NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
412929 |
2c0s   |
7349 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2c0s
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 828
_Distance_constraint_stats_list.Viol_count 871
_Distance_constraint_stats_list.Viol_total 822.399
_Distance_constraint_stats_list.Viol_max 0.284
_Distance_constraint_stats_list.Viol_rms 0.0109
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0016
_Distance_constraint_stats_list.Viol_average_violations_only 0.0378
_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 ASN 0.411 0.189 2 0 "[ . 1 . 2 .]"
1 3 VAL 0.716 0.146 20 0 "[ . 1 . 2 .]"
1 4 THR 2.055 0.182 20 0 "[ . 1 . 2 .]"
1 5 LYS 0.996 0.189 2 0 "[ . 1 . 2 .]"
1 6 LEU 1.380 0.075 9 0 "[ . 1 . 2 .]"
1 7 ASN 1.229 0.080 3 0 "[ . 1 . 2 .]"
1 8 ASP 0.017 0.013 11 0 "[ . 1 . 2 .]"
1 9 ARG 0.442 0.075 18 0 "[ . 1 . 2 .]"
1 10 ILE 1.575 0.122 15 0 "[ . 1 . 2 .]"
1 11 GLU 0.394 0.086 24 0 "[ . 1 . 2 .]"
1 12 ALA 0.550 0.089 6 0 "[ . 1 . 2 .]"
1 13 LYS 1.690 0.209 7 0 "[ . 1 . 2 .]"
1 14 LYS 2.792 0.209 7 0 "[ . 1 . 2 .]"
1 15 LYS 1.911 0.284 25 0 "[ . 1 . 2 .]"
1 16 GLU 1.505 0.100 3 0 "[ . 1 . 2 .]"
1 17 LEU 2.721 0.162 24 0 "[ . 1 . 2 .]"
1 18 ILE 0.832 0.103 9 0 "[ . 1 . 2 .]"
1 19 TYR 0.244 0.061 9 0 "[ . 1 . 2 .]"
1 20 LEU 0.800 0.050 2 0 "[ . 1 . 2 .]"
1 21 VAL 1.014 0.124 13 0 "[ . 1 . 2 .]"
1 22 GLU 0.368 0.124 13 0 "[ . 1 . 2 .]"
1 23 LYS 1.015 0.111 2 0 "[ . 1 . 2 .]"
1 24 TYR 0.343 0.048 17 0 "[ . 1 . 2 .]"
1 25 GLY 0.543 0.088 11 0 "[ . 1 . 2 .]"
1 26 PHE 0.344 0.088 11 0 "[ . 1 . 2 .]"
1 27 THR 0.591 0.086 3 0 "[ . 1 . 2 .]"
1 28 HIS 0.491 0.086 25 0 "[ . 1 . 2 .]"
1 29 HIS 0.030 0.016 17 0 "[ . 1 . 2 .]"
1 30 LYS 0.491 0.112 16 0 "[ . 1 . 2 .]"
1 31 VAL 0.346 0.043 13 0 "[ . 1 . 2 .]"
1 32 ILE 0.415 0.086 17 0 "[ . 1 . 2 .]"
1 33 SER 0.170 0.086 17 0 "[ . 1 . 2 .]"
1 34 PHE 1.595 0.162 24 0 "[ . 1 . 2 .]"
1 35 SER 0.286 0.037 7 0 "[ . 1 . 2 .]"
1 36 GLN 0.177 0.035 23 0 "[ . 1 . 2 .]"
1 37 GLU 0.487 0.045 25 0 "[ . 1 . 2 .]"
1 38 LEU 0.573 0.081 1 0 "[ . 1 . 2 .]"
1 39 ASP 0.107 0.058 20 0 "[ . 1 . 2 .]"
1 40 ARG 0.003 0.003 3 0 "[ . 1 . 2 .]"
1 41 LEU 0.258 0.085 7 0 "[ . 1 . 2 .]"
1 42 LEU 1.356 0.093 13 0 "[ . 1 . 2 .]"
1 43 ASN 1.150 0.093 13 0 "[ . 1 . 2 .]"
1 44 LEU 0.604 0.075 9 0 "[ . 1 . 2 .]"
1 45 LEU 0.451 0.080 3 0 "[ . 1 . 2 .]"
1 46 ILE 0.709 0.103 21 0 "[ . 1 . 2 .]"
1 47 GLU 0.397 0.103 21 0 "[ . 1 . 2 .]"
1 48 LEU 1.519 0.236 8 0 "[ . 1 . 2 .]"
1 49 LYS 0.136 0.054 7 0 "[ . 1 . 2 .]"
1 50 THR 0.580 0.125 22 0 "[ . 1 . 2 .]"
1 51 LYS 2.345 0.211 1 0 "[ . 1 . 2 .]"
1 52 LYS 2.573 0.165 17 0 "[ . 1 . 2 .]"
1 53 LYS 3.032 0.211 1 0 "[ . 1 . 2 .]"
1 54 ARG 1.137 0.152 5 0 "[ . 1 . 2 .]"
1 55 TYR 1.195 0.149 9 0 "[ . 1 . 2 .]"
1 56 SER 0.881 0.127 12 0 "[ . 1 . 2 .]"
1 57 LEU 1.633 0.165 17 0 "[ . 1 . 2 .]"
1 58 LEU 0.782 0.098 10 0 "[ . 1 . 2 .]"
1 59 GLU 2.422 0.145 8 0 "[ . 1 . 2 .]"
1 60 HIS 1.352 0.147 17 0 "[ . 1 . 2 .]"
1 61 HIS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 63 HIS 0.113 0.058 15 0 "[ . 1 . 2 .]"
1 64 HIS 1.209 0.150 10 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 29 HIS H 1 29 HIS HB2 4.100 . 4.100 2.564 2.396 3.656 . 0 0 "[ . 1 . 2 .]" 1
2 1 29 HIS H 1 29 HIS HB3 4.100 . 4.100 3.220 2.491 3.680 . 0 0 "[ . 1 . 2 .]" 1
3 1 63 HIS H 1 64 HIS H 4.460 . 4.460 4.030 2.342 4.491 0.031 1 0 "[ . 1 . 2 .]" 1
4 1 64 HIS H 1 64 HIS HB3 3.450 . 3.450 3.087 2.546 3.567 0.117 24 0 "[ . 1 . 2 .]" 1
5 1 34 PHE H 1 34 PHE HB3 3.850 . 3.850 3.647 3.605 3.677 . 0 0 "[ . 1 . 2 .]" 1
6 1 34 PHE H 1 34 PHE HB2 3.850 . 3.850 2.538 2.363 2.647 . 0 0 "[ . 1 . 2 .]" 1
7 1 56 SER HB2 1 57 LEU H 4.770 . 4.770 3.599 2.585 4.588 . 0 0 "[ . 1 . 2 .]" 1
8 1 56 SER HB3 1 57 LEU H 4.770 . 4.770 3.994 2.598 4.451 . 0 0 "[ . 1 . 2 .]" 1
9 1 57 LEU H 1 57 LEU HB2 3.680 . 3.680 2.496 2.367 2.775 . 0 0 "[ . 1 . 2 .]" 1
10 1 27 THR MG 1 28 HIS H 4.460 . 4.460 3.941 2.179 4.397 . 0 0 "[ . 1 . 2 .]" 1
11 1 27 THR H 1 28 HIS H 3.520 . 3.520 2.705 1.592 3.606 0.086 25 0 "[ . 1 . 2 .]" 1
12 1 28 HIS H 1 28 HIS HB2 3.690 . 3.690 2.855 2.202 3.698 0.008 12 0 "[ . 1 . 2 .]" 1
13 1 28 HIS H 1 28 HIS HB3 3.690 . 3.690 2.716 2.419 3.622 . 0 0 "[ . 1 . 2 .]" 1
14 1 28 HIS H 1 31 VAL HB 5.050 . 5.050 3.462 1.933 5.086 0.036 18 0 "[ . 1 . 2 .]" 1
15 1 27 THR HB 1 28 HIS H 4.490 . 4.490 3.934 2.215 4.478 . 0 0 "[ . 1 . 2 .]" 1
16 1 2 ASN HA 1 3 VAL H 3.200 . 3.200 2.197 2.038 2.416 . 0 0 "[ . 1 . 2 .]" 1
17 1 3 VAL H 1 3 VAL HB 3.800 . 3.800 3.661 3.611 3.689 . 0 0 "[ . 1 . 2 .]" 1
18 1 3 VAL H 1 3 VAL MG1 3.330 . 3.330 2.283 2.144 2.391 . 0 0 "[ . 1 . 2 .]" 1
19 1 44 LEU H 1 44 LEU MD1 3.940 . 3.940 3.697 3.597 3.774 . 0 0 "[ . 1 . 2 .]" 1
20 1 43 ASN HB3 1 44 LEU H 4.150 . 4.150 3.349 2.571 3.955 . 0 0 "[ . 1 . 2 .]" 1
21 1 41 LEU HA 1 44 LEU H 4.150 . 4.150 3.279 3.004 3.589 . 0 0 "[ . 1 . 2 .]" 1
22 1 44 LEU H 1 44 LEU HB2 3.560 . 3.560 2.457 2.369 2.543 . 0 0 "[ . 1 . 2 .]" 1
23 1 51 LYS H 1 51 LYS HD2 5.500 . 5.500 4.051 2.363 4.868 . 0 0 "[ . 1 . 2 .]" 1
24 1 51 LYS H 1 51 LYS HD3 5.500 . 5.500 4.184 2.697 5.008 . 0 0 "[ . 1 . 2 .]" 1
25 1 50 THR MG 1 51 LYS H 4.000 . 4.000 3.728 2.508 4.125 0.125 22 0 "[ . 1 . 2 .]" 1
26 1 51 LYS H 1 51 LYS HG2 4.620 . 4.620 3.151 1.952 4.421 . 0 0 "[ . 1 . 2 .]" 1
27 1 51 LYS H 1 51 LYS HG3 4.620 . 4.620 3.020 1.981 4.452 . 0 0 "[ . 1 . 2 .]" 1
28 1 9 ARG H 1 10 ILE H 3.920 . 3.920 2.594 2.474 2.692 . 0 0 "[ . 1 . 2 .]" 1
29 1 8 ASP HB3 1 9 ARG H 4.100 . 4.100 2.649 2.459 3.523 . 0 0 "[ . 1 . 2 .]" 1
30 1 9 ARG H 1 9 ARG HG2 3.870 . 3.870 3.420 2.323 3.894 0.024 1 0 "[ . 1 . 2 .]" 1
31 1 8 ASP HB2 1 9 ARG H 4.100 . 4.100 3.864 2.897 4.104 0.004 2 0 "[ . 1 . 2 .]" 1
32 1 9 ARG H 1 9 ARG HB3 3.660 . 3.660 3.531 2.524 3.674 0.014 2 0 "[ . 1 . 2 .]" 1
33 1 9 ARG H 1 9 ARG HB2 3.660 . 3.660 2.575 2.222 3.676 0.016 25 0 "[ . 1 . 2 .]" 1
34 1 9 ARG H 1 9 ARG HG3 3.870 . 3.870 2.575 2.106 3.931 0.061 1 0 "[ . 1 . 2 .]" 1
35 1 9 ARG H 1 10 ILE MD 5.500 . 5.500 5.078 3.615 5.380 . 0 0 "[ . 1 . 2 .]" 1
36 1 47 GLU H 1 48 LEU H 4.000 . 4.000 2.767 2.568 2.950 . 0 0 "[ . 1 . 2 .]" 1
37 1 46 ILE HB 1 47 GLU H 3.830 . 3.830 2.584 2.279 2.973 . 0 0 "[ . 1 . 2 .]" 1
38 1 47 GLU H 1 47 GLU HB2 3.800 . 3.800 2.398 2.041 2.605 . 0 0 "[ . 1 . 2 .]" 1
39 1 47 GLU H 1 47 GLU HB3 3.800 . 3.800 2.850 2.416 3.659 . 0 0 "[ . 1 . 2 .]" 1
40 1 46 ILE MG 1 47 GLU H 3.780 . 3.780 3.394 3.015 3.671 . 0 0 "[ . 1 . 2 .]" 1
41 1 32 ILE H 1 32 ILE MG 3.870 . 3.870 3.786 3.762 3.800 . 0 0 "[ . 1 . 2 .]" 1
42 1 32 ILE H 1 32 ILE HG12 3.920 . 3.920 3.234 1.914 3.433 . 0 0 "[ . 1 . 2 .]" 1
43 1 31 VAL HB 1 32 ILE H 3.880 . 3.880 2.727 2.473 3.923 0.043 13 0 "[ . 1 . 2 .]" 1
44 1 7 ASN HA 1 10 ILE H 4.320 . 4.320 3.325 2.877 3.761 . 0 0 "[ . 1 . 2 .]" 1
45 1 8 ASP HA 1 10 ILE H 4.980 . 4.980 4.324 4.143 4.562 . 0 0 "[ . 1 . 2 .]" 1
46 1 10 ILE H 1 10 ILE MG 3.790 . 3.790 3.780 3.737 3.801 0.011 15 0 "[ . 1 . 2 .]" 1
47 1 9 ARG HB3 1 10 ILE H 4.230 . 4.230 3.653 3.401 4.020 . 0 0 "[ . 1 . 2 .]" 1
48 1 10 ILE H 1 10 ILE HB 4.100 . 4.100 2.540 2.382 2.647 . 0 0 "[ . 1 . 2 .]" 1
49 1 9 ARG HB2 1 10 ILE H 4.230 . 4.230 2.781 2.275 4.123 . 0 0 "[ . 1 . 2 .]" 1
50 1 10 ILE H 1 10 ILE HG12 4.420 . 4.420 3.383 3.177 3.935 . 0 0 "[ . 1 . 2 .]" 1
51 1 52 LYS HG3 1 53 LYS H 4.200 . 4.200 3.652 2.735 4.264 0.064 18 0 "[ . 1 . 2 .]" 1
52 1 53 LYS H 1 53 LYS HD2 5.400 . 5.400 4.170 3.127 4.839 . 0 0 "[ . 1 . 2 .]" 1
53 1 53 LYS H 1 53 LYS HD3 5.400 . 5.400 4.009 2.448 4.656 . 0 0 "[ . 1 . 2 .]" 1
54 1 4 THR MG 1 6 LEU H 4.770 . 4.770 4.362 4.130 4.734 . 0 0 "[ . 1 . 2 .]" 1
55 1 3 VAL HA 1 6 LEU H 4.050 . 4.050 3.177 2.859 3.819 . 0 0 "[ . 1 . 2 .]" 1
56 1 5 LYS HB2 1 6 LEU H 4.590 . 4.590 3.222 2.528 4.146 . 0 0 "[ . 1 . 2 .]" 1
57 1 5 LYS HB3 1 6 LEU H 4.590 . 4.590 3.814 3.425 4.201 . 0 0 "[ . 1 . 2 .]" 1
58 1 6 LEU H 1 6 LEU HB3 3.520 . 3.520 2.513 2.380 2.644 . 0 0 "[ . 1 . 2 .]" 1
59 1 6 LEU H 1 7 ASN H 3.780 . 3.780 2.559 2.326 2.751 . 0 0 "[ . 1 . 2 .]" 1
60 1 4 THR HB 1 5 LYS H 4.100 . 4.100 3.946 2.249 4.143 0.043 17 0 "[ . 1 . 2 .]" 1
61 1 5 LYS H 1 5 LYS HG2 4.080 . 4.080 2.911 2.116 3.995 . 0 0 "[ . 1 . 2 .]" 1
62 1 5 LYS H 1 5 LYS HG3 4.080 . 4.080 3.414 2.282 4.137 0.057 21 0 "[ . 1 . 2 .]" 1
63 1 15 LYS HG2 1 16 GLU H 5.010 . 5.010 4.391 2.792 4.995 . 0 0 "[ . 1 . 2 .]" 1
64 1 11 GLU H 1 12 ALA H 3.820 . 3.820 2.738 2.571 2.915 . 0 0 "[ . 1 . 2 .]" 1
65 1 15 LYS H 1 16 GLU H 3.680 . 3.680 2.553 2.392 2.703 . 0 0 "[ . 1 . 2 .]" 1
66 1 9 ARG HA 1 12 ALA H 3.870 . 3.870 3.400 3.069 3.881 0.011 21 0 "[ . 1 . 2 .]" 1
67 1 11 GLU HB2 1 12 ALA H 3.970 . 3.970 3.190 2.405 3.763 . 0 0 "[ . 1 . 2 .]" 1
68 1 11 GLU HB3 1 12 ALA H 3.970 . 3.970 3.008 2.245 3.894 . 0 0 "[ . 1 . 2 .]" 1
69 1 15 LYS HB2 1 16 GLU H 4.450 . 4.450 2.979 2.404 4.183 . 0 0 "[ . 1 . 2 .]" 1
70 1 15 LYS HB3 1 16 GLU H 4.450 . 4.450 3.820 3.582 4.098 . 0 0 "[ . 1 . 2 .]" 1
71 1 15 LYS HG3 1 16 GLU H 5.010 . 5.010 4.277 2.501 5.063 0.053 18 0 "[ . 1 . 2 .]" 1
72 1 12 ALA H 1 12 ALA MB 2.980 . 2.980 2.230 2.188 2.261 . 0 0 "[ . 1 . 2 .]" 1
73 1 16 GLU H 1 17 LEU H 3.740 . 3.740 2.511 2.306 2.785 . 0 0 "[ . 1 . 2 .]" 1
74 1 13 LYS HA 1 16 GLU H 3.950 . 3.950 3.295 3.077 3.615 . 0 0 "[ . 1 . 2 .]" 1
75 1 16 GLU H 1 16 GLU HB3 3.930 . 3.930 2.480 2.347 2.784 . 0 0 "[ . 1 . 2 .]" 1
76 1 11 GLU HA 1 13 LYS H 4.460 . 4.460 4.194 3.886 4.464 0.004 20 0 "[ . 1 . 2 .]" 1
77 1 12 ALA H 1 13 LYS H 3.880 . 3.880 2.593 2.431 2.765 . 0 0 "[ . 1 . 2 .]" 1
78 1 13 LYS H 1 13 LYS HB3 3.950 . 3.950 3.114 2.444 3.693 . 0 0 "[ . 1 . 2 .]" 1
79 1 13 LYS H 1 13 LYS HB2 3.950 . 3.950 2.483 2.187 2.737 . 0 0 "[ . 1 . 2 .]" 1
80 1 13 LYS H 1 14 LYS H 4.210 . 4.210 2.413 2.204 2.566 . 0 0 "[ . 1 . 2 .]" 1
81 1 53 LYS HA 1 54 ARG H 3.570 . 3.570 3.185 2.760 3.602 0.032 18 0 "[ . 1 . 2 .]" 1
82 1 57 LEU H 1 58 LEU H 3.510 . 3.510 2.320 2.015 2.601 . 0 0 "[ . 1 . 2 .]" 1
