NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
442351 |
2kcj   |
16082 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kcj
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 794
_Distance_constraint_stats_list.Viol_count 2444
_Distance_constraint_stats_list.Viol_total 3868.708
_Distance_constraint_stats_list.Viol_max 0.878
_Distance_constraint_stats_list.Viol_rms 0.0509
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0122
_Distance_constraint_stats_list.Viol_average_violations_only 0.0791
_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 9 MET 2.684 0.102 8 0 "[ . 1 . 2]"
1 10 GLU 1.253 0.234 17 0 "[ . 1 . 2]"
1 11 GLY 0.270 0.031 20 0 "[ . 1 . 2]"
1 12 VAL 2.231 0.331 16 0 "[ . 1 . 2]"
1 13 LEU 6.083 0.172 15 0 "[ . 1 . 2]"
1 14 TYR 2.457 0.188 6 0 "[ . 1 . 2]"
1 15 LYS 0.572 0.174 5 0 "[ . 1 . 2]"
1 16 TRP 0.590 0.065 4 0 "[ . 1 . 2]"
1 17 THR 0.972 0.104 10 0 "[ . 1 . 2]"
1 18 ASN 2.445 0.419 8 0 "[ . 1 . 2]"
1 19 TYR 0.990 0.419 8 0 "[ . 1 . 2]"
1 20 LEU 0.456 0.028 14 0 "[ . 1 . 2]"
1 21 THR 6.823 0.870 17 5 "[ - . * *1 . +* 2]"
1 22 GLY 0.185 0.049 10 0 "[ . 1 . 2]"
1 23 TRP 2.692 0.191 18 0 "[ . 1 . 2]"
1 24 GLN 10.201 0.870 17 6 "[ * -. * *1 . +* 2]"
1 25 PRO 3.454 0.331 16 0 "[ . 1 . 2]"
1 26 ARG 5.133 0.461 16 0 "[ . 1 . 2]"
1 27 TRP 0.801 0.065 6 0 "[ . 1 . 2]"
1 28 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 VAL 1.009 0.234 17 0 "[ . 1 . 2]"
1 30 LEU 1.417 0.127 16 0 "[ . 1 . 2]"
1 31 ASP 1.900 0.164 2 0 "[ . 1 . 2]"
1 32 ASN 5.063 0.327 17 0 "[ . 1 . 2]"
1 33 GLY 0.419 0.127 1 0 "[ . 1 . 2]"
1 34 ILE 4.468 0.312 7 0 "[ . 1 . 2]"
1 35 LEU 5.548 0.164 2 0 "[ . 1 . 2]"
1 36 SER 6.035 0.721 7 6 "[* - . + 1* * . *2]"
1 37 TYR 5.668 0.721 7 6 "[* - . + 1* * . *2]"
1 38 TYR 1.888 0.155 2 0 "[ . 1 . 2]"
1 39 ASP 5.133 0.461 16 0 "[ . 1 . 2]"
1 40 SER 0.283 0.039 10 0 "[ . 1 . 2]"
1 41 GLN 1.950 0.627 7 1 "[ . + 1 . 2]"
1 42 ASP 1.092 0.078 11 0 "[ . 1 . 2]"
1 43 ASP 0.854 0.072 15 0 "[ . 1 . 2]"
1 44 VAL 2.455 0.111 16 0 "[ . 1 . 2]"
1 45 CYS 1.254 0.080 7 0 "[ . 1 . 2]"
1 46 LYS 7.632 0.220 14 0 "[ . 1 . 2]"
1 47 GLY 3.174 0.287 4 0 "[ . 1 . 2]"
1 48 SER 1.615 0.287 4 0 "[ . 1 . 2]"
1 49 LYS 1.668 0.201 14 0 "[ . 1 . 2]"
1 50 GLY 0.248 0.086 13 0 "[ . 1 . 2]"
1 51 SER 5.324 0.773 12 5 "[ - . * *1 + . *2]"
1 52 ILE 6.016 0.773 12 5 "[ - . * *1 + . *2]"
1 53 LYS 2.672 0.456 20 0 "[ . 1 . 2]"
1 54 MET 9.944 0.502 6 1 "[ .+ 1 . 2]"
1 55 ALA 0.627 0.044 20 0 "[ . 1 . 2]"
1 56 VAL 2.248 0.085 14 0 "[ . 1 . 2]"
1 57 CYS 0.605 0.085 14 0 "[ . 1 . 2]"
1 58 GLU 0.281 0.073 1 0 "[ . 1 . 2]"
1 59 ILE 3.354 0.237 11 0 "[ . 1 . 2]"
1 60 LYS 2.594 0.223 6 0 "[ . 1 . 2]"
1 61 VAL 2.568 0.207 3 0 "[ . 1 . 2]"
1 62 HIS 0.285 0.048 19 0 "[ . 1 . 2]"
1 63 SER 0.281 0.048 19 0 "[ . 1 . 2]"
1 64 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ASP 0.258 0.107 14 0 "[ . 1 . 2]"
1 66 ASN 1.064 0.202 6 0 "[ . 1 . 2]"
1 67 THR 5.573 0.180 3 0 "[ . 1 . 2]"
1 68 ARG 5.519 0.548 3 4 "[ + * -* . 2]"
1 69 MET 10.857 0.237 11 0 "[ . 1 . 2]"
1 70 GLU 0.026 0.026 12 0 "[ . 1 . 2]"
1 71 LEU 2.630 0.113 4 0 "[ . 1 . 2]"
1 72 ILE 3.794 0.322 16 0 "[ . 1 . 2]"
1 73 ILE 5.682 0.237 20 0 "[ . 1 . 2]"
1 74 PRO 2.779 0.098 20 0 "[ . 1 . 2]"
1 75 GLY 1.784 0.086 20 0 "[ . 1 . 2]"
1 76 GLU 3.958 0.215 14 0 "[ . 1 . 2]"
1 77 GLN 3.767 0.707 19 4 "[ . - 1** . +2]"
1 78 HIS 1.686 0.322 16 0 "[ . 1 . 2]"
1 79 PHE 0.032 0.014 14 0 "[ . 1 . 2]"
1 80 TYR 4.020 0.395 14 0 "[ . 1 . 2]"
1 81 MET 7.276 0.395 14 0 "[ . 1 . 2]"
1 82 LYS 3.522 0.191 18 0 "[ . 1 . 2]"
1 83 ALA 5.012 0.180 3 0 "[ . 1 . 2]"
1 84 VAL 0.051 0.017 12 0 "[ . 1 . 2]"
1 85 ASN 3.577 0.757 3 1 "[ + . 1 . 2]"
1 86 ALA 3.982 0.757 3 1 "[ + . 1 . 2]"
1 87 ALA 5.417 0.174 14 0 "[ . 1 . 2]"
1 88 GLU 2.563 0.091 13 0 "[ . 1 . 2]"
1 89 ARG 4.361 0.141 19 0 "[ . 1 . 2]"
1 90 GLN 0.882 0.070 6 0 "[ . 1 . 2]"
1 91 ARG 0.915 0.095 16 0 "[ . 1 . 2]"
1 92 TRP 9.016 0.136 8 0 "[ . 1 . 2]"
1 93 LEU 2.529 0.214 12 0 "[ . 1 . 2]"
1 94 VAL 3.280 0.101 8 0 "[ . 1 . 2]"
1 95 ALA 2.162 0.127 16 0 "[ . 1 . 2]"
1 96 LEU 6.732 0.502 6 1 "[ .+ 1 . 2]"
1 97 GLY 0.016 0.016 13 0 "[ . 1 . 2]"
1 98 SER 0.167 0.040 19 0 "[ . 1 . 2]"
1 99 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 LYS 20.815 0.878 14 11 "[ * *. ****- +* * *]"
1 101 ALA 2.340 0.095 15 0 "[ . 1 . 2]"
1 102 SER 0.042 0.019 6 0 "[ . 1 . 2]"
1 103 LEU 2.681 0.468 11 0 "[ . 1 . 2]"
1 104 THR 2.478 0.157 4 0 "[ . 1 . 2]"
1 105 ASP 5.179 0.231 18 0 "[ . 1 . 2]"
1 106 THR 2.009 0.231 18 0 "[ . 1 . 2]"
1 107 ARG 1.926 0.509 5 2 "[ + - . 2]"
1 108 THR 0.394 0.106 8 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 38 TYR QD 1 44 VAL HA 2.514 . 3.304 2.827 2.487 3.065 . 0 0 "[ . 1 . 2]" 1
2 1 27 TRP HD1 1 38 TYR QD 2.645 . 3.519 2.706 2.157 3.194 . 0 0 "[ . 1 . 2]" 1
3 1 19 TYR H 1 19 TYR QD 2.566 . 3.389 2.130 1.731 2.795 0.012 12 0 "[ . 1 . 2]" 1
4 1 13 LEU HB2 1 28 PHE QD 2.639 . 3.509 2.648 2.444 2.878 . 0 0 "[ . 1 . 2]" 1
5 1 92 TRP H 1 92 TRP HD1 2.712 . 3.631 2.798 2.651 2.942 . 0 0 "[ . 1 . 2]" 1
6 1 38 TYR QE 1 48 SER HA 2.715 . 3.636 3.183 1.752 3.791 0.155 2 0 "[ . 1 . 2]" 1
7 1 27 TRP HD1 1 41 GLN HA 2.935 . 4.012 3.904 3.523 4.069 0.057 10 0 "[ . 1 . 2]" 1
8 1 23 TRP H 1 23 TRP HD1 2.761 . 3.714 2.638 2.287 3.062 . 0 0 "[ . 1 . 2]" 1
9 1 80 TYR H 1 80 TYR QD 2.960 . 6.000 4.282 4.172 4.338 . 0 0 "[ . 1 . 2]" 1
10 1 28 PHE HA 1 28 PHE QD 2.992 . 4.111 3.035 2.879 3.139 . 0 0 "[ . 1 . 2]" 1
11 1 13 LEU HB2 1 28 PHE QE 2.963 . 4.061 2.456 2.207 2.831 . 0 0 "[ . 1 . 2]" 1
12 1 28 PHE QE 1 52 ILE HG13 3.087 . 6.000 5.084 4.452 5.516 . 0 0 "[ . 1 . 2]" 1
13 1 19 TYR HA 1 19 TYR QD 2.788 . 3.760 3.739 3.691 3.761 0.001 16 0 "[ . 1 . 2]" 1
14 1 12 VAL H 1 27 TRP HZ3 3.095 . 6.000 4.715 4.453 4.991 . 0 0 "[ . 1 . 2]" 1
15 1 83 ALA HA 1 84 VAL H 2.289 . 2.944 2.571 2.455 2.644 . 0 0 "[ . 1 . 2]" 1
16 1 29 VAL HA 1 30 LEU H 2.496 . 3.275 2.175 2.151 2.206 . 0 0 "[ . 1 . 2]" 1
17 1 30 LEU H 1 30 LEU HB2 2.753 . 3.700 2.723 2.632 2.768 . 0 0 "[ . 1 . 2]" 1
18 1 9 MET HB3 1 30 LEU H 2.624 . 3.485 2.856 2.582 3.158 . 0 0 "[ . 1 . 2]" 1
19 1 12 VAL QG 1 26 ARG H 2.722 . 3.648 3.548 3.126 3.632 . 0 0 "[ . 1 . 2]" 1
20 1 94 VAL MG1 1 95 ALA H 2.659 . 3.543 3.062 2.991 3.094 . 0 0 "[ . 1 . 2]" 1
21 1 61 VAL H 1 61 VAL MG2 2.331 . 3.010 2.979 2.809 3.081 0.071 7 0 "[ . 1 . 2]" 1
22 1 71 LEU H 1 71 LEU HB2 2.628 . 3.491 2.356 2.313 2.402 . 0 0 "[ . 1 . 2]" 1
23 1 103 LEU H 1 103 LEU HB3 2.551 . 3.365 2.583 2.483 2.738 . 0 0 "[ . 1 . 2]" 1
24 1 103 LEU H 1 103 LEU HB2 2.094 . 2.642 2.655 2.418 3.110 0.468 11 0 "[ . 1 . 2]" 1
25 1 102 SER HA 1 103 LEU H 2.197 . 2.801 2.545 2.236 2.820 0.019 6 0 "[ . 1 . 2]" 1
26 1 41 GLN H 1 41 GLN HB3 2.339 . 3.023 2.560 2.396 3.125 0.102 15 0 "[ . 1 . 2]" 1
27 1 41 GLN H 1 41 GLN HB2 2.363 . 3.061 2.499 2.032 2.647 . 0 0 "[ . 1 . 2]" 1
28 1 105 ASP H 1 105 ASP HB2 2.398 . 6.000 2.855 2.313 3.692 . 0 0 "[ . 1 . 2]" 1
29 1 105 ASP H 1 105 ASP HB3 2.221 . 6.000 3.512 2.441 3.895 . 0 0 "[ . 1 . 2]" 1
30 1 104 THR HA 1 105 ASP H 1.971 . 2.457 2.413 2.124 2.614 0.157 4 0 "[ . 1 . 2]" 1
31 1 105 ASP H 1 105 ASP HA 2.133 . 2.702 2.611 2.262 2.921 0.219 6 0 "[ . 1 . 2]" 1
32 1 34 ILE H 1 34 ILE HG13 2.846 . 6.000 4.110 4.021 4.216 . 0 0 "[ . 1 . 2]" 1
33 1 9 MET H 1 30 LEU H 2.778 . 3.742 2.885 2.572 3.468 . 0 0 "[ . 1 . 2]" 1
34 1 13 LEU H 1 26 ARG H 2.661 . 3.546 2.792 2.413 3.423 . 0 0 "[ . 1 . 2]" 1
35 1 95 ALA H 1 96 LEU H 2.518 . 3.311 2.633 2.613 2.649 . 0 0 "[ . 1 . 2]" 1
36 1 94 VAL H 1 95 ALA H 2.388 . 3.101 2.779 2.748 2.812 . 0 0 "[ . 1 . 2]" 1
37 1 15 LYS H 1 24 GLN H 2.729 . 3.660 3.041 2.770 3.314 . 0 0 "[ . 1 . 2]" 1
38 1 67 THR H 1 68 ARG H 2.250 . 6.000 3.473 2.783 4.607 . 0 0 "[ . 1 . 2]" 1
39 1 33 GLY H 1 34 ILE H 2.521 . 3.315 2.643 2.460 2.879 . 0 0 "[ . 1 . 2]" 1
40 1 86 ALA H 1 87 ALA H 2.391 . 3.106 2.908 2.726 3.053 . 0 0 "[ . 1 . 2]" 1
41 1 93 LEU H 1 94 VAL H 2.611 . 3.463 2.707 2.679 2.734 . 0 0 "[ . 1 . 2]" 1
42 1 92 TRP H 1 93 LEU H 2.490 . 3.265 2.547 2.510 2.624 . 0 0 "[ . 1 . 2]" 1
43 1 87 ALA H 1 88 GLU H 2.288 . 2.943 2.721 2.658 2.800 . 0 0 "[ . 1 . 2]" 1
44 1 54 MET H 1 55 ALA H 2.574 . 3.402 2.643 2.575 2.825 . 0 0 "[ . 1 . 2]" 1
45 1 88 GLU H 1 89 ARG H 2.361 . 3.058 2.630 2.537 2.679 . 0 0 "[ . 1 . 2]" 1
46 1 90 GLN H 1 91 ARG H 2.351 . 3.042 2.639 2.535 2.713 . 0 0 "[ . 1 . 2]" 1
47 1 41 GLN H 1 42 ASP H 2.358 . 3.053 2.661 2.468 2.816 . 0 0 "[ . 1 . 2]" 1
48 1 17 THR H 1 18 ASN H 2.472 . 3.236 2.636 2.366 2.901 . 0 0 "[ . 1 . 2]" 1
49 1 75 GLY H 1 76 GLU H 2.385 . 3.096 3.133 3.100 3.182 0.086 20 0 "[ . 1 . 2]" 1
50 1 84 VAL H 1 85 ASN H 2.270 . 2.914 2.878 2.818 2.925 0.011 14 0 "[ . 1 . 2]" 1
51 1 85 ASN H 1 88 GLU H 2.619 . 3.476 3.140 3.041 3.269 . 0 0 "[ . 1 . 2]" 1
52 1 11 GLY H 1 28 PHE H 2.722 . 3.648 3.377 3.072 3.592 . 0 0 "[ . 1 . 2]" 1
53 1 39 ASP H 1 40 SER H 2.392 . 3.107 2.469 2.339 2.592 . 0 0 "[ . 1 . 2]" 1
54 1 55 ALA H 1 56 VAL H 2.579 . 3.410 2.642 2.547 2.716 . 0 0 "[ . 1 . 2]" 1
55 1 56 VAL H 1 57 CYS H 2.203 . 2.809 1.900 1.807 1.955 . 0 0 "[ . 1 . 2]" 1
56 1 96 LEU H 1 97 GLY H 2.641 . 3.513 2.540 2.507 2.579 . 0 0 "[ . 1 . 2]" 1
57 1 32 ASN H 1 33 GLY H 2.597 . 3.440 2.882 2.685 3.092 . 0 0 "[ . 1 . 2]" 1
58 1 67 THR H 1 67 THR HA 2.883 . 3.922 2.400 2.228 2.962 . 0 0 "[ . 1 . 2]" 1
59 1 46 LYS HA 1 47 GLY H 2.564 . 3.386 3.479 3.387 3.536 0.150 15 0 "[ . 1 . 2]" 1
