NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
569108 |
2md7   |
19472 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2md7
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 743
_Distance_constraint_stats_list.Viol_count 314
_Distance_constraint_stats_list.Viol_total 1848.062
_Distance_constraint_stats_list.Viol_max 1.924
_Distance_constraint_stats_list.Viol_rms 0.0610
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0062
_Distance_constraint_stats_list.Viol_average_violations_only 0.2943
_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 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 MET 1.673 0.260 2 0 "[ . 1 . 2]"
1 4 GLY 1.673 0.260 2 0 "[ . 1 . 2]"
1 5 MET 0.784 0.555 11 1 "[ . 1+ . 2]"
1 6 ARG 10.942 0.769 10 8 "[ * .*** +* * - 2]"
1 7 ASN 0.971 0.793 11 1 "[ . 1+ . 2]"
1 8 LEU 5.152 1.261 11 4 "[ . * *+ - 2]"
1 9 ASP 0.186 0.178 11 0 "[ . 1 . 2]"
1 10 GLU 0.982 0.793 11 1 "[ . 1+ . 2]"
1 11 CYS 0.189 0.113 3 0 "[ . 1 . 2]"
1 12 GLU 5.457 0.855 15 3 "[ . 1 -*+ 2]"
1 13 VAL 7.853 0.855 15 3 "[ . 1 -*+ 2]"
1 14 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ARG 7.852 0.756 1 9 "[+* ** -* * *. *2]"
1 16 ASP 7.587 0.756 1 9 "[+* ** -* * *. *2]"
1 17 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLY 1.564 0.293 20 0 "[ . 1 . 2]"
1 19 GLU 1.664 0.671 19 1 "[ . 1 . +2]"
1 20 LEU 6.719 1.924 9 3 "[ . **+1 . 2]"
1 21 PHE 3.116 1.341 14 2 "[ . 1 +. -2]"
1 22 CYS 2.881 0.828 13 2 "[ . -1 + . 2]"
1 23 CYS 3.329 0.504 12 1 "[ . 1 + . 2]"
1 24 ASP 1.191 0.355 9 0 "[ . 1 . 2]"
1 25 THR 2.244 1.558 18 1 "[ . 1 . + 2]"
1 26 CYS 1.140 0.828 13 1 "[ . 1 + . 2]"
1 27 SER 1.908 0.578 13 2 "[ .- 1 + . 2]"
1 28 ARG 1.558 1.558 18 1 "[ . 1 . + 2]"
1 29 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 PHE 0.564 0.290 3 0 "[ . 1 . 2]"
1 31 HIS 2.691 1.261 11 1 "[ . 1+ . 2]"
1 32 GLU 2.728 0.627 19 1 "[ . 1 . +2]"
1 33 ASP 4.182 1.704 18 4 "[ . * 1 . *+-2]"
1 34 CYS 2.005 0.736 9 1 "[ . +1 . 2]"
1 35 HIS 5.400 1.924 9 3 "[ . -*+1 . 2]"
1 36 ILE 6.437 1.704 18 6 "[ . * *1 * - *+ 2]"
1 37 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 VAL 0.999 0.511 7 1 "[ . + 1 . 2]"
1 40 GLU 5.229 0.731 3 3 "[ + * 1 - . 2]"
1 41 ALA 7.417 0.983 11 3 "[ . 1+ -* 2]"
1 42 GLU 2.602 0.643 3 1 "[ + . 1 . 2]"
1 43 ARG 9.469 1.341 14 5 "[ . ** +-* 2]"
1 44 THR 5.067 1.204 2 2 "[ + . 1 . -2]"
1 45 PRO 2.374 0.586 19 1 "[ . 1 . +2]"
1 46 TRP 2.499 1.204 2 1 "[ + . 1 . 2]"
1 47 ASN 0.011 0.011 10 0 "[ . 1 . 2]"
1 48 CYS 3.397 0.504 12 1 "[ . 1 + . 2]"
1 49 ILE 2.621 0.700 13 1 "[ . 1 + . 2]"
1 50 PHE 0.678 0.290 3 0 "[ . 1 . 2]"
1 51 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ARG 3.211 0.700 13 1 "[ . 1 + . 2]"
1 53 MET 0.612 0.521 8 1 "[ . + 1 . 2]"
1 54 LYS 3.712 1.407 7 2 "[ . +- 1 . 2]"
1 55 GLU 2.057 0.462 1 0 "[ . 1 . 2]"
1 56 SER 2.087 1.407 7 1 "[ . + 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 GLY HA3 1 2 ALA H 4.869 . 7.832 2.723 2.135 3.551 . 0 0 "[ . 1 . 2]" 1
2 1 2 ALA H 1 2 ALA MB 4.339 . 6.692 2.624 2.237 2.950 . 0 0 "[ . 1 . 2]" 1
3 1 2 ALA HA 1 2 ALA MB 2.451 . 3.202 2.130 2.123 2.134 . 0 0 "[ . 1 . 2]" 1
4 1 2 ALA HA 1 3 MET H 3.044 . 4.203 3.049 2.494 3.558 . 0 0 "[ . 1 . 2]" 1
5 1 2 ALA HA 1 3 MET QB 3.832 . 5.668 4.779 3.833 5.493 . 0 0 "[ . 1 . 2]" 1
6 1 2 ALA MB 1 3 MET H 4.218 . 6.442 3.298 2.011 3.718 . 0 0 "[ . 1 . 2]" 1
7 1 3 MET H 1 3 MET QB 3.388 . 4.823 2.672 2.339 2.997 . 0 0 "[ . 1 . 2]" 1
8 1 3 MET H 1 3 MET QG 4.240 . 6.487 3.825 2.699 4.310 . 0 0 "[ . 1 . 2]" 1
9 1 3 MET HA 1 3 MET QB 2.404 . 3.126 2.255 2.120 2.332 . 0 0 "[ . 1 . 2]" 1
10 1 3 MET HA 1 3 MET HG2 3.010 . 4.142 2.657 2.279 3.053 . 0 0 "[ . 1 . 2]" 1
11 1 3 MET HA 1 4 GLY H 2.766 . 3.723 2.689 2.254 3.312 . 0 0 "[ . 1 . 2]" 1
12 1 3 MET QB 1 4 GLY H 4.036 . 6.072 3.759 2.225 4.048 . 0 0 "[ . 1 . 2]" 1
13 1 3 MET QB 1 4 GLY QA 3.011 . 4.144 4.136 3.448 4.404 0.260 2 0 "[ . 1 . 2]" 1
14 1 3 MET HG2 1 4 GLY H 4.728 . 7.523 4.643 3.914 5.456 . 0 0 "[ . 1 . 2]" 1
15 1 3 MET HG3 1 4 GLY H 4.875 . 7.845 4.608 4.017 5.046 . 0 0 "[ . 1 . 2]" 1
16 1 4 GLY H 1 4 GLY QA 2.626 . 3.488 2.369 2.207 2.502 . 0 0 "[ . 1 . 2]" 1
17 1 4 GLY QA 1 5 MET H 2.467 . 3.228 2.330 2.141 2.750 . 0 0 "[ . 1 . 2]" 1
18 1 5 MET H 1 5 MET HA 2.763 . 3.717 2.884 2.273 2.948 . 0 0 "[ . 1 . 2]" 1
19 1 5 MET H 1 5 MET HB2 2.661 . 3.546 2.825 2.399 3.720 0.174 19 0 "[ . 1 . 2]" 1
20 1 5 MET H 1 5 MET QG 3.282 . 4.628 3.197 1.932 4.240 0.004 5 0 "[ . 1 . 2]" 1
21 1 5 MET HA 1 5 MET HB2 2.854 . 3.872 2.800 2.390 3.031 . 0 0 "[ . 1 . 2]" 1
22 1 5 MET HA 1 6 ARG H 2.329 . 3.007 2.440 2.129 3.562 0.555 11 1 "[ . 1+ . 2]" 1
23 1 5 MET QB 1 6 ARG H 3.592 . 5.205 3.730 2.081 4.052 . 0 0 "[ . 1 . 2]" 1
24 1 5 MET HB2 1 5 MET HG3 2.611 . 3.463 2.584 2.409 3.013 . 0 0 "[ . 1 . 2]" 1
25 1 5 MET QG 1 6 ARG H 4.481 . 6.990 4.311 3.717 4.823 . 0 0 "[ . 1 . 2]" 1
26 1 6 ARG H 1 6 ARG QB 2.556 . 3.373 2.798 2.323 3.361 . 0 0 "[ . 1 . 2]" 1
27 1 6 ARG H 1 6 ARG QD 4.413 . 6.848 4.398 3.391 4.918 . 0 0 "[ . 1 . 2]" 1
28 1 6 ARG H 1 6 ARG QG 2.706 . 3.621 2.974 2.395 4.256 0.635 6 2 "[ .+ - 1 . 2]" 1
29 1 6 ARG H 1 7 ASN H 3.364 . 4.778 3.426 2.729 4.363 . 0 0 "[ . 1 . 2]" 1
30 1 6 ARG HA 1 6 ARG QB 2.478 . 3.246 2.370 2.173 2.438 . 0 0 "[ . 1 . 2]" 1
31 1 6 ARG HA 1 6 ARG QD 2.677 . 3.572 3.552 1.932 4.277 0.705 2 5 "[ + . * * * - 2]" 1
32 1 6 ARG HA 1 6 ARG QG 2.730 . 3.661 2.619 2.365 3.314 . 0 0 "[ . 1 . 2]" 1
33 1 6 ARG HA 1 7 ASN H 2.347 . 3.035 2.433 2.151 2.940 . 0 0 "[ . 1 . 2]" 1
34 1 6 ARG QB 1 6 ARG HD2 2.582 . 3.415 2.501 2.285 3.151 . 0 0 "[ . 1 . 2]" 1
35 1 6 ARG HB2 1 7 ASN H 3.508 . 5.046 4.357 3.143 4.637 . 0 0 "[ . 1 . 2]" 1
36 1 6 ARG HB2 1 8 LEU H 3.974 . 5.948 4.789 2.618 6.001 0.053 6 0 "[ . 1 . 2]" 1
37 1 6 ARG QD 1 6 ARG HG3 2.236 . 2.861 2.129 2.118 2.134 . 0 0 "[ . 1 . 2]" 1
38 1 6 ARG QD 1 8 LEU MD1 3.479 . 4.992 4.338 2.903 5.761 0.769 10 2 "[ . + - 2]" 1
39 1 6 ARG QG 1 7 ASN H 4.564 . 7.167 4.490 4.262 4.816 . 0 0 "[ . 1 . 2]" 1
40 1 7 ASN H 1 7 ASN HB2 3.097 . 4.296 2.765 2.404 3.603 . 0 0 "[ . 1 . 2]" 1
41 1 7 ASN H 1 7 ASN HB3 2.971 . 4.074 2.657 2.456 2.954 . 0 0 "[ . 1 . 2]" 1
42 1 7 ASN HA 1 7 ASN HB2 2.677 . 3.573 2.514 2.434 2.601 . 0 0 "[ . 1 . 2]" 1
43 1 7 ASN HA 1 7 ASN HB3 2.667 . 3.556 2.990 2.382 3.031 . 0 0 "[ . 1 . 2]" 1
44 1 7 ASN HB2 1 7 ASN HD21 4.115 . 6.232 2.866 2.211 3.504 . 0 0 "[ . 1 . 2]" 1
45 1 7 ASN HB2 1 7 ASN HD22 2.987 . 4.102 3.770 3.477 4.070 . 0 0 "[ . 1 . 2]" 1
