NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
412021 |
2b1w   |
6843 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2b1w
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 635
_Distance_constraint_stats_list.Viol_count 238
_Distance_constraint_stats_list.Viol_total 266.527
_Distance_constraint_stats_list.Viol_max 0.825
_Distance_constraint_stats_list.Viol_rms 0.0295
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.1120
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 MET 0.000 0.000 . 0 "[ . 1]"
1 4 GLU 0.057 0.057 4 0 "[ . 1]"
1 5 SER 0.170 0.102 5 0 "[ . 1]"
1 6 HIS 0.170 0.102 5 0 "[ . 1]"
1 7 PRO 0.148 0.057 3 0 "[ . 1]"
1 8 HIS 0.148 0.057 3 0 "[ . 1]"
1 9 ILE 0.000 0.000 . 0 "[ . 1]"
1 10 GLN 0.000 0.000 . 0 "[ . 1]"
1 11 LEU 1.235 0.139 4 0 "[ . 1]"
1 12 LEU 2.151 0.795 9 1 "[ . +1]"
1 13 LYS 0.004 0.004 1 0 "[ . 1]"
1 14 SER 0.000 0.000 . 0 "[ . 1]"
1 15 ASN 0.238 0.069 2 0 "[ . 1]"
1 16 ARG 0.929 0.175 10 0 "[ . 1]"
1 17 GLU 1.189 0.175 10 0 "[ . 1]"
1 18 LEU 0.039 0.039 3 0 "[ . 1]"
1 19 LEU 0.457 0.146 9 0 "[ . 1]"
1 20 VAL 0.000 0.000 . 0 "[ . 1]"
1 21 THR 0.000 0.000 . 0 "[ . 1]"
1 22 HIS 0.457 0.146 9 0 "[ . 1]"
1 23 ILE 0.000 0.000 . 0 "[ . 1]"
1 24 ARG 1.168 0.182 2 0 "[ . 1]"
1 25 ASN 0.238 0.182 2 0 "[ . 1]"
1 26 THR 0.000 0.000 . 0 "[ . 1]"
1 27 GLN 0.000 0.000 . 0 "[ . 1]"
1 28 CYS 0.000 0.000 . 0 "[ . 1]"
1 29 LEU 1.717 0.251 7 0 "[ . 1]"
1 30 VAL 0.329 0.091 8 0 "[ . 1]"
1 31 ASP 0.000 0.000 . 0 "[ . 1]"
1 32 ASN 2.618 0.585 7 1 "[ . + 1]"
1 33 LEU 0.489 0.172 1 0 "[ . 1]"
1 34 LEU 0.000 0.000 . 0 "[ . 1]"
1 35 LYS 0.330 0.085 3 0 "[ . 1]"
1 36 ASN 0.000 0.000 . 0 "[ . 1]"
1 37 ASP 0.272 0.142 10 0 "[ . 1]"
1 38 TYR 0.427 0.325 5 0 "[ . 1]"
1 39 PHE 0.427 0.325 5 0 "[ . 1]"
1 40 SER 1.652 0.277 10 0 "[ . 1]"
1 41 ALA 2.863 0.825 7 1 "[ . + 1]"
1 42 GLU 0.000 0.000 . 0 "[ . 1]"
1 43 ASP 0.000 0.000 . 0 "[ . 1]"
1 44 ALA 0.344 0.149 6 0 "[ . 1]"
1 45 GLU 0.018 0.018 5 0 "[ . 1]"
1 46 ILE 0.113 0.095 7 0 "[ . 1]"
1 47 VAL 0.000 0.000 . 0 "[ . 1]"
1 48 CYS 0.000 0.000 . 0 "[ . 1]"
1 49 ALA 0.000 0.000 . 0 "[ . 1]"
1 50 CYS 0.000 0.000 . 0 "[ . 1]"
1 51 PRO 0.829 0.136 7 0 "[ . 1]"
1 52 THR 0.009 0.009 5 0 "[ . 1]"
1 53 GLN 0.000 0.000 . 0 "[ . 1]"
1 54 PRO 0.009 0.009 5 0 "[ . 1]"
1 55 ASP 0.829 0.136 7 0 "[ . 1]"
1 56 LYS 0.000 0.000 . 0 "[ . 1]"
1 57 VAL 0.040 0.028 10 0 "[ . 1]"
1 58 ARG 0.474 0.167 2 0 "[ . 1]"
1 59 LYS 1.633 0.183 9 0 "[ . 1]"
1 60 ILE 1.648 0.825 7 1 "[ . + 1]"
1 61 LEU 2.271 0.310 5 0 "[ . 1]"
1 62 ASP 0.968 0.145 7 0 "[ . 1]"
1 63 LEU 0.000 0.000 . 0 "[ . 1]"
1 64 VAL 0.000 0.000 . 0 "[ . 1]"
1 65 GLN 0.000 0.000 . 0 "[ . 1]"
1 66 SER 0.000 0.000 . 0 "[ . 1]"
1 67 LYS 0.000 0.000 . 0 "[ . 1]"
1 68 GLY 2.613 0.310 5 0 "[ . 1]"
1 69 GLU 0.389 0.167 2 0 "[ . 1]"
1 70 GLU 0.000 0.000 . 0 "[ . 1]"
1 71 VAL 0.704 0.225 5 0 "[ . 1]"
1 72 SER 0.000 0.000 . 0 "[ . 1]"
1 73 GLU 0.000 0.000 . 0 "[ . 1]"
1 74 PHE 2.240 0.375 8 0 "[ . 1]"
1 75 PHE 2.526 0.375 8 0 "[ . 1]"
1 76 LEU 2.694 0.251 7 0 "[ . 1]"
1 77 TYR 1.428 0.172 4 0 "[ . 1]"
1 78 LEU 0.479 0.120 10 0 "[ . 1]"
1 79 LEU 0.000 0.000 . 0 "[ . 1]"
1 80 GLN 0.725 0.124 10 0 "[ . 1]"
1 81 GLN 0.730 0.124 10 0 "[ . 1]"
1 82 LEU 0.203 0.203 7 0 "[ . 1]"
1 83 ALA 0.000 0.000 . 0 "[ . 1]"
1 84 ASP 0.000 0.000 . 0 "[ . 1]"
1 85 ALA 0.000 0.000 . 0 "[ . 1]"
1 86 TYR 0.000 0.000 . 0 "[ . 1]"
1 87 VAL 0.000 0.000 . 0 "[ . 1]"
1 88 ASP 0.000 0.000 . 0 "[ . 1]"
1 89 LEU 0.000 0.000 . 0 "[ . 1]"
1 91 PRO 0.000 0.000 . 0 "[ . 1]"
1 92 TRP 0.055 0.041 5 0 "[ . 1]"
1 93 LEU 0.047 0.047 8 0 "[ . 1]"
1 94 LEU 0.748 0.114 3 0 "[ . 1]"
1 95 GLU 0.701 0.114 3 0 "[ . 1]"
1 96 ILE 0.198 0.118 3 0 "[ . 1]"
1 97 GLY 0.000 0.000 . 0 "[ . 1]"
1 98 PHE 0.000 0.000 . 0 "[ . 1]"
1 99 SER 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 81 GLN HG3 1 92 TRP HZ3 3.765 2.064 6.827 6.386 5.795 6.832 0.005 7 0 "[ . 1]" 1
2 1 57 VAL HA 1 60 ILE H 3.450 2.021 5.446 3.011 2.812 3.252 . 0 0 "[ . 1]" 1
3 1 39 PHE HA 1 40 SER H 2.382 . 3.608 2.775 2.527 3.096 . 0 0 "[ . 1]" 1
4 1 7 PRO HB2 1 7 PRO HD2 3.503 2.031 6.153 3.502 2.973 4.055 . 0 0 "[ . 1]" 1
5 1 68 GLY HA3 1 69 GLU H 2.469 . 3.785 2.681 2.520 2.761 . 0 0 "[ . 1]" 1
6 1 68 GLY HA2 1 69 GLU H 2.809 . 4.514 3.545 3.525 3.585 . 0 0 "[ . 1]" 1
7 1 69 GLU H 1 69 GLU HB3 2.668 . 4.205 2.486 2.313 2.647 . 0 0 "[ . 1]" 1
8 1 69 GLU H 1 69 GLU HG3 3.779 2.066 6.862 4.467 4.322 4.541 . 0 0 "[ . 1]" 1
9 1 24 ARG H 1 25 ASN HA 2.970 . 4.876 3.966 3.636 4.412 . 0 0 "[ . 1]" 1
10 1 24 ARG H 1 24 ARG HB2 3.393 2.012 5.879 2.924 2.456 3.978 . 0 0 "[ . 1]" 1
11 1 69 GLU H 1 70 GLU H 3.308 . 5.671 2.890 2.843 2.947 . 0 0 "[ . 1]" 1
12 1 31 ASP H 1 33 LEU H 2.838 . 4.579 3.904 3.765 4.032 . 0 0 "[ . 1]" 1
13 1 32 ASN H 1 33 LEU H 2.850 . 4.605 2.513 2.436 2.607 . 0 0 "[ . 1]" 1
14 1 30 VAL HA 1 33 LEU H 3.388 2.011 5.867 3.109 2.995 3.169 . 0 0 "[ . 1]" 1
15 1 33 LEU H 1 33 LEU HB3 2.795 . 4.482 2.331 2.184 2.622 . 0 0 "[ . 1]" 1
16 1 33 LEU H 1 34 LEU MD1 3.046 . 5.049 4.745 3.982 5.021 . 0 0 "[ . 1]" 1
17 1 17 GLU H 1 18 LEU H 2.809 . 4.514 2.664 2.567 2.742 . 0 0 "[ . 1]" 1
18 1 18 LEU H 1 18 LEU HA 2.723 . 4.325 2.823 2.809 2.837 . 0 0 "[ . 1]" 1
19 1 17 GLU HB3 1 18 LEU H 3.187 2.077 5.381 3.919 3.637 4.270 . 0 0 "[ . 1]" 1
20 1 18 LEU H 1 18 LEU HB2 2.333 . 3.508 2.481 2.213 2.595 . 0 0 "[ . 1]" 1
21 1 18 LEU H 1 18 LEU MD1 3.420 2.017 5.945 4.074 4.030 4.140 . 0 0 "[ . 1]" 1
22 1 40 SER HG 1 41 ALA H 2.479 . 3.806 3.944 3.811 4.082 0.277 10 0 "[ . 1]" 1
23 1 40 SER HA 1 41 ALA H 2.820 . 4.537 2.535 2.493 2.624 . 0 0 "[ . 1]" 1
24 1 41 ALA H 1 41 ALA HA 2.934 . 4.793 2.742 2.707 2.770 . 0 0 "[ . 1]" 1
25 1 41 ALA H 1 41 ALA MB 2.434 2.028 3.714 2.220 2.192 2.244 . 0 0 "[ . 1]" 1
26 1 34 LEU H 1 35 LYS H 2.978 . 4.893 2.689 2.556 2.792 . 0 0 "[ . 1]" 1
27 1 82 LEU H 1 83 ALA H 3.443 2.021 6.003 2.722 2.490 2.933 . 0 0 "[ . 1]" 1
28 1 6 HIS HA 1 8 HIS H 3.441 2.020 5.999 4.772 4.414 5.229 . 0 0 "[ . 1]" 1
29 1 8 HIS H 1 8 HIS HB3 3.169 . 5.338 3.478 2.519 3.661 . 0 0 "[ . 1]" 1
30 1 8 HIS H 1 8 HIS HB2 3.451 2.022 6.023 2.679 2.479 3.626 . 0 0 "[ . 1]" 1
31 1 81 GLN H 1 82 LEU H 3.291 . 5.631 3.188 2.853 3.522 . 0 0 "[ . 1]" 1
32 1 82 LEU H 1 82 LEU MD1 2.805 . 4.504 3.203 1.658 3.689 0.203 7 0 "[ . 1]" 1
33 1 8 HIS H 1 9 ILE H 2.867 . 4.642 2.470 2.323 2.662 . 0 0 "[ . 1]" 1
34 1 9 ILE H 1 9 ILE HB 2.610 . 4.081 3.275 2.646 3.626 . 0 0 "[ . 1]" 1
35 1 4 GLU H 1 4 GLU HG2 3.265 . 5.567 3.349 1.929 4.566 0.057 4 0 "[ . 1]" 1
36 1 56 LYS H 1 57 VAL H 2.816 . 4.530 2.785 2.729 2.842 . 0 0 "[ . 1]" 1
37 1 55 ASP H 1 56 LYS H 2.844 . 4.592 2.458 2.419 2.506 . 0 0 "[ . 1]" 1
38 1 56 LYS H 1 56 LYS HB3 2.704 . 4.283 2.685 2.427 3.483 . 0 0 "[ . 1]" 1
39 1 67 LYS H 1 68 GLY H 2.623 . 4.110 3.048 2.913 3.289 . 0 0 "[ . 1]" 1
40 1 67 LYS H 1 67 LYS HA 2.805 . 4.504 2.795 2.757 2.896 . 0 0 "[ . 1]" 1
41 1 67 LYS H 1 67 LYS HB3 2.976 2.061 4.888 3.627 3.526 3.653 . 0 0 "[ . 1]" 1
42 1 67 LYS H 1 67 LYS HB2 2.768 2.068 4.422 2.502 2.209 2.603 . 0 0 "[ . 1]" 1
43 1 63 LEU H 1 64 VAL H 2.963 . 4.860 2.522 2.490 2.575 . 0 0 "[ . 1]" 1
44 1 63 LEU H 1 63 LEU HA 2.966 . 4.867 2.858 2.843 2.869 . 0 0 "[ . 1]" 1
45 1 62 ASP HB3 1 63 LEU H 3.009 2.054 4.964 2.677 2.471 3.244 . 0 0 "[ . 1]" 1
46 1 62 ASP HB2 1 63 LEU H 3.122 . 5.226 3.339 2.682 3.721 . 0 0 "[ . 1]" 1
47 1 63 LEU H 1 63 LEU HB2 2.844 . 4.592 2.258 2.157 2.376 . 0 0 "[ . 1]" 1
48 1 63 LEU H 1 63 LEU MD1 3.054 . 5.068 2.506 2.262 3.133 . 0 0 "[ . 1]" 1
49 1 83 ALA H 1 84 ASP H 3.389 2.010 5.871 2.691 2.576 2.756 . 0 0 "[ . 1]" 1
50 1 82 LEU HA 1 83 ALA H 2.905 . 4.728 3.524 3.486 3.561 . 0 0 "[ . 1]" 1
51 1 8 HIS HA 1 11 LEU H 3.077 . 5.122 3.396 3.007 3.771 . 0 0 "[ . 1]" 1
52 1 11 LEU H 1 11 LEU HA 1.889 . 2.659 2.783 2.765 2.799 0.139 4 0 "[ . 1]" 1
53 1 22 HIS H 1 23 ILE H 2.713 . 4.302 3.114 2.943 3.320 . 0 0 "[ . 1]" 1
54 1 84 ASP H 1 85 ALA H 2.740 . 4.362 2.509 2.464 2.547 . 0 0 "[ . 1]" 1
55 1 85 ALA H 1 86 TYR H 2.696 . 4.266 2.563 2.482 2.633 . 0 0 "[ . 1]" 1
