6.011 4.260 4.014 4.407 . 0 0 "[ . 1]" 1
1384 1 99 ALA H 1 102 LYS H 3.519 2.033 6.005 4.710 4.582 4.907 . 0 0 "[ . 1]" 1
1385 1 99 ALA H 1 104 ILE HG12 3.048 . 5.163 4.066 3.828 4.227 . 0 0 "[ . 1]" 1
1386 1 67 ILE MG 1 99 ALA H 3.483 2.027 5.939 3.703 3.318 3.947 . 0 0 "[ . 1]" 1
1387 1 100 LYS H 1 102 LYS H 3.500 2.030 5.970 3.927 3.818 4.040 . 0 0 "[ . 1]" 1
1388 1 100 LYS H 1 104 ILE HG12 3.107 . 5.265 3.242 2.852 3.695 . 0 0 "[ . 1]" 1
1389 1 101 ALA H 1 104 ILE HG12 3.524 2.034 6.014 5.807 5.196 6.068 0.054 8 0 "[ . 1]" 1
1390 1 101 ALA H 1 104 ILE HG12 3.520 2.033 6.007 5.487 5.034 5.678 . 0 0 "[ . 1]" 1
1391 1 17 LYS QE 1 18 ARG HE 3.505 2.031 5.979 5.499 4.322 6.005 0.026 4 0 "[ . 1]" 1
1392 1 9 ASN HD22 1 12 GLU QG 3.531 2.035 6.027 5.088 4.637 5.812 . 0 0 "[ . 1]" 1
1393 1 9 ASN HD21 1 41 LYS HG3 3.505 2.031 5.979 5.368 4.742 5.848 . 0 0 "[ . 1]" 1
1394 1 9 ASN HD21 1 41 LYS HG3 3.500 2.030 5.970 5.432 4.848 5.785 . 0 0 "[ . 1]" 1
1395 1 16 ASN H 1 16 ASN HD22 3.522 2.033 6.011 4.325 4.089 4.607 . 0 0 "[ . 1]" 1
1396 1 16 ASN HD21 1 19 LEU HA 3.470 2.025 5.915 5.948 5.793 6.011 0.096 6 0 "[ . 1]" 1
1397 1 9 ASN HD21 1 41 LYS HD3 3.376 2.008 5.744 4.845 4.230 5.155 . 0 0 "[ . 1]" 1
1398 1 9 ASN HD21 1 33 CYS HB3 3.478 2.026 5.930 6.083 5.989 6.309 0.379 8 0 "[ . 1]" 1
1399 1 10 LEU H 1 11 GLN HE22 3.458 2.023 5.893 4.525 4.312 5.091 . 0 0 "[ . 1]" 1
1400 1 45 GLN HA 1 45 GLN HE21 3.531 2.035 6.027 3.770 3.333 4.221 . 0 0 "[ . 1]" 1
1401 1 67 ILE HG13 1 68 ASP H 3.401 2.013 5.789 4.219 4.124 4.320 . 0 0 "[ . 1]" 1
1402 1 4 LYS H 1 9 ASN H 3.312 . 5.629 4.672 3.990 5.120 . 0 0 "[ . 1]" 1
1403 1 5 TYR H 1 7 LYS H 2.598 . 4.408 3.027 2.285 3.773 . 0 0 "[ . 1]" 1
1404 1 19 LEU H 1 20 LEU QB 2.755 . 4.666 4.188 3.998 4.319 . 0 0 "[ . 1]" 1
1405 1 13 ILE HG12 1 14 LEU H 3.038 . 5.145 3.637 3.375 4.368 . 0 0 "[ . 1]" 1
1406 1 3 ASP H 1 7 LYS QG 3.076 . 5.212 4.140 2.035 5.239 0.027 7 0 "[ . 1]" 1
1407 1 57 GLU HA 1 61 LYS H 2.564 . 4.353 3.294 3.153 3.446 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 81
_Distance_constraint_stats_list.Viol_count 277
_Distance_constraint_stats_list.Viol_total 100.439
_Distance_constraint_stats_list.Viol_max 0.149