46 1 7 ASN HB2 1 8 LEU H 3.605 . 5.230 4.429 3.994 4.636 . 0 0 "[ . 1 . 2]" 1
47 1 7 ASN HB3 1 7 ASN HD22 3.503 . 5.037 3.805 3.480 4.080 . 0 0 "[ . 1 . 2]" 1
48 1 7 ASN HB3 1 8 LEU H 3.640 . 5.296 4.080 3.138 4.597 . 0 0 "[ . 1 . 2]" 1
49 1 7 ASN HB3 1 9 ASP H 4.184 . 6.372 5.091 4.560 6.550 0.178 11 0 "[ . 1 . 2]" 1
50 1 7 ASN HD21 1 10 GLU QB 4.137 . 6.276 4.684 3.642 5.710 . 0 0 "[ . 1 . 2]" 1
51 1 7 ASN HD21 1 10 GLU QG 3.699 . 5.410 4.565 3.366 5.224 . 0 0 "[ . 1 . 2]" 1
52 1 7 ASN HD22 1 10 GLU HB2 3.952 . 5.905 4.439 3.248 6.698 0.793 11 1 "[ . 1+ . 2]" 1
53 1 7 ASN HD22 1 10 GLU QG 4.553 . 7.144 3.965 2.814 6.324 . 0 0 "[ . 1 . 2]" 1
54 1 8 LEU H 1 8 LEU HA 2.599 . 3.444 2.875 2.272 2.946 . 0 0 "[ . 1 . 2]" 1
55 1 8 LEU H 1 8 LEU MD1 3.791 . 5.587 3.236 2.526 4.417 . 0 0 "[ . 1 . 2]" 1
56 1 8 LEU H 1 8 LEU HG 1.999 . 2.498 2.143 1.738 3.391 0.893 7 1 "[ . + 1 . 2]" 1
57 1 8 LEU HA 1 8 LEU QD 2.600 . 3.445 3.281 2.150 3.446 0.001 19 0 "[ . 1 . 2]" 1
58 1 8 LEU HA 1 8 LEU MD2 3.634 . 5.285 3.808 2.161 4.071 . 0 0 "[ . 1 . 2]" 1
59 1 8 LEU HA 1 9 ASP H 2.545 . 3.355 3.079 2.658 3.363 0.008 9 0 "[ . 1 . 2]" 1
60 1 8 LEU HA 1 11 CYS H 3.556 . 5.137 3.331 3.041 4.996 . 0 0 "[ . 1 . 2]" 1
61 1 8 LEU QB 1 8 LEU MD2 2.309 . 2.975 2.113 2.069 2.296 . 0 0 "[ . 1 . 2]" 1
62 1 8 LEU QB 1 8 LEU MD2 1.934 . 2.401 1.886 1.867 1.960 . 0 0 "[ . 1 . 2]" 1
63 1 8 LEU QB 1 9 ASP H 2.770 . 3.729 3.282 1.850 3.640 . 0 0 "[ . 1 . 2]" 1
64 1 8 LEU QB 1 10 GLU H 4.266 . 6.541 4.632 2.541 4.946 . 0 0 "[ . 1 . 2]" 1
65 1 8 LEU QB 1 11 CYS HB2 3.720 . 5.450 3.824 3.332 4.641 . 0 0 "[ . 1 . 2]" 1
66 1 8 LEU QB 1 11 CYS HB3 3.644 . 5.304 2.833 2.407 3.442 . 0 0 "[ . 1 . 2]" 1
67 1 8 LEU QB 1 14 CYS HB2 3.975 . 5.950 2.746 2.296 3.676 . 0 0 "[ . 1 . 2]" 1
68 1 8 LEU QB 1 31 HIS HE1 3.454 . 4.945 3.308 2.353 6.206 1.261 11 1 "[ . 1+ . 2]" 1
69 1 8 LEU MD1 1 9 ASP H 3.970 . 5.940 3.556 2.550 5.298 . 0 0 "[ . 1 . 2]" 1
70 1 8 LEU MD1 1 14 CYS HB2 3.967 . 5.934 3.868 2.305 4.594 . 0 0 "[ . 1 . 2]" 1
71 1 8 LEU MD1 1 14 CYS HB3 3.276 . 4.617 3.025 2.094 3.981 . 0 0 "[ . 1 . 2]" 1
72 1 8 LEU MD2 1 8 LEU HG 2.282 . 2.933 2.125 2.121 2.130 . 0 0 "[ . 1 . 2]" 1
73 1 9 ASP H 1 9 ASP HB2 2.267 . 2.909 2.513 2.277 2.695 . 0 0 "[ . 1 . 2]" 1
74 1 9 ASP H 1 10 GLU H 2.471 . 3.234 2.411 2.230 2.770 . 0 0 "[ . 1 . 2]" 1
75 1 9 ASP HA 1 9 ASP HB2 2.732 . 3.665 2.776 2.445 3.027 . 0 0 "[ . 1 . 2]" 1
76 1 9 ASP HA 1 9 ASP QB 2.223 . 2.841 2.384 2.318 2.461 . 0 0 "[ . 1 . 2]" 1
77 1 9 ASP HA 1 9 ASP HB3 2.587 . 3.424 2.743 2.408 3.029 . 0 0 "[ . 1 . 2]" 1
78 1 9 ASP HA 1 10 GLU H 2.899 . 3.950 3.452 3.022 3.525 . 0 0 "[ . 1 . 2]" 1
79 1 9 ASP QB 1 10 GLU H 3.109 . 4.317 2.773 2.583 3.719 . 0 0 "[ . 1 . 2]" 1
80 1 9 ASP QB 1 11 CYS H 4.391 . 6.801 4.347 3.713 4.548 . 0 0 "[ . 1 . 2]" 1
81 1 10 GLU H 1 10 GLU HA 2.764 . 3.719 2.877 2.267 2.934 . 0 0 "[ . 1 . 2]" 1
82 1 10 GLU H 1 10 GLU HB2 2.814 . 3.804 2.770 2.370 3.670 . 0 0 "[ . 1 . 2]" 1
83 1 10 GLU H 1 10 GLU QG 2.600 . 3.445 2.434 1.819 3.015 . 0 0 "[ . 1 . 2]" 1
84 1 10 GLU H 1 11 CYS HB2 3.995 . 5.990 4.264 4.087 4.715 . 0 0 "[ . 1 . 2]" 1
85 1 10 GLU H 1 11 CYS HB3 4.577 . 7.196 4.482 4.387 4.592 . 0 0 "[ . 1 . 2]" 1
86 1 10 GLU HA 1 10 GLU HB3 2.404 . 3.126 2.467 2.417 2.550 . 0 0 "[ . 1 . 2]" 1
87 1 10 GLU HA 1 11 CYS H 2.530 . 3.330 3.163 2.803 3.443 0.113 3 0 "[ . 1 . 2]" 1
88 1 10 GLU QB 1 11 CYS H 3.215 . 4.507 3.508 2.849 3.947 . 0 0 "[ . 1 . 2]" 1
89 1 10 GLU QB 1 11 CYS HA 3.915 . 5.831 4.228 3.998 4.623 . 0 0 "[ . 1 . 2]" 1
90 1 10 GLU QG 1 11 CYS H 3.790 . 5.585 4.128 3.086 4.598 . 0 0 "[ . 1 . 2]" 1
91 1 10 GLU HG2 1 11 CYS H 3.646 . 5.307 4.670 3.275 5.249 . 0 0 "[ . 1 . 2]" 1
92 1 11 CYS H 1 11 CYS HA 2.779 . 3.744 2.922 2.820 2.937 . 0 0 "[ . 1 . 2]" 1
93 1 11 CYS H 1 11 CYS HB2 2.387 . 3.099 2.762 2.436 2.871 . 0 0 "[ . 1 . 2]" 1
94 1 11 CYS H 1 11 CYS HB3 2.384 . 3.094 2.522 2.346 2.609 . 0 0 "[ . 1 . 2]" 1
95 1 11 CYS H 1 12 GLU H 3.830 . 5.664 4.015 3.930 4.294 . 0 0 "[ . 1 . 2]" 1
96 1 11 CYS HA 1 11 CYS HB2 2.457 . 3.212 2.488 2.421 2.533 . 0 0 "[ . 1 . 2]" 1
97 1 11 CYS HA 1 12 GLU H 2.184 . 2.780 2.211 2.162 2.293 . 0 0 "[ . 1 . 2]" 1
98 1 11 CYS HA 1 13 VAL H 3.367 . 4.784 3.503 3.298 3.846 . 0 0 "[ . 1 . 2]" 1
99 1 11 CYS HB2 1 12 GLU H 4.265 . 6.538 4.536 4.466 4.598 . 0 0 "[ . 1 . 2]" 1
100 1 11 CYS HB2 1 13 VAL H 4.130 . 6.262 5.084 4.653 5.307 . 0 0 "[ . 1 . 2]" 1
101 1 11 CYS HB2 1 13 VAL QG 3.985 . 5.970 4.290 4.011 5.250 . 0 0 "[ . 1 . 2]" 1
102 1 11 CYS HB2 1 31 HIS HD2 3.350 . 4.753 2.583 2.181 2.981 . 0 0 "[ . 1 . 2]" 1
103 1 11 CYS HB3 1 12 GLU H 4.163 . 6.329 4.420 4.385 4.470 . 0 0 "[ . 1 . 2]" 1
104 1 11 CYS HB3 1 13 VAL H 3.575 . 5.173 4.631 4.343 4.794 . 0 0 "[ . 1 . 2]" 1
105 1 12 GLU H 1 12 GLU HA 2.888 . 3.931 2.805 2.755 2.830 . 0 0 "[ . 1 . 2]" 1
106 1 12 GLU H 1 12 GLU QB 2.546 . 3.356 2.413 2.163 2.693 . 0 0 "[ . 1 . 2]" 1
107 1 12 GLU H 1 12 GLU QG 3.014 . 4.150 2.471 1.810 4.030 0.068 1 0 "[ . 1 . 2]" 1
108 1 12 GLU H 1 13 VAL H 2.449 . 3.199 2.631 2.545 2.806 . 0 0 "[ . 1 . 2]" 1
109 1 12 GLU H 1 13 VAL HA 4.801 . 7.682 5.201 5.096 5.364 . 0 0 "[ . 1 . 2]" 1
110 1 12 GLU H 1 13 VAL HB 4.636 . 7.323 5.057 4.840 5.251 . 0 0 "[ . 1 . 2]" 1
111 1 12 GLU H 1 13 VAL QG 4.239 . 6.485 3.706 3.591 3.848 . 0 0 "[ . 1 . 2]" 1
112 1 12 GLU H 1 14 CYS H 3.774 . 5.554 4.258 4.103 4.542 . 0 0 "[ . 1 . 2]" 1
113 1 12 GLU HA 1 12 GLU HB2 2.871 . 3.901 2.938 2.472 3.020 . 0 0 "[ . 1 . 2]" 1
114 1 12 GLU HA 1 12 GLU QB 2.146 . 2.722 2.371 2.283 2.430 . 0 0 "[ . 1 . 2]" 1
115 1 12 GLU HA 1 12 GLU HB3 2.479 . 3.247 2.557 2.366 3.019 . 0 0 "[ . 1 . 2]" 1
116 1 12 GLU HA 1 12 GLU QG 2.872 . 3.903 2.748 2.348 3.161 . 0 0 "[ . 1 . 2]" 1
117 1 12 GLU HA 1 13 VAL H 3.172 . 4.430 3.480 3.429 3.524 . 0 0 "[ . 1 . 2]" 1
118 1 12 GLU HA 1 14 CYS H 3.911 . 5.823 4.246 4.014 4.645 . 0 0 "[ . 1 . 2]" 1
119 1 12 GLU HA 1 15 ARG H 2.722 . 3.648 3.313 3.007 3.837 0.189 1 0 "[ . 1 . 2]" 1
120 1 12 GLU HA 1 15 ARG QD 3.050 . 4.213 2.739 1.888 4.475 0.262 4 0 "[ . 1 . 2]" 1
121 1 12 GLU HA 1 15 ARG HG3 3.578 . 5.178 3.778 2.577 5.162 . 0 0 "[ . 1 . 2]" 1
122 1 12 GLU HB2 1 13 VAL H 2.723 . 3.650 3.012 2.489 3.983 0.333 15 0 "[ . 1 . 2]" 1
123 1 12 GLU HB2 1 13 VAL HA 3.333 . 4.722 4.465 3.874 5.577 0.855 15 3 "[ . 1 *-+ 2]" 1
124 1 12 GLU HB2 1 13 VAL QG 3.189 . 4.460 4.202 3.441 5.075 0.615 15 3 "[ . 1 -*+ 2]" 1
125 1 12 GLU QG 1 13 VAL H 4.450 . 6.925 4.101 3.675 4.429 . 0 0 "[ . 1 . 2]" 1
