NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
556004 |
2lrs   |
18393 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lrs
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 1001
_Distance_constraint_stats_list.Viol_count 2322
_Distance_constraint_stats_list.Viol_total 4558.863
_Distance_constraint_stats_list.Viol_max 0.994
_Distance_constraint_stats_list.Viol_rms 0.0497
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0114
_Distance_constraint_stats_list.Viol_average_violations_only 0.0982
_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 1 ASN 0.441 0.077 12 0 "[ . 1 . 2]"
1 2 ASP 3.067 0.202 12 0 "[ . 1 . 2]"
1 3 ILE 10.654 0.522 15 2 "[ . 1 + - 2]"
1 4 CYS 1.819 0.117 11 0 "[ . 1 . 2]"
1 5 LEU 9.375 0.251 14 0 "[ . 1 . 2]"
1 6 ARG 8.339 0.522 15 2 "[ . 1 + - 2]"
1 7 LYS 3.895 0.800 3 1 "[ + . 1 . 2]"
1 8 ASN 3.259 0.400 16 0 "[ . 1 . 2]"
1 9 TRP 6.312 0.800 3 1 "[ + . 1 . 2]"
1 10 PRO 5.769 0.647 10 1 "[ . + . 2]"
1 11 MET 5.512 0.272 3 0 "[ . 1 . 2]"
1 12 PRO 3.790 0.764 15 1 "[ . 1 + 2]"
1 13 SER 10.090 0.216 19 0 "[ . 1 . 2]"
1 14 TYR 8.031 0.186 2 0 "[ . 1 . 2]"
1 15 ARG 10.575 0.609 8 9 "[ ** * + 1* **. * -]"
1 16 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 VAL 2.254 0.208 15 0 "[ . 1 . 2]"
1 18 LYS 14.346 0.630 15 4 "[ - . ** 1 + 2]"
1 19 GLU 3.930 0.212 5 0 "[ . 1 . 2]"
1 20 GLY 0.425 0.357 11 0 "[ . 1 . 2]"
1 21 GLY 2.053 0.291 13 0 "[ . 1 . 2]"
1 22 PRO 3.768 0.291 13 0 "[ . 1 . 2]"
1 23 ALA 0.039 0.038 8 0 "[ . 1 . 2]"
1 24 HIS 1.152 0.074 16 0 "[ . 1 . 2]"
1 25 ALA 1.476 0.256 13 0 "[ . 1 . 2]"
1 26 LYS 7.201 0.560 5 1 "[ + 1 . 2]"
1 27 ARG 3.191 0.279 12 0 "[ . 1 . 2]"
1 28 PHE 8.641 0.483 15 0 "[ . 1 . 2]"
1 29 THR 1.160 0.110 8 0 "[ . 1 . 2]"
1 30 PHE 15.563 0.273 7 0 "[ . 1 . 2]"
1 31 GLY 0.704 0.158 13 0 "[ . 1 . 2]"
1 32 VAL 2.996 0.186 2 0 "[ . 1 . 2]"
1 33 ARG 6.451 0.781 2 1 "[ + . 1 . 2]"
1 34 VAL 6.033 0.167 2 0 "[ . 1 . 2]"
1 35 ASN 1.479 0.153 10 0 "[ . 1 . 2]"
1 36 THR 6.120 0.265 3 0 "[ . 1 . 2]"
1 37 SER 1.890 0.265 3 0 "[ . 1 . 2]"
1 38 ASP 2.891 0.655 16 2 "[ . -1 .+ 2]"
1 39 ARG 0.545 0.135 3 0 "[ . 1 . 2]"
1 40 GLY 4.295 0.168 6 0 "[ . 1 . 2]"
1 41 TRP 18.302 0.781 2 2 "[ + . 1 - 2]"
1 42 THR 1.715 0.406 9 0 "[ . 1 . 2]"
1 43 ASP 0.187 0.056 6 0 "[ . 1 . 2]"
1 44 GLU 8.988 0.469 13 0 "[ . 1 . 2]"
1 45 CYS 4.577 0.267 19 0 "[ . 1 . 2]"
1 46 ILE 12.327 0.469 13 0 "[ . 1 . 2]"
1 47 GLY 1.570 0.221 13 0 "[ . 1 . 2]"
1 48 GLU 9.774 0.357 15 0 "[ . 1 . 2]"
1 49 PRO 1.888 0.550 20 3 "[ *. -1 . +]"
1 50 MET 10.522 0.338 15 0 "[ . 1 . 2]"
1 51 PRO 4.618 0.228 8 0 "[ . 1 . 2]"
1 52 SER 0.623 0.113 13 0 "[ . 1 . 2]"
1 53 VAL 0.968 0.199 15 0 "[ . 1 . 2]"
1 54 LYS 11.139 0.967 17 6 "[* * - ** . + 2]"
1 55 LYS 10.014 0.967 17 5 "[- * . ** . + 2]"
1 56 ALA 3.014 0.212 5 0 "[ . 1 . 2]"
1 57 LYS 1.145 0.095 3 0 "[ . 1 . 2]"
1 58 ASP 0.372 0.095 3 0 "[ . 1 . 2]"
1 59 SER 1.315 0.197 18 0 "[ . 1 . 2]"
1 60 ALA 3.904 0.168 15 0 "[ . 1 . 2]"
1 61 ALA 5.169 0.603 16 2 "[ . 1- .+ 2]"
1 62 VAL 0.535 0.139 18 0 "[ . 1 . 2]"
1 63 LEU 2.763 0.139 18 0 "[ . 1 . 2]"
1 64 LEU 12.733 0.603 16 2 "[ . 1- .+ 2]"
1 65 LEU 2.800 0.220 1 0 "[ . 1 . 2]"
1 66 GLU 8.853 0.577 5 5 "[ + * *1 -*. 2]"
1 67 LEU 11.582 0.539 7 3 "[ . + 1 -*. 2]"
1 68 LEU 6.808 0.406 9 0 "[ . 1 . 2]"
1 69 ASN 1.619 0.285 19 0 "[ . 1 . 2]"
1 70 LYS 13.489 0.994 10 4 "[*- . + * . 2]"
1 71 THR 3.992 0.291 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 1 ASN H1 1 1 ASN HA 2.489 . 3.264 2.649 2.372 2.966 . 0 0 "[ . 1 . 2]" 1
2 1 1 ASN HA 1 1 ASN QB 2.008 . 2.512 2.292 2.179 2.409 . 0 0 "[ . 1 . 2]" 1
3 1 1 ASN HA 1 4 CYS H 2.637 . 3.506 3.485 3.310 3.565 0.059 9 0 "[ . 1 . 2]" 1
4 1 1 ASN HA 1 4 CYS QB 2.621 . 3.479 2.835 2.589 3.137 . 0 0 "[ . 1 . 2]" 1
5 1 1 ASN HA 1 14 TYR QE 3.882 . 5.766 4.806 3.676 5.346 . 0 0 "[ . 1 . 2]" 1
6 1 1 ASN QB 1 14 TYR QE 3.621 . 5.260 4.414 2.600 5.337 0.077 12 0 "[ . 1 . 2]" 1
7 1 2 ASP HA 1 2 ASP HB2 2.215 . 2.828 2.741 2.426 3.030 0.202 12 0 "[ . 1 . 2]" 1
8 1 2 ASP HA 1 3 ILE H 2.704 . 3.618 3.541 3.519 3.581 . 0 0 "[ . 1 . 2]" 1
9 1 2 ASP HA 1 5 LEU H 2.908 . 3.965 3.470 3.141 3.816 . 0 0 "[ . 1 . 2]" 1
10 1 2 ASP HA 1 5 LEU HB2 2.771 . 3.731 3.192 2.706 3.615 . 0 0 "[ . 1 . 2]" 1
11 1 2 ASP HA 1 5 LEU HB3 2.630 . 3.494 2.663 2.243 2.905 . 0 0 "[ . 1 . 2]" 1
12 1 2 ASP HA 1 5 LEU QD 2.394 . 3.110 3.129 2.884 3.197 0.087 19 0 "[ . 1 . 2]" 1
13 1 2 ASP HA 1 6 ARG H 3.183 . 4.449 3.862 3.562 4.238 . 0 0 "[ . 1 . 2]" 1
14 1 2 ASP HB2 1 3 ILE H 2.772 . 3.733 3.195 2.420 3.831 0.098 14 0 "[ . 1 . 2]" 1
15 1 3 ILE H 1 3 ILE HA 2.326 . 3.002 2.801 2.766 2.828 . 0 0 "[ . 1 . 2]" 1
16 1 3 ILE H 1 3 ILE HB 2.213 . 2.825 2.455 2.421 2.489 . 0 0 "[ . 1 . 2]" 1
17 1 3 ILE H 1 3 ILE MD 2.689 . 3.593 1.765 1.740 1.804 0.045 8 0 "[ . 1 . 2]" 1
18 1 3 ILE H 1 3 ILE HG12 2.891 . 3.936 3.862 3.821 3.922 . 0 0 "[ . 1 . 2]" 1
19 1 3 ILE H 1 3 ILE HG13 2.541 . 3.348 3.423 3.391 3.467 0.119 9 0 "[ . 1 . 2]" 1
20 1 3 ILE HA 1 3 ILE HB 2.504 . 3.288 3.016 3.012 3.019 . 0 0 "[ . 1 . 2]" 1
21 1 3 ILE HA 1 3 ILE MD 2.172 . 2.762 2.871 2.844 2.907 0.145 3 0 "[ . 1 . 2]" 1
22 1 3 ILE HA 1 3 ILE HG12 2.661 . 3.546 3.602 3.576 3.629 0.083 11 0 "[ . 1 . 2]" 1
23 1 3 ILE HA 1 3 ILE HG13 2.339 . 3.023 2.331 2.288 2.377 . 0 0 "[ . 1 . 2]" 1
24 1 3 ILE HA 1 4 CYS H 3.299 . 4.659 3.518 3.492 3.548 . 0 0 "[ . 1 . 2]" 1
25 1 3 ILE HA 1 6 ARG H 2.934 . 4.010 3.598 3.228 3.869 . 0 0 "[ . 1 . 2]" 1
26 1 3 ILE HA 1 6 ARG HB2 2.624 . 3.485 3.560 2.942 4.007 0.522 15 2 "[ . 1 + - 2]" 1
27 1 3 ILE HA 1 7 LYS H 3.475 . 4.984 4.245 4.054 4.451 . 0 0 "[ . 1 . 2]" 1
28 1 3 ILE HB 1 3 ILE MD 2.106 . 2.660 2.356 2.334 2.376 . 0 0 "[ . 1 . 2]" 1
29 1 3 ILE HB 1 4 CYS H 2.699 . 3.609 2.695 2.438 2.841 . 0 0 "[ . 1 . 2]" 1
30 1 3 ILE HB 1 68 LEU QD 4.914 . 7.932 2.719 2.282 4.049 . 0 0 "[ . 1 . 2]" 1
31 1 3 ILE MD 1 3 ILE HG12 2.184 . 2.780 2.114 2.113 2.116 . 0 0 "[ . 1 . 2]" 1
32 1 3 ILE MD 1 3 ILE HG13 2.168 . 2.755 2.109 2.107 2.112 . 0 0 "[ . 1 . 2]" 1
33 1 3 ILE MD 1 4 CYS H 2.822 . 3.817 3.842 3.744 3.882 0.065 14 0 "[ . 1 . 2]" 1
34 1 3 ILE MD 1 5 LEU H 3.396 . 4.838 4.881 4.682 4.929 0.091 12 0 "[ . 1 . 2]" 1
35 1 3 ILE HG13 1 4 CYS H 3.090 . 4.283 4.262 4.058 4.357 0.074 13 0 "[ . 1 . 2]" 1
36 1 4 CYS H 1 4 CYS HA 2.911 . 3.970 2.834 2.762 2.867 . 0 0 "[ . 1 . 2]" 1
37 1 4 CYS H 1 4 CYS QB 2.663 . 3.550 2.334 2.216 2.647 . 0 0 "[ . 1 . 2]" 1
38 1 4 CYS H 1 5 LEU H 2.672 . 3.565 2.522 2.392 2.719 . 0 0 "[ . 1 . 2]" 1
39 1 4 CYS H 1 5 LEU HB3 3.337 . 4.729 4.730 4.620 4.846 0.117 11 0 "[ . 1 . 2]" 1
40 1 4 CYS H 1 7 LYS HB2 3.914 . 5.829 4.734 4.478 4.924 . 0 0 "[ . 1 . 2]" 1
41 1 4 CYS H 1 68 LEU QD 3.263 . 4.594 3.552 3.029 4.513 . 0 0 "[ . 1 . 2]" 1
42 1 4 CYS HA 1 5 LEU H 3.087 . 4.278 3.501 3.482 3.515 . 0 0 "[ . 1 . 2]" 1
43 1 4 CYS HA 1 9 TRP H 3.313 . 4.685 4.219 3.772 4.549 . 0 0 "[ . 1 . 2]" 1
44 1 4 CYS HA 1 9 TRP HE3 2.663 . 3.550 2.099 1.887 2.591 . 0 0 "[ . 1 . 2]" 1
45 1 4 CYS QB 1 5 LEU H 2.802 . 3.783 2.494 2.385 2.576 . 0 0 "[ . 1 . 2]" 1
46 1 4 CYS QB 1 11 MET ME 3.396 . 4.838 3.646 3.097 4.736 . 0 0 "[ . 1 . 2]" 1
47 1 5 LEU H 1 5 LEU HA 2.276 . 2.923 2.807 2.800 2.814 . 0 0 "[ . 1 . 2]" 1
48 1 5 LEU H 1 5 LEU HB2 2.188 . 2.787 2.334 2.114 2.431 . 0 0 "[ . 1 . 2]" 1
49 1 5 LEU H 1 5 LEU HB3 2.360 . 3.056 2.563 2.430 2.755 . 0 0 "[ . 1 . 2]" 1
50 1 5 LEU H 1 5 LEU QD 2.937 . 4.015 3.648 3.619 3.714 . 0 0 "[ . 1 . 2]" 1
51 1 5 LEU H 1 11 MET ME 3.658 . 5.331 4.025 3.404 4.554 . 0 0 "[ . 1 . 2]" 1
52 1 5 LEU HA 1 5 LEU HB2 1.946 . 2.419 2.495 2.440 2.598 0.179 17 0 "[ . 1 . 2]" 1
53 1 5 LEU HA 1 5 LEU HB3 2.319 . 2.991 3.005 2.981 3.012 0.021 12 0 "[ . 1 . 2]" 1
54 1 5 LEU HA 1 5 LEU QD 1.961 . 2.441 2.127 2.000 2.604 0.163 11 0 "[ . 1 . 2]" 1
55 1 5 LEU HA 1 6 ARG H 2.979 . 4.088 3.538 3.511 3.562 . 0 0 "[ . 1 . 2]" 1
56 1 5 LEU HA 1 7 LYS H 3.727 . 5.463 4.294 4.186 4.369 . 0 0 "[ . 1 . 2]" 1
57 1 5 LEU HA 1 9 TRP H 3.063 . 4.236 3.645 3.301 4.043 . 0 0 "[ . 1 . 2]" 1
58 1 5 LEU HB2 1 6 ARG H 2.579 . 3.410 3.597 3.510 3.661 0.251 14 0 "[ . 1 . 2]" 1
59 1 5 LEU HB2 1 11 MET ME 2.245 . 2.875 2.892 2.439 2.969 0.094 18 0 "[ . 1 . 2]" 1
60 1 5 LEU HB3 1 5 LEU QD 2.157 . 2.739 2.223 2.115 2.269 . 0 0 "[ . 1 . 2]" 1
61 1 5 LEU HB3 1 6 ARG H 2.120 . 2.682 2.307 2.184 2.533 . 0 0 "[ . 1 . 2]" 1
62 1 5 LEU QD 1 6 ARG H 3.063 . 4.236 3.711 3.444 3.874 . 0 0 "[ . 1 . 2]" 1
63 1 5 LEU QD 1 8 ASN H 3.652 . 5.319 3.974 3.670 4.132 . 0 0 "[ . 1 . 2]" 1
64 1 5 LEU MD1 1 11 MET ME 2.188 . 2.786 2.289 1.957 2.865 0.079 11 0 "[ . 1 . 2]" 1
65 1 6 ARG H 1 6 ARG HA 2.220 . 2.836 2.793 2.758 2.827 . 0 0 "[ . 1 . 2]" 1
66 1 6 ARG H 1 6 ARG HB2 2.482 . 3.252 2.383 2.192 2.592 . 0 0 "[ . 1 . 2]" 1
67 1 6 ARG H 1 6 ARG HB3 2.430 . 3.168 2.584 2.358 2.789 . 0 0 "[ . 1 . 2]" 1
68 1 6 ARG H 1 6 ARG QD 3.335 . 4.725 4.443 3.846 4.768 0.043 11 0 "[ . 1 . 2]" 1
69 1 6 ARG H 1 6 ARG QG 5.137 . 8.436 3.954 3.887 4.047 . 0 0 "[ . 1 . 2]" 1
70 1 6 ARG H 1 7 LYS H 2.414 . 3.142 2.691 2.600 2.781 . 0 0 "[ . 1 . 2]" 1
71 1 6 ARG H 1 7 LYS HB2 3.256 . 4.581 4.628 4.585 4.677 0.096 11 0 "[ . 1 . 2]" 1
72 1 6 ARG H 1 8 ASN H 3.245 . 4.561 4.075 3.944 4.207 . 0 0 "[ . 1 . 2]" 1
73 1 6 ARG HA 1 6 ARG HB2 2.510 . 3.298 2.497 2.389 2.612 . 0 0 "[ . 1 . 2]" 1
74 1 6 ARG HA 1 6 ARG HB3 2.484 . 3.255 3.015 2.993 3.024 . 0 0 "[ . 1 . 2]" 1
75 1 6 ARG HA 1 6 ARG QG 2.048 . 2.572 2.499 2.333 2.757 0.185 17 0 "[ . 1 . 2]" 1
76 1 6 ARG HA 1 7 LYS H 2.670 . 3.561 3.506 3.474 3.532 . 0 0 "[ . 1 . 2]" 1
77 1 6 ARG HA 1 8 ASN H 2.911 . 3.970 3.480 3.377 3.657 . 0 0 "[ . 1 . 2]" 1
78 1 6 ARG HB3 1 7 LYS H 2.833 . 3.837 2.717 2.543 2.863 . 0 0 "[ . 1 . 2]" 1
79 1 6 ARG QD 1 6 ARG HG2 2.248 . 2.879 2.160 2.011 2.304 . 0 0 "[ . 1 . 2]" 1
80 1 6 ARG QG 1 7 LYS H 2.974 . 4.080 3.850 3.463 4.123 0.043 13 0 "[ . 1 . 2]" 1
81 1 6 ARG QG 1 8 ASN H 3.343 . 4.740 4.606 4.435 4.793 0.053 4 0 "[ . 1 . 2]" 1
82 1 7 LYS H 1 7 LYS HA 2.284 . 2.936 2.852 2.845 2.863 . 0 0 "[ . 1 . 2]" 1
83 1 7 LYS H 1 7 LYS HB2 2.291 . 2.947 2.191 2.058 2.306 . 0 0 "[ . 1 . 2]" 1
84 1 7 LYS H 1 7 LYS QD 3.952 . 5.904 3.889 3.592 4.215 . 0 0 "[ . 1 . 2]" 1
85 1 7 LYS H 1 7 LYS QD 2.641 . 3.513 2.770 2.442 3.280 . 0 0 "[ . 1 . 2]" 1
86 1 7 LYS H 1 8 ASN HA 3.374 . 4.797 4.805 4.723 4.868 0.071 7 0 "[ . 1 . 2]" 1
87 1 7 LYS H 1 9 TRP H 3.395 . 4.836 3.696 3.539 4.000 . 0 0 "[ . 1 . 2]" 1
88 1 7 LYS HA 1 7 LYS HB3 2.681 . 3.579 2.633 2.540 2.788 . 0 0 "[ . 1 . 2]" 1
89 1 7 LYS HA 1 7 LYS QD 2.203 . 2.809 1.836 1.741 1.952 . 0 0 "[ . 1 . 2]" 1
90 1 7 LYS HA 1 7 LYS HG3 3.218 . 4.513 3.631 3.581 3.680 . 0 0 "[ . 1 . 2]" 1
91 1 7 LYS HA 1 8 ASN H 2.757 . 3.707 3.198 3.140 3.222 . 0 0 "[ . 1 . 2]" 1