56 1 85 ALA H 1 85 ALA HA 2.862 . 4.631 2.875 2.844 2.884 . 0 0 "[ . 1]" 1
57 1 84 ASP HB2 1 85 ALA H 3.003 . 4.951 3.826 3.736 3.931 . 0 0 "[ . 1]" 1
58 1 46 ILE H 1 47 VAL H 2.560 . 3.975 2.736 2.623 2.808 . 0 0 "[ . 1]" 1
59 1 46 ILE H 1 46 ILE HA 2.694 . 4.262 2.823 2.804 2.853 . 0 0 "[ . 1]" 1
60 1 46 ILE H 1 46 ILE HB 2.250 . 3.344 2.643 2.547 2.759 . 0 0 "[ . 1]" 1
61 1 46 ILE H 1 46 ILE HG13 2.586 . 4.031 3.628 3.489 3.764 . 0 0 "[ . 1]" 1
62 1 46 ILE H 1 46 ILE HG12 2.802 . 4.498 2.089 1.903 2.269 . 0 0 "[ . 1]" 1
63 1 40 SER H 1 43 ASP H 3.329 . 5.723 3.496 3.082 4.110 . 0 0 "[ . 1]" 1
64 1 42 GLU H 1 43 ASP H 2.772 . 4.432 2.770 2.723 2.880 . 0 0 "[ . 1]" 1
65 1 43 ASP H 1 44 ALA H 2.624 . 4.111 2.534 2.453 2.631 . 0 0 "[ . 1]" 1
66 1 42 GLU HB3 1 43 ASP H 2.923 2.039 4.768 3.049 2.317 3.562 . 0 0 "[ . 1]" 1
67 1 25 ASN H 1 25 ASN HA 2.543 . 3.940 2.263 2.250 2.273 . 0 0 "[ . 1]" 1
68 1 24 ARG HA 1 25 ASN H 3.252 . 5.536 3.486 3.433 3.548 . 0 0 "[ . 1]" 1
69 1 76 LEU H 1 77 TYR H 3.051 . 5.062 2.552 2.493 2.589 . 0 0 "[ . 1]" 1
70 1 77 TYR H 1 77 TYR HB2 2.785 . 4.461 2.349 2.280 2.399 . 0 0 "[ . 1]" 1
71 1 76 LEU HB2 1 77 TYR H 3.114 . 5.209 4.133 3.936 4.203 . 0 0 "[ . 1]" 1
72 1 16 ARG H 1 17 GLU H 3.088 . 5.147 2.764 2.599 2.873 . 0 0 "[ . 1]" 1
73 1 15 ASN HA 1 16 ARG H 3.196 . 5.403 2.767 2.622 3.038 . 0 0 "[ . 1]" 1
74 1 16 ARG H 1 16 ARG HA 2.671 . 4.212 2.790 2.756 2.825 . 0 0 "[ . 1]" 1
75 1 16 ARG H 1 16 ARG HB2 2.579 2.061 4.015 3.194 2.166 3.595 . 0 0 "[ . 1]" 1
76 1 77 TYR H 1 78 LEU H 2.950 . 4.829 2.617 2.569 2.681 . 0 0 "[ . 1]" 1
77 1 78 LEU H 1 79 LEU H 3.096 . 5.168 2.784 2.619 2.893 . 0 0 "[ . 1]" 1
78 1 78 LEU H 1 78 LEU HA 2.951 . 4.832 2.781 2.763 2.810 . 0 0 "[ . 1]" 1
79 1 77 TYR HB3 1 78 LEU H 3.257 . 5.548 3.727 3.661 3.889 . 0 0 "[ . 1]" 1
80 1 78 LEU H 1 78 LEU MD1 3.185 . 5.377 3.689 3.586 3.867 . 0 0 "[ . 1]" 1
81 1 50 CYS H 1 50 CYS HA 2.668 . 4.205 2.938 2.930 2.945 . 0 0 "[ . 1]" 1
82 1 49 ALA HA 1 50 CYS H 3.217 2.055 5.453 3.503 3.437 3.548 . 0 0 "[ . 1]" 1
83 1 49 ALA MB 1 50 CYS H 2.811 2.040 4.517 2.896 2.740 3.073 . 0 0 "[ . 1]" 1
84 1 92 TRP H 1 92 TRP HA 2.980 . 4.899 2.812 2.781 2.862 . 0 0 "[ . 1]" 1
85 1 92 TRP H 1 92 TRP HB3 2.646 . 4.158 3.602 3.560 3.629 . 0 0 "[ . 1]" 1
86 1 62 ASP H 1 62 ASP HB3 2.706 . 4.288 3.056 2.680 3.566 . 0 0 "[ . 1]" 1
87 1 62 ASP H 1 62 ASP HB2 2.865 . 4.638 2.214 2.075 2.388 . 0 0 "[ . 1]" 1
88 1 61 LEU HB3 1 62 ASP H 2.693 . 4.259 3.854 3.588 4.404 0.145 7 0 "[ . 1]" 1
89 1 61 LEU HB2 1 62 ASP H 3.061 2.022 5.084 2.944 2.851 3.581 . 0 0 "[ . 1]" 1
90 1 61 LEU MD1 1 62 ASP H 3.295 . 5.640 4.031 3.837 4.111 . 0 0 "[ . 1]" 1
91 1 47 VAL H 1 48 CYS H 2.736 . 4.352 2.568 2.511 2.626 . 0 0 "[ . 1]" 1
92 1 47 VAL H 1 49 ALA H 3.172 . 5.345 4.262 4.113 4.457 . 0 0 "[ . 1]" 1
93 1 47 VAL H 1 47 VAL HA 2.951 . 4.832 2.849 2.842 2.857 . 0 0 "[ . 1]" 1
94 1 47 VAL H 1 47 VAL HB 2.477 . 3.802 2.551 2.506 2.609 . 0 0 "[ . 1]" 1
95 1 46 ILE MG 1 47 VAL H 2.834 . 4.569 3.396 3.197 3.551 . 0 0 "[ . 1]" 1
96 1 64 VAL H 1 64 VAL HB 2.549 . 3.953 2.434 2.348 2.511 . 0 0 "[ . 1]" 1
97 1 28 CYS H 1 29 LEU H 3.449 2.021 6.019 2.672 2.587 2.793 . 0 0 "[ . 1]" 1
98 1 29 LEU H 1 29 LEU HB3 2.865 . 4.638 2.890 2.806 2.980 . 0 0 "[ . 1]" 1
99 1 29 LEU H 1 30 VAL MG1 3.420 2.016 5.947 4.389 4.105 4.615 . 0 0 "[ . 1]" 1
100 1 45 GLU H 1 46 ILE H 2.602 . 4.064 2.700 2.604 2.800 . 0 0 "[ . 1]" 1
101 1 44 ALA H 1 45 GLU H 2.606 . 4.073 2.824 2.750 2.887 . 0 0 "[ . 1]" 1
102 1 45 GLU H 1 45 GLU HG3 2.936 . 4.797 4.430 4.373 4.478 . 0 0 "[ . 1]" 1
103 1 45 GLU H 1 45 GLU HB2 2.371 . 3.586 2.463 2.104 2.605 . 0 0 "[ . 1]" 1
104 1 44 ALA MB 1 45 GLU H 2.511 . 3.874 2.498 2.424 2.606 . 0 0 "[ . 1]" 1
105 1 35 LYS H 1 35 LYS HA 2.768 . 4.422 2.849 2.839 2.858 . 0 0 "[ . 1]" 1
106 1 35 LYS H 1 35 LYS HB3 2.240 . 3.324 3.045 2.508 3.403 0.079 9 0 "[ . 1]" 1
107 1 35 LYS H 1 35 LYS HD3 2.748 . 4.379 3.784 3.010 4.464 0.085 3 0 "[ . 1]" 1
108 1 34 LEU MD2 1 35 LYS H 3.301 . 5.655 3.743 3.280 4.204 . 0 0 "[ . 1]" 1
109 1 75 PHE H 1 76 LEU H 3.209 . 5.434 2.694 2.559 2.807 . 0 0 "[ . 1]" 1
110 1 75 PHE H 1 75 PHE HB3 2.608 . 4.077 2.980 2.632 3.539 . 0 0 "[ . 1]" 1
111 1 75 PHE H 1 75 PHE HB2 2.584 . 4.028 2.243 2.091 2.439 . 0 0 "[ . 1]" 1
112 1 60 ILE H 1 61 LEU H 2.777 . 4.442 2.677 2.637 2.801 . 0 0 "[ . 1]" 1
113 1 59 LYS H 1 60 ILE H 2.838 . 4.579 2.771 2.697 2.816 . 0 0 "[ . 1]" 1
114 1 60 ILE H 1 60 ILE HA 2.908 . 4.735 2.842 2.835 2.846 . 0 0 "[ . 1]" 1
115 1 29 LEU H 1 30 VAL H 2.736 . 4.352 2.621 2.582 2.655 . 0 0 "[ . 1]" 1
116 1 27 GLN HA 1 30 VAL H 3.365 2.006 5.811 3.613 3.411 3.801 . 0 0 "[ . 1]" 1
117 1 30 VAL H 1 30 VAL HB 2.506 . 3.863 3.637 3.587 3.672 . 0 0 "[ . 1]" 1
118 1 29 LEU MD1 1 30 VAL H 3.135 . 5.257 2.168 2.020 2.342 . 0 0 "[ . 1]" 1
119 1 12 LEU H 1 13 LYS H 2.766 . 4.418 2.823 2.769 2.896 . 0 0 "[ . 1]" 1
120 1 11 LEU H 1 12 LEU H 2.835 . 4.572 2.778 2.688 2.867 . 0 0 "[ . 1]" 1
121 1 12 LEU H 1 12 LEU HG 2.401 . 3.647 3.708 2.352 4.441 0.795 9 1 "[ . +1]" 1
122 1 12 LEU H 1 12 LEU HB2 2.876 . 4.663 2.223 2.095 2.440 . 0 0 "[ . 1]" 1
123 1 70 GLU H 1 71 VAL H 2.924 . 4.771 2.596 2.538 2.643 . 0 0 "[ . 1]" 1
124 1 13 LYS H 1 13 LYS HA 2.499 2.038 3.849 2.836 2.821 2.856 . 0 0 "[ . 1]" 1
125 1 12 LEU HB2 1 13 LYS H 2.890 . 4.694 2.945 2.641 3.735 . 0 0 "[ . 1]" 1
126 1 19 LEU H 1 20 VAL H 2.994 . 4.929 2.633 2.565 2.766 . 0 0 "[ . 1]" 1
127 1 19 LEU H 1 19 LEU HB2 3.057 . 5.075 2.265 2.184 2.338 . 0 0 "[ . 1]" 1
128 1 19 LEU H 1 21 THR MG 2.910 . 4.739 4.350 4.116 4.512 . 0 0 "[ . 1]" 1
129 1 44 ALA H 1 44 ALA MB 2.234 . 3.312 2.213 2.169 2.228 . 0 0 "[ . 1]" 1
130 1 74 PHE H 1 75 PHE H 3.021 . 4.992 2.770 2.701 2.842 . 0 0 "[ . 1]" 1
131 1 73 GLU H 1 74 PHE H 2.931 . 4.787 2.633 2.575 2.698 . 0 0 "[ . 1]" 1
132 1 74 PHE H 1 74 PHE HB2 2.725 . 4.329 2.497 2.401 2.581 . 0 0 "[ . 1]" 1
133 1 73 GLU HB3 1 74 PHE H 2.821 . 4.540 3.977 3.891 4.077 . 0 0 "[ . 1]" 1
134 1 73 GLU HB2 1 74 PHE H 3.144 . 5.279 3.657 3.519 3.832 . 0 0 "[ . 1]" 1
135 1 30 VAL H 1 31 ASP H 2.791 . 4.474 2.800 2.762 2.840 . 0 0 "[ . 1]" 1
136 1 31 ASP H 1 32 ASN H 2.966 . 4.867 2.573 2.540 2.615 . 0 0 "[ . 1]" 1
137 1 31 ASP H 1 31 ASP HA 2.758 . 4.401 2.843 2.833 2.850 . 0 0 "[ . 1]" 1
138 1 28 CYS HA 1 31 ASP H 3.224 . 5.469 4.131 3.959 4.325 . 0 0 "[ . 1]" 1
139 1 31 ASP H 1 31 ASP HB3 2.581 . 4.021 2.842 2.643 3.086 . 0 0 "[ . 1]" 1
140 1 61 LEU H 1 62 ASP H 2.820 . 4.537 2.558 2.520 2.584 . 0 0 "[ . 1]" 1
141 1 61 LEU H 1 61 LEU HB2 2.988 . 4.918 2.644 2.330 3.567 . 0 0 "[ . 1]" 1
142 1 61 LEU H 1 61 LEU MD1 2.734 . 4.349 1.996 1.704 2.138 0.133 7 0 "[ . 1]" 1
143 1 49 ALA H 1 49 ALA HA 2.693 . 4.259 2.727 2.694 2.753 . 0 0 "[ . 1]" 1
144 1 49 ALA H 1 49 ALA MB 2.189 . 3.224 2.217 2.207 2.229 . 0 0 "[ . 1]" 1
145 1 41 ALA H 1 42 GLU H 3.089 . 5.150 2.896 2.788 3.075 . 0 0 "[ . 1]" 1
146 1 40 SER HA 1 42 GLU H 3.102 . 5.181 4.368 4.187 4.534 . 0 0 "[ . 1]" 1
147 1 42 GLU H 1 42 GLU HA 2.580 . 4.018 2.828 2.812 2.841 . 0 0 "[ . 1]" 1
148 1 42 GLU H 1 42 GLU HB3 2.556 . 3.967 3.199 2.496 3.640 . 0 0 "[ . 1]" 1
149 1 41 ALA MB 1 42 GLU H 2.540 . 3.933 2.781 2.748 2.814 . 0 0 "[ . 1]" 1
150 1 57 VAL H 1 57 VAL HA 2.936 . 4.799 2.840 2.811 2.849 . 0 0 "[ . 1]" 1
151 1 54 PRO HA 1 57 VAL H 3.321 . 5.702 3.423 3.133 3.533 . 0 0 "[ . 1]" 1
152 1 57 VAL H 1 57 VAL HB 2.619 . 4.100 3.691 3.666 3.708 . 0 0 "[ . 1]" 1
153 1 57 VAL H 1 57 VAL MG1 2.380 . 3.604 2.185 1.930 2.258 . 0 0 "[ . 1]" 1
154 1 20 VAL H 1 20 VAL HA 2.962 2.025 4.857 2.808 2.788 2.844 . 0 0 "[ . 1]" 1
155 1 19 LEU HB2 1 20 VAL H 3.426 2.018 5.960 2.962 2.621 3.090 . 0 0 "[ . 1]" 1
156 1 72 SER H 1 73 GLU H 3.013 . 4.973 2.758 2.636 2.810 . 0 0 "[ . 1]" 1
157 1 71 VAL H 1 72 SER H 2.782 . 4.454 2.576 2.540 2.615 . 0 0 "[ . 1]" 1
158 1 72 SER H 1 72 SER HA 2.578 2.077 4.014 2.817 2.804 2.839 . 0 0 "[ . 1]" 1
159 1 48 CYS H 1 49 ALA H 2.741 . 4.365 2.738 2.641 2.808 . 0 0 "[ . 1]" 1
160 1 48 CYS H 1 48 CYS HA 2.471 . 3.790 2.788 2.772 2.821 . 0 0 "[ . 1]" 1
161 1 47 VAL HB 1 48 CYS H 2.622 . 4.107 2.785 2.663 2.899 . 0 0 "[ . 1]" 1