60 1 40 SER H 1 40 SER HA 2.468 . 3.229 2.863 2.819 2.898 . 0 0 "[ . 1 . 2]" 1
61 1 51 SER H 1 51 SER HA 2.591 . 3.430 2.822 2.249 2.944 . 0 0 "[ . 1 . 2]" 1
62 1 103 LEU HA 1 104 THR H 2.189 . 2.788 2.474 2.129 2.856 0.068 20 0 "[ . 1 . 2]" 1
63 1 106 THR H 1 106 THR HA 2.388 . 3.101 2.497 2.239 2.892 . 0 0 "[ . 1 . 2]" 1
64 1 105 ASP HA 1 106 THR H 1.923 . 2.385 2.474 2.293 2.616 0.231 18 0 "[ . 1 . 2]" 1
65 1 36 SER HB3 1 37 TYR H 2.467 . 3.228 3.278 2.809 3.949 0.721 7 6 "[* - . + 1* * . *2]" 1
66 1 48 SER H 1 48 SER HA 2.463 . 3.222 2.844 2.767 2.907 . 0 0 "[ . 1 . 2]" 1
67 1 48 SER H 1 48 SER QB 2.409 . 3.135 2.622 2.192 2.885 . 0 0 "[ . 1 . 2]" 1
68 1 99 SER H 1 99 SER HA 2.412 . 3.139 2.834 2.821 2.842 . 0 0 "[ . 1 . 2]" 1
69 1 43 ASP H 1 43 ASP HA 2.488 . 3.262 2.850 2.821 2.911 . 0 0 "[ . 1 . 2]" 1
70 1 43 ASP H 1 43 ASP HB2 2.451 . 3.202 2.529 2.425 2.647 . 0 0 "[ . 1 . 2]" 1
71 1 95 ALA HA 1 98 SER H 2.748 . 6.000 4.129 3.703 4.355 . 0 0 "[ . 1 . 2]" 1
72 1 80 TYR HB2 1 81 MET H 2.928 . 4.000 4.201 4.066 4.395 0.395 14 0 "[ . 1 . 2]" 1
73 1 92 TRP HB2 1 93 LEU H 2.927 . 3.998 2.761 2.675 2.809 . 0 0 "[ . 1 . 2]" 1
74 1 108 THR H 1 108 THR HA 2.683 . 3.583 2.715 2.251 2.950 . 0 0 "[ . 1 . 2]" 1
75 1 62 HIS HA 1 63 SER H 2.641 . 3.513 2.986 2.121 3.561 0.048 19 0 "[ . 1 . 2]" 1
76 1 77 GLN HA 1 78 HIS H 2.051 . 6.000 2.821 2.615 3.058 . 0 0 "[ . 1 . 2]" 1
77 1 49 LYS H 1 49 LYS HA 2.651 . 3.530 2.911 2.873 2.945 . 0 0 "[ . 1 . 2]" 1
78 1 43 ASP HA 1 46 LYS H 2.892 . 3.937 3.263 2.858 3.654 . 0 0 "[ . 1 . 2]" 1
79 1 85 ASN HB2 1 86 ALA H 2.277 . 2.925 2.288 2.035 3.682 0.757 3 1 "[ + . 1 . 2]" 1
80 1 68 ARG H 1 68 ARG HA 2.825 . 3.822 2.817 2.256 2.947 . 0 0 "[ . 1 . 2]" 1
81 1 66 ASN H 1 66 ASN HB3 2.710 . 3.628 3.233 2.386 3.671 0.043 4 0 "[ . 1 . 2]" 1
82 1 43 ASP HA 1 44 VAL H 2.735 . 3.670 3.407 3.321 3.457 . 0 0 "[ . 1 . 2]" 1
83 1 26 ARG HA 1 27 TRP H 2.545 . 3.355 2.356 2.301 2.450 . 0 0 "[ . 1 . 2]" 1
84 1 23 TRP HA 1 24 GLN H 2.305 . 2.969 2.256 2.167 2.347 . 0 0 "[ . 1 . 2]" 1
85 1 107 ARG H 1 107 ARG HA 2.275 . 2.922 2.897 2.772 2.948 0.026 13 0 "[ . 1 . 2]" 1
86 1 106 THR HA 1 107 ARG H 2.081 . 2.622 2.385 2.115 2.693 0.071 20 0 "[ . 1 . 2]" 1
87 1 60 LYS HA 1 61 VAL H 2.125 . 2.689 2.095 2.032 2.129 . 0 0 "[ . 1 . 2]" 1
88 1 80 TYR H 1 80 TYR HB3 2.649 . 3.526 2.656 2.484 2.920 . 0 0 "[ . 1 . 2]" 1
89 1 58 GLU HA 1 59 ILE H 2.145 . 2.720 2.128 2.104 2.169 . 0 0 "[ . 1 . 2]" 1
90 1 78 HIS HA 1 79 PHE H 2.272 . 2.917 2.791 2.633 2.931 0.014 14 0 "[ . 1 . 2]" 1
91 1 79 PHE H 1 79 PHE HA 2.813 . 3.802 2.939 2.914 2.947 . 0 0 "[ . 1 . 2]" 1
92 1 79 PHE H 1 79 PHE HB3 2.897 . 3.946 3.705 3.641 3.760 . 0 0 "[ . 1 . 2]" 1
93 1 57 CYS HA 1 58 GLU H 2.309 . 2.975 2.155 2.130 2.191 . 0 0 "[ . 1 . 2]" 1
94 1 58 GLU H 1 58 GLU HA 2.988 . 4.104 2.903 2.888 2.911 . 0 0 "[ . 1 . 2]" 1
95 1 83 ALA H 1 83 ALA HA 2.200 . 2.805 2.868 2.845 2.888 0.083 4 0 "[ . 1 . 2]" 1
96 1 60 LYS H 1 60 LYS HA 2.824 . 3.821 2.905 2.896 2.935 . 0 0 "[ . 1 . 2]" 1
97 1 59 ILE HA 1 60 LYS H 2.264 . 2.904 2.142 2.103 2.169 . 0 0 "[ . 1 . 2]" 1
98 1 28 PHE H 1 28 PHE HB3 2.873 . 3.905 3.762 3.709 3.815 . 0 0 "[ . 1 . 2]" 1
99 1 73 ILE H 1 73 ILE HG13 2.814 . 3.804 3.987 3.952 4.041 0.237 20 0 "[ . 1 . 2]" 1
100 1 60 LYS H 1 60 LYS HB3 2.920 . 3.986 3.650 3.632 3.734 . 0 0 "[ . 1 . 2]" 1
101 1 53 LYS H 1 53 LYS HG2 2.881 . 6.000 4.131 3.981 4.289 . 0 0 "[ . 1 . 2]" 1
102 1 53 LYS H 1 53 LYS HB2 2.432 . 3.171 2.938 2.788 3.100 . 0 0 "[ . 1 . 2]" 1
103 1 62 HIS H 1 62 HIS HB3 2.786 . 3.756 3.129 2.353 3.741 . 0 0 "[ . 1 . 2]" 1
104 1 12 VAL QG 1 13 LEU H . . 2.682 2.740 2.586 2.770 0.088 4 0 "[ . 1 . 2]" 1
105 1 13 LEU H 1 13 LEU HB2 2.997 . 4.120 2.668 2.570 2.702 . 0 0 "[ . 1 . 2]" 1
106 1 32 ASN H 1 32 ASN HB3 2.820 . 3.814 3.791 3.574 4.059 0.245 15 0 "[ . 1 . 2]" 1
107 1 58 GLU H 1 58 GLU QB 2.714 . 3.635 2.389 2.128 2.662 . 0 0 "[ . 1 . 2]" 1
108 1 59 ILE H 1 59 ILE HG13 2.609 . 6.000 4.212 4.187 4.238 . 0 0 "[ . 1 . 2]" 1
109 1 58 GLU QB 1 59 ILE H 2.825 . 3.822 3.124 2.906 3.506 . 0 0 "[ . 1 . 2]" 1
110 1 94 VAL MG2 1 95 ALA H 2.682 . 6.000 3.875 3.854 3.901 . 0 0 "[ . 1 . 2]" 1
111 1 34 ILE MG 1 52 ILE H 2.952 . 4.041 3.074 2.835 3.323 . 0 0 "[ . 1 . 2]" 1
112 1 24 GLN H 1 24 GLN HB2 2.610 . 3.462 2.653 2.563 2.748 . 0 0 "[ . 1 . 2]" 1
113 1 17 THR MG 1 24 GLN H 2.813 . 3.802 3.509 3.067 3.889 0.087 10 0 "[ . 1 . 2]" 1
114 1 68 ARG H 1 68 ARG HB2 2.887 . 3.929 3.261 2.530 3.932 0.003 19 0 "[ . 1 . 2]" 1
115 1 68 ARG H 1 68 ARG HB3 2.519 . 3.312 3.483 2.655 3.860 0.548 3 4 "[ + * -* . 2]" 1
116 1 66 ASN H 1 66 ASN HB2 2.548 . 3.359 2.792 2.290 3.561 0.202 6 0 "[ . 1 . 2]" 1
117 1 31 ASP H 1 35 LEU MD2 2.911 . 3.970 4.065 4.012 4.134 0.164 2 0 "[ . 1 . 2]" 1
118 1 100 LYS HB2 1 101 ALA H 2.716 . 6.000 3.875 3.442 4.272 . 0 0 "[ . 1 . 2]" 1
119 1 44 VAL H 1 46 LYS HG2 3.039 . 4.193 4.256 4.213 4.304 0.111 16 0 "[ . 1 . 2]" 1
120 1 44 VAL H 1 44 VAL MG1 2.532 . 6.000 3.770 3.760 3.778 . 0 0 "[ . 1 . 2]" 1
121 1 46 LYS H 1 46 LYS HD2 2.672 . 3.564 3.685 3.586 3.784 0.220 14 0 "[ . 1 . 2]" 1
122 1 49 LYS H 1 49 LYS HD3 2.725 . 3.653 3.301 2.954 3.636 . 0 0 "[ . 1 . 2]" 1
123 1 82 LYS H 1 82 LYS QB 2.916 . 3.580 2.660 2.576 2.769 . 0 0 "[ . 1 . 2]" 1
124 1 20 LEU H 1 20 LEU HB3 2.536 . 6.000 3.592 3.584 3.606 . 0 0 "[ . 1 . 2]" 1
125 1 20 LEU H 1 20 LEU HB2 2.258 . 2.896 2.427 2.381 2.466 . 0 0 "[ . 1 . 2]" 1
126 1 77 GLN QB 1 78 HIS H 2.819 . 3.739 1.817 1.726 2.147 0.100 4 0 "[ . 1 . 2]" 1
127 1 78 HIS H 1 78 HIS HB2 2.628 . 3.491 3.157 3.086 3.241 . 0 0 "[ . 1 . 2]" 1
128 1 78 HIS H 1 78 HIS HB3 2.761 . 3.714 3.699 3.608 3.776 0.062 18 0 "[ . 1 . 2]" 1
129 1 81 MET H 1 81 MET QG 2.894 . 6.000 3.548 3.030 4.223 . 0 0 "[ . 1 . 2]" 1
130 1 94 VAL H 1 94 VAL MG1 2.498 . 6.000 3.739 3.728 3.746 . 0 0 "[ . 1 . 2]" 1
131 1 93 LEU HB2 1 94 VAL H 2.764 . 3.719 3.132 3.036 3.222 . 0 0 "[ . 1 . 2]" 1
132 1 93 LEU H 1 93 LEU HB3 2.722 . 3.648 3.414 3.350 3.466 . 0 0 "[ . 1 . 2]" 1
133 1 108 THR H 1 108 THR MG 2.855 . 3.874 3.363 2.414 3.980 0.106 8 0 "[ . 1 . 2]" 1
134 1 72 ILE MG 1 108 THR H 2.894 . 6.000 5.183 4.351 5.881 . 0 0 "[ . 1 . 2]" 1
135 1 93 LEU H 1 96 LEU MD1 2.658 . 6.000 4.232 4.124 4.436 . 0 0 "[ . 1 . 2]" 1
136 1 100 LYS H 1 100 LYS HB3 2.426 . 3.161 2.510 2.050 2.925 . 0 0 "[ . 1 . 2]" 1
137 1 88 GLU H 1 88 GLU HG2 2.379 . 3.087 2.304 2.087 2.576 . 0 0 "[ . 1 . 2]" 1
138 1 88 GLU H 1 88 GLU HB3 2.404 . 6.000 3.570 3.524 3.591 . 0 0 "[ . 1 . 2]" 1
139 1 100 LYS H 1 100 LYS HB2 2.269 . 2.912 2.490 2.090 3.025 0.113 4 0 "[ . 1 . 2]" 1
140 1 100 LYS H 1 100 LYS HG3 2.880 . 3.917 4.211 4.006 4.531 0.614 10 4 "[ . * + - *]" 1
141 1 91 ARG HB3 1 92 TRP H 2.585 . 3.421 3.433 3.262 3.516 0.095 16 0 "[ . 1 . 2]" 1
142 1 53 LYS HG3 1 55 ALA H 2.879 . 3.915 2.530 2.346 3.299 . 0 0 "[ . 1 . 2]" 1
143 1 54 MET HB2 1 55 ALA H 2.808 . 3.794 2.939 2.825 3.007 . 0 0 "[ . 1 . 2]" 1
144 1 89 ARG H 1 89 ARG HB2 2.324 . 2.999 2.619 2.445 2.761 . 0 0 "[ . 1 . 2]" 1
145 1 89 ARG H 1 89 ARG HB3 2.366 . 3.066 2.423 2.195 2.551 . 0 0 "[ . 1 . 2]" 1
146 1 76 GLU H 1 76 GLU HG2 2.579 . 3.410 3.437 2.957 3.503 0.093 16 0 "[ . 1 . 2]" 1
147 1 76 GLU H 1 76 GLU HB3 2.436 . 6.000 3.694 3.608 3.764 . 0 0 "[ . 1 . 2]" 1
148 1 89 ARG HB3 1 90 GLN H 2.710 . 3.628 2.616 2.480 2.822 . 0 0 "[ . 1 . 2]" 1
149 1 15 LYS HB2 1 23 TRP HE3 2.741 . 6.000 5.551 5.186 6.157 0.157 19 0 "[ . 1 . 2]" 1
150 1 35 LEU MD2 1 96 LEU H 2.978 . 6.000 5.526 5.444 5.664 . 0 0 "[ . 1 . 2]" 1
151 1 96 LEU H 1 96 LEU HB3 2.934 . 4.010 3.583 3.566 3.598 . 0 0 "[ . 1 . 2]" 1
152 1 77 GLN H 1 77 GLN QB 2.871 . 3.901 2.880 2.838 2.931 . 0 0 "[ . 1 . 2]" 1
153 1 28 PHE HB3 1 29 VAL H 2.972 . 4.076 2.887 2.787 3.031 . 0 0 "[ . 1 . 2]" 1
154 1 43 ASP H 1 43 ASP HB3 2.287 . 2.941 2.542 2.465 2.645 . 0 0 "[ . 1 . 2]" 1
155 1 41 GLN HB2 1 42 ASP H 2.882 . 3.920 3.792 3.286 3.940 0.020 8 0 "[ . 1 . 2]" 1
156 1 42 ASP H 1 42 ASP HB2 2.333 . 3.014 2.626 2.412 2.776 . 0 0 "[ . 1 . 2]" 1
157 1 42 ASP H 1 42 ASP HB3 2.138 . 2.709 2.438 2.285 2.630 . 0 0 "[ . 1 . 2]" 1
158 1 44 VAL MG2 1 45 CYS H 2.639 . 6.000 3.866 3.758 3.976 . 0 0 "[ . 1 . 2]" 1
159 1 106 THR H 1 106 THR MG 2.360 . 3.056 2.668 2.430 2.954 . 0 0 "[ . 1 . 2]" 1
160 1 105 ASP HB2 1 106 THR H 2.831 . 3.833 3.502 2.495 3.830 . 0 0 "[ . 1 . 2]" 1
161 1 105 ASP HB3 1 106 THR H 2.882 . 3.920 2.726 2.002 3.895 . 0 0 "[ . 1 . 2]" 1
162 1 74 PRO HB2 1 75 GLY H 2.951 . 4.040 4.073 3.856 4.125 0.085 20 0 "[ . 1 . 2]" 1
163 1 74 PRO HB3 1 75 GLY H 2.841 . 3.850 3.769 3.435 3.911 0.061 14 0 "[ . 1 . 2]" 1
164 1 85 ASN H 1 88 GLU HB3 2.444 . 3.190 3.240 3.206 3.281 0.091 13 0 "[ . 1 . 2]" 1
165 1 49 LYS HB2 1 50 GLY H 2.962 . 4.058 3.446 2.989 4.144 0.086 13 0 "[ . 1 . 2]" 1
166 1 71 LEU H 1 71 LEU HB3 2.938 . 4.017 3.555 3.502 3.590 . 0 0 "[ . 1 . 2]" 1
167 1 80 TYR H 1 80 TYR HB2 2.734 . 3.668 2.791 2.591 2.972 . 0 0 "[ . 1 . 2]" 1
168 1 100 LYS HB3 1 101 ALA H 2.540 . 3.346 2.837 2.440 3.156 . 0 0 "[ . 1 . 2]" 1
169 1 65 ASP HA 1 66 ASN H 2.164 . 2.749 2.519 2.098 2.856 0.107 14 0 "[ . 1 . 2]" 1
170 1 66 ASN H 1 66 ASN HA 2.524 . 3.320 2.865 2.799 2.950 . 0 0 "[ . 1 . 2]" 1
171 1 23 TRP HZ3 1 82 LYS H 2.990 . 6.000 6.101 6.025 6.191 0.191 18 0 "[ . 1 . 2]" 1
172 1 38 TYR H 1 38 TYR HA 2.955 . 4.046 2.937 2.918 2.947 . 0 0 "[ . 1 . 2]" 1
173 1 37 TYR HB2 1 38 TYR H 2.951 . 4.039 2.985 2.767 3.166 . 0 0 "[ . 1 . 2]" 1