_Distance_constraint_stats_list.Viol_rms 0.0248
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0124
_Distance_constraint_stats_list.Viol_average_violations_only 0.0363
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 11 GLN 0.263 0.045 4 0 "[ . 1]"
1 15 GLU 0.263 0.045 4 0 "[ . 1]"
1 18 ARG 1.245 0.149 3 0 "[ . 1]"
1 19 LEU 0.160 0.064 8 0 "[ . 1]"
1 20 LEU 0.879 0.113 8 0 "[ . 1]"
1 22 SER 1.245 0.149 3 0 "[ . 1]"
1 23 TYR 0.677 0.064 8 0 "[ . 1]"
1 24 MET 0.879 0.113 8 0 "[ . 1]"
1 27 VAL 0.518 0.061 5 0 "[ . 1]"
1 35 PRO 0.339 0.073 2 0 "[ . 1]"
1 36 GLU 0.105 0.049 7 0 "[ . 1]"
1 37 GLY 0.031 0.028 3 0 "[ . 1]"
1 38 LYS 0.151 0.055 8 0 "[ . 1]"
1 39 GLU 0.600 0.073 2 0 "[ . 1]"
1 40 LEU 0.138 0.049 7 0 "[ . 1]"
1 41 LYS 0.110 0.034 3 0 "[ . 1]"
1 42 ASP 0.369 0.070 3 0 "[ . 1]"
1 43 HIS 0.284 0.066 10 0 "[ . 1]"
1 44 LEU 0.766 0.133 6 0 "[ . 1]"
1 45 GLN 0.079 0.034 3 0 "[ . 1]"
1 46 GLU 0.218 0.070 3 0 "[ . 1]"
1 47 ALA 0.023 0.016 2 0 "[ . 1]"
1 48 LEU 0.733 0.133 6 0 "[ . 1]"
1 57 GLU 0.031 0.031 8 0 "[ . 1]"
1 58 ALA 0.000 0.000 . 0 "[ . 1]"
1 60 GLU 0.157 0.071 4 0 "[ . 1]"
1 61 LYS 0.312 0.059 1 0 "[ . 1]"
1 62 GLY 0.038 0.026 10 0 "[ . 1]"
1 63 ALA 0.664 0.077 8 0 "[ . 1]"
1 64 GLU 0.264 0.071 4 0 "[ . 1]"
1 65 THR 1.182 0.113 6 0 "[ . 1]"
1 66 SER 0.050 0.026 10 0 "[ . 1]"
1 67 ILE 0.714 0.077 8 0 "[ . 1]"
1 68 ASP 1.014 0.095 8 0 "[ . 1]"
1 69 TYR 1.058 0.113 6 0 "[ . 1]"
1 70 LEU 0.012 0.011 3 0 "[ . 1]"
1 71 ILE 0.050 0.031 6 0 "[ . 1]"
1 72 LYS 0.907 0.095 8 0 "[ . 1]"
1 73 ASN 0.157 0.061 2 0 "[ . 1]"
1 75 LEU 0.113 0.036 8 0 "[ . 1]"
1 76 GLU 0.169 0.037 1 0 "[ . 1]"
1 77 ILE 0.049 0.029 8 0 "[ . 1]"
1 78 TRP 0.111 0.047 6 0 "[ . 1]"
1 79 LYS 0.115 0.036 8 0 "[ . 1]"
1 80 GLU 0.354 0.077 4 0 "[ . 1]"
1 81 LEU 0.169 0.044 4 0 "[ . 1]"
1 82 THR 0.111 0.047 6 0 "[ . 1]"
1 83 ALA 0.002 0.002 4 0 "[ . 1]"
1 84 HIS 0.185 0.077 4 0 "[ . 1]"
1 85 PHE 0.120 0.044 4 0 "[ . 1]"
1 91 TRP 0.212 0.042 10 0 "[ . 1]"
1 92 ARG 0.010 0.008 1 0 "[ . 1]"
1 93 LYS 0.123 0.059 3 0 "[ . 1]"
1 94 LYS 0.089 0.039 3 0 "[ . 1]"
1 95 TYR 0.344 0.042 10 0 "[ . 1]"
1 96 GLU 0.053 0.028 9 0 "[ . 1]"
1 97 ASP 0.468 0.084 4 0 "[ . 1]"
1 98 ARG 0.089 0.039 3 0 "[ . 1]"