162 1 57 VAL MG1 1 58 ARG H 3.239 . 5.505 3.920 3.647 4.029 . 0 0 "[ . 1]" 1
163 1 58 ARG H 1 58 ARG HB3 2.420 . 3.685 2.303 2.095 2.671 . 0 0 "[ . 1]" 1
164 1 92 TRP H 1 93 LEU H 2.961 . 4.855 2.801 2.636 2.971 . 0 0 "[ . 1]" 1
165 1 89 LEU MD2 1 93 LEU H 3.276 . 5.594 4.361 3.703 5.297 . 0 0 "[ . 1]" 1
166 1 76 LEU H 1 78 LEU HG 2.866 . 4.641 4.661 4.533 4.761 0.120 10 0 "[ . 1]" 1
167 1 94 LEU H 1 95 GLU H 2.922 . 4.765 2.599 2.485 2.802 . 0 0 "[ . 1]" 1
168 1 94 LEU H 1 94 LEU HA 2.928 . 4.780 2.827 2.786 2.853 . 0 0 "[ . 1]" 1
169 1 93 LEU HB2 1 94 LEU H 3.182 . 5.369 3.891 2.866 4.279 . 0 0 "[ . 1]" 1
170 1 94 LEU H 1 95 GLU HG3 2.619 . 4.100 4.171 4.108 4.215 0.114 3 0 "[ . 1]" 1
171 1 93 LEU HB3 1 94 LEU H 3.035 . 5.024 3.965 2.826 4.237 . 0 0 "[ . 1]" 1
172 1 93 LEU MD1 1 94 LEU H 3.078 . 5.125 2.728 1.894 3.657 0.047 8 0 "[ . 1]" 1
173 1 40 SER H 1 40 SER HG 3.097 . 5.169 3.017 1.968 3.383 . 0 0 "[ . 1]" 1
174 1 39 PHE HB3 1 40 SER H 3.109 . 5.197 4.334 4.298 4.377 . 0 0 "[ . 1]" 1
175 1 58 ARG H 1 59 LYS H 2.910 . 4.739 2.760 2.616 2.894 . 0 0 "[ . 1]" 1
176 1 59 LYS H 1 60 ILE MD 3.436 2.019 5.987 5.268 5.118 5.342 . 0 0 "[ . 1]" 1
177 1 14 SER H 1 15 ASN H 2.557 . 3.968 2.648 2.520 2.736 . 0 0 "[ . 1]" 1
178 1 15 ASN H 1 16 ARG H 2.629 . 4.121 2.811 2.496 3.027 . 0 0 "[ . 1]" 1
179 1 15 ASN H 1 15 ASN HB3 2.568 . 3.994 3.167 2.792 3.530 . 0 0 "[ . 1]" 1
180 1 5 SER H 1 6 HIS HA 2.976 . 4.888 4.553 4.057 4.989 0.102 5 0 "[ . 1]" 1
181 1 32 ASN H 1 32 ASN HD22 3.008 . 4.963 5.180 4.963 5.548 0.585 7 1 "[ . + 1]" 1
182 1 31 ASP HB3 1 32 ASN H 2.959 . 4.851 3.289 2.830 4.107 . 0 0 "[ . 1]" 1
183 1 32 ASN H 1 33 LEU HB2 3.407 2.014 5.914 5.534 5.019 6.087 0.172 1 0 "[ . 1]" 1
184 1 9 ILE H 1 10 GLN H 3.047 . 5.052 2.776 2.702 2.836 . 0 0 "[ . 1]" 1
185 1 9 ILE HB 1 10 GLN H 2.807 . 4.508 3.065 2.237 3.676 . 0 0 "[ . 1]" 1
186 1 25 ASN HA 1 28 CYS H 3.046 . 5.051 3.882 3.487 4.327 . 0 0 "[ . 1]" 1
187 1 80 GLN H 1 81 GLN H 3.180 . 5.363 2.643 2.556 2.692 . 0 0 "[ . 1]" 1
188 1 79 LEU H 1 80 GLN H 3.029 . 5.011 2.639 2.569 2.705 . 0 0 "[ . 1]" 1
189 1 38 TYR H 1 39 PHE H 2.485 . 3.819 1.989 1.697 4.144 0.325 5 0 "[ . 1]" 1
190 1 37 ASP HA 1 38 TYR H 3.021 . 4.992 3.017 2.922 3.068 . 0 0 "[ . 1]" 1
191 1 38 TYR H 1 38 TYR HB3 3.000 2.027 4.944 3.579 3.501 3.718 . 0 0 "[ . 1]" 1
192 1 38 TYR H 1 38 TYR HB2 2.781 . 4.451 4.111 4.012 4.159 . 0 0 "[ . 1]" 1
193 1 64 VAL H 1 65 GLN H 2.895 . 4.706 2.546 2.482 2.610 . 0 0 "[ . 1]" 1
194 1 65 GLN H 1 65 GLN HG3 2.876 . 4.663 3.282 2.756 4.636 . 0 0 "[ . 1]" 1
195 1 78 LEU HG 1 79 LEU H 3.203 . 5.419 3.422 2.202 4.240 . 0 0 "[ . 1]" 1
196 1 37 ASP H 1 38 TYR H 2.909 . 4.736 2.789 2.561 2.873 . 0 0 "[ . 1]" 1
197 1 83 ALA HA 1 84 ASP H 3.410 2.015 5.921 3.542 3.473 3.571 . 0 0 "[ . 1]" 1
198 1 84 ASP H 1 84 ASP HB2 2.848 2.017 4.601 2.671 2.560 2.939 . 0 0 "[ . 1]" 1
199 1 83 ALA MB 1 84 ASP H 3.100 . 5.175 2.569 2.415 2.772 . 0 0 "[ . 1]" 1
200 1 17 GLU H 1 17 GLU HG3 2.683 2.083 4.238 2.316 1.972 3.577 0.111 7 0 "[ . 1]" 1
201 1 17 GLU H 1 18 LEU HB3 3.140 . 5.269 4.909 4.803 5.069 . 0 0 "[ . 1]" 1
202 1 53 GLN HA 1 55 ASP H 3.157 . 5.310 4.572 4.492 4.652 . 0 0 "[ . 1]" 1
203 1 55 ASP H 1 55 ASP HB2 2.631 . 4.127 2.285 2.191 2.375 . 0 0 "[ . 1]" 1
204 1 51 PRO HB3 1 55 ASP H 3.026 . 5.004 5.087 5.046 5.140 0.136 7 0 "[ . 1]" 1
205 1 54 PRO HB2 1 55 ASP H 2.763 2.052 4.412 3.001 2.728 3.333 . 0 0 "[ . 1]" 1
206 1 54 PRO HA 1 55 ASP H 3.450 2.021 6.022 3.647 3.625 3.673 . 0 0 "[ . 1]" 1
207 1 36 ASN H 1 37 ASP H 2.781 . 4.451 2.144 2.055 2.225 . 0 0 "[ . 1]" 1
208 1 37 ASP H 1 37 ASP HB3 3.332 . 5.731 3.806 3.596 4.121 . 0 0 "[ . 1]" 1
209 1 37 ASP H 1 37 ASP HB2 3.188 . 5.384 3.193 3.010 3.594 . 0 0 "[ . 1]" 1
210 1 14 SER H 1 14 SER HB3 3.284 . 5.613 3.495 2.634 3.609 . 0 0 "[ . 1]" 1
211 1 35 LYS HA 1 36 ASN H 3.425 2.017 5.959 3.549 3.523 3.565 . 0 0 "[ . 1]" 1
212 1 35 LYS H 1 36 ASN H 2.843 . 4.589 2.598 2.549 2.644 . 0 0 "[ . 1]" 1
213 1 13 LYS H 1 14 SER H 2.719 . 4.316 2.627 2.564 2.693 . 0 0 "[ . 1]" 1
214 1 14 SER H 1 14 SER HA 2.875 . 4.661 2.823 2.787 2.853 . 0 0 "[ . 1]" 1
215 1 95 GLU H 1 96 ILE H 3.387 2.010 5.866 2.681 2.612 2.883 . 0 0 "[ . 1]" 1
216 1 96 ILE H 1 96 ILE MG 3.027 . 5.007 2.417 1.809 3.781 0.118 3 0 "[ . 1]" 1
217 1 20 VAL H 1 21 THR H 2.929 . 4.783 2.744 2.662 2.813 . 0 0 "[ . 1]" 1
218 1 21 THR H 1 22 HIS H 2.746 . 4.375 2.541 2.517 2.578 . 0 0 "[ . 1]" 1
219 1 20 VAL MG2 1 21 THR H 2.954 . 4.839 3.718 3.565 3.826 . 0 0 "[ . 1]" 1
220 1 96 ILE HA 1 97 GLY H 3.040 . 5.036 3.447 3.358 3.514 . 0 0 "[ . 1]" 1
221 1 96 ILE MG 1 97 GLY H 3.442 2.020 6.002 3.220 2.308 4.326 . 0 0 "[ . 1]" 1
222 1 8 HIS H 1 10 GLN H 4.080 2.083 7.675 4.197 4.031 4.363 . 0 0 "[ . 1]" 1
223 1 24 ARG H 1 77 TYR HE1 3.902 2.075 7.191 7.264 6.996 7.363 0.172 4 0 "[ . 1]" 1
224 1 36 ASN H 1 38 TYR H 3.937 2.077 7.285 4.078 3.666 4.289 . 0 0 "[ . 1]" 1
225 1 28 CYS H 1 31 ASP H 4.330 2.080 8.380 5.179 5.080 5.312 . 0 0 "[ . 1]" 1
226 1 29 LEU H 1 31 ASP H 4.273 2.082 8.217 4.468 4.398 4.584 . 0 0 "[ . 1]" 1
227 1 32 ASN H 1 32 ASN HD21 3.622 2.048 6.455 3.747 3.455 4.363 . 0 0 "[ . 1]" 1
228 1 36 ASN HD21 1 37 ASP H 3.678 2.054 6.601 5.305 4.476 5.919 . 0 0 "[ . 1]" 1
229 1 37 ASP H 1 39 PHE H 3.961 2.078 7.350 4.323 3.977 6.689 . 0 0 "[ . 1]" 1
230 1 40 SER H 1 44 ALA H 3.972 2.079 7.379 4.430 3.940 4.698 . 0 0 "[ . 1]" 1
231 1 45 GLU H 1 48 CYS H 3.984 2.079 7.413 4.641 4.502 4.765 . 0 0 "[ . 1]" 1
232 1 46 ILE H 1 48 CYS H 3.995 2.080 7.442 3.978 3.852 4.215 . 0 0 "[ . 1]" 1
233 1 60 ILE H 1 62 ASP H 3.690 2.056 6.631 3.795 3.666 3.937 . 0 0 "[ . 1]" 1
234 1 75 PHE H 1 75 PHE HE1 3.837 2.071 7.016 6.341 4.727 6.968 . 0 0 "[ . 1]" 1
235 1 92 TRP H 1 94 LEU H 4.033 2.081 7.547 4.031 3.796 4.277 . 0 0 "[ . 1]" 1
236 1 19 LEU MD1 1 20 VAL H 3.996 2.080 7.445 4.212 4.097 4.322 . 0 0 "[ . 1]" 1
237 1 30 VAL H 1 33 LEU HB2 3.905 2.075 7.199 5.946 5.251 6.845 . 0 0 "[ . 1]" 1
238 1 41 ALA H 1 60 ILE MD 3.624 2.048 6.461 5.949 5.313 7.286 0.825 7 1 "[ . + 1]" 1
239 1 78 LEU HA 1 81 GLN H 4.415 2.076 8.625 4.139 3.637 4.389 . 0 0 "[ . 1]" 1
240 1 80 GLN HG2 1 81 GLN H 3.988 2.079 7.424 4.238 3.346 4.861 . 0 0 "[ . 1]" 1
241 1 81 GLN H 1 83 ALA MB 3.933 2.077 7.274 6.439 6.266 6.672 . 0 0 "[ . 1]" 1
242 1 82 LEU MD2 1 83 ALA H 3.771 2.065 6.842 4.075 3.687 4.845 . 0 0 "[ . 1]" 1
243 1 85 ALA HA 1 86 TYR H 4.206 2.083 8.027 3.563 3.534 3.599 . 0 0 "[ . 1]" 1
244 1 86 TYR H 1 86 TYR HB3 4.157 2.084 7.888 2.802 2.583 3.152 . 0 0 "[ . 1]" 1
245 1 85 ALA MB 1 86 TYR H 3.594 2.044 6.384 2.579 2.448 2.803 . 0 0 "[ . 1]" 1
246 1 89 LEU MD2 1 92 TRP H 3.788 2.066 6.888 4.884 4.227 5.823 . 0 0 "[ . 1]" 1
247 1 93 LEU MD1 1 95 GLU H 3.651 2.051 6.531 4.616 4.428 5.240 . 0 0 "[ . 1]" 1
248 1 96 ILE H 1 96 ILE MD 3.737 2.061 6.754 3.703 2.628 4.267 . 0 0 "[ . 1]" 1
249 1 7 PRO HB2 1 8 HIS H 3.796 2.067 6.908 2.289 2.010 3.291 0.057 3 0 "[ . 1]" 1
250 1 7 PRO HD2 1 8 HIS H 3.959 2.079 7.343 2.549 2.181 3.392 . 0 0 "[ . 1]" 1
251 1 7 PRO HD3 1 8 HIS H 3.937 2.077 7.285 3.905 3.623 4.278 . 0 0 "[ . 1]" 1
252 1 87 VAL H 1 88 ASP H 3.919 2.076 7.236 2.631 2.522 2.876 . 0 0 "[ . 1]" 1
253 1 56 LYS H 1 57 VAL HA 3.763 2.064 6.821 5.337 5.286 5.379 . 0 0 "[ . 1]" 1
254 1 8 HIS HA 1 10 GLN H 3.490 2.029 6.120 4.284 3.931 4.390 . 0 0 "[ . 1]" 1
255 1 9 ILE HA 1 10 GLN H 3.966 2.079 7.363 3.532 3.506 3.572 . 0 0 "[ . 1]" 1
256 1 8 HIS HB3 1 10 GLN H 4.164 2.084 7.908 5.625 5.277 5.884 . 0 0 "[ . 1]" 1
257 1 9 ILE HA 1 12 LEU H 3.884 2.074 7.142 3.798 3.103 4.204 . 0 0 "[ . 1]" 1
258 1 14 SER HA 1 15 ASN H 3.460 2.024 6.045 3.511 3.396 3.564 . 0 0 "[ . 1]" 1
259 1 15 ASN HB3 1 16 ARG H 3.577 2.041 6.342 4.619 4.565 4.660 . 0 0 "[ . 1]" 1
260 1 16 ARG HA 1 17 GLU H 3.598 2.045 6.393 3.526 3.495 3.555 . 0 0 "[ . 1]" 1
261 1 20 VAL HA 1 21 THR H 3.608 2.046 6.420 3.553 3.530 3.564 . 0 0 "[ . 1]" 1
262 1 23 ILE HA 1 24 ARG H 3.471 2.025 6.074 3.558 3.442 3.595 . 0 0 "[ . 1]" 1
263 1 24 ARG HB3 1 25 ASN H 4.038 2.081 7.561 3.637 3.212 4.094 . 0 0 "[ . 1]" 1