92 1 7 LYS HA 1 9 TRP HE1 3.809 . 5.622 5.573 5.412 5.701 0.079 9 0 "[ . 1 . 2]" 1
93 1 7 LYS HB2 1 7 LYS HG2 2.679 . 3.576 2.449 2.415 2.489 . 0 0 "[ . 1 . 2]" 1
94 1 7 LYS HB2 1 8 ASN H 2.841 . 3.850 3.616 3.465 3.793 . 0 0 "[ . 1 . 2]" 1
95 1 7 LYS HB2 1 9 TRP H 2.883 . 3.922 3.394 3.077 3.713 . 0 0 "[ . 1 . 2]" 1
96 1 7 LYS HB2 1 9 TRP HD1 3.656 . 5.327 5.012 4.633 5.358 0.031 8 0 "[ . 1 . 2]" 1
97 1 7 LYS HB2 1 9 TRP HE3 3.516 . 5.061 3.349 3.099 3.530 . 0 0 "[ . 1 . 2]" 1
98 1 7 LYS HB2 1 9 TRP HH2 3.945 . 5.891 4.693 4.384 4.930 . 0 0 "[ . 1 . 2]" 1
99 1 7 LYS HB2 1 9 TRP HZ2 3.511 . 5.052 4.772 4.510 5.068 0.016 16 0 "[ . 1 . 2]" 1
100 1 7 LYS HB2 1 9 TRP HZ3 3.855 . 5.712 4.043 3.813 4.305 . 0 0 "[ . 1 . 2]" 1
101 1 7 LYS HB3 1 7 LYS HG2 2.652 . 3.531 3.009 3.006 3.011 . 0 0 "[ . 1 . 2]" 1
102 1 7 LYS HB3 1 9 TRP HD1 3.427 . 4.895 4.083 3.747 4.319 . 0 0 "[ . 1 . 2]" 1
103 1 7 LYS HB3 1 9 TRP HE1 2.891 . 3.936 3.465 3.318 3.634 . 0 0 "[ . 1 . 2]" 1
104 1 7 LYS HB3 1 9 TRP HE3 3.811 . 5.626 4.102 3.733 4.419 . 0 0 "[ . 1 . 2]" 1
105 1 7 LYS HB3 1 9 TRP HH2 3.286 . 4.636 4.416 4.157 4.645 0.009 12 0 "[ . 1 . 2]" 1
106 1 7 LYS QD 1 7 LYS HE2 2.630 . 2.936 2.337 2.164 2.396 . 0 0 "[ . 1 . 2]" 1
107 1 7 LYS QD 1 9 TRP HE1 3.516 . 5.061 4.083 3.186 4.810 . 0 0 "[ . 1 . 2]" 1
108 1 7 LYS QD 1 7 LYS HG3 2.305 . 2.969 2.388 2.321 2.448 . 0 0 "[ . 1 . 2]" 1
109 1 7 LYS QD 1 8 ASN H 3.405 . 4.854 4.732 4.648 4.773 . 0 0 "[ . 1 . 2]" 1
110 1 7 LYS QD 1 9 TRP HE1 4.277 . 6.564 4.509 3.228 5.558 . 0 0 "[ . 1 . 2]" 1
111 1 7 LYS QD 1 9 TRP HE3 3.751 . 5.509 4.908 4.685 5.077 . 0 0 "[ . 1 . 2]" 1
112 1 7 LYS QD 1 9 TRP HH2 3.582 . 5.186 4.463 3.846 4.944 . 0 0 "[ . 1 . 2]" 1
113 1 7 LYS QD 1 9 TRP HZ3 3.477 . 4.989 4.455 4.260 4.630 . 0 0 "[ . 1 . 2]" 1
114 1 7 LYS HE2 1 7 LYS HG3 2.653 . 3.533 2.740 2.312 3.679 0.146 3 0 "[ . 1 . 2]" 1
115 1 7 LYS HE2 1 9 TRP HZ2 3.449 . 4.936 3.827 2.657 5.023 0.087 20 0 "[ . 1 . 2]" 1
116 1 7 LYS HE3 1 7 LYS HG3 2.745 . 3.687 2.937 2.294 3.710 0.023 15 0 "[ . 1 . 2]" 1
117 1 7 LYS HE3 1 9 TRP HE1 3.826 . 5.656 4.869 3.347 6.456 0.800 3 1 "[ + . 1 . 2]" 1
118 1 7 LYS HE3 1 9 TRP HH2 3.614 . 5.247 4.281 3.197 5.681 0.434 4 0 "[ . 1 . 2]" 1
119 1 7 LYS HE3 1 9 TRP HZ2 3.496 . 5.024 3.619 2.783 4.910 . 0 0 "[ . 1 . 2]" 1
120 1 7 LYS HG2 1 9 TRP HZ2 3.744 . 5.497 5.221 4.867 5.530 0.033 2 0 "[ . 1 . 2]" 1
121 1 7 LYS HG3 1 9 TRP HH2 3.966 . 5.932 3.078 2.686 3.320 . 0 0 "[ . 1 . 2]" 1
122 1 8 ASN H 1 8 ASN HA 1.920 . 2.381 2.254 2.224 2.266 . 0 0 "[ . 1 . 2]" 1
123 1 8 ASN H 1 8 ASN HB2 2.698 . 3.608 3.206 3.079 3.579 . 0 0 "[ . 1 . 2]" 1
124 1 8 ASN H 1 8 ASN HB3 2.706 . 3.621 3.721 3.636 4.021 0.400 16 0 "[ . 1 . 2]" 1
125 1 8 ASN H 1 9 TRP H 2.364 . 3.062 2.556 2.439 2.684 . 0 0 "[ . 1 . 2]" 1
126 1 8 ASN H 1 9 TRP HA 3.966 . 5.932 5.208 5.126 5.305 . 0 0 "[ . 1 . 2]" 1
127 1 8 ASN HA 1 8 ASN HB2 2.180 . 2.774 2.592 2.503 3.019 0.245 15 0 "[ . 1 . 2]" 1
128 1 8 ASN HA 1 9 TRP H 2.326 . 3.002 2.880 2.623 3.014 0.012 10 0 "[ . 1 . 2]" 1
129 1 8 ASN HA 1 9 TRP HD1 3.893 . 5.788 5.471 5.254 5.770 . 0 0 "[ . 1 . 2]" 1
130 1 8 ASN HB3 1 9 TRP HD1 3.921 . 5.843 4.508 4.083 5.610 . 0 0 "[ . 1 . 2]" 1
131 1 9 TRP H 1 9 TRP HA 2.667 . 3.556 2.925 2.902 2.947 . 0 0 "[ . 1 . 2]" 1
132 1 9 TRP H 1 9 TRP HB2 2.418 . 3.149 2.476 2.424 2.545 . 0 0 "[ . 1 . 2]" 1
133 1 9 TRP HA 1 9 TRP HB2 2.534 . 3.337 3.028 3.025 3.031 . 0 0 "[ . 1 . 2]" 1
134 1 9 TRP HA 1 9 TRP HB3 2.368 . 3.069 2.483 2.448 2.507 . 0 0 "[ . 1 . 2]" 1
135 1 9 TRP HA 1 9 TRP HD1 2.231 . 2.853 2.340 2.255 2.409 . 0 0 "[ . 1 . 2]" 1
136 1 9 TRP HA 1 9 TRP HE1 3.529 . 5.086 4.851 4.765 4.918 . 0 0 "[ . 1 . 2]" 1
137 1 9 TRP HA 1 10 PRO HD2 2.296 . 2.955 2.473 2.365 2.796 . 0 0 "[ . 1 . 2]" 1
138 1 9 TRP HA 1 10 PRO HD3 1.959 . 2.439 2.415 2.025 2.509 0.070 6 0 "[ . 1 . 2]" 1
139 1 9 TRP HA 1 10 PRO QG 3.042 . 4.198 4.070 3.851 4.148 . 0 0 "[ . 1 . 2]" 1
140 1 9 TRP HB2 1 9 TRP HD1 3.231 . 4.536 3.834 3.798 3.865 . 0 0 "[ . 1 . 2]" 1
141 1 9 TRP HB2 1 9 TRP HE3 2.865 . 3.891 2.489 2.397 2.540 . 0 0 "[ . 1 . 2]" 1
142 1 9 TRP HB3 1 9 TRP HD1 3.047 . 4.207 3.341 3.253 3.427 . 0 0 "[ . 1 . 2]" 1
143 1 9 TRP HB3 1 9 TRP HE3 3.027 . 4.172 3.329 3.185 3.420 . 0 0 "[ . 1 . 2]" 1
144 1 9 TRP HB3 1 10 PRO HD2 2.779 . 3.744 2.017 1.884 2.432 . 0 0 "[ . 1 . 2]" 1
145 1 9 TRP HD1 1 10 PRO HD2 3.137 . 4.367 3.818 3.571 4.407 0.040 10 0 "[ . 1 . 2]" 1
146 1 9 TRP HD1 1 10 PRO HD3 3.017 . 4.155 4.151 3.870 4.214 0.059 1 0 "[ . 1 . 2]" 1
147 1 9 TRP HD1 1 10 PRO QG 3.645 . 5.306 5.169 4.580 5.339 0.033 15 0 "[ . 1 . 2]" 1
148 1 9 TRP HD1 1 34 VAL MG1 3.773 . 5.553 5.153 4.914 5.344 . 0 0 "[ . 1 . 2]" 1
149 1 9 TRP HD1 1 37 SER HA 3.246 . 4.563 4.183 3.935 4.530 . 0 0 "[ . 1 . 2]" 1
150 1 9 TRP HD1 1 37 SER QB 2.654 . 3.534 2.408 2.046 3.538 0.004 13 0 "[ . 1 . 2]" 1
151 1 9 TRP HE1 1 39 ARG H 4.057 . 6.114 4.713 4.635 4.791 . 0 0 "[ . 1 . 2]" 1
152 1 9 TRP HE1 1 36 THR HA 2.842 . 3.852 3.094 2.821 3.324 . 0 0 "[ . 1 . 2]" 1
153 1 9 TRP HE1 1 36 THR HB 3.215 . 4.507 4.314 3.903 4.565 0.058 19 0 "[ . 1 . 2]" 1
154 1 9 TRP HE1 1 36 THR MG 3.512 . 5.054 4.257 3.963 4.564 . 0 0 "[ . 1 . 2]" 1
155 1 9 TRP HE1 1 37 SER H 2.435 . 3.176 1.991 1.791 2.373 . 0 0 "[ . 1 . 2]" 1
156 1 9 TRP HE1 1 37 SER QB 2.844 . 3.855 2.475 2.259 2.687 . 0 0 "[ . 1 . 2]" 1
157 1 9 TRP HE1 1 38 ASP H 3.740 . 5.489 3.727 3.194 3.926 . 0 0 "[ . 1 . 2]" 1
158 1 9 TRP HE3 1 10 PRO HD2 4.148 . 6.299 5.310 5.153 5.647 . 0 0 "[ . 1 . 2]" 1
159 1 9 TRP HE3 1 10 PRO QG 3.794 . 5.594 5.442 4.887 5.747 0.153 10 0 "[ . 1 . 2]" 1
160 1 9 TRP HE3 1 34 VAL MG1 2.389 . 3.103 2.126 1.941 2.302 . 0 0 "[ . 1 . 2]" 1
161 1 9 TRP HE3 1 34 VAL MG2 2.939 . 4.019 3.945 3.755 4.070 0.051 19 0 "[ . 1 . 2]" 1
162 1 9 TRP HE3 1 36 THR MG 3.251 . 4.572 4.277 3.920 4.516 . 0 0 "[ . 1 . 2]" 1
163 1 9 TRP HE3 1 68 LEU QD 3.068 . 4.244 3.277 2.926 3.934 . 0 0 "[ . 1 . 2]" 1
164 1 9 TRP HH2 1 34 VAL HB 3.699 . 5.409 5.447 5.292 5.525 0.116 14 0 "[ . 1 . 2]" 1
165 1 9 TRP HH2 1 34 VAL MG1 3.251 . 4.572 4.114 3.645 4.458 . 0 0 "[ . 1 . 2]" 1
166 1 9 TRP HH2 1 34 VAL MG2 3.806 . 5.617 5.445 5.194 5.620 0.003 14 0 "[ . 1 . 2]" 1
167 1 9 TRP HH2 1 36 THR HB 3.901 . 5.803 4.623 4.286 4.917 . 0 0 "[ . 1 . 2]" 1
168 1 9 TRP HH2 1 36 THR MG 2.991 . 4.109 2.635 2.448 2.838 . 0 0 "[ . 1 . 2]" 1
169 1 9 TRP HH2 1 68 LEU HB3 3.755 . 5.517 4.089 2.780 5.003 . 0 0 "[ . 1 . 2]" 1
170 1 9 TRP HH2 1 68 LEU QD 2.606 . 3.455 2.678 2.117 2.891 . 0 0 "[ . 1 . 2]" 1
171 1 9 TRP HH2 1 68 LEU HG 3.994 . 5.988 2.881 2.108 5.436 . 0 0 "[ . 1 . 2]" 1
172 1 9 TRP HZ2 1 36 THR HB 2.567 . 3.391 3.459 3.418 3.500 0.109 18 0 "[ . 1 . 2]" 1
173 1 9 TRP HZ2 1 36 THR MG 2.826 . 3.824 2.762 2.577 3.022 . 0 0 "[ . 1 . 2]" 1
174 1 9 TRP HZ2 1 68 LEU QD 3.234 . 4.542 4.427 4.114 4.540 . 0 0 "[ . 1 . 2]" 1
175 1 9 TRP HZ3 1 34 VAL MG1 2.759 . 3.710 2.532 2.168 2.752 . 0 0 "[ . 1 . 2]" 1
176 1 9 TRP HZ3 1 34 VAL MG2 3.178 . 4.440 3.762 3.557 3.907 . 0 0 "[ . 1 . 2]" 1
177 1 9 TRP HZ3 1 36 THR MG 3.159 . 4.406 3.520 3.182 3.770 . 0 0 "[ . 1 . 2]" 1
178 1 9 TRP HZ3 1 68 LEU HA 4.005 . 6.010 4.208 3.730 4.540 . 0 0 "[ . 1 . 2]" 1
179 1 9 TRP HZ3 1 68 LEU QD 2.468 . 3.230 1.983 1.712 2.541 . 0 0 "[ . 1 . 2]" 1
180 1 10 PRO HA 1 10 PRO HB2 2.110 . 2.666 2.722 2.680 2.926 0.260 10 0 "[ . 1 . 2]" 1
181 1 10 PRO HA 1 10 PRO HB3 2.100 . 2.651 2.294 2.250 2.329 . 0 0 "[ . 1 . 2]" 1
182 1 10 PRO HA 1 10 PRO QG 2.580 . 3.412 3.461 2.865 3.505 0.093 15 0 "[ . 1 . 2]" 1
183 1 10 PRO HA 1 11 MET H 2.228 . 2.849 2.607 2.413 2.718 . 0 0 "[ . 1 . 2]" 1
184 1 10 PRO HB2 1 10 PRO QG 2.094 . 2.642 2.179 2.139 2.232 . 0 0 "[ . 1 . 2]" 1
185 1 10 PRO HB2 1 11 MET H 2.729 . 3.660 2.298 2.038 2.743 . 0 0 "[ . 1 . 2]" 1
186 1 10 PRO HB3 1 10 PRO HD3 2.577 . 3.407 3.097 2.947 4.054 0.647 10 1 "[ . + . 2]" 1
187 1 10 PRO HB3 1 11 MET H 2.897 . 3.946 3.289 2.550 3.649 . 0 0 "[ . 1 . 2]" 1
188 1 10 PRO HD2 1 10 PRO QG 3.570 . 5.163 2.184 2.170 2.262 . 0 0 "[ . 1 . 2]" 1
189 1 10 PRO HD3 1 10 PRO QG 3.711 . 5.432 2.226 2.172 2.239 . 0 0 "[ . 1 . 2]" 1
190 1 10 PRO HD3 1 11 MET H 3.401 . 4.847 4.379 4.280 4.619 . 0 0 "[ . 1 . 2]" 1
191 1 10 PRO QG 1 11 MET H 2.915 . 3.977 3.916 3.714 4.173 0.196 10 0 "[ . 1 . 2]" 1
192 1 10 PRO QG 1 41 TRP HH2 3.499 . 5.029 4.146 3.828 4.803 . 0 0 "[ . 1 . 2]" 1
193 1 10 PRO QG 1 41 TRP HZ2 3.574 . 5.171 4.441 3.727 5.220 0.049 4 0 "[ . 1 . 2]" 1
194 1 10 PRO QG 1 41 TRP HZ3 3.983 . 5.966 4.180 3.867 4.969 . 0 0 "[ . 1 . 2]" 1
195 1 11 MET H 1 11 MET HA 2.889 . 3.933 2.859 2.800 2.882 . 0 0 "[ . 1 . 2]" 1
196 1 11 MET H 1 11 MET HB2 2.274 . 2.921 2.484 2.372 2.645 . 0 0 "[ . 1 . 2]" 1
197 1 11 MET H 1 11 MET HG2 2.403 . 3.125 2.214 1.972 2.394 . 0 0 "[ . 1 . 2]" 1
198 1 11 MET H 1 11 MET HG3 2.533 . 3.335 3.465 3.406 3.566 0.231 10 0 "[ . 1 . 2]" 1
199 1 11 MET HA 1 11 MET HB3 2.880 . 3.917 2.445 2.369 2.488 . 0 0 "[ . 1 . 2]" 1
200 1 11 MET HA 1 11 MET ME 2.996 . 4.118 2.121 1.832 3.940 0.042 2 0 "[ . 1 . 2]" 1
201 1 11 MET HA 1 11 MET HG2 4.754 . 7.579 2.948 2.768 3.368 . 0 0 "[ . 1 . 2]" 1
202 1 11 MET HA 1 12 PRO HD2 2.371 . 3.074 2.622 1.903 2.969 . 0 0 "[ . 1 . 2]" 1
203 1 11 MET HA 1 12 PRO HD3 2.310 . 2.977 1.917 1.799 2.402 . 0 0 "[ . 1 . 2]" 1
204 1 11 MET HB2 1 11 MET HG2 2.272 . 2.917 2.536 2.365 2.629 . 0 0 "[ . 1 . 2]" 1
205 1 11 MET HB2 1 11 MET HG3 2.219 . 2.834 2.327 2.260 2.477 . 0 0 "[ . 1 . 2]" 1
206 1 11 MET HB3 1 11 MET HG2 2.422 . 3.155 2.991 2.971 3.006 . 0 0 "[ . 1 . 2]" 1
207 1 11 MET HB3 1 11 MET HG3 2.230 . 2.852 2.535 2.369 2.628 . 0 0 "[ . 1 . 2]" 1
208 1 11 MET ME 1 11 MET HG2 2.386 . 3.097 2.458 2.317 3.369 0.272 3 0 "[ . 1 . 2]" 1
209 1 11 MET ME 1 14 TYR QD 3.994 . 5.988 5.868 5.383 6.053 0.065 10 0 "[ . 1 . 2]" 1
210 1 12 PRO HA 1 12 PRO HB2 2.372 . 3.075 2.899 2.768 2.978 . 0 0 "[ . 1 . 2]" 1
211 1 12 PRO HA 1 12 PRO HB3 2.615 . 3.470 2.260 2.237 2.300 . 0 0 "[ . 1 . 2]" 1
212 1 12 PRO HA 1 13 SER H 2.004 . 2.506 2.295 2.213 2.349 . 0 0 "[ . 1 . 2]" 1
213 1 12 PRO HA 1 14 TYR QE 3.682 . 5.377 4.413 4.167 4.582 . 0 0 "[ . 1 . 2]" 1
214 1 12 PRO HA 1 34 VAL HA 2.467 . 3.228 2.661 2.467 2.805 . 0 0 "[ . 1 . 2]" 1
215 1 12 PRO HA 1 34 VAL QG 2.376 . 3.081 3.124 2.968 3.191 0.110 20 0 "[ . 1 . 2]" 1
216 1 12 PRO HB2 1 13 SER H 2.783 . 3.751 3.050 2.769 3.270 . 0 0 "[ . 1 . 2]" 1
217 1 12 PRO HB2 1 14 TYR H 3.479 . 4.992 3.874 3.604 4.456 . 0 0 "[ . 1 . 2]" 1
218 1 12 PRO HB2 1 14 TYR QD 2.603 . 3.450 3.305 3.118 3.564 0.114 11 0 "[ . 1 . 2]" 1
219 1 12 PRO HB2 1 14 TYR QE 3.706 . 5.423 2.335 2.057 2.925 . 0 0 "[ . 1 . 2]" 1
220 1 12 PRO HB2 1 14 TYR QE 2.544 . 3.353 2.151 1.815 2.530 . 0 0 "[ . 1 . 2]" 1
221 1 12 PRO HB2 1 32 VAL QG 2.514 . 3.304 2.851 2.246 3.107 . 0 0 "[ . 1 . 2]" 1