83 1 58 LEU H 1 58 LEU HB2 2.930 . 2.930 2.506 2.402 2.595 . 0 0 "[ . 1 . 2 .]" 1
84 1 58 LEU H 1 58 LEU HB3 3.820 . 3.820 3.647 3.555 3.712 . 0 0 "[ . 1 . 2 .]" 1
85 1 58 LEU H 1 58 LEU MD2 4.470 . 4.470 3.446 2.107 4.289 . 0 0 "[ . 1 . 2 .]" 1
86 1 58 LEU H 1 58 LEU MD1 4.470 . 4.470 3.124 1.931 3.872 . 0 0 "[ . 1 . 2 .]" 1
87 1 37 GLU H 1 37 GLU HB2 3.880 . 3.880 2.475 2.265 2.621 . 0 0 "[ . 1 . 2 .]" 1
88 1 37 GLU H 1 37 GLU HB3 3.880 . 3.880 2.984 2.441 3.645 . 0 0 "[ . 1 . 2 .]" 1
89 1 36 GLN HB2 1 37 GLU H 4.090 . 4.090 2.836 2.481 3.919 . 0 0 "[ . 1 . 2 .]" 1
90 1 19 TYR HB3 1 20 LEU H 4.140 . 4.140 2.549 2.362 2.711 . 0 0 "[ . 1 . 2 .]" 1
91 1 18 ILE MG 1 20 LEU H 5.270 . 5.270 5.040 4.907 5.225 . 0 0 "[ . 1 . 2 .]" 1
92 1 20 LEU H 1 20 LEU MD1 4.090 . 4.090 3.607 3.456 3.715 . 0 0 "[ . 1 . 2 .]" 1
93 1 20 LEU H 1 20 LEU HG 3.730 . 3.730 2.287 2.176 2.428 . 0 0 "[ . 1 . 2 .]" 1
94 1 19 TYR H 1 20 LEU H 3.800 . 3.800 2.683 2.551 2.823 . 0 0 "[ . 1 . 2 .]" 1
95 1 55 TYR H 1 55 TYR QD 3.940 . 3.940 2.579 1.734 4.060 0.120 7 0 "[ . 1 . 2 .]" 1
96 1 54 ARG HA 1 55 TYR H 3.330 . 3.330 2.321 2.039 3.358 0.028 9 0 "[ . 1 . 2 .]" 1
97 1 55 TYR H 1 55 TYR HB2 3.670 . 3.670 2.727 2.376 3.813 0.143 21 0 "[ . 1 . 2 .]" 1
98 1 55 TYR H 1 55 TYR HB3 3.670 . 3.670 3.440 2.472 3.819 0.149 9 0 "[ . 1 . 2 .]" 1
99 1 56 SER HA 1 59 GLU H 4.210 . 4.210 3.749 2.585 4.279 0.069 17 0 "[ . 1 . 2 .]" 1
100 1 59 GLU H 1 59 GLU HG2 3.920 . 3.920 3.063 1.884 3.929 0.009 4 0 "[ . 1 . 2 .]" 1
101 1 58 LEU HB3 1 59 GLU H 4.080 . 4.080 3.513 2.834 4.088 0.008 12 0 "[ . 1 . 2 .]" 1
102 1 52 LYS H 1 52 LYS HA 2.900 . 2.900 2.225 2.163 2.287 . 0 0 "[ . 1 . 2 .]" 1
103 1 58 LEU MD2 1 59 GLU H 4.820 . 4.820 4.352 3.679 4.707 . 0 0 "[ . 1 . 2 .]" 1
104 1 57 LEU H 1 59 GLU H 4.440 . 4.440 4.071 3.677 4.498 0.058 2 0 "[ . 1 . 2 .]" 1
105 1 52 LYS H 1 52 LYS HB3 3.280 . 3.280 3.034 2.881 3.190 . 0 0 "[ . 1 . 2 .]" 1
106 1 41 LEU H 1 42 LEU H 4.010 . 4.010 2.633 2.518 2.753 . 0 0 "[ . 1 . 2 .]" 1
107 1 40 ARG HB2 1 41 LEU H 4.090 . 4.090 3.474 2.381 4.093 0.003 3 0 "[ . 1 . 2 .]" 1
108 1 40 ARG H 1 41 LEU H 3.970 . 3.970 2.667 2.568 2.838 . 0 0 "[ . 1 . 2 .]" 1
109 1 40 ARG HB3 1 41 LEU H 4.090 . 4.090 3.005 2.398 3.859 . 0 0 "[ . 1 . 2 .]" 1
110 1 41 LEU H 1 41 LEU MD1 4.350 . 4.350 3.234 2.250 4.235 . 0 0 "[ . 1 . 2 .]" 1
111 1 21 VAL HB 1 22 GLU H 3.560 . 3.560 2.793 2.617 3.684 0.124 13 0 "[ . 1 . 2 .]" 1
112 1 21 VAL MG2 1 22 GLU H 4.140 . 4.140 3.911 3.809 4.088 . 0 0 "[ . 1 . 2 .]" 1
113 1 21 VAL H 1 22 GLU H 3.770 . 3.770 2.665 2.539 2.796 . 0 0 "[ . 1 . 2 .]" 1
114 1 22 GLU H 1 22 GLU HB3 3.760 . 3.760 3.569 2.515 3.670 . 0 0 "[ . 1 . 2 .]" 1
115 1 21 VAL MG1 1 22 GLU H 4.140 . 4.140 3.441 2.183 3.676 . 0 0 "[ . 1 . 2 .]" 1
116 1 22 GLU H 1 22 GLU HG3 3.980 . 3.980 3.208 2.135 4.089 0.109 7 0 "[ . 1 . 2 .]" 1
117 1 44 LEU HG 1 45 LEU H 4.820 . 4.820 4.466 4.250 4.673 . 0 0 "[ . 1 . 2 .]" 1
118 1 6 LEU HG 1 45 LEU H 4.950 . 4.950 4.690 3.997 4.984 0.034 23 0 "[ . 1 . 2 .]" 1
119 1 45 LEU H 1 45 LEU MD1 4.470 . 4.470 3.320 1.891 4.028 . 0 0 "[ . 1 . 2 .]" 1
120 1 45 LEU H 1 45 LEU MD2 4.470 . 4.470 3.409 1.715 4.171 . 0 0 "[ . 1 . 2 .]" 1
121 1 44 LEU H 1 45 LEU H 3.890 . 3.890 2.674 2.440 2.828 . 0 0 "[ . 1 . 2 .]" 1
122 1 18 ILE HA 1 21 VAL H 4.190 . 4.190 3.531 3.225 3.804 . 0 0 "[ . 1 . 2 .]" 1
123 1 20 LEU HB2 1 21 VAL H 4.100 . 4.100 2.714 2.502 2.915 . 0 0 "[ . 1 . 2 .]" 1
124 1 21 VAL H 1 21 VAL HB 3.570 . 3.570 2.553 2.375 2.648 . 0 0 "[ . 1 . 2 .]" 1
125 1 21 VAL H 1 21 VAL MG1 3.920 . 3.920 3.745 2.376 3.835 . 0 0 "[ . 1 . 2 .]" 1
126 1 20 LEU H 1 21 VAL H 4.250 . 4.250 2.656 2.519 2.767 . 0 0 "[ . 1 . 2 .]" 1
127 1 16 GLU HG3 1 17 LEU H 4.740 . 4.740 4.435 3.686 4.749 0.009 3 0 "[ . 1 . 2 .]" 1
128 1 17 LEU H 1 17 LEU HB3 3.660 . 3.660 2.945 2.480 3.508 . 0 0 "[ . 1 . 2 .]" 1
129 1 16 GLU HG2 1 17 LEU H 4.740 . 4.740 3.903 3.368 4.716 . 0 0 "[ . 1 . 2 .]" 1
130 1 17 LEU H 1 17 LEU HB2 3.800 . 3.800 2.293 2.008 2.530 . 0 0 "[ . 1 . 2 .]" 1
131 1 17 LEU H 1 17 LEU MD1 4.300 . 4.300 3.955 3.636 4.292 . 0 0 "[ . 1 . 2 .]" 1
132 1 17 LEU H 1 18 ILE H 4.150 . 4.150 2.767 2.656 2.875 . 0 0 "[ . 1 . 2 .]" 1
133 1 17 LEU H 1 17 LEU MD2 4.300 . 4.300 3.927 2.428 4.299 . 0 0 "[ . 1 . 2 .]" 1
134 1 41 LEU HB2 1 42 LEU H 4.290 . 4.290 2.763 2.470 3.761 . 0 0 "[ . 1 . 2 .]" 1
135 1 30 LYS H 1 31 VAL H 4.230 . 4.230 2.735 2.581 3.032 . 0 0 "[ . 1 . 2 .]" 1
136 1 31 VAL H 1 32 ILE H 3.750 . 3.750 2.606 2.458 2.845 . 0 0 "[ . 1 . 2 .]" 1
137 1 31 VAL H 1 31 VAL HB 3.810 . 3.810 2.616 2.449 3.702 . 0 0 "[ . 1 . 2 .]" 1
138 1 31 VAL H 1 31 VAL MG2 4.240 . 4.240 2.116 1.959 2.283 . 0 0 "[ . 1 . 2 .]" 1
139 1 48 LEU H 1 48 LEU HB2 3.980 . 3.980 2.404 2.261 2.547 . 0 0 "[ . 1 . 2 .]" 1
140 1 48 LEU H 1 48 LEU HB3 3.980 . 3.980 3.231 2.416 3.668 . 0 0 "[ . 1 . 2 .]" 1
141 1 48 LEU H 1 48 LEU MD2 5.280 . 5.280 2.967 2.012 4.188 . 0 0 "[ . 1 . 2 .]" 1
142 1 13 LYS HB3 1 14 LYS H 4.370 . 4.370 3.223 2.514 3.867 . 0 0 "[ . 1 . 2 .]" 1
143 1 14 LYS H 1 14 LYS HG3 3.990 . 3.990 2.642 2.057 3.676 . 0 0 "[ . 1 . 2 .]" 1
144 1 14 LYS H 1 38 LEU HG 4.880 . 4.880 4.528 3.815 4.961 0.081 1 0 "[ . 1 . 2 .]" 1
145 1 14 LYS H 1 14 LYS HG2 3.990 . 3.990 3.096 1.784 3.755 . 0 0 "[ . 1 . 2 .]" 1
146 1 12 ALA H 1 14 LYS H 4.870 . 4.870 4.096 3.816 4.318 . 0 0 "[ . 1 . 2 .]" 1
147 1 14 LYS H 1 16 GLU H 5.190 . 5.190 3.964 3.779 4.251 . 0 0 "[ . 1 . 2 .]" 1
148 1 40 ARG H 1 40 ARG HB2 3.770 . 3.770 2.544 2.389 2.707 . 0 0 "[ . 1 . 2 .]" 1
149 1 39 ASP H 1 40 ARG H 4.080 . 4.080 2.727 2.610 2.827 . 0 0 "[ . 1 . 2 .]" 1
150 1 40 ARG H 1 40 ARG HB3 3.770 . 3.770 2.895 2.353 3.660 . 0 0 "[ . 1 . 2 .]" 1
151 1 59 GLU HA 1 60 HIS H 3.300 . 3.300 2.718 2.060 3.445 0.145 8 0 "[ . 1 . 2 .]" 1
152 1 60 HIS H 1 60 HIS HB3 3.830 . 3.830 3.169 2.489 3.977 0.147 17 0 "[ . 1 . 2 .]" 1
153 1 59 GLU H 1 60 HIS H 4.080 . 4.080 3.580 2.211 4.195 0.115 9 0 "[ . 1 . 2 .]" 1
154 1 60 HIS H 1 60 HIS HB2 3.830 . 3.830 3.003 2.370 3.720 . 0 0 "[ . 1 . 2 .]" 1
155 1 59 GLU HB2 1 60 HIS H 5.200 . 5.200 3.237 1.688 4.434 . 0 0 "[ . 1 . 2 .]" 1
156 1 59 GLU HB3 1 60 HIS H 5.200 . 5.200 3.449 1.794 4.510 . 0 0 "[ . 1 . 2 .]" 1
157 1 7 ASN H 1 8 ASP H 3.800 . 3.800 2.630 2.409 2.762 . 0 0 "[ . 1 . 2 .]" 1
158 1 8 ASP H 1 8 ASP HB3 3.730 . 3.730 2.536 2.374 3.611 . 0 0 "[ . 1 . 2 .]" 1
159 1 5 LYS HA 1 8 ASP H 3.820 . 3.820 3.159 2.819 3.538 . 0 0 "[ . 1 . 2 .]" 1
160 1 7 ASN HB3 1 8 ASP H 4.130 . 4.130 2.728 2.429 3.588 . 0 0 "[ . 1 . 2 .]" 1
161 1 19 TYR H 1 19 TYR HB3 3.560 . 3.560 2.425 2.334 2.523 . 0 0 "[ . 1 . 2 .]" 1
162 1 18 ILE H 1 19 TYR H 3.720 . 3.720 2.761 2.677 2.866 . 0 0 "[ . 1 . 2 .]" 1
163 1 19 TYR H 1 19 TYR HB2 3.680 . 3.680 2.564 2.234 2.809 . 0 0 "[ . 1 . 2 .]" 1
164 1 18 ILE HB 1 19 TYR H 3.800 . 3.800 2.513 2.119 2.705 . 0 0 "[ . 1 . 2 .]" 1
165 1 18 ILE MG 1 19 TYR H 3.840 . 3.840 3.354 3.195 3.509 . 0 0 "[ . 1 . 2 .]" 1
166 1 38 LEU H 1 39 ASP H 3.990 . 3.990 2.679 2.431 2.898 . 0 0 "[ . 1 . 2 .]" 1
167 1 36 GLN HA 1 39 ASP H 3.990 . 3.990 3.391 3.026 3.654 . 0 0 "[ . 1 . 2 .]" 1
168 1 39 ASP H 1 39 ASP HB3 3.760 . 3.760 2.575 2.368 3.657 . 0 0 "[ . 1 . 2 .]" 1
169 1 38 LEU HB3 1 39 ASP H 4.160 . 4.160 2.614 2.267 3.402 . 0 0 "[ . 1 . 2 .]" 1
170 1 39 ASP H 1 39 ASP HB2 3.760 . 3.760 2.545 2.371 2.665 . 0 0 "[ . 1 . 2 .]" 1
171 1 11 GLU H 1 11 GLU HG2 5.130 . 5.130 3.544 2.038 4.586 . 0 0 "[ . 1 . 2 .]" 1
172 1 11 GLU H 1 11 GLU HG3 5.130 . 5.130 3.880 2.153 4.504 . 0 0 "[ . 1 . 2 .]" 1
173 1 10 ILE MG 1 11 GLU H 4.010 . 4.010 3.339 2.957 3.526 . 0 0 "[ . 1 . 2 .]" 1
174 1 10 ILE H 1 11 GLU H 3.950 . 3.950 2.662 2.494 2.896 . 0 0 "[ . 1 . 2 .]" 1
175 1 10 ILE HB 1 11 GLU H 3.840 . 3.840 2.474 2.229 2.712 . 0 0 "[ . 1 . 2 .]" 1
176 1 8 ASP H 1 11 GLU H 5.040 . 5.040 4.708 4.569 4.857 . 0 0 "[ . 1 . 2 .]" 1
177 1 8 ASP HA 1 11 GLU H 4.110 . 4.110 3.390 3.124 3.798 . 0 0 "[ . 1 . 2 .]" 1
178 1 48 LEU H 1 49 LYS H 4.100 . 4.100 2.659 2.397 2.926 . 0 0 "[ . 1 . 2 .]" 1
179 1 49 LYS H 1 49 LYS HG3 4.950 . 4.950 3.146 2.166 4.552 . 0 0 "[ . 1 . 2 .]" 1
180 1 48 LEU MD1 1 49 LYS H 5.500 . 5.500 4.357 3.230 4.770 . 0 0 "[ . 1 . 2 .]" 1
181 1 48 LEU MD2 1 49 LYS H 5.500 . 5.500 4.322 3.727 4.593 . 0 0 "[ . 1 . 2 .]" 1
182 1 46 ILE H 1 47 GLU H 3.910 . 3.910 2.603 2.430 2.818 . 0 0 "[ . 1 . 2 .]" 1
183 1 45 LEU H 1 46 ILE H 3.920 . 3.920 2.567 2.420 2.728 . 0 0 "[ . 1 . 2 .]" 1
184 1 46 ILE H 1 46 ILE HG13 4.240 . 4.240 2.330 1.877 3.767 . 0 0 "[ . 1 . 2 .]" 1
185 1 46 ILE H 1 46 ILE HG12 4.240 . 4.240 3.447 3.175 4.042 . 0 0 "[ . 1 . 2 .]" 1
186 1 7 ASN H 1 9 ARG H 4.720 . 4.720 4.153 3.993 4.415 . 0 0 "[ . 1 . 2 .]" 1
187 1 4 THR HA 1 7 ASN H 3.970 . 3.970 3.386 3.069 3.720 . 0 0 "[ . 1 . 2 .]" 1
188 1 7 ASN H 1 10 ILE MD 4.160 . 4.160 4.131 3.829 4.216 0.056 5 0 "[ . 1 . 2 .]" 1
189 1 7 ASN H 1 7 ASN HB3 3.630 . 3.630 2.695 2.482 3.633 0.003 6 0 "[ . 1 . 2 .]" 1
190 1 6 LEU HB2 1 7 ASN H 4.010 . 4.010 3.714 3.647 3.826 . 0 0 "[ . 1 . 2 .]" 1
191 1 7 ASN H 1 7 ASN HB2 3.630 . 3.630 2.495 2.369 2.623 . 0 0 "[ . 1 . 2 .]" 1
192 1 6 LEU HG 1 7 ASN H 4.990 . 4.990 3.889 3.590 4.923 . 0 0 "[ . 1 . 2 .]" 1
193 1 14 LYS H 1 15 LYS H 3.810 . 3.810 2.693 2.523 2.908 . 0 0 "[ . 1 . 2 .]" 1
194 1 15 LYS H 1 15 LYS HG2 3.910 . 3.910 2.798 1.969 3.674 . 0 0 "[ . 1 . 2 .]" 1
195 1 15 LYS H 1 15 LYS HG3 3.910 . 3.910 2.949 2.046 3.712 . 0 0 "[ . 1 . 2 .]" 1
196 1 17 LEU HB3 1 18 ILE H 4.030 . 4.030 2.816 2.372 3.262 . 0 0 "[ . 1 . 2 .]" 1
197 1 18 ILE H 1 18 ILE HB 3.540 . 3.540 2.597 2.491 2.856 . 0 0 "[ . 1 . 2 .]" 1
198 1 18 ILE H 1 18 ILE HG12 3.930 . 3.930 3.202 1.783 3.500 . 0 0 "[ . 1 . 2 .]" 1
199 1 23 LYS H 1 24 TYR H 3.800 . 3.800 2.597 2.475 2.827 . 0 0 "[ . 1 . 2 .]" 1
200 1 22 GLU HB2 1 23 LYS H 4.140 . 4.140 2.640 2.347 3.425 . 0 0 "[ . 1 . 2 .]" 1
201 1 23 LYS H 1 23 LYS HG2 4.210 . 4.210 3.144 2.293 4.321 0.111 2 0 "[ . 1 . 2 .]" 1
202 1 22 GLU H 1 23 LYS H 3.710 . 3.710 2.666 2.556 2.771 . 0 0 "[ . 1 . 2 .]" 1