174 1 37 TYR HB3 1 38 TYR H 2.912 . 3.972 4.007 3.826 4.101 0.129 2 0 "[ . 1 . 2]" 1
175 1 91 ARG H 1 91 ARG HG2 2.806 . 3.790 3.575 3.244 3.805 0.015 20 0 "[ . 1 . 2]" 1
176 1 18 ASN HB3 1 19 TYR H 2.562 . 3.383 2.868 2.126 3.802 0.419 8 0 "[ . 1 . 2]" 1
177 1 11 GLY H 1 92 TRP HZ2 2.781 . 3.748 3.144 2.742 3.471 . 0 0 "[ . 1 . 2]" 1
178 1 47 GLY H 1 48 SER H 2.762 . 3.716 3.567 2.439 4.003 0.287 4 0 "[ . 1 . 2]" 1
179 1 27 TRP HE1 1 44 VAL MG1 3.007 . 4.137 3.861 3.383 4.138 0.001 18 0 "[ . 1 . 2]" 1
180 1 14 TYR H 1 82 LYS H 2.603 . 3.450 2.397 2.111 2.689 . 0 0 "[ . 1 . 2]" 1
181 1 89 ARG H 1 92 TRP HD1 2.793 . 6.000 4.604 4.333 4.767 . 0 0 "[ . 1 . 2]" 1
182 1 48 SER HA 1 50 GLY H 2.983 . 4.095 3.585 3.377 3.965 . 0 0 "[ . 1 . 2]" 1
183 1 49 LYS H 1 50 GLY H 2.319 . 2.991 2.305 1.862 2.930 . 0 0 "[ . 1 . 2]" 1
184 1 54 MET H 1 54 MET HB3 2.543 . 3.352 3.601 3.588 3.618 0.266 12 0 "[ . 1 . 2]" 1
185 1 18 ASN H 1 22 GLY H 2.561 . 3.381 3.347 3.239 3.430 0.049 10 0 "[ . 1 . 2]" 1
186 1 19 TYR H 1 20 LEU H 2.845 . 3.857 2.567 2.407 2.786 . 0 0 "[ . 1 . 2]" 1
187 1 20 LEU H 1 21 THR H 2.169 . 2.757 2.537 2.476 2.642 . 0 0 "[ . 1 . 2]" 1
188 1 29 VAL H 1 36 SER H 2.839 . 3.846 3.020 2.814 3.288 . 0 0 "[ . 1 . 2]" 1
189 1 31 ASP H 1 34 ILE H 2.737 . 3.673 3.120 2.953 3.341 . 0 0 "[ . 1 . 2]" 1
190 1 32 ASN H 1 34 ILE H 2.937 . 4.015 4.049 3.967 4.109 0.094 10 0 "[ . 1 . 2]" 1
191 1 40 SER H 1 41 GLN H 2.971 . 6.000 4.343 4.321 4.376 . 0 0 "[ . 1 . 2]" 1
192 1 42 ASP H 1 43 ASP H 2.216 . 2.830 2.592 2.507 2.701 . 0 0 "[ . 1 . 2]" 1
193 1 43 ASP H 1 44 VAL H 2.199 . 2.804 2.503 2.332 2.603 . 0 0 "[ . 1 . 2]" 1
194 1 44 VAL H 1 45 CYS H 2.494 . 3.272 2.636 2.546 2.696 . 0 0 "[ . 1 . 2]" 1
195 1 46 LYS H 1 47 GLY H 2.077 . 2.616 2.575 2.363 2.663 0.047 12 0 "[ . 1 . 2]" 1
196 1 58 GLU H 1 72 ILE H 2.648 . 3.524 3.152 2.985 3.430 . 0 0 "[ . 1 . 2]" 1
197 1 60 LYS H 1 70 GLU H 2.687 . 3.589 2.653 2.492 3.065 . 0 0 "[ . 1 . 2]" 1
198 1 69 MET H 1 81 MET H 2.741 . 6.000 3.676 3.418 4.027 . 0 0 "[ . 1 . 2]" 1
199 1 73 ILE H 1 77 GLN H 2.992 . 4.111 3.338 2.973 3.587 . 0 0 "[ . 1 . 2]" 1
200 1 76 GLU H 1 77 GLN H 2.341 . 3.026 2.583 2.336 3.033 0.007 16 0 "[ . 1 . 2]" 1
201 1 79 PHE H 1 80 TYR H 3.135 . 4.364 4.199 4.112 4.268 . 0 0 "[ . 1 . 2]" 1
202 1 83 ALA H 1 84 VAL H 2.963 . 6.000 4.521 4.443 4.572 . 0 0 "[ . 1 . 2]" 1
203 1 85 ASN H 1 89 ARG H 2.771 . 3.731 3.735 3.611 3.821 0.090 20 0 "[ . 1 . 2]" 1
204 1 89 ARG H 1 90 GLN H 2.223 . 2.840 2.696 2.641 2.758 . 0 0 "[ . 1 . 2]" 1
205 1 91 ARG H 1 92 TRP H 2.302 . 2.964 2.712 2.675 2.751 . 0 0 "[ . 1 . 2]" 1
206 1 97 GLY H 1 98 SER H 2.245 . 2.875 2.655 2.549 2.723 . 0 0 "[ . 1 . 2]" 1
207 1 99 SER H 1 100 LYS H 2.380 . 3.088 2.623 2.535 2.705 . 0 0 "[ . 1 . 2]" 1
208 1 15 LYS H 1 15 LYS HA 2.985 . 4.099 2.938 2.926 2.948 . 0 0 "[ . 1 . 2]" 1
209 1 17 THR HB 1 18 ASN H 2.584 . 3.419 2.715 2.508 2.942 . 0 0 "[ . 1 . 2]" 1
210 1 18 ASN H 1 21 THR HB 2.946 . 4.031 4.075 4.034 4.133 0.102 8 0 "[ . 1 . 2]" 1
211 1 17 THR MG 1 18 ASN H 2.855 . 3.874 3.757 3.621 3.850 . 0 0 "[ . 1 . 2]" 1
212 1 26 ARG H 1 26 ARG HA 2.883 . 3.922 2.943 2.914 2.951 . 0 0 "[ . 1 . 2]" 1
213 1 12 VAL HA 1 28 PHE H 3.083 . 4.271 2.794 2.592 3.040 . 0 0 "[ . 1 . 2]" 1
214 1 34 ILE H 1 34 ILE HA 2.641 . 3.513 2.946 2.943 2.952 . 0 0 "[ . 1 . 2]" 1
215 1 34 ILE HA 1 35 LEU H 2.530 . 3.330 2.158 2.122 2.194 . 0 0 "[ . 1 . 2]" 1
216 1 44 VAL MG1 1 45 CYS H 2.806 . 3.790 3.461 3.332 3.544 . 0 0 "[ . 1 . 2]" 1
217 1 56 VAL HA 1 57 CYS H 2.514 . 3.304 3.227 3.183 3.309 0.005 6 0 "[ . 1 . 2]" 1
218 1 57 CYS H 1 57 CYS HA 2.874 . 3.907 2.938 2.925 2.946 . 0 0 "[ . 1 . 2]" 1
219 1 68 ARG H 1 68 ARG QD 2.945 . 4.029 3.699 2.731 4.037 0.008 5 0 "[ . 1 . 2]" 1
220 1 73 ILE H 1 73 ILE HA 2.926 . 3.996 2.928 2.924 2.932 . 0 0 "[ . 1 . 2]" 1
221 1 80 TYR H 1 80 TYR HA 2.966 . 4.066 2.934 2.917 2.943 . 0 0 "[ . 1 . 2]" 1
222 1 79 PHE HA 1 80 TYR H 2.175 . 2.766 2.141 2.105 2.159 . 0 0 "[ . 1 . 2]" 1
223 1 82 LYS H 1 83 ALA HA 3.049 . 6.000 4.551 4.406 4.696 . 0 0 "[ . 1 . 2]" 1
224 1 99 SER HA 1 100 LYS H 2.965 . 4.064 3.565 3.509 3.600 . 0 0 "[ . 1 . 2]" 1
225 1 60 LYS H 1 71 LEU QD 2.466 . 3.226 3.269 3.164 3.332 0.106 4 0 "[ . 1 . 2]" 1
226 1 25 PRO HA 1 25 PRO HB3 2.066 . 2.599 2.295 2.282 2.316 . 0 0 "[ . 1 . 2]" 1
227 1 25 PRO HA 1 25 PRO HB2 2.088 . 2.633 2.715 2.686 2.731 0.098 14 0 "[ . 1 . 2]" 1
228 1 16 TRP HA 1 17 THR H 2.038 . 2.557 2.163 2.123 2.232 . 0 0 "[ . 1 . 2]" 1
229 1 27 TRP HA 1 28 PHE H 1.896 . 2.345 2.127 2.107 2.156 . 0 0 "[ . 1 . 2]" 1
230 1 17 THR HA 1 17 THR MG 1.788 . 2.187 2.222 2.178 2.291 0.104 10 0 "[ . 1 . 2]" 1
231 1 92 TRP H 1 92 TRP HA 2.229 . 2.850 2.833 2.813 2.844 . 0 0 "[ . 1 . 2]" 1
232 1 92 TRP HA 1 95 ALA H 2.406 . 6.000 3.404 3.284 3.509 . 0 0 "[ . 1 . 2]" 1
233 1 92 TRP HA 1 95 ALA MB 1.919 . 6.000 3.119 3.017 3.223 . 0 0 "[ . 1 . 2]" 1
234 1 14 TYR H 1 14 TYR HB2 2.441 . 3.186 2.811 2.361 3.144 . 0 0 "[ . 1 . 2]" 1
235 1 92 TRP HB3 1 92 TRP HE3 2.345 . 3.033 2.669 2.616 2.729 . 0 0 "[ . 1 . 2]" 1
236 1 28 PHE H 1 28 PHE HB2 2.313 . 2.982 2.616 2.524 2.710 . 0 0 "[ . 1 . 2]" 1
237 1 71 LEU HB2 1 79 PHE HB2 2.164 . 2.749 2.192 1.896 2.433 . 0 0 "[ . 1 . 2]" 1
238 1 71 LEU HB3 1 79 PHE HB2 2.388 . 3.101 2.720 2.494 2.907 . 0 0 "[ . 1 . 2]" 1
239 1 79 PHE H 1 79 PHE HB2 2.323 . 2.998 2.528 2.424 2.617 . 0 0 "[ . 1 . 2]" 1
240 1 59 ILE H 1 59 ILE MG 2.184 . 2.780 1.816 1.762 2.017 . 0 0 "[ . 1 . 2]" 1
241 1 55 ALA MB 1 103 LEU MD2 1.917 . 6.000 3.817 3.159 4.218 . 0 0 "[ . 1 . 2]" 1
242 1 29 VAL MG2 1 38 TYR QE 1.973 . 2.459 1.969 1.547 2.565 0.106 2 0 "[ . 1 . 2]" 1
243 1 27 TRP HD1 1 29 VAL MG1 2.098 . 2.648 2.561 2.319 2.690 0.042 8 0 "[ . 1 . 2]" 1
244 1 10 GLU HA 1 29 VAL MG1 2.369 . 3.071 2.494 2.174 2.861 . 0 0 "[ . 1 . 2]" 1
245 1 27 TRP HE1 1 29 VAL MG1 1.900 . 2.351 2.179 2.008 2.376 0.025 16 0 "[ . 1 . 2]" 1
246 1 69 MET QG 1 93 LEU MD1 2.218 . 2.833 1.823 1.637 2.009 . 0 0 "[ . 1 . 2]" 1
247 1 69 MET ME 1 93 LEU MD1 1.938 . 2.408 2.483 2.306 2.622 0.214 12 0 "[ . 1 . 2]" 1
248 1 93 LEU HB3 1 93 LEU MD2 1.676 . 6.000 2.385 2.276 2.454 . 0 0 "[ . 1 . 2]" 1
249 1 46 LYS H 1 46 LYS HD3 2.273 . 2.919 2.677 2.454 2.975 0.056 3 0 "[ . 1 . 2]" 1
250 1 46 LYS HD3 1 46 LYS HG2 1.879 . 2.320 2.296 2.222 2.347 0.027 13 0 "[ . 1 . 2]" 1
251 1 13 LEU MD2 1 13 LEU HG 1.917 . 2.376 2.115 2.111 2.119 . 0 0 "[ . 1 . 2]" 1
252 1 35 LEU HB3 1 35 LEU MD1 1.943 . 2.415 2.271 2.222 2.307 . 0 0 "[ . 1 . 2]" 1
253 1 35 LEU MD1 1 52 ILE MD 2.454 . 3.207 2.198 2.026 2.464 . 0 0 "[ . 1 . 2]" 1
254 1 35 LEU MD1 1 52 ILE HB 2.224 . 2.842 2.848 2.611 2.914 0.072 16 0 "[ . 1 . 2]" 1
255 1 69 MET ME 1 96 LEU MD1 2.273 . 2.919 2.701 2.484 2.855 . 0 0 "[ . 1 . 2]" 1
256 1 92 TRP HB3 1 96 LEU MD1 2.394 . 3.111 1.762 1.687 1.843 . 0 0 "[ . 1 . 2]" 1
257 1 92 TRP HE3 1 96 LEU MD1 2.307 . 2.972 2.221 2.037 2.390 . 0 0 "[ . 1 . 2]" 1
258 1 93 LEU H 1 93 LEU MD1 2.221 . 2.837 2.536 2.359 2.706 . 0 0 "[ . 1 . 2]" 1
259 1 93 LEU H 1 93 LEU HG 2.094 . 6.000 4.204 4.133 4.247 . 0 0 "[ . 1 . 2]" 1
260 1 96 LEU H 1 96 LEU HG 2.263 . 2.903 2.318 2.236 2.404 . 0 0 "[ . 1 . 2]" 1
261 1 41 GLN HB3 1 42 ASP H 2.293 . 2.950 2.543 2.309 2.840 . 0 0 "[ . 1 . 2]" 1
262 1 30 LEU HG 1 96 LEU HA 1.937 . 6.000 3.473 3.144 3.760 . 0 0 "[ . 1 . 2]" 1
263 1 34 ILE H 1 34 ILE HG12 2.241 . 2.869 2.706 2.597 2.845 . 0 0 "[ . 1 . 2]" 1
264 1 34 ILE HG13 1 34 ILE MG 1.590 . 6.000 2.319 2.286 2.355 . 0 0 "[ . 1 . 2]" 1
265 1 52 ILE H 1 52 ILE HG13 2.291 . 2.947 2.747 2.667 2.964 0.017 2 0 "[ . 1 . 2]" 1
266 1 91 ARG H 1 91 ARG HG3 2.136 . 2.706 2.370 2.098 2.624 . 0 0 "[ . 1 . 2]" 1
267 1 71 LEU QD 1 71 LEU HG 1.876 . 2.316 1.893 1.888 1.897 . 0 0 "[ . 1 . 2]" 1
268 1 71 LEU HB3 1 71 LEU HG 1.944 . 2.417 2.502 2.445 2.530 0.113 4 0 "[ . 1 . 2]" 1
269 1 68 ARG QG 1 86 ALA HA 1.993 . 6.000 5.893 5.628 6.088 0.088 5 0 "[ . 1 . 2]" 1
270 1 60 LYS QD 1 72 ILE MG 1.948 . 2.422 2.162 1.744 2.645 0.223 6 0 "[ . 1 . 2]" 1
271 1 53 LYS HB3 1 53 LYS HD2 1.966 . 2.449 2.511 2.353 2.905 0.456 20 0 "[ . 1 . 2]" 1
272 1 85 ASN H 1 88 GLU HB2 2.120 . 2.682 1.761 1.696 1.841 . 0 0 "[ . 1 . 2]" 1
273 1 88 GLU HB2 1 89 ARG H 2.397 . 3.115 2.661 2.567 2.820 . 0 0 "[ . 1 . 2]" 1
274 1 88 GLU H 1 88 GLU HB2 1.997 . 2.495 2.400 2.250 2.518 0.023 12 0 "[ . 1 . 2]" 1
275 1 57 CYS QB 1 73 ILE HB 2.093 . 2.641 1.784 1.527 2.518 0.018 20 0 "[ . 1 . 2]" 1
276 1 57 CYS QB 1 73 ILE MG 2.406 . 3.129 3.027 2.802 3.124 . 0 0 "[ . 1 . 2]" 1
277 1 54 MET HA 1 57 CYS QB 2.342 . 3.027 2.356 1.997 2.586 . 0 0 "[ . 1 . 2]" 1
278 1 76 GLU H 1 76 GLU HB2 2.383 . 3.093 2.578 2.365 2.672 . 0 0 "[ . 1 . 2]" 1
279 1 44 VAL HA 1 44 VAL HB 2.293 . 6.000 3.026 3.017 3.032 . 0 0 "[ . 1 . 2]" 1
280 1 44 VAL HB 1 45 CYS H 2.265 . 2.906 2.692 2.511 2.829 . 0 0 "[ . 1 . 2]" 1
281 1 56 VAL HB 1 56 VAL MG2 1.715 . 2.083 2.117 2.110 2.121 0.038 9 0 "[ . 1 . 2]" 1
282 1 56 VAL H 1 56 VAL HB 2.418 . 3.149 2.976 2.949 3.013 . 0 0 "[ . 1 . 2]" 1
283 1 74 PRO HA 1 74 PRO HB3 2.024 . 2.536 2.294 2.279 2.303 . 0 0 "[ . 1 . 2]" 1
284 1 94 VAL HA 1 94 VAL HB 2.234 . 6.000 3.015 3.011 3.017 . 0 0 "[ . 1 . 2]" 1
285 1 94 VAL H 1 94 VAL HB 1.876 . 2.316 2.402 2.375 2.417 0.101 8 0 "[ . 1 . 2]" 1
286 1 94 VAL HB 1 95 ALA H 2.102 . 2.655 2.462 2.433 2.482 . 0 0 "[ . 1 . 2]" 1
287 1 49 LYS H 1 49 LYS HB2 2.214 . 2.826 2.315 2.205 2.489 . 0 0 "[ . 1 . 2]" 1