222 1 12 PRO HB2 1 34 VAL MG2 2.816 . 3.807 3.299 3.094 3.439 . 0 0 "[ . 1 . 2]" 1
223 1 12 PRO HB2 1 41 TRP HH2 3.580 . 5.182 5.309 5.237 5.946 0.764 15 1 "[ . 1 + 2]" 1
224 1 12 PRO HB3 1 12 PRO HD3 3.000 . 4.125 3.875 3.018 4.058 . 0 0 "[ . 1 . 2]" 1
225 1 12 PRO HB3 1 12 PRO HG2 2.957 . 4.050 2.742 2.651 2.979 . 0 0 "[ . 1 . 2]" 1
226 1 12 PRO HB3 1 13 SER H 3.012 . 4.146 2.989 2.775 3.386 . 0 0 "[ . 1 . 2]" 1
227 1 12 PRO HB3 1 14 TYR QD 3.076 . 4.259 3.962 3.057 4.280 0.021 19 0 "[ . 1 . 2]" 1
228 1 12 PRO HB3 1 32 VAL QG 2.601 . 3.446 3.136 2.907 3.493 0.047 18 0 "[ . 1 . 2]" 1
229 1 12 PRO QD 1 14 TYR QE 3.500 . 5.031 2.730 2.191 3.864 . 0 0 "[ . 1 . 2]" 1
230 1 12 PRO HD2 1 12 PRO HG2 2.505 . 3.290 2.306 2.284 2.318 . 0 0 "[ . 1 . 2]" 1
231 1 13 SER H 1 13 SER HA 2.780 . 3.746 2.904 2.889 2.914 . 0 0 "[ . 1 . 2]" 1
232 1 13 SER H 1 13 SER HB2 2.400 . 3.120 2.612 2.567 2.690 . 0 0 "[ . 1 . 2]" 1
233 1 13 SER H 1 13 SER HB3 2.414 . 3.142 2.540 2.453 2.627 . 0 0 "[ . 1 . 2]" 1
234 1 13 SER H 1 14 TYR H 3.433 . 4.906 4.587 4.563 4.620 . 0 0 "[ . 1 . 2]" 1
235 1 13 SER H 1 32 VAL HA 3.748 . 5.504 5.002 4.805 5.210 . 0 0 "[ . 1 . 2]" 1
236 1 13 SER H 1 32 VAL QG 3.039 . 4.193 3.633 3.476 3.839 . 0 0 "[ . 1 . 2]" 1
237 1 13 SER H 1 33 ARG H 3.021 . 4.162 3.137 2.815 3.343 . 0 0 "[ . 1 . 2]" 1
238 1 13 SER H 1 34 VAL MG2 3.167 . 4.421 4.086 3.859 4.346 . 0 0 "[ . 1 . 2]" 1
239 1 13 SER H 1 41 TRP HZ3 3.666 . 5.346 2.458 2.297 2.679 . 0 0 "[ . 1 . 2]" 1
240 1 13 SER H 1 64 LEU QD 3.896 . 5.794 4.810 4.563 5.065 . 0 0 "[ . 1 . 2]" 1
241 1 13 SER HA 1 13 SER HB2 2.367 . 3.067 2.511 2.459 2.537 . 0 0 "[ . 1 . 2]" 1
242 1 13 SER HA 1 13 SER HB3 2.391 . 3.106 3.020 3.014 3.025 . 0 0 "[ . 1 . 2]" 1
243 1 13 SER HA 1 14 TYR H 2.169 . 2.757 2.259 2.226 2.309 . 0 0 "[ . 1 . 2]" 1
244 1 13 SER HA 1 15 ARG H 3.895 . 5.792 5.813 5.755 5.860 0.068 11 0 "[ . 1 . 2]" 1
245 1 13 SER HA 1 41 TRP HH2 3.899 . 5.800 3.438 3.344 3.626 . 0 0 "[ . 1 . 2]" 1
246 1 13 SER HB2 1 14 TYR H 3.006 . 4.135 4.134 4.045 4.186 0.051 6 0 "[ . 1 . 2]" 1
247 1 13 SER HB2 1 14 TYR QD 3.855 . 5.713 5.760 5.714 5.796 0.083 12 0 "[ . 1 . 2]" 1
248 1 13 SER HB2 1 30 PHE QE 3.980 . 5.960 6.127 6.068 6.176 0.216 19 0 "[ . 1 . 2]" 1
249 1 13 SER HB2 1 41 TRP HH2 3.138 . 4.369 2.313 2.119 2.848 . 0 0 "[ . 1 . 2]" 1
250 1 13 SER HB2 1 41 TRP HZ3 2.604 . 3.452 3.463 3.122 3.552 0.100 3 0 "[ . 1 . 2]" 1
251 1 13 SER HB3 1 14 TYR H 2.859 . 3.881 3.892 3.844 3.966 0.085 9 0 "[ . 1 . 2]" 1
252 1 13 SER HB3 1 30 PHE QE 3.589 . 5.200 5.304 5.204 5.364 0.164 13 0 "[ . 1 . 2]" 1
253 1 13 SER HB3 1 33 ARG H 2.965 . 4.064 2.964 2.642 3.253 . 0 0 "[ . 1 . 2]" 1
254 1 13 SER HB3 1 41 TRP HH2 3.421 . 4.884 3.611 3.415 4.042 . 0 0 "[ . 1 . 2]" 1
255 1 13 SER HB3 1 41 TRP HZ3 2.665 . 3.553 3.654 3.604 3.702 0.149 16 0 "[ . 1 . 2]" 1
256 1 14 TYR H 1 14 TYR HA 2.783 . 3.751 2.893 2.882 2.902 . 0 0 "[ . 1 . 2]" 1
257 1 14 TYR H 1 14 TYR QB 2.380 . 3.088 2.714 2.661 2.778 . 0 0 "[ . 1 . 2]" 1
258 1 14 TYR H 1 15 ARG H 3.346 . 4.746 3.955 3.884 4.001 . 0 0 "[ . 1 . 2]" 1
259 1 14 TYR H 1 15 ARG QB 3.789 . 5.583 3.972 3.654 4.702 . 0 0 "[ . 1 . 2]" 1
260 1 14 TYR H 1 33 ARG H 3.622 . 5.262 4.347 4.308 4.370 . 0 0 "[ . 1 . 2]" 1
261 1 14 TYR H 1 32 VAL HA 3.800 . 5.605 5.423 5.247 5.563 . 0 0 "[ . 1 . 2]" 1
262 1 14 TYR H 1 32 VAL QG 3.781 . 5.568 4.715 4.558 4.840 . 0 0 "[ . 1 . 2]" 1
263 1 14 TYR H 1 33 ARG H 4.269 . 6.547 5.493 5.276 5.614 . 0 0 "[ . 1 . 2]" 1
264 1 14 TYR HA 1 14 TYR QB 2.227 . 2.847 2.432 2.406 2.446 . 0 0 "[ . 1 . 2]" 1
265 1 14 TYR HA 1 14 TYR QD 2.527 . 3.326 2.965 2.911 3.033 . 0 0 "[ . 1 . 2]" 1
266 1 14 TYR HA 1 14 TYR QE 3.604 . 5.227 4.622 4.582 4.671 . 0 0 "[ . 1 . 2]" 1
267 1 14 TYR HA 1 15 ARG H 2.074 . 2.612 2.202 2.180 2.237 . 0 0 "[ . 1 . 2]" 1
268 1 14 TYR HA 1 32 VAL QG 2.610 . 3.462 3.072 2.845 3.389 . 0 0 "[ . 1 . 2]" 1
269 1 14 TYR HA 1 33 ARG H 3.314 . 4.687 4.534 4.333 4.688 0.001 14 0 "[ . 1 . 2]" 1
270 1 14 TYR QB 1 14 TYR QD 2.168 . 2.576 2.143 2.139 2.148 . 0 0 "[ . 1 . 2]" 1
271 1 14 TYR QB 1 14 TYR QE 3.177 . 4.439 3.936 3.929 3.942 . 0 0 "[ . 1 . 2]" 1
272 1 14 TYR QB 1 15 ARG H 2.717 . 3.640 3.499 3.472 3.534 . 0 0 "[ . 1 . 2]" 1
273 1 14 TYR QB 1 30 PHE QE 2.590 . 3.428 3.295 3.143 3.432 0.004 9 0 "[ . 1 . 2]" 1
274 1 14 TYR QD 1 64 LEU HB2 3.837 . 5.677 5.286 4.792 5.503 . 0 0 "[ . 1 . 2]" 1
275 1 14 TYR QD 1 32 VAL QG 3.253 . 4.576 2.767 2.606 3.051 . 0 0 "[ . 1 . 2]" 1
276 1 14 TYR QD 1 32 VAL HA 3.137 . 4.367 4.500 4.434 4.553 0.186 2 0 "[ . 1 . 2]" 1
277 1 14 TYR QD 1 32 VAL QG 2.843 . 3.853 2.878 2.691 3.125 . 0 0 "[ . 1 . 2]" 1
278 1 14 TYR QD 1 57 LYS HA 2.965 . 3.611 3.625 3.334 3.693 0.082 4 0 "[ . 1 . 2]" 1
279 1 14 TYR QD 1 57 LYS QB 3.512 . 5.054 2.974 2.361 3.569 . 0 0 "[ . 1 . 2]" 1
280 1 14 TYR QD 1 60 ALA MB 3.158 . 4.405 4.459 4.211 4.518 0.113 6 0 "[ . 1 . 2]" 1
281 1 14 TYR QD 1 64 LEU QD 3.877 . 5.756 4.852 4.600 5.099 . 0 0 "[ . 1 . 2]" 1
282 1 14 TYR QE 1 32 VAL HA 3.573 . 5.169 5.056 4.930 5.166 . 0 0 "[ . 1 . 2]" 1
283 1 14 TYR QE 1 32 VAL QG 2.625 . 3.486 2.524 2.361 2.616 . 0 0 "[ . 1 . 2]" 1
284 1 14 TYR QE 1 34 VAL MG2 3.537 . 5.101 4.753 4.385 5.047 . 0 0 "[ . 1 . 2]" 1
285 1 14 TYR QE 1 57 LYS QB 3.073 . 4.254 3.297 2.665 3.853 . 0 0 "[ . 1 . 2]" 1
286 1 14 TYR QE 1 57 LYS QG 3.625 . 5.267 4.465 3.717 4.972 . 0 0 "[ . 1 . 2]" 1
287 1 14 TYR QE 1 60 ALA MB 3.015 . 4.151 4.217 4.146 4.319 0.168 15 0 "[ . 1 . 2]" 1
288 1 14 TYR QE 1 64 LEU QD 3.184 . 4.451 3.644 3.333 4.026 . 0 0 "[ . 1 . 2]" 1
289 1 15 ARG H 1 15 ARG QB 2.905 . 3.857 2.801 2.563 3.279 . 0 0 "[ . 1 . 2]" 1
290 1 15 ARG H 1 15 ARG HG2 3.454 . 4.946 4.214 2.509 4.661 . 0 0 "[ . 1 . 2]" 1
291 1 15 ARG H 1 15 ARG HG3 3.276 . 4.617 4.415 3.047 4.878 0.261 5 0 "[ . 1 . 2]" 1
292 1 15 ARG H 1 17 VAL QG 3.625 . 5.267 4.615 4.379 4.905 . 0 0 "[ . 1 . 2]" 1
293 1 15 ARG H 1 30 PHE QB 3.198 . 4.476 4.544 4.500 4.606 0.130 8 0 "[ . 1 . 2]" 1
294 1 15 ARG H 1 31 GLY QA 3.827 . 5.658 5.170 4.980 5.256 . 0 0 "[ . 1 . 2]" 1
295 1 15 ARG H 1 32 VAL QG 3.735 . 5.479 4.334 4.139 4.862 . 0 0 "[ . 1 . 2]" 1
296 1 15 ARG HA 1 15 ARG QB 2.276 . 2.924 2.346 2.173 2.402 . 0 0 "[ . 1 . 2]" 1
297 1 15 ARG HA 1 30 PHE QD 3.576 . 5.174 3.933 3.758 4.083 . 0 0 "[ . 1 . 2]" 1
298 1 15 ARG HA 1 30 PHE QE 3.949 . 5.898 4.267 4.083 4.423 . 0 0 "[ . 1 . 2]" 1
299 1 15 ARG HA 1 31 GLY H 3.955 . 5.910 5.851 5.621 5.942 0.032 16 0 "[ . 1 . 2]" 1
300 1 15 ARG QB 1 15 ARG HD3 2.126 . 2.691 2.816 2.298 3.300 0.609 8 9 "[ ** * + 1* **. * -]" 1
301 1 15 ARG HD2 1 15 ARG HG2 2.860 . 3.882 2.646 2.399 3.016 . 0 0 "[ . 1 . 2]" 1
302 1 15 ARG HD2 1 15 ARG HG3 2.912 . 3.972 2.693 2.338 3.015 . 0 0 "[ . 1 . 2]" 1
303 1 15 ARG HD3 1 15 ARG HG2 2.311 . 2.979 2.555 2.387 3.015 0.036 19 0 "[ . 1 . 2]" 1
304 1 16 CYS HA 1 16 CYS HB2 2.560 . 3.379 2.801 2.465 3.026 . 0 0 "[ . 1 . 2]" 1
305 1 16 CYS HA 1 16 CYS HB3 2.522 . 3.317 2.525 2.355 3.024 . 0 0 "[ . 1 . 2]" 1
306 1 16 CYS HA 1 17 VAL H 2.219 . 2.835 2.137 2.123 2.169 . 0 0 "[ . 1 . 2]" 1
307 1 16 CYS HA 1 17 VAL QG 2.871 . 3.901 3.379 3.274 3.543 . 0 0 "[ . 1 . 2]" 1
308 1 16 CYS HA 1 18 LYS H 3.026 . 4.170 3.862 3.698 4.019 . 0 0 "[ . 1 . 2]" 1
309 1 16 CYS HA 1 30 PHE HA 2.419 . 3.151 2.539 2.219 3.146 . 0 0 "[ . 1 . 2]" 1
310 1 16 CYS HB3 1 17 VAL H 3.749 . 5.505 3.689 3.166 4.257 . 0 0 "[ . 1 . 2]" 1
311 1 16 CYS HB3 1 28 PHE QD 3.747 . 5.502 4.460 3.553 5.358 . 0 0 "[ . 1 . 2]" 1
312 1 17 VAL H 1 17 VAL HA 2.636 . 3.505 2.893 2.884 2.903 . 0 0 "[ . 1 . 2]" 1
313 1 17 VAL H 1 17 VAL HB 2.751 . 3.697 3.212 2.493 3.682 . 0 0 "[ . 1 . 2]" 1
314 1 17 VAL H 1 17 VAL QG 2.419 . 3.151 2.031 1.877 2.323 . 0 0 "[ . 1 . 2]" 1
315 1 17 VAL H 1 18 LYS H 2.408 . 3.133 2.334 2.268 2.396 . 0 0 "[ . 1 . 2]" 1
316 1 17 VAL H 1 18 LYS HA 4.026 . 6.052 4.958 4.924 4.985 . 0 0 "[ . 1 . 2]" 1
317 1 17 VAL H 1 29 THR HB 3.808 . 5.620 4.644 4.370 4.990 . 0 0 "[ . 1 . 2]" 1
318 1 17 VAL H 1 30 PHE HA 2.429 . 3.167 1.838 1.726 1.973 . 0 0 "[ . 1 . 2]" 1
319 1 17 VAL H 1 31 GLY H 3.214 . 4.505 3.411 3.260 3.678 . 0 0 "[ . 1 . 2]" 1
320 1 17 VAL HA 1 17 VAL HB 2.415 . 3.144 2.677 2.412 3.028 . 0 0 "[ . 1 . 2]" 1
321 1 17 VAL HA 1 17 VAL QG 2.029 . 2.543 2.223 2.128 2.307 . 0 0 "[ . 1 . 2]" 1
322 1 17 VAL HA 1 18 LYS H 2.928 . 4.000 3.518 3.485 3.568 . 0 0 "[ . 1 . 2]" 1
323 1 17 VAL HB 1 17 VAL QG 2.013 . 2.473 1.894 1.891 1.898 . 0 0 "[ . 1 . 2]" 1
324 1 17 VAL HB 1 18 LYS H 2.686 . 3.588 3.362 2.604 3.796 0.208 15 0 "[ . 1 . 2]" 1
325 1 17 VAL QG 1 18 LYS H 3.064 . 3.813 2.608 2.100 3.384 . 0 0 "[ . 1 . 2]" 1
326 1 18 LYS H 1 18 LYS HA 2.323 . 2.998 2.928 2.918 2.938 . 0 0 "[ . 1 . 2]" 1
327 1 18 LYS H 1 19 GLU H 3.503 . 5.037 4.179 4.068 4.388 . 0 0 "[ . 1 . 2]" 1
328 1 18 LYS H 1 29 THR H 2.833 . 3.837 3.165 2.917 3.357 . 0 0 "[ . 1 . 2]" 1
329 1 18 LYS H 1 29 THR HB 2.590 . 3.429 3.207 2.942 3.460 0.031 14 0 "[ . 1 . 2]" 1
330 1 18 LYS H 1 29 THR MG 3.050 . 4.213 4.174 3.937 4.265 0.052 3 0 "[ . 1 . 2]" 1
331 1 18 LYS H 1 30 PHE HA 3.348 . 4.749 3.547 3.471 3.617 . 0 0 "[ . 1 . 2]" 1
332 1 18 LYS H 1 31 GLY H 3.755 . 5.518 5.532 5.438 5.676 0.158 13 0 "[ . 1 . 2]" 1
333 1 18 LYS HA 1 18 LYS HB2 2.455 . 3.208 2.527 2.448 2.941 . 0 0 "[ . 1 . 2]" 1
334 1 18 LYS HA 1 18 LYS HG2 2.475 . 3.241 3.133 2.607 3.754 0.513 3 1 "[ + . 1 . 2]" 1
335 1 18 LYS HA 1 18 LYS HG3 2.858 . 3.879 2.704 2.471 3.609 . 0 0 "[ . 1 . 2]" 1
336 1 18 LYS HA 1 19 GLU H 2.048 . 2.572 2.138 2.071 2.479 . 0 0 "[ . 1 . 2]" 1
337 1 18 LYS HB2 1 18 LYS HG2 2.193 . 2.794 2.871 2.378 3.015 0.221 17 0 "[ . 1 . 2]" 1
338 1 18 LYS HB2 1 29 THR HB 2.429 . 3.167 3.089 1.857 3.277 0.110 8 0 "[ . 1 . 2]" 1
339 1 18 LYS HB3 1 19 GLU H 2.964 . 4.062 4.042 2.247 4.209 0.147 5 0 "[ . 1 . 2]" 1
340 1 18 LYS HB3 1 29 THR H 3.091 . 4.285 2.929 2.237 3.590 . 0 0 "[ . 1 . 2]" 1
341 1 18 LYS HB3 1 29 THR HB 2.217 . 2.831 2.098 1.924 2.887 0.056 9 0 "[ . 1 . 2]" 1
342 1 18 LYS QD 1 18 LYS HE3 1.917 . 2.376 2.323 2.173 2.377 0.001 12 0 "[ . 1 . 2]" 1
343 1 18 LYS HE3 1 18 LYS HG2 2.377 . 3.083 3.011 2.459 3.713 0.630 15 3 "[ . *- 1 + 2]" 1
344 1 18 LYS HE3 1 18 LYS HG3 2.479 . 3.247 2.819 2.428 3.771 0.524 8 1 "[ . + 1 . 2]" 1
345 1 18 LYS HG2 1 19 GLU H 3.137 . 4.367 3.422 2.927 4.518 0.151 12 0 "[ . 1 . 2]" 1
346 1 18 LYS HG3 1 19 GLU H 3.141 . 4.374 3.346 2.860 4.153 . 0 0 "[ . 1 . 2]" 1
347 1 19 GLU H 1 19 GLU QB 2.812 . 3.801 2.703 2.274 3.117 . 0 0 "[ . 1 . 2]" 1
348 1 19 GLU HA 1 19 GLU QB 2.236 . 2.861 2.345 2.174 2.434 . 0 0 "[ . 1 . 2]" 1
349 1 19 GLU HA 1 19 GLU QG 2.692 . 3.598 2.649 2.314 3.493 . 0 0 "[ . 1 . 2]" 1
350 1 19 GLU HA 1 20 GLY H 2.223 . 2.841 2.269 2.154 2.448 . 0 0 "[ . 1 . 2]" 1
351 1 19 GLU HA 1 29 THR H 3.195 . 4.471 3.609 3.327 3.932 . 0 0 "[ . 1 . 2]" 1