126 1 12 GLU QG 1 13 VAL QG 3.750 . 5.508 4.891 4.488 5.273 . 0 0 "[ . 1 . 2]" 1
127 1 13 VAL H 1 13 VAL HA 2.686 . 3.588 2.829 2.797 2.844 . 0 0 "[ . 1 . 2]" 1
128 1 13 VAL H 1 13 VAL HB 2.190 . 2.790 2.647 2.500 2.735 . 0 0 "[ . 1 . 2]" 1
129 1 13 VAL H 1 13 VAL QG 2.195 . 2.797 1.926 1.848 2.129 0.107 15 0 "[ . 1 . 2]" 1
130 1 13 VAL H 1 14 CYS H 2.345 . 3.032 2.603 2.551 2.688 . 0 0 "[ . 1 . 2]" 1
131 1 13 VAL H 1 14 CYS H 2.220 . 2.836 2.286 2.246 2.353 . 0 0 "[ . 1 . 2]" 1
132 1 13 VAL HA 1 13 VAL HB 2.575 . 3.404 2.471 2.380 3.016 . 0 0 "[ . 1 . 2]" 1
133 1 13 VAL HA 1 13 VAL QG 2.250 . 2.883 2.297 2.090 2.360 . 0 0 "[ . 1 . 2]" 1
134 1 13 VAL HA 1 14 CYS H 3.372 . 4.793 3.526 3.480 3.578 . 0 0 "[ . 1 . 2]" 1
135 1 13 VAL HA 1 15 ARG H 3.634 . 5.285 4.044 3.932 4.268 . 0 0 "[ . 1 . 2]" 1
136 1 13 VAL HA 1 16 ASP H 3.007 . 4.137 3.099 2.944 3.393 . 0 0 "[ . 1 . 2]" 1
137 1 13 VAL HA 1 16 ASP HB2 2.609 . 3.460 2.813 2.270 3.553 0.093 3 0 "[ . 1 . 2]" 1
138 1 13 VAL HA 1 16 ASP HB3 4.207 . 6.419 3.408 2.251 4.472 . 0 0 "[ . 1 . 2]" 1
139 1 13 VAL HB 1 13 VAL QG 2.121 . 2.384 1.888 1.886 1.892 . 0 0 "[ . 1 . 2]" 1
140 1 13 VAL HB 1 14 CYS H 2.507 . 6.000 3.954 2.432 4.209 . 0 0 "[ . 1 . 2]" 1
141 1 13 VAL HB 1 15 ARG H 4.014 . 6.028 5.598 4.691 5.904 . 0 0 "[ . 1 . 2]" 1
142 1 13 VAL MG1 1 13 VAL MG2 1.779 . 2.175 2.074 2.069 2.084 . 0 0 "[ . 1 . 2]" 1
143 1 13 VAL QG 1 14 CYS H 2.971 . 4.074 2.382 2.022 3.144 . 0 0 "[ . 1 . 2]" 1
144 1 13 VAL QG 1 14 CYS HA 3.516 . 5.061 3.275 3.172 3.518 . 0 0 "[ . 1 . 2]" 1
145 1 13 VAL QG 1 15 ARG H 4.263 . 6.534 4.112 3.922 4.489 . 0 0 "[ . 1 . 2]" 1
146 1 13 VAL QG 1 16 ASP H 4.095 . 6.191 4.100 4.004 4.316 . 0 0 "[ . 1 . 2]" 1
147 1 13 VAL QG 1 16 ASP HB2 3.978 . 5.956 3.723 2.957 4.563 . 0 0 "[ . 1 . 2]" 1
148 1 13 VAL QG 1 17 GLY H 4.839 . 7.766 4.465 4.208 4.706 . 0 0 "[ . 1 . 2]" 1
149 1 13 VAL QG 1 18 GLY H 3.178 . 4.440 3.018 2.852 3.130 . 0 0 "[ . 1 . 2]" 1
150 1 13 VAL QG 1 18 GLY HA2 3.173 . 4.431 3.168 2.035 3.326 . 0 0 "[ . 1 . 2]" 1
151 1 13 VAL QG 1 18 GLY HA3 2.137 . 2.708 1.983 1.861 3.001 0.293 20 0 "[ . 1 . 2]" 1
152 1 13 VAL QG 1 19 GLU H 3.758 . 5.523 3.879 3.422 4.408 . 0 0 "[ . 1 . 2]" 1
153 1 13 VAL QG 1 32 GLU HA 3.474 . 4.983 4.307 3.767 5.196 0.213 7 0 "[ . 1 . 2]" 1
154 1 13 VAL QG 1 35 HIS HB2 3.453 . 4.943 2.643 2.241 3.134 . 0 0 "[ . 1 . 2]" 1
155 1 13 VAL QG 1 35 HIS HB3 2.839 . 3.846 2.084 1.926 2.295 . 0 0 "[ . 1 . 2]" 1
156 1 13 VAL QG 1 35 HIS HD1 3.029 . 4.176 2.477 1.990 2.667 . 0 0 "[ . 1 . 2]" 1
157 1 13 VAL QG 1 35 HIS HD2 4.055 . 6.111 3.640 3.424 4.361 . 0 0 "[ . 1 . 2]" 1
158 1 13 VAL QG 1 35 HIS HE1 3.454 . 4.945 3.444 3.245 3.644 . 0 0 "[ . 1 . 2]" 1
159 1 14 CYS H 1 14 CYS HA 2.876 . 3.910 2.836 2.819 2.855 . 0 0 "[ . 1 . 2]" 1
160 1 14 CYS H 1 14 CYS HB2 2.183 . 2.779 2.174 2.126 2.277 . 0 0 "[ . 1 . 2]" 1
161 1 14 CYS H 1 14 CYS HB3 3.526 . 5.080 3.463 3.387 3.562 . 0 0 "[ . 1 . 2]" 1
162 1 14 CYS H 1 15 ARG H 2.524 . 3.321 2.533 2.479 2.605 . 0 0 "[ . 1 . 2]" 1
163 1 14 CYS H 1 15 ARG HA 4.616 . 7.279 5.182 5.128 5.250 . 0 0 "[ . 1 . 2]" 1
164 1 14 CYS H 1 15 ARG QB 4.440 . 6.904 4.456 4.196 4.684 . 0 0 "[ . 1 . 2]" 1
165 1 14 CYS H 1 16 ASP H 4.112 . 6.226 4.019 3.835 4.226 . 0 0 "[ . 1 . 2]" 1
166 1 14 CYS HA 1 14 CYS HB2 2.650 . 3.528 2.941 2.909 2.985 . 0 0 "[ . 1 . 2]" 1
167 1 14 CYS HA 1 14 CYS HB3 2.463 . 3.222 2.723 2.640 2.780 . 0 0 "[ . 1 . 2]" 1
168 1 14 CYS HA 1 15 ARG H 3.072 . 4.251 3.473 3.450 3.515 . 0 0 "[ . 1 . 2]" 1
169 1 14 CYS HA 1 16 ASP H 3.688 . 5.388 4.251 4.065 4.418 . 0 0 "[ . 1 . 2]" 1
170 1 14 CYS HA 1 18 GLY H 2.886 . 3.927 2.871 2.496 3.125 . 0 0 "[ . 1 . 2]" 1
171 1 14 CYS HA 1 35 HIS HE1 2.912 . 3.972 3.491 3.078 3.850 . 0 0 "[ . 1 . 2]" 1
172 1 14 CYS HB2 1 15 ARG H 2.595 . 3.437 3.008 2.882 3.174 . 0 0 "[ . 1 . 2]" 1
173 1 14 CYS HB3 1 15 ARG H 2.907 . 3.963 3.315 3.072 3.501 . 0 0 "[ . 1 . 2]" 1
174 1 15 ARG H 1 15 ARG HA 2.581 . 3.414 2.838 2.819 2.863 . 0 0 "[ . 1 . 2]" 1
175 1 15 ARG H 1 16 ASP H 2.495 . 3.273 2.527 2.394 2.616 . 0 0 "[ . 1 . 2]" 1
176 1 15 ARG H 1 16 ASP HB2 4.403 . 6.826 4.732 4.496 5.132 . 0 0 "[ . 1 . 2]" 1
177 1 15 ARG HA 1 15 ARG QB 2.191 . 2.791 2.360 2.309 2.402 . 0 0 "[ . 1 . 2]" 1
178 1 15 ARG HA 1 15 ARG QD 4.104 . 6.209 4.090 3.862 4.254 . 0 0 "[ . 1 . 2]" 1
179 1 15 ARG HA 1 15 ARG HG2 2.733 . 3.666 2.816 2.410 3.160 . 0 0 "[ . 1 . 2]" 1
180 1 15 ARG HA 1 15 ARG HG3 2.790 . 3.763 2.879 2.582 3.238 . 0 0 "[ . 1 . 2]" 1
181 1 15 ARG HA 1 16 ASP H 3.170 . 4.426 3.497 3.460 3.538 . 0 0 "[ . 1 . 2]" 1
182 1 15 ARG HA 1 16 ASP HA 4.064 . 6.129 4.730 4.671 4.782 . 0 0 "[ . 1 . 2]" 1
183 1 15 ARG HA 1 16 ASP HB3 4.740 . 7.548 6.231 5.698 6.622 . 0 0 "[ . 1 . 2]" 1
184 1 15 ARG HA 1 17 GLY H 3.235 . 4.543 3.576 3.328 3.769 . 0 0 "[ . 1 . 2]" 1
185 1 15 ARG QB 1 15 ARG HD2 2.365 . 3.064 2.390 2.107 2.972 . 0 0 "[ . 1 . 2]" 1
186 1 15 ARG QB 1 17 GLY H 4.190 . 6.384 4.352 4.277 4.428 . 0 0 "[ . 1 . 2]" 1
187 1 15 ARG HB3 1 16 ASP H 2.418 . 3.149 3.279 2.498 3.905 0.756 1 9 "[+* ** -* * *. *2]" 1
188 1 15 ARG QD 1 15 ARG HG2 2.356 . 3.050 2.313 2.162 2.382 . 0 0 "[ . 1 . 2]" 1
189 1 15 ARG QD 1 15 ARG HG3 2.161 . 2.745 2.299 2.168 2.448 . 0 0 "[ . 1 . 2]" 1
190 1 15 ARG QD 1 16 ASP H 3.684 . 5.380 4.672 4.392 5.487 0.107 4 0 "[ . 1 . 2]" 1
191 1 15 ARG HG3 1 16 ASP H 3.501 . 5.033 4.444 4.009 4.868 . 0 0 "[ . 1 . 2]" 1
192 1 16 ASP H 1 16 ASP HA 2.789 . 3.761 2.851 2.823 2.875 . 0 0 "[ . 1 . 2]" 1
193 1 16 ASP H 1 16 ASP HB2 2.217 . 2.832 2.433 2.254 2.697 . 0 0 "[ . 1 . 2]" 1
194 1 16 ASP H 1 16 ASP HB3 3.339 . 4.732 3.075 2.398 3.606 . 0 0 "[ . 1 . 2]" 1
195 1 16 ASP H 1 17 GLY H 2.464 . 3.223 2.622 2.528 2.714 . 0 0 "[ . 1 . 2]" 1
196 1 16 ASP H 1 18 GLY H 3.161 . 4.410 3.741 3.632 3.919 . 0 0 "[ . 1 . 2]" 1
197 1 16 ASP HA 1 16 ASP HB3 2.628 . 3.491 2.781 2.484 3.030 . 0 0 "[ . 1 . 2]" 1
198 1 16 ASP HA 1 17 GLY H 3.112 . 4.323 3.307 3.211 3.399 . 0 0 "[ . 1 . 2]" 1
199 1 16 ASP HB2 1 17 GLY H 3.616 . 5.251 3.900 3.425 4.327 . 0 0 "[ . 1 . 2]" 1
200 1 16 ASP HB2 1 18 GLY H 3.486 . 5.005 4.099 3.158 4.947 . 0 0 "[ . 1 . 2]" 1
201 1 16 ASP HB3 1 17 GLY H 4.024 . 6.048 3.773 3.228 4.216 . 0 0 "[ . 1 . 2]" 1
202 1 16 ASP HB3 1 18 GLY H 4.035 . 6.070 3.773 3.075 4.420 . 0 0 "[ . 1 . 2]" 1
203 1 17 GLY H 1 17 GLY HA2 2.305 . 2.969 2.349 2.304 2.547 . 0 0 "[ . 1 . 2]" 1
204 1 17 GLY H 1 17 GLY HA3 2.908 . 3.965 2.904 2.851 2.950 . 0 0 "[ . 1 . 2]" 1
205 1 17 GLY H 1 18 GLY H 2.439 . 3.183 2.356 2.166 2.645 . 0 0 "[ . 1 . 2]" 1