1 99 ALA 0.131 0.032 9 0 "[ . 1]"
1 100 LYS 0.044 0.028 9 0 "[ . 1]"
1 101 ALA 0.345 0.084 4 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 GLN O 1 15 GLU H 1.800 . 2.300 2.266 1.986 2.345 0.045 4 0 "[ . 1]" 2
2 1 11 GLN O 1 15 GLU N 2.800 2.800 3.200 3.107 2.876 3.224 0.024 4 0 "[ . 1]" 2
3 1 18 ARG O 1 22 SER H 1.800 . 2.300 2.415 2.383 2.449 0.149 3 0 "[ . 1]" 2
4 1 18 ARG O 1 22 SER N 2.800 2.800 3.200 3.154 3.004 3.239 0.039 1 0 "[ . 1]" 2
5 1 19 LEU O 1 23 TYR H 1.800 . 2.300 2.263 2.118 2.364 0.064 8 0 "[ . 1]" 2
6 1 19 LEU O 1 23 TYR N 2.800 2.800 3.200 3.147 3.035 3.221 0.021 1 0 "[ . 1]" 2
7 1 20 LEU O 1 24 MET H 1.800 . 2.300 2.375 2.312 2.413 0.113 8 0 "[ . 1]" 2
8 1 20 LEU O 1 24 MET N 2.800 2.800 3.200 2.848 2.738 2.988 0.062 1 0 "[ . 1]" 2
9 1 23 TYR O 1 27 VAL H 1.800 . 2.300 2.303 2.203 2.361 0.061 5 0 "[ . 1]" 2
10 1 23 TYR O 1 27 VAL N 2.800 2.800 3.200 3.230 3.153 3.258 0.058 9 0 "[ . 1]" 2
11 1 35 PRO O 1 39 GLU H 1.800 . 2.300 2.317 2.182 2.373 0.073 2 0 "[ . 1]" 2
12 1 35 PRO O 1 39 GLU N 2.800 2.800 3.200 3.135 2.944 3.214 0.014 10 0 "[ . 1]" 2
13 1 36 GLU O 1 40 LEU H 1.800 . 2.300 2.162 1.915 2.292 . 0 0 "[ . 1]" 2
14 1 36 GLU O 1 40 LEU N 2.800 2.800 3.200 3.112 2.892 3.249 0.049 7 0 "[ . 1]" 2
15 1 37 GLY O 1 41 LYS H 1.800 . 2.300 2.042 1.842 2.283 . 0 0 "[ . 1]" 2
16 1 37 GLY O 1 41 LYS N 2.800 2.800 3.200 2.984 2.798 3.228 0.028 3 0 "[ . 1]" 2
17 1 38 LYS O 1 42 ASP H 1.800 . 2.300 2.148 1.877 2.355 0.055 8 0 "[ . 1]" 2
18 1 38 LYS O 1 42 ASP N 2.800 2.800 3.200 3.010 2.781 3.202 0.019 6 0 "[ . 1]" 2
19 1 39 GLU O 1 43 HIS H 1.800 . 2.300 2.269 2.223 2.311 0.011 7 0 "[ . 1]" 2
20 1 39 GLU O 1 43 HIS N 2.800 2.800 3.200 3.217 3.164 3.266 0.066 10 0 "[ . 1]" 2
21 1 40 LEU O 1 44 LEU H 1.800 . 2.300 2.015 1.826 2.328 0.028 1 0 "[ . 1]" 2
22 1 40 LEU O 1 44 LEU N 2.800 2.800 3.200 2.904 2.796 3.186 0.004 5 0 "[ . 1]" 2
23 1 41 LYS O 1 45 GLN H 1.800 . 2.300 1.927 1.804 2.071 . 0 0 "[ . 1]" 2
24 1 41 LYS O 1 45 GLN N 2.800 2.800 3.200 2.836 2.766 2.910 0.034 3 0 "[ . 1]" 2
25 1 42 ASP O 1 46 GLU H 1.800 . 2.300 2.291 2.183 2.370 0.070 3 0 "[ . 1]" 2
26 1 42 ASP O 1 46 GLU N 2.800 2.800 3.200 3.081 2.960 3.154 . 0 0 "[ . 1]" 2