352 1 19 GLU QB 1 28 PHE QE 2.879 . 3.915 3.746 2.325 4.127 0.212 5 0 "[ . 1 . 2]" 1
353 1 19 GLU QG 1 28 PHE QD 2.900 . 3.952 2.724 1.988 4.026 0.074 14 0 "[ . 1 . 2]" 1
354 1 19 GLU QG 1 28 PHE QE 2.830 . 3.831 2.985 2.054 3.967 0.136 11 0 "[ . 1 . 2]" 1
355 1 20 GLY H 1 20 GLY HA2 2.529 . 3.329 2.454 2.287 2.898 . 0 0 "[ . 1 . 2]" 1
356 1 20 GLY H 1 20 GLY HA3 2.840 . 3.848 2.731 2.281 2.945 . 0 0 "[ . 1 . 2]" 1
357 1 20 GLY H 1 26 LYS HA 3.734 . 5.477 3.240 2.879 4.073 . 0 0 "[ . 1 . 2]" 1
358 1 20 GLY H 1 26 LYS HB2 3.550 . 5.126 4.356 3.902 4.545 . 0 0 "[ . 1 . 2]" 1
359 1 20 GLY H 1 26 LYS HE3 4.125 . 6.252 5.086 3.576 6.609 0.357 11 0 "[ . 1 . 2]" 1
360 1 20 GLY H 1 26 LYS QG 3.441 . 4.921 4.530 3.949 4.807 . 0 0 "[ . 1 . 2]" 1
361 1 20 GLY H 1 28 PHE HA 3.550 . 5.125 4.179 3.559 4.470 . 0 0 "[ . 1 . 2]" 1
362 1 20 GLY HA3 1 25 ALA MB 3.317 . 4.692 3.854 2.607 4.166 . 0 0 "[ . 1 . 2]" 1
363 1 21 GLY HA2 1 22 PRO QD 2.039 . 2.558 2.634 2.165 2.849 0.291 13 0 "[ . 1 . 2]" 1
364 1 21 GLY HA3 1 22 PRO QD 1.936 . 2.404 2.054 1.794 2.443 0.039 15 0 "[ . 1 . 2]" 1
365 1 22 PRO HA 1 22 PRO HB3 2.052 . 2.578 2.297 2.262 2.328 . 0 0 "[ . 1 . 2]" 1
366 1 22 PRO HA 1 22 PRO QG 2.631 . 3.496 2.972 2.763 3.484 . 0 0 "[ . 1 . 2]" 1
367 1 22 PRO HA 1 23 ALA H 2.893 . 3.939 3.265 2.357 3.559 . 0 0 "[ . 1 . 2]" 1
368 1 22 PRO HB2 1 22 PRO QD 2.917 . 3.981 2.929 2.809 3.523 . 0 0 "[ . 1 . 2]" 1
369 1 22 PRO HB2 1 24 HIS HE1 2.618 . 3.475 3.312 2.547 3.538 0.063 15 0 "[ . 1 . 2]" 1
370 1 22 PRO HB3 1 22 PRO QD 2.623 . 3.483 3.471 2.910 3.546 0.063 10 0 "[ . 1 . 2]" 1
371 1 22 PRO HB3 1 24 HIS HE1 2.947 . 4.032 4.023 3.423 4.106 0.074 16 0 "[ . 1 . 2]" 1
372 1 22 PRO QD 1 22 PRO QG 2.151 . 2.729 1.971 1.962 1.979 . 0 0 "[ . 1 . 2]" 1
373 1 22 PRO QD 1 24 HIS HE1 3.638 . 5.293 4.518 3.545 5.117 . 0 0 "[ . 1 . 2]" 1
374 1 22 PRO QD 1 25 ALA H 3.786 . 5.577 3.815 3.259 4.472 . 0 0 "[ . 1 . 2]" 1
375 1 22 PRO QD 1 25 ALA MB 2.504 . 3.288 2.219 1.869 3.071 . 0 0 "[ . 1 . 2]" 1
376 1 22 PRO QG 1 24 HIS HE1 2.818 . 3.810 3.064 2.344 3.817 0.007 1 0 "[ . 1 . 2]" 1
377 1 23 ALA H 1 23 ALA MB 3.164 . 4.415 2.778 2.221 2.983 . 0 0 "[ . 1 . 2]" 1
378 1 23 ALA HA 1 23 ALA MB 1.993 . 2.489 2.128 2.118 2.135 . 0 0 "[ . 1 . 2]" 1
379 1 23 ALA MB 1 24 HIS HE1 3.897 . 5.795 5.444 4.818 5.833 0.038 8 0 "[ . 1 . 2]" 1
380 1 24 HIS HA 1 24 HIS QB 2.100 . 2.651 2.185 2.168 2.191 . 0 0 "[ . 1 . 2]" 1
381 1 24 HIS HA 1 24 HIS HD2 3.553 . 5.131 4.485 4.435 4.541 . 0 0 "[ . 1 . 2]" 1
382 1 24 HIS HA 1 25 ALA H 3.507 . 5.045 3.174 3.022 3.429 . 0 0 "[ . 1 . 2]" 1
383 1 24 HIS QB 1 24 HIS HD2 3.105 . 3.857 2.816 2.760 2.865 . 0 0 "[ . 1 . 2]" 1
384 1 24 HIS QB 1 26 LYS H 4.054 . 6.108 5.069 4.740 5.902 . 0 0 "[ . 1 . 2]" 1
385 1 24 HIS HD2 1 25 ALA HA 3.651 . 5.317 3.825 3.072 4.415 . 0 0 "[ . 1 . 2]" 1
386 1 24 HIS HD2 1 25 ALA MB 2.490 . 3.265 3.024 2.330 3.320 0.055 6 0 "[ . 1 . 2]" 1
387 1 25 ALA H 1 25 ALA HA 2.690 . 3.594 2.935 2.906 2.950 . 0 0 "[ . 1 . 2]" 1
388 1 25 ALA H 1 25 ALA MB 3.086 . 4.277 2.494 2.305 2.663 . 0 0 "[ . 1 . 2]" 1
389 1 25 ALA H 1 26 LYS H 3.028 . 4.174 2.774 2.149 3.969 . 0 0 "[ . 1 . 2]" 1
390 1 25 ALA H 1 26 LYS HA 3.957 . 5.914 4.481 4.047 4.935 . 0 0 "[ . 1 . 2]" 1
391 1 25 ALA HA 1 25 ALA MB 2.023 . 2.535 2.128 2.125 2.134 . 0 0 "[ . 1 . 2]" 1
392 1 25 ALA HA 1 26 LYS H 2.267 . 2.909 2.765 2.216 3.051 0.142 15 0 "[ . 1 . 2]" 1
393 1 25 ALA HA 1 27 ARG H 3.323 . 4.703 2.962 2.685 3.314 . 0 0 "[ . 1 . 2]" 1
394 1 25 ALA MB 1 26 LYS H 2.813 . 3.802 3.637 3.453 3.725 . 0 0 "[ . 1 . 2]" 1
395 1 25 ALA MB 1 28 PHE QE 3.816 . 5.637 5.594 5.112 5.893 0.256 13 0 "[ . 1 . 2]" 1
396 1 26 LYS H 1 26 LYS HA 2.575 . 3.404 2.896 2.868 2.921 . 0 0 "[ . 1 . 2]" 1
397 1 26 LYS H 1 26 LYS HB2 2.438 . 3.181 2.433 2.072 3.104 . 0 0 "[ . 1 . 2]" 1
398 1 26 LYS H 1 26 LYS HB3 2.291 . 2.947 2.953 2.737 3.507 0.560 5 1 "[ + 1 . 2]" 1
399 1 26 LYS H 1 26 LYS QG 4.992 . 8.107 3.999 2.958 4.289 . 0 0 "[ . 1 . 2]" 1
400 1 26 LYS HA 1 26 LYS HB2 2.216 . 2.830 2.683 2.524 2.975 0.145 5 0 "[ . 1 . 2]" 1
401 1 26 LYS HA 1 26 LYS HB3 2.691 . 3.597 2.928 2.593 3.017 . 0 0 "[ . 1 . 2]" 1
402 1 26 LYS HA 1 26 LYS HD2 2.281 . 2.932 2.165 1.830 3.323 0.391 17 0 "[ . 1 . 2]" 1
403 1 26 LYS HA 1 26 LYS QG 3.046 . 3.957 2.656 2.481 2.838 . 0 0 "[ . 1 . 2]" 1
404 1 26 LYS HA 1 27 ARG H 3.158 . 4.405 3.039 2.937 3.170 . 0 0 "[ . 1 . 2]" 1
405 1 26 LYS HA 1 28 PHE QE 3.452 . 4.941 3.119 2.007 4.745 . 0 0 "[ . 1 . 2]" 1
406 1 26 LYS HB2 1 28 PHE QD 3.824 . 5.652 4.338 3.832 5.334 . 0 0 "[ . 1 . 2]" 1
407 1 26 LYS HB3 1 28 PHE HE1 3.051 . 4.215 4.323 3.381 4.437 0.222 9 0 "[ . 1 . 2]" 1
408 1 26 LYS QD 1 26 LYS HE2 2.208 . 2.818 2.299 2.168 2.396 . 0 0 "[ . 1 . 2]" 1
409 1 26 LYS QD 1 26 LYS HE3 2.336 . 3.018 2.312 2.160 2.388 . 0 0 "[ . 1 . 2]" 1
410 1 26 LYS QD 1 26 LYS QG 2.073 . 2.610 2.083 2.014 2.094 . 0 0 "[ . 1 . 2]" 1
411 1 26 LYS QD 1 28 PHE QE 2.874 . 3.907 2.678 2.019 3.960 0.053 19 0 "[ . 1 . 2]" 1
412 1 26 LYS HE2 1 26 LYS QG 2.559 . 3.378 2.651 2.268 3.315 . 0 0 "[ . 1 . 2]" 1
413 1 26 LYS HE2 1 28 PHE QE 3.205 . 4.489 3.694 2.870 4.128 . 0 0 "[ . 1 . 2]" 1
414 1 26 LYS HE3 1 28 PHE QE 3.255 . 4.580 3.457 2.259 5.063 0.483 15 0 "[ . 1 . 2]" 1
415 1 27 ARG H 1 27 ARG HB3 3.321 . 4.700 3.342 2.873 3.699 . 0 0 "[ . 1 . 2]" 1
416 1 27 ARG H 1 28 PHE H 3.797 . 5.599 4.520 4.453 4.554 . 0 0 "[ . 1 . 2]" 1
417 1 27 ARG HA 1 27 ARG HB3 2.902 . 3.954 2.381 2.266 2.452 . 0 0 "[ . 1 . 2]" 1
418 1 27 ARG HA 1 28 PHE H 2.599 . 3.444 2.180 2.072 2.252 . 0 0 "[ . 1 . 2]" 1
419 1 27 ARG HA 1 28 PHE QD 3.469 . 4.973 3.956 3.062 4.203 . 0 0 "[ . 1 . 2]" 1
420 1 27 ARG HA 1 28 PHE QE 3.892 . 5.786 4.585 4.166 4.791 . 0 0 "[ . 1 . 2]" 1
421 1 27 ARG HA 1 51 PRO HA 2.595 . 3.436 2.587 2.188 2.995 . 0 0 "[ . 1 . 2]" 1
422 1 27 ARG HB2 1 28 PHE H 3.370 . 4.789 3.456 2.840 4.012 . 0 0 "[ . 1 . 2]" 1
423 1 27 ARG HB2 1 50 MET H 3.367 . 4.784 4.287 3.431 4.947 0.163 8 0 "[ . 1 . 2]" 1
424 1 27 ARG HB3 1 28 PHE H 3.113 . 4.325 3.440 2.885 4.016 . 0 0 "[ . 1 . 2]" 1
425 1 27 ARG HB3 1 50 MET H 3.306 . 4.672 4.220 3.401 4.951 0.279 12 0 "[ . 1 . 2]" 1
426 1 28 PHE H 1 28 PHE HB2 3.208 . 4.494 2.708 2.503 2.822 . 0 0 "[ . 1 . 2]" 1
427 1 28 PHE H 1 28 PHE HB3 2.962 . 4.059 3.742 3.684 3.755 . 0 0 "[ . 1 . 2]" 1
428 1 28 PHE H 1 29 THR H 3.541 . 5.108 4.428 4.382 4.504 . 0 0 "[ . 1 . 2]" 1
429 1 28 PHE H 1 49 PRO HA 3.518 . 5.065 3.680 3.512 3.867 . 0 0 "[ . 1 . 2]" 1
430 1 28 PHE H 1 56 ALA MB 3.591 . 5.202 4.097 3.699 4.332 . 0 0 "[ . 1 . 2]" 1
431 1 28 PHE HA 1 28 PHE HB2 2.353 . 3.045 3.016 3.003 3.025 . 0 0 "[ . 1 . 2]" 1
432 1 28 PHE HA 1 28 PHE HB3 2.512 . 3.301 2.388 2.341 2.491 . 0 0 "[ . 1 . 2]" 1
433 1 28 PHE HA 1 28 PHE HD1 2.807 . 3.792 2.589 2.230 3.961 0.169 19 0 "[ . 1 . 2]" 1
434 1 28 PHE HA 1 28 PHE QD 2.760 . 3.712 2.451 2.226 3.073 . 0 0 "[ . 1 . 2]" 1
435 1 28 PHE HA 1 28 PHE QE 3.301 . 4.663 4.612 4.532 4.721 0.058 3 0 "[ . 1 . 2]" 1
436 1 28 PHE HA 1 29 THR H 2.134 . 2.703 2.140 2.115 2.209 . 0 0 "[ . 1 . 2]" 1
437 1 28 PHE HB2 1 28 PHE QD 2.307 . 2.972 2.292 2.240 2.447 . 0 0 "[ . 1 . 2]" 1
438 1 28 PHE HB2 1 29 THR H 3.179 . 4.442 3.914 3.595 4.133 . 0 0 "[ . 1 . 2]" 1
439 1 28 PHE HB2 1 56 ALA MB 2.479 . 3.247 2.324 1.944 2.647 . 0 0 "[ . 1 . 2]" 1
440 1 28 PHE HB3 1 29 THR H 3.376 . 4.801 3.093 2.816 3.193 . 0 0 "[ . 1 . 2]" 1
441 1 28 PHE QD 1 56 ALA MB 2.280 . 2.930 2.855 2.640 3.103 0.173 19 0 "[ . 1 . 2]" 1
442 1 28 PHE QD 1 52 SER HA 2.839 . 3.847 3.279 2.941 3.644 . 0 0 "[ . 1 . 2]" 1
443 1 28 PHE QD 1 53 VAL QG 3.112 . 3.656 2.680 2.283 2.981 . 0 0 "[ . 1 . 2]" 1
444 1 28 PHE QD 1 56 ALA HA 3.747 . 5.502 5.406 5.168 5.610 0.108 13 0 "[ . 1 . 2]" 1
445 1 28 PHE HD1 1 51 PRO HA 5.124 . 8.406 5.677 3.254 6.339 . 0 0 "[ . 1 . 2]" 1
446 1 28 PHE QE 1 53 VAL HB 3.476 . 4.986 4.577 2.753 4.925 . 0 0 "[ . 1 . 2]" 1
447 1 28 PHE QE 1 52 SER HA 2.318 . 2.989 2.232 1.994 2.982 . 0 0 "[ . 1 . 2]" 1
448 1 28 PHE QE 1 53 VAL QG 2.436 . 3.178 2.501 2.316 3.055 . 0 0 "[ . 1 . 2]" 1
449 1 29 THR H 1 29 THR HB 2.725 . 3.653 2.729 2.636 2.803 . 0 0 "[ . 1 . 2]" 1
450 1 29 THR H 1 29 THR MG 3.345 . 4.744 3.886 3.845 3.910 . 0 0 "[ . 1 . 2]" 1
451 1 29 THR H 1 30 PHE H 3.979 . 5.958 4.340 4.258 4.393 . 0 0 "[ . 1 . 2]" 1
452 1 29 THR H 1 56 ALA MB 3.534 . 5.095 4.567 4.045 4.898 . 0 0 "[ . 1 . 2]" 1
453 1 29 THR HA 1 29 THR HB 2.953 . 4.043 3.032 3.027 3.038 . 0 0 "[ . 1 . 2]" 1
454 1 29 THR HA 1 29 THR MG 2.378 . 3.085 2.332 2.290 2.369 . 0 0 "[ . 1 . 2]" 1
455 1 29 THR HA 1 30 PHE H 2.651 . 3.530 2.261 2.213 2.307 . 0 0 "[ . 1 . 2]" 1
456 1 29 THR HB 1 29 THR MG 2.177 . 2.769 2.135 2.129 2.138 . 0 0 "[ . 1 . 2]" 1
457 1 29 THR HB 1 30 PHE H 3.680 . 5.373 4.137 4.010 4.230 . 0 0 "[ . 1 . 2]" 1
458 1 29 THR MG 1 30 PHE H 2.810 . 3.797 2.722 2.482 2.912 . 0 0 "[ . 1 . 2]" 1
459 1 29 THR MG 1 30 PHE QD 4.009 . 6.018 5.436 5.186 5.589 . 0 0 "[ . 1 . 2]" 1
460 1 29 THR MG 1 47 GLY H 2.946 . 4.031 3.760 3.386 4.030 . 0 0 "[ . 1 . 2]" 1
461 1 29 THR MG 1 50 MET H 3.728 . 5.465 5.123 4.824 5.268 . 0 0 "[ . 1 . 2]" 1
462 1 30 PHE H 1 30 PHE QB 2.740 . 3.678 2.510 2.403 2.586 . 0 0 "[ . 1 . 2]" 1
463 1 30 PHE H 1 31 GLY H 3.937 . 5.875 4.379 4.343 4.424 . 0 0 "[ . 1 . 2]" 1
464 1 30 PHE H 1 47 GLY H 3.634 . 5.285 3.116 2.985 3.315 . 0 0 "[ . 1 . 2]" 1
465 1 30 PHE H 1 56 ALA MB 3.060 . 4.230 3.871 3.440 4.244 0.014 15 0 "[ . 1 . 2]" 1
466 1 30 PHE H 1 60 ALA MB 3.421 . 4.884 3.816 3.624 4.129 . 0 0 "[ . 1 . 2]" 1
467 1 30 PHE HA 1 30 PHE QB 2.170 . 2.759 2.204 2.191 2.219 . 0 0 "[ . 1 . 2]" 1
468 1 30 PHE HA 1 30 PHE QD 2.929 . 4.001 2.994 2.900 3.088 . 0 0 "[ . 1 . 2]" 1
469 1 30 PHE HA 1 31 GLY H 2.134 . 2.703 2.350 2.312 2.391 . 0 0 "[ . 1 . 2]" 1
470 1 30 PHE QB 1 31 GLY H 2.691 . 3.596 3.372 3.311 3.428 . 0 0 "[ . 1 . 2]" 1
471 1 30 PHE QB 1 47 GLY H 3.939 . 5.878 4.473 4.166 4.615 . 0 0 "[ . 1 . 2]" 1
472 1 30 PHE QB 1 57 LYS HA 2.847 . 3.860 3.781 3.603 3.882 0.022 20 0 "[ . 1 . 2]" 1
473 1 30 PHE QB 1 60 ALA H 3.551 . 5.127 5.190 5.123 5.255 0.128 14 0 "[ . 1 . 2]" 1
474 1 30 PHE QB 1 60 ALA MB 2.815 . 3.806 3.703 3.606 3.803 . 0 0 "[ . 1 . 2]" 1
475 1 30 PHE QD 1 60 ALA MB 2.680 . 3.578 2.357 2.273 2.446 . 0 0 "[ . 1 . 2]" 1
476 1 30 PHE QE 1 46 ILE HA 3.905 . 5.811 5.989 5.854 6.084 0.273 7 0 "[ . 1 . 2]" 1
477 1 30 PHE QE 1 47 GLY HA3 3.517 . 5.063 5.058 4.898 5.260 0.197 18 0 "[ . 1 . 2]" 1
478 1 30 PHE QE 1 57 LYS QB 3.208 . 4.494 3.200 2.815 3.542 . 0 0 "[ . 1 . 2]" 1
479 1 30 PHE QE 1 60 ALA MB 2.722 . 3.648 1.981 1.838 2.080 . 0 0 "[ . 1 . 2]" 1
480 1 31 GLY H 1 31 GLY QA 2.593 . 3.434 2.387 2.372 2.401 . 0 0 "[ . 1 . 2]" 1
481 1 31 GLY H 1 32 VAL H 3.356 . 4.764 4.406 4.315 4.438 . 0 0 "[ . 1 . 2]" 1