206 1 17 GLY H 1 18 GLY HA3 4.492 . 7.014 4.593 4.188 4.777 . 0 0 "[ . 1 . 2]" 1
207 1 17 GLY HA2 1 18 GLY H 3.247 . 4.565 3.028 2.933 3.501 . 0 0 "[ . 1 . 2]" 1
208 1 18 GLY H 1 18 GLY HA2 2.725 . 3.653 2.783 2.299 2.843 . 0 0 "[ . 1 . 2]" 1
209 1 18 GLY H 1 18 GLY HA3 2.198 . 2.802 2.310 2.278 2.733 . 0 0 "[ . 1 . 2]" 1
210 1 18 GLY H 1 19 GLU H 3.376 . 4.800 4.037 3.454 4.096 . 0 0 "[ . 1 . 2]" 1
211 1 18 GLY HA2 1 19 GLU H 2.118 . 2.679 2.275 2.103 2.431 . 0 0 "[ . 1 . 2]" 1
212 1 18 GLY HA3 1 19 GLU H 2.598 . 3.442 2.870 2.641 3.485 0.043 20 0 "[ . 1 . 2]" 1
213 1 18 GLY HA3 1 35 HIS HE1 3.577 . 5.176 4.385 2.567 4.925 . 0 0 "[ . 1 . 2]" 1
214 1 19 GLU H 1 19 GLU HB2 2.203 . 2.810 2.389 2.127 2.531 . 0 0 "[ . 1 . 2]" 1
215 1 19 GLU H 1 19 GLU HB3 3.409 . 4.862 3.610 3.439 3.699 . 0 0 "[ . 1 . 2]" 1
216 1 19 GLU H 1 19 GLU QG 3.246 . 4.563 2.783 2.267 3.618 . 0 0 "[ . 1 . 2]" 1
217 1 19 GLU H 1 35 HIS HD1 3.919 . 5.838 4.018 3.281 4.752 . 0 0 "[ . 1 . 2]" 1
218 1 19 GLU HA 1 19 GLU HB3 2.724 . 3.651 2.536 2.434 2.727 . 0 0 "[ . 1 . 2]" 1
219 1 19 GLU HA 1 19 GLU QG 2.707 . 3.623 2.543 2.363 2.908 . 0 0 "[ . 1 . 2]" 1
220 1 19 GLU HA 1 20 LEU H 2.115 . 2.674 2.268 2.148 2.404 . 0 0 "[ . 1 . 2]" 1
221 1 19 GLU HA 1 21 PHE QE 4.658 . 7.370 5.565 5.184 5.755 . 0 0 "[ . 1 . 2]" 1
222 1 19 GLU HB2 1 20 LEU H 3.763 . 5.533 3.895 3.527 4.289 . 0 0 "[ . 1 . 2]" 1
223 1 19 GLU HB2 1 21 PHE QE 3.421 . 4.884 3.406 3.039 3.663 . 0 0 "[ . 1 . 2]" 1
224 1 19 GLU HB2 1 21 PHE QE 3.476 . 4.987 2.939 2.704 3.145 . 0 0 "[ . 1 . 2]" 1
225 1 19 GLU HB2 1 21 PHE HZ 3.148 . 4.387 3.263 2.829 3.661 . 0 0 "[ . 1 . 2]" 1
226 1 19 GLU HB3 1 19 GLU QG 3.011 . 4.144 2.352 2.161 2.437 . 0 0 "[ . 1 . 2]" 1
227 1 19 GLU HB3 1 21 PHE QE 3.559 . 5.142 3.933 3.388 4.398 . 0 0 "[ . 1 . 2]" 1
228 1 19 GLU HB3 1 21 PHE QE 3.528 . 5.084 3.584 2.870 4.009 . 0 0 "[ . 1 . 2]" 1
229 1 19 GLU HB3 1 21 PHE HZ 3.234 . 4.542 4.191 3.100 5.213 0.671 19 1 "[ . 1 . +2]" 1
230 1 19 GLU QG 1 20 LEU H 4.149 . 6.300 3.997 3.456 4.680 . 0 0 "[ . 1 . 2]" 1
231 1 19 GLU QG 1 21 PHE QE 4.609 . 7.265 4.669 4.129 5.066 . 0 0 "[ . 1 . 2]" 1
232 1 19 GLU QG 1 21 PHE HZ 4.350 . 6.715 4.565 3.690 5.070 . 0 0 "[ . 1 . 2]" 1
233 1 20 LEU H 1 20 LEU HB2 2.310 . 2.977 2.357 2.231 3.122 0.145 9 0 "[ . 1 . 2]" 1
234 1 20 LEU H 1 20 LEU HB3 3.343 . 4.740 3.516 2.666 3.595 . 0 0 "[ . 1 . 2]" 1
235 1 20 LEU H 1 20 LEU QD 4.525 . 6.127 3.528 3.354 3.964 . 0 0 "[ . 1 . 2]" 1
236 1 20 LEU H 1 21 PHE HA 4.185 . 6.374 5.029 4.667 5.222 . 0 0 "[ . 1 . 2]" 1
237 1 20 LEU H 1 35 HIS HD1 4.594 . 7.232 5.250 4.852 6.000 . 0 0 "[ . 1 . 2]" 1
238 1 20 LEU HA 1 20 LEU HB2 2.791 . 3.765 2.967 2.455 3.002 . 0 0 "[ . 1 . 2]" 1
239 1 20 LEU HA 1 20 LEU HB3 2.274 . 2.921 2.627 2.583 3.022 0.101 9 0 "[ . 1 . 2]" 1
240 1 20 LEU HA 1 20 LEU QD 2.406 . 3.130 2.115 2.073 2.168 . 0 0 "[ . 1 . 2]" 1
241 1 20 LEU HA 1 20 LEU HG 2.893 . 3.939 2.762 2.677 3.103 . 0 0 "[ . 1 . 2]" 1
242 1 20 LEU HA 1 21 PHE H 2.301 . 2.963 2.183 2.133 2.221 . 0 0 "[ . 1 . 2]" 1
243 1 20 LEU HA 1 21 PHE QD 3.990 . 5.980 3.934 3.476 4.273 . 0 0 "[ . 1 . 2]" 1
244 1 20 LEU HA 1 22 CYS H 4.051 . 6.102 3.905 3.760 4.126 . 0 0 "[ . 1 . 2]" 1
245 1 20 LEU HA 1 35 HIS HA 2.867 . 3.894 3.600 3.067 5.004 1.110 8 2 "[ . -+ 1 . 2]" 1
246 1 20 LEU HA 1 35 HIS HD1 3.340 . 4.734 4.041 3.778 4.612 . 0 0 "[ . 1 . 2]" 1
247 1 20 LEU HA 1 35 HIS HE1 4.061 . 6.123 4.295 3.891 4.509 . 0 0 "[ . 1 . 2]" 1
248 1 20 LEU HB2 1 20 LEU QD . . 2.933 2.202 2.117 2.224 . 0 0 "[ . 1 . 2]" 1
249 1 20 LEU HB2 1 20 LEU HG 2.669 . 3.560 2.574 2.529 3.020 . 0 0 "[ . 1 . 2]" 1
250 1 20 LEU HB2 1 21 PHE H 4.525 . 7.085 4.272 4.166 4.413 . 0 0 "[ . 1 . 2]" 1
251 1 20 LEU HB2 1 22 CYS H 4.103 . 6.207 3.961 3.719 4.857 . 0 0 "[ . 1 . 2]" 1
252 1 20 LEU HB2 1 35 HIS HE1 4.750 . 7.571 4.963 2.915 5.192 . 0 0 "[ . 1 . 2]" 1
253 1 20 LEU HB3 1 20 LEU QD 2.662 . 3.273 2.102 2.074 2.233 . 0 0 "[ . 1 . 2]" 1
254 1 20 LEU HB3 1 20 LEU QD 2.152 . 2.634 1.766 1.757 1.799 . 0 0 "[ . 1 . 2]" 1
255 1 20 LEU HB3 1 21 PHE H 3.219 . 4.514 3.255 3.030 4.187 . 0 0 "[ . 1 . 2]" 1
256 1 20 LEU HB3 1 22 CYS H 2.591 . 3.430 2.642 2.426 3.993 0.563 9 1 "[ . +1 . 2]" 1
257 1 20 LEU HB3 1 34 CYS QB 3.319 . 4.696 4.027 3.365 5.432 0.736 9 1 "[ . +1 . 2]" 1
258 1 20 LEU HB3 1 35 HIS HE1 4.217 . 6.440 5.420 4.572 5.584 . 0 0 "[ . 1 . 2]" 1
259 1 20 LEU MD1 1 20 LEU MD2 1.996 . 2.494 2.070 2.056 2.080 . 0 0 "[ . 1 . 2]" 1
260 1 20 LEU QD 1 21 PHE H 4.592 . 5.593 3.108 2.526 3.275 . 0 0 "[ . 1 . 2]" 1
261 1 20 LEU QD 1 22 CYS H 4.267 . 6.543 3.532 3.043 3.735 . 0 0 "[ . 1 . 2]" 1
262 1 20 LEU QD 1 27 SER HA 3.873 . 5.748 3.285 3.021 3.488 . 0 0 "[ . 1 . 2]" 1
263 1 20 LEU QD 1 27 SER QB 2.679 . 3.576 2.398 1.897 2.736 . 0 0 "[ . 1 . 2]" 1
264 1 20 LEU QD 1 27 SER HB3 3.124 . 4.344 2.878 1.925 3.492 . 0 0 "[ . 1 . 2]" 1
265 1 20 LEU QD 1 31 HIS HA 3.716 . 5.442 3.242 3.038 3.433 . 0 0 "[ . 1 . 2]" 1
266 1 20 LEU QD 1 31 HIS HD2 4.236 . 6.479 4.807 4.595 5.234 . 0 0 "[ . 1 . 2]" 1
267 1 20 LEU QD 1 31 HIS HE1 3.057 . 3.513 2.450 2.172 2.855 . 0 0 "[ . 1 . 2]" 1
268 1 20 LEU QD 1 34 CYS QB 2.649 . 3.526 2.334 1.987 2.787 . 0 0 "[ . 1 . 2]" 1
269 1 20 LEU QD 1 35 HIS HA . . 4.310 3.519 3.198 4.333 0.023 7 0 "[ . 1 . 2]" 1
270 1 20 LEU QD 1 35 HIS HD1 3.749 . 5.506 3.626 3.491 3.738 . 0 0 "[ . 1 . 2]" 1
271 1 20 LEU QD 1 35 HIS HD2 3.922 . 5.845 3.171 3.005 3.608 . 0 0 "[ . 1 . 2]" 1
272 1 20 LEU QD 1 35 HIS HE1 3.288 . 4.639 2.872 2.655 3.039 . 0 0 "[ . 1 . 2]" 1
273 1 20 LEU HG 1 35 HIS HD1 3.962 . 5.925 4.150 3.594 6.037 0.112 9 0 "[ . 1 . 2]" 1
274 1 20 LEU HG 1 35 HIS HE1 2.650 . 3.528 2.739 2.469 5.452 1.924 9 1 "[ . +1 . 2]" 1
275 1 21 PHE H 1 21 PHE HB2 2.652 . 3.531 2.609 2.463 2.683 . 0 0 "[ . 1 . 2]" 1
276 1 21 PHE H 1 21 PHE HB3 4.039 . 6.078 3.734 3.665 3.788 . 0 0 "[ . 1 . 2]" 1
277 1 21 PHE H 1 21 PHE QD 3.403 . 4.850 2.912 2.646 3.105 . 0 0 "[ . 1 . 2]" 1
278 1 21 PHE H 1 22 CYS H 3.135 . 4.364 2.772 2.645 2.999 . 0 0 "[ . 1 . 2]" 1
279 1 21 PHE H 1 34 CYS QB 4.949 . 8.011 3.345 2.886 4.405 . 0 0 "[ . 1 . 2]" 1
280 1 21 PHE H 1 35 HIS HA 3.825 . 5.653 4.056 3.541 5.459 . 0 0 "[ . 1 . 2]" 1
281 1 21 PHE H 1 35 HIS HD1 4.797 . 7.674 5.726 5.393 6.167 . 0 0 "[ . 1 . 2]" 1
282 1 21 PHE HA 1 21 PHE HB3 2.943 . 4.026 2.457 2.395 2.517 . 0 0 "[ . 1 . 2]" 1
283 1 21 PHE HA 1 21 PHE QD 3.214 . 4.506 2.683 2.492 2.978 . 0 0 "[ . 1 . 2]" 1
284 1 21 PHE HA 1 21 PHE QE 3.925 . 5.850 4.593 4.489 4.670 . 0 0 "[ . 1 . 2]" 1