288 1 53 LYS H 1 53 LYS HB3 2.011 . 2.516 2.248 2.197 2.392 . 0 0 "[ . 1 . 2]" 1
289 1 12 VAL HB 1 12 VAL QG 1.891 . 2.338 1.886 1.874 1.890 . 0 0 "[ . 1 . 2]" 1
290 1 61 VAL HB 1 62 HIS HA 2.118 . 6.000 5.026 4.831 5.662 . 0 0 "[ . 1 . 2]" 1
291 1 61 VAL HB 1 100 LYS QD 2.299 . 2.960 2.422 1.777 2.959 . 0 0 "[ . 1 . 2]" 1
292 1 70 GLU HA 1 70 GLU HB2 2.236 . 2.861 2.379 2.351 2.416 . 0 0 "[ . 1 . 2]" 1
293 1 70 GLU H 1 70 GLU HB3 2.479 . 3.247 2.567 2.428 2.665 . 0 0 "[ . 1 . 2]" 1
294 1 60 LYS HB3 1 70 GLU HB3 2.363 . 6.000 3.434 3.192 4.013 . 0 0 "[ . 1 . 2]" 1
295 1 60 LYS HB2 1 70 GLU HB3 2.102 . 2.654 2.117 1.813 2.680 0.026 12 0 "[ . 1 . 2]" 1
296 1 60 LYS H 1 60 LYS HB2 2.327 . 3.004 2.611 2.522 2.717 . 0 0 "[ . 1 . 2]" 1
297 1 14 TYR HB2 1 82 LYS QB 2.499 . 3.280 2.529 1.596 3.199 0.188 6 0 "[ . 1 . 2]" 1
298 1 54 MET ME 1 96 LEU HA 2.247 . 2.878 2.827 2.652 2.951 0.073 5 0 "[ . 1 . 2]" 1
299 1 9 MET ME 1 92 TRP HA 2.177 . 2.769 2.832 2.788 2.871 0.102 8 0 "[ . 1 . 2]" 1
300 1 34 ILE MD 1 53 LYS HA 2.213 . 2.825 2.197 2.016 2.356 . 0 0 "[ . 1 . 2]" 1
301 1 34 ILE MD 1 35 LEU H 2.532 . 6.000 3.697 3.594 3.796 . 0 0 "[ . 1 . 2]" 1
302 1 34 ILE MD 1 54 MET H 2.431 . 3.169 2.852 2.594 3.046 . 0 0 "[ . 1 . 2]" 1
303 1 34 ILE H 1 34 ILE MD 2.560 . 3.379 3.424 3.363 3.486 0.107 20 0 "[ . 1 . 2]" 1
304 1 52 ILE H 1 52 ILE MD 2.482 . 6.000 3.934 3.858 4.100 . 0 0 "[ . 1 . 2]" 1
305 1 52 ILE HB 1 52 ILE MD 2.131 . 2.699 2.418 2.391 2.434 . 0 0 "[ . 1 . 2]" 1
306 1 52 ILE MD 1 52 ILE HG12 1.766 . 2.156 2.119 2.117 2.122 . 0 0 "[ . 1 . 2]" 1
307 1 72 ILE H 1 72 ILE MG 2.277 . 2.925 2.085 2.051 2.110 . 0 0 "[ . 1 . 2]" 1
308 1 71 LEU H 1 72 ILE MG 2.664 . 6.000 4.607 4.490 4.778 . 0 0 "[ . 1 . 2]" 1
309 1 72 ILE HA 1 72 ILE MG 2.549 . 3.361 3.160 3.128 3.192 . 0 0 "[ . 1 . 2]" 1
310 1 58 GLU QB 1 72 ILE MG 2.372 . 3.075 1.749 1.596 2.105 0.073 1 0 "[ . 1 . 2]" 1
311 1 72 ILE HB 1 72 ILE MG 1.815 . 2.227 2.110 2.104 2.115 . 0 0 "[ . 1 . 2]" 1
312 1 60 LYS HG2 1 72 ILE MG 2.263 . 2.903 2.532 2.208 3.064 0.161 8 0 "[ . 1 . 2]" 1
313 1 60 LYS HG3 1 72 ILE MG 2.399 . 3.118 3.055 2.155 3.235 0.117 6 0 "[ . 1 . 2]" 1
314 1 53 LYS H 1 73 ILE MG 2.785 . 6.000 4.830 4.419 5.087 . 0 0 "[ . 1 . 2]" 1
315 1 73 ILE H 1 73 ILE MG 2.609 . 3.460 2.050 2.002 2.100 . 0 0 "[ . 1 . 2]" 1
316 1 73 ILE MG 1 79 PHE QD 2.574 . 3.402 2.511 2.312 2.755 . 0 0 "[ . 1 . 2]" 1
317 1 73 ILE MG 1 79 PHE HB2 2.705 . 6.000 3.949 3.736 4.232 . 0 0 "[ . 1 . 2]" 1
318 1 73 ILE MG 1 77 GLN QB 2.414 . 3.143 3.049 2.983 3.105 . 0 0 "[ . 1 . 2]" 1
319 1 73 ILE HB 1 73 ILE MG 1.928 . 2.393 2.119 2.109 2.125 . 0 0 "[ . 1 . 2]" 1
320 1 59 ILE MG 1 97 GLY HA2 2.427 . 3.163 2.922 2.486 3.179 0.016 13 0 "[ . 1 . 2]" 1
321 1 59 ILE MG 1 96 LEU HB3 2.104 . 2.657 2.182 1.901 2.506 . 0 0 "[ . 1 . 2]" 1
322 1 59 ILE MG 1 97 GLY H 2.656 . 6.000 3.948 3.639 4.134 . 0 0 "[ . 1 . 2]" 1
323 1 54 MET ME 1 59 ILE MG 1.685 . 2.040 1.953 1.796 2.098 0.058 7 0 "[ . 1 . 2]" 1
324 1 54 MET ME 1 96 LEU MD2 1.897 . 2.347 2.310 2.162 2.395 0.048 18 0 "[ . 1 . 2]" 1
325 1 54 MET H 1 54 MET ME 2.638 . 6.000 4.506 4.346 4.579 . 0 0 "[ . 1 . 2]" 1
326 1 9 MET ME 1 92 TRP H 2.637 . 3.506 3.002 2.734 3.181 . 0 0 "[ . 1 . 2]" 1
327 1 9 MET ME 1 10 GLU H 2.416 . 3.145 3.172 3.089 3.219 0.074 9 0 "[ . 1 . 2]" 1
328 1 9 MET ME 1 95 ALA H 2.666 . 6.000 5.054 4.807 5.182 . 0 0 "[ . 1 . 2]" 1
329 1 9 MET ME 1 92 TRP HD1 2.563 . 3.384 3.283 3.091 3.397 0.013 7 0 "[ . 1 . 2]" 1
330 1 9 MET ME 1 92 TRP HZ2 2.491 . 3.266 3.290 3.256 3.336 0.070 13 0 "[ . 1 . 2]" 1
331 1 9 MET ME 1 91 ARG HB2 2.271 . 2.915 2.490 2.164 2.739 . 0 0 "[ . 1 . 2]" 1
332 1 9 MET ME 1 91 ARG HB3 2.097 . 2.647 2.150 1.880 2.326 . 0 0 "[ . 1 . 2]" 1
333 1 34 ILE HB 1 34 ILE MG 1.773 . 2.166 2.128 2.124 2.133 . 0 0 "[ . 1 . 2]" 1
334 1 34 ILE MG 1 51 SER HB2 2.243 . 2.872 2.646 1.872 2.962 0.090 13 0 "[ . 1 . 2]" 1
335 1 34 ILE MG 1 51 SER HB3 2.110 . 2.667 2.405 1.976 2.979 0.312 7 0 "[ . 1 . 2]" 1
336 1 34 ILE H 1 34 ILE MG 2.386 . 6.000 3.862 3.845 3.879 . 0 0 "[ . 1 . 2]" 1
337 1 34 ILE MG 1 35 LEU H 1.999 . 2.498 2.547 2.510 2.594 0.096 19 0 "[ . 1 . 2]" 1
338 1 59 ILE HB 1 59 ILE MD 1.743 . 6.000 2.363 2.327 2.400 . 0 0 "[ . 1 . 2]" 1
339 1 59 ILE MD 1 59 ILE HG13 2.034 . 2.551 2.120 2.117 2.124 . 0 0 "[ . 1 . 2]" 1
340 1 59 ILE MD 1 69 MET QG 2.570 . 3.396 2.692 1.968 2.914 . 0 0 "[ . 1 . 2]" 1
341 1 59 ILE HA 1 59 ILE MD 2.614 . 3.468 2.364 2.319 2.448 . 0 0 "[ . 1 . 2]" 1
342 1 59 ILE MD 1 60 LYS H 2.159 . 2.742 2.393 2.261 2.514 . 0 0 "[ . 1 . 2]" 1
343 1 59 ILE MD 1 70 GLU H 2.557 . 3.374 2.888 2.567 3.294 . 0 0 "[ . 1 . 2]" 1
344 1 59 ILE H 1 59 ILE MD 2.301 . 6.000 4.414 4.383 4.453 . 0 0 "[ . 1 . 2]" 1
345 1 87 ALA MB 1 88 GLU HB3 2.540 . 6.000 5.225 5.136 5.281 . 0 0 "[ . 1 . 2]" 1
346 1 87 ALA MB 1 88 GLU HB2 2.522 . 6.000 4.444 4.241 4.623 . 0 0 "[ . 1 . 2]" 1
347 1 87 ALA HA 1 87 ALA MB 1.685 . 2.040 2.115 2.108 2.119 0.079 14 0 "[ . 1 . 2]" 1
348 1 85 ASN QD 1 87 ALA MB 2.626 . 3.488 2.876 1.847 3.481 . 0 0 "[ . 1 . 2]" 1
349 1 87 ALA MB 1 89 ARG H 2.620 . 6.000 4.391 4.330 4.473 . 0 0 "[ . 1 . 2]" 1
350 1 87 ALA MB 1 90 GLN H 2.745 . 6.000 4.384 4.338 4.453 . 0 0 "[ . 1 . 2]" 1
351 1 87 ALA MB 1 88 GLU H 1.955 . 2.433 2.416 2.317 2.492 0.059 12 0 "[ . 1 . 2]" 1
352 1 87 ALA H 1 87 ALA MB 1.678 . 2.030 2.182 2.156 2.204 0.174 14 0 "[ . 1 . 2]" 1
353 1 72 ILE MD 1 77 GLN QB 2.381 . 2.996 1.927 1.707 2.085 . 0 0 "[ . 1 . 2]" 1
354 1 72 ILE HB 1 72 ILE MD 1.832 . 6.000 2.387 2.354 2.412 . 0 0 "[ . 1 . 2]" 1
355 1 72 ILE HA 1 72 ILE MD 2.046 . 6.000 2.373 2.243 2.487 . 0 0 "[ . 1 . 2]" 1
356 1 72 ILE H 1 72 ILE MD 2.477 . 6.000 4.427 4.369 4.470 . 0 0 "[ . 1 . 2]" 1
357 1 72 ILE MD 1 78 HIS H 2.703 . 3.616 3.514 3.063 3.938 0.322 16 0 "[ . 1 . 2]" 1
358 1 72 ILE MD 1 73 ILE H 2.109 . 2.665 2.349 2.252 2.465 . 0 0 "[ . 1 . 2]" 1
359 1 73 ILE MD 1 74 PRO HD2 2.251 . 2.884 1.707 1.636 1.809 . 0 0 "[ . 1 . 2]" 1
360 1 73 ILE MD 1 76 GLU HG3 2.095 . 6.000 4.332 3.338 5.359 . 0 0 "[ . 1 . 2]" 1
361 1 73 ILE MD 1 76 GLU HG2 2.256 . 6.000 5.729 4.810 6.034 0.034 17 0 "[ . 1 . 2]" 1
362 1 73 ILE HB 1 73 ILE MD 1.738 . 6.000 2.484 2.430 2.539 . 0 0 "[ . 1 . 2]" 1
363 1 73 ILE H 1 73 ILE MD 2.494 . 6.000 4.311 4.259 4.344 . 0 0 "[ . 1 . 2]" 1
364 1 73 ILE MD 1 76 GLU H 2.793 . 3.768 3.855 3.618 3.906 0.138 4 0 "[ . 1 . 2]" 1
365 1 73 ILE MD 1 77 GLN H 2.605 . 6.000 4.495 4.295 4.686 . 0 0 "[ . 1 . 2]" 1
366 1 81 MET ME 1 92 TRP HE3 2.430 . 6.000 3.790 3.656 4.034 . 0 0 "[ . 1 . 2]" 1
367 1 28 PHE QD 1 81 MET ME 2.584 . 3.419 2.930 2.684 3.216 . 0 0 "[ . 1 . 2]" 1
368 1 28 PHE QE 1 81 MET ME 2.449 . 6.000 3.507 3.257 3.794 . 0 0 "[ . 1 . 2]" 1
369 1 35 LEU MD1 1 81 MET ME 1.761 . 2.148 2.190 2.109 2.268 0.120 14 0 "[ . 1 . 2]" 1
370 1 13 LEU HG 1 81 MET ME 1.850 . 2.278 1.988 1.651 2.347 0.069 3 0 "[ . 1 . 2]" 1
371 1 81 MET ME 1 81 MET QG 2.054 . 2.582 2.283 2.221 2.419 . 0 0 "[ . 1 . 2]" 1
372 1 13 LEU MD2 1 81 MET ME 1.789 . 2.189 2.085 1.920 2.234 0.045 16 0 "[ . 1 . 2]" 1
373 1 72 ILE MD 1 74 PRO HD3 2.753 . 3.700 3.743 3.657 3.798 0.098 20 0 "[ . 1 . 2]" 1
374 1 73 ILE MD 1 74 PRO HD3 2.414 . 3.142 2.906 2.826 2.985 . 0 0 "[ . 1 . 2]" 1
375 1 52 ILE HA 1 52 ILE MG 2.105 . 2.659 2.406 2.361 2.436 . 0 0 "[ . 1 . 2]" 1
376 1 35 LEU HB3 1 52 ILE MG 2.380 . 3.088 3.111 3.043 3.141 0.053 2 0 "[ . 1 . 2]" 1
377 1 52 ILE MD 1 52 ILE MG 1.984 . 2.476 1.936 1.879 1.964 . 0 0 "[ . 1 . 2]" 1
378 1 52 ILE HB 1 52 ILE MG 1.891 . 2.338 2.127 2.121 2.132 . 0 0 "[ . 1 . 2]" 1
379 1 52 ILE MG 1 53 LYS H 2.153 . 2.733 2.796 2.772 2.813 0.080 15 0 "[ . 1 . 2]" 1
380 1 86 ALA HA 1 86 ALA MB 1.764 . 2.153 2.129 2.121 2.138 . 0 0 "[ . 1 . 2]" 1
381 1 86 ALA H 1 86 ALA MB 1.825 . 2.241 2.227 2.211 2.242 0.001 6 0 "[ . 1 . 2]" 1
382 1 86 ALA MB 1 87 ALA H 1.990 . 2.485 2.521 2.470 2.603 0.118 1 0 "[ . 1 . 2]" 1
383 1 53 LYS HB3 1 56 VAL MG1 2.091 . 2.638 1.961 1.702 2.127 . 0 0 "[ . 1 . 2]" 1
384 1 53 LYS HB2 1 56 VAL MG1 2.089 . 6.000 3.346 3.175 3.422 . 0 0 "[ . 1 . 2]" 1
385 1 56 VAL MG2 1 74 PRO HD2 2.637 . 3.506 2.523 2.359 2.795 . 0 0 "[ . 1 . 2]" 1
386 1 56 VAL MG1 1 57 CYS H 2.350 . 3.040 3.047 2.835 3.125 0.085 14 0 "[ . 1 . 2]" 1
387 1 56 VAL H 1 56 VAL MG1 1.836 . 2.257 2.269 2.226 2.292 0.035 11 0 "[ . 1 . 2]" 1
388 1 53 LYS H 1 56 VAL MG1 2.538 . 3.343 3.256 3.133 3.350 0.007 6 0 "[ . 1 . 2]" 1
389 1 101 ALA H 1 101 ALA MB 1.772 . 2.164 2.212 2.192 2.226 0.062 18 0 "[ . 1 . 2]" 1
390 1 101 ALA MB 1 102 SER H 2.047 . 6.000 3.437 3.087 3.582 . 0 0 "[ . 1 . 2]" 1
391 1 101 ALA HA 1 101 ALA MB 1.850 . 2.278 2.124 2.119 2.127 . 0 0 "[ . 1 . 2]" 1
392 1 52 ILE MG 1 53 LYS HB3 2.399 . 6.000 4.300 4.210 4.436 . 0 0 "[ . 1 . 2]" 1
393 1 95 ALA HA 1 95 ALA MB 1.738 . 2.116 2.127 2.124 2.132 0.016 8 0 "[ . 1 . 2]" 1
394 1 95 ALA MB 1 96 LEU HG 2.513 . 3.303 2.873 2.785 2.939 . 0 0 "[ . 1 . 2]" 1
395 1 94 VAL HB 1 95 ALA MB 2.615 . 6.000 3.835 3.804 3.888 . 0 0 "[ . 1 . 2]" 1
396 1 30 LEU HB2 1 95 ALA MB 2.397 . 3.115 3.171 3.092 3.242 0.127 16 0 "[ . 1 . 2]" 1
397 1 30 LEU HG 1 95 ALA MB 1.907 . 2.361 2.187 2.004 2.376 0.015 16 0 "[ . 1 . 2]" 1
398 1 95 ALA H 1 95 ALA MB 1.862 . 2.295 2.254 2.240 2.270 . 0 0 "[ . 1 . 2]" 1
399 1 95 ALA MB 1 96 LEU H 2.123 . 2.686 2.375 2.340 2.425 . 0 0 "[ . 1 . 2]" 1
400 1 55 ALA HA 1 55 ALA MB 1.722 . 2.093 2.121 2.117 2.126 0.033 18 0 "[ . 1 . 2]" 1