203 1 23 LYS H 1 23 LYS HB2 3.700 . 3.700 2.459 2.231 2.584 . 0 0 "[ . 1 . 2 .]" 1
204 1 23 LYS H 1 23 LYS HB3 3.700 . 3.700 3.438 2.219 3.673 . 0 0 "[ . 1 . 2 .]" 1
205 1 23 LYS H 1 23 LYS HG3 4.210 . 4.210 3.633 2.387 4.312 0.102 14 0 "[ . 1 . 2 .]" 1
206 1 2 ASN HA 1 4 THR H 4.190 . 4.190 3.749 3.054 4.228 0.038 8 0 "[ . 1 . 2 .]" 1
207 1 4 THR H 1 4 THR HB 3.480 . 3.480 2.572 2.432 2.684 . 0 0 "[ . 1 . 2 .]" 1
208 1 3 VAL H 1 4 THR H 3.840 . 3.840 2.615 2.433 2.825 . 0 0 "[ . 1 . 2 .]" 1
209 1 43 ASN H 1 44 LEU HG 4.730 . 4.730 4.345 4.037 4.711 . 0 0 "[ . 1 . 2 .]" 1
210 1 4 THR H 1 4 THR MG 3.660 . 3.660 2.267 1.977 3.594 . 0 0 "[ . 1 . 2 .]" 1
211 1 3 VAL MG1 1 4 THR H 4.190 . 4.190 4.087 3.958 4.188 . 0 0 "[ . 1 . 2 .]" 1
212 1 56 SER H 1 56 SER HB2 4.200 . 4.200 2.950 2.406 3.506 . 0 0 "[ . 1 . 2 .]" 1
213 1 55 TYR QD 1 56 SER H 4.640 . 4.640 4.275 2.762 4.746 0.106 5 0 "[ . 1 . 2 .]" 1
214 1 26 PHE H 1 26 PHE QD 4.210 . 4.210 2.804 1.900 4.227 0.017 11 0 "[ . 1 . 2 .]" 1
215 1 26 PHE H 1 26 PHE HB2 3.870 . 3.870 3.072 2.366 3.872 0.002 12 0 "[ . 1 . 2 .]" 1
216 1 34 PHE HB3 1 35 SER H 4.270 . 4.270 3.779 3.529 3.955 . 0 0 "[ . 1 . 2 .]" 1
217 1 35 SER H 1 36 GLN H 4.090 . 4.090 2.636 2.560 2.821 . 0 0 "[ . 1 . 2 .]" 1
218 1 35 SER H 1 35 SER HB2 3.800 . 3.800 2.502 2.427 2.573 . 0 0 "[ . 1 . 2 .]" 1
219 1 35 SER H 1 35 SER HB3 3.800 . 3.800 3.093 2.482 3.611 . 0 0 "[ . 1 . 2 .]" 1
220 1 21 VAL HA 1 24 TYR H 4.230 . 4.230 3.766 3.404 4.121 . 0 0 "[ . 1 . 2 .]" 1
221 1 23 LYS HB3 1 24 TYR H 4.240 . 4.240 3.446 2.490 3.810 . 0 0 "[ . 1 . 2 .]" 1
222 1 32 ILE MG 1 33 SER H 3.870 . 3.870 3.455 3.243 3.632 . 0 0 "[ . 1 . 2 .]" 1
223 1 32 ILE HB 1 33 SER H 3.720 . 3.720 2.586 2.152 2.801 . 0 0 "[ . 1 . 2 .]" 1
224 1 49 LYS H 1 50 THR H 3.830 . 3.830 2.563 2.377 2.713 . 0 0 "[ . 1 . 2 .]" 1
225 1 50 THR H 1 50 THR HB 3.840 . 3.840 2.668 2.458 3.611 . 0 0 "[ . 1 . 2 .]" 1
226 1 49 LYS HB2 1 50 THR H 4.510 . 4.510 3.126 2.346 4.025 . 0 0 "[ . 1 . 2 .]" 1
227 1 49 LYS HB3 1 50 THR H 4.510 . 4.510 3.505 2.330 4.196 . 0 0 "[ . 1 . 2 .]" 1
228 1 50 THR H 1 50 THR MG 3.960 . 3.960 3.453 2.166 3.790 . 0 0 "[ . 1 . 2 .]" 1
229 1 32 ILE MG 1 36 GLN HE22 3.970 . 3.970 3.260 2.653 3.994 0.024 25 0 "[ . 1 . 2 .]" 1
230 1 32 ILE MG 1 36 GLN HE21 3.970 . 3.970 2.412 1.716 3.228 . 0 0 "[ . 1 . 2 .]" 1
231 1 23 LYS HA 1 25 GLY H 5.000 . 5.000 4.956 4.478 5.060 0.060 8 0 "[ . 1 . 2 .]" 1
232 1 21 VAL HA 1 25 GLY H 3.820 . 3.820 2.692 2.309 3.827 0.007 11 0 "[ . 1 . 2 .]" 1
233 1 24 TYR H 1 25 GLY H 3.710 . 3.710 2.214 2.031 2.619 . 0 0 "[ . 1 . 2 .]" 1
234 1 25 GLY H 1 26 PHE H 4.720 . 4.720 4.220 2.464 4.505 . 0 0 "[ . 1 . 2 .]" 1
235 1 26 PHE H 1 27 THR H 4.640 . 4.640 3.284 2.077 4.561 . 0 0 "[ . 1 . 2 .]" 1
236 1 27 THR H 1 27 THR HB 3.960 . 3.960 3.295 2.553 4.046 0.086 3 0 "[ . 1 . 2 .]" 1
237 1 26 PHE HB3 1 27 THR H 4.810 . 4.810 3.641 1.759 4.556 . 0 0 "[ . 1 . 2 .]" 1
238 1 37 GLU H 1 38 LEU H 4.070 . 4.070 2.592 2.422 2.747 . 0 0 "[ . 1 . 2 .]" 1
239 1 38 LEU H 1 38 LEU HB3 3.870 . 3.870 2.762 2.438 3.594 . 0 0 "[ . 1 . 2 .]" 1
240 1 37 GLU HB2 1 38 LEU H 4.240 . 4.240 3.226 2.365 3.894 . 0 0 "[ . 1 . 2 .]" 1
241 1 38 LEU H 1 38 LEU HB2 3.870 . 3.870 2.362 2.226 2.472 . 0 0 "[ . 1 . 2 .]" 1
242 1 38 LEU H 1 38 LEU HG 4.800 . 4.800 4.369 2.562 4.583 . 0 0 "[ . 1 . 2 .]" 1
243 1 43 ASN H 1 44 LEU HB2 4.850 . 4.850 4.812 4.592 4.875 0.025 22 0 "[ . 1 . 2 .]" 1
244 1 42 LEU H 1 43 ASN H 3.880 . 3.880 2.611 2.507 2.734 . 0 0 "[ . 1 . 2 .]" 1
245 1 43 ASN H 1 44 LEU H 3.710 . 3.710 2.611 2.491 2.687 . 0 0 "[ . 1 . 2 .]" 1
246 1 40 ARG HA 1 43 ASN H 4.280 . 4.280 3.335 2.830 3.664 . 0 0 "[ . 1 . 2 .]" 1
247 1 43 ASN H 1 43 ASN HB3 3.740 . 3.740 3.133 2.485 3.666 . 0 0 "[ . 1 . 2 .]" 1
248 1 43 ASN H 1 43 ASN HB2 3.740 . 3.740 2.404 2.222 2.577 . 0 0 "[ . 1 . 2 .]" 1
249 1 42 LEU HB3 1 43 ASN H 4.100 . 4.100 2.685 2.423 3.661 . 0 0 "[ . 1 . 2 .]" 1
250 1 36 GLN H 1 36 GLN HG2 4.020 . 4.020 3.081 2.017 3.649 . 0 0 "[ . 1 . 2 .]" 1
251 1 36 GLN H 1 37 GLU H 3.850 . 3.850 2.573 2.449 2.661 . 0 0 "[ . 1 . 2 .]" 1
252 1 36 GLN H 1 36 GLN HB2 3.820 . 3.820 2.580 2.404 3.649 . 0 0 "[ . 1 . 2 .]" 1
253 1 36 GLN H 1 36 GLN HG3 4.020 . 4.020 2.694 2.119 3.743 . 0 0 "[ . 1 . 2 .]" 1
254 1 36 GLN H 1 36 GLN HB3 3.820 . 3.820 3.528 2.648 3.631 . 0 0 "[ . 1 . 2 .]" 1
255 1 46 ILE H 1 46 ILE HB 3.680 . 3.680 2.504 2.329 2.613 . 0 0 "[ . 1 . 2 .]" 1
256 1 46 ILE H 1 46 ILE MD 3.560 . 3.560 3.311 1.852 3.600 0.040 12 0 "[ . 1 . 2 .]" 1
257 1 17 LEU HA 1 21 VAL H 4.970 . 4.970 3.899 3.461 4.277 . 0 0 "[ . 1 . 2 .]" 1
258 1 48 LEU HB3 1 49 LYS H 4.710 . 4.710 3.237 2.368 3.818 . 0 0 "[ . 1 . 2 .]" 1
259 1 57 LEU H 1 57 LEU HB3 3.680 . 3.680 3.558 2.467 3.702 0.022 20 0 "[ . 1 . 2 .]" 1
260 1 20 LEU HA 1 23 LYS H 4.120 . 4.120 3.295 3.072 3.576 . 0 0 "[ . 1 . 2 .]" 1
261 1 4 THR H 1 5 LYS H 3.490 . 3.490 2.679 2.359 2.878 . 0 0 "[ . 1 . 2 .]" 1
262 1 10 ILE MG 1 12 ALA H 5.500 . 5.500 4.986 4.724 5.146 . 0 0 "[ . 1 . 2 .]" 1
263 1 16 GLU H 1 18 ILE MD 5.500 . 5.500 5.280 5.015 5.548 0.048 9 0 "[ . 1 . 2 .]" 1
264 1 10 ILE MG 1 13 LYS H 4.540 . 4.540 4.483 4.221 4.617 0.077 17 0 "[ . 1 . 2 .]" 1
265 1 19 TYR HB2 1 20 LEU H 4.250 . 4.250 3.869 3.683 3.956 . 0 0 "[ . 1 . 2 .]" 1
266 1 20 LEU HB3 1 21 VAL H 4.100 . 4.100 3.718 3.578 3.851 . 0 0 "[ . 1 . 2 .]" 1
267 1 20 LEU H 1 22 GLU H 4.280 . 4.280 4.111 3.918 4.294 0.014 13 0 "[ . 1 . 2 .]" 1
268 1 23 LYS H 1 25 GLY H 4.270 . 4.270 3.952 3.677 4.208 . 0 0 "[ . 1 . 2 .]" 1
269 1 26 PHE HB2 1 27 THR H 4.810 . 4.810 3.709 2.150 4.588 . 0 0 "[ . 1 . 2 .]" 1
270 1 34 PHE H 1 35 SER H 3.950 . 3.950 2.564 2.436 2.657 . 0 0 "[ . 1 . 2 .]" 1
271 1 33 SER H 1 34 PHE H 3.880 . 3.880 2.730 2.601 2.985 . 0 0 "[ . 1 . 2 .]" 1
272 1 34 PHE H 1 34 PHE QD 4.080 . 4.080 3.095 2.438 3.328 . 0 0 "[ . 1 . 2 .]" 1
273 1 32 ILE MG 1 36 GLN H 4.210 . 4.210 4.107 3.802 4.245 0.035 23 0 "[ . 1 . 2 .]" 1
274 1 37 GLU HB3 1 38 LEU H 4.240 . 4.240 2.929 2.269 3.701 . 0 0 "[ . 1 . 2 .]" 1
275 1 38 LEU HB2 1 39 ASP H 4.160 . 4.160 3.505 2.580 3.816 . 0 0 "[ . 1 . 2 .]" 1
276 1 41 LEU MD1 1 42 LEU H 5.500 . 5.500 4.379 4.141 4.719 . 0 0 "[ . 1 . 2 .]" 1
277 1 43 ASN HA 1 45 LEU H 4.530 . 4.530 4.118 3.818 4.378 . 0 0 "[ . 1 . 2 .]" 1
278 1 44 LEU HB2 1 45 LEU H 3.820 . 3.820 2.722 2.405 2.983 . 0 0 "[ . 1 . 2 .]" 1
279 1 48 LEU H 1 50 THR H 4.520 . 4.520 4.071 3.852 4.420 . 0 0 "[ . 1 . 2 .]" 1
280 1 53 LYS H 1 54 ARG H 3.590 . 3.590 2.542 2.222 3.082 . 0 0 "[ . 1 . 2 .]" 1
281 1 58 LEU H 1 59 GLU H 3.260 . 3.260 2.341 1.915 2.692 . 0 0 "[ . 1 . 2 .]" 1
282 1 28 HIS H 1 29 HIS H 4.770 . 4.770 4.438 4.195 4.599 . 0 0 "[ . 1 . 2 .]" 1
283 1 36 GLN HB3 1 37 GLU H 4.090 . 4.090 3.770 3.607 4.105 0.015 10 0 "[ . 1 . 2 .]" 1
284 1 35 SER HA 1 38 LEU H 3.990 . 3.990 3.333 3.120 3.522 . 0 0 "[ . 1 . 2 .]" 1
285 1 41 LEU HB3 1 42 LEU H 4.290 . 4.290 3.452 2.521 3.735 . 0 0 "[ . 1 . 2 .]" 1
286 1 19 TYR H 1 20 LEU HG 5.140 . 5.140 4.414 4.231 4.701 . 0 0 "[ . 1 . 2 .]" 1
287 1 32 ILE HA 1 32 ILE MD 4.050 . 4.050 3.730 2.172 3.891 . 0 0 "[ . 1 . 2 .]" 1
288 1 32 ILE HB 1 32 ILE MD 3.620 . 3.620 2.509 2.404 3.253 . 0 0 "[ . 1 . 2 .]" 1
289 1 20 LEU MD2 1 24 TYR QE 3.310 . 3.310 2.099 1.891 2.442 . 0 0 "[ . 1 . 2 .]" 1
290 1 48 LEU HA 1 48 LEU MD2 3.380 . 3.380 2.651 1.933 3.608 0.228 19 0 "[ . 1 . 2 .]" 1
291 1 46 ILE HA 1 46 ILE MD 4.100 . 4.100 3.701 2.705 3.914 . 0 0 "[ . 1 . 2 .]" 1
292 1 46 ILE HB 1 46 ILE MD 3.120 . 3.120 2.438 2.399 2.467 . 0 0 "[ . 1 . 2 .]" 1
293 1 6 LEU HG 1 44 LEU MD1 4.050 . 4.050 3.805 3.359 4.095 0.045 5 0 "[ . 1 . 2 .]" 1
294 1 31 VAL HA 1 31 VAL MG2 3.670 . 3.670 2.448 2.327 3.243 . 0 0 "[ . 1 . 2 .]" 1
295 1 27 THR HA 1 27 THR MG 3.340 . 3.340 2.454 2.188 3.265 . 0 0 "[ . 1 . 2 .]" 1
296 1 3 VAL MG2 1 4 THR MG 3.990 . 3.990 3.908 3.637 4.136 0.146 20 0 "[ . 1 . 2 .]" 1
297 1 6 LEU HA 1 6 LEU HG 4.190 . 4.190 3.232 3.095 3.827 . 0 0 "[ . 1 . 2 .]" 1
298 1 12 ALA MB 1 13 LYS H 3.400 . 3.400 2.723 2.593 2.935 . 0 0 "[ . 1 . 2 .]" 1
299 1 15 LYS HA 1 15 LYS HD2 5.050 . 5.050 3.800 2.083 5.170 0.120 23 0 "[ . 1 . 2 .]" 1
300 1 53 LYS HB2 1 54 ARG H 4.680 . 4.680 4.145 2.935 4.447 . 0 0 "[ . 1 . 2 .]" 1
301 1 53 LYS HB3 1 54 ARG H 5.100 . 5.100 4.303 3.805 4.539 . 0 0 "[ . 1 . 2 .]" 1
302 1 53 LYS H 1 53 LYS HB3 3.500 . 3.500 2.798 2.454 3.318 . 0 0 "[ . 1 . 2 .]" 1
303 1 18 ILE HB 1 18 ILE MD 3.740 . 3.740 2.530 2.406 3.248 . 0 0 "[ . 1 . 2 .]" 1
304 1 22 GLU H 1 22 GLU HB2 3.760 . 3.760 2.489 1.942 2.610 . 0 0 "[ . 1 . 2 .]" 1
305 1 59 GLU HA 1 59 GLU HG3 4.130 . 4.130 3.405 2.867 3.866 . 0 0 "[ . 1 . 2 .]" 1
306 1 21 VAL HA 1 21 VAL MG2 3.480 . 3.480 2.374 2.293 2.442 . 0 0 "[ . 1 . 2 .]" 1
307 1 31 VAL HA 1 31 VAL MG1 3.670 . 3.670 2.435 2.339 2.484 . 0 0 "[ . 1 . 2 .]" 1
308 1 18 ILE HA 1 18 ILE MG 3.280 . 3.280 2.453 2.354 2.558 . 0 0 "[ . 1 . 2 .]" 1
309 1 18 ILE HA 1 18 ILE HG12 3.990 . 3.990 2.622 2.497 3.338 . 0 0 "[ . 1 . 2 .]" 1
310 1 46 ILE HA 1 46 ILE MG 3.270 . 3.270 2.459 2.323 2.655 . 0 0 "[ . 1 . 2 .]" 1
311 1 46 ILE HA 1 46 ILE HG12 3.930 . 3.930 2.744 2.446 3.734 . 0 0 "[ . 1 . 2 .]" 1
312 1 32 ILE HA 1 32 ILE MG 3.460 . 3.460 2.426 2.380 2.505 . 0 0 "[ . 1 . 2 .]" 1
313 1 3 VAL HA 1 3 VAL MG1 3.500 . 3.500 2.336 2.296 2.394 . 0 0 "[ . 1 . 2 .]" 1
314 1 15 LYS HA 1 15 LYS HG3 4.220 . 4.220 3.553 2.876 3.901 . 0 0 "[ . 1 . 2 .]" 1
315 1 15 LYS HA 1 15 LYS HD3 5.050 . 5.050 3.737 2.031 5.334 0.284 25 0 "[ . 1 . 2 .]" 1
316 1 15 LYS HA 1 15 LYS HG2 4.220 . 4.220 3.173 2.387 4.274 0.054 21 0 "[ . 1 . 2 .]" 1
317 1 48 LEU HA 1 48 LEU MD1 3.380 . 3.380 2.416 1.934 3.616 0.236 8 0 "[ . 1 . 2 .]" 1
318 1 59 GLU HA 1 59 GLU HG2 4.130 . 4.130 3.004 2.321 4.169 0.039 17 0 "[ . 1 . 2 .]" 1
319 1 9 ARG HA 1 9 ARG HG3 3.980 . 3.980 3.114 2.499 3.787 . 0 0 "[ . 1 . 2 .]" 1
320 1 9 ARG HA 1 12 ALA MB 4.040 . 4.040 2.704 2.300 3.257 . 0 0 "[ . 1 . 2 .]" 1