285 1 21 PHE HA 1 22 CYS H 3.026 . 4.170 2.791 2.708 2.855 . 0 0 "[ . 1 . 2]" 1
286 1 21 PHE HB2 1 21 PHE QD 3.069 . 4.246 2.324 2.263 2.405 . 0 0 "[ . 1 . 2]" 1
287 1 21 PHE HB2 1 49 ILE MD 2.672 . 3.564 2.776 2.493 3.223 . 0 0 "[ . 1 . 2]" 1
288 1 21 PHE HB2 1 49 ILE HG12 3.116 . 4.330 2.899 2.706 3.248 . 0 0 "[ . 1 . 2]" 1
289 1 21 PHE HB2 1 49 ILE MG 3.471 . 4.977 3.522 3.146 3.815 . 0 0 "[ . 1 . 2]" 1
290 1 21 PHE HB3 1 21 PHE QD 3.189 . 4.460 2.501 2.378 2.610 . 0 0 "[ . 1 . 2]" 1
291 1 21 PHE HB3 1 49 ILE MD 3.505 . 5.040 3.462 3.092 4.156 . 0 0 "[ . 1 . 2]" 1
292 1 21 PHE HB3 1 49 ILE MG 3.065 . 4.240 2.900 2.519 3.336 . 0 0 "[ . 1 . 2]" 1
293 1 21 PHE QD 1 35 HIS HA 3.340 . 4.735 3.526 2.944 4.871 0.136 8 0 "[ . 1 . 2]" 1
294 1 21 PHE QE 1 43 ARG QD 3.672 . 5.358 4.133 3.152 6.699 1.341 14 1 "[ . 1 +. 2]" 1
295 1 22 CYS H 1 22 CYS HB2 2.719 . 3.643 2.710 2.593 3.969 0.326 13 0 "[ . 1 . 2]" 1
296 1 22 CYS H 1 22 CYS HB3 4.106 . 6.213 3.726 3.327 3.829 . 0 0 "[ . 1 . 2]" 1
297 1 22 CYS HA 1 22 CYS HB3 3.000 . 4.125 2.571 2.456 2.686 . 0 0 "[ . 1 . 2]" 1
298 1 22 CYS HA 1 23 CYS H 2.736 . 3.672 2.353 2.271 2.565 . 0 0 "[ . 1 . 2]" 1
299 1 22 CYS HA 1 48 CYS HA 2.580 . 3.412 2.282 1.833 2.628 . 0 0 "[ . 1 . 2]" 1
300 1 22 CYS HA 1 48 CYS HB2 4.715 . 7.494 3.140 2.458 3.619 . 0 0 "[ . 1 . 2]" 1
301 1 22 CYS HA 1 48 CYS HB3 3.275 . 4.616 4.171 3.733 4.573 . 0 0 "[ . 1 . 2]" 1
302 1 22 CYS HA 1 49 ILE H 3.487 . 5.007 3.181 2.887 3.696 . 0 0 "[ . 1 . 2]" 1
303 1 22 CYS HB2 1 23 CYS H 4.200 . 6.405 3.760 2.190 3.961 . 0 0 "[ . 1 . 2]" 1
304 1 22 CYS HB2 1 26 CYS HB2 4.309 . 6.630 3.790 2.292 4.020 . 0 0 "[ . 1 . 2]" 1
305 1 22 CYS HB2 1 26 CYS QB 4.147 . 6.296 3.610 2.204 3.830 . 0 0 "[ . 1 . 2]" 1
306 1 22 CYS HB2 1 26 CYS HB3 4.522 . 7.078 4.547 2.862 4.883 . 0 0 "[ . 1 . 2]" 1
307 1 22 CYS HB2 1 27 SER H 3.758 . 5.524 3.774 3.452 4.175 . 0 0 "[ . 1 . 2]" 1
308 1 22 CYS HB2 1 27 SER HA 2.979 . 4.089 3.114 2.711 4.667 0.578 13 1 "[ . 1 + . 2]" 1
309 1 22 CYS HB2 1 27 SER QB 3.026 . 4.171 2.938 2.229 4.446 0.275 13 0 "[ . 1 . 2]" 1
310 1 22 CYS HB3 1 23 CYS H 3.021 . 4.161 2.641 2.436 3.676 . 0 0 "[ . 1 . 2]" 1
311 1 22 CYS HB3 1 26 CYS H 4.057 . 6.115 4.237 3.962 6.427 0.312 13 0 "[ . 1 . 2]" 1
312 1 22 CYS HB3 1 26 CYS HB2 2.404 . 3.126 2.269 2.011 3.954 0.828 13 1 "[ . 1 + . 2]" 1
313 1 22 CYS HB3 1 26 CYS HB3 3.074 . 4.256 3.203 2.602 4.208 . 0 0 "[ . 1 . 2]" 1
314 1 22 CYS HB3 1 27 SER QB 3.929 . 5.859 3.412 2.673 4.839 . 0 0 "[ . 1 . 2]" 1
315 1 23 CYS H 1 23 CYS HB2 4.006 . 6.012 3.258 2.685 3.643 . 0 0 "[ . 1 . 2]" 1
316 1 23 CYS H 1 26 CYS HB3 3.961 . 5.922 4.114 3.439 4.591 . 0 0 "[ . 1 . 2]" 1
317 1 23 CYS H 1 48 CYS HA 4.013 . 6.026 3.750 3.347 4.289 . 0 0 "[ . 1 . 2]" 1
318 1 23 CYS H 1 48 CYS HB3 2.812 . 3.801 3.939 3.655 4.305 0.504 12 1 "[ . 1 + . 2]" 1
319 1 23 CYS HA 1 23 CYS HB2 2.701 . 3.613 2.646 2.382 3.029 . 0 0 "[ . 1 . 2]" 1
320 1 23 CYS HA 1 24 ASP H 2.699 . 3.610 2.493 2.417 2.552 . 0 0 "[ . 1 . 2]" 1
321 1 23 CYS HB2 1 24 ASP H 2.719 . 3.643 2.862 2.404 3.536 . 0 0 "[ . 1 . 2]" 1
322 1 23 CYS HB2 1 25 THR H 3.242 . 4.556 3.463 3.176 3.851 . 0 0 "[ . 1 . 2]" 1
323 1 23 CYS HB3 1 24 ASP H 3.875 . 5.752 3.372 2.522 3.946 . 0 0 "[ . 1 . 2]" 1
324 1 24 ASP H 1 24 ASP QB 2.781 . 3.748 2.423 2.260 2.529 . 0 0 "[ . 1 . 2]" 1
325 1 24 ASP H 1 25 THR H 2.788 . 3.760 2.883 2.768 3.007 . 0 0 "[ . 1 . 2]" 1
326 1 24 ASP HA 1 24 ASP HB2 2.886 . 3.927 2.958 2.442 3.026 . 0 0 "[ . 1 . 2]" 1
327 1 24 ASP HA 1 24 ASP QB 2.423 . 3.157 2.404 2.345 2.482 . 0 0 "[ . 1 . 2]" 1
328 1 24 ASP HA 1 24 ASP HB3 2.577 . 3.407 2.584 2.477 3.026 . 0 0 "[ . 1 . 2]" 1
329 1 24 ASP HA 1 27 SER HB2 2.846 . 3.859 3.492 2.693 4.125 0.266 6 0 "[ . 1 . 2]" 1
330 1 24 ASP HB2 1 25 THR H 2.643 . 3.516 2.690 2.350 3.871 0.355 9 0 "[ . 1 . 2]" 1
331 1 25 THR H 1 25 THR HA 2.619 . 3.476 2.800 2.781 2.825 . 0 0 "[ . 1 . 2]" 1
332 1 25 THR H 1 25 THR HB 2.303 . 2.966 2.608 2.531 2.667 . 0 0 "[ . 1 . 2]" 1
333 1 25 THR H 1 25 THR MG 3.655 . 5.325 3.746 3.725 3.760 . 0 0 "[ . 1 . 2]" 1
334 1 25 THR H 1 26 CYS H 2.534 . 3.337 2.792 2.695 2.854 . 0 0 "[ . 1 . 2]" 1
335 1 25 THR HA 1 25 THR HB 2.694 . 3.601 3.018 3.013 3.023 . 0 0 "[ . 1 . 2]" 1
336 1 25 THR HA 1 25 THR MG 2.326 . 3.002 2.349 2.315 2.379 . 0 0 "[ . 1 . 2]" 1
337 1 25 THR HA 1 28 ARG QB 2.980 . 4.090 3.135 2.524 3.591 . 0 0 "[ . 1 . 2]" 1
338 1 25 THR HA 1 28 ARG QD 3.167 . 4.421 3.379 2.646 5.979 1.558 18 1 "[ . 1 . + 2]" 1
339 1 25 THR HA 1 28 ARG QG 4.223 . 6.452 4.215 3.469 5.028 . 0 0 "[ . 1 . 2]" 1
340 1 25 THR HA 1 29 VAL MG2 4.020 . 6.040 4.007 3.705 4.319 . 0 0 "[ . 1 . 2]" 1
341 1 25 THR HB 1 25 THR MG 2.031 . 2.547 2.136 2.134 2.138 . 0 0 "[ . 1 . 2]" 1
342 1 25 THR HB 1 26 CYS H 2.534 . 3.337 2.465 2.357 2.556 . 0 0 "[ . 1 . 2]" 1
343 1 25 THR MG 1 26 CYS H 3.720 . 5.450 3.471 3.420 3.583 . 0 0 "[ . 1 . 2]" 1
344 1 25 THR MG 1 26 CYS HA 3.437 . 4.913 3.506 3.384 3.693 . 0 0 "[ . 1 . 2]" 1
345 1 26 CYS H 1 26 CYS HA 2.946 . 4.031 2.841 2.802 2.867 . 0 0 "[ . 1 . 2]" 1
346 1 26 CYS H 1 26 CYS HB2 2.648 . 3.524 2.531 2.466 2.565 . 0 0 "[ . 1 . 2]" 1
347 1 26 CYS H 1 27 SER H 2.688 . 3.591 2.585 2.499 2.701 . 0 0 "[ . 1 . 2]" 1
348 1 26 CYS H 1 28 ARG H 3.877 . 5.756 4.072 3.902 4.217 . 0 0 "[ . 1 . 2]" 1
349 1 26 CYS HA 1 26 CYS HB2 2.929 . 4.001 3.023 3.016 3.031 . 0 0 "[ . 1 . 2]" 1
350 1 26 CYS HA 1 26 CYS QB 2.537 . 3.341 2.361 2.347 2.392 . 0 0 "[ . 1 . 2]" 1
351 1 26 CYS HA 1 26 CYS HB3 2.747 . 3.691 2.464 2.444 2.506 . 0 0 "[ . 1 . 2]" 1
352 1 26 CYS HA 1 29 VAL H 2.567 . 3.391 2.734 2.638 2.793 . 0 0 "[ . 1 . 2]" 1
353 1 26 CYS HA 1 29 VAL HB 2.580 . 3.412 2.650 2.491 2.738 . 0 0 "[ . 1 . 2]" 1
354 1 26 CYS HA 1 29 VAL HB 2.826 . 3.824 2.941 2.652 3.133 . 0 0 "[ . 1 . 2]" 1
355 1 26 CYS HA 1 30 PHE QD 3.826 . 5.656 3.358 3.011 3.723 . 0 0 "[ . 1 . 2]" 1
356 1 26 CYS HB2 1 30 PHE QD 4.086 . 6.173 4.553 4.311 4.880 . 0 0 "[ . 1 . 2]" 1
357 1 26 CYS HB3 1 27 SER H 3.465 . 4.966 3.819 3.655 3.914 . 0 0 "[ . 1 . 2]" 1
358 1 26 CYS HB3 1 29 VAL HB 3.921 . 5.843 4.614 4.294 4.932 . 0 0 "[ . 1 . 2]" 1
359 1 26 CYS HB3 1 30 PHE QD 3.148 . 4.387 2.898 2.600 3.329 . 0 0 "[ . 1 . 2]" 1
360 1 26 CYS HB3 1 30 PHE QE 3.613 . 5.245 4.347 4.023 4.755 . 0 0 "[ . 1 . 2]" 1
361 1 26 CYS HB3 1 50 PHE QD 3.803 . 5.610 3.889 3.281 4.262 . 0 0 "[ . 1 . 2]" 1
362 1 27 SER H 1 27 SER HA 2.784 . 3.753 2.825 2.806 2.849 . 0 0 "[ . 1 . 2]" 1