401 1 55 ALA MB 1 56 VAL H 2.130 . 6.000 3.110 3.054 3.167 . 0 0 "[ . 1 . 2]" 1
402 1 64 ALA H 1 64 ALA MB 1.945 . 6.000 2.520 2.224 2.931 . 0 0 "[ . 1 . 2]" 1
403 1 94 VAL MG1 1 95 ALA HA 2.377 . 3.083 3.121 3.096 3.149 0.066 6 0 "[ . 1 . 2]" 1
404 1 83 ALA MB 1 89 ARG HA 2.165 . 2.751 2.258 2.121 2.388 . 0 0 "[ . 1 . 2]" 1
405 1 83 ALA MB 1 85 ASN H 2.024 . 6.000 3.135 3.028 3.257 . 0 0 "[ . 1 . 2]" 1
406 1 83 ALA MB 1 89 ARG H 2.153 . 2.733 2.646 2.572 2.733 . 0 0 "[ . 1 . 2]" 1
407 1 83 ALA H 1 83 ALA MB 1.984 . 2.476 2.221 2.176 2.256 . 0 0 "[ . 1 . 2]" 1
408 1 83 ALA MB 1 84 VAL H 2.002 . 2.503 2.094 1.961 2.264 . 0 0 "[ . 1 . 2]" 1
409 1 13 LEU MD1 1 83 ALA MB 1.999 . 2.499 2.545 2.487 2.643 0.144 3 0 "[ . 1 . 2]" 1
410 1 17 THR MG 1 24 GLN HB2 2.194 . 2.795 2.538 2.093 2.837 0.042 20 0 "[ . 1 . 2]" 1
411 1 29 VAL MG2 1 31 ASP HB2 2.100 . 6.000 3.867 3.208 4.833 . 0 0 "[ . 1 . 2]" 1
412 1 21 THR HB 1 21 THR MG 1.715 . 2.083 2.131 2.127 2.135 0.052 9 0 "[ . 1 . 2]" 1
413 1 21 THR H 1 21 THR MG 2.121 . 2.683 2.720 2.683 2.753 0.070 11 0 "[ . 1 . 2]" 1
414 1 21 THR MG 1 24 GLN HE21 2.554 . 3.369 3.233 2.937 3.413 0.044 19 0 "[ . 1 . 2]" 1
415 1 10 GLU HB3 1 29 VAL MG1 2.365 . 3.064 2.513 1.695 2.961 . 0 0 "[ . 1 . 2]" 1
416 1 10 GLU HB2 1 29 VAL MG1 2.252 . 2.886 2.704 2.283 3.120 0.234 17 0 "[ . 1 . 2]" 1
417 1 27 TRP HZ2 1 29 VAL MG1 2.279 . 6.000 3.878 3.635 4.276 . 0 0 "[ . 1 . 2]" 1
418 1 27 TRP HE1 1 44 VAL MG2 2.250 . 2.883 2.428 2.311 2.646 . 0 0 "[ . 1 . 2]" 1
419 1 44 VAL H 1 44 VAL MG2 1.858 . 2.290 2.127 2.052 2.258 . 0 0 "[ . 1 . 2]" 1
420 1 27 TRP HD1 1 44 VAL MG2 2.270 . 2.914 2.361 2.176 2.619 . 0 0 "[ . 1 . 2]" 1
421 1 41 GLN HA 1 44 VAL MG2 2.152 . 2.731 2.328 1.855 2.684 . 0 0 "[ . 1 . 2]" 1
422 1 38 TYR HB2 1 44 VAL MG2 2.816 . 3.807 2.676 2.310 3.037 . 0 0 "[ . 1 . 2]" 1
423 1 11 GLY HA2 1 12 VAL QG 2.679 . 3.576 3.184 2.965 3.250 . 0 0 "[ . 1 . 2]" 1
424 1 12 VAL QG 1 27 TRP HE3 1.991 . 2.486 1.823 1.711 1.936 . 0 0 "[ . 1 . 2]" 1
425 1 12 VAL QG 1 27 TRP HZ3 2.028 . 6.000 2.746 2.560 2.858 . 0 0 "[ . 1 . 2]" 1
426 1 94 VAL H 1 94 VAL MG2 1.794 . 2.196 2.235 2.214 2.271 0.075 10 0 "[ . 1 . 2]" 1
427 1 90 GLN HE21 1 94 VAL MG2 2.529 . 3.329 2.576 2.195 2.998 . 0 0 "[ . 1 . 2]" 1
428 1 103 LEU MD1 1 104 THR H 2.408 . 3.133 2.206 1.828 2.779 . 0 0 "[ . 1 . 2]" 1
429 1 13 LEU HB2 1 13 LEU MD2 2.181 . 2.775 2.286 2.255 2.306 . 0 0 "[ . 1 . 2]" 1
430 1 13 LEU HB3 1 13 LEU MD1 2.305 . 2.969 2.462 2.435 2.510 . 0 0 "[ . 1 . 2]" 1
431 1 13 LEU MD1 1 92 TRP HD1 2.387 . 3.099 3.144 3.123 3.175 0.076 13 0 "[ . 1 . 2]" 1
432 1 13 LEU MD1 1 14 TYR H 2.442 . 3.187 3.160 3.007 3.232 0.045 6 0 "[ . 1 . 2]" 1
433 1 13 LEU HA 1 13 LEU MD1 2.064 . 2.596 2.029 1.933 2.084 . 0 0 "[ . 1 . 2]" 1
434 1 13 LEU MD1 1 84 VAL H 2.489 . 6.000 4.109 3.904 4.325 . 0 0 "[ . 1 . 2]" 1
435 1 93 LEU HA 1 93 LEU MD1 1.785 . 2.183 2.063 1.962 2.200 0.017 1 0 "[ . 1 . 2]" 1
436 1 54 MET HG3 1 96 LEU MD2 2.587 . 3.424 3.341 2.546 3.926 0.502 6 1 "[ .+ 1 . 2]" 1
437 1 96 LEU HA 1 96 LEU MD2 1.892 . 2.340 2.186 2.140 2.233 . 0 0 "[ . 1 . 2]" 1
438 1 54 MET ME 1 71 LEU QD 2.059 . 2.589 2.436 2.172 2.585 . 0 0 "[ . 1 . 2]" 1
439 1 71 LEU QD 1 81 MET QG 2.457 . 3.212 2.835 2.252 3.134 . 0 0 "[ . 1 . 2]" 1
440 1 70 GLU HA 1 71 LEU QD 2.835 . 3.840 3.356 3.210 3.572 . 0 0 "[ . 1 . 2]" 1
441 1 71 LEU H 1 71 LEU QD 2.615 . 3.470 2.743 2.637 2.956 . 0 0 "[ . 1 . 2]" 1
442 1 70 GLU H 1 71 LEU QD 2.413 . 6.000 3.649 3.519 3.859 . 0 0 "[ . 1 . 2]" 1
443 1 30 LEU HB2 1 35 LEU MD2 2.333 . 3.014 2.262 2.064 2.480 . 0 0 "[ . 1 . 2]" 1
444 1 35 LEU HA 1 35 LEU MD2 2.135 . 2.705 1.911 1.837 1.979 . 0 0 "[ . 1 . 2]" 1
445 1 30 LEU HA 1 35 LEU MD2 2.401 . 3.122 2.404 2.351 2.461 . 0 0 "[ . 1 . 2]" 1
446 1 28 PHE QD 1 35 LEU MD1 2.306 . 2.971 1.993 1.801 2.224 . 0 0 "[ . 1 . 2]" 1
447 1 35 LEU MD2 1 92 TRP HZ3 2.126 . 2.691 2.129 1.972 2.272 . 0 0 "[ . 1 . 2]" 1
448 1 35 LEU MD2 1 92 TRP HE3 2.517 . 3.309 3.331 3.251 3.394 0.085 16 0 "[ . 1 . 2]" 1
449 1 35 LEU MD2 1 36 SER H 2.432 . 3.172 2.675 2.517 2.775 . 0 0 "[ . 1 . 2]" 1
450 1 29 VAL H 1 35 LEU MD2 2.590 . 3.429 3.200 3.098 3.302 . 0 0 "[ . 1 . 2]" 1
451 1 100 LYS HE2 1 100 LYS HG2 2.459 . 3.215 3.305 2.167 3.786 0.571 4 5 "[ * +. *1 - . * 2]" 1
452 1 100 LYS HA 1 100 LYS HG2 2.371 . 3.074 3.004 2.180 3.952 0.878 14 5 "[ * *. 1* +. - 2]" 1
453 1 53 LYS HG2 1 56 VAL H 2.815 . 3.805 1.896 1.793 2.367 0.032 13 0 "[ . 1 . 2]" 1
454 1 55 ALA HA 1 103 LEU MD2 2.232 . 2.854 2.388 1.644 2.898 0.044 20 0 "[ . 1 . 2]" 1
455 1 100 LYS HA 1 103 LEU MD2 2.336 . 3.018 2.921 2.425 3.167 0.149 10 0 "[ . 1 . 2]" 1
456 1 103 LEU HB3 1 103 LEU MD2 2.009 . 2.513 2.363 2.213 2.435 . 0 0 "[ . 1 . 2]" 1
457 1 93 LEU MD1 1 96 LEU HB2 1.932 . 6.000 3.634 3.435 3.896 . 0 0 "[ . 1 . 2]" 1
458 1 92 TRP HD1 1 93 LEU MD1 2.524 . 6.000 5.108 4.831 5.322 . 0 0 "[ . 1 . 2]" 1
459 1 13 LEU MD1 1 13 LEU HG 2.199 . 2.803 2.120 2.114 2.125 . 0 0 "[ . 1 . 2]" 1
460 1 96 LEU MD1 1 96 LEU HG 2.280 . 2.930 2.125 2.120 2.130 . 0 0 "[ . 1 . 2]" 1
461 1 96 LEU MD2 1 96 LEU HG 2.310 . 2.977 2.130 2.124 2.134 . 0 0 "[ . 1 . 2]" 1
462 1 92 TRP HE3 1 96 LEU HG 2.574 . 3.402 2.725 2.591 2.953 . 0 0 "[ . 1 . 2]" 1
463 1 30 LEU HG 1 35 LEU HG 1.899 . 6.000 5.443 5.195 5.769 . 0 0 "[ . 1 . 2]" 1
464 1 30 LEU HG 1 96 LEU HG 2.542 . 3.350 3.292 3.044 3.400 0.050 13 0 "[ . 1 . 2]" 1
465 1 30 LEU HG 1 54 MET HG3 2.661 . 6.000 4.587 4.304 4.931 . 0 0 "[ . 1 . 2]" 1
466 1 30 LEU HG 1 95 ALA HA 2.531 . 6.000 4.258 4.112 4.455 . 0 0 "[ . 1 . 2]" 1
467 1 74 PRO HD2 1 74 PRO HG2 2.181 . 2.776 2.318 2.311 2.325 . 0 0 "[ . 1 . 2]" 1
468 1 92 TRP H 1 92 TRP HB2 2.341 . 3.026 2.375 2.344 2.397 . 0 0 "[ . 1 . 2]" 1
469 1 58 GLU QB 1 60 LYS QD 2.538 . 3.343 2.492 1.943 3.249 . 0 0 "[ . 1 . 2]" 1
470 1 60 LYS QD 1 61 VAL H 2.639 . 6.000 4.111 3.745 5.535 . 0 0 "[ . 1 . 2]" 1
471 1 46 LYS H 1 46 LYS HG2 2.638 . 3.508 1.999 1.886 2.146 . 0 0 "[ . 1 . 2]" 1
472 1 91 ARG H 1 91 ARG HB2 2.202 . 2.808 2.409 2.282 2.554 . 0 0 "[ . 1 . 2]" 1
473 1 91 ARG HB2 1 92 TRP H 2.534 . 3.337 2.509 2.374 2.628 . 0 0 "[ . 1 . 2]" 1
474 1 76 GLU HB2 1 77 GLN H 2.240 . 2.867 1.976 1.644 2.223 . 0 0 "[ . 1 . 2]" 1
475 1 74 PRO HB2 1 74 PRO HD2 2.262 . 2.901 2.916 2.893 2.935 0.034 14 0 "[ . 1 . 2]" 1
476 1 84 VAL H 1 84 VAL HB 2.064 . 2.597 2.578 2.551 2.614 0.017 12 0 "[ . 1 . 2]" 1
477 1 84 VAL HB 1 85 ASN H 2.413 . 3.141 2.190 2.036 2.295 . 0 0 "[ . 1 . 2]" 1
478 1 49 LYS HB2 1 49 LYS HD2 2.107 . 2.662 2.681 2.510 2.863 0.201 14 0 "[ . 1 . 2]" 1
479 1 49 LYS HB2 1 49 LYS HD3 2.252 . 2.886 2.711 2.600 2.818 . 0 0 "[ . 1 . 2]" 1
480 1 12 VAL HB 1 25 PRO HB2 2.456 . 3.210 3.167 2.922 3.541 0.331 16 0 "[ . 1 . 2]" 1
481 1 61 VAL HB 1 100 LYS HG3 2.408 . 6.000 4.868 4.019 5.748 . 0 0 "[ . 1 . 2]" 1
482 1 61 VAL HB 1 62 HIS H 2.632 . 6.000 4.351 4.000 4.469 . 0 0 "[ . 1 . 2]" 1
483 1 61 VAL HB 1 100 LYS H 2.414 . 6.000 6.115 5.983 6.207 0.207 3 0 "[ . 1 . 2]" 1
484 1 61 VAL H 1 61 VAL HB 2.150 . 2.728 2.675 2.502 2.749 0.021 11 0 "[ . 1 . 2]" 1
485 1 77 GLN HE21 1 77 GLN HG3 2.197 . 2.800 2.613 2.202 3.507 0.707 19 4 "[ . - 1** . +2]" 1
486 1 76 GLU H 1 76 GLU HG3 2.528 . 3.327 2.584 2.294 3.542 0.215 14 0 "[ . 1 . 2]" 1
487 1 29 VAL HB 1 38 TYR QE 2.406 . 6.000 4.631 4.078 5.370 . 0 0 "[ . 1 . 2]" 1
488 1 29 VAL H 1 29 VAL HB 2.533 . 6.000 3.882 3.850 3.915 . 0 0 "[ . 1 . 2]" 1
489 1 19 TYR HB3 1 19 TYR QD 2.683 . 3.583 2.441 2.290 2.561 . 0 0 "[ . 1 . 2]" 1
490 1 81 MET H 1 81 MET HB2 2.624 . 3.485 2.563 2.458 2.690 . 0 0 "[ . 1 . 2]" 1
491 1 81 MET HB3 1 82 LYS H 2.687 . 3.590 3.324 3.112 3.690 0.100 17 0 "[ . 1 . 2]" 1
492 1 34 ILE HB 1 34 ILE HG13 2.224 . 2.842 2.498 2.484 2.513 . 0 0 "[ . 1 . 2]" 1
493 1 34 ILE HB 1 34 ILE HG12 2.291 . 2.947 2.418 2.406 2.432 . 0 0 "[ . 1 . 2]" 1
494 1 34 ILE H 1 34 ILE HB 2.187 . 2.785 2.660 2.629 2.697 . 0 0 "[ . 1 . 2]" 1
495 1 59 ILE HB 1 59 ILE MG 1.823 . 2.239 2.125 2.121 2.133 . 0 0 "[ . 1 . 2]" 1
496 1 72 ILE HB 1 72 ILE HG12 2.498 . 3.278 2.510 2.474 2.549 . 0 0 "[ . 1 . 2]" 1
497 1 59 ILE HB 1 59 ILE HG13 2.235 . 6.000 3.026 3.021 3.030 . 0 0 "[ . 1 . 2]" 1
498 1 54 MET ME 1 59 ILE HB 2.212 . 2.824 2.160 1.793 2.563 . 0 0 "[ . 1 . 2]" 1
499 1 59 ILE H 1 59 ILE HB 2.161 . 6.000 3.088 3.028 3.316 . 0 0 "[ . 1 . 2]" 1
500 1 72 ILE H 1 72 ILE HB 2.365 . 6.000 3.401 3.320 3.459 . 0 0 "[ . 1 . 2]" 1
501 1 72 ILE HB 1 78 HIS H 2.661 . 6.000 4.586 3.652 5.251 . 0 0 "[ . 1 . 2]" 1
502 1 73 ILE HB 1 73 ILE HG13 2.484 . 3.255 3.019 3.012 3.024 . 0 0 "[ . 1 . 2]" 1
503 1 73 ILE HB 1 73 ILE HG12 2.374 . 3.079 2.437 2.388 2.469 . 0 0 "[ . 1 . 2]" 1
504 1 73 ILE HB 1 76 GLU HB2 2.530 . 6.000 5.244 4.212 5.725 . 0 0 "[ . 1 . 2]" 1
505 1 73 ILE HB 1 74 PRO HD2 2.565 . 6.000 4.081 4.012 4.180 . 0 0 "[ . 1 . 2]" 1
506 1 73 ILE H 1 73 ILE HB 2.403 . 6.000 3.454 3.384 3.497 . 0 0 "[ . 1 . 2]" 1
507 1 73 ILE HB 1 77 GLN H 2.592 . 6.000 4.628 4.182 4.791 . 0 0 "[ . 1 . 2]" 1
508 1 42 ASP HB3 1 43 ASP H 2.671 . 3.563 2.930 2.674 3.166 . 0 0 "[ . 1 . 2]" 1
509 1 93 LEU H 1 93 LEU HB2 2.285 . 2.938 2.107 2.054 2.156 . 0 0 "[ . 1 . 2]" 1
510 1 20 LEU HB2 1 21 THR MG 2.512 . 3.301 3.218 3.043 3.325 0.024 19 0 "[ . 1 . 2]" 1
511 1 20 LEU HB2 1 21 THR H 2.396 . 3.114 2.634 2.555 2.703 . 0 0 "[ . 1 . 2]" 1
512 1 96 LEU HB3 1 96 LEU MD2 2.505 . 3.289 2.265 2.249 2.290 . 0 0 "[ . 1 . 2]" 1
513 1 96 LEU H 1 96 LEU HB2 2.396 . 3.114 2.451 2.395 2.507 . 0 0 "[ . 1 . 2]" 1