264 1 28 CYS H 1 28 CYS HB2 4.161 2.083 7.901 3.233 2.614 3.592 . 0 0 "[ . 1]" 1
265 1 27 GLN HG3 1 28 CYS H 4.493 2.070 8.854 5.115 4.300 5.307 . 0 0 "[ . 1]" 1
266 1 28 CYS H 1 29 LEU HB3 3.839 2.070 7.023 5.428 5.286 5.598 . 0 0 "[ . 1]" 1
267 1 25 ASN HA 1 29 LEU H 3.632 2.049 6.481 5.684 4.981 6.296 . 0 0 "[ . 1]" 1
268 1 29 LEU HA 1 30 VAL H 3.769 2.064 6.838 3.527 3.510 3.542 . 0 0 "[ . 1]" 1
269 1 30 VAL HA 1 31 ASP H 3.580 2.042 6.348 3.592 3.578 3.607 . 0 0 "[ . 1]" 1
270 1 27 GLN HA 1 31 ASP H 3.810 2.068 6.946 4.256 4.032 4.500 . 0 0 "[ . 1]" 1
271 1 29 LEU HA 1 32 ASN H 3.773 2.065 6.847 3.333 3.298 3.400 . 0 0 "[ . 1]" 1
272 1 32 ASN H 1 33 LEU HB3 4.334 2.080 8.391 4.563 4.336 4.841 . 0 0 "[ . 1]" 1
273 1 32 ASN H 1 33 LEU MD1 4.428 2.075 8.663 5.660 5.432 6.297 . 0 0 "[ . 1]" 1
274 1 43 ASP H 1 44 ALA MB 3.522 2.034 6.200 4.150 4.046 4.246 . 0 0 "[ . 1]" 1
275 1 45 GLU HB2 1 46 ILE H 2.807 2.054 4.508 3.858 3.276 4.052 . 0 0 "[ . 1]" 1
276 1 44 ALA MB 1 47 VAL H 4.050 2.082 7.592 4.943 4.805 5.093 . 0 0 "[ . 1]" 1
277 1 56 LYS H 1 57 VAL HB 3.814 2.068 6.957 6.466 6.406 6.532 . 0 0 "[ . 1]" 1
278 1 56 LYS H 1 56 LYS HG3 3.286 . 5.619 4.423 4.263 4.649 . 0 0 "[ . 1]" 1
279 1 57 VAL MG1 1 59 LYS H 3.595 2.044 6.387 5.287 5.187 5.415 . 0 0 "[ . 1]" 1
280 1 62 ASP H 1 63 LEU HG 3.775 2.065 6.853 6.181 4.600 6.672 . 0 0 "[ . 1]" 1
281 1 60 ILE HA 1 63 LEU H 3.482 2.027 6.101 3.513 3.287 3.668 . 0 0 "[ . 1]" 1
282 1 63 LEU HA 1 64 VAL H 3.672 2.054 6.584 3.509 3.487 3.541 . 0 0 "[ . 1]" 1
283 1 64 VAL H 1 66 SER H 4.317 2.081 8.342 4.974 4.565 5.552 . 0 0 "[ . 1]" 1
284 1 65 GLN HA 1 66 SER H 3.681 2.055 6.608 3.453 3.108 3.594 . 0 0 "[ . 1]" 1
285 1 65 GLN HA 1 67 LYS H 3.734 2.066 6.745 5.888 5.569 6.108 . 0 0 "[ . 1]" 1
286 1 69 GLU HA 1 72 SER H 3.904 2.075 7.196 4.139 3.833 4.441 . 0 0 "[ . 1]" 1
287 1 69 GLU HA 1 73 GLU H 4.504 2.070 8.885 4.375 4.174 4.551 . 0 0 "[ . 1]" 1
288 1 73 GLU HA 1 74 PHE H 3.924 2.076 7.250 3.531 3.512 3.555 . 0 0 "[ . 1]" 1
289 1 75 PHE HB2 1 76 LEU H 3.590 2.044 6.373 3.400 2.671 3.798 . 0 0 "[ . 1]" 1
290 1 77 TYR H 1 78 LEU HG 3.720 2.060 6.708 4.302 4.128 4.577 . 0 0 "[ . 1]" 1
291 1 77 TYR HB2 1 78 LEU H 3.466 2.025 6.060 2.988 2.872 3.240 . 0 0 "[ . 1]" 1
292 1 78 LEU H 1 80 GLN HA 4.138 2.083 7.837 6.694 6.608 6.822 . 0 0 "[ . 1]" 1
293 1 77 TYR HA 1 80 GLN H 3.788 2.066 6.888 2.595 2.364 2.749 . 0 0 "[ . 1]" 1
294 1 82 LEU H 1 83 ALA MB 3.694 2.057 6.641 4.358 4.179 4.499 . 0 0 "[ . 1]" 1
295 1 82 LEU MD1 1 83 ALA H 4.215 2.083 8.053 4.177 2.350 4.528 . 0 0 "[ . 1]" 1
296 1 83 ALA MB 1 85 ALA H 3.978 2.079 7.396 4.657 4.568 4.721 . 0 0 "[ . 1]" 1
297 1 84 ASP HA 1 85 ALA H 3.471 2.026 6.072 3.532 3.522 3.546 . 0 0 "[ . 1]" 1
298 1 84 ASP H 1 86 TYR H 4.452 2.074 8.732 4.126 4.034 4.229 . 0 0 "[ . 1]" 1
299 1 83 ALA HA 1 87 VAL H 3.848 2.071 7.047 4.079 3.607 5.164 . 0 0 "[ . 1]" 1
300 1 86 TYR HA 1 87 VAL H 3.977 2.079 7.393 3.554 3.440 3.582 . 0 0 "[ . 1]" 1
301 1 93 LEU HA 1 94 LEU H 3.896 2.074 7.176 3.484 3.422 3.531 . 0 0 "[ . 1]" 1
302 1 91 PRO HA 1 94 LEU H 3.630 2.049 6.476 3.655 3.272 4.391 . 0 0 "[ . 1]" 1
303 1 29 LEU H 1 33 LEU H 3.975 2.079 7.388 5.990 5.822 6.121 . 0 0 "[ . 1]" 1
304 1 32 ASN HA 1 33 LEU H 3.792 2.067 6.897 3.486 3.453 3.500 . 0 0 "[ . 1]" 1
305 1 31 ASP HB3 1 33 LEU H 4.032 2.082 7.542 5.232 4.860 5.821 . 0 0 "[ . 1]" 1
306 1 30 VAL MG1 1 33 LEU H 3.955 2.078 7.334 4.859 4.797 4.932 . 0 0 "[ . 1]" 1
307 1 15 ASN H 1 16 ARG HA 4.488 2.070 8.840 4.385 4.091 4.858 . 0 0 "[ . 1]" 1
308 1 36 ASN HA 1 38 TYR H 3.511 2.031 6.175 4.657 4.397 4.799 . 0 0 "[ . 1]" 1
309 1 28 CYS HB3 1 31 ASP H 4.703 2.048 9.482 6.225 6.025 6.394 . 0 0 "[ . 1]" 1
310 1 31 ASP H 1 34 LEU HB3 4.341 2.079 8.413 5.132 4.445 6.247 . 0 0 "[ . 1]" 1
311 1 31 ASP H 1 33 LEU MD1 4.657 2.055 9.341 5.669 5.257 6.531 . 0 0 "[ . 1]" 1
312 1 28 CYS HA 1 32 ASN H 4.063 2.082 7.629 4.528 4.335 4.762 . 0 0 "[ . 1]" 1
313 1 40 SER H 1 42 GLU HB3 4.799 2.035 9.774 5.617 4.199 6.610 . 0 0 "[ . 1]" 1
314 1 39 PHE HB3 1 44 ALA H 4.012 2.080 7.490 5.603 5.255 5.894 . 0 0 "[ . 1]" 1
315 1 46 ILE HA 1 47 VAL H 3.464 2.024 6.056 3.553 3.543 3.560 . 0 0 "[ . 1]" 1
316 1 47 VAL HB 1 49 ALA H 4.393 2.077 8.562 4.962 4.889 5.057 . 0 0 "[ . 1]" 1
317 1 47 VAL MG1 1 49 ALA H 4.080 2.083 7.675 4.590 4.517 4.666 . 0 0 "[ . 1]" 1
318 1 46 ILE MG 1 49 ALA H 4.146 2.084 7.858 5.017 4.793 5.174 . 0 0 "[ . 1]" 1
319 1 55 ASP HA 1 58 ARG H 3.490 2.028 6.122 3.215 3.089 3.429 . 0 0 "[ . 1]" 1
320 1 57 VAL HA 1 58 ARG H 3.635 2.068 6.490 3.554 3.515 3.607 . 0 0 "[ . 1]" 1
321 1 60 ILE H 1 63 LEU MD1 4.342 2.079 8.415 4.654 4.127 4.831 . 0 0 "[ . 1]" 1
322 1 65 GLN HG3 1 66 SER H 4.597 2.061 9.162 4.693 4.409 5.041 . 0 0 "[ . 1]" 1
323 1 65 GLN HG2 1 66 SER H 4.689 2.050 9.439 4.922 3.719 5.424 . 0 0 "[ . 1]" 1
324 1 81 GLN HA 1 82 LEU H 4.192 2.083 7.988 2.214 2.105 2.294 . 0 0 "[ . 1]" 1
325 1 82 LEU H 1 82 LEU HB2 4.178 2.084 7.947 2.563 2.376 3.612 . 0 0 "[ . 1]" 1
326 1 82 LEU HB3 1 83 ALA H 3.775 2.065 6.853 3.441 2.955 4.070 . 0 0 "[ . 1]" 1
327 1 92 TRP HA 1 93 LEU H 3.993 2.080 7.436 3.577 3.546 3.600 . 0 0 "[ . 1]" 1
328 1 92 TRP HA 1 95 GLU H 3.830 2.070 6.998 3.751 3.154 4.477 . 0 0 "[ . 1]" 1
329 1 11 LEU H 1 13 LYS H 3.581 2.043 6.349 4.478 4.263 4.805 . 0 0 "[ . 1]" 1
330 1 13 LYS H 1 15 ASN H 4.395 2.077 8.567 4.260 4.090 4.462 . 0 0 "[ . 1]" 1
331 1 24 ARG H 1 26 THR H 4.398 2.077 8.576 4.514 4.098 5.090 . 0 0 "[ . 1]" 1
332 1 44 ALA H 1 47 VAL H 3.796 2.067 6.908 5.138 4.958 5.248 . 0 0 "[ . 1]" 1
333 1 76 LEU H 1 78 LEU H 4.581 2.063 9.113 4.030 3.888 4.219 . 0 0 "[ . 1]" 1
334 1 13 LYS HB3 1 14 SER H 3.520 2.033 6.134 3.986 3.597 4.197 . 0 0 "[ . 1]" 1
335 1 36 ASN HA 1 37 ASP H 4.268 2.082 8.203 3.369 3.346 3.389 . 0 0 "[ . 1]" 1
336 1 3 MET HA 1 4 GLU H 3.399 2.013 5.894 2.791 2.117 3.546 . 0 0 "[ . 1]" 1
337 1 74 PHE HE1 1 75 PHE H 3.803 2.068 6.926 7.150 6.991 7.301 0.375 8 0 "[ . 1]" 1
338 1 20 VAL HA 1 23 ILE H 4.401 2.076 8.586 4.504 4.055 4.894 . 0 0 "[ . 1]" 1
339 1 9 ILE H 1 11 LEU H 3.911 2.076 7.214 4.282 3.936 4.589 . 0 0 "[ . 1]" 1
340 1 10 GLN H 1 12 LEU H 3.961 2.079 7.349 4.226 3.692 4.474 . 0 0 "[ . 1]" 1
341 1 12 LEU H 1 14 SER H 4.415 2.076 8.625 4.199 4.014 4.422 . 0 0 "[ . 1]" 1
342 1 13 LYS HA 1 17 GLU H 3.510 2.032 6.170 5.607 5.155 6.175 0.004 1 0 "[ . 1]" 1
343 1 14 SER HA 1 16 ARG H 4.817 2.033 9.828 3.844 3.719 3.995 . 0 0 "[ . 1]" 1
344 1 14 SER H 1 16 ARG H 4.901 2.018 10.090 4.163 4.053 4.270 . 0 0 "[ . 1]" 1
345 1 15 ASN HA 1 17 GLU H 5.026 . 10.484 3.723 3.317 4.018 . 0 0 "[ . 1]" 1
346 1 19 LEU HA 1 21 THR H 4.590 2.062 9.140 4.505 4.413 4.662 . 0 0 "[ . 1]" 1
347 1 21 THR H 1 23 ILE H 3.657 2.052 6.546 4.932 4.507 5.250 . 0 0 "[ . 1]" 1
348 1 31 ASP HA 1 34 LEU H 3.688 2.056 6.626 3.213 2.935 3.490 . 0 0 "[ . 1]" 1
349 1 31 ASP HA 1 35 LYS H 3.691 2.056 6.634 4.116 3.800 4.319 . 0 0 "[ . 1]" 1
350 1 6 HIS HA 1 9 ILE H 4.502 2.070 8.880 4.431 3.875 5.037 . 0 0 "[ . 1]" 1
351 1 35 LYS HA 1 37 ASP H 3.970 2.078 7.376 4.481 4.321 4.609 . 0 0 "[ . 1]" 1
352 1 35 LYS H 1 37 ASP H 4.236 2.083 8.111 3.854 3.696 3.944 . 0 0 "[ . 1]" 1
353 1 37 ASP HA 1 40 SER H 3.571 2.041 6.325 6.051 5.545 6.467 0.142 10 0 "[ . 1]" 1
354 1 42 GLU H 1 44 ALA H 4.616 2.059 9.219 3.905 3.689 4.033 . 0 0 "[ . 1]" 1
355 1 43 ASP H 1 45 GLU H 4.989 2.003 10.364 4.119 3.886 4.279 . 0 0 "[ . 1]" 1
356 1 50 CYS H 1 51 PRO HD2 4.237 2.083 8.114 2.572 2.462 2.727 . 0 0 "[ . 1]" 1
357 1 47 VAL HA 1 50 CYS H 3.710 2.058 6.684 4.421 4.168 4.656 . 0 0 "[ . 1]" 1
358 1 47 VAL HA 1 48 CYS H 3.665 2.053 6.567 3.522 3.492 3.550 . 0 0 "[ . 1]" 1
359 1 55 ASP HA 1 56 LYS H 3.504 2.031 6.155 3.480 3.462 3.509 . 0 0 "[ . 1]" 1
360 1 55 ASP HA 1 59 LYS H 4.932 2.014 10.184 4.375 4.231 4.858 . 0 0 "[ . 1]" 1
361 1 57 VAL HA 1 59 LYS H 4.478 2.072 8.809 4.093 3.953 4.296 . 0 0 "[ . 1]" 1
362 1 58 ARG HA 1 60 ILE H 3.758 2.063 6.809 4.425 4.231 4.600 . 0 0 "[ . 1]" 1
363 1 60 ILE HA 1 64 VAL H 3.522 2.033 6.202 4.296 4.052 4.572 . 0 0 "[ . 1]" 1