363 1 27 SER H 1 27 SER HB2 2.358 . 3.053 2.604 2.426 3.603 0.550 6 1 "[ .+ 1 . 2]" 1
364 1 27 SER H 1 28 ARG H 2.688 . 3.591 2.608 2.528 2.685 . 0 0 "[ . 1 . 2]" 1
365 1 27 SER H 1 28 ARG QB 4.617 . 7.282 4.532 4.299 4.744 . 0 0 "[ . 1 . 2]" 1
366 1 27 SER HA 1 27 SER QB 2.333 . 3.013 2.348 2.186 2.393 . 0 0 "[ . 1 . 2]" 1
367 1 27 SER HA 1 30 PHE H 3.671 . 5.356 3.587 3.337 3.794 . 0 0 "[ . 1 . 2]" 1
368 1 27 SER HA 1 31 HIS HA 2.893 . 3.939 2.936 2.656 3.116 . 0 0 "[ . 1 . 2]" 1
369 1 27 SER HA 1 34 CYS QB 2.911 . 3.970 2.966 2.773 3.224 . 0 0 "[ . 1 . 2]" 1
370 1 27 SER QB 1 34 CYS QB 3.823 . 5.650 3.804 3.245 4.380 . 0 0 "[ . 1 . 2]" 1
371 1 27 SER HB2 1 31 HIS HD1 5.109 . 8.371 4.337 2.762 4.774 . 0 0 "[ . 1 . 2]" 1
372 1 28 ARG H 1 28 ARG HA 2.609 . 3.460 2.863 2.831 2.895 . 0 0 "[ . 1 . 2]" 1
373 1 28 ARG H 1 28 ARG QB 2.165 . 2.751 2.313 2.192 2.431 . 0 0 "[ . 1 . 2]" 1
374 1 28 ARG H 1 28 ARG QD 4.102 . 6.206 3.989 3.581 4.718 . 0 0 "[ . 1 . 2]" 1
375 1 28 ARG H 1 28 ARG QG 3.093 . 4.289 2.929 2.180 4.042 . 0 0 "[ . 1 . 2]" 1
376 1 28 ARG HA 1 28 ARG QB 2.469 . 3.231 2.392 2.326 2.443 . 0 0 "[ . 1 . 2]" 1
377 1 28 ARG HA 1 28 ARG QG 2.642 . 3.514 2.436 2.353 2.715 . 0 0 "[ . 1 . 2]" 1
378 1 28 ARG HA 1 28 ARG HG3 2.599 . 3.443 2.836 2.561 3.062 . 0 0 "[ . 1 . 2]" 1
379 1 28 ARG HA 1 31 HIS H 3.812 . 5.629 4.551 4.295 4.865 . 0 0 "[ . 1 . 2]" 1
380 1 28 ARG HA 1 31 HIS HB2 3.535 . 5.097 3.499 3.142 3.776 . 0 0 "[ . 1 . 2]" 1
381 1 28 ARG QB 1 28 ARG HD3 2.529 . 3.329 2.380 2.247 2.822 . 0 0 "[ . 1 . 2]" 1
382 1 28 ARG QB 1 29 VAL MG1 3.877 . 5.755 5.081 4.852 5.272 . 0 0 "[ . 1 . 2]" 1
383 1 28 ARG QB 1 29 VAL MG2 3.516 . 5.062 2.971 2.741 3.278 . 0 0 "[ . 1 . 2]" 1
384 1 28 ARG HD2 1 28 ARG HG2 2.323 . 2.997 2.149 2.014 2.313 . 0 0 "[ . 1 . 2]" 1
385 1 29 VAL H 1 29 VAL HB 2.507 . 3.293 2.569 2.506 2.624 . 0 0 "[ . 1 . 2]" 1
386 1 29 VAL H 1 29 VAL MG1 3.634 . 5.285 3.815 3.790 3.835 . 0 0 "[ . 1 . 2]" 1
387 1 29 VAL H 1 29 VAL MG2 2.457 . 3.212 2.355 2.217 2.462 . 0 0 "[ . 1 . 2]" 1
388 1 29 VAL H 1 30 PHE H 2.435 . 3.176 2.326 2.201 2.465 . 0 0 "[ . 1 . 2]" 1
389 1 29 VAL HA 1 29 VAL HB 2.636 . 3.505 3.021 3.017 3.024 . 0 0 "[ . 1 . 2]" 1
390 1 29 VAL HA 1 29 VAL MG1 2.487 . 3.260 2.376 2.340 2.406 . 0 0 "[ . 1 . 2]" 1
391 1 29 VAL HA 1 29 VAL MG2 2.248 . 2.879 2.400 2.361 2.435 . 0 0 "[ . 1 . 2]" 1
392 1 29 VAL HA 1 30 PHE H 3.326 . 4.709 3.556 3.542 3.573 . 0 0 "[ . 1 . 2]" 1
393 1 29 VAL HA 1 31 HIS H 3.706 . 5.423 4.366 4.080 4.526 . 0 0 "[ . 1 . 2]" 1
394 1 29 VAL HB 1 29 VAL MG1 2.207 . 2.816 2.130 2.128 2.132 . 0 0 "[ . 1 . 2]" 1
395 1 29 VAL HB 1 29 VAL MG2 2.172 . 2.762 2.127 2.125 2.129 . 0 0 "[ . 1 . 2]" 1
396 1 29 VAL HB 1 30 PHE H 2.861 . 3.884 2.607 2.486 2.707 . 0 0 "[ . 1 . 2]" 1
397 1 29 VAL HB 1 30 PHE QD 3.794 . 5.593 3.201 3.065 3.469 . 0 0 "[ . 1 . 2]" 1
398 1 29 VAL HB 1 30 PHE QE 3.832 . 5.667 3.663 3.485 3.880 . 0 0 "[ . 1 . 2]" 1
399 1 29 VAL MG1 1 29 VAL MG2 1.929 . 2.394 2.076 2.069 2.081 . 0 0 "[ . 1 . 2]" 1
400 1 29 VAL MG1 1 30 PHE H 3.971 . 5.942 3.508 3.386 3.592 . 0 0 "[ . 1 . 2]" 1
401 1 29 VAL MG1 1 30 PHE QD 3.746 . 5.500 3.223 3.144 3.309 . 0 0 "[ . 1 . 2]" 1
402 1 29 VAL MG1 1 30 PHE QE 3.328 . 4.713 3.004 2.922 3.104 . 0 0 "[ . 1 . 2]" 1
403 1 29 VAL MG2 1 30 PHE H 3.969 . 5.938 3.789 3.714 3.844 . 0 0 "[ . 1 . 2]" 1
404 1 29 VAL MG2 1 30 PHE QD 4.283 . 6.576 4.468 4.377 4.648 . 0 0 "[ . 1 . 2]" 1
405 1 29 VAL MG2 1 30 PHE QE 3.922 . 5.845 4.311 4.150 4.465 . 0 0 "[ . 1 . 2]" 1
406 1 30 PHE H 1 30 PHE HB2 3.101 . 4.303 2.702 2.643 2.741 . 0 0 "[ . 1 . 2]" 1
407 1 30 PHE H 1 30 PHE HB3 3.559 . 5.142 3.795 3.747 3.823 . 0 0 "[ . 1 . 2]" 1
408 1 30 PHE H 1 30 PHE QD 3.819 . 5.642 3.191 3.029 3.326 . 0 0 "[ . 1 . 2]" 1
409 1 30 PHE H 1 31 HIS H 2.907 . 3.963 2.976 2.725 3.110 . 0 0 "[ . 1 . 2]" 1
410 1 30 PHE H 1 34 CYS QB 3.975 . 5.950 4.773 4.494 5.098 . 0 0 "[ . 1 . 2]" 1
411 1 30 PHE HA 1 30 PHE HB2 2.965 . 4.064 3.030 3.026 3.033 . 0 0 "[ . 1 . 2]" 1
412 1 30 PHE HA 1 30 PHE HB3 2.787 . 3.758 2.432 2.412 2.456 . 0 0 "[ . 1 . 2]" 1
413 1 30 PHE HA 1 30 PHE QD 3.225 . 4.525 2.624 2.544 2.739 . 0 0 "[ . 1 . 2]" 1
414 1 30 PHE HA 1 31 HIS H 2.761 . 3.714 2.689 2.614 2.789 . 0 0 "[ . 1 . 2]" 1
415 1 30 PHE HA 1 32 GLU H 4.055 . 6.111 3.789 3.607 3.896 . 0 0 "[ . 1 . 2]" 1
416 1 30 PHE HA 1 33 ASP H 3.948 . 5.896 3.804 3.492 3.991 . 0 0 "[ . 1 . 2]" 1
417 1 30 PHE HB2 1 30 PHE QD 3.261 . 4.590 2.274 2.256 2.302 . 0 0 "[ . 1 . 2]" 1
418 1 30 PHE HB2 1 33 ASP H 4.189 . 6.382 4.220 4.165 4.360 . 0 0 "[ . 1 . 2]" 1
419 1 30 PHE HB2 1 33 ASP QB 3.823 . 5.649 3.443 3.238 3.831 . 0 0 "[ . 1 . 2]" 1
420 1 30 PHE HB2 1 50 PHE QE 3.654 . 5.323 3.464 2.953 3.741 . 0 0 "[ . 1 . 2]" 1
421 1 30 PHE HB3 1 33 ASP H 3.316 . 4.690 3.513 3.374 3.696 . 0 0 "[ . 1 . 2]" 1
422 1 30 PHE HB3 1 50 PHE QE 3.801 . 5.607 3.031 2.575 3.302 . 0 0 "[ . 1 . 2]" 1
423 1 30 PHE QD 1 50 PHE HB2 3.219 . 4.514 3.995 3.629 4.526 0.012 15 0 "[ . 1 . 2]" 1
424 1 30 PHE QD 1 50 PHE HB3 2.917 . 3.981 3.623 3.242 4.271 0.290 3 0 "[ . 1 . 2]" 1
425 1 31 HIS H 1 31 HIS HA 2.695 . 3.603 2.756 2.723 2.803 . 0 0 "[ . 1 . 2]" 1
426 1 31 HIS H 1 31 HIS HB2 2.293 . 2.950 2.395 2.298 2.503 . 0 0 "[ . 1 . 2]" 1
427 1 31 HIS H 1 31 HIS HB3 2.457 . 3.212 2.634 2.541 2.699 . 0 0 "[ . 1 . 2]" 1
428 1 31 HIS H 1 32 GLU H 2.966 . 4.066 2.894 2.760 2.987 . 0 0 "[ . 1 . 2]" 1
429 1 31 HIS H 1 32 GLU HB2 4.594 . 7.232 5.109 4.833 5.382 . 0 0 "[ . 1 . 2]" 1
430 1 31 HIS H 1 32 GLU QG 4.321 . 6.655 4.657 4.141 6.592 . 0 0 "[ . 1 . 2]" 1
431 1 31 HIS HA 1 31 HIS HB2 2.423 . 3.157 2.485 2.455 2.517 . 0 0 "[ . 1 . 2]" 1
432 1 31 HIS HA 1 31 HIS HB3 2.956 . 4.048 3.021 3.019 3.025 . 0 0 "[ . 1 . 2]" 1
433 1 31 HIS HA 1 31 HIS HD2 4.155 . 6.313 4.550 4.421 4.629 . 0 0 "[ . 1 . 2]" 1
434 1 31 HIS HA 1 32 GLU H 3.513 . 5.055 3.549 3.531 3.562 . 0 0 "[ . 1 . 2]" 1
435 1 31 HIS HA 1 34 CYS H 3.432 . 4.904 3.602 3.481 3.696 . 0 0 "[ . 1 . 2]" 1
436 1 31 HIS HA 1 34 CYS QB 2.452 . 3.204 2.560 2.441 2.721 . 0 0 "[ . 1 . 2]" 1
437 1 31 HIS HB2 1 32 GLU H 3.971 . 5.942 3.800 3.736 3.856 . 0 0 "[ . 1 . 2]" 1
438 1 31 HIS HB3 1 31 HIS HD2 3.010 . 4.142 2.683 2.659 2.717 . 0 0 "[ . 1 . 2]" 1
439 1 31 HIS HB3 1 32 GLU H 2.414 . 3.142 2.500 2.454 2.540 . 0 0 "[ . 1 . 2]" 1
440 1 31 HIS HB3 1 34 CYS H 3.603 . 6.000 5.356 5.277 5.425 . 0 0 "[ . 1 . 2]" 1
441 1 31 HIS HD2 1 32 GLU H 3.851 . 5.705 4.163 3.917 4.408 . 0 0 "[ . 1 . 2]" 1
442 1 31 HIS HD2 1 32 GLU HA 3.266 . 4.599 3.842 3.514 4.246 . 0 0 "[ . 1 . 2]" 1