482 1 31 GLY H 1 60 ALA MB 3.347 . 4.747 4.528 4.317 4.737 . 0 0 "[ . 1 . 2]" 1
483 1 31 GLY QA 1 32 VAL H 2.324 . 2.999 2.164 2.131 2.179 . 0 0 "[ . 1 . 2]" 1
484 1 31 GLY QA 1 44 GLU QG 2.698 . 3.608 2.149 1.992 2.635 . 0 0 "[ . 1 . 2]" 1
485 1 31 GLY QA 1 45 CYS H 3.855 . 5.712 3.794 3.666 3.917 . 0 0 "[ . 1 . 2]" 1
486 1 31 GLY QA 1 46 ILE H 4.115 . 6.232 3.772 3.696 3.976 . 0 0 "[ . 1 . 2]" 1
487 1 31 GLY QA 1 46 ILE HA 2.482 . 3.252 2.009 1.821 2.163 . 0 0 "[ . 1 . 2]" 1
488 1 31 GLY QA 1 46 ILE MD 2.385 . 3.096 1.966 1.792 2.287 0.027 15 0 "[ . 1 . 2]" 1
489 1 31 GLY QA 1 46 ILE QG 2.755 . 3.704 3.047 2.154 3.378 . 0 0 "[ . 1 . 2]" 1
490 1 31 GLY QA 1 47 GLY H 3.118 . 4.333 3.040 2.905 3.360 . 0 0 "[ . 1 . 2]" 1
491 1 31 GLY QA 1 60 ALA MB 3.008 . 4.139 2.921 2.594 3.280 . 0 0 "[ . 1 . 2]" 1
492 1 32 VAL H 1 32 VAL HA 2.892 . 3.938 2.956 2.946 2.961 . 0 0 "[ . 1 . 2]" 1
493 1 32 VAL H 1 32 VAL QG 2.340 . 3.024 2.029 1.988 2.106 . 0 0 "[ . 1 . 2]" 1
494 1 32 VAL H 1 33 ARG H 3.644 . 5.304 4.557 4.542 4.577 . 0 0 "[ . 1 . 2]" 1
495 1 32 VAL H 1 44 GLU HA 3.317 . 4.692 4.091 3.614 4.246 . 0 0 "[ . 1 . 2]" 1
496 1 32 VAL H 1 44 GLU QG 2.602 . 3.448 3.276 2.997 3.577 0.129 3 0 "[ . 1 . 2]" 1
497 1 32 VAL H 1 45 CYS H 2.720 . 3.645 2.670 2.446 2.841 . 0 0 "[ . 1 . 2]" 1
498 1 32 VAL H 1 45 CYS QB 3.136 . 4.366 2.824 2.532 3.280 . 0 0 "[ . 1 . 2]" 1
499 1 32 VAL H 1 46 ILE HA 3.143 . 4.377 3.805 3.575 3.917 . 0 0 "[ . 1 . 2]" 1
500 1 32 VAL H 1 60 ALA HA 3.753 . 5.513 4.930 4.622 5.231 . 0 0 "[ . 1 . 2]" 1
501 1 32 VAL H 1 60 ALA MB 2.596 . 3.439 3.028 2.818 3.386 . 0 0 "[ . 1 . 2]" 1
502 1 32 VAL HA 1 32 VAL HB 2.449 . 3.199 2.909 2.444 2.987 . 0 0 "[ . 1 . 2]" 1
503 1 32 VAL HA 1 32 VAL QG . . 2.692 2.114 2.062 2.325 . 0 0 "[ . 1 . 2]" 1
504 1 32 VAL HA 1 33 ARG H 1.984 . 2.476 2.359 2.334 2.386 . 0 0 "[ . 1 . 2]" 1
505 1 32 VAL HB 1 32 VAL QG 2.219 . 2.467 1.885 1.883 1.891 . 0 0 "[ . 1 . 2]" 1
506 1 32 VAL MG1 1 32 VAL MG2 2.101 . 2.653 2.081 2.077 2.088 . 0 0 "[ . 1 . 2]" 1
507 1 32 VAL QG 1 33 ARG H 2.394 . 3.111 2.123 1.990 2.197 . 0 0 "[ . 1 . 2]" 1
508 1 32 VAL QG 1 45 CYS H 2.975 . 4.082 3.424 2.624 3.710 . 0 0 "[ . 1 . 2]" 1
509 1 32 VAL QG 1 45 CYS QB 2.402 . 3.123 2.530 1.987 2.918 . 0 0 "[ . 1 . 2]" 1
510 1 32 VAL QG 1 60 ALA MB 2.123 . 2.687 1.879 1.817 2.069 . 0 0 "[ . 1 . 2]" 1
511 1 32 VAL QG 1 61 ALA H 3.112 . 4.323 3.086 2.841 3.576 . 0 0 "[ . 1 . 2]" 1
512 1 32 VAL QG 1 61 ALA HA 2.128 . 2.694 2.412 2.128 2.663 . 0 0 "[ . 1 . 2]" 1
513 1 32 VAL QG 1 64 LEU QD 2.108 . 2.663 1.795 1.669 1.877 . 0 0 "[ . 1 . 2]" 1
514 1 33 ARG H 1 33 ARG QD 3.620 . 5.258 4.367 4.058 4.470 . 0 0 "[ . 1 . 2]" 1
515 1 33 ARG H 1 34 VAL HA 3.274 . 4.614 4.600 4.519 4.660 0.046 7 0 "[ . 1 . 2]" 1
516 1 33 ARG HA 1 33 ARG QB 2.037 . 2.555 2.238 2.179 2.539 . 0 0 "[ . 1 . 2]" 1
517 1 33 ARG HA 1 34 VAL H 2.157 . 2.739 2.246 2.205 2.275 . 0 0 "[ . 1 . 2]" 1
518 1 33 ARG HA 1 41 TRP HE3 3.806 . 5.617 3.974 3.653 4.173 . 0 0 "[ . 1 . 2]" 1
519 1 33 ARG HA 1 64 LEU QD 2.428 . 3.165 3.074 2.710 3.270 0.105 6 0 "[ . 1 . 2]" 1
520 1 33 ARG HB2 1 33 ARG HD2 2.418 . 3.149 2.281 2.147 2.628 . 0 0 "[ . 1 . 2]" 1
521 1 33 ARG QB 1 34 VAL H 2.578 . 3.409 2.893 2.658 3.389 . 0 0 "[ . 1 . 2]" 1
522 1 33 ARG QB 1 41 TRP HE3 2.717 . 3.640 2.285 1.840 2.830 0.037 2 0 "[ . 1 . 2]" 1
523 1 33 ARG QB 1 41 TRP HZ2 3.825 . 5.654 5.662 4.808 5.909 0.255 2 0 "[ . 1 . 2]" 1
524 1 33 ARG QB 1 41 TRP HZ3 3.136 . 4.365 3.213 2.251 3.545 . 0 0 "[ . 1 . 2]" 1
525 1 33 ARG QB 1 42 THR H 3.277 . 4.619 3.340 2.951 4.487 . 0 0 "[ . 1 . 2]" 1
526 1 33 ARG QD 1 33 ARG HG3 2.631 . 3.496 2.238 2.157 2.367 . 0 0 "[ . 1 . 2]" 1
527 1 33 ARG QD 1 34 VAL H 3.891 . 5.784 4.806 3.463 5.287 . 0 0 "[ . 1 . 2]" 1
528 1 33 ARG QD 1 41 TRP HE3 2.948 . 4.035 3.456 3.173 4.125 0.090 7 0 "[ . 1 . 2]" 1
529 1 33 ARG QD 1 42 THR H 3.698 . 5.408 4.740 3.372 5.439 0.031 3 0 "[ . 1 . 2]" 1
530 1 33 ARG HG2 1 41 TRP HE3 3.237 . 4.547 3.867 2.539 4.157 . 0 0 "[ . 1 . 2]" 1
531 1 33 ARG HG2 1 41 TRP HZ2 3.810 . 5.624 5.786 5.653 6.405 0.781 2 1 "[ + . 1 . 2]" 1
532 1 33 ARG HG3 1 41 TRP HE3 2.959 . 4.053 2.783 1.912 3.065 . 0 0 "[ . 1 . 2]" 1
533 1 33 ARG HG3 1 41 TRP HH2 3.729 . 5.467 3.724 3.268 5.623 0.156 7 0 "[ . 1 . 2]" 1
534 1 33 ARG HG3 1 41 TRP HZ3 2.975 . 4.081 2.650 2.380 3.756 . 0 0 "[ . 1 . 2]" 1
535 1 34 VAL H 1 34 VAL HB 2.625 . 3.487 2.654 2.586 2.764 . 0 0 "[ . 1 . 2]" 1
536 1 34 VAL H 1 34 VAL MG2 2.797 . 3.775 2.804 2.537 3.110 . 0 0 "[ . 1 . 2]" 1
537 1 34 VAL H 1 36 THR MG 3.483 . 5.000 4.463 4.300 4.848 . 0 0 "[ . 1 . 2]" 1
538 1 34 VAL H 1 41 TRP HE3 3.510 . 5.050 2.895 2.651 3.021 . 0 0 "[ . 1 . 2]" 1
539 1 34 VAL H 1 42 THR H 2.836 . 3.842 2.526 2.392 2.629 . 0 0 "[ . 1 . 2]" 1
540 1 34 VAL H 1 42 THR MG 2.752 . 3.699 2.851 2.727 3.059 . 0 0 "[ . 1 . 2]" 1
541 1 34 VAL H 1 64 LEU QD 2.934 . 4.010 3.330 3.091 3.599 . 0 0 "[ . 1 . 2]" 1
542 1 34 VAL HA 1 34 VAL HB 2.726 . 3.655 3.021 3.013 3.033 . 0 0 "[ . 1 . 2]" 1
543 1 34 VAL HA 1 34 VAL MG1 2.606 . 3.455 2.431 2.329 2.540 . 0 0 "[ . 1 . 2]" 1
544 1 34 VAL HA 1 34 VAL QG 2.514 . 3.304 2.147 2.120 2.155 . 0 0 "[ . 1 . 2]" 1
545 1 34 VAL HA 1 35 ASN H 2.417 . 3.147 2.342 2.322 2.372 . 0 0 "[ . 1 . 2]" 1
546 1 34 VAL HB 1 34 VAL MG1 2.052 . 2.578 2.125 2.121 2.130 . 0 0 "[ . 1 . 2]" 1
547 1 34 VAL HB 1 34 VAL QG 2.036 . 2.554 1.892 1.890 1.894 . 0 0 "[ . 1 . 2]" 1
548 1 34 VAL HB 1 35 ASN H 3.062 . 4.234 3.808 3.629 3.989 . 0 0 "[ . 1 . 2]" 1
549 1 34 VAL HB 1 41 TRP HZ3 3.320 . 4.698 4.806 4.748 4.865 0.167 2 0 "[ . 1 . 2]" 1
550 1 34 VAL HB 1 42 THR H 3.467 . 4.970 4.071 3.956 4.334 . 0 0 "[ . 1 . 2]" 1
551 1 34 VAL HB 1 42 THR MG 2.463 . 3.221 2.475 2.220 2.671 . 0 0 "[ . 1 . 2]" 1
552 1 34 VAL QG 1 42 THR MG 2.511 . 3.299 3.058 2.805 3.205 . 0 0 "[ . 1 . 2]" 1
553 1 34 VAL MG1 1 35 ASN H 2.708 . 3.625 2.063 1.972 2.135 . 0 0 "[ . 1 . 2]" 1
554 1 34 VAL MG1 1 36 THR H 2.711 . 3.630 3.361 3.052 3.608 . 0 0 "[ . 1 . 2]" 1
555 1 34 VAL MG1 1 36 THR MG 2.255 . 2.890 2.819 2.340 2.952 0.062 11 0 "[ . 1 . 2]" 1
556 1 34 VAL MG1 1 42 THR MG 2.583 . 3.417 3.345 2.894 3.489 0.072 3 0 "[ . 1 . 2]" 1
557 1 34 VAL MG2 1 41 TRP HE3 3.401 . 4.847 4.247 4.158 4.333 . 0 0 "[ . 1 . 2]" 1
558 1 35 ASN H 1 35 ASN HB2 2.672 . 3.565 2.743 2.410 2.878 . 0 0 "[ . 1 . 2]" 1
559 1 35 ASN H 1 35 ASN HB3 2.839 . 3.846 2.680 2.420 3.663 . 0 0 "[ . 1 . 2]" 1
560 1 35 ASN H 1 36 THR H 3.466 . 4.968 3.821 3.774 3.869 . 0 0 "[ . 1 . 2]" 1
561 1 35 ASN H 1 41 TRP HZ3 3.533 . 5.093 3.536 3.356 3.668 . 0 0 "[ . 1 . 2]" 1
562 1 35 ASN HA 1 35 ASN HB3 2.535 . 3.338 2.970 2.465 3.028 . 0 0 "[ . 1 . 2]" 1
563 1 35 ASN HA 1 36 THR H 2.105 . 2.659 2.176 2.120 2.256 . 0 0 "[ . 1 . 2]" 1
564 1 35 ASN HA 1 40 GLY HA2 2.675 . 3.570 3.542 3.305 3.661 0.091 12 0 "[ . 1 . 2]" 1
565 1 35 ASN HA 1 41 TRP H 3.149 . 4.389 3.779 3.664 3.949 . 0 0 "[ . 1 . 2]" 1
566 1 35 ASN HA 1 41 TRP HA 2.182 . 2.777 2.687 2.456 2.803 0.026 11 0 "[ . 1 . 2]" 1
567 1 35 ASN HA 1 41 TRP HE3 2.743 . 3.683 3.628 3.486 3.747 0.064 12 0 "[ . 1 . 2]" 1
568 1 35 ASN HA 1 41 TRP HZ3 3.950 . 5.900 4.584 4.365 4.744 . 0 0 "[ . 1 . 2]" 1
569 1 35 ASN HA 1 42 THR H 2.868 . 3.896 3.798 3.670 3.914 0.018 19 0 "[ . 1 . 2]" 1
570 1 35 ASN HB3 1 36 THR H 3.127 . 4.349 4.343 4.035 4.425 0.076 18 0 "[ . 1 . 2]" 1
571 1 35 ASN HB3 1 42 THR H 4.286 . 6.582 6.500 6.366 6.595 0.013 11 0 "[ . 1 . 2]" 1
572 1 36 THR H 1 36 THR MG 2.220 . 2.836 2.498 2.353 2.578 . 0 0 "[ . 1 . 2]" 1
573 1 36 THR H 1 42 THR HB 3.515 . 5.059 5.013 4.942 5.066 0.007 20 0 "[ . 1 . 2]" 1
574 1 36 THR H 1 39 ARG H 3.335 . 4.725 4.025 3.942 4.148 . 0 0 "[ . 1 . 2]" 1
575 1 36 THR H 1 40 GLY H 2.980 . 4.090 3.359 3.181 3.542 . 0 0 "[ . 1 . 2]" 1
576 1 36 THR H 1 40 GLY HA3 3.281 . 4.626 4.722 4.642 4.794 0.168 6 0 "[ . 1 . 2]" 1
577 1 36 THR H 1 41 TRP H 3.575 . 5.172 4.612 4.497 4.711 . 0 0 "[ . 1 . 2]" 1
578 1 36 THR H 1 42 THR H 3.201 . 4.482 3.666 3.548 3.803 . 0 0 "[ . 1 . 2]" 1
579 1 36 THR H 1 42 THR MG 3.142 . 4.376 2.840 2.677 2.970 . 0 0 "[ . 1 . 2]" 1
580 1 36 THR HA 1 36 THR HB 2.106 . 2.661 2.506 2.470 2.532 . 0 0 "[ . 1 . 2]" 1
581 1 36 THR HA 1 36 THR MG 2.198 . 2.802 2.300 2.282 2.345 . 0 0 "[ . 1 . 2]" 1
582 1 36 THR HA 1 37 SER H 2.038 . 2.557 2.082 2.016 2.119 . 0 0 "[ . 1 . 2]" 1
583 1 36 THR HA 1 37 SER QB 2.922 . 3.989 4.083 4.008 4.254 0.265 3 0 "[ . 1 . 2]" 1
584 1 36 THR HA 1 38 ASP H 3.650 . 5.316 3.835 3.568 4.141 . 0 0 "[ . 1 . 2]" 1
585 1 36 THR HA 1 40 GLY H 3.822 . 5.648 4.349 4.203 4.506 . 0 0 "[ . 1 . 2]" 1
586 1 36 THR HB 1 36 THR MG 2.049 . 2.574 2.127 2.125 2.130 . 0 0 "[ . 1 . 2]" 1
587 1 36 THR HB 1 38 ASP H 3.125 . 4.346 3.057 2.739 3.509 . 0 0 "[ . 1 . 2]" 1
588 1 36 THR HB 1 39 ARG H 3.075 . 4.257 3.267 2.831 3.517 . 0 0 "[ . 1 . 2]" 1
589 1 36 THR HB 1 40 GLY H 3.107 . 4.313 3.602 3.298 3.831 . 0 0 "[ . 1 . 2]" 1
590 1 36 THR MG 1 38 ASP H 3.768 . 5.543 4.510 4.265 4.851 . 0 0 "[ . 1 . 2]" 1
591 1 36 THR MG 1 39 ARG H 3.339 . 4.732 4.560 4.045 4.763 0.031 6 0 "[ . 1 . 2]" 1
592 1 36 THR MG 1 40 GLY H 3.425 . 4.891 4.190 3.859 4.519 . 0 0 "[ . 1 . 2]" 1
593 1 36 THR MG 1 42 THR H 3.197 . 4.474 4.081 3.870 4.316 . 0 0 "[ . 1 . 2]" 1
594 1 36 THR MG 1 42 THR MG 2.165 . 2.751 1.916 1.852 2.028 . 0 0 "[ . 1 . 2]" 1
595 1 37 SER H 1 37 SER HA 2.438 . 3.181 2.728 2.699 2.756 . 0 0 "[ . 1 . 2]" 1
596 1 37 SER H 1 37 SER QB 2.354 . 3.047 2.273 2.185 2.466 . 0 0 "[ . 1 . 2]" 1
597 1 37 SER H 1 38 ASP H 3.100 . 4.301 2.901 2.733 3.016 . 0 0 "[ . 1 . 2]" 1
598 1 37 SER H 1 39 ARG H 3.328 . 4.713 4.368 4.230 4.632 . 0 0 "[ . 1 . 2]" 1
599 1 37 SER QB 1 38 ASP H 3.006 . 4.136 2.989 2.544 3.647 . 0 0 "[ . 1 . 2]" 1
600 1 37 SER QB 1 39 ARG H 3.344 . 4.742 3.840 3.691 4.038 . 0 0 "[ . 1 . 2]" 1
601 1 38 ASP H 1 38 ASP HA 2.987 . 4.103 2.874 2.771 2.947 . 0 0 "[ . 1 . 2]" 1
602 1 38 ASP H 1 39 ARG H 2.675 . 3.569 2.546 2.350 2.914 . 0 0 "[ . 1 . 2]" 1
603 1 38 ASP H 1 39 ARG QB 4.004 . 6.008 4.465 3.825 5.175 . 0 0 "[ . 1 . 2]" 1
604 1 38 ASP H 1 40 GLY H 3.502 . 5.035 4.033 3.852 4.297 . 0 0 "[ . 1 . 2]" 1
605 1 38 ASP HA 1 38 ASP HB2 1.880 . 2.322 2.465 2.341 2.977 0.655 16 2 "[ . -1 .+ 2]" 1
606 1 38 ASP HA 1 38 ASP HB3 2.120 . 2.682 2.466 2.377 2.563 . 0 0 "[ . 1 . 2]" 1
607 1 38 ASP HB3 1 39 ARG H 3.177 . 4.439 4.209 3.580 4.468 0.029 12 0 "[ . 1 . 2]" 1
608 1 39 ARG H 1 39 ARG HA 2.741 . 3.680 2.941 2.917 2.949 . 0 0 "[ . 1 . 2]" 1
609 1 39 ARG H 1 39 ARG QB 3.091 . 4.285 2.629 2.554 2.742 . 0 0 "[ . 1 . 2]" 1
610 1 39 ARG H 1 40 GLY H 2.354 . 3.047 1.943 1.853 2.082 . 0 0 "[ . 1 . 2]" 1
611 1 39 ARG HA 1 39 ARG QB 3.349 . 3.611 2.387 2.307 2.465 . 0 0 "[ . 1 . 2]" 1
612 1 39 ARG HA 1 39 ARG QD 3.085 . 4.274 3.600 2.161 4.240 . 0 0 "[ . 1 . 2]" 1