321 1 5 LYS HA 1 8 ASP HB3 4.040 . 4.040 2.440 1.956 4.053 0.013 11 0 "[ . 1 . 2 .]" 1
322 1 44 LEU HA 1 47 GLU HB2 4.350 . 4.350 2.876 2.143 3.725 . 0 0 "[ . 1 . 2 .]" 1
323 1 44 LEU HA 1 47 GLU HB3 4.350 . 4.350 3.077 1.967 4.369 0.019 18 0 "[ . 1 . 2 .]" 1
324 1 29 HIS HA 1 32 ILE HB 3.900 . 3.900 2.627 2.112 3.266 . 0 0 "[ . 1 . 2 .]" 1
325 1 7 ASN HA 1 10 ILE HB 3.920 . 3.920 2.751 2.296 3.138 . 0 0 "[ . 1 . 2 .]" 1
326 1 8 ASP HA 1 11 GLU HB2 4.830 . 4.830 2.949 2.585 3.520 . 0 0 "[ . 1 . 2 .]" 1
327 1 56 SER HA 1 57 LEU H 3.520 . 3.520 3.422 2.984 3.538 0.018 15 0 "[ . 1 . 2 .]" 1
328 1 55 TYR HA 1 56 SER HA 5.130 . 5.130 4.723 4.216 5.017 . 0 0 "[ . 1 . 2 .]" 1
329 1 43 ASN HA 1 46 ILE MD 3.500 . 3.500 2.192 1.914 2.765 . 0 0 "[ . 1 . 2 .]" 1
330 1 10 ILE MD 1 42 LEU HA 3.800 . 3.800 2.278 1.923 3.074 . 0 0 "[ . 1 . 2 .]" 1
331 1 10 ILE HB 1 10 ILE MD 3.420 . 3.420 2.425 2.388 2.464 . 0 0 "[ . 1 . 2 .]" 1
332 1 4 THR HA 1 4 THR MG 3.200 . 3.200 3.149 2.257 3.235 0.035 24 0 "[ . 1 . 2 .]" 1
333 1 17 LEU MD1 1 34 PHE QD 4.970 . 4.970 3.926 2.738 5.029 0.059 1 0 "[ . 1 . 2 .]" 1
334 1 17 LEU HA 1 17 LEU MD1 4.460 . 4.460 2.831 1.962 3.825 . 0 0 "[ . 1 . 2 .]" 1
335 1 41 LEU HA 1 44 LEU HB2 4.180 . 4.180 3.031 2.560 3.650 . 0 0 "[ . 1 . 2 .]" 1
336 1 44 LEU HB2 1 44 LEU MD1 3.270 . 3.270 2.330 2.262 2.386 . 0 0 "[ . 1 . 2 .]" 1
337 1 21 VAL HA 1 21 VAL MG1 3.480 . 3.480 2.489 2.416 3.254 . 0 0 "[ . 1 . 2 .]" 1
338 1 29 HIS HA 1 32 ILE MD 3.890 . 3.890 2.461 2.078 3.906 0.016 17 0 "[ . 1 . 2 .]" 1
339 1 20 LEU MD2 1 24 TYR HB2 4.910 . 4.910 4.604 4.072 4.958 0.048 17 0 "[ . 1 . 2 .]" 1
340 1 18 ILE H 1 18 ILE MG 3.980 . 3.980 3.801 3.782 3.830 . 0 0 "[ . 1 . 2 .]" 1
341 1 32 ILE MG 1 33 SER HA 3.700 . 3.700 3.511 3.303 3.676 . 0 0 "[ . 1 . 2 .]" 1
342 1 18 ILE HA 1 18 ILE MD 3.960 . 3.960 3.661 2.187 3.883 . 0 0 "[ . 1 . 2 .]" 1
343 1 21 VAL HA 1 31 VAL MG1 4.340 . 4.340 3.080 2.031 3.804 . 0 0 "[ . 1 . 2 .]" 1
344 1 11 GLU HB2 1 12 ALA MB 5.140 . 5.140 4.585 3.740 5.195 0.055 19 0 "[ . 1 . 2 .]" 1
345 1 11 GLU HB3 1 12 ALA MB 5.140 . 5.140 4.223 3.634 5.051 . 0 0 "[ . 1 . 2 .]" 1
346 1 58 LEU H 1 58 LEU HG 4.260 . 4.260 3.353 2.193 4.289 0.029 6 0 "[ . 1 . 2 .]" 1
347 1 46 ILE HA 1 46 ILE HG13 3.930 . 3.930 2.941 2.444 3.140 . 0 0 "[ . 1 . 2 .]" 1
348 1 48 LEU H 1 48 LEU HG 4.700 . 4.700 4.134 2.353 4.652 . 0 0 "[ . 1 . 2 .]" 1
349 1 41 LEU H 1 41 LEU HG 4.290 . 4.290 3.161 2.231 4.375 0.085 7 0 "[ . 1 . 2 .]" 1
350 1 8 ASP HA 1 11 GLU HB3 4.830 . 4.830 3.571 2.512 4.755 . 0 0 "[ . 1 . 2 .]" 1
351 1 36 GLN HA 1 36 GLN HG2 3.870 . 3.870 2.798 2.456 3.720 . 0 0 "[ . 1 . 2 .]" 1
352 1 36 GLN HA 1 39 ASP HB3 4.350 . 4.350 2.693 2.156 4.309 . 0 0 "[ . 1 . 2 .]" 1
353 1 54 ARG HA 1 54 ARG HD2 5.260 . 5.260 3.724 1.978 4.951 . 0 0 "[ . 1 . 2 .]" 1
354 1 54 ARG HA 1 54 ARG HD3 5.260 . 5.260 3.889 1.906 4.866 . 0 0 "[ . 1 . 2 .]" 1
355 1 6 LEU HA 1 9 ARG HD2 5.300 . 5.300 3.777 2.168 5.291 . 0 0 "[ . 1 . 2 .]" 1
356 1 18 ILE HA 1 18 ILE HG13 3.990 . 3.990 3.090 2.915 3.909 . 0 0 "[ . 1 . 2 .]" 1
357 1 18 ILE HA 1 21 VAL HB 3.840 . 3.840 2.887 2.345 3.868 0.028 13 0 "[ . 1 . 2 .]" 1
358 1 32 ILE HA 1 35 SER HB2 4.750 . 4.750 2.944 2.427 3.620 . 0 0 "[ . 1 . 2 .]" 1
359 1 32 ILE HA 1 35 SER HB3 4.750 . 4.750 3.469 2.458 4.579 . 0 0 "[ . 1 . 2 .]" 1
360 1 3 VAL HA 1 6 LEU HB2 4.220 . 4.220 3.090 2.457 3.989 . 0 0 "[ . 1 . 2 .]" 1
361 1 38 LEU HA 1 41 LEU MD2 4.880 . 4.880 4.090 2.937 4.888 0.008 4 0 "[ . 1 . 2 .]" 1
362 1 38 LEU HA 1 41 LEU MD1 4.880 . 4.880 3.127 2.164 4.909 0.029 5 0 "[ . 1 . 2 .]" 1
363 1 14 LYS HA 1 38 LEU HG 4.370 . 4.370 3.725 2.674 4.407 0.037 1 0 "[ . 1 . 2 .]" 1
364 1 47 GLU HA 1 50 THR HB 4.350 . 4.350 3.105 2.133 4.413 0.063 23 0 "[ . 1 . 2 .]" 1
365 1 16 GLU HA 1 19 TYR H 4.030 . 4.030 3.628 3.280 3.987 . 0 0 "[ . 1 . 2 .]" 1
366 1 16 GLU HA 1 19 TYR HB3 4.150 . 4.150 2.889 2.673 3.170 . 0 0 "[ . 1 . 2 .]" 1
367 1 8 ASP HA 1 9 ARG HA 4.970 . 4.970 4.767 4.667 4.864 . 0 0 "[ . 1 . 2 .]" 1
368 1 9 ARG HA 1 9 ARG HD2 5.440 . 5.440 4.637 2.484 5.495 0.055 25 0 "[ . 1 . 2 .]" 1
369 1 9 ARG HA 1 9 ARG HD3 5.440 . 5.440 4.508 2.244 5.509 0.069 18 0 "[ . 1 . 2 .]" 1
370 1 18 ILE HB 1 19 TYR HA 4.720 . 4.720 4.294 3.752 4.461 . 0 0 "[ . 1 . 2 .]" 1
371 1 7 ASN HA 1 45 LEU MD1 4.440 . 4.440 3.018 2.154 4.147 . 0 0 "[ . 1 . 2 .]" 1
372 1 7 ASN HA 1 45 LEU MD2 4.440 . 4.440 3.149 2.477 4.126 . 0 0 "[ . 1 . 2 .]" 1
373 1 7 ASN HA 1 10 ILE MD 3.690 . 3.690 2.046 1.883 2.409 . 0 0 "[ . 1 . 2 .]" 1
374 1 24 TYR HA 1 24 TYR QD 3.800 . 3.800 2.737 2.143 3.175 . 0 0 "[ . 1 . 2 .]" 1
375 1 55 TYR HA 1 55 TYR QD 3.920 . 3.920 2.904 2.251 3.773 . 0 0 "[ . 1 . 2 .]" 1
376 1 43 ASN HA 1 46 ILE HB 3.640 . 3.640 2.575 2.111 3.399 . 0 0 "[ . 1 . 2 .]" 1
377 1 10 ILE HA 1 10 ILE MD 4.300 . 4.300 3.799 2.685 3.885 . 0 0 "[ . 1 . 2 .]" 1
378 1 3 VAL H 1 3 VAL MG2 3.810 . 3.810 2.075 1.938 2.180 . 0 0 "[ . 1 . 2 .]" 1
379 1 10 ILE MG 1 14 LYS HD2 4.810 . 4.810 2.797 1.943 4.624 . 0 0 "[ . 1 . 2 .]" 1
380 1 10 ILE MG 1 14 LYS HD3 4.810 . 4.810 3.380 2.049 4.603 . 0 0 "[ . 1 . 2 .]" 1
381 1 56 SER H 1 56 SER HB3 4.200 . 4.200 3.034 2.437 3.932 . 0 0 "[ . 1 . 2 .]" 1
382 1 17 LEU HA 1 20 LEU MD1 3.910 . 3.910 2.498 2.040 3.300 . 0 0 "[ . 1 . 2 .]" 1
383 1 9 ARG HA 1 9 ARG HG2 3.980 . 3.980 2.722 2.455 3.832 . 0 0 "[ . 1 . 2 .]" 1
384 1 21 VAL MG1 1 26 PHE HA 5.110 . 5.110 3.371 1.968 4.882 . 0 0 "[ . 1 . 2 .]" 1
385 1 32 ILE H 1 32 ILE MD 4.030 . 4.030 3.531 3.036 3.639 . 0 0 "[ . 1 . 2 .]" 1
386 1 57 LEU H 1 57 LEU MD1 4.520 . 4.520 3.514 1.707 4.474 . 0 0 "[ . 1 . 2 .]" 1
387 1 58 LEU MD1 1 59 GLU H 4.820 . 4.820 4.190 3.430 4.750 . 0 0 "[ . 1 . 2 .]" 1
388 1 20 LEU H 1 20 LEU MD2 3.940 . 3.940 3.310 3.128 3.513 . 0 0 "[ . 1 . 2 .]" 1
389 1 19 TYR QE 1 20 LEU MD2 3.840 . 3.840 3.231 2.780 3.690 . 0 0 "[ . 1 . 2 .]" 1
390 1 20 LEU MD2 1 24 TYR QD 4.070 . 4.070 2.790 2.297 3.491 . 0 0 "[ . 1 . 2 .]" 1
391 1 20 LEU HA 1 20 LEU MD2 3.370 . 3.370 2.062 2.003 2.147 . 0 0 "[ . 1 . 2 .]" 1
392 1 19 TYR HB3 1 20 LEU MD2 4.430 . 4.430 3.856 3.406 4.375 . 0 0 "[ . 1 . 2 .]" 1
393 1 7 ASN HB2 1 45 LEU MD2 5.500 . 5.500 2.888 1.843 4.477 . 0 0 "[ . 1 . 2 .]" 1
394 1 18 ILE H 1 18 ILE MD 3.930 . 3.930 3.495 2.772 3.673 . 0 0 "[ . 1 . 2 .]" 1
395 1 10 ILE MG 1 42 LEU HA 4.490 . 4.490 3.636 2.863 4.535 0.045 17 0 "[ . 1 . 2 .]" 1
396 1 46 ILE H 1 46 ILE MG 4.060 . 4.060 3.760 3.713 3.792 . 0 0 "[ . 1 . 2 .]" 1
397 1 21 VAL MG2 1 26 PHE HA 5.110 . 5.110 3.427 2.040 5.016 . 0 0 "[ . 1 . 2 .]" 1
398 1 44 LEU HA 1 44 LEU MD1 4.040 . 4.040 3.858 3.821 3.891 . 0 0 "[ . 1 . 2 .]" 1
399 1 27 THR MG 1 32 ILE MD 5.030 . 5.030 3.786 1.914 4.958 . 0 0 "[ . 1 . 2 .]" 1
400 1 32 ILE HA 1 32 ILE HG13 4.180 . 4.180 3.094 2.971 3.803 . 0 0 "[ . 1 . 2 .]" 1
401 1 4 THR MG 1 5 LYS H 4.000 . 4.000 2.429 2.199 3.361 . 0 0 "[ . 1 . 2 .]" 1
402 1 50 THR HA 1 50 THR MG 3.420 . 3.420 2.417 2.187 3.239 . 0 0 "[ . 1 . 2 .]" 1
403 1 39 ASP HA 1 42 LEU HB3 4.210 . 4.210 2.917 2.203 4.268 0.058 20 0 "[ . 1 . 2 .]" 1
404 1 40 ARG HA 1 40 ARG HG3 4.140 . 4.140 3.045 2.440 3.807 . 0 0 "[ . 1 . 2 .]" 1
405 1 58 LEU HG 1 59 GLU H 5.470 . 5.470 4.669 3.966 5.499 0.029 12 0 "[ . 1 . 2 .]" 1
406 1 45 LEU HA 1 45 LEU HG 4.230 . 4.230 3.077 2.562 3.814 . 0 0 "[ . 1 . 2 .]" 1
407 1 53 LYS HB2 1 53 LYS HE2 5.200 . 5.200 3.349 1.981 4.679 . 0 0 "[ . 1 . 2 .]" 1
408 1 53 LYS HB2 1 53 LYS HE3 5.200 . 5.200 3.237 1.961 4.828 . 0 0 "[ . 1 . 2 .]" 1
409 1 40 ARG HA 1 40 ARG HG2 4.140 . 4.140 3.278 2.474 3.886 . 0 0 "[ . 1 . 2 .]" 1
410 1 18 ILE MG 1 22 GLU HG3 4.380 . 4.380 3.294 2.461 4.011 . 0 0 "[ . 1 . 2 .]" 1
411 1 36 GLN HA 1 36 GLN HG3 3.870 . 3.870 3.269 2.891 3.817 . 0 0 "[ . 1 . 2 .]" 1
412 1 7 ASN HB2 1 8 ASP H 4.130 . 4.130 3.713 2.539 3.979 . 0 0 "[ . 1 . 2 .]" 1
413 1 7 ASN HB2 1 45 LEU MD1 5.500 . 5.500 3.285 2.041 4.812 . 0 0 "[ . 1 . 2 .]" 1
414 1 20 LEU MD1 1 31 VAL HA 5.010 . 5.010 3.609 2.665 4.767 . 0 0 "[ . 1 . 2 .]" 1
415 1 10 ILE MG 1 11 GLU HA 3.700 . 3.700 3.420 2.942 3.708 0.008 22 0 "[ . 1 . 2 .]" 1
416 1 4 THR HA 1 7 ASN HB3 4.490 . 4.490 2.967 2.364 4.375 . 0 0 "[ . 1 . 2 .]" 1
417 1 4 THR HA 1 7 ASN HB2 4.490 . 4.490 3.339 2.384 4.497 0.007 20 0 "[ . 1 . 2 .]" 1
418 1 15 LYS HA 1 18 ILE MD 3.460 . 3.460 2.531 2.110 3.549 0.089 11 0 "[ . 1 . 2 .]" 1
419 1 16 GLU HA 1 19 TYR HB2 4.250 . 4.250 3.725 3.307 4.250 . 0 0 "[ . 1 . 2 .]" 1
420 1 17 LEU MD2 1 35 SER HA 4.370 . 4.370 2.895 2.061 3.794 . 0 0 "[ . 1 . 2 .]" 1
421 1 5 LYS HA 1 8 ASP HB2 4.040 . 4.040 2.887 2.194 3.788 . 0 0 "[ . 1 . 2 .]" 1
422 1 29 HIS HA 1 32 ILE MG 4.490 . 4.490 3.973 3.579 4.499 0.009 5 0 "[ . 1 . 2 .]" 1
423 1 12 ALA HA 1 15 LYS H 4.240 . 4.240 3.546 3.262 3.929 . 0 0 "[ . 1 . 2 .]" 1
424 1 26 PHE HA 1 26 PHE QD 4.150 . 4.150 3.255 2.398 3.774 . 0 0 "[ . 1 . 2 .]" 1
425 1 6 LEU HB3 1 7 ASN HA 4.160 . 4.160 4.187 4.176 4.205 0.045 6 0 "[ . 1 . 2 .]" 1
426 1 27 THR HA 1 32 ILE MD 3.990 . 3.990 3.107 2.427 4.014 0.024 17 0 "[ . 1 . 2 .]" 1
427 1 10 ILE H 1 10 ILE MD 5.000 . 5.000 3.502 2.083 3.655 . 0 0 "[ . 1 . 2 .]" 1
428 1 3 VAL MG2 1 4 THR H 4.190 . 4.190 2.513 2.330 2.652 . 0 0 "[ . 1 . 2 .]" 1
429 1 3 VAL MG2 1 4 THR HA 3.920 . 3.920 3.367 2.910 3.552 . 0 0 "[ . 1 . 2 .]" 1
430 1 3 VAL HA 1 3 VAL MG2 3.650 . 3.650 3.226 3.202 3.242 . 0 0 "[ . 1 . 2 .]" 1
431 1 3 VAL MG1 1 6 LEU HB2 5.290 . 5.290 4.401 3.783 5.110 . 0 0 "[ . 1 . 2 .]" 1
432 1 17 LEU MD1 1 35 SER HA 4.370 . 4.370 2.924 1.889 4.242 . 0 0 "[ . 1 . 2 .]" 1
433 1 48 LEU H 1 48 LEU MD1 5.280 . 5.280 3.877 3.382 4.326 . 0 0 "[ . 1 . 2 .]" 1
434 1 57 LEU H 1 57 LEU HG 4.710 . 4.710 3.319 2.279 4.617 . 0 0 "[ . 1 . 2 .]" 1
435 1 39 ASP HA 1 42 LEU HB2 4.210 . 4.210 3.423 2.643 3.986 . 0 0 "[ . 1 . 2 .]" 1
436 1 7 ASN HB3 1 45 LEU MD1 5.500 . 5.500 4.432 3.590 5.505 0.005 10 0 "[ . 1 . 2 .]" 1
437 1 7 ASN HB3 1 45 LEU MD2 5.500 . 5.500 4.181 3.457 5.088 . 0 0 "[ . 1 . 2 .]" 1