364 1 57 VAL H 1 58 ARG HA 3.999 2.080 7.453 5.238 5.174 5.285 . 0 0 "[ . 1]" 1
365 1 64 VAL HA 1 66 SER H 4.919 2.046 6.434 3.997 3.785 4.246 . 0 0 "[ . 1]" 1
366 1 72 SER HA 1 74 PHE H 4.218 2.083 8.061 4.537 4.322 4.698 . 0 0 "[ . 1]" 1
367 1 73 GLU H 1 75 PHE H 4.635 2.057 9.275 4.316 4.238 4.460 . 0 0 "[ . 1]" 1
368 1 74 PHE H 1 76 LEU H 4.480 2.071 8.816 4.485 4.416 4.563 . 0 0 "[ . 1]" 1
369 1 75 PHE HA 1 78 LEU H 4.324 2.081 8.361 3.380 3.247 3.658 . 0 0 "[ . 1]" 1
370 1 78 LEU H 1 80 GLN H 4.881 2.022 10.027 3.867 3.778 4.016 . 0 0 "[ . 1]" 1
371 1 80 GLN H 1 82 LEU H 3.800 2.067 6.919 5.372 4.749 5.683 . 0 0 "[ . 1]" 1
372 1 82 LEU H 1 84 ASP H 4.099 2.083 7.728 4.187 3.995 4.331 . 0 0 "[ . 1]" 1
373 1 82 LEU HA 1 84 ASP H 4.724 2.047 9.543 4.488 4.260 4.760 . 0 0 "[ . 1]" 1
374 1 93 LEU H 1 94 LEU H 3.163 . 5.325 2.595 2.489 2.652 . 0 0 "[ . 1]" 1
375 1 94 LEU HA 1 95 GLU H 4.145 2.083 7.857 3.511 3.489 3.562 . 0 0 "[ . 1]" 1
376 1 98 PHE H 1 99 SER H 4.633 2.057 9.270 3.298 2.424 4.405 . 0 0 "[ . 1]" 1
377 1 68 GLY H 1 68 GLY HA3 2.913 . 4.745 2.322 2.278 2.646 . 0 0 "[ . 1]" 1
378 1 67 LYS HA 1 68 GLY H 3.232 . 5.489 3.483 2.670 3.595 . 0 0 "[ . 1]" 1
379 1 61 LEU HB3 1 68 GLY H 3.114 . 5.207 5.333 4.552 5.517 0.310 5 0 "[ . 1]" 1
380 1 61 LEU HG 1 68 GLY H 3.870 2.073 7.105 5.447 4.403 6.879 . 0 0 "[ . 1]" 1
381 1 51 PRO HB2 1 52 THR H 3.970 2.079 7.374 3.979 3.860 4.096 . 0 0 "[ . 1]" 1
382 1 52 THR H 1 52 THR HA 2.931 . 4.787 2.241 2.234 2.250 . 0 0 "[ . 1]" 1
383 1 52 THR H 1 56 LYS H 4.286 2.081 8.255 5.458 5.310 5.570 . 0 0 "[ . 1]" 1
384 1 64 VAL HA 1 68 GLY H 4.697 2.050 9.462 4.704 4.501 5.929 . 0 0 "[ . 1]" 1
385 1 39 PHE H 1 40 SER H 4.799 2.035 9.774 3.087 2.524 3.434 . 0 0 "[ . 1]" 1
386 1 40 SER HA 1 43 ASP H 4.347 2.080 8.428 4.856 4.749 5.282 . 0 0 "[ . 1]" 1
387 1 40 SER H 1 41 ALA H 4.415 2.076 8.625 4.454 4.410 4.496 . 0 0 "[ . 1]" 1
388 1 33 LEU H 1 35 LYS H 3.848 2.071 7.047 3.803 3.581 3.967 . 0 0 "[ . 1]" 1
389 1 59 LYS H 1 61 LEU H 4.390 2.077 8.553 4.397 4.146 4.705 . 0 0 "[ . 1]" 1
390 1 70 GLU H 1 73 GLU H 4.255 2.083 8.165 5.106 5.001 5.281 . 0 0 "[ . 1]" 1
391 1 71 VAL H 1 73 GLU H 4.794 2.036 9.758 4.448 4.353 4.623 . 0 0 "[ . 1]" 1
392 1 85 ALA H 1 87 VAL H 4.820 2.032 9.838 4.373 4.105 4.588 . 0 0 "[ . 1]" 1
393 1 49 ALA HA 1 49 ALA MB 2.218 . 3.280 2.122 2.116 2.125 . 0 0 "[ . 1]" 1
394 1 30 VAL HB 1 30 VAL MG1 2.202 . 3.250 2.131 2.128 2.135 . 0 0 "[ . 1]" 1
395 1 16 ARG HB2 1 17 GLU H 2.251 . 3.345 3.252 2.700 3.521 0.175 10 0 "[ . 1]" 1
396 1 46 ILE MD 1 46 ILE HG12 2.469 . 3.785 2.112 2.108 2.116 . 0 0 "[ . 1]" 1
397 1 46 ILE HB 1 46 ILE MD 2.667 . 4.202 3.230 3.219 3.237 . 0 0 "[ . 1]" 1
398 1 9 ILE HB 1 9 ILE MD 2.674 . 4.218 2.464 2.400 2.535 . 0 0 "[ . 1]" 1
399 1 57 VAL HB 1 60 ILE MD 2.546 . 3.946 2.811 2.409 3.376 . 0 0 "[ . 1]" 1
400 1 9 ILE HB 1 9 ILE MG 2.692 . 4.256 2.117 2.101 2.125 . 0 0 "[ . 1]" 1
401 1 46 ILE MG 1 47 VAL HA 2.766 . 4.418 3.483 3.285 3.630 . 0 0 "[ . 1]" 1
402 1 46 ILE HA 1 46 ILE MG 2.637 . 4.140 2.350 2.278 2.421 . 0 0 "[ . 1]" 1
403 1 44 ALA HA 1 44 ALA MB 2.363 . 3.569 2.129 2.123 2.136 . 0 0 "[ . 1]" 1
404 1 41 ALA HA 1 44 ALA MB 2.672 . 4.215 1.919 1.666 2.116 0.149 6 0 "[ . 1]" 1
405 1 83 ALA HA 1 83 ALA MB 2.764 . 4.415 2.123 2.107 2.131 . 0 0 "[ . 1]" 1
406 1 30 VAL HA 1 30 VAL MG2 2.618 . 4.098 3.186 3.157 3.216 . 0 0 "[ . 1]" 1
407 1 52 THR HB 1 52 THR MG 2.843 . 4.589 2.128 2.120 2.132 . 0 0 "[ . 1]" 1
408 1 71 VAL HA 1 71 VAL MG2 2.748 . 4.379 3.219 3.209 3.228 . 0 0 "[ . 1]" 1
409 1 57 VAL HA 1 57 VAL MG2 2.737 . 4.355 3.223 3.203 3.232 . 0 0 "[ . 1]" 1
410 1 30 VAL HA 1 30 VAL MG1 2.798 . 4.488 2.261 2.208 2.327 . 0 0 "[ . 1]" 1
411 1 12 LEU HA 1 12 LEU MD1 2.718 . 4.315 2.721 2.043 3.785 . 0 0 "[ . 1]" 1
412 1 71 VAL HA 1 71 VAL MG1 2.728 . 4.335 2.323 2.253 2.369 . 0 0 "[ . 1]" 1
413 1 57 VAL HA 1 57 VAL MG1 2.717 . 4.312 2.395 2.363 2.547 . 0 0 "[ . 1]" 1
414 1 47 VAL HA 1 47 VAL MG1 2.876 . 4.663 2.391 2.351 2.448 . 0 0 "[ . 1]" 1
415 1 61 LEU HB3 1 61 LEU MD2 2.827 . 4.553 2.738 2.296 3.208 . 0 0 "[ . 1]" 1
416 1 20 VAL HA 1 20 VAL MG1 2.724 . 4.328 2.827 2.409 3.229 . 0 0 "[ . 1]" 1
417 1 33 LEU HB3 1 33 LEU MD1 2.767 . 4.421 2.625 2.151 3.176 . 0 0 "[ . 1]" 1
418 1 33 LEU HB2 1 33 LEU MD1 2.524 . 3.901 2.800 2.223 3.191 . 0 0 "[ . 1]" 1
419 1 96 ILE HB 1 96 ILE HG13 2.556 . 3.967 2.957 2.474 3.027 . 0 0 "[ . 1]" 1
420 1 30 VAL HA 1 33 LEU MD1 2.851 . 4.608 3.431 3.050 4.181 . 0 0 "[ . 1]" 1
421 1 35 LYS HB2 1 35 LYS HG2 2.768 . 4.424 2.485 2.392 2.582 . 0 0 "[ . 1]" 1
422 1 35 LYS HB3 1 35 LYS HG2 2.867 . 4.644 2.384 2.314 2.465 . 0 0 "[ . 1]" 1
423 1 63 LEU HB2 1 63 LEU MD1 2.685 . 4.242 2.322 2.170 2.408 . 0 0 "[ . 1]" 1
424 1 63 LEU HB3 1 63 LEU MD1 2.834 . 4.569 3.095 2.601 3.215 . 0 0 "[ . 1]" 1
425 1 59 LYS HA 1 59 LYS HD2 2.829 . 4.559 4.552 4.297 4.742 0.183 9 0 "[ . 1]" 1
426 1 61 LEU MD1 1 61 LEU MD2 2.770 . 4.428 2.081 2.048 2.111 . 0 0 "[ . 1]" 1
427 1 45 GLU HB3 1 46 ILE HG12 2.675 . 4.221 3.641 3.377 4.239 0.018 5 0 "[ . 1]" 1
428 1 46 ILE HB 1 46 ILE HG12 2.730 . 4.339 2.393 2.354 2.425 . 0 0 "[ . 1]" 1
429 1 42 GLU HA 1 42 GLU HB3 2.674 . 4.218 2.682 2.428 3.026 . 0 0 "[ . 1]" 1
430 1 42 GLU HA 1 42 GLU HB2 2.789 . 4.470 2.811 2.444 3.028 . 0 0 "[ . 1]" 1
431 1 13 LYS HA 1 13 LYS HB3 2.649 . 4.165 2.520 2.377 2.761 . 0 0 "[ . 1]" 1
432 1 57 VAL HA 1 60 ILE HB 2.871 . 4.651 4.527 4.361 4.680 0.028 10 0 "[ . 1]" 1
433 1 60 ILE HB 1 60 ILE MG 2.772 . 4.432 2.116 2.108 2.126 . 0 0 "[ . 1]" 1
434 1 60 ILE HB 1 60 ILE MD 2.581 . 4.019 2.538 2.476 2.633 . 0 0 "[ . 1]" 1
435 1 37 ASP HA 1 37 ASP HB3 2.737 . 4.355 2.873 2.472 3.029 . 0 0 "[ . 1]" 1
436 1 31 ASP HA 1 31 ASP HB2 2.591 . 4.042 2.582 2.442 2.710 . 0 0 "[ . 1]" 1
437 1 12 LEU HA 1 12 LEU HB2 2.820 . 4.537 2.919 2.514 3.004 . 0 0 "[ . 1]" 1
438 1 76 LEU HB3 1 76 LEU MD2 2.746 . 4.375 2.171 2.141 2.235 . 0 0 "[ . 1]" 1
439 1 35 LYS HE2 1 35 LYS HG2 2.877 . 4.664 2.813 2.406 3.737 . 0 0 "[ . 1]" 1
440 1 63 LEU HB3 1 63 LEU HG 2.645 . 4.157 2.596 2.458 2.986 . 0 0 "[ . 1]" 1
441 1 7 PRO HD3 1 7 PRO HG3 2.731 . 4.342 2.296 2.267 2.330 . 0 0 "[ . 1]" 1
442 1 63 LEU HA 1 63 LEU HB3 2.994 . 4.931 2.618 2.501 2.693 . 0 0 "[ . 1]" 1
443 1 59 LYS HA 1 62 ASP HB3 3.023 . 4.998 3.094 2.348 4.170 . 0 0 "[ . 1]" 1
444 1 61 LEU HA 1 61 LEU MD2 2.626 . 4.116 3.785 3.616 3.833 . 0 0 "[ . 1]" 1
445 1 61 LEU HA 1 61 LEU HG 2.858 . 4.622 3.199 2.624 4.197 . 0 0 "[ . 1]" 1
446 1 60 ILE HB 1 61 LEU HA 3.060 . 5.083 4.432 4.267 4.591 . 0 0 "[ . 1]" 1
447 1 61 LEU HA 1 64 VAL HB 3.104 . 5.185 3.224 2.667 3.473 . 0 0 "[ . 1]" 1
448 1 29 LEU HA 1 29 LEU HB2 2.832 . 4.564 2.553 2.500 2.631 . 0 0 "[ . 1]" 1
449 1 18 LEU HA 1 18 LEU MD1 2.838 . 4.577 2.215 1.959 3.645 . 0 0 "[ . 1]" 1
450 1 67 LYS HA 1 67 LYS HB2 2.875 . 4.661 3.011 2.958 3.031 . 0 0 "[ . 1]" 1
451 1 67 LYS HA 1 67 LYS HB3 2.851 . 4.608 2.517 2.426 2.697 . 0 0 "[ . 1]" 1
452 1 62 ASP HA 1 62 ASP HB2 2.730 . 4.339 2.737 2.542 2.988 . 0 0 "[ . 1]" 1
453 1 12 LEU HA 1 12 LEU HB3 2.874 . 4.658 2.690 2.506 3.008 . 0 0 "[ . 1]" 1
454 1 18 LEU HA 1 18 LEU HB3 2.677 . 4.225 3.018 3.000 3.022 . 0 0 "[ . 1]" 1
455 1 5 SER HA 1 5 SER HB2 2.760 . 4.405 2.875 2.514 3.033 . 0 0 "[ . 1]" 1
456 1 19 LEU HA 1 19 LEU MD1 2.802 . 4.498 2.451 2.283 2.652 . 0 0 "[ . 1]" 1
457 1 98 PHE HA 1 98 PHE HB3 2.827 . 4.553 2.746 2.377 3.028 . 0 0 "[ . 1]" 1
458 1 69 GLU HA 1 69 GLU HB3 2.830 . 4.560 3.022 3.005 3.029 . 0 0 "[ . 1]" 1
459 1 65 GLN HA 1 65 GLN HG2 3.066 . 5.096 2.647 2.403 3.156 . 0 0 "[ . 1]" 1
460 1 45 GLU HA 1 45 GLU HG2 2.672 . 4.213 3.402 2.913 3.856 . 0 0 "[ . 1]" 1
461 1 33 LEU HA 1 33 LEU HG 3.058 . 5.078 3.821 3.666 3.908 . 0 0 "[ . 1]" 1
462 1 58 ARG HA 1 61 LEU HB2 3.087 . 5.144 3.241 2.491 5.229 0.085 7 0 "[ . 1]" 1
463 1 73 GLU HG3 1 74 PHE HA 2.934 . 4.793 3.451 3.219 3.667 . 0 0 "[ . 1]" 1
464 1 74 PHE HA 1 74 PHE HB3 2.980 . 4.897 3.027 3.023 3.030 . 0 0 "[ . 1]" 1
465 1 8 HIS HA 1 11 LEU HB3 3.207 . 5.428 2.923 2.247 3.683 . 0 0 "[ . 1]" 1