613 1 39 ARG HA 1 39 ARG QG 2.061 . 2.592 2.472 2.331 2.727 0.135 3 0 "[ . 1 . 2]" 1
614 1 39 ARG HA 1 40 GLY H 2.718 . 3.642 3.528 3.494 3.561 . 0 0 "[ . 1 . 2]" 1
615 1 39 ARG QB 1 39 ARG QD 1.889 . 2.335 2.215 2.094 2.445 0.110 1 0 "[ . 1 . 2]" 1
616 1 39 ARG QB 1 39 ARG QG 2.306 . 2.971 2.063 2.010 2.086 . 0 0 "[ . 1 . 2]" 1
617 1 39 ARG QB 1 40 GLY H 3.439 . 4.362 2.522 2.310 2.786 . 0 0 "[ . 1 . 2]" 1
618 1 39 ARG QD 1 39 ARG QG 2.343 . 3.029 2.055 2.001 2.090 . 0 0 "[ . 1 . 2]" 1
619 1 40 GLY H 1 40 GLY HA2 2.365 . 3.064 2.478 2.459 2.501 . 0 0 "[ . 1 . 2]" 1
620 1 40 GLY H 1 40 GLY HA3 2.231 . 2.853 2.940 2.935 2.948 0.095 8 0 "[ . 1 . 2]" 1
621 1 40 GLY H 1 41 TRP H 3.234 . 4.541 4.474 4.449 4.489 . 0 0 "[ . 1 . 2]" 1
622 1 40 GLY H 1 67 LEU QD 4.103 . 6.207 6.147 5.968 6.272 0.065 8 0 "[ . 1 . 2]" 1
623 1 40 GLY HA2 1 41 TRP H 2.229 . 2.850 2.839 2.721 2.895 0.045 9 0 "[ . 1 . 2]" 1
624 1 40 GLY HA3 1 41 TRP H 2.142 . 2.716 2.283 2.206 2.378 . 0 0 "[ . 1 . 2]" 1
625 1 41 TRP H 1 41 TRP HA 2.859 . 3.881 2.759 2.737 2.787 . 0 0 "[ . 1 . 2]" 1
626 1 41 TRP H 1 41 TRP HB2 2.383 . 3.093 2.277 2.238 2.305 . 0 0 "[ . 1 . 2]" 1
627 1 41 TRP H 1 41 TRP HB3 2.642 . 3.514 3.548 3.530 3.562 0.048 12 0 "[ . 1 . 2]" 1
628 1 41 TRP H 1 41 TRP HD1 2.757 . 3.707 3.651 3.404 3.769 0.062 11 0 "[ . 1 . 2]" 1
629 1 41 TRP H 1 41 TRP HE1 3.891 . 5.783 5.431 5.258 5.562 . 0 0 "[ . 1 . 2]" 1
630 1 41 TRP H 1 42 THR H 3.339 . 4.732 4.463 4.439 4.514 . 0 0 "[ . 1 . 2]" 1
631 1 41 TRP HA 1 41 TRP HB2 2.647 . 3.523 2.981 2.969 2.990 . 0 0 "[ . 1 . 2]" 1
632 1 41 TRP HA 1 41 TRP HB3 2.762 . 3.716 2.652 2.630 2.675 . 0 0 "[ . 1 . 2]" 1
633 1 41 TRP HA 1 41 TRP HD1 3.453 . 4.943 4.481 4.380 4.536 . 0 0 "[ . 1 . 2]" 1
634 1 41 TRP HA 1 41 TRP HE3 2.731 . 3.663 2.055 1.938 2.322 . 0 0 "[ . 1 . 2]" 1
635 1 41 TRP HA 1 41 TRP HZ3 3.752 . 5.512 4.270 4.186 4.451 . 0 0 "[ . 1 . 2]" 1
636 1 41 TRP HA 1 42 THR H 2.175 . 2.766 2.104 2.086 2.115 . 0 0 "[ . 1 . 2]" 1
637 1 41 TRP HB2 1 41 TRP HE3 3.173 . 4.432 4.205 4.175 4.218 . 0 0 "[ . 1 . 2]" 1
638 1 41 TRP HB2 1 42 THR H 3.179 . 4.443 4.428 4.336 4.455 0.012 13 0 "[ . 1 . 2]" 1
639 1 41 TRP HB3 1 41 TRP HE3 3.043 . 4.200 3.133 2.958 3.216 . 0 0 "[ . 1 . 2]" 1
640 1 41 TRP HB3 1 41 TRP HZ3 4.049 . 6.098 5.413 5.262 5.487 . 0 0 "[ . 1 . 2]" 1
641 1 41 TRP HB3 1 42 THR H 2.941 . 4.022 3.499 3.320 3.561 . 0 0 "[ . 1 . 2]" 1
642 1 41 TRP HE3 1 42 THR H 3.150 . 4.390 2.524 2.398 2.642 . 0 0 "[ . 1 . 2]" 1
643 1 41 TRP HH2 1 41 TRP HZ3 2.426 . 3.162 2.429 2.423 2.435 . 0 0 "[ . 1 . 2]" 1
644 1 42 THR H 1 42 THR HA 2.641 . 3.513 2.841 2.818 2.858 . 0 0 "[ . 1 . 2]" 1
645 1 42 THR H 1 42 THR HB 2.961 . 4.057 3.601 3.586 3.615 . 0 0 "[ . 1 . 2]" 1
646 1 42 THR H 1 42 THR MG 2.316 . 2.987 2.276 2.212 2.357 . 0 0 "[ . 1 . 2]" 1
647 1 42 THR H 1 43 ASP H 3.705 . 5.421 4.608 4.532 4.649 . 0 0 "[ . 1 . 2]" 1
648 1 42 THR H 1 67 LEU QD 3.288 . 4.640 4.457 4.327 4.603 . 0 0 "[ . 1 . 2]" 1
649 1 42 THR HA 1 42 THR HB 1.973 . 2.460 2.487 2.468 2.506 0.046 20 0 "[ . 1 . 2]" 1
650 1 42 THR HA 1 42 THR MG 2.074 . 2.612 2.328 2.296 2.353 . 0 0 "[ . 1 . 2]" 1
651 1 42 THR HA 1 43 ASP H 1.987 . 2.481 2.410 2.267 2.537 0.056 6 0 "[ . 1 . 2]" 1
652 1 42 THR HB 1 42 THR MG 2.169 . 2.757 2.131 2.127 2.133 . 0 0 "[ . 1 . 2]" 1
653 1 42 THR HB 1 43 ASP H 2.456 . 3.210 2.379 2.000 2.834 . 0 0 "[ . 1 . 2]" 1
654 1 42 THR MG 1 43 ASP H 2.857 . 3.877 3.601 3.418 3.800 . 0 0 "[ . 1 . 2]" 1
655 1 42 THR MG 1 67 LEU MD2 1.917 . 2.376 2.289 1.894 2.782 0.406 9 0 "[ . 1 . 2]" 1
656 1 43 ASP H 1 43 ASP HA 2.224 . 2.842 2.821 2.800 2.872 0.030 6 0 "[ . 1 . 2]" 1
657 1 43 ASP H 1 43 ASP QB 2.318 . 2.990 2.494 2.381 2.614 . 0 0 "[ . 1 . 2]" 1
658 1 43 ASP HA 1 43 ASP QB 2.140 . 2.713 2.283 2.173 2.409 . 0 0 "[ . 1 . 2]" 1
659 1 43 ASP QB 1 44 GLU H 2.963 . 3.526 3.045 2.328 3.249 . 0 0 "[ . 1 . 2]" 1
660 1 44 GLU H 1 44 GLU HA 2.143 . 2.717 2.789 2.723 2.891 0.174 6 0 "[ . 1 . 2]" 1
661 1 44 GLU H 1 44 GLU HB2 2.521 . 3.315 2.500 2.218 3.472 0.157 3 0 "[ . 1 . 2]" 1
662 1 44 GLU H 1 44 GLU HB3 2.535 . 3.338 2.603 2.177 3.506 0.168 2 0 "[ . 1 . 2]" 1
663 1 44 GLU HA 1 44 GLU HB3 2.598 . 3.442 2.969 2.597 3.015 . 0 0 "[ . 1 . 2]" 1
664 1 44 GLU HA 1 44 GLU QG 2.417 . 3.147 2.416 2.099 3.267 0.120 3 0 "[ . 1 . 2]" 1
665 1 44 GLU HA 1 45 CYS H 2.352 . 3.044 2.065 2.026 2.140 . 0 0 "[ . 1 . 2]" 1
666 1 44 GLU HB2 1 45 CYS H 3.075 . 4.257 4.210 3.002 4.372 0.115 1 0 "[ . 1 . 2]" 1
667 1 44 GLU HB2 1 46 ILE H 4.050 . 6.100 6.151 5.325 6.569 0.469 13 0 "[ . 1 . 2]" 1
668 1 44 GLU HB3 1 44 GLU QG 2.067 . 2.601 2.289 2.136 2.433 . 0 0 "[ . 1 . 2]" 1
669 1 44 GLU HB3 1 45 CYS H 2.940 . 4.020 4.162 3.390 4.287 0.267 19 0 "[ . 1 . 2]" 1
670 1 44 GLU QG 1 45 CYS H 2.559 . 3.378 3.018 2.727 3.451 0.073 3 0 "[ . 1 . 2]" 1
671 1 45 CYS H 1 45 CYS HA 2.911 . 3.970 2.914 2.894 2.929 . 0 0 "[ . 1 . 2]" 1
672 1 45 CYS H 1 45 CYS QB 2.380 . 3.088 2.491 2.463 2.545 . 0 0 "[ . 1 . 2]" 1
673 1 45 CYS H 1 64 LEU QD 3.185 . 4.453 3.785 3.535 4.005 . 0 0 "[ . 1 . 2]" 1
674 1 45 CYS H 1 64 LEU QD 3.124 . 4.344 3.365 3.158 3.622 . 0 0 "[ . 1 . 2]" 1
675 1 45 CYS HA 1 45 CYS QB 2.576 . 3.405 2.342 2.319 2.356 . 0 0 "[ . 1 . 2]" 1
676 1 45 CYS QB 1 46 ILE H 2.843 . 3.853 3.634 3.544 3.670 . 0 0 "[ . 1 . 2]" 1
677 1 45 CYS QB 1 63 LEU H 3.679 . 5.371 4.557 4.061 4.825 . 0 0 "[ . 1 . 2]" 1
678 1 45 CYS QB 1 63 LEU HB2 2.256 . 2.892 2.649 2.260 2.938 0.046 19 0 "[ . 1 . 2]" 1
679 1 45 CYS QB 1 63 LEU HB3 2.589 . 3.427 3.199 2.839 3.457 0.030 15 0 "[ . 1 . 2]" 1
680 1 45 CYS QB 1 64 LEU H 3.155 . 4.399 3.529 3.045 4.001 . 0 0 "[ . 1 . 2]" 1
681 1 45 CYS QB 1 64 LEU QD 2.436 . 3.178 2.968 2.701 3.112 . 0 0 "[ . 1 . 2]" 1
682 1 46 ILE H 1 46 ILE HA 2.323 . 2.997 2.868 2.846 2.898 . 0 0 "[ . 1 . 2]" 1
683 1 46 ILE H 1 46 ILE HB 2.304 . 2.968 2.360 2.207 2.548 . 0 0 "[ . 1 . 2]" 1
684 1 46 ILE H 1 46 ILE MD 2.924 . 3.992 3.006 2.179 3.687 . 0 0 "[ . 1 . 2]" 1
685 1 46 ILE H 1 46 ILE QG 2.824 . 3.821 2.756 2.133 3.554 . 0 0 "[ . 1 . 2]" 1
686 1 46 ILE H 1 46 ILE MG 2.686 . 3.588 3.691 3.612 3.754 0.166 15 0 "[ . 1 . 2]" 1
687 1 46 ILE HA 1 46 ILE HB 2.629 . 3.493 3.014 2.991 3.026 . 0 0 "[ . 1 . 2]" 1
688 1 46 ILE HA 1 46 ILE MD 2.970 . 4.073 2.211 2.001 2.604 . 0 0 "[ . 1 . 2]" 1
689 1 46 ILE HA 1 46 ILE QG 2.786 . 3.756 2.667 2.314 2.901 . 0 0 "[ . 1 . 2]" 1
690 1 46 ILE HA 1 46 ILE MG 2.306 . 2.971 2.501 2.312 2.659 . 0 0 "[ . 1 . 2]" 1
691 1 46 ILE HA 1 47 GLY H 2.488 . 3.261 2.124 2.089 2.148 . 0 0 "[ . 1 . 2]" 1
692 1 46 ILE HA 1 60 ALA MB 3.040 . 4.195 3.434 3.179 3.603 . 0 0 "[ . 1 . 2]" 1
693 1 46 ILE HB 1 46 ILE MD 2.327 . 3.004 2.910 2.409 3.209 0.205 7 0 "[ . 1 . 2]" 1
694 1 46 ILE HB 1 46 ILE QG 2.428 . 3.165 2.243 2.174 2.383 . 0 0 "[ . 1 . 2]" 1
695 1 46 ILE HB 1 46 ILE MG 2.053 . 2.580 2.117 2.114 2.121 . 0 0 "[ . 1 . 2]" 1
696 1 46 ILE HB 1 47 GLY H 3.514 . 5.058 4.287 4.144 4.413 . 0 0 "[ . 1 . 2]" 1
697 1 46 ILE MD 1 46 ILE QG 2.115 . 2.620 1.881 1.877 1.882 . 0 0 "[ . 1 . 2]" 1
698 1 46 ILE MD 1 47 GLY H 3.043 . 4.200 3.916 3.528 4.421 0.221 13 0 "[ . 1 . 2]" 1
699 1 46 ILE QG 1 46 ILE MG 2.458 . 3.213 2.253 2.084 2.390 . 0 0 "[ . 1 . 2]" 1
700 1 46 ILE MG 1 47 GLY H 2.489 . 3.264 2.793 2.550 2.907 . 0 0 "[ . 1 . 2]" 1
701 1 47 GLY H 1 47 GLY HA2 2.560 . 3.379 2.895 2.870 2.907 . 0 0 "[ . 1 . 2]" 1
702 1 47 GLY H 1 47 GLY HA3 2.437 . 3.179 2.325 2.309 2.338 . 0 0 "[ . 1 . 2]" 1
703 1 47 GLY H 1 48 GLU H 3.304 . 4.668 4.431 4.327 4.533 . 0 0 "[ . 1 . 2]" 1
704 1 47 GLY H 1 60 ALA MB 2.645 . 3.520 2.380 2.216 2.534 . 0 0 "[ . 1 . 2]" 1
705 1 47 GLY HA2 1 48 GLU H 2.361 . 3.058 2.680 2.550 2.781 . 0 0 "[ . 1 . 2]" 1
706 1 47 GLY HA2 1 60 ALA HA 2.134 . 2.703 2.559 2.323 2.745 0.042 1 0 "[ . 1 . 2]" 1
707 1 47 GLY HA2 1 60 ALA MB 2.859 . 3.881 3.248 2.887 3.495 . 0 0 "[ . 1 . 2]" 1
708 1 47 GLY HA3 1 48 GLU H 2.424 . 3.158 2.437 2.311 2.617 . 0 0 "[ . 1 . 2]" 1
709 1 47 GLY HA3 1 60 ALA H 3.138 . 4.369 3.129 2.854 3.566 . 0 0 "[ . 1 . 2]" 1
710 1 47 GLY HA3 1 60 ALA MB 2.669 . 3.559 2.239 2.025 2.501 . 0 0 "[ . 1 . 2]" 1
711 1 48 GLU H 1 48 GLU HA 2.881 . 3.918 2.902 2.888 2.916 . 0 0 "[ . 1 . 2]" 1
712 1 48 GLU H 1 48 GLU HB2 2.751 . 3.697 2.640 2.378 3.667 . 0 0 "[ . 1 . 2]" 1
713 1 48 GLU H 1 48 GLU HB3 2.498 . 3.278 3.481 2.726 3.635 0.357 15 0 "[ . 1 . 2]" 1
714 1 48 GLU H 1 48 GLU HG2 2.685 . 3.586 3.262 1.911 3.612 0.026 9 0 "[ . 1 . 2]" 1
715 1 48 GLU H 1 48 GLU HG3 2.804 . 3.787 2.576 2.147 3.841 0.054 6 0 "[ . 1 . 2]" 1
716 1 48 GLU H 1 50 MET HG2 3.848 . 5.699 3.955 3.658 4.274 . 0 0 "[ . 1 . 2]" 1
717 1 48 GLU H 1 50 MET HG3 4.054 . 6.108 4.784 4.259 5.296 . 0 0 "[ . 1 . 2]" 1
718 1 48 GLU H 1 60 ALA H 3.636 . 5.289 4.382 3.920 4.805 . 0 0 "[ . 1 . 2]" 1
719 1 48 GLU HA 1 48 GLU HG2 2.598 . 3.442 2.760 2.482 3.727 0.285 13 0 "[ . 1 . 2]" 1
720 1 48 GLU HA 1 48 GLU HG3 2.713 . 3.633 3.242 3.030 3.717 0.084 19 0 "[ . 1 . 2]" 1
721 1 48 GLU HA 1 49 PRO QD 2.072 . 2.609 1.956 1.882 2.096 . 0 0 "[ . 1 . 2]" 1
722 1 48 GLU HB2 1 48 GLU HG2 2.230 . 2.852 2.976 2.416 3.011 0.159 14 0 "[ . 1 . 2]" 1
723 1 48 GLU HB2 1 49 PRO QD 3.747 . 5.502 3.575 2.036 4.036 . 0 0 "[ . 1 . 2]" 1
724 1 48 GLU HB3 1 48 GLU HG2 2.400 . 3.120 2.473 2.381 2.990 . 0 0 "[ . 1 . 2]" 1
725 1 48 GLU HB3 1 48 GLU HG3 2.350 . 3.041 2.975 2.406 3.013 . 0 0 "[ . 1 . 2]" 1
726 1 49 PRO HA 1 49 PRO HB3 2.728 . 3.658 2.296 2.273 2.312 . 0 0 "[ . 1 . 2]" 1
727 1 49 PRO HA 1 50 MET H 2.243 . 2.872 2.178 2.138 2.232 . 0 0 "[ . 1 . 2]" 1
728 1 49 PRO HB2 1 49 PRO QD 2.315 . 2.985 2.989 2.857 3.535 0.550 20 3 "[ *. -1 . +]" 1
729 1 49 PRO HB3 1 50 MET H 2.988 . 4.104 3.945 3.753 4.204 0.100 20 0 "[ . 1 . 2]" 1
730 1 50 MET H 1 50 MET HA 2.720 . 3.645 2.944 2.938 2.951 . 0 0 "[ . 1 . 2]" 1
731 1 50 MET H 1 50 MET QB 2.485 . 3.257 2.476 2.328 2.596 . 0 0 "[ . 1 . 2]" 1
732 1 50 MET H 1 50 MET HG2 3.014 . 4.150 2.925 2.697 3.202 . 0 0 "[ . 1 . 2]" 1
733 1 50 MET H 1 50 MET HG3 3.049 . 4.211 4.144 4.021 4.258 0.047 17 0 "[ . 1 . 2]" 1
734 1 50 MET H 1 51 PRO HD2 3.571 . 5.165 4.978 4.916 5.030 . 0 0 "[ . 1 . 2]" 1
735 1 50 MET H 1 51 PRO HD3 3.683 . 5.379 4.841 4.797 4.895 . 0 0 "[ . 1 . 2]" 1
736 1 50 MET H 1 52 SER H 3.630 . 5.277 4.589 4.484 4.784 . 0 0 "[ . 1 . 2]" 1
737 1 50 MET H 1 56 ALA H 3.965 . 5.931 5.642 5.337 5.940 0.009 2 0 "[ . 1 . 2]" 1
738 1 50 MET H 1 56 ALA HA 3.434 . 4.908 4.106 3.968 4.338 . 0 0 "[ . 1 . 2]" 1
739 1 50 MET H 1 56 ALA MB 2.840 . 3.848 3.586 3.365 3.858 0.010 13 0 "[ . 1 . 2]" 1
740 1 50 MET HA 1 50 MET QB 2.184 . 2.780 2.382 2.325 2.454 . 0 0 "[ . 1 . 2]" 1
741 1 50 MET HA 1 50 MET ME 2.900 . 3.951 3.401 2.878 4.035 0.084 17 0 "[ . 1 . 2]" 1
742 1 50 MET HA 1 50 MET HG2 2.691 . 3.596 3.030 2.813 3.209 . 0 0 "[ . 1 . 2]" 1