438 1 31 VAL H 1 31 VAL MG1 4.240 . 4.240 3.644 2.130 3.805 . 0 0 "[ . 1 . 2 .]" 1
439 1 32 ILE HA 1 32 ILE HG12 4.250 . 4.250 2.613 2.518 3.164 . 0 0 "[ . 1 . 2 .]" 1
440 1 2 ASN HB3 1 4 THR H 4.810 . 4.810 3.304 2.713 4.887 0.077 19 0 "[ . 1 . 2 .]" 1
441 1 41 LEU HA 1 41 LEU MD1 4.300 . 4.300 3.201 2.084 3.905 . 0 0 "[ . 1 . 2 .]" 1
442 1 2 ASN HA 1 3 VAL MG1 4.380 . 4.380 3.809 3.549 4.261 . 0 0 "[ . 1 . 2 .]" 1
443 1 10 ILE MG 1 41 LEU HB2 5.070 . 5.070 3.619 2.847 5.075 0.005 7 0 "[ . 1 . 2 .]" 1
444 1 15 LYS HA 1 18 ILE HB 4.270 . 4.270 2.905 2.417 3.412 . 0 0 "[ . 1 . 2 .]" 1
445 1 6 LEU H 1 6 LEU HG 4.810 . 4.810 4.518 4.442 4.596 . 0 0 "[ . 1 . 2 .]" 1
446 1 44 LEU H 1 44 LEU HB3 4.090 . 4.090 3.607 3.590 3.631 . 0 0 "[ . 1 . 2 .]" 1
447 1 41 LEU HA 1 44 LEU HB3 4.930 . 4.930 4.374 3.991 4.840 . 0 0 "[ . 1 . 2 .]" 1
448 1 6 LEU HG 1 44 LEU HB3 4.470 . 4.470 4.355 3.354 4.545 0.075 9 0 "[ . 1 . 2 .]" 1
449 1 6 LEU HG 1 44 LEU HB2 3.960 . 3.960 3.672 3.382 3.974 0.014 1 0 "[ . 1 . 2 .]" 1
450 1 21 VAL H 1 21 VAL MG2 3.920 . 3.920 2.242 2.105 3.751 . 0 0 "[ . 1 . 2 .]" 1
451 1 41 LEU H 1 41 LEU MD2 4.350 . 4.350 3.548 2.332 4.177 . 0 0 "[ . 1 . 2 .]" 1
452 1 41 LEU HA 1 41 LEU MD2 4.300 . 4.300 2.807 2.070 3.898 . 0 0 "[ . 1 . 2 .]" 1
453 1 10 ILE MG 1 41 LEU HB3 5.070 . 5.070 3.820 2.923 4.408 . 0 0 "[ . 1 . 2 .]" 1
454 1 2 ASN HA 1 3 VAL MG2 4.350 . 4.350 3.866 3.564 4.224 . 0 0 "[ . 1 . 2 .]" 1
455 1 17 LEU HA 1 17 LEU MD2 4.460 . 4.460 2.861 1.924 3.883 . 0 0 "[ . 1 . 2 .]" 1
456 1 17 LEU MD2 1 34 PHE QD 4.970 . 4.970 3.896 2.620 5.017 0.047 5 0 "[ . 1 . 2 .]" 1
457 1 44 LEU HB3 1 45 LEU H 4.450 . 4.450 3.661 3.419 3.886 . 0 0 "[ . 1 . 2 .]" 1
458 1 41 LEU HA 1 44 LEU MD1 4.000 . 4.000 2.160 1.980 2.439 . 0 0 "[ . 1 . 2 .]" 1
459 1 32 ILE MD 1 32 ILE MG 2.770 . 2.770 1.971 1.952 2.024 . 0 0 "[ . 1 . 2 .]" 1
460 1 18 ILE MG 1 19 TYR HA 4.570 . 4.570 3.467 3.246 3.642 . 0 0 "[ . 1 . 2 .]" 1
461 1 43 ASN HA 1 46 ILE MG 4.820 . 4.820 3.933 3.572 4.744 . 0 0 "[ . 1 . 2 .]" 1
462 1 46 ILE MG 1 47 GLU HA 4.400 . 4.400 3.477 3.096 3.777 . 0 0 "[ . 1 . 2 .]" 1
463 1 21 VAL HA 1 31 VAL MG2 4.340 . 4.340 3.203 2.238 4.275 . 0 0 "[ . 1 . 2 .]" 1
464 1 52 LYS HA 1 52 LYS HG2 4.180 . 4.180 3.798 3.675 3.884 . 0 0 "[ . 1 . 2 .]" 1
465 1 52 LYS HG3 1 53 LYS HB3 4.230 . 4.230 4.170 3.614 4.379 0.149 16 0 "[ . 1 . 2 .]" 1
466 1 52 LYS HA 1 57 LEU HG 4.170 . 4.170 3.685 1.972 4.280 0.110 1 0 "[ . 1 . 2 .]" 1
467 1 44 LEU HA 1 44 LEU HG 3.860 . 3.860 3.110 2.968 3.206 . 0 0 "[ . 1 . 2 .]" 1
468 1 32 ILE H 1 32 ILE HB 4.030 . 4.030 2.570 2.518 2.640 . 0 0 "[ . 1 . 2 .]" 1
469 1 52 LYS HB2 1 52 LYS HE2 5.500 . 5.500 3.966 2.055 4.818 . 0 0 "[ . 1 . 2 .]" 1
470 1 52 LYS HB2 1 52 LYS HE3 5.500 . 5.500 4.169 2.007 4.746 . 0 0 "[ . 1 . 2 .]" 1
471 1 41 LEU HG 1 42 LEU H 5.190 . 5.190 4.655 3.884 5.217 0.027 18 0 "[ . 1 . 2 .]" 1
472 1 18 ILE MG 1 22 GLU HG2 4.380 . 4.380 3.366 2.473 4.339 . 0 0 "[ . 1 . 2 .]" 1
473 1 39 ASP HB2 1 40 ARG H 4.230 . 4.230 3.784 2.712 4.033 . 0 0 "[ . 1 . 2 .]" 1
474 1 36 GLN HA 1 39 ASP HB2 4.350 . 4.350 3.262 2.522 4.063 . 0 0 "[ . 1 . 2 .]" 1
475 1 19 TYR HB3 1 20 LEU HA 4.430 . 4.430 4.353 4.187 4.442 0.012 7 0 "[ . 1 . 2 .]" 1
476 1 6 LEU HA 1 9 ARG HD3 5.300 . 5.300 3.263 2.204 5.241 . 0 0 "[ . 1 . 2 .]" 1
477 1 10 ILE HA 1 13 LYS H 5.000 . 5.000 3.395 3.187 3.592 . 0 0 "[ . 1 . 2 .]" 1
478 1 31 VAL HA 1 34 PHE QD 4.420 . 4.420 2.217 1.934 2.696 . 0 0 "[ . 1 . 2 .]" 1
479 1 11 GLU HA 1 14 LYS H 4.410 . 4.410 3.486 2.929 3.960 . 0 0 "[ . 1 . 2 .]" 1
480 1 29 HIS HA 1 32 ILE H 4.500 . 4.500 3.348 2.842 3.771 . 0 0 "[ . 1 . 2 .]" 1
481 1 19 TYR HA 1 22 GLU H 4.690 . 4.690 3.625 3.264 4.009 . 0 0 "[ . 1 . 2 .]" 1
482 1 26 PHE H 1 26 PHE HB3 3.870 . 3.870 3.232 2.533 3.749 . 0 0 "[ . 1 . 2 .]" 1
483 1 34 PHE HB2 1 35 SER H 4.270 . 4.270 2.795 2.659 2.973 . 0 0 "[ . 1 . 2 .]" 1
484 1 19 TYR QD 1 20 LEU MD2 3.780 . 3.780 2.391 2.007 2.949 . 0 0 "[ . 1 . 2 .]" 1
485 1 19 TYR HA 1 19 TYR QD 3.650 . 3.650 2.827 2.615 3.109 . 0 0 "[ . 1 . 2 .]" 1
486 1 19 TYR QD 1 20 LEU HG 3.880 . 3.880 3.042 2.377 3.641 . 0 0 "[ . 1 . 2 .]" 1
487 1 19 TYR H 1 19 TYR QD 4.400 . 4.400 4.170 4.059 4.236 . 0 0 "[ . 1 . 2 .]" 1
488 1 24 TYR H 1 24 TYR QD 4.420 . 4.420 2.790 2.162 3.522 . 0 0 "[ . 1 . 2 .]" 1
489 1 63 HIS HA 1 64 HIS H 2.860 . 2.860 2.283 2.024 2.918 0.058 15 0 "[ . 1 . 2 .]" 1
490 1 43 ASN HB2 1 44 LEU H 4.150 . 4.150 3.556 2.768 4.097 . 0 0 "[ . 1 . 2 .]" 1
491 1 47 GLU H 1 47 GLU HG2 5.230 . 5.230 4.003 2.081 4.582 . 0 0 "[ . 1 . 2 .]" 1
492 1 47 GLU H 1 47 GLU HG3 5.230 . 5.230 4.084 2.461 4.486 . 0 0 "[ . 1 . 2 .]" 1
493 1 32 ILE H 1 32 ILE HG13 3.900 . 3.900 2.190 1.961 3.507 . 0 0 "[ . 1 . 2 .]" 1
494 1 52 LYS HA 1 53 LYS H 3.310 . 3.310 3.077 2.621 3.360 0.050 17 0 "[ . 1 . 2 .]" 1
495 1 16 GLU H 1 16 GLU HB2 3.930 . 3.930 2.497 2.281 2.724 . 0 0 "[ . 1 . 2 .]" 1
496 1 57 LEU HA 1 58 LEU H 3.560 . 3.560 3.344 2.993 3.504 . 0 0 "[ . 1 . 2 .]" 1
497 1 37 GLU H 1 37 GLU HG2 4.590 . 4.590 3.822 2.390 4.558 . 0 0 "[ . 1 . 2 .]" 1
498 1 37 GLU H 1 37 GLU HG3 4.590 . 4.590 3.796 2.112 4.497 . 0 0 "[ . 1 . 2 .]" 1
499 1 52 LYS H 1 52 LYS HG2 4.380 . 4.380 3.585 3.149 3.846 . 0 0 "[ . 1 . 2 .]" 1
500 1 58 LEU HA 1 59 GLU H 3.560 . 3.560 3.499 3.275 3.581 0.021 13 0 "[ . 1 . 2 .]" 1
501 1 58 LEU HB2 1 59 GLU H 3.340 . 3.340 2.515 1.745 3.309 . 0 0 "[ . 1 . 2 .]" 1
502 1 59 GLU H 1 59 GLU HG3 3.920 . 3.920 2.855 2.117 3.939 0.019 20 0 "[ . 1 . 2 .]" 1
503 1 22 GLU H 1 22 GLU HG2 3.980 . 3.980 2.741 2.121 3.966 . 0 0 "[ . 1 . 2 .]" 1
504 1 13 LYS HB2 1 14 LYS H 4.370 . 4.370 3.329 2.618 4.094 . 0 0 "[ . 1 . 2 .]" 1
505 1 39 ASP HB3 1 40 ARG H 4.230 . 4.230 2.641 2.324 3.661 . 0 0 "[ . 1 . 2 .]" 1
506 1 8 ASP H 1 8 ASP HB2 3.730 . 3.730 2.546 2.364 2.708 . 0 0 "[ . 1 . 2 .]" 1
507 1 6 LEU HB3 1 7 ASN H 4.110 . 4.110 2.409 2.238 2.716 . 0 0 "[ . 1 . 2 .]" 1
508 1 18 ILE H 1 18 ILE HG13 3.930 . 3.930 2.271 1.988 3.580 . 0 0 "[ . 1 . 2 .]" 1
509 1 22 GLU HB3 1 23 LYS H 4.140 . 4.140 3.561 2.175 3.898 . 0 0 "[ . 1 . 2 .]" 1
510 1 3 VAL HB 1 4 THR H 3.990 . 3.990 3.987 3.849 4.032 0.042 16 0 "[ . 1 . 2 .]" 1
511 1 42 LEU HB2 1 43 ASN H 4.100 . 4.100 3.700 2.652 3.967 . 0 0 "[ . 1 . 2 .]" 1
512 1 23 LYS HB2 1 24 TYR H 4.240 . 4.240 2.914 2.466 4.004 . 0 0 "[ . 1 . 2 .]" 1
513 1 27 THR H 1 27 THR MG 4.040 . 4.040 3.234 2.030 3.972 . 0 0 "[ . 1 . 2 .]" 1
514 1 49 LYS H 1 49 LYS HG2 4.950 . 4.950 3.527 1.932 4.521 . 0 0 "[ . 1 . 2 .]" 1
515 1 17 LEU H 1 17 LEU HG 4.870 . 4.870 3.880 2.666 4.554 . 0 0 "[ . 1 . 2 .]" 1
516 1 45 LEU H 1 46 ILE HB 5.500 . 5.500 4.720 4.470 4.984 . 0 0 "[ . 1 . 2 .]" 1
517 1 57 LEU H 1 57 LEU MD2 4.520 . 4.520 3.449 1.948 4.216 . 0 0 "[ . 1 . 2 .]" 1
518 1 44 LEU H 1 44 LEU HG 4.340 . 4.340 2.402 2.246 2.549 . 0 0 "[ . 1 . 2 .]" 1
519 1 50 THR HB 1 51 LYS H 4.110 . 4.110 3.116 2.487 4.130 0.020 17 0 "[ . 1 . 2 .]" 1
520 1 6 LEU HA 1 9 ARG H 4.590 . 4.590 3.424 3.230 3.681 . 0 0 "[ . 1 . 2 .]" 1
521 1 44 LEU HA 1 47 GLU H 4.160 . 4.160 3.296 2.962 3.741 . 0 0 "[ . 1 . 2 .]" 1
522 1 2 ASN HB2 1 5 LYS H 4.930 . 4.930 3.563 2.601 4.951 0.021 20 0 "[ . 1 . 2 .]" 1
523 1 2 ASN HB3 1 5 LYS H 4.930 . 4.930 3.408 2.512 4.734 . 0 0 "[ . 1 . 2 .]" 1
524 1 16 GLU H 1 17 LEU HB2 5.500 . 5.500 4.539 3.976 5.200 . 0 0 "[ . 1 . 2 .]" 1
525 1 16 GLU H 1 17 LEU HB3 5.500 . 5.500 5.158 4.611 5.600 0.100 3 0 "[ . 1 . 2 .]" 1
526 1 16 GLU H 1 19 TYR HB3 5.430 . 5.430 5.316 5.089 5.491 0.061 9 0 "[ . 1 . 2 .]" 1
527 1 35 SER HA 1 37 GLU H 4.220 . 4.220 4.205 4.006 4.257 0.037 7 0 "[ . 1 . 2 .]" 1
528 1 13 LYS HA 1 17 LEU H 5.070 . 5.070 3.927 3.548 4.196 . 0 0 "[ . 1 . 2 .]" 1
529 1 37 GLU HA 1 40 ARG H 4.160 . 4.160 3.421 3.112 3.732 . 0 0 "[ . 1 . 2 .]" 1
530 1 59 GLU HG2 1 60 HIS H 5.500 . 5.500 4.688 3.775 5.171 . 0 0 "[ . 1 . 2 .]" 1
531 1 59 GLU HG3 1 60 HIS H 5.500 . 5.500 4.517 2.875 5.572 0.072 23 0 "[ . 1 . 2 .]" 1
532 1 49 LYS H 1 49 LYS HD2 5.500 . 5.500 4.256 2.251 5.115 . 0 0 "[ . 1 . 2 .]" 1
533 1 49 LYS H 1 49 LYS HD3 5.500 . 5.500 4.579 2.709 5.088 . 0 0 "[ . 1 . 2 .]" 1
534 1 48 LEU HB2 1 49 LYS H 4.710 . 4.710 3.238 2.497 4.064 . 0 0 "[ . 1 . 2 .]" 1
535 1 43 ASN HA 1 46 ILE H 4.330 . 4.330 3.177 2.894 3.605 . 0 0 "[ . 1 . 2 .]" 1
536 1 2 ASN HB2 1 4 THR H 4.810 . 4.810 4.098 2.358 4.835 0.025 1 0 "[ . 1 . 2 .]" 1
537 1 54 ARG HA 1 56 SER H 4.300 . 4.300 4.022 3.575 4.427 0.127 12 0 "[ . 1 . 2 .]" 1
538 1 30 LYS HA 1 33 SER H 4.200 . 4.200 3.434 2.951 3.907 . 0 0 "[ . 1 . 2 .]" 1
539 1 32 ILE HG13 1 33 SER H 4.340 . 4.340 4.217 4.009 4.426 0.086 17 0 "[ . 1 . 2 .]" 1
540 1 6 LEU H 1 6 LEU HB2 3.710 . 3.710 2.462 2.362 2.524 . 0 0 "[ . 1 . 2 .]" 1
541 1 41 LEU MD2 1 42 LEU H 5.500 . 5.500 4.668 4.245 4.870 . 0 0 "[ . 1 . 2 .]" 1
542 1 64 HIS H 1 64 HIS HB2 3.450 . 3.450 2.912 2.345 3.600 0.150 10 0 "[ . 1 . 2 .]" 1
543 1 10 ILE H 1 10 ILE HG13 4.420 . 4.420 2.158 1.917 3.758 . 0 0 "[ . 1 . 2 .]" 1
544 1 45 LEU H 1 46 ILE HA 5.500 . 5.500 5.218 5.092 5.349 . 0 0 "[ . 1 . 2 .]" 1
545 1 33 SER H 1 34 PHE QD 5.340 . 5.340 4.987 4.225 5.314 . 0 0 "[ . 1 . 2 .]" 1
546 1 34 PHE HA 1 34 PHE QD 4.000 . 4.000 2.299 2.099 2.856 . 0 0 "[ . 1 . 2 .]" 1
547 1 16 GLU HA 1 19 TYR QD 4.590 . 4.590 4.247 3.790 4.544 . 0 0 "[ . 1 . 2 .]" 1
548 1 20 LEU HA 1 24 TYR QE 4.210 . 4.210 3.503 2.776 4.226 0.016 7 0 "[ . 1 . 2 .]" 1
549 1 20 LEU HA 1 24 TYR QD 3.960 . 3.960 2.641 2.105 3.923 . 0 0 "[ . 1 . 2 .]" 1
550 1 20 LEU HG 1 34 PHE QE 5.220 . 5.220 5.178 4.949 5.270 0.050 2 0 "[ . 1 . 2 .]" 1
551 1 20 LEU MD1 1 34 PHE QD 3.900 . 3.900 2.426 1.981 2.997 . 0 0 "[ . 1 . 2 .]" 1
552 1 20 LEU MD1 1 24 TYR QE 4.230 . 4.230 4.076 2.282 4.276 0.046 15 0 "[ . 1 . 2 .]" 1
553 1 20 LEU MD1 1 34 PHE QE 4.380 . 4.380 2.512 2.194 2.949 . 0 0 "[ . 1 . 2 .]" 1
554 1 28 HIS HD2 1 30 LYS H 4.300 . 4.300 2.463 1.688 4.236 . 0 0 "[ . 1 . 2 .]" 1
555 1 2 ASN QB 1 3 VAL H 3.970 . 3.970 3.305 2.285 3.879 . 0 0 "[ . 1 . 2 .]" 1