514 1 52 ILE HB 1 52 ILE HG13 2.230 . 2.852 2.484 2.472 2.501 . 0 0 "[ . 1 . 2]" 1
515 1 35 LEU HB3 1 52 ILE HB 2.178 . 2.771 2.153 1.854 2.415 . 0 0 "[ . 1 . 2]" 1
516 1 52 ILE HA 1 52 ILE HB 2.449 . 3.199 3.027 3.022 3.034 . 0 0 "[ . 1 . 2]" 1
517 1 52 ILE H 1 52 ILE HB 2.211 . 2.822 2.565 2.519 2.641 . 0 0 "[ . 1 . 2]" 1
518 1 28 PHE HB3 1 35 LEU MD2 2.562 . 3.382 2.664 2.517 2.838 . 0 0 "[ . 1 . 2]" 1
519 1 35 LEU HB2 1 35 LEU MD2 2.539 . 3.345 2.483 2.448 2.525 . 0 0 "[ . 1 . 2]" 1
520 1 11 GLY HA2 1 27 TRP HH2 2.640 . 3.511 3.506 3.358 3.542 0.031 20 0 "[ . 1 . 2]" 1
521 1 30 LEU HB2 1 92 TRP HZ3 2.657 . 3.539 2.753 2.485 3.048 . 0 0 "[ . 1 . 2]" 1
522 1 13 LEU HB3 1 14 TYR H 2.769 . 3.727 2.693 2.551 2.921 . 0 0 "[ . 1 . 2]" 1
523 1 74 PRO HD3 1 74 PRO HG3 2.242 . 2.870 2.321 2.312 2.328 . 0 0 "[ . 1 . 2]" 1
524 1 56 VAL MG1 1 74 PRO HD2 2.659 . 3.543 3.527 3.264 3.603 0.060 6 0 "[ . 1 . 2]" 1
525 1 67 THR MG 1 85 ASN HA 2.185 . 2.782 2.327 1.858 2.809 0.027 3 0 "[ . 1 . 2]" 1
526 1 85 ASN HA 1 85 ASN HB2 1.986 . 2.479 2.503 2.379 3.002 0.523 3 1 "[ + . 1 . 2]" 1
527 1 18 ASN HA 1 19 TYR H 2.310 . 2.977 2.425 2.320 2.640 . 0 0 "[ . 1 . 2]" 1
528 1 85 ASN H 1 85 ASN HA 2.403 . 3.125 2.920 2.905 2.944 . 0 0 "[ . 1 . 2]" 1
529 1 85 ASN HA 1 86 ALA H 2.049 . 2.574 2.536 2.410 2.634 0.060 7 0 "[ . 1 . 2]" 1
530 1 16 TRP HE1 1 18 ASN HA 2.606 . 3.455 3.433 3.130 3.520 0.065 4 0 "[ . 1 . 2]" 1
531 1 85 ASN HA 1 85 ASN HB3 2.200 . 2.805 2.432 2.362 2.538 . 0 0 "[ . 1 . 2]" 1
532 1 24 GLN H 1 24 GLN HA 2.551 . 3.364 2.942 2.937 2.956 . 0 0 "[ . 1 . 2]" 1
533 1 24 GLN HA 1 24 GLN HB3 2.186 . 2.783 2.524 2.436 2.601 . 0 0 "[ . 1 . 2]" 1
534 1 24 GLN HA 1 24 GLN HB2 2.447 . 3.196 3.020 3.003 3.034 . 0 0 "[ . 1 . 2]" 1
535 1 24 GLN HA 1 24 GLN HG3 2.493 . 3.270 3.480 2.565 3.861 0.591 9 3 "[ * -. +1 . 2]" 1
536 1 30 LEU HA 1 35 LEU HA 2.446 . 3.194 2.341 2.231 2.482 . 0 0 "[ . 1 . 2]" 1
537 1 30 LEU HA 1 30 LEU HB2 2.722 . 3.648 2.568 2.545 2.627 . 0 0 "[ . 1 . 2]" 1
538 1 30 LEU HA 1 30 LEU HB3 2.641 . 3.513 3.026 3.013 3.034 . 0 0 "[ . 1 . 2]" 1
539 1 30 LEU HA 1 31 ASP H 2.133 . 2.701 2.131 2.115 2.143 . 0 0 "[ . 1 . 2]" 1
540 1 35 LEU HA 1 36 SER H 2.186 . 2.783 2.167 2.135 2.198 . 0 0 "[ . 1 . 2]" 1
541 1 35 LEU HA 1 35 LEU HB2 2.471 . 3.235 2.552 2.524 2.584 . 0 0 "[ . 1 . 2]" 1
542 1 34 ILE MG 1 35 LEU HA 2.494 . 6.000 3.750 3.650 3.835 . 0 0 "[ . 1 . 2]" 1
543 1 10 GLU HA 1 10 GLU HB3 2.347 . 3.036 2.425 2.273 2.542 . 0 0 "[ . 1 . 2]" 1
544 1 10 GLU HA 1 10 GLU HB2 2.309 . 2.976 2.480 2.361 2.668 . 0 0 "[ . 1 . 2]" 1
545 1 64 ALA HA 1 64 ALA MB 1.881 . 2.323 2.129 2.121 2.143 . 0 0 "[ . 1 . 2]" 1
546 1 10 GLU HA 1 92 TRP HZ3 2.464 . 6.000 4.582 4.106 4.944 . 0 0 "[ . 1 . 2]" 1
547 1 10 GLU HA 1 11 GLY H 2.139 . 2.711 2.308 2.247 2.386 . 0 0 "[ . 1 . 2]" 1
548 1 10 GLU H 1 10 GLU HA 2.621 . 3.480 2.917 2.867 2.941 . 0 0 "[ . 1 . 2]" 1
549 1 101 ALA HA 1 102 SER H 2.021 . 2.531 2.160 2.081 2.232 . 0 0 "[ . 1 . 2]" 1
550 1 64 ALA H 1 64 ALA HA 2.648 . 3.524 2.799 2.265 2.947 . 0 0 "[ . 1 . 2]" 1
551 1 101 ALA H 1 101 ALA HA 2.175 . 2.766 2.826 2.791 2.861 0.095 15 0 "[ . 1 . 2]" 1
552 1 71 LEU HA 1 71 LEU HB3 2.390 . 3.104 2.648 2.619 2.705 . 0 0 "[ . 1 . 2]" 1
553 1 71 LEU HA 1 71 LEU HB2 2.388 . 3.101 2.994 2.967 3.007 . 0 0 "[ . 1 . 2]" 1
554 1 71 LEU HA 1 71 LEU QD 2.195 . 2.797 1.962 1.881 2.026 . 0 0 "[ . 1 . 2]" 1
555 1 71 LEU H 1 71 LEU HA 2.466 . 3.226 2.949 2.939 2.957 . 0 0 "[ . 1 . 2]" 1
556 1 71 LEU HA 1 72 ILE H 2.037 . 2.555 2.144 2.117 2.172 . 0 0 "[ . 1 . 2]" 1
557 1 31 ASP HA 1 31 ASP HB2 2.144 . 2.719 2.447 2.335 2.584 . 0 0 "[ . 1 . 2]" 1
558 1 31 ASP HA 1 32 ASN H 1.963 . 2.445 2.121 2.087 2.157 . 0 0 "[ . 1 . 2]" 1
559 1 31 ASP H 1 31 ASP HA 2.594 . 3.435 2.926 2.903 2.940 . 0 0 "[ . 1 . 2]" 1
560 1 70 GLU HA 1 80 TYR HA 2.529 . 3.329 2.580 2.378 2.807 . 0 0 "[ . 1 . 2]" 1
561 1 15 LYS HA 1 16 TRP H 2.229 . 2.850 2.134 2.110 2.160 . 0 0 "[ . 1 . 2]" 1
562 1 15 LYS HA 1 81 MET HA 2.561 . 6.000 4.452 3.856 5.012 . 0 0 "[ . 1 . 2]" 1
563 1 15 LYS HA 1 15 LYS HB2 2.607 . 3.457 2.469 2.374 2.661 . 0 0 "[ . 1 . 2]" 1
564 1 15 LYS HA 1 15 LYS HD3 2.628 . 3.491 3.105 2.051 3.665 0.174 5 0 "[ . 1 . 2]" 1
565 1 15 LYS HA 1 15 LYS HB3 2.471 . 3.234 3.024 2.993 3.034 . 0 0 "[ . 1 . 2]" 1
566 1 81 MET HA 1 81 MET HB3 2.354 . 3.047 2.693 2.529 2.939 . 0 0 "[ . 1 . 2]" 1
567 1 81 MET HA 1 81 MET HB2 2.542 . 3.350 2.933 2.741 3.035 . 0 0 "[ . 1 . 2]" 1
568 1 81 MET HA 1 81 MET QG 2.676 . 3.440 2.365 2.259 2.479 . 0 0 "[ . 1 . 2]" 1
569 1 81 MET HA 1 82 LYS H 2.190 . 2.789 2.173 2.115 2.225 . 0 0 "[ . 1 . 2]" 1
570 1 70 GLU H 1 70 GLU HA 2.561 . 3.381 2.941 2.925 2.950 . 0 0 "[ . 1 . 2]" 1
571 1 70 GLU HA 1 71 LEU H 2.035 . 2.553 2.200 2.181 2.231 . 0 0 "[ . 1 . 2]" 1
572 1 66 ASN HA 1 66 ASN HB2 2.272 . 6.000 2.739 2.382 3.032 . 0 0 "[ . 1 . 2]" 1
573 1 66 ASN HA 1 66 ASN HB3 2.336 . 3.018 2.770 2.435 3.037 0.019 19 0 "[ . 1 . 2]" 1
574 1 13 LEU HA 1 13 LEU HB3 2.397 . 3.115 2.568 2.549 2.593 . 0 0 "[ . 1 . 2]" 1
575 1 13 LEU HA 1 13 LEU HG 2.507 . 6.000 3.725 3.694 3.745 . 0 0 "[ . 1 . 2]" 1
576 1 13 LEU HA 1 13 LEU HB2 2.520 . 3.314 3.017 3.009 3.025 . 0 0 "[ . 1 . 2]" 1
577 1 13 LEU H 1 13 LEU HA 2.705 . 3.619 2.936 2.931 2.949 . 0 0 "[ . 1 . 2]" 1
578 1 13 LEU HA 1 14 TYR H 2.132 . 2.700 2.274 2.185 2.335 . 0 0 "[ . 1 . 2]" 1
579 1 32 ASN HA 1 32 ASN HB2 2.124 . 2.688 2.705 2.492 3.015 0.327 17 0 "[ . 1 . 2]" 1
580 1 32 ASN HA 1 33 GLY H 2.190 . 2.790 2.706 2.489 2.917 0.127 1 0 "[ . 1 . 2]" 1
581 1 32 ASN H 1 32 ASN HA 1.951 . 2.427 2.264 2.250 2.282 . 0 0 "[ . 1 . 2]" 1
582 1 37 TYR HA 1 38 TYR H 2.214 . 2.827 2.193 2.149 2.249 . 0 0 "[ . 1 . 2]" 1
583 1 37 TYR HA 1 37 TYR HB2 2.373 . 3.077 2.484 2.385 2.566 . 0 0 "[ . 1 . 2]" 1
584 1 37 TYR HA 1 37 TYR HB3 2.404 . 3.126 2.420 2.333 2.518 . 0 0 "[ . 1 . 2]" 1
585 1 9 MET HA 1 9 MET HB2 2.222 . 2.839 2.436 2.407 2.457 . 0 0 "[ . 1 . 2]" 1
586 1 9 MET H 1 9 MET HA 2.382 . 3.091 2.932 2.921 2.946 . 0 0 "[ . 1 . 2]" 1
587 1 9 MET HA 1 10 GLU H 1.955 . 2.433 2.232 2.164 2.288 . 0 0 "[ . 1 . 2]" 1
588 1 55 ALA HA 1 56 VAL H 2.489 . 6.000 3.385 3.360 3.418 . 0 0 "[ . 1 . 2]" 1
589 1 86 ALA H 1 86 ALA HA 2.263 . 2.903 2.754 2.711 2.800 . 0 0 "[ . 1 . 2]" 1
590 1 87 ALA HA 1 90 GLN H 2.578 . 3.409 3.260 3.166 3.359 . 0 0 "[ . 1 . 2]" 1
591 1 86 ALA HA 1 89 ARG H 2.503 . 6.000 3.409 3.317 3.512 . 0 0 "[ . 1 . 2]" 1
592 1 49 LYS HA 1 50 GLY H 2.572 . 3.399 3.273 2.901 3.442 0.043 19 0 "[ . 1 . 2]" 1
593 1 86 ALA HA 1 89 ARG HB2 2.402 . 3.123 3.159 3.074 3.216 0.093 3 0 "[ . 1 . 2]" 1
594 1 49 LYS HA 1 49 LYS HB2 2.306 . 2.971 2.994 2.961 3.015 0.044 4 0 "[ . 1 . 2]" 1
595 1 103 LEU HA 1 103 LEU MD1 1.977 . 2.465 1.965 1.887 2.145 . 0 0 "[ . 1 . 2]" 1
596 1 95 ALA H 1 95 ALA HA 2.245 . 2.875 2.860 2.852 2.868 . 0 0 "[ . 1 . 2]" 1
597 1 61 VAL MG2 1 69 MET HA 2.562 . 6.000 4.106 3.591 5.070 . 0 0 "[ . 1 . 2]" 1
598 1 61 VAL HA 1 69 MET HA 2.599 . 6.000 4.331 3.880 5.443 . 0 0 "[ . 1 . 2]" 1
599 1 69 MET HA 1 70 GLU H 2.011 . 2.516 2.327 2.237 2.452 . 0 0 "[ . 1 . 2]" 1
600 1 77 GLN H 1 77 GLN HA 2.353 . 3.045 2.259 2.243 2.272 . 0 0 "[ . 1 . 2]" 1
601 1 77 GLN HA 1 77 GLN QB 2.189 . 2.788 2.176 2.154 2.396 . 0 0 "[ . 1 . 2]" 1
602 1 54 MET HA 1 54 MET ME 2.140 . 2.713 2.715 2.446 2.757 0.044 7 0 "[ . 1 . 2]" 1
603 1 52 ILE MG 1 54 MET HA 2.641 . 3.513 3.449 3.283 3.559 0.046 16 0 "[ . 1 . 2]" 1
604 1 54 MET H 1 54 MET HA 2.566 . 3.389 2.812 2.765 2.829 . 0 0 "[ . 1 . 2]" 1
605 1 42 ASP HA 1 43 ASP H 2.581 . 3.413 3.450 3.393 3.485 0.072 15 0 "[ . 1 . 2]" 1
606 1 42 ASP HA 1 42 ASP HB2 1.948 . 2.422 2.416 2.344 2.500 0.078 11 0 "[ . 1 . 2]" 1
607 1 107 ARG HA 1 107 ARG HB3 2.012 . 2.518 2.575 2.365 3.027 0.509 5 2 "[ + - . 2]" 1
608 1 53 LYS HA 1 53 LYS HB2 2.279 . 2.928 2.343 2.299 2.409 . 0 0 "[ . 1 . 2]" 1
609 1 76 GLU HA 1 76 GLU HB3 2.205 . 2.813 2.434 2.401 2.536 . 0 0 "[ . 1 . 2]" 1
610 1 12 VAL QG 1 27 TRP HA 2.397 . 3.115 2.780 2.554 3.045 . 0 0 "[ . 1 . 2]" 1
611 1 27 TRP HA 1 28 PHE HB2 2.555 . 6.000 4.500 4.459 4.531 . 0 0 "[ . 1 . 2]" 1
612 1 76 GLU HA 1 77 GLN H 2.527 . 6.000 3.540 3.485 3.563 . 0 0 "[ . 1 . 2]" 1
613 1 107 ARG HA 1 108 THR H 2.120 . 2.682 2.297 2.123 2.605 . 0 0 "[ . 1 . 2]" 1
614 1 53 LYS HA 1 54 MET H 2.006 . 2.509 2.167 2.144 2.226 . 0 0 "[ . 1 . 2]" 1
615 1 53 LYS H 1 53 LYS HA 2.591 . 3.430 2.888 2.873 2.903 . 0 0 "[ . 1 . 2]" 1
616 1 20 LEU HA 1 20 LEU HB3 2.058 . 2.588 2.498 2.476 2.529 . 0 0 "[ . 1 . 2]" 1
617 1 28 PHE HA 1 28 PHE HB2 2.580 . 3.412 3.029 3.026 3.033 . 0 0 "[ . 1 . 2]" 1
618 1 28 PHE HA 1 28 PHE HB3 2.601 . 3.446 2.502 2.481 2.522 . 0 0 "[ . 1 . 2]" 1
619 1 46 LYS HA 1 46 LYS HD2 2.131 . 2.699 2.403 2.087 2.706 0.007 2 0 "[ . 1 . 2]" 1
620 1 46 LYS HA 1 46 LYS HD3 2.408 . 3.133 2.712 2.429 3.050 . 0 0 "[ . 1 . 2]" 1
621 1 46 LYS HA 1 46 LYS HG3 2.521 . 6.000 3.813 3.750 3.934 . 0 0 "[ . 1 . 2]" 1
622 1 28 PHE HA 1 37 TYR HA 2.406 . 3.130 2.344 2.157 2.509 . 0 0 "[ . 1 . 2]" 1
623 1 36 SER HA 1 37 TYR H 2.162 . 2.746 2.232 2.109 2.282 . 0 0 "[ . 1 . 2]" 1
624 1 20 LEU H 1 20 LEU HA 2.268 . 2.911 2.853 2.830 2.861 . 0 0 "[ . 1 . 2]" 1
625 1 20 LEU HA 1 21 THR H 2.637 . 3.506 3.526 3.514 3.534 0.028 14 0 "[ . 1 . 2]" 1
626 1 46 LYS H 1 46 LYS HA 2.153 . 2.732 2.817 2.785 2.868 0.136 20 0 "[ . 1 . 2]" 1