443 1 31 HIS HD2 1 32 GLU HB3 4.653 . 7.359 5.668 5.274 6.078 . 0 0 "[ . 1 . 2]" 1
444 1 31 HIS HD2 1 32 GLU HG3 3.596 . 5.212 4.195 3.278 5.649 0.437 19 0 "[ . 1 . 2]" 1
445 1 31 HIS HD2 1 35 HIS HD2 2.998 . 4.121 3.961 3.536 4.206 0.085 11 0 "[ . 1 . 2]" 1
446 1 32 GLU H 1 32 GLU HA 2.804 . 3.787 2.836 2.815 2.855 . 0 0 "[ . 1 . 2]" 1
447 1 32 GLU H 1 32 GLU HB2 2.370 . 3.072 2.450 2.227 2.636 . 0 0 "[ . 1 . 2]" 1
448 1 32 GLU H 1 32 GLU QG 2.785 . 3.755 2.402 1.874 3.970 0.215 19 0 "[ . 1 . 2]" 1
449 1 32 GLU H 1 33 ASP H 2.519 . 3.312 2.579 2.487 2.677 . 0 0 "[ . 1 . 2]" 1
450 1 32 GLU H 1 33 ASP QB 4.448 . 6.921 4.520 4.346 4.700 . 0 0 "[ . 1 . 2]" 1
451 1 32 GLU H 1 34 CYS H 2.889 . 3.933 3.828 3.769 3.891 . 0 0 "[ . 1 . 2]" 1
452 1 32 GLU H 1 34 CYS QB 3.976 . 5.952 4.697 4.565 4.810 . 0 0 "[ . 1 . 2]" 1
453 1 32 GLU H 1 35 HIS HD2 4.346 . 6.707 4.390 4.313 4.507 . 0 0 "[ . 1 . 2]" 1
454 1 32 GLU HA 1 32 GLU QB 2.268 . 2.911 2.381 2.306 2.465 . 0 0 "[ . 1 . 2]" 1
455 1 32 GLU HA 1 32 GLU HB3 2.628 . 3.491 2.523 2.394 3.023 . 0 0 "[ . 1 . 2]" 1
456 1 32 GLU HA 1 32 GLU QG 2.600 . 3.445 2.551 2.380 2.884 . 0 0 "[ . 1 . 2]" 1
457 1 32 GLU HA 1 32 GLU HG3 2.706 . 3.621 3.176 2.537 3.806 0.185 17 0 "[ . 1 . 2]" 1
458 1 32 GLU HA 1 33 ASP H 3.397 . 4.839 3.511 3.482 3.541 . 0 0 "[ . 1 . 2]" 1
459 1 32 GLU HA 1 35 HIS H 3.493 . 5.018 3.923 3.669 4.235 . 0 0 "[ . 1 . 2]" 1
460 1 32 GLU HA 1 35 HIS HB2 3.322 . 4.702 3.610 3.266 3.901 . 0 0 "[ . 1 . 2]" 1
461 1 32 GLU HA 1 35 HIS HD2 2.767 . 3.724 2.764 2.505 3.110 . 0 0 "[ . 1 . 2]" 1
462 1 32 GLU HA 1 36 ILE MD 3.899 . 5.799 4.786 3.883 5.612 . 0 0 "[ . 1 . 2]" 1
463 1 32 GLU QB 1 32 GLU HG3 2.138 . 2.709 2.313 2.152 2.478 . 0 0 "[ . 1 . 2]" 1
464 1 32 GLU QB 1 34 CYS H 4.176 . 6.356 4.456 4.341 4.526 . 0 0 "[ . 1 . 2]" 1
465 1 32 GLU HB2 1 32 GLU QG 2.480 . 3.249 2.313 2.153 2.472 . 0 0 "[ . 1 . 2]" 1
466 1 32 GLU HB2 1 33 ASP H 2.484 . 3.255 2.689 2.375 3.882 0.627 19 1 "[ . 1 . +2]" 1
467 1 32 GLU HB2 1 33 ASP HA 4.415 . 6.851 4.399 4.013 5.570 . 0 0 "[ . 1 . 2]" 1
468 1 32 GLU HB3 1 32 GLU QG 2.598 . 3.442 2.328 2.143 2.415 . 0 0 "[ . 1 . 2]" 1
469 1 32 GLU HB3 1 33 ASP HA 4.143 . 6.289 4.350 4.118 4.563 . 0 0 "[ . 1 . 2]" 1
470 1 32 GLU HG3 1 35 HIS HD2 4.779 . 7.633 5.545 4.836 6.725 . 0 0 "[ . 1 . 2]" 1
471 1 33 ASP H 1 33 ASP HA 2.801 . 3.781 2.865 2.826 2.886 . 0 0 "[ . 1 . 2]" 1
472 1 33 ASP H 1 33 ASP QB 2.312 . 2.980 2.341 2.255 2.487 . 0 0 "[ . 1 . 2]" 1
473 1 33 ASP H 1 34 CYS QB 4.557 . 7.153 4.272 4.159 4.403 . 0 0 "[ . 1 . 2]" 1
474 1 33 ASP H 1 35 HIS H 3.641 . 5.298 4.075 3.997 4.198 . 0 0 "[ . 1 . 2]" 1
475 1 33 ASP H 1 50 PHE QD 4.897 . 7.895 6.647 6.082 7.028 . 0 0 "[ . 1 . 2]" 1
476 1 33 ASP H 1 50 PHE QE 4.974 . 8.067 4.442 3.978 4.839 . 0 0 "[ . 1 . 2]" 1
477 1 33 ASP HA 1 33 ASP QB 2.982 . 4.093 2.411 2.351 2.448 . 0 0 "[ . 1 . 2]" 1
478 1 33 ASP HA 1 34 CYS H 3.419 . 4.880 3.444 3.430 3.455 . 0 0 "[ . 1 . 2]" 1
479 1 33 ASP HA 1 35 HIS H 3.819 . 5.642 3.625 3.423 4.006 . 0 0 "[ . 1 . 2]" 1
480 1 33 ASP HA 1 36 ILE H 3.592 . 5.205 3.535 2.912 3.910 . 0 0 "[ . 1 . 2]" 1
481 1 33 ASP HA 1 36 ILE MD 2.979 . 4.088 3.115 2.431 5.792 1.704 18 3 "[ . * 1 . -+ 2]" 1
482 1 33 ASP HA 1 36 ILE HG12 4.342 . 6.698 5.140 4.478 6.877 0.179 18 0 "[ . 1 . 2]" 1
483 1 33 ASP QB 1 34 CYS H 2.727 . 3.657 2.919 2.840 2.966 . 0 0 "[ . 1 . 2]" 1
484 1 33 ASP QB 1 50 PHE QD 3.945 . 5.890 4.482 4.079 4.935 . 0 0 "[ . 1 . 2]" 1
485 1 33 ASP QB 1 50 PHE QE 3.622 . 5.262 2.694 1.877 3.180 0.113 17 0 "[ . 1 . 2]" 1
486 1 34 CYS H 1 34 CYS HA 2.856 . 3.875 2.860 2.834 2.884 . 0 0 "[ . 1 . 2]" 1
487 1 34 CYS H 1 34 CYS QB 2.244 . 2.874 2.244 2.188 2.279 . 0 0 "[ . 1 . 2]" 1
488 1 34 CYS H 1 35 HIS H 2.488 . 3.262 2.575 2.508 2.646 . 0 0 "[ . 1 . 2]" 1
489 1 34 CYS H 1 50 PHE QE 4.389 . 6.797 3.967 3.443 4.349 . 0 0 "[ . 1 . 2]" 1
490 1 34 CYS HA 1 34 CYS QB 2.651 . 3.529 2.442 2.350 2.472 . 0 0 "[ . 1 . 2]" 1
491 1 34 CYS HA 1 34 CYS QB 2.742 . 3.682 2.235 2.185 2.270 . 0 0 "[ . 1 . 2]" 1
492 1 34 CYS HA 1 35 HIS H 3.329 . 4.714 3.336 3.241 3.471 . 0 0 "[ . 1 . 2]" 1
493 1 34 CYS HA 1 49 ILE MD 2.553 . 3.368 2.893 2.109 3.812 0.444 7 0 "[ . 1 . 2]" 1
494 1 34 CYS QB 1 35 HIS H 3.837 . 5.677 3.256 2.873 3.429 . 0 0 "[ . 1 . 2]" 1
495 1 35 HIS H 1 35 HIS HA 2.988 . 4.104 2.930 2.887 2.948 . 0 0 "[ . 1 . 2]" 1
496 1 35 HIS H 1 35 HIS HB2 2.299 . 2.960 2.410 2.315 2.518 . 0 0 "[ . 1 . 2]" 1
497 1 35 HIS H 1 35 HIS HB3 3.594 . 5.208 3.638 3.583 3.684 . 0 0 "[ . 1 . 2]" 1
498 1 35 HIS H 1 35 HIS HD1 4.882 . 7.861 5.025 4.783 5.134 . 0 0 "[ . 1 . 2]" 1
499 1 35 HIS H 1 35 HIS HD2 3.373 . 4.795 3.058 2.743 3.283 . 0 0 "[ . 1 . 2]" 1
500 1 35 HIS H 1 36 ILE HB 4.677 . 7.411 4.515 4.110 5.873 . 0 0 "[ . 1 . 2]" 1
501 1 35 HIS H 1 36 ILE MD 4.601 . 7.247 4.503 2.904 5.395 . 0 0 "[ . 1 . 2]" 1
502 1 35 HIS H 1 36 ILE HG12 5.107 . 8.367 5.135 4.807 5.687 . 0 0 "[ . 1 . 2]" 1
503 1 35 HIS H 1 36 ILE HG13 3.901 . 5.804 3.611 3.229 5.307 . 0 0 "[ . 1 . 2]" 1
504 1 35 HIS HA 1 35 HIS HB2 2.819 . 3.812 3.016 3.002 3.025 . 0 0 "[ . 1 . 2]" 1
505 1 35 HIS HA 1 35 HIS HB3 2.400 . 3.120 2.539 2.466 2.589 . 0 0 "[ . 1 . 2]" 1
506 1 35 HIS HA 1 35 HIS HD1 2.789 . 3.761 3.068 2.855 3.175 . 0 0 "[ . 1 . 2]" 1
507 1 35 HIS HA 1 35 HIS HD2 4.057 . 6.114 4.154 3.975 4.322 . 0 0 "[ . 1 . 2]" 1
508 1 35 HIS HA 1 35 HIS HE1 4.161 . 6.326 4.940 4.739 5.078 . 0 0 "[ . 1 . 2]" 1
509 1 35 HIS HA 1 36 ILE H 3.063 . 4.236 3.303 3.148 3.531 . 0 0 "[ . 1 . 2]" 1
510 1 35 HIS HB2 1 35 HIS HD2 2.850 . 3.865 2.742 2.709 2.767 . 0 0 "[ . 1 . 2]" 1
511 1 35 HIS HB2 1 36 ILE H 3.490 . 5.013 3.369 2.455 3.717 . 0 0 "[ . 1 . 2]" 1
512 1 35 HIS HB3 1 35 HIS HD1 3.113 . 4.324 2.650 2.616 2.710 . 0 0 "[ . 1 . 2]" 1
513 1 35 HIS HB3 1 36 ILE H 4.163 . 6.329 4.060 3.438 4.323 . 0 0 "[ . 1 . 2]" 1
514 1 35 HIS HB3 1 36 ILE HG12 4.485 . 7.000 4.500 3.624 5.908 . 0 0 "[ . 1 . 2]" 1
515 1 35 HIS HD1 1 36 ILE H 5.028 . 8.188 5.964 5.710 6.087 . 0 0 "[ . 1 . 2]" 1
516 1 36 ILE H 1 36 ILE HA 2.827 . 3.826 2.940 2.918 2.949 . 0 0 "[ . 1 . 2]" 1
517 1 36 ILE H 1 36 ILE HB 2.383 . 3.093 2.767 2.505 3.791 0.698 9 2 "[ . +1 - 2]" 1
518 1 36 ILE H 1 36 ILE HG12 3.510 . 5.050 3.892 3.732 4.432 . 0 0 "[ . 1 . 2]" 1
519 1 36 ILE H 1 36 ILE HG13 2.484 . 3.255 2.736 2.119 3.970 0.715 12 1 "[ . 1 + . 2]" 1
520 1 36 ILE H 1 36 ILE MG 3.587 . 5.195 3.814 3.375 3.911 . 0 0 "[ . 1 . 2]" 1
521 1 36 ILE HA 1 36 ILE HB 2.998 . 4.122 2.983 2.589 3.029 . 0 0 "[ . 1 . 2]" 1