556 1 2 ASN QB 1 3 VAL HA 5.320 . 5.320 4.607 4.356 4.996 . 0 0 "[ . 1 . 2 .]" 1
557 1 2 ASN QB 1 4 THR H 4.220 . 4.220 3.075 2.343 4.022 . 0 0 "[ . 1 . 2 .]" 1
558 1 2 ASN QB 1 5 LYS H 4.310 . 4.310 2.972 2.353 3.793 . 0 0 "[ . 1 . 2 .]" 1
559 1 2 ASN QB 1 5 LYS QB 4.200 . 4.200 3.154 1.976 4.389 0.189 2 0 "[ . 1 . 2 .]" 1
560 1 4 THR H 1 5 LYS QB 5.320 . 5.320 4.739 4.415 5.239 . 0 0 "[ . 1 . 2 .]" 1
561 1 4 THR MG 1 5 LYS QB 4.050 . 4.050 3.606 3.173 4.232 0.182 20 0 "[ . 1 . 2 .]" 1
562 1 5 LYS H 1 5 LYS QB 3.260 . 3.260 2.405 2.002 2.799 . 0 0 "[ . 1 . 2 .]" 1
563 1 5 LYS H 1 5 LYS QG 3.530 . 3.530 2.536 2.092 3.602 0.072 13 0 "[ . 1 . 2 .]" 1
564 1 5 LYS QB 1 6 LEU H 3.810 . 3.810 3.029 2.479 3.633 . 0 0 "[ . 1 . 2 .]" 1
565 1 5 LYS QG 1 6 LEU H 4.820 . 4.820 3.772 2.256 4.662 . 0 0 "[ . 1 . 2 .]" 1
566 1 6 LEU H 1 6 LEU QD 3.700 . 3.700 3.686 3.622 3.718 0.018 5 0 "[ . 1 . 2 .]" 1
567 1 6 LEU HA 1 6 LEU QD 3.710 . 3.710 2.077 2.018 2.134 . 0 0 "[ . 1 . 2 .]" 1
568 1 6 LEU HA 1 9 ARG QB 3.970 . 3.970 3.035 2.601 3.735 . 0 0 "[ . 1 . 2 .]" 1
569 1 6 LEU HA 1 9 ARG QG 4.610 . 4.610 3.080 2.043 4.222 . 0 0 "[ . 1 . 2 .]" 1
570 1 6 LEU HA 1 9 ARG QD 4.620 . 4.620 2.850 2.157 4.571 . 0 0 "[ . 1 . 2 .]" 1
571 1 6 LEU QD 1 9 ARG H 5.440 . 5.440 4.414 4.027 4.748 . 0 0 "[ . 1 . 2 .]" 1
572 1 6 LEU QD 1 9 ARG QB 4.000 . 4.000 3.117 2.595 4.075 0.075 18 0 "[ . 1 . 2 .]" 1
573 1 6 LEU QD 1 9 ARG QD 4.850 . 4.850 2.786 2.132 4.679 . 0 0 "[ . 1 . 2 .]" 1
574 1 6 LEU QD 1 44 LEU HA 4.610 . 4.610 4.076 3.795 4.608 . 0 0 "[ . 1 . 2 .]" 1
575 1 6 LEU QD 1 44 LEU HB2 3.820 . 3.820 2.251 1.940 2.732 . 0 0 "[ . 1 . 2 .]" 1
576 1 6 LEU QD 1 44 LEU HB3 3.540 . 3.540 2.187 2.034 3.040 . 0 0 "[ . 1 . 2 .]" 1
577 1 6 LEU QD 1 45 LEU HA 4.360 . 4.360 3.193 2.113 4.008 . 0 0 "[ . 1 . 2 .]" 1
578 1 7 ASN H 1 45 LEU QD 4.230 . 4.230 3.163 2.587 4.145 . 0 0 "[ . 1 . 2 .]" 1
579 1 7 ASN HA 1 45 LEU QD 3.660 . 3.660 2.669 2.094 3.417 . 0 0 "[ . 1 . 2 .]" 1
580 1 7 ASN QB 1 8 ASP H 3.450 . 3.450 2.589 2.398 2.758 . 0 0 "[ . 1 . 2 .]" 1
581 1 7 ASN QB 1 10 ILE MD 4.590 . 4.590 3.612 3.195 4.010 . 0 0 "[ . 1 . 2 .]" 1
582 1 7 ASN QB 1 45 LEU QD 3.750 . 3.750 2.541 1.824 3.659 . 0 0 "[ . 1 . 2 .]" 1
583 1 7 ASN QD 1 45 LEU QD 3.950 . 3.950 3.055 1.929 4.030 0.080 3 0 "[ . 1 . 2 .]" 1
584 1 8 ASP HA 1 11 GLU QB 4.040 . 4.040 2.681 2.392 3.030 . 0 0 "[ . 1 . 2 .]" 1
585 1 9 ARG H 1 9 ARG QB 3.210 . 3.210 2.443 2.199 2.568 . 0 0 "[ . 1 . 2 .]" 1
586 1 9 ARG HA 1 9 ARG QG 3.460 . 3.460 2.527 2.302 3.355 . 0 0 "[ . 1 . 2 .]" 1
587 1 9 ARG HA 1 9 ARG QD 4.650 . 4.650 4.047 2.165 4.548 . 0 0 "[ . 1 . 2 .]" 1
588 1 9 ARG QB 1 10 ILE H 3.610 . 3.610 2.678 2.243 3.625 0.015 18 0 "[ . 1 . 2 .]" 1
589 1 9 ARG QB 1 41 LEU QD 4.090 . 4.090 2.874 2.015 3.735 . 0 0 "[ . 1 . 2 .]" 1
590 1 9 ARG QD 1 41 LEU QD 4.850 . 4.850 3.743 2.239 4.875 0.025 21 0 "[ . 1 . 2 .]" 1
591 1 10 ILE H 1 10 ILE QG 3.840 . 3.840 2.126 1.902 3.420 . 0 0 "[ . 1 . 2 .]" 1
592 1 10 ILE H 1 41 LEU QD 4.800 . 4.800 3.715 3.054 4.622 . 0 0 "[ . 1 . 2 .]" 1
593 1 10 ILE HA 1 13 LYS QB 3.840 . 3.840 2.692 2.308 3.065 . 0 0 "[ . 1 . 2 .]" 1
594 1 10 ILE HA 1 41 LEU QD 4.460 . 4.460 2.808 2.237 4.057 . 0 0 "[ . 1 . 2 .]" 1
595 1 10 ILE MG 1 14 LYS QD 4.010 . 4.010 2.550 1.850 3.767 . 0 0 "[ . 1 . 2 .]" 1
596 1 10 ILE MG 1 14 LYS QE 3.590 . 3.590 2.932 1.835 3.712 0.122 15 0 "[ . 1 . 2 .]" 1
597 1 10 ILE MG 1 41 LEU QB 4.440 . 4.440 3.250 2.615 3.699 . 0 0 "[ . 1 . 2 .]" 1
598 1 10 ILE QG 1 41 LEU QB 4.410 . 4.410 1.996 1.796 3.068 . 0 0 "[ . 1 . 2 .]" 1
599 1 10 ILE QG 1 42 LEU H 4.770 . 4.770 3.889 3.146 4.798 0.028 23 0 "[ . 1 . 2 .]" 1
600 1 10 ILE MD 1 41 LEU QB 5.340 . 5.340 2.719 2.160 3.772 . 0 0 "[ . 1 . 2 .]" 1
601 1 11 GLU H 1 11 GLU QB 3.570 . 3.570 2.315 2.108 2.535 . 0 0 "[ . 1 . 2 .]" 1
602 1 11 GLU H 1 11 GLU QG 4.410 . 4.410 3.127 2.025 4.037 . 0 0 "[ . 1 . 2 .]" 1
603 1 11 GLU HA 1 14 LYS QD 3.960 . 3.960 2.267 1.847 4.046 0.086 24 0 "[ . 1 . 2 .]" 1
604 1 11 GLU QB 1 12 ALA H 3.480 . 3.480 2.502 2.217 2.879 . 0 0 "[ . 1 . 2 .]" 1
605 1 11 GLU QB 1 12 ALA MB 4.510 . 4.510 3.737 3.545 4.091 . 0 0 "[ . 1 . 2 .]" 1
606 1 11 GLU QG 1 12 ALA H 4.610 . 4.610 3.889 3.376 4.289 . 0 0 "[ . 1 . 2 .]" 1
607 1 12 ALA HA 1 15 LYS QB 3.830 . 3.830 3.182 2.745 3.919 0.089 6 0 "[ . 1 . 2 .]" 1
608 1 13 LYS H 1 13 LYS QB 3.430 . 3.430 2.328 2.116 2.513 . 0 0 "[ . 1 . 2 .]" 1
609 1 13 LYS H 1 13 LYS QG 4.340 . 4.340 3.315 2.267 4.097 . 0 0 "[ . 1 . 2 .]" 1
610 1 13 LYS H 1 14 LYS QG 4.430 . 4.430 3.968 3.565 4.331 . 0 0 "[ . 1 . 2 .]" 1
611 1 13 LYS H 1 14 LYS QD 4.980 . 4.980 5.035 4.921 5.189 0.209 7 0 "[ . 1 . 2 .]" 1
612 1 13 LYS HA 1 16 GLU QB 4.480 . 4.480 2.395 1.987 2.770 . 0 0 "[ . 1 . 2 .]" 1
613 1 13 LYS QB 1 14 LYS H 3.740 . 3.740 2.710 2.482 2.967 . 0 0 "[ . 1 . 2 .]" 1
614 1 13 LYS QB 1 38 LEU QD 4.550 . 4.550 2.331 1.746 3.895 . 0 0 "[ . 1 . 2 .]" 1
615 1 14 LYS H 1 14 LYS QB 3.610 . 3.610 2.478 2.313 2.807 . 0 0 "[ . 1 . 2 .]" 1
616 1 14 LYS H 1 38 LEU QD 4.620 . 4.620 2.985 2.438 4.063 . 0 0 "[ . 1 . 2 .]" 1
617 1 14 LYS HA 1 38 LEU QD 4.370 . 4.370 2.729 1.887 3.448 . 0 0 "[ . 1 . 2 .]" 1
618 1 14 LYS QB 1 14 LYS QD 3.330 . 3.330 2.232 2.006 2.684 . 0 0 "[ . 1 . 2 .]" 1
619 1 14 LYS QB 1 14 LYS QE 3.590 . 3.590 2.681 1.949 3.633 0.043 10 0 "[ . 1 . 2 .]" 1
620 1 15 LYS H 1 15 LYS QB 3.130 . 3.130 2.503 2.341 2.683 . 0 0 "[ . 1 . 2 .]" 1
621 1 15 LYS H 1 15 LYS QD 4.410 . 4.410 3.525 2.858 3.941 . 0 0 "[ . 1 . 2 .]" 1
622 1 15 LYS HA 1 15 LYS QG 3.610 . 3.610 2.926 2.277 3.548 . 0 0 "[ . 1 . 2 .]" 1
623 1 15 LYS HA 1 15 LYS QD 4.390 . 4.390 3.151 1.998 4.395 0.005 25 0 "[ . 1 . 2 .]" 1
624 1 15 LYS HA 1 15 LYS QE 4.130 . 4.130 3.735 2.443 4.305 0.175 9 0 "[ . 1 . 2 .]" 1
625 1 15 LYS QB 1 16 GLU H 3.680 . 3.680 2.843 2.376 3.685 0.005 14 0 "[ . 1 . 2 .]" 1
626 1 15 LYS QE 1 15 LYS QG 2.840 . 2.840 2.439 2.021 2.873 0.033 23 0 "[ . 1 . 2 .]" 1
627 1 15 LYS QG 1 16 GLU H 4.410 . 4.410 3.715 2.333 4.108 . 0 0 "[ . 1 . 2 .]" 1
628 1 16 GLU H 1 16 GLU QB 3.300 . 3.300 2.206 2.130 2.274 . 0 0 "[ . 1 . 2 .]" 1
629 1 16 GLU H 1 16 GLU QG 4.440 . 4.440 3.968 3.906 4.066 . 0 0 "[ . 1 . 2 .]" 1
630 1 16 GLU QB 1 17 LEU H 4.270 . 4.270 2.371 2.205 2.567 . 0 0 "[ . 1 . 2 .]" 1
631 1 16 GLU QG 1 17 LEU H 3.930 . 3.930 3.574 3.277 3.936 0.006 24 0 "[ . 1 . 2 .]" 1
632 1 16 GLU QG 1 20 LEU MD1 4.490 . 4.490 2.375 1.921 2.985 . 0 0 "[ . 1 . 2 .]" 1
633 1 16 GLU QG 1 20 LEU MD2 4.150 . 4.150 3.374 2.872 4.159 0.009 12 0 "[ . 1 . 2 .]" 1
634 1 17 LEU HA 1 17 LEU QD 3.360 . 3.360 2.025 1.878 2.414 . 0 0 "[ . 1 . 2 .]" 1
635 1 17 LEU HA 1 20 LEU QB 4.210 . 4.210 2.531 2.168 3.054 . 0 0 "[ . 1 . 2 .]" 1
636 1 17 LEU HA 1 21 VAL QG 4.200 . 4.200 3.715 3.444 4.284 0.084 13 0 "[ . 1 . 2 .]" 1
637 1 17 LEU HB3 1 18 ILE QG 3.950 . 3.950 3.642 3.125 4.053 0.103 9 0 "[ . 1 . 2 .]" 1
638 1 17 LEU HB3 1 21 VAL QG 4.510 . 4.510 3.757 3.010 4.391 . 0 0 "[ . 1 . 2 .]" 1
639 1 17 LEU QD 1 20 LEU H 4.650 . 4.650 4.307 4.044 4.535 . 0 0 "[ . 1 . 2 .]" 1
640 1 17 LEU QD 1 20 LEU MD1 3.690 . 3.690 2.710 2.047 3.626 . 0 0 "[ . 1 . 2 .]" 1
641 1 17 LEU QD 1 21 VAL H 4.080 . 4.080 3.874 3.413 4.140 0.060 3 0 "[ . 1 . 2 .]" 1
642 1 17 LEU QD 1 34 PHE H 4.170 . 4.170 3.841 3.603 4.193 0.023 17 0 "[ . 1 . 2 .]" 1
643 1 17 LEU QD 1 34 PHE QB 3.920 . 3.920 1.929 1.780 2.327 . 0 0 "[ . 1 . 2 .]" 1
644 1 17 LEU QD 1 34 PHE QD 3.500 . 3.500 2.975 2.602 3.368 . 0 0 "[ . 1 . 2 .]" 1
645 1 17 LEU QD 1 34 PHE QE 4.650 . 4.650 4.634 4.358 4.812 0.162 24 0 "[ . 1 . 2 .]" 1
646 1 17 LEU QD 1 35 SER H 4.140 . 4.140 2.904 2.651 3.311 . 0 0 "[ . 1 . 2 .]" 1
647 1 17 LEU QD 1 35 SER HA 3.750 . 3.750 2.312 1.880 3.163 . 0 0 "[ . 1 . 2 .]" 1
648 1 17 LEU QD 1 35 SER QB 4.010 . 4.010 2.891 2.183 3.568 . 0 0 "[ . 1 . 2 .]" 1
649 1 18 ILE H 1 18 ILE QG 3.380 . 3.380 2.060 1.777 2.216 . 0 0 "[ . 1 . 2 .]" 1
650 1 18 ILE H 1 21 VAL QG 4.290 . 4.290 4.246 3.969 4.314 0.024 20 0 "[ . 1 . 2 .]" 1
651 1 18 ILE HA 1 18 ILE QG 3.470 . 3.470 2.486 2.362 3.161 . 0 0 "[ . 1 . 2 .]" 1
652 1 18 ILE QG 1 18 ILE MG 3.230 . 3.230 2.320 2.277 2.364 . 0 0 "[ . 1 . 2 .]" 1
653 1 18 ILE MG 1 22 GLU QG 3.660 . 3.660 2.869 2.326 3.678 0.018 7 0 "[ . 1 . 2 .]" 1
654 1 19 TYR HA 1 22 GLU QB 3.950 . 3.950 2.989 2.388 3.603 . 0 0 "[ . 1 . 2 .]" 1
655 1 19 TYR HA 1 22 GLU QG 4.340 . 4.340 3.157 2.462 3.748 . 0 0 "[ . 1 . 2 .]" 1
656 1 19 TYR QD 1 20 LEU QB 4.720 . 4.720 4.428 4.145 4.715 . 0 0 "[ . 1 . 2 .]" 1
657 1 20 LEU H 1 20 LEU QB 3.600 . 3.600 2.453 2.356 2.528 . 0 0 "[ . 1 . 2 .]" 1
658 1 20 LEU H 1 21 VAL QG 4.220 . 4.220 4.094 3.891 4.226 0.006 13 0 "[ . 1 . 2 .]" 1
659 1 20 LEU QB 1 21 VAL H 3.600 . 3.600 2.650 2.460 2.823 . 0 0 "[ . 1 . 2 .]" 1
660 1 20 LEU QB 1 21 VAL QG 4.280 . 4.280 3.331 3.057 4.207 . 0 0 "[ . 1 . 2 .]" 1
661 1 20 LEU QB 1 31 VAL QG 4.840 . 4.840 2.324 1.811 3.525 . 0 0 "[ . 1 . 2 .]" 1
662 1 20 LEU MD1 1 31 VAL QG 4.670 . 4.670 3.148 2.172 4.470 . 0 0 "[ . 1 . 2 .]" 1
663 1 20 LEU MD1 1 34 PHE QB 4.630 . 4.630 3.218 2.750 3.881 . 0 0 "[ . 1 . 2 .]" 1
664 1 21 VAL H 1 21 VAL QG 3.180 . 3.180 2.174 2.096 2.352 . 0 0 "[ . 1 . 2 .]" 1
665 1 21 VAL HA 1 21 VAL QG 3.010 . 3.010 2.155 2.131 2.250 . 0 0 "[ . 1 . 2 .]" 1
666 1 21 VAL HA 1 31 VAL QG 3.690 . 3.690 2.711 2.016 3.265 . 0 0 "[ . 1 . 2 .]" 1
667 1 21 VAL QG 1 22 GLU H 3.600 . 3.600 3.216 2.171 3.378 . 0 0 "[ . 1 . 2 .]" 1
668 1 21 VAL QG 1 22 GLU HA 4.120 . 4.120 3.460 3.124 3.683 . 0 0 "[ . 1 . 2 .]" 1
669 1 21 VAL QG 1 26 PHE H 4.470 . 4.470 3.483 2.087 4.519 0.049 16 0 "[ . 1 . 2 .]" 1
670 1 21 VAL QG 1 26 PHE HA 3.910 . 3.910 2.890 1.941 3.980 0.070 21 0 "[ . 1 . 2 .]" 1
671 1 21 VAL QG 1 26 PHE QD 4.620 . 4.620 2.867 1.924 4.587 . 0 0 "[ . 1 . 2 .]" 1
672 1 21 VAL QG 1 31 VAL QG 3.320 . 3.320 2.129 1.768 2.950 . 0 0 "[ . 1 . 2 .]" 1
673 1 22 GLU H 1 22 GLU QB 3.100 . 3.100 2.444 1.881 2.555 . 0 0 "[ . 1 . 2 .]" 1