627 1 40 SER HA 1 41 GLN H 2.105 . 2.659 2.658 2.580 2.698 0.039 10 0 "[ . 1 . 2]" 1
628 1 28 PHE HA 1 29 VAL H 2.043 . 2.565 2.245 2.206 2.278 . 0 0 "[ . 1 . 2]" 1
629 1 20 LEU HA 1 20 LEU HG 2.696 . 3.604 3.056 2.981 3.133 . 0 0 "[ . 1 . 2]" 1
630 1 40 SER HA 1 41 GLN HB2 2.726 . 6.000 4.730 4.526 4.934 . 0 0 "[ . 1 . 2]" 1
631 1 80 TYR HA 1 81 MET H 2.065 . 2.598 2.224 2.148 2.293 . 0 0 "[ . 1 . 2]" 1
632 1 36 SER H 1 36 SER HA 2.710 . 3.628 2.943 2.934 2.949 . 0 0 "[ . 1 . 2]" 1
633 1 36 SER HA 1 51 SER HB3 2.576 . 3.406 3.046 2.271 3.493 0.087 7 0 "[ . 1 . 2]" 1
634 1 36 SER HA 1 36 SER HB3 2.465 . 3.224 2.401 2.296 2.467 . 0 0 "[ . 1 . 2]" 1
635 1 36 SER HA 1 36 SER HB2 2.643 . 3.516 2.852 2.542 3.031 . 0 0 "[ . 1 . 2]" 1
636 1 80 TYR HA 1 80 TYR HB3 2.422 . 3.155 3.025 2.982 3.042 . 0 0 "[ . 1 . 2]" 1
637 1 36 SER HA 1 52 ILE H 2.512 . 3.301 2.766 2.360 3.009 . 0 0 "[ . 1 . 2]" 1
638 1 51 SER HA 1 51 SER HB3 2.367 . 3.067 2.430 2.357 2.504 . 0 0 "[ . 1 . 2]" 1
639 1 51 SER HA 1 51 SER HB2 2.481 . 3.250 2.908 2.470 3.034 . 0 0 "[ . 1 . 2]" 1
640 1 51 SER HA 1 52 ILE H 2.048 . 2.572 2.410 2.287 2.574 0.002 2 0 "[ . 1 . 2]" 1
641 1 14 TYR HA 1 15 LYS H 2.196 . 2.799 2.147 2.091 2.229 . 0 0 "[ . 1 . 2]" 1
642 1 14 TYR HA 1 26 ARG H 2.575 . 6.000 4.172 3.994 4.362 . 0 0 "[ . 1 . 2]" 1
643 1 14 TYR HA 1 25 PRO HA 2.322 . 2.996 3.052 2.926 3.135 0.139 12 0 "[ . 1 . 2]" 1
644 1 14 TYR HA 1 14 TYR HB3 2.511 . 3.299 2.799 2.506 3.022 . 0 0 "[ . 1 . 2]" 1
645 1 48 SER HA 1 49 LYS H 2.045 . 2.568 2.168 2.066 2.313 . 0 0 "[ . 1 . 2]" 1
646 1 41 GLN H 1 41 GLN HA 2.325 . 3.000 2.828 2.783 2.868 . 0 0 "[ . 1 . 2]" 1
647 1 100 LYS HA 1 101 ALA H 2.304 . 6.000 3.492 3.436 3.526 . 0 0 "[ . 1 . 2]" 1
648 1 100 LYS H 1 100 LYS HA 2.199 . 2.804 2.785 2.737 2.828 0.024 10 0 "[ . 1 . 2]" 1
649 1 96 LEU H 1 96 LEU HA 2.483 . 3.254 2.855 2.848 2.863 . 0 0 "[ . 1 . 2]" 1
650 1 100 LYS HA 1 103 LEU H 2.697 . 6.000 4.431 3.831 5.106 . 0 0 "[ . 1 . 2]" 1
651 1 100 LYS HA 1 100 LYS HB3 2.242 . 2.870 2.964 2.921 3.004 0.134 15 0 "[ . 1 . 2]" 1
652 1 100 LYS HA 1 100 LYS HB2 2.062 . 2.594 2.467 2.241 2.663 0.069 3 0 "[ . 1 . 2]" 1
653 1 96 LEU HA 1 96 LEU HB3 2.246 . 2.876 2.467 2.439 2.494 . 0 0 "[ . 1 . 2]" 1
654 1 96 LEU HA 1 96 LEU HB2 2.312 . 2.980 3.014 3.012 3.018 0.038 13 0 "[ . 1 . 2]" 1
655 1 96 LEU HA 1 96 LEU HG 2.680 . 3.578 2.927 2.850 3.009 . 0 0 "[ . 1 . 2]" 1
656 1 62 HIS HA 1 62 HIS HB3 2.455 . 3.209 2.938 2.565 3.033 . 0 0 "[ . 1 . 2]" 1
657 1 26 ARG HD3 1 39 ASP HA 2.616 . 3.472 3.544 2.742 3.933 0.461 16 0 "[ . 1 . 2]" 1
658 1 62 HIS HA 1 62 HIS HB2 2.670 . 3.561 2.610 2.399 3.012 . 0 0 "[ . 1 . 2]" 1
659 1 26 ARG HD2 1 39 ASP HA 2.852 . 3.869 2.957 1.812 4.000 0.131 2 0 "[ . 1 . 2]" 1
660 1 41 GLN HA 1 41 GLN HB2 2.235 . 2.859 2.487 2.417 2.796 . 0 0 "[ . 1 . 2]" 1
661 1 41 GLN HA 1 41 GLN HG2 2.399 . 3.118 2.947 2.382 3.745 0.627 7 1 "[ . + 1 . 2]" 1
662 1 41 GLN HA 1 41 GLN HB3 2.403 . 3.125 3.017 2.905 3.029 . 0 0 "[ . 1 . 2]" 1
663 1 41 GLN HA 1 41 GLN HG3 2.732 . 3.665 2.913 2.517 3.650 . 0 0 "[ . 1 . 2]" 1
664 1 93 LEU HA 1 93 LEU HB3 2.167 . 2.754 2.737 2.696 2.772 0.018 6 0 "[ . 1 . 2]" 1
665 1 93 LEU HA 1 94 VAL H 2.649 . 3.526 3.520 3.507 3.532 0.006 8 0 "[ . 1 . 2]" 1
666 1 93 LEU H 1 93 LEU HA 2.337 . 3.019 2.799 2.790 2.815 . 0 0 "[ . 1 . 2]" 1
667 1 90 GLN HA 1 93 LEU MD2 2.201 . 2.806 2.437 2.123 2.814 0.008 1 0 "[ . 1 . 2]" 1
668 1 90 GLN HA 1 93 LEU HB2 2.231 . 2.853 1.905 1.725 2.008 . 0 0 "[ . 1 . 2]" 1
669 1 90 GLN HA 1 93 LEU HB3 2.423 . 3.157 3.197 3.173 3.227 0.070 6 0 "[ . 1 . 2]" 1
670 1 90 GLN HA 1 91 ARG H 2.667 . 3.556 3.520 3.504 3.533 . 0 0 "[ . 1 . 2]" 1
671 1 90 GLN H 1 90 GLN HA 2.212 . 2.824 2.818 2.797 2.842 0.018 11 0 "[ . 1 . 2]" 1
672 1 90 GLN HA 1 93 LEU H 2.522 . 3.317 3.195 2.999 3.346 0.029 17 0 "[ . 1 . 2]" 1
673 1 88 GLU HA 1 88 GLU HB3 2.205 . 2.813 2.522 2.457 2.611 . 0 0 "[ . 1 . 2]" 1
674 1 88 GLU HA 1 88 GLU HB2 2.297 . 2.957 3.006 2.993 3.014 0.057 2 0 "[ . 1 . 2]" 1
675 1 88 GLU HA 1 91 ARG HB2 2.456 . 3.210 2.919 2.562 3.229 0.019 1 0 "[ . 1 . 2]" 1
676 1 88 GLU HA 1 91 ARG HG3 2.367 . 3.068 2.888 2.227 3.110 0.042 9 0 "[ . 1 . 2]" 1
677 1 88 GLU HA 1 91 ARG H 2.523 . 3.319 3.240 3.080 3.333 0.014 13 0 "[ . 1 . 2]" 1
678 1 88 GLU HA 1 89 ARG H 2.631 . 3.496 3.505 3.471 3.524 0.028 16 0 "[ . 1 . 2]" 1
679 1 88 GLU H 1 88 GLU HA 2.276 . 2.923 2.801 2.792 2.813 . 0 0 "[ . 1 . 2]" 1
680 1 45 CYS H 1 45 CYS HA 2.216 . 2.830 2.839 2.805 2.896 0.066 20 0 "[ . 1 . 2]" 1
681 1 45 CYS HA 1 46 LYS H 2.583 . 6.000 3.453 3.403 3.492 . 0 0 "[ . 1 . 2]" 1
682 1 44 VAL MG1 1 45 CYS HA 2.507 . 3.293 3.343 3.305 3.373 0.080 7 0 "[ . 1 . 2]" 1
683 1 56 VAL HA 1 56 VAL HB 2.014 . 2.521 2.537 2.525 2.551 0.030 1 0 "[ . 1 . 2]" 1
684 1 56 VAL HA 1 56 VAL MG2 2.074 . 2.612 2.285 2.257 2.301 . 0 0 "[ . 1 . 2]" 1
685 1 56 VAL H 1 56 VAL HA 2.509 . 3.296 2.947 2.942 2.950 . 0 0 "[ . 1 . 2]" 1
686 1 91 ARG HA 1 94 VAL HB 2.492 . 3.268 3.054 2.839 3.138 . 0 0 "[ . 1 . 2]" 1
687 1 91 ARG HA 1 91 ARG HG2 2.294 . 2.952 2.535 2.430 2.668 . 0 0 "[ . 1 . 2]" 1
688 1 91 ARG HA 1 94 VAL MG2 2.623 . 3.483 2.722 2.558 2.888 . 0 0 "[ . 1 . 2]" 1
689 1 91 ARG HA 1 92 TRP H 2.703 . 3.617 3.552 3.537 3.562 . 0 0 "[ . 1 . 2]" 1
690 1 91 ARG HA 1 94 VAL H 2.648 . 3.525 3.376 3.258 3.450 . 0 0 "[ . 1 . 2]" 1
691 1 52 ILE HA 1 52 ILE HG13 2.397 . 3.115 3.006 2.948 3.066 . 0 0 "[ . 1 . 2]" 1
692 1 52 ILE HA 1 53 LYS H 1.830 . 2.249 2.115 2.083 2.152 . 0 0 "[ . 1 . 2]" 1
693 1 52 ILE H 1 52 ILE HA 2.553 . 3.367 2.943 2.939 2.949 . 0 0 "[ . 1 . 2]" 1
694 1 72 ILE HA 1 72 ILE HG13 2.617 . 3.473 3.321 3.284 3.372 . 0 0 "[ . 1 . 2]" 1
695 1 16 TRP HZ2 1 19 TYR HA 2.263 . 2.903 2.575 2.036 2.942 0.039 8 0 "[ . 1 . 2]" 1
696 1 16 TRP HH2 1 19 TYR HA 2.593 . 3.433 2.872 2.522 3.311 . 0 0 "[ . 1 . 2]" 1
697 1 98 SER HA 1 101 ALA H 2.607 . 6.000 3.491 3.136 3.797 . 0 0 "[ . 1 . 2]" 1
698 1 72 ILE HA 1 73 ILE H 1.977 . 2.466 2.090 2.071 2.109 . 0 0 "[ . 1 . 2]" 1
699 1 19 TYR H 1 19 TYR HA 2.408 . 3.133 2.835 2.780 2.875 . 0 0 "[ . 1 . 2]" 1
700 1 69 MET ME 1 89 ARG HA 2.214 . 2.827 2.895 2.865 2.936 0.109 3 0 "[ . 1 . 2]" 1
701 1 89 ARG HA 1 92 TRP HB2 2.758 . 3.709 3.041 2.831 3.272 . 0 0 "[ . 1 . 2]" 1
702 1 98 SER HA 1 101 ALA MB 2.248 . 2.880 2.795 2.469 2.920 0.040 19 0 "[ . 1 . 2]" 1
703 1 17 THR H 1 17 THR HA 2.596 . 3.438 2.935 2.870 2.945 . 0 0 "[ . 1 . 2]" 1
704 1 92 TRP HA 1 96 LEU MD1 2.493 . 3.270 3.342 3.326 3.366 0.096 8 0 "[ . 1 . 2]" 1
705 1 106 THR HA 1 106 THR MG 2.235 . 2.859 2.256 2.157 2.323 . 0 0 "[ . 1 . 2]" 1
706 1 67 THR HA 1 83 ALA MB 2.403 . 3.125 3.053 2.437 3.305 0.180 3 0 "[ . 1 . 2]" 1
707 1 67 THR HA 1 89 ARG HB3 2.352 . 3.044 3.065 2.745 3.185 0.141 19 0 "[ . 1 . 2]" 1
708 1 61 VAL HA 1 61 VAL HB 2.272 . 6.000 3.038 3.028 3.048 . 0 0 "[ . 1 . 2]" 1
709 1 61 VAL HA 1 62 HIS H 2.170 . 2.758 2.148 2.086 2.250 . 0 0 "[ . 1 . 2]" 1
710 1 61 VAL H 1 61 VAL HA 2.528 . 3.327 2.931 2.919 2.941 . 0 0 "[ . 1 . 2]" 1
711 1 21 THR HA 1 21 THR MG 1.850 . 2.278 2.239 2.214 2.262 . 0 0 "[ . 1 . 2]" 1
712 1 12 VAL HA 1 12 VAL QG 2.177 . 6.000 2.495 2.069 2.568 . 0 0 "[ . 1 . 2]" 1
713 1 12 VAL HA 1 13 LEU H 2.156 . 2.737 2.309 2.169 2.353 . 0 0 "[ . 1 . 2]" 1
714 1 25 PRO HA 1 26 ARG H 2.015 . 2.523 2.170 2.133 2.261 . 0 0 "[ . 1 . 2]" 1
715 1 15 LYS H 1 25 PRO HA 2.647 . 3.523 3.416 3.050 3.584 0.061 2 0 "[ . 1 . 2]" 1
716 1 48 SER QB 1 50 GLY H 2.369 . 3.070 2.581 2.218 3.043 . 0 0 "[ . 1 . 2]" 1
717 1 48 SER QB 1 49 LYS H 2.397 . 3.115 3.011 2.810 3.128 0.013 20 0 "[ . 1 . 2]" 1
718 1 72 ILE MD 1 74 PRO HA 2.657 . 3.540 3.377 3.031 3.610 0.070 14 0 "[ . 1 . 2]" 1
719 1 74 PRO HA 1 76 GLU H 2.485 . 6.000 4.323 3.912 4.617 . 0 0 "[ . 1 . 2]" 1
720 1 74 PRO HA 1 75 GLY H 1.934 . 2.402 2.137 2.122 2.160 . 0 0 "[ . 1 . 2]" 1
721 1 84 VAL HA 1 85 ASN H 2.462 . 6.000 3.564 3.551 3.578 . 0 0 "[ . 1 . 2]" 1
722 1 44 VAL H 1 44 VAL HA 2.316 . 2.987 2.816 2.791 2.844 . 0 0 "[ . 1 . 2]" 1
723 1 38 TYR QE 1 44 VAL HA 2.481 . 3.250 2.989 2.402 3.292 0.042 9 0 "[ . 1 . 2]" 1
724 1 44 VAL HA 1 45 CYS H 2.719 . 3.643 3.515 3.497 3.544 . 0 0 "[ . 1 . 2]" 1
725 1 44 VAL HA 1 44 VAL MG1 2.068 . 2.602 2.438 2.391 2.490 . 0 0 "[ . 1 . 2]" 1
726 1 44 VAL HA 1 44 VAL MG2 2.098 . 2.648 2.361 2.299 2.399 . 0 0 "[ . 1 . 2]" 1
727 1 36 SER H 1 36 SER HB2 2.618 . 3.475 3.007 2.539 3.670 0.195 7 0 "[ . 1 . 2]" 1
728 1 51 SER HB3 1 52 ILE H 2.307 . 2.972 2.752 2.208 3.745 0.773 12 5 "[ - . * *1 + . *2]" 1
729 1 94 VAL HA 1 95 ALA H 2.684 . 3.585 3.581 3.573 3.588 0.003 11 0 "[ . 1 . 2]" 1
730 1 17 THR HB 1 17 THR MG 1.869 . 2.306 2.134 2.130 2.137 . 0 0 "[ . 1 . 2]" 1
731 1 21 THR HB 1 24 GLN HG3 2.724 . 3.652 3.756 3.271 4.522 0.870 17 5 "[ - . * *1 . +* 2]" 1
732 1 21 THR H 1 21 THR HB 2.341 . 6.000 3.561 3.522 3.586 . 0 0 "[ . 1 . 2]" 1
733 1 21 THR HB 1 24 GLN HE21 2.381 . 3.090 2.651 1.803 3.138 0.048 2 0 "[ . 1 . 2]" 1
734 1 104 THR HB 1 105 ASP H 2.345 . 3.032 2.318 1.838 3.012 . 0 0 "[ . 1 . 2]" 1
735 1 104 THR H 1 104 THR HB 2.222 . 6.000 3.602 3.394 4.107 . 0 0 "[ . 1 . 2]" 1
736 1 106 THR H 1 106 THR HB 2.479 . 6.000 3.867 3.475 4.101 . 0 0 "[ . 1 . 2]" 1
737 1 67 THR HB 1 83 ALA H 2.322 . 2.996 2.328 1.781 3.009 0.013 2 0 "[ . 1 . 2]" 1
738 1 67 THR HB 1 83 ALA MB 2.490 . 3.265 3.262 2.755 3.428 0.163 9 0 "[ . 1 . 2]" 1
739 1 108 THR HB 1 108 THR MG 2.257 . 2.894 2.133 2.128 2.138 . 0 0 "[ . 1 . 2]" 1