466 1 46 ILE HA 1 46 ILE HG12 2.921 . 4.764 3.270 3.159 3.335 . 0 0 "[ . 1]" 1
467 1 46 ILE HA 1 46 ILE HG13 2.993 . 4.928 3.726 3.656 3.789 . 0 0 "[ . 1]" 1
468 1 71 VAL HA 1 74 PHE HB2 3.073 . 5.112 3.570 3.333 4.051 . 0 0 "[ . 1]" 1
469 1 54 PRO HA 1 57 VAL MG1 3.211 . 5.439 3.106 1.977 3.268 . 0 0 "[ . 1]" 1
470 1 60 ILE HA 1 63 LEU MD1 3.201 . 5.413 3.417 2.558 3.830 . 0 0 "[ . 1]" 1
471 1 47 VAL HA 1 47 VAL MG2 2.551 . 3.957 2.392 2.362 2.428 . 0 0 "[ . 1]" 1
472 1 64 VAL HA 1 64 VAL MG1 2.629 . 4.121 3.189 3.169 3.202 . 0 0 "[ . 1]" 1
473 1 48 CYS H 1 48 CYS HB2 2.680 . 4.232 3.411 2.695 3.619 . 0 0 "[ . 1]" 1
474 1 66 SER HB2 1 67 LYS H 2.651 . 4.168 2.471 2.058 3.604 . 0 0 "[ . 1]" 1
475 1 20 VAL H 1 20 VAL HB 2.996 . 4.935 2.549 2.512 2.601 . 0 0 "[ . 1]" 1
476 1 13 LYS H 1 13 LYS HB3 2.961 . 4.855 2.498 2.165 2.694 . 0 0 "[ . 1]" 1
477 1 46 ILE HB 1 47 VAL H 3.045 . 5.047 2.398 2.332 2.516 . 0 0 "[ . 1]" 1
478 1 60 ILE H 1 60 ILE HB 2.963 . 4.860 3.659 3.612 3.686 . 0 0 "[ . 1]" 1
479 1 17 GLU H 1 17 GLU HA 2.993 . 4.928 2.801 2.786 2.829 . 0 0 "[ . 1]" 1
480 1 45 GLU H 1 45 GLU HA 2.914 . 4.748 2.812 2.778 2.853 . 0 0 "[ . 1]" 1
481 1 65 GLN HB3 1 65 GLN HG3 2.949 . 4.826 3.004 2.990 3.010 . 0 0 "[ . 1]" 1
482 1 65 GLN HB3 1 65 GLN HG2 2.790 . 4.471 2.396 2.324 2.477 . 0 0 "[ . 1]" 1
483 1 51 PRO HA 1 51 PRO HB3 2.528 . 3.909 2.257 2.254 2.261 . 0 0 "[ . 1]" 1
484 1 51 PRO HA 1 51 PRO HB2 2.433 . 3.711 2.868 2.840 2.890 . 0 0 "[ . 1]" 1
485 1 59 LYS HA 1 59 LYS HD3 3.059 . 5.080 4.041 3.805 4.232 . 0 0 "[ . 1]" 1
486 1 37 ASP HA 1 37 ASP HB2 2.975 . 4.887 2.672 2.468 3.021 . 0 0 "[ . 1]" 1
487 1 4 GLU HA 1 4 GLU HG2 3.304 . 5.662 3.353 2.499 3.775 . 0 0 "[ . 1]" 1
488 1 46 ILE HA 1 46 ILE MD 3.193 . 5.396 2.092 1.874 2.231 0.095 7 0 "[ . 1]" 1
489 1 46 ILE HA 1 46 ILE HB 2.990 . 4.921 3.021 3.015 3.024 . 0 0 "[ . 1]" 1
490 1 46 ILE H 1 46 ILE MD 3.680 2.055 6.605 2.802 2.594 3.067 . 0 0 "[ . 1]" 1
491 1 57 VAL HA 1 60 ILE MD 3.222 . 5.463 2.114 1.966 2.277 0.011 1 0 "[ . 1]" 1
492 1 60 ILE HA 1 60 ILE MD 3.423 2.017 5.954 4.167 4.104 4.206 . 0 0 "[ . 1]" 1
493 1 54 PRO HA 1 54 PRO HB3 2.810 . 4.516 2.248 2.230 2.265 . 0 0 "[ . 1]" 1
494 1 46 ILE HA 1 49 ALA MB 2.847 . 4.598 3.813 3.261 4.347 . 0 0 "[ . 1]" 1
495 1 52 THR HA 1 52 THR MG 2.677 . 4.225 2.404 2.287 3.240 . 0 0 "[ . 1]" 1
496 1 30 VAL MG2 1 72 SER HA 3.384 2.010 5.857 5.392 5.290 5.585 . 0 0 "[ . 1]" 1
497 1 52 THR HB 1 54 PRO HD3 3.070 . 5.106 3.602 2.925 5.114 0.009 5 0 "[ . 1]" 1
498 1 63 LEU HA 1 63 LEU MD1 3.172 . 5.345 2.819 2.352 3.867 . 0 0 "[ . 1]" 1
499 1 59 LYS HG3 1 63 LEU MD1 3.326 . 5.716 3.568 3.036 4.125 . 0 0 "[ . 1]" 1
500 1 31 ASP HA 1 31 ASP HB3 2.706 . 4.288 2.821 2.425 3.013 . 0 0 "[ . 1]" 1
501 1 61 LEU HB3 1 61 LEU MD1 3.150 . 5.294 2.979 2.372 3.220 . 0 0 "[ . 1]" 1
502 1 61 LEU H 1 61 LEU HB3 3.385 2.010 5.860 3.607 3.355 3.676 . 0 0 "[ . 1]" 1
503 1 12 LEU HB3 1 13 LYS H 3.515 2.032 6.184 3.230 2.421 3.726 . 0 0 "[ . 1]" 1
504 1 20 VAL HA 1 20 VAL MG2 2.793 . 4.478 2.332 2.289 2.367 . 0 0 "[ . 1]" 1
505 1 60 ILE HA 1 60 ILE MG 2.974 . 4.886 2.246 2.134 2.347 . 0 0 "[ . 1]" 1
506 1 30 VAL HA 1 33 LEU HB2 3.851 2.072 7.053 3.693 3.088 4.442 . 0 0 "[ . 1]" 1
507 1 30 VAL HA 1 33 LEU HB3 3.677 2.054 6.598 2.554 2.012 3.493 0.042 10 0 "[ . 1]" 1
508 1 30 VAL H 1 30 VAL MG1 2.946 . 4.820 2.468 2.251 2.663 . 0 0 "[ . 1]" 1
509 1 48 CYS HB2 1 49 ALA H 2.990 . 4.921 4.172 4.081 4.254 . 0 0 "[ . 1]" 1
510 1 33 LEU H 1 33 LEU HG 3.235 . 5.496 3.817 2.363 4.651 . 0 0 "[ . 1]" 1
511 1 17 GLU H 1 17 GLU HB2 3.170 . 5.341 2.938 2.498 3.583 . 0 0 "[ . 1]" 1
512 1 65 GLN H 1 65 GLN HG2 3.372 2.008 5.827 4.039 3.547 4.921 . 0 0 "[ . 1]" 1
513 1 86 TYR HB2 1 86 TYR QD 3.474 2.026 6.080 2.425 2.267 2.639 . 0 0 "[ . 1]" 1
514 1 32 ASN HD21 1 60 ILE HB 3.180 . 5.363 3.773 3.173 4.198 . 0 0 "[ . 1]" 1
515 1 60 ILE HB 1 61 LEU H 3.106 . 5.189 3.638 3.501 3.746 . 0 0 "[ . 1]" 1
516 1 38 TYR HB3 1 38 TYR HD1 3.518 2.033 6.191 2.748 2.433 3.755 . 0 0 "[ . 1]" 1
517 1 84 ASP HB3 1 85 ALA H 3.239 . 5.505 2.531 2.452 2.597 . 0 0 "[ . 1]" 1
518 1 43 ASP H 1 43 ASP HB3 3.463 2.024 6.053 2.245 2.097 2.373 . 0 0 "[ . 1]" 1
519 1 39 PHE H 1 39 PHE HB3 3.565 2.040 6.310 3.621 3.500 4.130 . 0 0 "[ . 1]" 1
520 1 39 PHE H 1 39 PHE HB2 3.343 2.002 5.757 2.429 2.193 3.543 . 0 0 "[ . 1]" 1
521 1 63 LEU H 1 63 LEU HB3 3.274 . 5.589 3.532 3.466 3.570 . 0 0 "[ . 1]" 1
522 1 59 LYS HG3 1 62 ASP HB2 3.438 2.020 5.990 6.019 5.794 6.122 0.131 7 0 "[ . 1]" 1
523 1 59 LYS HA 1 59 LYS HG3 3.677 2.054 6.598 3.682 3.569 3.764 . 0 0 "[ . 1]" 1
524 1 59 LYS HA 1 59 LYS HG2 3.585 2.043 6.361 2.804 2.707 2.939 . 0 0 "[ . 1]" 1
525 1 59 LYS HG2 1 60 ILE HA 3.477 2.026 6.089 3.747 3.195 4.309 . 0 0 "[ . 1]" 1
526 1 29 LEU HG 1 76 LEU HB3 3.628 2.048 6.472 6.644 6.537 6.723 0.251 7 0 "[ . 1]" 1
527 1 59 LYS HD3 1 62 ASP HB2 3.452 2.022 6.026 5.835 4.897 6.110 0.084 2 0 "[ . 1]" 1
528 1 7 PRO HD2 1 7 PRO HG3 2.944 . 4.816 2.903 2.673 3.004 . 0 0 "[ . 1]" 1
529 1 16 ARG HD2 1 16 ARG HG3 2.957 . 4.845 2.493 2.271 2.899 . 0 0 "[ . 1]" 1
530 1 70 GLU HA 1 73 GLU HB3 3.209 . 5.434 4.938 4.603 5.364 . 0 0 "[ . 1]" 1
531 1 24 ARG HB2 1 25 ASN HB3 3.212 . 5.440 5.380 5.229 5.622 0.182 2 0 "[ . 1]" 1
532 1 58 ARG HG3 1 59 LYS HB3 3.142 . 5.275 4.512 3.947 4.952 . 0 0 "[ . 1]" 1
533 1 44 ALA HA 1 47 VAL HB 3.082 . 5.134 3.456 3.146 3.814 . 0 0 "[ . 1]" 1
534 1 19 LEU HB3 1 22 HIS HB3 3.177 . 5.357 5.388 5.264 5.503 0.146 9 0 "[ . 1]" 1
535 1 35 LYS HA 1 35 LYS HB3 2.856 . 4.618 2.885 2.729 3.014 . 0 0 "[ . 1]" 1
536 1 51 PRO HB2 1 51 PRO HD3 3.432 2.019 5.975 3.956 3.926 3.990 . 0 0 "[ . 1]" 1
537 1 51 PRO HB2 1 51 PRO HD2 3.388 2.011 5.867 3.032 2.971 3.109 . 0 0 "[ . 1]" 1
538 1 34 LEU MD1 1 67 LYS HB3 3.229 . 5.481 5.111 4.845 5.305 . 0 0 "[ . 1]" 1
539 1 70 GLU HA 1 73 GLU HG3 3.398 2.012 5.893 3.496 3.208 3.875 . 0 0 "[ . 1]" 1
540 1 80 GLN HA 1 81 GLN HG3 3.238 . 5.502 5.568 5.451 5.626 0.124 10 0 "[ . 1]" 1
541 1 9 ILE MD 1 65 GLN HG3 3.193 . 5.396 4.077 3.452 4.758 . 0 0 "[ . 1]" 1
542 1 45 GLU HA 1 45 GLU HG3 2.975 . 4.887 2.762 2.376 3.259 . 0 0 "[ . 1]" 1
543 1 33 LEU HA 1 36 ASN HB2 4.050 2.082 7.592 3.272 3.043 3.666 . 0 0 "[ . 1]" 1
544 1 33 LEU HA 1 36 ASN HB3 4.060 2.082 7.620 4.837 4.686 5.181 . 0 0 "[ . 1]" 1
545 1 61 LEU HB2 1 68 GLY HA3 3.819 2.069 6.969 5.097 4.110 5.479 . 0 0 "[ . 1]" 1
546 1 12 LEU HB2 1 15 ASN HD22 2.976 . 4.889 4.908 4.867 4.958 0.069 2 0 "[ . 1]" 1
547 1 91 PRO HA 1 92 TRP H 3.531 2.035 6.224 3.551 3.511 3.583 . 0 0 "[ . 1]" 1
548 1 74 PHE HA 1 77 TYR H 3.437 2.019 5.989 4.062 3.871 4.496 . 0 0 "[ . 1]" 1
549 1 45 GLU HA 1 46 ILE H 3.488 2.028 6.116 3.539 3.518 3.554 . 0 0 "[ . 1]" 1
550 1 4 GLU HA 1 5 SER H 3.481 2.027 6.098 3.311 2.696 3.569 . 0 0 "[ . 1]" 1
551 1 44 ALA HA 1 47 VAL H 3.327 . 5.717 3.904 3.671 4.131 . 0 0 "[ . 1]" 1
552 1 44 ALA HA 1 45 GLU H 3.522 2.034 6.200 3.555 3.515 3.587 . 0 0 "[ . 1]" 1
553 1 45 GLU HA 1 56 LYS HE3 3.592 2.044 6.378 5.732 5.508 5.977 . 0 0 "[ . 1]" 1
554 1 36 ASN HB2 1 38 TYR HD1 3.970 2.078 7.376 5.011 4.044 6.092 . 0 0 "[ . 1]" 1
555 1 81 GLN HE21 1 81 GLN HG3 3.598 2.045 6.393 2.531 2.242 2.946 . 0 0 "[ . 1]" 1
556 1 81 GLN HE21 1 81 GLN HG2 3.618 2.047 6.446 2.630 2.253 2.949 . 0 0 "[ . 1]" 1
557 1 73 GLU HG2 1 74 PHE H 3.474 2.026 6.080 2.787 2.413 3.080 . 0 0 "[ . 1]" 1
558 1 55 ASP H 1 57 VAL HB 4.224 2.083 8.078 7.391 7.168 7.554 . 0 0 "[ . 1]" 1
559 1 68 GLY H 1 69 GLU HB2 3.646 2.051 6.517 5.157 4.445 5.530 . 0 0 "[ . 1]" 1
560 1 59 LYS H 1 59 LYS HB3 3.441 2.020 5.999 2.226 2.138 2.334 . 0 0 "[ . 1]" 1
561 1 45 GLU HB3 1 46 ILE H 3.493 2.029 6.128 2.747 2.478 3.287 . 0 0 "[ . 1]" 1
562 1 42 GLU H 1 42 GLU HB2 3.850 2.071 7.052 2.535 2.251 2.646 . 0 0 "[ . 1]" 1
563 1 65 GLN H 1 65 GLN HB3 3.287 . 5.622 4.012 3.642 4.132 . 0 0 "[ . 1]" 1
564 1 17 GLU HB2 1 18 LEU H 4.061 2.082 7.623 3.048 2.526 3.916 . 0 0 "[ . 1]" 1
565 1 16 ARG H 1 16 ARG HG3 4.196 2.083 7.999 3.560 3.205 4.008 . 0 0 "[ . 1]" 1
566 1 34 LEU MD2 1 36 ASN H 3.937 2.077 7.285 5.233 4.902 6.233 . 0 0 "[ . 1]" 1