743 1 50 MET HA 1 50 MET HG3 2.796 . 3.773 3.717 3.641 3.766 . 0 0 "[ . 1 . 2]" 1
744 1 50 MET HA 1 51 PRO HD2 2.218 . 2.833 2.483 2.305 2.688 . 0 0 "[ . 1 . 2]" 1
745 1 50 MET HA 1 51 PRO HD3 1.999 . 2.499 2.176 2.107 2.221 . 0 0 "[ . 1 . 2]" 1
746 1 50 MET HA 1 52 SER H 3.447 . 4.932 3.938 3.817 4.172 . 0 0 "[ . 1 . 2]" 1
747 1 50 MET QB 1 50 MET HG2 2.632 . 3.498 2.339 2.320 2.360 . 0 0 "[ . 1 . 2]" 1
748 1 50 MET QB 1 50 MET HG3 2.223 . 2.841 2.153 2.150 2.159 . 0 0 "[ . 1 . 2]" 1
749 1 50 MET QB 1 56 ALA HA 2.467 . 3.228 2.422 2.194 2.670 . 0 0 "[ . 1 . 2]" 1
750 1 50 MET HB3 1 52 SER H 2.395 . 3.112 2.653 2.193 3.031 . 0 0 "[ . 1 . 2]" 1
751 1 50 MET ME 1 50 MET HG2 2.357 . 3.052 3.106 2.561 3.390 0.338 15 0 "[ . 1 . 2]" 1
752 1 50 MET ME 1 51 PRO HD2 3.086 . 4.276 3.084 2.188 4.339 0.063 11 0 "[ . 1 . 2]" 1
753 1 50 MET ME 1 55 LYS QB 2.265 . 2.906 2.457 1.818 2.962 0.056 9 0 "[ . 1 . 2]" 1
754 1 50 MET ME 1 55 LYS QG 2.510 . 3.297 3.066 2.266 3.484 0.187 17 0 "[ . 1 . 2]" 1
755 1 50 MET ME 1 59 SER H 3.607 . 5.233 4.189 3.640 4.584 . 0 0 "[ . 1 . 2]" 1
756 1 50 MET ME 1 59 SER QB 2.310 . 2.977 2.696 1.945 3.055 0.078 1 0 "[ . 1 . 2]" 1
757 1 50 MET HG2 1 56 ALA HA 2.324 . 2.999 2.845 2.618 3.021 0.022 17 0 "[ . 1 . 2]" 1
758 1 50 MET HG3 1 56 ALA HA 2.337 . 3.020 2.295 2.001 2.677 . 0 0 "[ . 1 . 2]" 1
759 1 51 PRO HA 1 51 PRO HB2 2.096 . 2.645 2.681 2.669 2.697 0.052 19 0 "[ . 1 . 2]" 1
760 1 51 PRO HA 1 51 PRO QG 2.699 . 3.609 3.506 3.498 3.517 . 0 0 "[ . 1 . 2]" 1
761 1 51 PRO HA 1 52 SER H 2.927 . 3.998 3.260 3.169 3.336 . 0 0 "[ . 1 . 2]" 1
762 1 51 PRO HB2 1 51 PRO HD3 2.795 . 3.772 3.954 3.926 4.000 0.228 8 0 "[ . 1 . 2]" 1
763 1 51 PRO HB2 1 51 PRO QG 2.090 . 2.636 2.185 2.181 2.188 . 0 0 "[ . 1 . 2]" 1
764 1 51 PRO HB2 1 52 SER H 3.743 . 5.494 4.127 4.023 4.210 . 0 0 "[ . 1 . 2]" 1
765 1 51 PRO HB3 1 51 PRO QG 3.505 . 5.041 2.250 2.242 2.257 . 0 0 "[ . 1 . 2]" 1
766 1 51 PRO HB3 1 52 SER H 3.394 . 4.834 4.589 4.536 4.637 . 0 0 "[ . 1 . 2]" 1
767 1 51 PRO HD2 1 51 PRO QG 4.598 . 7.240 2.181 2.177 2.186 . 0 0 "[ . 1 . 2]" 1
768 1 51 PRO HD2 1 52 SER H 2.894 . 3.941 3.061 2.811 3.320 . 0 0 "[ . 1 . 2]" 1
769 1 51 PRO HD2 1 56 ALA H 3.697 . 5.405 5.000 4.867 5.073 . 0 0 "[ . 1 . 2]" 1
770 1 51 PRO HD3 1 51 PRO QG 2.153 . 2.732 2.219 2.203 2.229 . 0 0 "[ . 1 . 2]" 1
771 1 52 SER H 1 52 SER HA 2.827 . 3.826 2.884 2.853 2.910 . 0 0 "[ . 1 . 2]" 1
772 1 52 SER H 1 52 SER HB2 3.037 . 4.190 3.206 2.858 3.548 . 0 0 "[ . 1 . 2]" 1
773 1 52 SER H 1 52 SER HB3 3.034 . 4.185 3.351 2.723 3.972 . 0 0 "[ . 1 . 2]" 1
774 1 52 SER H 1 53 VAL H 3.966 . 5.932 4.252 4.227 4.289 . 0 0 "[ . 1 . 2]" 1
775 1 52 SER H 1 53 VAL QG 3.905 . 5.811 4.788 4.672 5.264 . 0 0 "[ . 1 . 2]" 1
776 1 52 SER H 1 55 LYS H 3.375 . 4.799 4.490 4.116 4.798 . 0 0 "[ . 1 . 2]" 1
777 1 52 SER H 1 55 LYS QD 2.539 . 3.345 3.218 2.892 3.387 0.042 1 0 "[ . 1 . 2]" 1
778 1 52 SER H 1 55 LYS QG 2.912 . 3.972 3.200 2.805 4.085 0.113 13 0 "[ . 1 . 2]" 1
779 1 52 SER H 1 56 ALA H 3.094 . 4.291 4.231 3.955 4.343 0.052 8 0 "[ . 1 . 2]" 1
780 1 52 SER HA 1 52 SER HB2 2.410 . 3.136 2.703 2.370 3.034 . 0 0 "[ . 1 . 2]" 1
781 1 52 SER HA 1 52 SER HB3 2.535 . 3.338 2.773 2.439 3.035 . 0 0 "[ . 1 . 2]" 1
782 1 52 SER HA 1 53 VAL H 3.173 . 4.432 2.233 2.203 2.305 . 0 0 "[ . 1 . 2]" 1
783 1 52 SER HB2 1 53 VAL H 4.009 . 6.018 3.990 3.868 4.091 . 0 0 "[ . 1 . 2]" 1
784 1 52 SER HB3 1 53 VAL H 4.054 . 6.109 3.549 2.857 4.119 . 0 0 "[ . 1 . 2]" 1
785 1 52 SER HB3 1 55 LYS H 3.636 . 5.289 3.320 2.804 3.785 . 0 0 "[ . 1 . 2]" 1
786 1 53 VAL H 1 53 VAL HB 3.330 . 4.716 3.332 2.473 3.643 . 0 0 "[ . 1 . 2]" 1
787 1 53 VAL H 1 53 VAL QG 3.143 . 4.378 1.904 1.709 2.246 0.199 15 0 "[ . 1 . 2]" 1
788 1 53 VAL H 1 54 LYS H 3.974 . 5.948 2.633 2.461 2.863 . 0 0 "[ . 1 . 2]" 1
789 1 53 VAL HA 1 53 VAL HB 2.533 . 3.335 2.611 2.439 3.025 . 0 0 "[ . 1 . 2]" 1
790 1 53 VAL HA 1 53 VAL QG 1.992 . 2.488 2.232 2.096 2.307 . 0 0 "[ . 1 . 2]" 1
791 1 53 VAL HA 1 54 LYS H 2.975 . 4.082 3.492 3.428 3.581 . 0 0 "[ . 1 . 2]" 1
792 1 53 VAL HA 1 55 LYS H 3.580 . 5.182 4.399 4.161 4.528 . 0 0 "[ . 1 . 2]" 1
793 1 53 VAL HA 1 56 ALA H 2.850 . 3.865 3.354 3.094 3.533 . 0 0 "[ . 1 . 2]" 1
794 1 53 VAL HA 1 56 ALA MB 2.105 . 2.659 2.364 2.203 2.498 . 0 0 "[ . 1 . 2]" 1
795 1 53 VAL HA 1 57 LYS H 3.107 . 4.314 4.243 4.003 4.372 0.058 15 0 "[ . 1 . 2]" 1
796 1 53 VAL HB 1 53 VAL QG 2.165 . 2.723 1.894 1.888 1.898 . 0 0 "[ . 1 . 2]" 1
797 1 53 VAL QG 1 54 LYS H 2.963 . 4.060 2.598 2.164 3.471 . 0 0 "[ . 1 . 2]" 1
798 1 53 VAL QG 1 56 ALA H 3.568 . 5.159 4.406 4.066 4.510 . 0 0 "[ . 1 . 2]" 1
799 1 54 LYS H 1 54 LYS HA 2.553 . 3.368 2.834 2.764 2.868 . 0 0 "[ . 1 . 2]" 1
800 1 54 LYS H 1 54 LYS HG2 2.868 . 3.896 3.411 2.161 4.493 0.597 3 3 "[ + - * . 2]" 1
801 1 54 LYS H 1 55 LYS H 2.964 . 4.062 2.585 2.463 2.890 . 0 0 "[ . 1 . 2]" 1
802 1 54 LYS H 1 56 ALA H 3.083 . 4.271 3.758 3.534 4.052 . 0 0 "[ . 1 . 2]" 1
803 1 54 LYS HA 1 54 LYS HB2 2.635 . 3.503 2.885 2.326 3.026 . 0 0 "[ . 1 . 2]" 1
804 1 54 LYS HA 1 54 LYS HB3 2.117 . 2.677 2.616 2.443 3.013 0.336 10 0 "[ . 1 . 2]" 1
805 1 54 LYS HA 1 54 LYS HG3 2.707 . 3.623 3.105 2.362 3.810 0.187 20 0 "[ . 1 . 2]" 1
806 1 54 LYS HA 1 55 LYS H 3.323 . 4.703 3.534 3.514 3.570 . 0 0 "[ . 1 . 2]" 1
807 1 54 LYS HA 1 56 ALA H 3.769 . 5.545 4.208 4.087 4.364 . 0 0 "[ . 1 . 2]" 1
808 1 54 LYS HA 1 57 LYS H 3.253 . 4.576 3.982 3.767 4.171 . 0 0 "[ . 1 . 2]" 1
809 1 54 LYS HA 1 58 ASP H 3.518 . 5.065 4.553 4.245 4.936 . 0 0 "[ . 1 . 2]" 1
810 1 54 LYS HB2 1 55 LYS H 2.383 . 3.093 2.941 2.486 4.060 0.967 17 4 "[ - . ** . + 2]" 1
811 1 54 LYS QD 1 54 LYS HE2 1.920 . 2.381 2.127 2.023 2.309 . 0 0 "[ . 1 . 2]" 1
812 1 54 LYS QE 1 54 LYS HG2 2.394 . 3.110 2.606 2.306 2.983 . 0 0 "[ . 1 . 2]" 1
813 1 54 LYS QE 1 54 LYS HG3 2.323 . 2.998 2.660 2.376 3.044 0.046 20 0 "[ . 1 . 2]" 1
814 1 54 LYS HG3 1 55 LYS H 3.237 . 4.547 4.585 4.148 5.079 0.532 1 1 "[+ . 1 . 2]" 1
815 1 55 LYS H 1 55 LYS HA 2.456 . 3.210 2.878 2.856 2.889 . 0 0 "[ . 1 . 2]" 1
816 1 55 LYS H 1 55 LYS QB 2.893 . 3.939 2.691 2.460 2.907 . 0 0 "[ . 1 . 2]" 1
817 1 55 LYS H 1 55 LYS QG 2.388 . 3.101 1.973 1.803 2.146 . 0 0 "[ . 1 . 2]" 1
818 1 55 LYS H 1 56 ALA H 2.546 . 3.356 2.352 2.308 2.404 . 0 0 "[ . 1 . 2]" 1
819 1 55 LYS HA 1 55 LYS QB 2.287 . 2.941 2.206 2.155 2.346 . 0 0 "[ . 1 . 2]" 1
820 1 55 LYS HA 1 55 LYS QG 2.456 . 3.210 3.117 2.497 3.346 0.136 2 0 "[ . 1 . 2]" 1
821 1 55 LYS HA 1 58 ASP H 2.734 . 3.669 3.230 3.001 3.645 . 0 0 "[ . 1 . 2]" 1
822 1 55 LYS HA 1 58 ASP HB2 4.863 . 7.819 2.586 2.013 3.926 . 0 0 "[ . 1 . 2]" 1
823 1 55 LYS HA 1 58 ASP HB3 4.482 . 6.993 2.888 1.972 4.081 . 0 0 "[ . 1 . 2]" 1
824 1 55 LYS HB2 1 55 LYS HE2 2.448 . 3.197 2.393 1.916 2.846 . 0 0 "[ . 1 . 2]" 1
825 1 55 LYS QB 1 55 LYS HG2 4.204 . 6.413 2.115 2.102 2.123 . 0 0 "[ . 1 . 2]" 1
826 1 55 LYS QD 1 55 LYS HE2 1.937 . 2.406 2.126 2.110 2.134 . 0 0 "[ . 1 . 2]" 1
827 1 55 LYS HE2 1 55 LYS HG2 3.835 . 5.673 2.764 2.331 3.214 . 0 0 "[ . 1 . 2]" 1
828 1 55 LYS QG 1 56 ALA H 2.855 . 3.874 2.945 2.477 3.962 0.088 17 0 "[ . 1 . 2]" 1
829 1 56 ALA H 1 56 ALA HA 2.644 . 3.518 2.782 2.772 2.794 . 0 0 "[ . 1 . 2]" 1
830 1 56 ALA H 1 56 ALA MB 2.243 . 2.872 2.231 2.222 2.237 . 0 0 "[ . 1 . 2]" 1
831 1 56 ALA H 1 57 LYS QG 3.831 . 5.666 4.468 3.935 5.471 . 0 0 "[ . 1 . 2]" 1
832 1 56 ALA HA 1 56 ALA MB 2.052 . 2.578 2.131 2.128 2.134 . 0 0 "[ . 1 . 2]" 1
833 1 56 ALA MB 1 57 LYS H 2.645 . 3.520 2.168 2.094 2.242 . 0 0 "[ . 1 . 2]" 1
834 1 57 LYS H 1 57 LYS HA 2.577 . 3.407 2.752 2.731 2.787 . 0 0 "[ . 1 . 2]" 1
835 1 57 LYS H 1 57 LYS QB 2.568 . 3.393 2.449 2.186 2.581 . 0 0 "[ . 1 . 2]" 1
836 1 57 LYS H 1 57 LYS QG 2.705 . 3.620 2.201 1.917 3.274 . 0 0 "[ . 1 . 2]" 1
837 1 57 LYS H 1 58 ASP H 2.551 . 3.364 2.855 2.765 2.947 . 0 0 "[ . 1 . 2]" 1
838 1 57 LYS HA 1 57 LYS QG 2.501 . 3.283 2.711 2.417 3.348 0.065 2 0 "[ . 1 . 2]" 1
839 1 57 LYS HA 1 58 ASP H 3.248 . 4.567 3.544 3.500 3.567 . 0 0 "[ . 1 . 2]" 1
840 1 57 LYS HA 1 60 ALA H 3.022 . 4.163 3.693 3.476 3.991 . 0 0 "[ . 1 . 2]" 1
841 1 57 LYS HA 1 60 ALA MB 2.604 . 3.452 3.086 2.888 3.250 . 0 0 "[ . 1 . 2]" 1
842 1 57 LYS HA 1 61 ALA H 3.430 . 4.900 3.991 3.834 4.112 . 0 0 "[ . 1 . 2]" 1
843 1 57 LYS QB 1 58 ASP H 2.644 . 3.518 2.556 2.174 3.352 . 0 0 "[ . 1 . 2]" 1
844 1 57 LYS QB 1 61 ALA H 3.376 . 4.801 3.878 3.754 3.984 . 0 0 "[ . 1 . 2]" 1
845 1 57 LYS QG 1 58 ASP H 3.676 . 5.049 3.459 1.892 4.270 0.095 3 0 "[ . 1 . 2]" 1
846 1 58 ASP H 1 58 ASP HA 2.554 . 3.370 2.743 2.722 2.770 . 0 0 "[ . 1 . 2]" 1
847 1 58 ASP H 1 58 ASP HB3 2.664 . 3.551 3.018 2.528 3.605 0.054 12 0 "[ . 1 . 2]" 1
848 1 58 ASP H 1 59 SER H 2.641 . 3.513 2.976 2.869 3.052 . 0 0 "[ . 1 . 2]" 1
849 1 58 ASP HA 1 58 ASP HB3 2.494 . 3.271 2.840 2.566 3.024 . 0 0 "[ . 1 . 2]" 1
850 1 58 ASP HA 1 61 ALA H 3.151 . 4.392 3.693 3.458 3.857 . 0 0 "[ . 1 . 2]" 1
851 1 58 ASP HA 1 61 ALA MB 2.472 . 3.236 2.526 2.235 2.717 . 0 0 "[ . 1 . 2]" 1
852 1 59 SER H 1 59 SER HA 2.528 . 3.327 2.798 2.776 2.840 . 0 0 "[ . 1 . 2]" 1
853 1 59 SER H 1 59 SER HA 2.250 . 2.883 2.215 2.128 2.408 . 0 0 "[ . 1 . 2]" 1
854 1 59 SER H 1 59 SER QB 2.452 . 3.203 2.328 2.210 2.609 . 0 0 "[ . 1 . 2]" 1
855 1 59 SER H 1 60 ALA H 2.752 . 3.699 2.733 2.595 2.804 . 0 0 "[ . 1 . 2]" 1
856 1 59 SER H 1 61 ALA H 3.581 . 5.184 4.187 4.001 4.313 . 0 0 "[ . 1 . 2]" 1
857 1 59 SER H 1 62 VAL QG 3.690 . 5.392 4.349 4.157 4.778 . 0 0 "[ . 1 . 2]" 1
858 1 59 SER HA 1 60 ALA H 2.878 . 3.914 3.548 3.531 3.563 . 0 0 "[ . 1 . 2]" 1
859 1 59 SER HA 1 62 VAL H 3.086 . 4.277 3.583 3.247 3.763 . 0 0 "[ . 1 . 2]" 1
860 1 60 ALA H 1 60 ALA HA 2.451 . 3.202 2.855 2.850 2.867 . 0 0 "[ . 1 . 2]" 1
861 1 60 ALA H 1 60 ALA MB 2.297 . 2.957 2.239 2.230 2.256 . 0 0 "[ . 1 . 2]" 1
862 1 60 ALA H 1 61 ALA H 2.490 . 3.265 2.527 2.450 2.579 . 0 0 "[ . 1 . 2]" 1
863 1 60 ALA HA 1 60 ALA MB 1.805 . 2.212 2.126 2.122 2.133 . 0 0 "[ . 1 . 2]" 1
864 1 60 ALA MB 1 61 ALA H 2.196 . 2.799 2.432 2.320 2.557 . 0 0 "[ . 1 . 2]" 1
865 1 61 ALA H 1 61 ALA HA 2.188 . 2.787 2.773 2.762 2.816 0.029 16 0 "[ . 1 . 2]" 1
866 1 61 ALA H 1 61 ALA MB 2.242 . 2.870 2.233 2.215 2.247 . 0 0 "[ . 1 . 2]" 1
867 1 61 ALA H 1 62 VAL H 2.726 . 3.655 2.830 2.748 2.865 . 0 0 "[ . 1 . 2]" 1
868 1 61 ALA H 1 63 LEU H 3.716 . 5.442 4.258 4.121 4.352 . 0 0 "[ . 1 . 2]" 1
869 1 61 ALA H 1 64 LEU QD 3.231 . 4.536 4.667 4.504 4.723 0.187 4 0 "[ . 1 . 2]" 1
870 1 61 ALA HA 1 61 ALA MB 2.189 . 2.788 2.126 2.122 2.128 . 0 0 "[ . 1 . 2]" 1
871 1 61 ALA HA 1 62 VAL H 3.177 . 4.439 3.551 3.534 3.570 . 0 0 "[ . 1 . 2]" 1
872 1 61 ALA HA 1 63 LEU H 3.218 . 4.512 4.202 4.045 4.281 . 0 0 "[ . 1 . 2]" 1