674 1 22 GLU H 1 22 GLU QG 3.490 . 3.490 2.318 2.106 3.585 0.095 7 0 "[ . 1 . 2 .]" 1
675 1 22 GLU HA 1 22 GLU QG 3.690 . 3.690 2.741 2.354 3.050 . 0 0 "[ . 1 . 2 .]" 1
676 1 22 GLU QB 1 23 LYS H 3.600 . 3.600 2.533 2.152 2.867 . 0 0 "[ . 1 . 2 .]" 1
677 1 23 LYS H 1 23 LYS QB 3.220 . 3.220 2.382 2.058 2.535 . 0 0 "[ . 1 . 2 .]" 1
678 1 23 LYS HA 1 23 LYS QG 3.610 . 3.610 2.712 2.248 3.051 . 0 0 "[ . 1 . 2 .]" 1
679 1 23 LYS HA 1 23 LYS QD 4.160 . 4.160 2.677 1.930 4.177 0.017 12 0 "[ . 1 . 2 .]" 1
680 1 23 LYS HA 1 23 LYS QE 5.340 . 5.340 3.890 2.480 5.063 . 0 0 "[ . 1 . 2 .]" 1
681 1 23 LYS QB 1 24 TYR H 3.640 . 3.640 2.632 2.422 3.116 . 0 0 "[ . 1 . 2 .]" 1
682 1 23 LYS QE 1 23 LYS QG 3.260 . 3.260 2.356 2.125 2.792 . 0 0 "[ . 1 . 2 .]" 1
683 1 23 LYS QG 1 24 TYR H 4.870 . 4.870 4.100 3.329 4.623 . 0 0 "[ . 1 . 2 .]" 1
684 1 24 TYR H 1 25 GLY QA 4.940 . 4.940 4.133 3.928 4.421 . 0 0 "[ . 1 . 2 .]" 1
685 1 24 TYR H 1 31 VAL QG 5.170 . 5.170 3.955 3.457 4.764 . 0 0 "[ . 1 . 2 .]" 1
686 1 24 TYR HB2 1 31 VAL QG 4.060 . 4.060 2.476 1.969 3.543 . 0 0 "[ . 1 . 2 .]" 1
687 1 24 TYR HB3 1 31 VAL QG 4.420 . 4.420 3.206 2.637 4.423 0.003 12 0 "[ . 1 . 2 .]" 1
688 1 24 TYR QD 1 31 VAL QG 3.980 . 3.980 3.171 2.266 3.992 0.012 25 0 "[ . 1 . 2 .]" 1
689 1 25 GLY H 1 31 VAL QG 3.910 . 3.910 3.425 2.798 3.947 0.037 11 0 "[ . 1 . 2 .]" 1
690 1 25 GLY QA 1 26 PHE HA 4.390 . 4.390 3.946 3.843 4.478 0.088 11 0 "[ . 1 . 2 .]" 1
691 1 26 PHE H 1 26 PHE QB 3.280 . 3.280 2.637 2.286 3.109 . 0 0 "[ . 1 . 2 .]" 1
692 1 26 PHE HA 1 31 VAL QG 3.770 . 3.770 2.699 1.819 3.784 0.014 17 0 "[ . 1 . 2 .]" 1
693 1 26 PHE QB 1 27 THR H 4.160 . 4.160 3.120 1.748 4.010 . 0 0 "[ . 1 . 2 .]" 1
694 1 28 HIS H 1 31 VAL QG 4.430 . 4.430 3.326 1.974 3.954 . 0 0 "[ . 1 . 2 .]" 1
695 1 28 HIS HD2 1 30 LYS QB 4.370 . 4.370 2.278 1.841 3.987 . 0 0 "[ . 1 . 2 .]" 1
696 1 28 HIS HD2 1 30 LYS QG 3.570 . 3.570 3.093 2.038 3.633 0.063 21 0 "[ . 1 . 2 .]" 1
697 1 29 HIS H 1 29 HIS QB 3.560 . 3.560 2.410 2.201 2.620 . 0 0 "[ . 1 . 2 .]" 1
698 1 29 HIS QB 1 30 LYS H 4.330 . 4.330 2.771 2.358 3.525 . 0 0 "[ . 1 . 2 .]" 1
699 1 30 LYS HA 1 30 LYS QD 4.070 . 4.070 3.096 1.944 4.182 0.112 16 0 "[ . 1 . 2 .]" 1
700 1 30 LYS QB 1 31 VAL H 3.970 . 3.970 2.595 2.169 3.693 . 0 0 "[ . 1 . 2 .]" 1
701 1 31 VAL H 1 31 VAL QG 3.280 . 3.280 2.085 1.934 2.219 . 0 0 "[ . 1 . 2 .]" 1
702 1 31 VAL QG 1 32 ILE H 4.110 . 4.110 3.140 2.299 3.309 . 0 0 "[ . 1 . 2 .]" 1
703 1 31 VAL QG 1 34 PHE QD 4.620 . 4.620 3.167 2.545 3.535 . 0 0 "[ . 1 . 2 .]" 1
704 1 31 VAL QG 1 34 PHE QE 4.280 . 4.280 3.844 2.762 4.323 0.043 19 0 "[ . 1 . 2 .]" 1
705 1 32 ILE HA 1 35 SER QB 4.130 . 4.130 2.606 2.315 3.057 . 0 0 "[ . 1 . 2 .]" 1
706 1 32 ILE MG 1 36 GLN QG 3.910 . 3.910 2.865 2.371 3.798 . 0 0 "[ . 1 . 2 .]" 1
707 1 32 ILE MG 1 36 GLN QE 3.470 . 3.470 2.334 1.705 3.072 . 0 0 "[ . 1 . 2 .]" 1
708 1 33 SER H 1 33 SER QB 3.230 . 3.230 2.418 2.223 2.760 . 0 0 "[ . 1 . 2 .]" 1
709 1 33 SER QB 1 34 PHE H 3.870 . 3.870 2.768 2.436 3.591 . 0 0 "[ . 1 . 2 .]" 1
710 1 34 PHE H 1 34 PHE QB 3.330 . 3.330 2.492 2.333 2.588 . 0 0 "[ . 1 . 2 .]" 1
711 1 35 SER HA 1 38 LEU QB 3.960 . 3.960 2.579 2.235 2.866 . 0 0 "[ . 1 . 2 .]" 1
712 1 35 SER HA 1 38 LEU QD 5.320 . 5.320 3.502 2.465 4.394 . 0 0 "[ . 1 . 2 .]" 1
713 1 35 SER QB 1 36 GLN H 4.010 . 4.010 2.623 2.476 2.850 . 0 0 "[ . 1 . 2 .]" 1
714 1 36 GLN H 1 36 GLN QG 3.510 . 3.510 2.224 2.000 2.398 . 0 0 "[ . 1 . 2 .]" 1
715 1 36 GLN HA 1 36 GLN QG 3.390 . 3.390 2.642 2.352 3.345 . 0 0 "[ . 1 . 2 .]" 1
716 1 36 GLN HA 1 39 ASP QB 3.530 . 3.530 2.478 2.109 2.911 . 0 0 "[ . 1 . 2 .]" 1
717 1 36 GLN QB 1 37 GLU H 3.560 . 3.560 2.747 2.443 3.568 0.008 10 0 "[ . 1 . 2 .]" 1
718 1 36 GLN QB 1 38 LEU H 5.180 . 5.180 4.811 4.638 5.184 0.004 10 0 "[ . 1 . 2 .]" 1
719 1 37 GLU H 1 37 GLU QB 3.350 . 3.350 2.304 2.127 2.562 . 0 0 "[ . 1 . 2 .]" 1
720 1 37 GLU H 1 37 GLU QG 3.960 . 3.960 3.264 2.087 4.005 0.045 25 0 "[ . 1 . 2 .]" 1
721 1 37 GLU HA 1 37 GLU QG 3.670 . 3.670 2.595 2.412 2.982 . 0 0 "[ . 1 . 2 .]" 1
722 1 38 LEU H 1 38 LEU QB 3.320 . 3.320 2.204 2.131 2.337 . 0 0 "[ . 1 . 2 .]" 1
723 1 38 LEU HA 1 38 LEU QD 4.220 . 4.220 2.320 1.896 3.101 . 0 0 "[ . 1 . 2 .]" 1
724 1 38 LEU HA 1 41 LEU QD 3.970 . 3.970 2.808 2.160 3.963 . 0 0 "[ . 1 . 2 .]" 1
725 1 38 LEU QB 1 39 ASP H 3.630 . 3.630 2.447 2.246 2.769 . 0 0 "[ . 1 . 2 .]" 1
726 1 38 LEU QD 1 39 ASP H 4.100 . 4.100 3.381 2.867 4.021 . 0 0 "[ . 1 . 2 .]" 1
727 1 38 LEU QD 1 41 LEU H 4.960 . 4.960 4.357 3.859 4.709 . 0 0 "[ . 1 . 2 .]" 1
728 1 38 LEU QD 1 42 LEU H 4.250 . 4.250 3.705 3.135 4.327 0.077 25 0 "[ . 1 . 2 .]" 1
729 1 39 ASP HA 1 42 LEU QD 3.520 . 3.520 3.143 2.162 3.526 0.006 7 0 "[ . 1 . 2 .]" 1
730 1 39 ASP QB 1 40 ARG H 3.680 . 3.680 2.539 2.301 2.739 . 0 0 "[ . 1 . 2 .]" 1
731 1 39 ASP QB 1 40 ARG HA 4.940 . 4.940 4.163 3.792 4.336 . 0 0 "[ . 1 . 2 .]" 1
732 1 40 ARG H 1 40 ARG QG 4.450 . 4.450 3.405 2.191 4.094 . 0 0 "[ . 1 . 2 .]" 1
733 1 40 ARG HA 1 43 ASN QB 4.150 . 4.150 2.503 2.101 2.902 . 0 0 "[ . 1 . 2 .]" 1
734 1 40 ARG QB 1 40 ARG QD 3.310 . 3.310 2.354 2.047 2.938 . 0 0 "[ . 1 . 2 .]" 1
735 1 40 ARG QB 1 42 LEU H 5.340 . 5.340 4.741 4.550 4.969 . 0 0 "[ . 1 . 2 .]" 1
736 1 41 LEU H 1 41 LEU QB 3.600 . 3.600 2.376 1.968 2.554 . 0 0 "[ . 1 . 2 .]" 1
737 1 41 LEU H 1 41 LEU QD 3.740 . 3.740 2.810 2.237 3.644 . 0 0 "[ . 1 . 2 .]" 1
738 1 41 LEU HA 1 41 LEU QD 3.200 . 3.200 2.240 1.946 2.739 . 0 0 "[ . 1 . 2 .]" 1
739 1 41 LEU QB 1 42 LEU H 3.700 . 3.700 2.601 2.425 2.840 . 0 0 "[ . 1 . 2 .]" 1
740 1 41 LEU QB 1 42 LEU HA 4.770 . 4.770 3.929 3.838 4.128 . 0 0 "[ . 1 . 2 .]" 1
741 1 41 LEU QB 1 44 LEU MD1 5.160 . 5.160 3.448 3.133 3.941 . 0 0 "[ . 1 . 2 .]" 1
742 1 41 LEU QD 1 42 LEU H 4.770 . 4.770 4.003 3.874 4.107 . 0 0 "[ . 1 . 2 .]" 1
743 1 42 LEU H 1 42 LEU QB 3.530 . 3.530 2.229 2.180 2.473 . 0 0 "[ . 1 . 2 .]" 1
744 1 42 LEU H 1 42 LEU QD 4.260 . 4.260 3.585 2.281 3.759 . 0 0 "[ . 1 . 2 .]" 1
745 1 42 LEU H 1 45 LEU QD 5.440 . 5.440 4.844 4.272 5.442 0.002 5 0 "[ . 1 . 2 .]" 1
746 1 42 LEU HA 1 45 LEU QD 3.220 . 3.220 2.735 2.179 3.250 0.030 5 0 "[ . 1 . 2 .]" 1
747 1 42 LEU QB 1 43 ASN H 3.570 . 3.570 2.555 2.395 2.725 . 0 0 "[ . 1 . 2 .]" 1
748 1 42 LEU QB 1 45 LEU QD 4.300 . 4.300 4.145 3.715 4.337 0.037 5 0 "[ . 1 . 2 .]" 1
749 1 42 LEU QD 1 43 ASN H 4.000 . 4.000 3.777 3.252 4.066 0.066 23 0 "[ . 1 . 2 .]" 1
750 1 42 LEU QD 1 43 ASN QD 4.680 . 4.680 4.178 2.671 4.773 0.093 13 0 "[ . 1 . 2 .]" 1
751 1 43 ASN H 1 43 ASN QD 4.170 . 4.170 3.383 2.188 4.219 0.049 8 0 "[ . 1 . 2 .]" 1
752 1 43 ASN HA 1 43 ASN QD 3.780 . 3.780 2.610 1.752 3.383 . 0 0 "[ . 1 . 2 .]" 1
753 1 43 ASN QB 1 44 LEU H 3.640 . 3.640 2.920 2.534 3.236 . 0 0 "[ . 1 . 2 .]" 1
754 1 43 ASN QB 1 45 LEU H 5.340 . 5.340 4.861 4.699 5.125 . 0 0 "[ . 1 . 2 .]" 1
755 1 43 ASN QB 1 46 ILE MD 4.340 . 4.340 3.741 3.156 4.313 . 0 0 "[ . 1 . 2 .]" 1
756 1 43 ASN QD 1 46 ILE MG 5.210 . 5.210 4.189 2.613 5.270 0.060 15 0 "[ . 1 . 2 .]" 1
757 1 43 ASN QD 1 46 ILE MD 4.430 . 4.430 2.915 1.998 4.445 0.015 15 0 "[ . 1 . 2 .]" 1
758 1 44 LEU HA 1 47 GLU QB 3.780 . 3.780 2.446 1.934 2.811 . 0 0 "[ . 1 . 2 .]" 1
759 1 45 LEU H 1 45 LEU QD 3.760 . 3.760 2.772 1.713 3.648 . 0 0 "[ . 1 . 2 .]" 1
760 1 45 LEU HA 1 45 LEU QD 3.380 . 3.380 2.312 2.030 3.359 . 0 0 "[ . 1 . 2 .]" 1
761 1 45 LEU QB 1 46 ILE H 4.100 . 4.100 2.544 2.208 3.563 . 0 0 "[ . 1 . 2 .]" 1
762 1 46 ILE H 1 46 ILE QG 3.560 . 3.560 2.269 1.864 3.463 . 0 0 "[ . 1 . 2 .]" 1
763 1 46 ILE QG 1 46 ILE MG 3.260 . 3.260 2.294 2.065 2.383 . 0 0 "[ . 1 . 2 .]" 1
764 1 46 ILE MG 1 47 GLU QB 4.570 . 4.570 4.389 4.043 4.673 0.103 21 0 "[ . 1 . 2 .]" 1
765 1 47 GLU H 1 47 GLU QB 3.170 . 3.170 2.240 2.004 2.493 . 0 0 "[ . 1 . 2 .]" 1
766 1 47 GLU H 1 47 GLU QG 4.460 . 4.460 3.514 2.067 4.038 . 0 0 "[ . 1 . 2 .]" 1
767 1 47 GLU QB 1 48 LEU H 3.870 . 3.870 2.541 2.212 2.915 . 0 0 "[ . 1 . 2 .]" 1
768 1 48 LEU H 1 48 LEU QB 3.250 . 3.250 2.306 2.161 2.492 . 0 0 "[ . 1 . 2 .]" 1
769 1 48 LEU H 1 48 LEU QD 4.190 . 4.190 2.802 1.998 3.712 . 0 0 "[ . 1 . 2 .]" 1
770 1 48 LEU HA 1 48 LEU QD 2.880 . 2.880 1.987 1.920 2.204 . 0 0 "[ . 1 . 2 .]" 1
771 1 48 LEU QB 1 49 LYS H 3.960 . 3.960 2.710 2.341 2.930 . 0 0 "[ . 1 . 2 .]" 1
772 1 48 LEU QD 1 49 LYS H 4.800 . 4.800 3.785 3.159 4.099 . 0 0 "[ . 1 . 2 .]" 1
773 1 48 LEU QD 1 51 LYS QB 4.160 . 4.160 3.419 2.354 4.241 0.081 15 0 "[ . 1 . 2 .]" 1
774 1 48 LEU QD 1 51 LYS QG 4.330 . 4.330 3.368 2.326 4.367 0.037 4 0 "[ . 1 . 2 .]" 1
775 1 48 LEU QD 1 51 LYS QD 4.100 . 4.100 3.086 1.898 4.145 0.045 24 0 "[ . 1 . 2 .]" 1
776 1 49 LYS H 1 49 LYS QB 3.580 . 3.580 2.405 2.177 2.748 . 0 0 "[ . 1 . 2 .]" 1
777 1 49 LYS H 1 49 LYS QG 4.180 . 4.180 2.750 1.913 4.017 . 0 0 "[ . 1 . 2 .]" 1
778 1 49 LYS QB 1 50 THR H 3.910 . 3.910 2.748 2.306 3.534 . 0 0 "[ . 1 . 2 .]" 1
779 1 49 LYS QB 1 50 THR HA 4.170 . 4.170 3.980 3.643 4.224 0.054 7 0 "[ . 1 . 2 .]" 1
780 1 51 LYS H 1 51 LYS QB 3.180 . 3.180 2.448 2.005 2.826 . 0 0 "[ . 1 . 2 .]" 1
781 1 51 LYS H 1 51 LYS QG 4.010 . 4.010 2.446 1.930 3.952 . 0 0 "[ . 1 . 2 .]" 1
782 1 51 LYS H 1 51 LYS QD 4.780 . 4.780 3.563 2.220 4.250 . 0 0 "[ . 1 . 2 .]" 1
783 1 51 LYS H 1 53 LYS QG 4.890 . 4.890 4.904 4.565 5.101 0.211 1 0 "[ . 1 . 2 .]" 1
784 1 51 LYS HA 1 53 LYS QG 4.210 . 4.210 3.734 3.003 4.272 0.062 11 0 "[ . 1 . 2 .]" 1
785 1 51 LYS QB 1 52 LYS H 3.390 . 3.390 2.776 2.039 3.462 0.072 15 0 "[ . 1 . 2 .]" 1
786 1 51 LYS QB 1 53 LYS H 3.610 . 3.610 2.870 2.502 3.333 . 0 0 "[ . 1 . 2 .]" 1
787 1 51 LYS QB 1 53 LYS QG 3.120 . 3.120 2.158 1.923 3.004 . 0 0 "[ . 1 . 2 .]" 1
788 1 51 LYS QB 1 54 ARG H 4.830 . 4.830 4.058 2.876 4.880 0.050 15 0 "[ . 1 . 2 .]" 1
789 1 52 LYS H 1 53 LYS QG 4.550 . 4.550 4.120 3.860 4.349 . 0 0 "[ . 1 . 2 .]" 1
790 1 52 LYS HA 1 57 LEU QD 3.310 . 3.310 2.336 1.815 3.475 0.165 17 0 "[ . 1 . 2 .]" 1
791 1 52 LYS HB2 1 52 LYS QE 4.670 . 4.670 3.523 1.967 4.208 . 0 0 "[ . 1 . 2 .]" 1