567 1 68 GLY H 1 71 VAL MG1 3.441 2.020 5.999 4.681 4.363 5.096 . 0 0 "[ . 1]" 1
568 1 20 VAL H 1 20 VAL MG1 3.270 . 5.579 3.000 2.163 3.781 . 0 0 "[ . 1]" 1
569 1 44 ALA H 1 59 LYS HD2 4.451 2.074 8.730 6.420 6.039 7.158 . 0 0 "[ . 1]" 1
570 1 54 PRO HG3 1 55 ASP H 4.281 2.082 8.239 4.310 4.093 4.760 . 0 0 "[ . 1]" 1
571 1 59 LYS HB3 1 60 ILE H 4.035 2.081 7.552 2.858 2.748 3.085 . 0 0 "[ . 1]" 1
572 1 16 ARG HB3 1 17 GLU H 4.108 2.083 7.753 3.676 3.051 3.966 . 0 0 "[ . 1]" 1
573 1 57 VAL HB 1 58 ARG H 4.336 2.080 8.397 3.864 3.784 4.006 . 0 0 "[ . 1]" 1
574 1 20 VAL HB 1 21 THR H 4.242 2.083 8.128 3.157 2.404 3.946 . 0 0 "[ . 1]" 1
575 1 36 ASN HB2 1 39 PHE H 4.042 2.081 7.572 3.297 2.797 5.305 . 0 0 "[ . 1]" 1
576 1 73 GLU HA 1 86 TYR QD 3.393 2.011 5.881 5.569 5.177 5.879 . 0 0 "[ . 1]" 1
577 1 30 VAL HA 1 75 PHE HD2 3.888 2.074 7.153 7.170 7.031 7.245 0.091 8 0 "[ . 1]" 1
578 1 64 VAL HA 1 65 GLN H 3.952 2.078 7.325 3.512 3.483 3.544 . 0 0 "[ . 1]" 1
579 1 69 GLU HA 1 69 GLU HG3 3.851 2.072 7.053 2.758 2.534 3.134 . 0 0 "[ . 1]" 1
580 1 69 GLU HA 1 69 GLU HG2 3.874 2.073 7.116 3.151 2.866 3.954 . 0 0 "[ . 1]" 1
581 1 48 CYS HA 1 49 ALA H 3.781 2.065 6.870 3.439 3.411 3.468 . 0 0 "[ . 1]" 1
582 1 72 SER HA 1 75 PHE HB2 3.550 2.038 6.272 3.762 2.803 4.593 . 0 0 "[ . 1]" 1
583 1 14 SER HB3 1 15 ASN H 3.012 . 4.970 3.673 2.546 4.160 . 0 0 "[ . 1]" 1
584 1 10 GLN H 1 11 LEU HB2 3.529 2.034 6.220 5.821 5.034 6.130 . 0 0 "[ . 1]" 1
585 1 60 ILE H 1 60 ILE MD 3.293 . 5.635 3.546 3.450 3.625 . 0 0 "[ . 1]" 1
586 1 9 ILE MG 1 65 GLN HG3 3.678 2.055 6.599 5.553 4.933 6.185 . 0 0 "[ . 1]" 1
587 1 72 SER HA 1 75 PHE HB3 3.614 2.046 6.436 3.839 3.325 4.440 . 0 0 "[ . 1]" 1
588 1 68 GLY HA2 1 71 VAL MG2 3.267 . 5.573 1.956 1.761 2.139 0.225 5 0 "[ . 1]" 1
589 1 33 LEU HA 1 33 LEU HB2 2.977 . 4.892 2.324 2.242 2.363 . 0 0 "[ . 1]" 1
590 1 81 GLN HA 1 83 ALA MB 3.455 2.022 6.034 4.686 4.418 5.099 . 0 0 "[ . 1]" 1
591 1 16 ARG HA 1 16 ARG HG2 3.651 2.052 6.529 3.395 2.618 3.728 . 0 0 "[ . 1]" 1
592 1 9 ILE MD 1 69 GLU HA 3.436 2.019 5.987 5.014 4.307 5.591 . 0 0 "[ . 1]" 1
593 1 34 LEU HA 1 34 LEU MD2 2.899 . 4.715 2.833 2.388 4.049 . 0 0 "[ . 1]" 1
594 1 50 CYS HA 1 51 PRO HD2 2.871 . 4.651 4.554 4.509 4.607 . 0 0 "[ . 1]" 1
595 1 68 GLY HA3 1 71 VAL MG2 3.445 2.021 6.008 3.390 3.274 3.513 . 0 0 "[ . 1]" 1
596 1 70 GLU HA 1 73 GLU HG2 4.306 2.081 8.311 2.660 2.357 3.046 . 0 0 "[ . 1]" 1
597 1 7 PRO HA 1 7 PRO HD2 4.168 2.083 7.921 3.941 3.867 4.071 . 0 0 "[ . 1]" 1
598 1 7 PRO HA 1 7 PRO HG3 3.741 2.061 6.765 3.698 3.198 4.009 . 0 0 "[ . 1]" 1
599 1 14 SER HA 1 15 ASN HA 3.453 2.022 6.029 4.508 4.398 4.587 . 0 0 "[ . 1]" 1
600 1 16 ARG HA 1 19 LEU HB3 3.884 2.073 7.144 4.508 4.215 4.791 . 0 0 "[ . 1]" 1
601 1 36 ASN HA 1 37 ASP HB2 4.287 2.082 8.256 4.342 4.058 4.622 . 0 0 "[ . 1]" 1
602 1 50 CYS HA 1 51 PRO HD3 2.785 . 4.461 3.700 3.670 3.718 . 0 0 "[ . 1]" 1
603 1 51 PRO HA 1 51 PRO HD3 4.086 2.083 7.691 4.007 3.986 4.032 . 0 0 "[ . 1]" 1
604 1 51 PRO HA 1 52 THR HA 4.399 2.077 8.579 5.037 4.993 5.169 . 0 0 "[ . 1]" 1
605 1 56 LYS HA 1 56 LYS HE3 3.268 . 5.576 4.748 4.179 5.389 . 0 0 "[ . 1]" 1
606 1 56 LYS HA 1 59 LYS HB2 3.499 2.030 6.143 3.643 3.137 4.221 . 0 0 "[ . 1]" 1
607 1 56 LYS HA 1 59 LYS HD2 3.188 . 5.382 3.412 3.032 3.888 . 0 0 "[ . 1]" 1
608 1 65 GLN HA 1 65 GLN HG3 3.366 2.006 5.814 2.754 2.490 3.065 . 0 0 "[ . 1]" 1
609 1 61 LEU HB3 1 66 SER HA 4.260 2.083 8.179 6.613 5.685 7.036 . 0 0 "[ . 1]" 1
610 1 66 SER HA 1 69 GLU HG3 4.284 2.082 8.248 5.713 4.786 6.428 . 0 0 "[ . 1]" 1
611 1 65 GLN HA 1 66 SER HA 4.160 2.083 7.899 4.466 4.361 4.545 . 0 0 "[ . 1]" 1
612 1 68 GLY HA2 1 70 GLU HB2 4.287 2.081 8.258 6.925 6.644 7.508 . 0 0 "[ . 1]" 1
613 1 8 HIS HB2 1 69 GLU HA 4.401 2.077 8.584 4.983 4.260 7.754 . 0 0 "[ . 1]" 1
614 1 58 ARG HD3 1 69 GLU HA 4.474 2.072 8.798 8.585 7.890 8.965 0.167 2 0 "[ . 1]" 1
615 1 92 TRP HA 1 92 TRP HD1 3.906 2.076 7.200 2.329 2.035 2.995 0.041 5 0 "[ . 1]" 1
616 1 16 ARG HB2 1 16 ARG HD3 3.476 2.026 6.086 3.467 3.049 3.735 . 0 0 "[ . 1]" 1
617 1 16 ARG HG2 1 18 LEU H 3.613 2.046 6.434 5.128 4.373 6.473 0.039 3 0 "[ . 1]" 1
618 1 16 ARG HA 1 16 ARG HG3 3.393 2.012 5.879 3.821 3.617 3.973 . 0 0 "[ . 1]" 1
619 1 17 GLU H 1 17 GLU HB3 3.412 2.015 5.927 3.293 2.481 3.593 . 0 0 "[ . 1]" 1
620 1 36 ASN HB3 1 39 PHE H 3.974 2.079 7.385 3.674 2.992 5.731 . 0 0 "[ . 1]" 1
621 1 47 VAL MG1 1 59 LYS HB3 3.254 . 5.542 3.920 3.596 4.586 . 0 0 "[ . 1]" 1
622 1 54 PRO HB3 1 57 VAL MG1 3.297 . 5.644 4.888 3.805 5.092 . 0 0 "[ . 1]" 1
623 1 58 ARG HG3 1 59 LYS HB2 3.159 . 5.315 4.035 3.558 4.937 . 0 0 "[ . 1]" 1
624 1 44 ALA H 1 59 LYS HD3 3.909 2.075 7.210 7.009 6.764 7.300 0.090 9 0 "[ . 1]" 1
625 1 47 VAL HA 1 59 LYS HG3 4.350 2.079 8.438 6.898 6.104 7.513 . 0 0 "[ . 1]" 1
626 1 57 VAL MG1 1 60 ILE MD 2.491 . 3.832 2.345 2.036 2.874 . 0 0 "[ . 1]" 1
627 1 60 ILE MD 1 60 ILE MG 2.681 . 4.233 1.837 1.679 1.930 0.140 2 0 "[ . 1]" 1
628 1 61 LEU HB3 1 68 GLY HA3 3.792 2.067 6.897 4.086 2.633 4.549 . 0 0 "[ . 1]" 1
629 1 61 LEU HB2 1 61 LEU MD1 3.069 . 5.103 2.846 2.475 3.200 . 0 0 "[ . 1]" 1
630 1 61 LEU HB2 1 61 LEU MD2 3.331 . 5.727 2.164 2.072 2.389 . 0 0 "[ . 1]" 1
631 1 65 GLN HG3 1 66 SER HA 4.029 2.081 7.535 6.345 5.123 6.750 . 0 0 "[ . 1]" 1
632 1 64 VAL HA 1 67 LYS HB3 4.058 2.082 7.615 6.632 6.402 6.767 . 0 0 "[ . 1]" 1
633 1 71 VAL MG2 1 72 SER HA 3.772 2.064 6.846 3.223 3.061 3.505 . 0 0 "[ . 1]" 1
634 1 67 LYS HB3 1 71 VAL MG2 3.058 . 5.078 3.405 3.262 3.637 . 0 0 "[ . 1]" 1
635 1 76 LEU HB3 1 77 TYR HB2 3.387 2.010 5.866 5.831 5.200 5.975 0.109 1 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 1
_Distance_constraint_stats_list.Viol_count 10
_Distance_constraint_stats_list.Viol_total 21.006
_Distance_constraint_stats_list.Viol_max 0.299
_Distance_constraint_stats_list.Viol_rms 0.0636
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2101
_Distance_constraint_stats_list.Viol_average_violations_only 0.2101
_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 39 PHE 2.101 0.299 4 0 "[ . 1]"
1 56 LYS 2.101 0.299 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 39 PHE HA 1 56 LYS HE3 3.075 . 5.118 5.328 5.200 5.417 0.299 4 0 "[ . 1]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 9
_Distance_constraint_stats_list.Viol_count 10
_Distance_constraint_stats_list.Viol_total 11.767
_Distance_constraint_stats_list.Viol_max 0.270
_Distance_constraint_stats_list.Viol_rms 0.0450
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0131
_Distance_constraint_stats_list.Viol_average_violations_only 0.1177
_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 30 VAL 1.140 0.270 4 0 "[ . 1]"
1 33 LEU 0.000 0.000 . 0 "[ . 1]"
1 34 LEU 0.000 0.000 . 0 "[ . 1]"
1 44 ALA 1.140 0.270 4 0 "[ . 1]"
1 46 ILE 0.037 0.031 9 0 "[ . 1]"
1 47 VAL 0.000 0.000 . 0 "[ . 1]"
1 60 ILE 0.000 0.000 . 0 "[ . 1]"
1 63 LEU 0.037 0.031 9 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 30 VAL MG2 1 34 LEU MD2 6.720 . 9.744 6.429 3.899 6.956 . 0 0 "[ . 1]" 3
2 1 30 VAL MG2 1 44 ALA MB 4.890 . 7.086 7.179 6.943 7.356 0.270 4 0 "[ . 1]" 3
3 1 46 ILE MG 1 47 VAL MG1 5.870 . 8.516 4.835 4.554 4.967 . 0 0 "[ . 1]" 3
4 1 30 VAL MG1 1 60 ILE MD 5.470 . 7.936 5.781 5.675 5.937 . 0 0 "[ . 1]" 3
5 1 47 VAL MG2 1 60 ILE MD 6.750 . 9.792 6.493 5.692 7.040 . 0 0 "[ . 1]" 3
6 1 46 ILE MG 1 63 LEU MD1 6.640 . 9.628 9.213 8.366 9.659 0.031 9 0 "[ . 1]" 3
7 1 47 VAL MG1 1 63 LEU MD1 6.340 . 9.184 5.796 5.332 6.334 . 0 0 "[ . 1]" 3
8 1 30 VAL MG1 1 33 LEU MD1 5.850 . 8.478 3.819 3.482 4.619 . 0 0 "[ . 1]" 3
9 1 33 LEU MD2 1 34 LEU MD2 5.850 . 8.478 5.760 5.322 6.438 . 0 0 "[ . 1]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 75
_Distance_constraint_stats_list.Viol_count 123
_Distance_constraint_stats_list.Viol_total 88.151
_Distance_constraint_stats_list.Viol_max 0.212
_Distance_constraint_stats_list.Viol_rms 0.0345
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0118
_Distance_constraint_stats_list.Viol_average_violations_only 0.0717