873 1 61 ALA HA 1 64 LEU H 2.886 . 3.927 3.213 2.978 3.335 . 0 0 "[ . 1 . 2]" 1
874 1 61 ALA HA 1 64 LEU HB2 2.451 . 3.202 2.746 1.977 3.199 . 0 0 "[ . 1 . 2]" 1
875 1 61 ALA HA 1 64 LEU HB3 2.246 . 2.877 2.379 2.124 3.480 0.603 16 2 "[ . 1- .+ 2]" 1
876 1 61 ALA HA 1 64 LEU QD 2.029 . 2.544 2.585 2.427 2.629 0.085 14 0 "[ . 1 . 2]" 1
877 1 61 ALA MB 1 62 VAL H 2.629 . 3.493 2.699 2.612 2.807 . 0 0 "[ . 1 . 2]" 1
878 1 61 ALA MB 1 63 LEU H 3.214 . 4.506 4.504 4.451 4.550 0.044 3 0 "[ . 1 . 2]" 1
879 1 61 ALA MB 1 65 LEU QD 2.634 . 3.501 2.838 2.469 3.365 . 0 0 "[ . 1 . 2]" 1
880 1 62 VAL H 1 62 VAL HA 2.407 . 3.131 2.826 2.794 2.850 . 0 0 "[ . 1 . 2]" 1
881 1 62 VAL H 1 62 VAL HB 2.366 . 3.066 2.494 2.372 2.579 . 0 0 "[ . 1 . 2]" 1
882 1 62 VAL H 1 62 VAL QG 2.212 . 2.824 2.166 2.029 2.446 . 0 0 "[ . 1 . 2]" 1
883 1 62 VAL H 1 63 LEU H 2.696 . 3.604 2.583 2.477 2.687 . 0 0 "[ . 1 . 2]" 1
884 1 62 VAL HA 1 62 VAL HB 2.417 . 3.147 2.937 2.561 3.031 . 0 0 "[ . 1 . 2]" 1
885 1 62 VAL HA 1 62 VAL QG 2.265 . 2.562 2.144 2.129 2.181 . 0 0 "[ . 1 . 2]" 1
886 1 62 VAL HA 1 63 LEU H 3.337 . 4.729 3.501 3.457 3.524 . 0 0 "[ . 1 . 2]" 1
887 1 62 VAL HA 1 64 LEU H 3.865 . 5.732 4.237 4.078 4.351 . 0 0 "[ . 1 . 2]" 1
888 1 62 VAL HA 1 65 LEU H 2.794 . 3.770 3.358 3.110 3.674 . 0 0 "[ . 1 . 2]" 1
889 1 62 VAL HA 1 65 LEU HB2 2.445 . 3.192 2.678 2.339 3.237 0.045 16 0 "[ . 1 . 2]" 1
890 1 62 VAL HA 1 65 LEU QD 2.408 . 3.133 2.733 2.303 3.182 0.049 17 0 "[ . 1 . 2]" 1
891 1 62 VAL HA 1 66 GLU H 3.600 . 5.220 4.732 4.431 4.926 . 0 0 "[ . 1 . 2]" 1
892 1 62 VAL HB 1 62 VAL QG 2.130 . 2.507 1.895 1.886 1.897 . 0 0 "[ . 1 . 2]" 1
893 1 62 VAL HB 1 63 LEU H 2.771 . 3.731 2.973 2.638 3.870 0.139 18 0 "[ . 1 . 2]" 1
894 1 62 VAL QG 1 63 LEU H 2.863 . 3.887 3.087 2.278 3.330 . 0 0 "[ . 1 . 2]" 1
895 1 63 LEU H 1 63 LEU HA 2.768 . 3.726 2.874 2.862 2.885 . 0 0 "[ . 1 . 2]" 1
896 1 63 LEU H 1 63 LEU HB2 2.497 . 3.277 2.476 2.418 2.570 . 0 0 "[ . 1 . 2]" 1
897 1 63 LEU H 1 63 LEU HB3 2.627 . 3.489 3.586 3.573 3.596 0.107 13 0 "[ . 1 . 2]" 1
898 1 63 LEU H 1 63 LEU HG 2.510 . 3.298 2.324 2.167 2.468 . 0 0 "[ . 1 . 2]" 1
899 1 63 LEU H 1 64 LEU H 2.625 . 3.487 2.317 2.259 2.375 . 0 0 "[ . 1 . 2]" 1
900 1 63 LEU H 1 65 LEU H 3.379 . 4.806 3.936 3.796 4.074 . 0 0 "[ . 1 . 2]" 1
901 1 63 LEU H 1 66 GLU H 3.803 . 5.611 4.872 4.760 5.034 . 0 0 "[ . 1 . 2]" 1
902 1 63 LEU HA 1 64 LEU H 3.365 . 4.781 3.459 3.427 3.481 . 0 0 "[ . 1 . 2]" 1
903 1 63 LEU HA 1 66 GLU H 3.079 . 4.264 3.391 3.235 3.768 . 0 0 "[ . 1 . 2]" 1
904 1 63 LEU HB3 1 64 LEU H 4.790 . 7.657 3.783 3.695 3.938 . 0 0 "[ . 1 . 2]" 1
905 1 64 LEU H 1 64 LEU HA 2.307 . 2.972 2.812 2.794 2.823 . 0 0 "[ . 1 . 2]" 1
906 1 64 LEU H 1 64 LEU HB2 2.537 . 3.342 2.424 2.047 2.635 . 0 0 "[ . 1 . 2]" 1
907 1 64 LEU H 1 64 LEU HB3 2.329 . 3.007 2.506 2.267 3.407 0.400 16 0 "[ . 1 . 2]" 1
908 1 64 LEU H 1 64 LEU QD 2.804 . 3.787 3.610 3.374 3.681 . 0 0 "[ . 1 . 2]" 1
909 1 64 LEU H 1 65 LEU H 2.625 . 3.486 2.635 2.592 2.710 . 0 0 "[ . 1 . 2]" 1
910 1 64 LEU H 1 65 LEU QD 2.928 . 4.000 4.070 3.991 4.220 0.220 1 0 "[ . 1 . 2]" 1
911 1 64 LEU HA 1 64 LEU HB2 2.473 . 3.238 2.490 2.364 2.945 . 0 0 "[ . 1 . 2]" 1
912 1 64 LEU HA 1 64 LEU HB3 2.273 . 2.919 2.976 2.716 3.007 0.088 1 0 "[ . 1 . 2]" 1
913 1 64 LEU HA 1 65 LEU H 3.502 . 5.035 3.531 3.507 3.561 . 0 0 "[ . 1 . 2]" 1
914 1 64 LEU HA 1 66 GLU H 4.098 . 6.197 4.038 3.835 4.249 . 0 0 "[ . 1 . 2]" 1
915 1 64 LEU HA 1 67 LEU H 2.968 . 4.069 3.279 3.095 3.525 . 0 0 "[ . 1 . 2]" 1
916 1 64 LEU HA 1 67 LEU HB2 2.739 . 3.677 2.977 2.600 3.678 0.001 19 0 "[ . 1 . 2]" 1
917 1 64 LEU HA 1 67 LEU HB3 2.692 . 3.598 3.099 2.474 3.633 0.035 4 0 "[ . 1 . 2]" 1
918 1 64 LEU HA 1 67 LEU QD 2.447 . 3.195 3.128 2.941 3.244 0.049 15 0 "[ . 1 . 2]" 1
919 1 64 LEU HA 1 68 LEU H 3.735 . 5.478 4.116 3.598 4.526 . 0 0 "[ . 1 . 2]" 1
920 1 64 LEU HB2 1 64 LEU QD 2.121 . 2.683 2.126 2.024 2.391 . 0 0 "[ . 1 . 2]" 1
921 1 64 LEU HB3 1 64 LEU QD 2.037 . 2.556 2.153 2.074 2.278 . 0 0 "[ . 1 . 2]" 1
922 1 64 LEU HB3 1 65 LEU H 2.900 . 3.951 2.559 2.278 3.092 . 0 0 "[ . 1 . 2]" 1
923 1 64 LEU HB3 1 65 LEU QD 2.477 . 3.244 2.934 2.640 3.109 . 0 0 "[ . 1 . 2]" 1
924 1 64 LEU QD 1 65 LEU H 2.803 . 3.785 3.534 3.266 3.711 . 0 0 "[ . 1 . 2]" 1
925 1 64 LEU HG 1 67 LEU H 2.697 . 3.606 3.804 3.717 3.953 0.347 19 0 "[ . 1 . 2]" 1
926 1 65 LEU H 1 65 LEU HA 2.415 . 3.144 2.795 2.762 2.813 . 0 0 "[ . 1 . 2]" 1
927 1 65 LEU H 1 65 LEU HB2 2.414 . 3.142 2.190 2.116 2.662 . 0 0 "[ . 1 . 2]" 1
928 1 65 LEU H 1 65 LEU HB3 2.571 . 3.397 3.461 3.428 3.560 0.163 1 0 "[ . 1 . 2]" 1
929 1 65 LEU H 1 65 LEU QD 2.700 . 3.611 2.408 2.283 2.549 . 0 0 "[ . 1 . 2]" 1
930 1 65 LEU H 1 66 GLU H 2.778 . 3.743 2.705 2.658 2.796 . 0 0 "[ . 1 . 2]" 1
931 1 65 LEU HA 1 65 LEU HB2 2.614 . 3.468 2.951 2.931 3.013 . 0 0 "[ . 1 . 2]" 1
932 1 65 LEU HA 1 65 LEU QD 2.096 . 2.645 2.089 1.853 2.311 . 0 0 "[ . 1 . 2]" 1
933 1 65 LEU HA 1 66 GLU H 2.787 . 3.758 3.490 3.451 3.554 . 0 0 "[ . 1 . 2]" 1
934 1 65 LEU HA 1 67 LEU H 3.502 . 5.035 4.264 4.063 4.540 . 0 0 "[ . 1 . 2]" 1
935 1 65 LEU HA 1 68 LEU H 3.071 . 4.250 3.420 3.067 3.932 . 0 0 "[ . 1 . 2]" 1
936 1 65 LEU HA 1 69 ASN H 3.451 . 4.939 4.345 3.604 4.726 . 0 0 "[ . 1 . 2]" 1
937 1 65 LEU HB2 1 65 LEU QD 2.309 . 2.975 2.205 2.096 2.375 . 0 0 "[ . 1 . 2]" 1
938 1 65 LEU HB2 1 66 GLU H 2.777 . 3.741 3.108 2.723 3.269 . 0 0 "[ . 1 . 2]" 1
939 1 65 LEU HB3 1 65 LEU QD 2.421 . 3.154 2.282 2.112 2.396 . 0 0 "[ . 1 . 2]" 1
940 1 65 LEU HB3 1 66 GLU H 2.897 . 3.946 3.520 3.260 3.966 0.020 1 0 "[ . 1 . 2]" 1
941 1 65 LEU QD 1 66 GLU H 3.253 . 4.576 4.062 3.992 4.125 . 0 0 "[ . 1 . 2]" 1
942 1 66 GLU H 1 66 GLU HA 2.653 . 3.533 2.859 2.840 2.884 . 0 0 "[ . 1 . 2]" 1
943 1 66 GLU H 1 66 GLU HB2 2.372 . 3.075 2.771 2.446 3.652 0.577 5 5 "[ + * *1 -*. 2]" 1
944 1 66 GLU H 1 66 GLU HG2 2.557 . 3.374 2.475 1.847 3.390 0.016 6 0 "[ . 1 . 2]" 1
945 1 66 GLU H 1 66 GLU HG3 2.512 . 3.301 2.892 2.165 3.488 0.187 10 0 "[ . 1 . 2]" 1
946 1 66 GLU HA 1 66 GLU HB3 2.018 . 2.527 2.425 2.312 2.478 . 0 0 "[ . 1 . 2]" 1
947 1 66 GLU HA 1 66 GLU HG2 2.614 . 3.468 2.986 2.403 3.667 0.199 9 0 "[ . 1 . 2]" 1
948 1 66 GLU HA 1 69 ASN H 2.771 . 3.731 3.355 2.960 3.738 0.007 19 0 "[ . 1 . 2]" 1
949 1 66 GLU HA 1 69 ASN HB2 2.593 . 3.434 3.094 2.413 3.719 0.285 19 0 "[ . 1 . 2]" 1
950 1 66 GLU HB2 1 66 GLU HG2 2.599 . 3.443 2.799 2.470 3.008 . 0 0 "[ . 1 . 2]" 1
951 1 66 GLU HB3 1 67 LEU H 2.731 . 3.663 3.824 3.629 4.202 0.539 7 3 "[ . + 1 -*. 2]" 1
952 1 67 LEU H 1 67 LEU HA 2.465 . 3.224 2.823 2.789 2.853 . 0 0 "[ . 1 . 2]" 1
953 1 67 LEU H 1 67 LEU HB2 2.234 . 2.858 2.275 2.058 2.684 . 0 0 "[ . 1 . 2]" 1
954 1 67 LEU H 1 67 LEU HB3 2.243 . 2.872 2.688 2.246 2.930 0.058 14 0 "[ . 1 . 2]" 1
955 1 67 LEU H 1 67 LEU QD 2.972 . 4.076 3.703 3.590 3.747 . 0 0 "[ . 1 . 2]" 1
956 1 67 LEU H 1 67 LEU QD 2.861 . 3.884 3.430 3.156 3.595 . 0 0 "[ . 1 . 2]" 1
957 1 67 LEU H 1 68 LEU H 2.513 . 3.303 2.595 2.371 2.770 . 0 0 "[ . 1 . 2]" 1
958 1 67 LEU HA 1 67 LEU HB2 2.188 . 2.786 2.585 2.370 2.720 . 0 0 "[ . 1 . 2]" 1
959 1 67 LEU HA 1 67 LEU HB3 2.247 . 2.878 2.982 2.942 3.010 0.132 7 0 "[ . 1 . 2]" 1
960 1 67 LEU HA 1 67 LEU HG 2.628 . 3.491 2.676 2.392 3.645 0.154 9 0 "[ . 1 . 2]" 1
961 1 67 LEU HB2 1 67 LEU QD 2.054 . 2.581 2.220 2.108 2.467 . 0 0 "[ . 1 . 2]" 1
962 1 67 LEU HB2 1 67 LEU HG 2.131 . 2.698 2.563 2.296 3.013 0.315 15 0 "[ . 1 . 2]" 1
963 1 67 LEU HB2 1 68 LEU H 2.723 . 3.650 3.478 3.239 3.785 0.135 19 0 "[ . 1 . 2]" 1
964 1 67 LEU HB3 1 67 LEU QD 3.689 . 5.390 2.141 2.106 2.246 . 0 0 "[ . 1 . 2]" 1
965 1 67 LEU HB3 1 68 LEU H 2.583 . 3.417 2.355 2.126 2.750 . 0 0 "[ . 1 . 2]" 1
966 1 68 LEU H 1 68 LEU HA 2.566 . 3.389 2.817 2.772 2.847 . 0 0 "[ . 1 . 2]" 1
967 1 68 LEU H 1 68 LEU HB2 2.173 . 2.763 2.175 2.021 2.595 . 0 0 "[ . 1 . 2]" 1
968 1 68 LEU H 1 68 LEU HB3 2.657 . 3.539 3.419 2.815 3.613 0.074 14 0 "[ . 1 . 2]" 1
969 1 68 LEU H 1 68 LEU QD 2.574 . 3.402 2.408 1.838 3.268 0.012 13 0 "[ . 1 . 2]" 1
970 1 68 LEU H 1 68 LEU HG 2.972 . 4.076 3.977 2.100 4.411 0.335 19 0 "[ . 1 . 2]" 1
971 1 68 LEU H 1 69 ASN H 2.711 . 3.629 2.648 2.561 2.780 . 0 0 "[ . 1 . 2]" 1
972 1 68 LEU H 1 71 THR MG 3.172 . 4.430 4.392 4.058 4.709 0.279 4 0 "[ . 1 . 2]" 1
973 1 68 LEU HA 1 68 LEU HB3 2.147 . 2.723 2.660 2.410 2.967 0.244 19 0 "[ . 1 . 2]" 1
974 1 68 LEU HA 1 68 LEU QD 1.658 . 2.001 1.968 1.836 2.031 0.030 4 0 "[ . 1 . 2]" 1
975 1 68 LEU HA 1 69 ASN H 2.815 . 3.805 3.387 3.271 3.534 . 0 0 "[ . 1 . 2]" 1
976 1 68 LEU HA 1 70 LYS H 2.790 . 3.763 3.521 3.272 3.956 0.193 4 0 "[ . 1 . 2]" 1
977 1 68 LEU HB2 1 68 LEU QD 1.882 . 2.325 2.129 2.076 2.308 . 0 0 "[ . 1 . 2]" 1
978 1 68 LEU HB2 1 69 ASN H 2.682 . 3.581 3.364 2.935 3.599 0.018 10 0 "[ . 1 . 2]" 1
979 1 68 LEU HB3 1 68 LEU QD 1.928 . 2.393 2.386 2.131 2.483 0.090 14 0 "[ . 1 . 2]" 1
980 1 68 LEU HB3 1 69 ASN H 2.960 . 4.056 3.766 2.509 4.143 0.087 15 0 "[ . 1 . 2]" 1
981 1 68 LEU QD 1 69 ASN H 3.125 . 4.346 4.057 3.677 4.176 . 0 0 "[ . 1 . 2]" 1
982 1 68 LEU QD 1 70 LYS H 3.456 . 4.949 4.626 4.398 4.830 . 0 0 "[ . 1 . 2]" 1
983 1 69 ASN H 1 69 ASN HA 2.653 . 3.533 2.912 2.848 2.943 . 0 0 "[ . 1 . 2]" 1
984 1 69 ASN H 1 69 ASN HB2 2.339 . 3.023 2.673 2.436 2.999 . 0 0 "[ . 1 . 2]" 1
985 1 69 ASN H 1 69 ASN HB3 2.318 . 2.990 2.571 2.456 2.739 . 0 0 "[ . 1 . 2]" 1
986 1 69 ASN H 1 70 LYS H 2.522 . 3.317 2.253 1.866 2.602 . 0 0 "[ . 1 . 2]" 1
987 1 69 ASN HA 1 69 ASN HB2 2.426 . 3.162 2.513 2.455 2.624 . 0 0 "[ . 1 . 2]" 1
988 1 69 ASN HA 1 69 ASN HB3 2.330 . 3.009 3.025 3.010 3.031 0.022 2 0 "[ . 1 . 2]" 1
989 1 69 ASN HA 1 70 LYS H 2.494 . 3.272 3.276 3.199 3.340 0.068 4 0 "[ . 1 . 2]" 1
990 1 69 ASN HB3 1 70 LYS H 3.028 . 4.174 3.411 3.192 3.558 . 0 0 "[ . 1 . 2]" 1
991 1 70 LYS H 1 70 LYS HA 2.586 . 3.422 2.829 2.198 2.941 . 0 0 "[ . 1 . 2]" 1
992 1 70 LYS H 1 70 LYS HB2 2.271 . 2.916 2.684 2.458 3.370 0.454 20 0 "[ . 1 . 2]" 1
993 1 70 LYS H 1 70 LYS HG3 2.605 . 3.453 3.038 2.370 4.251 0.798 12 2 "[ . - + . 2]" 1
994 1 70 LYS HA 1 70 LYS QB 1.977 . 2.465 2.390 2.303 2.471 0.006 19 0 "[ . 1 . 2]" 1
995 1 70 LYS HA 1 70 LYS HG3 2.162 . 2.746 2.959 2.602 3.740 0.994 10 4 "[*- . + * . 2]" 1
996 1 70 LYS HA 1 71 THR H 2.094 . 2.642 2.675 2.126 2.933 0.291 8 0 "[ . 1 . 2]" 1
997 1 70 LYS QB 1 71 THR HA 3.487 . 5.007 4.284 3.685 4.513 . 0 0 "[ . 1 . 2]" 1
998 1 71 THR H 1 71 THR HA 2.396 . 3.114 2.866 2.281 2.942 . 0 0 "[ . 1 . 2]" 1
999 1 71 THR H 1 71 THR HB 2.851 . 3.867 3.593 3.003 3.881 0.014 4 0 "[ . 1 . 2]" 1
1000 1 71 THR H 1 71 THR MG 2.899 . 3.949 2.844 2.308 3.793 . 0 0 "[ . 1 . 2]" 1
1001 1 71 THR HA 1 71 THR MG 2.380 . 3.088 2.646 2.181 3.217 0.129 12 0 "[ . 1 . 2]" 1
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