792 1 52 LYS HB2 1 57 LEU QD 3.530 . 3.530 2.426 1.860 3.010 . 0 0 "[ . 1 . 2 .]" 1
793 1 52 LYS HB3 1 57 LEU QD 4.020 . 4.020 2.923 2.031 3.903 . 0 0 "[ . 1 . 2 .]" 1
794 1 52 LYS HG2 1 57 LEU QD 5.440 . 5.440 4.469 3.584 5.047 . 0 0 "[ . 1 . 2 .]" 1
795 1 52 LYS HG3 1 57 LEU QD 5.440 . 5.440 4.149 2.310 4.818 . 0 0 "[ . 1 . 2 .]" 1
796 1 52 LYS QD 1 57 LEU QD 3.800 . 3.800 3.654 2.035 3.942 0.142 24 0 "[ . 1 . 2 .]" 1
797 1 53 LYS H 1 53 LYS QG 3.820 . 3.820 1.967 1.776 2.283 . 0 0 "[ . 1 . 2 .]" 1
798 1 53 LYS H 1 53 LYS QD 4.640 . 4.640 3.586 2.400 4.134 . 0 0 "[ . 1 . 2 .]" 1
799 1 53 LYS HB2 1 53 LYS QE 4.380 . 4.380 2.687 1.930 4.231 . 0 0 "[ . 1 . 2 .]" 1
800 1 53 LYS QD 1 53 LYS QG 2.360 . 2.360 2.036 1.995 2.094 . 0 0 "[ . 1 . 2 .]" 1
801 1 53 LYS QG 1 54 ARG H 4.280 . 4.280 3.171 1.641 4.040 . 0 0 "[ . 1 . 2 .]" 1
802 1 53 LYS QE 1 54 ARG HA 5.340 . 5.340 5.056 4.044 5.398 0.058 19 0 "[ . 1 . 2 .]" 1
803 1 54 ARG H 1 54 ARG QB 3.050 . 3.050 2.480 2.086 3.147 0.097 18 0 "[ . 1 . 2 .]" 1
804 1 54 ARG H 1 54 ARG QG 3.640 . 3.640 2.740 1.870 3.792 0.152 5 0 "[ . 1 . 2 .]" 1
805 1 54 ARG HA 1 54 ARG QG 3.690 . 3.690 2.668 2.290 3.353 . 0 0 "[ . 1 . 2 .]" 1
806 1 54 ARG HA 1 54 ARG QD 4.530 . 4.530 3.197 1.889 4.296 . 0 0 "[ . 1 . 2 .]" 1
807 1 54 ARG QB 1 54 ARG QD 3.330 . 3.330 2.416 2.066 2.846 . 0 0 "[ . 1 . 2 .]" 1
808 1 54 ARG QB 1 55 TYR H 3.580 . 3.580 2.871 1.820 3.689 0.109 5 0 "[ . 1 . 2 .]" 1
809 1 55 TYR H 1 55 TYR QB 3.190 . 3.190 2.524 2.195 3.210 0.020 9 0 "[ . 1 . 2 .]" 1
810 1 55 TYR HA 1 58 LEU QD 4.170 . 4.170 2.565 1.878 4.131 . 0 0 "[ . 1 . 2 .]" 1
811 1 55 TYR QB 1 56 SER H 4.310 . 4.310 3.383 2.524 3.971 . 0 0 "[ . 1 . 2 .]" 1
812 1 55 TYR QD 1 58 LEU QD 4.390 . 4.390 3.011 1.820 4.459 0.069 8 0 "[ . 1 . 2 .]" 1
813 1 56 SER H 1 56 SER QB 3.510 . 3.510 2.532 2.222 2.824 . 0 0 "[ . 1 . 2 .]" 1
814 1 56 SER QB 1 57 LEU H 4.120 . 4.120 3.251 2.539 3.822 . 0 0 "[ . 1 . 2 .]" 1
815 1 57 LEU H 1 57 LEU QB 2.990 . 2.990 2.434 2.203 2.540 . 0 0 "[ . 1 . 2 .]" 1
816 1 57 LEU H 1 57 LEU QD 3.890 . 3.890 2.861 1.705 3.845 . 0 0 "[ . 1 . 2 .]" 1
817 1 57 LEU H 1 58 LEU QD 5.000 . 5.000 3.514 2.042 4.440 . 0 0 "[ . 1 . 2 .]" 1
818 1 57 LEU HA 1 57 LEU QD 3.000 . 3.000 2.281 1.952 3.067 0.067 3 0 "[ . 1 . 2 .]" 1
819 1 57 LEU QB 1 58 LEU H 3.730 . 3.730 3.046 2.452 3.660 . 0 0 "[ . 1 . 2 .]" 1
820 1 57 LEU QD 1 58 LEU H 4.920 . 4.920 4.041 3.507 4.387 . 0 0 "[ . 1 . 2 .]" 1
821 1 58 LEU H 1 59 GLU QG 4.330 . 4.330 3.891 2.630 4.379 0.049 4 0 "[ . 1 . 2 .]" 1
822 1 58 LEU HA 1 58 LEU QD 3.060 . 3.060 2.416 2.032 3.064 0.004 1 0 "[ . 1 . 2 .]" 1
823 1 58 LEU HB2 1 59 GLU QG 4.130 . 4.130 3.107 2.265 4.167 0.037 8 0 "[ . 1 . 2 .]" 1
824 1 58 LEU QD 1 59 GLU H 4.210 . 4.210 3.751 3.201 4.212 0.002 20 0 "[ . 1 . 2 .]" 1
825 1 58 LEU QD 1 59 GLU QG 4.300 . 4.300 4.004 3.312 4.398 0.098 10 0 "[ . 1 . 2 .]" 1
826 1 59 GLU H 1 59 GLU QB 3.130 . 3.130 2.690 2.369 3.252 0.122 8 0 "[ . 1 . 2 .]" 1
827 1 59 GLU H 1 59 GLU QG 3.320 . 3.320 2.396 1.867 2.857 . 0 0 "[ . 1 . 2 .]" 1
828 1 61 HIS H 1 61 HIS QB 3.690 . 3.690 2.601 2.183 3.390 . 0 0 "[ . 1 . 2 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 56
_Distance_constraint_stats_list.Viol_count 174
_Distance_constraint_stats_list.Viol_total 356.133
_Distance_constraint_stats_list.Viol_max 0.395
_Distance_constraint_stats_list.Viol_rms 0.0391
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0102
_Distance_constraint_stats_list.Viol_average_violations_only 0.0819
_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 5 LYS 0.794 0.281 2 0 "[ . 1 . 2 .]"
1 6 LEU 0.733 0.151 25 0 "[ . 1 . 2 .]"
1 7 ASN 0.057 0.035 16 0 "[ . 1 . 2 .]"
1 8 ASP 0.417 0.118 21 0 "[ . 1 . 2 .]"
1 9 ARG 1.621 0.281 2 0 "[ . 1 . 2 .]"
1 10 ILE 0.746 0.151 25 0 "[ . 1 . 2 .]"
1 11 GLU 1.008 0.163 9 0 "[ . 1 . 2 .]"
1 12 ALA 2.291 0.286 14 0 "[ . 1 . 2 .]"
1 13 LYS 0.827 0.214 21 0 "[ . 1 . 2 .]"
1 14 LYS 0.020 0.011 11 0 "[ . 1 . 2 .]"
1 15 LYS 2.410 0.176 19 0 "[ . 1 . 2 .]"
1 16 GLU 2.033 0.286 14 0 "[ . 1 . 2 .]"
1 17 LEU 0.021 0.018 11 0 "[ . 1 . 2 .]"
1 18 ILE 0.600 0.132 19 0 "[ . 1 . 2 .]"
1 19 TYR 2.021 0.235 22 0 "[ . 1 . 2 .]"
1 20 LEU 0.160 0.133 12 0 "[ . 1 . 2 .]"
1 21 VAL 0.021 0.018 11 0 "[ . 1 . 2 .]"
1 22 GLU 0.593 0.132 19 0 "[ . 1 . 2 .]"
1 23 LYS 0.562 0.235 22 0 "[ . 1 . 2 .]"
1 28 HIS 0.396 0.085 11 0 "[ . 1 . 2 .]"
1 29 HIS 0.174 0.101 5 0 "[ . 1 . 2 .]"
1 30 LYS 0.642 0.330 6 0 "[ . 1 . 2 .]"
1 31 VAL 0.246 0.110 6 0 "[ . 1 . 2 .]"
1 32 ILE 0.453 0.085 11 0 "[ . 1 . 2 .]"
1 33 SER 1.483 0.231 6 0 "[ . 1 . 2 .]"
1 34 PHE 0.942 0.330 6 0 "[ . 1 . 2 .]"
1 35 SER 0.246 0.110 6 0 "[ . 1 . 2 .]"
1 36 GLN 0.241 0.119 2 0 "[ . 1 . 2 .]"
1 37 GLU 1.463 0.231 6 0 "[ . 1 . 2 .]"
1 38 LEU 0.307 0.215 17 0 "[ . 1 . 2 .]"
1 39 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 40 ARG 2.494 0.395 23 0 "[ . 1 . 2 .]"
1 41 LEU 0.154 0.115 11 0 "[ . 1 . 2 .]"
1 42 LEU 0.007 0.007 25 0 "[ . 1 . 2 .]"
1 43 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 44 LEU 2.310 0.395 23 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 LYS O 1 9 ARG H 2.000 . 2.300 2.162 1.840 2.581 0.281 2 0 "[ . 1 . 2 .]" 2
2 1 5 LYS O 1 9 ARG N 3.000 2.700 3.300 3.035 2.760 3.342 0.042 2 0 "[ . 1 . 2 .]" 2
3 1 6 LEU O 1 10 ILE H 2.000 . 2.300 2.197 1.966 2.451 0.151 25 0 "[ . 1 . 2 .]" 2
4 1 6 LEU O 1 10 ILE N 3.000 2.700 3.300 3.099 2.876 3.351 0.051 2 0 "[ . 1 . 2 .]" 2
5 1 7 ASN O 1 11 GLU H 2.000 . 2.300 2.000 1.730 2.335 0.035 16 0 "[ . 1 . 2 .]" 2
6 1 7 ASN O 1 11 GLU N 3.000 2.700 3.300 2.931 2.678 3.281 0.022 21 0 "[ . 1 . 2 .]" 2
7 1 8 ASP O 1 12 ALA H 2.000 . 2.300 2.138 1.853 2.418 0.118 21 0 "[ . 1 . 2 .]" 2
8 1 8 ASP O 1 12 ALA N 3.000 2.700 3.300 3.053 2.811 3.320 0.020 21 0 "[ . 1 . 2 .]" 2
9 1 9 ARG O 1 13 LYS H 2.000 . 2.300 2.209 1.854 2.514 0.214 21 0 "[ . 1 . 2 .]" 2
10 1 9 ARG O 1 13 LYS N 3.000 2.700 3.300 3.007 2.721 3.330 0.030 21 0 "[ . 1 . 2 .]" 2
11 1 10 ILE O 1 14 LYS H 2.000 . 2.300 1.934 1.752 2.225 . 0 0 "[ . 1 . 2 .]" 2
12 1 10 ILE O 1 14 LYS N 3.000 2.700 3.300 2.852 2.689 3.120 0.011 11 0 "[ . 1 . 2 .]" 2
13 1 11 GLU O 1 15 LYS H 2.000 . 2.300 2.189 1.798 2.463 0.163 9 0 "[ . 1 . 2 .]" 2
14 1 11 GLU O 1 15 LYS N 3.000 2.700 3.300 3.123 2.736 3.375 0.075 8 0 "[ . 1 . 2 .]" 2
15 1 12 ALA O 1 16 GLU H 2.000 . 2.300 2.288 1.933 2.586 0.286 14 0 "[ . 1 . 2 .]" 2
16 1 12 ALA O 1 16 GLU N 3.000 2.700 3.300 3.110 2.813 3.338 0.038 21 0 "[ . 1 . 2 .]" 2
17 1 13 LYS O 1 17 LEU H 2.000 . 2.300 1.900 1.773 2.103 . 0 0 "[ . 1 . 2 .]" 2
18 1 13 LYS O 1 17 LEU N 3.000 2.700 3.300 2.834 2.727 3.025 . 0 0 "[ . 1 . 2 .]" 2
19 1 14 LYS O 1 18 ILE H 2.000 . 2.300 2.001 1.796 2.307 0.007 8 0 "[ . 1 . 2 .]" 2
20 1 14 LYS O 1 18 ILE N 3.000 2.700 3.300 2.940 2.773 3.220 . 0 0 "[ . 1 . 2 .]" 2
21 1 15 LYS O 1 19 TYR H 2.000 . 2.300 2.269 1.994 2.476 0.176 19 0 "[ . 1 . 2 .]" 2
22 1 15 LYS O 1 19 TYR N 3.000 2.700 3.300 3.200 2.951 3.363 0.063 19 0 "[ . 1 . 2 .]" 2
23 1 16 GLU O 1 20 LEU H 2.000 . 2.300 2.003 1.765 2.433 0.133 12 0 "[ . 1 . 2 .]" 2
24 1 16 GLU O 1 20 LEU N 3.000 2.700 3.300 2.927 2.735 3.327 0.027 12 0 "[ . 1 . 2 .]" 2
25 1 17 LEU O 1 21 VAL H 2.000 . 2.300 1.840 1.727 2.014 . 0 0 "[ . 1 . 2 .]" 2
26 1 17 LEU O 1 21 VAL N 3.000 2.700 3.300 2.777 2.682 2.890 0.018 11 0 "[ . 1 . 2 .]" 2
27 1 18 ILE O 1 22 GLU H 2.000 . 2.300 2.154 1.840 2.432 0.132 19 0 "[ . 1 . 2 .]" 2
28 1 18 ILE O 1 22 GLU N 3.000 2.700 3.300 3.067 2.785 3.321 0.021 13 0 "[ . 1 . 2 .]" 2
29 1 19 TYR O 1 23 LYS H 2.000 . 2.300 2.128 1.839 2.535 0.235 22 0 "[ . 1 . 2 .]" 2
30 1 19 TYR O 1 23 LYS N 3.000 2.700 3.300 3.033 2.757 3.369 0.069 25 0 "[ . 1 . 2 .]" 2
31 1 28 HIS O 1 32 ILE H 2.000 . 2.300 2.122 1.789 2.385 0.085 11 0 "[ . 1 . 2 .]" 2
32 1 28 HIS O 1 32 ILE N 3.000 2.700 3.300 3.067 2.762 3.328 0.028 24 0 "[ . 1 . 2 .]" 2
33 1 29 HIS O 1 33 SER H 2.000 . 2.300 1.978 1.777 2.401 0.101 5 0 "[ . 1 . 2 .]" 2
34 1 29 HIS O 1 33 SER N 3.000 2.700 3.300 2.903 2.713 3.300 . 5 0 "[ . 1 . 2 .]" 2
35 1 30 LYS O 1 34 PHE H 2.000 . 2.300 2.033 1.828 2.630 0.330 6 0 "[ . 1 . 2 .]" 2
36 1 30 LYS O 1 34 PHE N 3.000 2.700 3.300 2.947 2.747 3.377 0.077 6 0 "[ . 1 . 2 .]" 2
37 1 31 VAL O 1 35 SER H 2.000 . 2.300 2.014 1.860 2.410 0.110 6 0 "[ . 1 . 2 .]" 2
38 1 31 VAL O 1 35 SER N 3.000 2.700 3.300 2.903 2.714 3.319 0.019 6 0 "[ . 1 . 2 .]" 2
39 1 32 ILE O 1 36 GLN H 2.000 . 2.300 2.078 1.879 2.342 0.042 23 0 "[ . 1 . 2 .]" 2
40 1 32 ILE O 1 36 GLN N 3.000 2.700 3.300 2.982 2.789 3.223 . 0 0 "[ . 1 . 2 .]" 2
41 1 33 SER O 1 37 GLU H 2.000 . 2.300 2.231 1.946 2.531 0.231 6 0 "[ . 1 . 2 .]" 2
42 1 33 SER O 1 37 GLU N 3.000 2.700 3.300 3.086 2.812 3.324 0.024 23 0 "[ . 1 . 2 .]" 2
43 1 34 PHE O 1 38 LEU H 2.000 . 2.300 1.976 1.770 2.515 0.215 17 0 "[ . 1 . 2 .]" 2
44 1 34 PHE O 1 38 LEU N 3.000 2.700 3.300 2.904 2.735 3.316 0.016 17 0 "[ . 1 . 2 .]" 2
45 1 35 SER O 1 39 ASP H 2.000 . 2.300 1.982 1.767 2.169 . 0 0 "[ . 1 . 2 .]" 2
46 1 35 SER O 1 39 ASP N 3.000 2.700 3.300 2.923 2.741 3.110 . 0 0 "[ . 1 . 2 .]" 2
47 1 36 GLN O 1 40 ARG H 2.000 . 2.300 2.097 1.862 2.419 0.119 2 0 "[ . 1 . 2 .]" 2
48 1 36 GLN O 1 40 ARG N 3.000 2.700 3.300 2.983 2.766 3.297 . 0 0 "[ . 1 . 2 .]" 2
49 1 37 GLU O 1 41 LEU H 2.000 . 2.300 1.994 1.804 2.415 0.115 11 0 "[ . 1 . 2 .]" 2
50 1 37 GLU O 1 41 LEU N 3.000 2.700 3.300 2.921 2.731 3.340 0.040 11 0 "[ . 1 . 2 .]" 2
51 1 38 LEU O 1 42 LEU H 2.000 . 2.300 1.943 1.722 2.230 . 0 0 "[ . 1 . 2 .]" 2
52 1 38 LEU O 1 42 LEU N 3.000 2.700 3.300 2.885 2.693 3.130 0.007 25 0 "[ . 1 . 2 .]" 2
53 1 39 ASP O 1 43 ASN H 2.000 . 2.300 2.039 1.785 2.286 . 0 0 "[ . 1 . 2 .]" 2
54 1 39 ASP O 1 43 ASN N 3.000 2.700 3.300 2.913 2.713 3.156 . 0 0 "[ . 1 . 2 .]" 2
55 1 40 ARG O 1 44 LEU H 2.000 . 2.300 2.302 1.961 2.695 0.395 23 0 "[ . 1 . 2 .]" 2
56 1 40 ARG O 1 44 LEU N 3.000 2.700 3.300 3.042 2.806 3.324 0.024 11 0 "[ . 1 . 2 .]" 2
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