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 PRO 0.241 0.064 3 0 "[ . 1]"
1 11 LEU 0.241 0.064 3 0 "[ . 1]"
1 15 ASN 0.025 0.025 10 0 "[ . 1]"
1 16 ARG 0.045 0.040 3 0 "[ . 1]"
1 19 LEU 0.025 0.025 10 0 "[ . 1]"
1 20 VAL 0.045 0.040 3 0 "[ . 1]"
1 26 THR 0.304 0.123 1 0 "[ . 1]"
1 27 GLN 0.911 0.162 10 0 "[ . 1]"
1 28 CYS 0.211 0.102 4 0 "[ . 1]"
1 29 LEU 0.000 0.000 . 0 "[ . 1]"
1 30 VAL 0.309 0.123 1 0 "[ . 1]"
1 31 ASP 1.030 0.162 10 0 "[ . 1]"
1 32 ASN 0.211 0.102 4 0 "[ . 1]"
1 33 LEU 0.000 0.000 . 0 "[ . 1]"
1 34 LEU 0.005 0.005 5 0 "[ . 1]"
1 35 LYS 0.119 0.053 9 0 "[ . 1]"
1 40 SER 0.249 0.056 4 0 "[ . 1]"
1 41 ALA 0.375 0.081 6 0 "[ . 1]"
1 42 GLU 0.566 0.171 2 0 "[ . 1]"
1 43 ASP 0.063 0.061 9 0 "[ . 1]"
1 44 ALA 0.340 0.056 4 0 "[ . 1]"
1 45 GLU 0.375 0.081 6 0 "[ . 1]"
1 46 ILE 0.566 0.171 2 0 "[ . 1]"
1 47 VAL 0.063 0.061 9 0 "[ . 1]"
1 48 CYS 0.091 0.046 2 0 "[ . 1]"
1 51 PRO 1.580 0.200 9 0 "[ . 1]"
1 52 THR 0.152 0.056 4 0 "[ . 1]"
1 53 GLN 0.046 0.033 8 0 "[ . 1]"
1 54 PRO 0.585 0.210 8 0 "[ . 1]"
1 55 ASP 1.751 0.200 9 0 "[ . 1]"
1 56 LYS 0.173 0.056 4 0 "[ . 1]"
1 57 VAL 0.046 0.033 8 0 "[ . 1]"
1 58 ARG 0.585 0.210 8 0 "[ . 1]"
1 59 LYS 0.254 0.172 7 0 "[ . 1]"
1 60 ILE 0.079 0.034 5 0 "[ . 1]"
1 61 LEU 0.000 0.000 . 0 "[ . 1]"
1 62 ASP 0.000 0.000 . 0 "[ . 1]"
1 63 LEU 0.083 0.083 8 0 "[ . 1]"
1 64 VAL 0.058 0.034 5 0 "[ . 1]"
1 65 GLN 0.000 0.000 . 0 "[ . 1]"
1 66 SER 0.000 0.000 . 0 "[ . 1]"
1 68 GLY 0.000 0.000 . 0 "[ . 1]"
1 69 GLU 1.023 0.212 8 0 "[ . 1]"
1 70 GLU 0.129 0.058 9 0 "[ . 1]"
1 71 VAL 0.071 0.063 9 0 "[ . 1]"
1 72 SER 0.037 0.028 4 0 "[ . 1]"
1 73 GLU 1.023 0.212 8 0 "[ . 1]"
1 74 PHE 0.155 0.058 9 0 "[ . 1]"
1 75 PHE 1.047 0.198 4 0 "[ . 1]"
1 76 LEU 0.113 0.075 9 0 "[ . 1]"
1 77 TYR 0.000 0.000 . 0 "[ . 1]"
1 78 LEU 0.026 0.026 7 0 "[ . 1]"
1 79 LEU 0.976 0.198 4 0 "[ . 1]"
1 80 GLN 0.075 0.075 9 0 "[ . 1]"
1 81 GLN 0.176 0.115 2 0 "[ . 1]"
1 82 LEU 0.183 0.097 2 0 "[ . 1]"
1 85 ALA 0.176 0.115 2 0 "[ . 1]"
1 86 TYR 0.183 0.097 2 0 "[ . 1]"
1 89 LEU 0.217 0.128 10 0 "[ . 1]"
1 93 LEU 0.217 0.128 10 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 PRO O 1 11 LEU H 2.100 . 2.400 2.366 2.220 2.464 0.064 3 0 "[ . 1]" 4
2 1 15 ASN O 1 19 LEU N 3.000 2.300 3.700 3.070 2.815 3.298 . 0 0 "[ . 1]" 4
3 1 15 ASN O 1 19 LEU H 2.100 . 2.400 2.132 1.839 2.425 0.025 10 0 "[ . 1]" 4
4 1 16 ARG O 1 20 VAL N 3.000 2.300 3.700 2.831 2.672 3.093 . 0 0 "[ . 1]" 4
5 1 16 ARG O 1 20 VAL H 2.100 . 2.400 1.919 1.760 2.173 0.040 3 0 "[ . 1]" 4
6 1 26 THR O 1 30 VAL N 3.000 2.300 3.700 3.284 2.928 3.464 . 0 0 "[ . 1]" 4
7 1 26 THR O 1 30 VAL H 2.100 . 2.400 2.339 1.974 2.523 0.123 1 0 "[ . 1]" 4
8 1 27 GLN O 1 31 ASP N 3.000 2.300 3.700 3.452 3.216 3.550 . 0 0 "[ . 1]" 4
9 1 27 GLN O 1 31 ASP H 2.100 . 2.400 2.475 2.235 2.562 0.162 10 0 "[ . 1]" 4
10 1 28 CYS O 1 32 ASN N 3.000 2.300 3.700 3.191 3.048 3.341 . 0 0 "[ . 1]" 4
11 1 28 CYS O 1 32 ASN H 2.100 . 2.400 2.324 2.145 2.502 0.102 4 0 "[ . 1]" 4
12 1 29 LEU O 1 33 LEU N 3.000 2.300 3.700 2.711 2.623 2.839 . 0 0 "[ . 1]" 4
13 1 29 LEU O 1 33 LEU H 2.100 . 2.400 1.990 1.859 2.134 . 0 0 "[ . 1]" 4
14 1 30 VAL O 1 34 LEU N 3.000 2.300 3.700 2.852 2.739 3.003 . 0 0 "[ . 1]" 4
15 1 30 VAL O 1 34 LEU H 2.100 . 2.400 1.907 1.795 2.082 0.005 5 0 "[ . 1]" 4
16 1 31 ASP O 1 35 LYS N 3.000 2.300 3.700 3.072 2.728 3.332 . 0 0 "[ . 1]" 4
17 1 31 ASP O 1 35 LYS H 2.100 . 2.400 2.212 1.805 2.453 0.053 9 0 "[ . 1]" 4
18 1 40 SER O 1 44 ALA N 3.000 2.300 3.700 2.753 2.689 2.847 . 0 0 "[ . 1]" 4
19 1 40 SER O 1 44 ALA H 2.100 . 2.400 1.789 1.744 1.893 0.056 4 0 "[ . 1]" 4
20 1 41 ALA O 1 45 GLU N 3.000 2.300 3.700 2.642 2.569 2.740 . 0 0 "[ . 1]" 4
21 1 41 ALA O 1 45 GLU H 2.100 . 2.400 1.768 1.719 1.858 0.081 6 0 "[ . 1]" 4
22 1 42 GLU O 1 46 ILE N 3.000 2.300 3.700 3.306 3.063 3.493 . 0 0 "[ . 1]" 4
23 1 42 GLU O 1 46 ILE H 2.100 . 2.400 2.391 2.125 2.571 0.171 2 0 "[ . 1]" 4
24 1 43 ASP O 1 47 VAL N 3.000 2.300 3.700 3.310 3.045 3.432 . 0 0 "[ . 1]" 4
25 1 43 ASP O 1 47 VAL H 2.100 . 2.400 2.335 2.065 2.461 0.061 9 0 "[ . 1]" 4
26 1 44 ALA O 1 48 CYS N 3.000 2.300 3.700 2.742 2.683 2.878 . 0 0 "[ . 1]" 4
27 1 44 ALA O 1 48 CYS H 2.100 . 2.400 1.853 1.754 2.005 0.046 2 0 "[ . 1]" 4
28 1 51 PRO O 1 55 ASP N 3.000 2.300 3.700 3.353 3.308 3.418 . 0 0 "[ . 1]" 4
29 1 51 PRO O 1 55 ASP H 2.100 . 2.400 2.558 2.507 2.600 0.200 9 0 "[ . 1]" 4
30 1 52 THR O 1 56 LYS N 3.000 2.300 3.700 3.254 3.115 3.358 . 0 0 "[ . 1]" 4
31 1 52 THR O 1 56 LYS H 2.100 . 2.400 2.373 2.226 2.456 0.056 4 0 "[ . 1]" 4
32 1 53 GLN O 1 57 VAL N 3.000 2.300 3.700 2.990 2.739 3.265 . 0 0 "[ . 1]" 4
33 1 53 GLN O 1 57 VAL H 2.100 . 2.400 2.132 1.846 2.433 0.033 8 0 "[ . 1]" 4
34 1 54 PRO O 1 58 ARG N 3.000 2.300 3.700 3.396 3.253 3.577 . 0 0 "[ . 1]" 4
35 1 54 PRO O 1 58 ARG H 2.100 . 2.400 2.447 2.309 2.610 0.210 8 0 "[ . 1]" 4
36 1 55 ASP O 1 59 LYS N 3.000 2.300 3.700 3.030 2.839 3.441 . 0 0 "[ . 1]" 4
37 1 55 ASP O 1 59 LYS H 2.100 . 2.400 2.128 1.893 2.572 0.172 7 0 "[ . 1]" 4
38 1 56 LYS O 1 60 ILE N 3.000 2.300 3.700 3.083 2.830 3.228 . 0 0 "[ . 1]" 4
39 1 56 LYS O 1 60 ILE H 2.100 . 2.400 2.215 1.965 2.421 0.021 1 0 "[ . 1]" 4
40 1 57 VAL O 1 61 LEU N 3.000 2.300 3.700 2.969 2.821 3.139 . 0 0 "[ . 1]" 4
41 1 57 VAL O 1 61 LEU H 2.100 . 2.400 1.994 1.842 2.171 . 0 0 "[ . 1]" 4
42 1 58 ARG O 1 62 ASP N 3.000 2.300 3.700 2.782 2.681 2.973 . 0 0 "[ . 1]" 4
43 1 58 ARG O 1 62 ASP H 2.100 . 2.400 1.976 1.907 2.178 . 0 0 "[ . 1]" 4
44 1 59 LYS O 1 63 LEU N 3.000 2.300 3.700 3.085 2.934 3.396 . 0 0 "[ . 1]" 4
45 1 59 LYS O 1 63 LEU H 2.100 . 2.400 2.166 2.001 2.483 0.083 8 0 "[ . 1]" 4
46 1 60 ILE O 1 64 VAL N 3.000 2.300 3.700 3.162 2.934 3.323 . 0 0 "[ . 1]" 4
47 1 60 ILE O 1 64 VAL H 2.100 . 2.400 2.265 1.989 2.434 0.034 5 0 "[ . 1]" 4
48 1 61 LEU O 1 65 GLN N 3.000 2.300 3.700 2.857 2.742 3.024 . 0 0 "[ . 1]" 4
49 1 61 LEU O 1 65 GLN H 2.100 . 2.400 1.958 1.835 2.125 . 0 0 "[ . 1]" 4
50 1 66 SER O 1 70 GLU N 3.000 2.300 3.700 2.939 2.728 3.062 . 0 0 "[ . 1]" 4
51 1 66 SER O 1 70 GLU H 2.100 . 2.400 1.995 1.804 2.119 . 0 0 "[ . 1]" 4
52 1 68 GLY O 1 72 SER N 3.000 2.300 3.700 2.772 2.701 2.840 . 0 0 "[ . 1]" 4
53 1 68 GLY O 1 72 SER H 2.100 . 2.400 1.865 1.805 1.971 . 0 0 "[ . 1]" 4
54 1 69 GLU O 1 73 GLU N 3.000 2.300 3.700 3.474 3.389 3.598 . 0 0 "[ . 1]" 4
55 1 69 GLU O 1 73 GLU H 2.100 . 2.400 2.502 2.428 2.612 0.212 8 0 "[ . 1]" 4
56 1 70 GLU O 1 74 PHE N 3.000 2.300 3.700 3.178 2.822 3.379 . 0 0 "[ . 1]" 4
57 1 70 GLU O 1 74 PHE H 2.100 . 2.400 2.258 1.893 2.458 0.058 9 0 "[ . 1]" 4
58 1 71 VAL O 1 75 PHE N 3.000 2.300 3.700 2.797 2.681 2.864 . 0 0 "[ . 1]" 4
59 1 71 VAL O 1 75 PHE H 2.100 . 2.400 1.850 1.737 1.912 0.063 9 0 "[ . 1]" 4
60 1 72 SER O 1 76 LEU N 3.000 2.300 3.700 3.153 2.805 3.379 . 0 0 "[ . 1]" 4
61 1 72 SER O 1 76 LEU H 2.100 . 2.400 2.202 1.850 2.428 0.028 4 0 "[ . 1]" 4
62 1 73 GLU O 1 77 TYR N 3.000 2.300 3.700 3.055 2.815 3.203 . 0 0 "[ . 1]" 4
63 1 73 GLU O 1 77 TYR H 2.100 . 2.400 2.188 1.941 2.345 . 0 0 "[ . 1]" 4
64 1 74 PHE O 1 78 LEU N 3.000 2.300 3.700 2.841 2.698 2.901 . 0 0 "[ . 1]" 4
65 1 74 PHE O 1 78 LEU H 2.100 . 2.400 2.006 1.774 2.088 0.026 7 0 "[ . 1]" 4
66 1 75 PHE O 1 79 LEU N 3.000 2.300 3.700 3.445 3.341 3.543 . 0 0 "[ . 1]" 4
67 1 75 PHE O 1 79 LEU H 2.100 . 2.400 2.495 2.370 2.598 0.198 4 0 "[ . 1]" 4
68 1 76 LEU O 1 80 GLN N 3.000 2.300 3.700 2.946 2.696 3.296 . 0 0 "[ . 1]" 4
69 1 76 LEU O 1 80 GLN H 2.100 . 2.400 2.155 1.902 2.475 0.075 9 0 "[ . 1]" 4
70 1 81 GLN O 1 85 ALA N 3.000 2.300 3.700 2.785 2.637 3.036 . 0 0 "[ . 1]" 4
71 1 81 GLN O 1 85 ALA H 2.100 . 2.400 1.862 1.685 2.098 0.115 2 0 "[ . 1]" 4
72 1 82 LEU O 1 86 TYR N 3.000 2.300 3.700 3.105 2.945 3.346 . 0 0 "[ . 1]" 4
73 1 82 LEU O 1 86 TYR H 2.100 . 2.400 2.269 2.003 2.497 0.097 2 0 "[ . 1]" 4
74 1 89 LEU O 1 93 LEU N 3.000 2.300 3.700 3.134 2.904 3.438 . 0 0 "[ . 1]" 4
75 1 89 LEU O 1 93 LEU H 2.100 . 2.400 2.208 1.957 2.528 0.128 10 0 "[ . 1]" 4
stop_
save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 4:41:21 PM GMT (wattos1)