27 1 43 HIS O 1 47 ALA H 1.800 . 2.300 2.131 1.908 2.307 0.007 7 0 "[ . 1]" 2
28 1 43 HIS O 1 47 ALA N 2.800 2.800 3.200 2.979 2.784 3.195 0.016 2 0 "[ . 1]" 2
29 1 44 LEU O 1 48 LEU H 1.800 . 2.300 2.329 2.038 2.433 0.133 6 0 "[ . 1]" 2
30 1 44 LEU O 1 48 LEU N 2.800 2.800 3.200 3.141 2.911 3.250 0.050 2 0 "[ . 1]" 2
31 1 57 GLU O 1 61 LYS H 1.800 . 2.300 1.992 1.847 2.292 . 0 0 "[ . 1]" 2
32 1 57 GLU O 1 61 LYS N 2.800 2.800 3.200 2.942 2.801 3.231 0.031 8 0 "[ . 1]" 2
33 1 58 ALA O 1 62 GLY H 1.800 . 2.300 2.153 1.917 2.292 . 0 0 "[ . 1]" 2
34 1 58 ALA O 1 62 GLY N 2.800 2.800 3.200 2.923 2.822 3.059 . 0 0 "[ . 1]" 2
35 1 60 GLU O 1 64 GLU H 1.800 . 2.300 2.175 1.918 2.313 0.013 4 0 "[ . 1]" 2
36 1 60 GLU O 1 64 GLU N 2.800 2.800 3.200 3.118 2.806 3.271 0.071 4 0 "[ . 1]" 2
37 1 61 LYS O 1 65 THR H 1.800 . 2.300 2.202 2.152 2.254 . 0 0 "[ . 1]" 2
38 1 61 LYS O 1 65 THR N 2.800 2.800 3.100 3.128 3.105 3.159 0.059 1 0 "[ . 1]" 2
39 1 62 GLY O 1 66 SER H 1.800 . 2.300 1.970 1.811 2.300 0.000 10 0 "[ . 1]" 2
40 1 62 GLY O 1 66 SER N 2.800 2.800 3.200 2.918 2.792 3.226 0.026 10 0 "[ . 1]" 2
41 1 63 ALA O 1 67 ILE H 1.800 . 2.300 1.797 1.753 1.854 0.047 5 0 "[ . 1]" 2
42 1 63 ALA O 1 67 ILE N 2.800 2.800 3.200 2.747 2.723 2.787 0.077 8 0 "[ . 1]" 2
43 1 64 GLU O 1 68 ASP H 1.800 . 2.300 2.124 1.857 2.358 0.058 6 0 "[ . 1]" 2
44 1 64 GLU O 1 68 ASP N 2.800 2.800 3.200 3.018 2.799 3.239 0.039 6 0 "[ . 1]" 2
45 1 65 THR O 1 69 TYR H 1.800 . 2.300 2.304 2.239 2.354 0.054 7 0 "[ . 1]" 2
46 1 65 THR O 1 69 TYR N 2.800 2.800 3.200 3.271 3.217 3.313 0.113 6 0 "[ . 1]" 2
47 1 66 SER O 1 70 LEU H 1.800 . 2.300 2.127 1.963 2.301 0.001 3 0 "[ . 1]" 2
48 1 66 SER O 1 70 LEU N 2.800 2.800 3.200 3.040 2.892 3.211 0.011 3 0 "[ . 1]" 2
49 1 67 ILE O 1 71 ILE H 1.800 . 2.300 2.070 1.822 2.268 . 0 0 "[ . 1]" 2
50 1 67 ILE O 1 71 ILE N 2.800 2.800 3.200 3.023 2.793 3.231 0.031 6 0 "[ . 1]" 2
51 1 68 ASP O 1 72 LYS H 1.800 . 2.300 2.340 2.270 2.367 0.067 2 0 "[ . 1]" 2
52 1 68 ASP O 1 72 LYS N 2.800 2.800 3.200 3.244 3.161 3.295 0.095 8 0 "[ . 1]" 2
53 1 69 TYR O 1 73 ASN H 1.800 . 2.300 2.156 1.846 2.361 0.061 2 0 "[ . 1]" 2
54 1 69 TYR O 1 73 ASN N 2.800 2.800 3.200 2.871 2.777 2.998 0.023 8 0 "[ . 1]" 2