740 1 9 MET ME 1 92 TRP HE1 2.310 . 2.977 2.972 2.833 3.018 0.041 15 0 "[ . 1 . 2]" 1
741 1 81 MET ME 1 92 TRP HZ3 2.752 . 3.699 3.779 3.724 3.835 0.136 8 0 "[ . 1 . 2]" 1
742 1 89 ARG H 1 89 ARG HA 2.346 . 3.034 2.799 2.786 2.823 . 0 0 "[ . 1 . 2]" 1
743 1 89 ARG HA 1 92 TRP HD1 2.584 . 3.418 2.990 2.600 3.232 . 0 0 "[ . 1 . 2]" 1
744 1 11 GLY HA3 1 92 TRP HZ2 2.790 . 3.763 2.373 2.174 2.566 . 0 0 "[ . 1 . 2]" 1
745 1 16 TRP HA 1 16 TRP HE3 2.739 . 3.677 2.924 2.735 3.265 . 0 0 "[ . 1 . 2]" 1
746 1 35 LEU HG 1 54 MET ME 2.321 . 6.000 4.412 4.066 4.822 . 0 0 "[ . 1 . 2]" 1
747 1 54 MET ME 1 96 LEU HB3 2.085 . 2.628 2.640 2.483 2.730 0.102 8 0 "[ . 1 . 2]" 1
748 1 13 LEU MD1 1 69 MET ME 1.817 . 2.229 2.354 2.293 2.401 0.172 15 0 "[ . 1 . 2]" 1
749 1 59 ILE MD 1 69 MET ME 2.225 . 2.844 3.003 2.943 3.081 0.237 11 0 "[ . 1 . 2]" 1
750 1 69 MET ME 1 69 MET QG 1.897 . 2.347 2.305 2.094 2.353 0.006 9 0 "[ . 1 . 2]" 1
751 1 69 MET ME 1 92 TRP HB2 2.144 . 2.718 2.050 1.911 2.273 . 0 0 "[ . 1 . 2]" 1
752 1 69 MET ME 1 92 TRP HB3 2.111 . 2.668 2.424 2.216 2.530 . 0 0 "[ . 1 . 2]" 1
753 1 69 MET ME 1 92 TRP HD1 2.428 . 3.165 3.250 3.216 3.285 0.120 17 0 "[ . 1 . 2]" 1
754 1 69 MET ME 1 92 TRP HE3 2.579 . 6.000 4.357 4.130 4.466 . 0 0 "[ . 1 . 2]" 1
755 1 69 MET ME 1 92 TRP H 2.518 . 6.000 3.996 3.845 4.192 . 0 0 "[ . 1 . 2]" 1
756 1 69 MET ME 1 83 ALA H 2.716 . 3.638 3.633 3.413 3.704 0.066 9 0 "[ . 1 . 2]" 1
757 1 9 MET H 1 30 LEU HB3 2.921 . 3.988 2.920 2.531 3.485 . 0 0 "[ . 1 . 2]" 1
758 1 12 VAL QG 1 28 PHE H 2.752 . 6.000 4.011 3.809 4.229 . 0 0 "[ . 1 . 2]" 1
759 1 16 TRP H 1 16 TRP HA 2.850 . 3.866 2.847 2.818 2.890 . 0 0 "[ . 1 . 2]" 1
760 1 16 TRP HA 1 24 GLN H 2.891 . 3.936 3.760 3.447 3.962 0.026 8 0 "[ . 1 . 2]" 1
761 1 18 ASN H 1 18 ASN HA 2.807 . 3.792 2.921 2.857 2.949 . 0 0 "[ . 1 . 2]" 1
762 1 38 TYR HA 1 39 ASP H 2.348 . 3.037 2.446 2.291 2.571 . 0 0 "[ . 1 . 2]" 1
763 1 41 GLN HA 1 42 ASP H 2.897 . 3.946 3.544 3.504 3.585 . 0 0 "[ . 1 . 2]" 1
764 1 27 TRP HE1 1 41 GLN HA 2.886 . 3.927 3.736 3.268 3.992 0.065 6 0 "[ . 1 . 2]" 1
765 1 63 SER HA 1 64 ALA H 2.742 . 3.682 2.761 2.094 3.572 . 0 0 "[ . 1 . 2]" 1
766 1 68 ARG HA 1 69 MET H 2.054 . 2.581 2.204 2.078 2.289 . 0 0 "[ . 1 . 2]" 1
767 1 17 THR H 1 17 THR MG 2.412 . 3.139 3.016 2.742 3.139 . 0 0 "[ . 1 . 2]" 1
768 1 83 ALA MB 1 89 ARG HB2 2.039 . 2.559 2.455 1.869 2.585 0.026 10 0 "[ . 1 . 2]" 1
769 1 67 THR HB 1 67 THR MG 1.840 . 2.263 2.125 2.117 2.133 . 0 0 "[ . 1 . 2]" 1
770 1 67 THR HA 1 67 THR MG 2.039 . 2.559 2.350 2.231 2.522 . 0 0 "[ . 1 . 2]" 1
771 1 67 THR MG 1 86 ALA HA 2.260 . 2.899 2.583 2.106 2.915 0.016 1 0 "[ . 1 . 2]" 1
772 1 67 THR MG 1 85 ASN H 2.527 . 3.325 3.210 2.936 3.460 0.135 7 0 "[ . 1 . 2]" 1
773 1 67 THR MG 1 86 ALA H 2.247 . 2.878 2.916 2.665 3.038 0.160 8 0 "[ . 1 . 2]" 1
774 1 67 THR H 1 67 THR MG 2.149 . 2.726 2.575 1.962 2.796 0.070 3 0 "[ . 1 . 2]" 1
775 1 67 THR MG 1 85 ASN HB2 2.535 . 6.000 4.053 3.634 4.504 . 0 0 "[ . 1 . 2]" 1
776 1 67 THR MG 1 86 ALA MB 2.124 . 6.000 3.409 2.991 3.741 . 0 0 "[ . 1 . 2]" 1
777 1 12 VAL QG 1 25 PRO HB2 2.196 . 2.799 2.457 1.583 2.656 0.010 16 0 "[ . 1 . 2]" 1
778 1 12 VAL QG 1 25 PRO HB3 2.215 . 2.828 2.663 2.559 2.820 . 0 0 "[ . 1 . 2]" 1
779 1 12 VAL QG 1 25 PRO HA 2.559 . 3.377 3.146 2.545 3.353 . 0 0 "[ . 1 . 2]" 1
780 1 12 VAL QG 1 23 TRP HH2 2.692 . 3.598 3.619 3.572 3.767 0.169 16 0 "[ . 1 . 2]" 1
781 1 61 VAL MG2 1 69 MET QG 2.611 . 3.463 2.841 2.677 3.385 . 0 0 "[ . 1 . 2]" 1
782 1 61 VAL MG1 1 62 HIS H 2.479 . 3.247 2.933 2.200 3.252 0.005 14 0 "[ . 1 . 2]" 1
783 1 43 ASP H 1 44 VAL MG2 2.809 . 3.796 3.726 3.325 3.830 0.034 11 0 "[ . 1 . 2]" 1
784 1 13 LEU MD1 1 83 ALA H 2.694 . 3.601 3.154 2.956 3.335 . 0 0 "[ . 1 . 2]" 1
785 1 20 LEU H 1 20 LEU HG 2.272 . 2.917 2.434 2.337 2.551 . 0 0 "[ . 1 . 2]" 1
786 1 20 LEU HG 1 21 THR H 2.615 . 6.000 4.391 4.279 4.513 . 0 0 "[ . 1 . 2]" 1
787 1 20 LEU HB2 1 20 LEU HG 2.174 . 2.765 2.474 2.450 2.496 . 0 0 "[ . 1 . 2]" 1
788 1 20 LEU MD1 1 20 LEU HG 1.935 . 2.403 2.126 2.124 2.129 . 0 0 "[ . 1 . 2]" 1
789 1 103 LEU HG 1 104 THR H 2.179 . 2.773 2.047 1.454 2.870 0.131 20 0 "[ . 1 . 2]" 1
790 1 9 MET ME 1 92 TRP HE3 2.821 . 6.000 4.062 3.923 4.169 . 0 0 "[ . 1 . 2]" 1
791 1 92 TRP HA 1 92 TRP HE3 2.357 . 3.051 2.875 2.694 3.017 . 0 0 "[ . 1 . 2]" 1
792 1 104 THR HA 1 104 THR MG 1.889 . 2.335 2.193 2.139 2.237 . 0 0 "[ . 1 . 2]" 1
793 1 104 THR MG 1 105 ASP H 2.434 . 3.175 3.124 2.797 3.318 0.143 9 0 "[ . 1 . 2]" 1
794 1 104 THR H 1 104 THR MG 2.255 . 2.891 2.763 2.559 2.950 0.059 13 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 38
_Distance_constraint_stats_list.Viol_count 134
_Distance_constraint_stats_list.Viol_total 107.008
_Distance_constraint_stats_list.Viol_max 0.102
_Distance_constraint_stats_list.Viol_rms 0.0185
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0070
_Distance_constraint_stats_list.Viol_average_violations_only 0.0399
_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 9 MET 0.173 0.056 15 0 "[ . 1 . 2]"
1 11 GLY 0.019 0.019 18 0 "[ . 1 . 2]"
1 13 LEU 0.032 0.018 16 0 "[ . 1 . 2]"
1 14 TYR 0.116 0.049 15 0 "[ . 1 . 2]"
1 15 LYS 0.066 0.040 5 0 "[ . 1 . 2]"
1 24 GLN 0.066 0.040 5 0 "[ . 1 . 2]"
1 26 ARG 0.032 0.018 16 0 "[ . 1 . 2]"
1 28 PHE 0.019 0.019 18 0 "[ . 1 . 2]"
1 29 VAL 0.116 0.053 2 0 "[ . 1 . 2]"
1 30 LEU 0.173 0.056 15 0 "[ . 1 . 2]"
1 31 ASP 0.372 0.063 20 0 "[ . 1 . 2]"
1 34 ILE 0.372 0.063 20 0 "[ . 1 . 2]"
1 35 LEU 0.457 0.066 16 0 "[ . 1 . 2]"
1 36 SER 0.116 0.053 2 0 "[ . 1 . 2]"
1 52 ILE 0.457 0.066 16 0 "[ . 1 . 2]"
1 58 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LYS 1.026 0.088 2 0 "[ . 1 . 2]"
1 69 MET 0.105 0.050 15 0 "[ . 1 . 2]"
1 70 GLU 1.026 0.088 2 0 "[ . 1 . 2]"
1 72 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 MET 0.105 0.050 15 0 "[ . 1 . 2]"
1 82 LYS 0.116 0.049 15 0 "[ . 1 . 2]"
1 88 GLU 0.114 0.032 7 0 "[ . 1 . 2]"
1 89 ARG 0.027 0.017 3 0 "[ . 1 . 2]"
1 91 ARG 1.696 0.102 15 0 "[ . 1 . 2]"
1 92 TRP 1.145 0.071 1 0 "[ . 1 . 2]"
1 93 LEU 0.027 0.017 3 0 "[ . 1 . 2]"
1 95 ALA 1.696 0.102 15 0 "[ . 1 . 2]"
1 96 LEU 1.031 0.071 1 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 13 LEU H 1 26 ARG O 2.300 . 2.400 2.077 1.889 2.191 . 0 0 "[ . 1 . 2]" 2
2 1 13 LEU N 1 26 ARG O 3.300 2.600 3.400 2.985 2.821 3.096 . 0 0 "[ . 1 . 2]" 2
3 1 14 TYR H 1 82 LYS O 2.300 . 2.400 1.860 1.751 2.064 0.049 15 0 "[ . 1 . 2]" 2
4 1 14 TYR N 1 82 LYS O 3.300 2.600 3.400 2.817 2.710 3.015 . 0 0 "[ . 1 . 2]" 2
5 1 15 LYS H 1 24 GLN O 2.300 . 2.400 2.209 1.929 2.440 0.040 5 0 "[ . 1 . 2]" 2
6 1 15 LYS N 1 24 GLN O 3.300 2.600 3.400 3.069 2.841 3.220 . 0 0 "[ . 1 . 2]" 2
7 1 13 LEU O 1 26 ARG H 2.300 . 2.400 2.198 2.054 2.418 0.018 16 0 "[ . 1 . 2]" 2
8 1 13 LEU O 1 26 ARG N 3.300 2.600 3.400 3.144 3.015 3.312 . 0 0 "[ . 1 . 2]" 2
9 1 11 GLY O 1 28 PHE H 2.300 . 2.400 1.877 1.781 1.944 0.019 18 0 "[ . 1 . 2]" 2
10 1 11 GLY O 1 28 PHE N 3.300 2.600 3.400 2.841 2.754 2.911 . 0 0 "[ . 1 . 2]" 2
11 1 29 VAL H 1 36 SER O 2.300 . 2.400 1.908 1.787 2.048 0.013 10 0 "[ . 1 . 2]" 2
12 1 29 VAL N 1 36 SER O 3.300 2.600 3.400 2.865 2.743 3.006 . 0 0 "[ . 1 . 2]" 2
13 1 9 MET O 1 30 LEU H 2.300 . 2.400 1.878 1.744 2.139 0.056 15 0 "[ . 1 . 2]" 2
14 1 9 MET O 1 30 LEU N 3.300 2.600 3.400 2.809 2.688 3.099 . 0 0 "[ . 1 . 2]" 2
15 1 31 ASP H 1 34 ILE O 2.300 . 2.400 1.788 1.737 1.861 0.063 20 0 "[ . 1 . 2]" 2
16 1 31 ASP N 1 34 ILE O 3.300 2.600 3.400 2.769 2.719 2.841 . 0 0 "[ . 1 . 2]" 2
17 1 31 ASP O 1 34 ILE H 2.300 . 2.400 2.018 1.808 2.245 . 0 0 "[ . 1 . 2]" 2
18 1 31 ASP O 1 34 ILE N 3.300 2.600 3.400 2.923 2.730 3.146 . 0 0 "[ . 1 . 2]" 2
19 1 35 LEU H 1 52 ILE O 2.300 . 2.400 1.801 1.734 1.961 0.066 16 0 "[ . 1 . 2]" 2
20 1 35 LEU N 1 52 ILE O 3.300 2.600 3.400 2.747 2.666 2.877 . 0 0 "[ . 1 . 2]" 2
21 1 29 VAL O 1 36 SER H 2.300 . 2.400 1.873 1.747 2.017 0.053 2 0 "[ . 1 . 2]" 2
22 1 29 VAL O 1 36 SER N 3.300 2.600 3.400 2.832 2.724 2.977 . 0 0 "[ . 1 . 2]" 2
23 1 60 LYS H 1 70 GLU O 2.300 . 2.400 1.749 1.712 1.790 0.088 2 0 "[ . 1 . 2]" 2
24 1 60 LYS N 1 70 GLU O 3.300 2.600 3.400 2.713 2.671 2.758 . 0 0 "[ . 1 . 2]" 2
25 1 69 MET H 1 81 MET O 2.300 . 2.400 2.188 1.840 2.450 0.050 15 0 "[ . 1 . 2]" 2
26 1 69 MET N 1 81 MET O 3.300 2.600 3.400 3.131 2.805 3.376 . 0 0 "[ . 1 . 2]" 2
27 1 58 GLU O 1 72 ILE H 2.300 . 2.400 1.883 1.818 2.019 . 0 0 "[ . 1 . 2]" 2
28 1 58 GLU O 1 72 ILE N 3.300 2.600 3.400 2.848 2.789 2.966 . 0 0 "[ . 1 . 2]" 2
29 1 69 MET O 1 81 MET H 2.300 . 2.400 2.010 1.790 2.393 0.010 19 0 "[ . 1 . 2]" 2
30 1 69 MET O 1 81 MET N 3.300 2.600 3.400 2.936 2.744 3.348 . 0 0 "[ . 1 . 2]" 2
31 1 88 GLU O 1 92 TRP H 2.300 . 2.400 2.332 2.188 2.432 0.032 7 0 "[ . 1 . 2]" 2
32 1 88 GLU O 1 92 TRP N 3.300 2.600 3.400 3.283 3.151 3.383 . 0 0 "[ . 1 . 2]" 2
33 1 89 ARG O 1 93 LEU H 2.300 . 2.400 1.880 1.783 2.041 0.017 3 0 "[ . 1 . 2]" 2
34 1 89 ARG O 1 93 LEU N 3.300 2.600 3.400 2.791 2.699 2.951 . 0 0 "[ . 1 . 2]" 2
35 1 91 ARG O 1 95 ALA H 2.300 . 2.400 2.464 2.390 2.502 0.102 15 0 "[ . 1 . 2]" 2
36 1 91 ARG O 1 95 ALA N 3.300 2.600 3.400 3.413 3.343 3.449 0.049 15 0 "[ . 1 . 2]" 2
37 1 92 TRP O 1 96 LEU H 2.300 . 2.400 1.748 1.729 1.781 0.071 1 0 "[ . 1 . 2]" 2
38 1 92 TRP O 1 96 LEU N 3.300 2.600 3.400 2.691 2.672 2.731 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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