55 1 75 LEU O 1 79 LYS H 1.800 . 2.300 2.196 1.998 2.305 0.005 8 0 "[ . 1]" 2
56 1 75 LEU O 1 79 LYS N 2.800 2.800 3.200 3.123 2.920 3.236 0.036 8 0 "[ . 1]" 2
57 1 76 GLU O 1 80 GLU H 1.800 . 2.300 2.276 2.037 2.337 0.037 1 0 "[ . 1]" 2
58 1 76 GLU O 1 80 GLU N 2.800 2.800 3.200 3.143 2.997 3.228 0.028 7 0 "[ . 1]" 2
59 1 77 ILE O 1 81 LEU H 1.800 . 2.300 2.051 1.801 2.263 . 0 0 "[ . 1]" 2
60 1 77 ILE O 1 81 LEU N 2.800 2.800 3.200 2.967 2.771 3.192 0.029 8 0 "[ . 1]" 2
61 1 78 TRP O 1 82 THR N 2.800 2.800 3.200 2.832 2.753 2.971 0.047 6 0 "[ . 1]" 2
62 1 79 LYS O 1 83 ALA H 1.800 . 2.300 1.978 1.874 2.212 . 0 0 "[ . 1]" 2
63 1 79 LYS O 1 83 ALA N 2.800 2.800 3.200 2.880 2.798 3.177 0.002 4 0 "[ . 1]" 2
64 1 80 GLU O 1 84 HIS H 1.800 . 2.300 2.263 2.055 2.377 0.077 4 0 "[ . 1]" 2
65 1 80 GLU O 1 84 HIS N 2.800 2.800 3.200 3.006 2.856 3.134 . 0 0 "[ . 1]" 2
66 1 81 LEU O 1 85 PHE H 1.800 . 2.300 2.139 1.787 2.339 0.039 10 0 "[ . 1]" 2
67 1 81 LEU O 1 85 PHE N 2.800 2.800 3.200 2.982 2.756 3.130 0.044 4 0 "[ . 1]" 2
68 1 91 TRP O 1 95 TYR H 1.800 . 2.300 2.110 1.829 2.340 0.040 7 0 "[ . 1]" 2
69 1 91 TRP O 1 95 TYR N 2.800 2.800 3.200 3.044 2.790 3.242 0.042 10 0 "[ . 1]" 2
70 1 92 ARG O 1 96 GLU H 1.800 . 2.300 1.986 1.815 2.221 . 0 0 "[ . 1]" 2
71 1 92 ARG O 1 96 GLU N 2.800 2.800 3.200 2.938 2.792 3.195 0.008 1 0 "[ . 1]" 2
72 1 93 LYS O 1 97 ASP H 1.800 . 2.300 1.939 1.812 2.156 . 0 0 "[ . 1]" 2
73 1 93 LYS O 1 97 ASP N 2.800 2.800 3.200 2.856 2.741 3.082 0.059 3 0 "[ . 1]" 2
74 1 94 LYS O 1 98 ARG H 1.800 . 2.300 1.966 1.802 2.306 0.006 3 0 "[ . 1]" 2
75 1 94 LYS O 1 98 ARG N 2.800 2.800 3.200 2.923 2.775 3.239 0.039 3 0 "[ . 1]" 2
76 1 95 TYR O 1 99 ALA H 1.800 . 2.300 2.115 1.857 2.325 0.025 3 0 "[ . 1]" 2
77 1 95 TYR O 1 99 ALA N 2.800 2.800 3.200 3.038 2.804 3.232 0.032 9 0 "[ . 1]" 2
78 1 96 GLU O 1 100 LYS H 1.800 . 2.300 1.983 1.822 2.308 0.008 8 0 "[ . 1]" 2
79 1 96 GLU O 1 100 LYS N 2.800 2.800 3.200 2.920 2.772 3.208 0.028 9 0 "[ . 1]" 2
80 1 97 ASP O 1 101 ALA H 1.800 . 2.300 2.189 1.937 2.384 0.084 4 0 "[ . 1]" 2
81 1 97 ASP O 1 101 ALA N 2.800 2.800 3.200 3.056 2.854 3.237 0.037 2 0 "[ . 1]" 2
stop_
save_
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