522 1 36 ILE HA 1 36 ILE MD 3.650 . 5.316 3.805 2.989 3.889 . 0 0 "[ . 1 . 2]" 1
523 1 36 ILE HA 1 36 ILE HG12 2.760 . 3.712 2.796 2.502 4.192 0.480 9 0 "[ . 1 . 2]" 1
524 1 36 ILE HA 1 36 ILE HG13 3.138 . 4.369 3.086 2.344 3.539 . 0 0 "[ . 1 . 2]" 1
525 1 36 ILE HA 1 36 ILE MG 2.393 . 3.109 2.383 2.226 2.579 . 0 0 "[ . 1 . 2]" 1
526 1 36 ILE HB 1 36 ILE MD 2.618 . 3.475 2.417 2.319 2.461 . 0 0 "[ . 1 . 2]" 1
527 1 36 ILE HB 1 36 ILE HG12 2.854 . 3.872 2.965 2.578 3.030 . 0 0 "[ . 1 . 2]" 1
528 1 36 ILE HB 1 36 ILE HG13 2.514 . 3.304 2.552 2.439 3.016 . 0 0 "[ . 1 . 2]" 1
529 1 36 ILE HB 1 36 ILE MG 2.175 . 2.766 2.127 2.120 2.130 . 0 0 "[ . 1 . 2]" 1
530 1 36 ILE MD 1 36 ILE HG12 2.300 . 2.961 2.119 2.116 2.121 . 0 0 "[ . 1 . 2]" 1
531 1 36 ILE MD 1 36 ILE HG13 2.356 . 3.050 2.121 2.117 2.124 . 0 0 "[ . 1 . 2]" 1
532 1 36 ILE HG12 1 36 ILE MG 2.622 . 3.481 2.357 2.165 2.420 . 0 0 "[ . 1 . 2]" 1
533 1 36 ILE HG13 1 36 ILE MG 2.802 . 3.783 3.114 2.538 3.207 . 0 0 "[ . 1 . 2]" 1
534 1 37 PRO HA 1 37 PRO HB3 2.877 . 3.911 2.296 2.262 2.339 . 0 0 "[ . 1 . 2]" 1
535 1 37 PRO HB3 1 37 PRO HG2 2.966 . 4.066 2.853 2.698 3.010 . 0 0 "[ . 1 . 2]" 1
536 1 38 PRO HA 1 38 PRO HD2 3.588 . 5.197 4.006 3.916 4.098 . 0 0 "[ . 1 . 2]" 1
537 1 38 PRO HA 1 38 PRO HD3 3.575 . 5.172 3.643 3.339 3.913 . 0 0 "[ . 1 . 2]" 1
538 1 38 PRO HA 1 38 PRO QG 2.720 . 3.645 3.249 2.884 3.511 . 0 0 "[ . 1 . 2]" 1
539 1 38 PRO HA 1 38 PRO HG3 3.935 . 5.870 3.548 2.968 4.044 . 0 0 "[ . 1 . 2]" 1
540 1 38 PRO HA 1 39 VAL H 2.238 . 2.864 2.210 2.155 2.344 . 0 0 "[ . 1 . 2]" 1
541 1 38 PRO HA 1 39 VAL QG 3.999 . 5.998 3.663 3.350 3.936 . 0 0 "[ . 1 . 2]" 1
542 1 38 PRO HB2 1 38 PRO HD2 4.049 . 6.098 3.524 2.951 4.056 . 0 0 "[ . 1 . 2]" 1
543 1 38 PRO HB2 1 38 PRO HG2 2.350 . 3.040 2.318 2.291 2.343 . 0 0 "[ . 1 . 2]" 1
544 1 38 PRO HB2 1 38 PRO QG 1.982 . 2.473 2.216 2.180 2.265 . 0 0 "[ . 1 . 2]" 1
545 1 38 PRO HB2 1 38 PRO HG3 2.764 . 3.719 2.837 2.670 3.003 . 0 0 "[ . 1 . 2]" 1
546 1 38 PRO HD2 1 38 PRO HG3 2.543 . 3.352 2.856 2.690 3.006 . 0 0 "[ . 1 . 2]" 1
547 1 38 PRO HD3 1 38 PRO HG2 2.540 . 3.346 2.848 2.684 3.002 . 0 0 "[ . 1 . 2]" 1
548 1 38 PRO HD3 1 38 PRO QG 2.419 . 3.150 2.218 2.188 2.253 . 0 0 "[ . 1 . 2]" 1
549 1 39 VAL H 1 39 VAL HA 2.685 . 3.586 2.830 2.755 2.879 . 0 0 "[ . 1 . 2]" 1
550 1 39 VAL H 1 39 VAL HB 2.410 . 3.136 2.717 2.510 3.647 0.511 7 1 "[ . + 1 . 2]" 1
551 1 39 VAL H 1 39 VAL QG 2.451 . 3.202 2.039 1.825 2.150 . 0 0 "[ . 1 . 2]" 1
552 1 39 VAL HA 1 39 VAL HB 2.337 . 3.020 2.631 2.370 3.022 0.002 2 0 "[ . 1 . 2]" 1
553 1 39 VAL HA 1 39 VAL QG 2.459 . 2.894 2.248 2.129 2.366 . 0 0 "[ . 1 . 2]" 1
554 1 39 VAL HA 1 40 GLU H 2.297 . 2.956 2.157 2.087 2.325 . 0 0 "[ . 1 . 2]" 1
555 1 39 VAL HA 1 41 ALA H 4.927 . 7.961 4.008 3.088 5.082 . 0 0 "[ . 1 . 2]" 1
556 1 39 VAL HB 1 39 VAL QG 1.940 . 2.410 1.892 1.889 1.897 . 0 0 "[ . 1 . 2]" 1
557 1 39 VAL HB 1 40 GLU H 3.325 . 4.707 4.189 2.779 4.588 . 0 0 "[ . 1 . 2]" 1
558 1 39 VAL QG 1 40 GLU H 3.026 . 4.170 3.013 2.622 3.534 . 0 0 "[ . 1 . 2]" 1
559 1 39 VAL QG 1 40 GLU HA 3.697 . 5.405 3.648 3.267 4.301 . 0 0 "[ . 1 . 2]" 1
560 1 39 VAL QG 1 41 ALA H 3.600 . 5.220 3.354 2.342 4.636 . 0 0 "[ . 1 . 2]" 1
561 1 40 GLU H 1 40 GLU HA 2.795 . 3.771 2.912 2.851 2.945 . 0 0 "[ . 1 . 2]" 1
562 1 40 GLU H 1 40 GLU QB 2.629 . 3.493 2.510 2.265 2.785 . 0 0 "[ . 1 . 2]" 1
563 1 40 GLU H 1 40 GLU HG2 3.152 . 4.394 3.990 2.279 5.125 0.731 3 3 "[ + * 1 - . 2]" 1
564 1 40 GLU HA 1 40 GLU QB 2.539 . 3.345 2.382 2.332 2.483 . 0 0 "[ . 1 . 2]" 1
565 1 40 GLU HA 1 40 GLU HG2 2.951 . 4.040 3.038 2.492 3.794 . 0 0 "[ . 1 . 2]" 1
566 1 40 GLU HA 1 40 GLU QG 2.804 . 3.787 2.619 2.397 2.938 . 0 0 "[ . 1 . 2]" 1
567 1 40 GLU HA 1 41 ALA H 2.530 . 3.330 3.216 2.210 3.568 0.238 13 0 "[ . 1 . 2]" 1
568 1 40 GLU QB 1 41 ALA H 3.450 . 4.937 2.955 1.906 4.029 0.057 3 0 "[ . 1 . 2]" 1
569 1 41 ALA H 1 41 ALA MB 2.575 . 3.404 2.577 2.249 2.946 . 0 0 "[ . 1 . 2]" 1
570 1 41 ALA H 1 42 GLU HA 4.598 . 7.241 4.757 3.995 5.749 . 0 0 "[ . 1 . 2]" 1
571 1 41 ALA H 1 42 GLU QG 4.449 . 6.923 4.590 3.938 5.283 . 0 0 "[ . 1 . 2]" 1
572 1 41 ALA H 1 43 ARG HB3 4.311 . 6.634 6.187 4.455 7.579 0.945 16 2 "[ . 1 -+ 2]" 1
573 1 41 ALA H 1 43 ARG QG 3.801 . 5.607 3.978 2.434 6.590 0.983 11 1 "[ . 1+ . 2]" 1
574 1 41 ALA HA 1 41 ALA MB 2.173 . 2.763 2.129 2.117 2.136 . 0 0 "[ . 1 . 2]" 1
575 1 41 ALA HA 1 42 GLU H 2.870 . 3.900 3.346 2.115 3.577 . 0 0 "[ . 1 . 2]" 1
576 1 41 ALA HA 1 42 GLU QG 3.563 . 5.150 4.423 3.425 5.194 0.044 13 0 "[ . 1 . 2]" 1
577 1 41 ALA MB 1 42 GLU H 2.887 . 3.929 2.475 1.836 3.702 0.009 1 0 "[ . 1 . 2]" 1
578 1 41 ALA MB 1 42 GLU QG 2.748 . 3.692 2.752 2.456 4.131 0.439 19 0 "[ . 1 . 2]" 1
579 1 41 ALA MB 1 43 ARG H 4.097 . 6.195 5.099 4.342 6.072 . 0 0 "[ . 1 . 2]" 1
580 1 42 GLU H 1 42 GLU HA 2.809 . 3.796 2.797 2.263 2.945 . 0 0 "[ . 1 . 2]" 1
581 1 42 GLU H 1 42 GLU QB 2.815 . 3.806 2.909 2.363 3.369 . 0 0 "[ . 1 . 2]" 1
582 1 42 GLU H 1 42 GLU HG3 2.767 . 3.724 3.218 2.438 4.367 0.643 3 1 "[ + . 1 . 2]" 1
583 1 42 GLU H 1 43 ARG QG 3.768 . 5.543 4.059 3.127 5.667 0.124 11 0 "[ . 1 . 2]" 1
584 1 42 GLU HA 1 42 GLU QG 2.484 . 3.255 2.862 2.419 3.342 0.087 10 0 "[ . 1 . 2]" 1
585 1 42 GLU HA 1 43 ARG H 2.484 . 3.255 2.259 2.085 2.648 . 0 0 "[ . 1 . 2]" 1
586 1 42 GLU QB 1 43 ARG H 3.253 . 4.575 3.435 1.755 3.912 0.176 10 0 "[ . 1 . 2]" 1
587 1 43 ARG H 1 43 ARG HB3 2.666 . 3.555 3.616 2.807 4.153 0.598 10 1 "[ . + . 2]" 1
588 1 43 ARG H 1 43 ARG QG 3.518 . 5.065 2.613 1.881 3.420 0.090 9 0 "[ . 1 . 2]" 1
589 1 43 ARG H 1 44 THR MG 3.518 . 5.065 4.076 3.491 5.420 0.355 19 0 "[ . 1 . 2]" 1
590 1 43 ARG HA 1 43 ARG QD 3.468 . 4.971 3.573 1.937 4.495 0.028 4 0 "[ . 1 . 2]" 1
591 1 43 ARG HA 1 43 ARG QG 3.591 . 5.203 2.724 2.371 3.354 . 0 0 "[ . 1 . 2]" 1
592 1 43 ARG HA 1 44 THR H 2.295 . 2.953 2.265 2.090 2.506 . 0 0 "[ . 1 . 2]" 1
593 1 43 ARG HA 1 44 THR HB 3.688 . 6.000 5.768 5.546 6.006 0.006 17 0 "[ . 1 . 2]" 1
594 1 43 ARG HA 1 44 THR MG 3.763 . 5.533 3.934 3.527 4.459 . 0 0 "[ . 1 . 2]" 1
595 1 43 ARG HB2 1 44 THR H 3.457 . 4.951 4.208 3.411 4.472 . 0 0 "[ . 1 . 2]" 1
596 1 43 ARG HB2 1 44 THR HA 4.439 . 6.902 3.729 3.631 3.968 . 0 0 "[ . 1 . 2]" 1
597 1 43 ARG HB2 1 44 THR MG 3.871 . 5.744 4.734 4.160 5.059 . 0 0 "[ . 1 . 2]" 1
598 1 43 ARG HB3 1 44 THR H 4.030 . 6.060 3.787 2.893 4.550 . 0 0 "[ . 1 . 2]" 1
599 1 43 ARG QG 1 44 THR H 4.770 . 7.614 4.400 3.988 4.612 . 0 0 "[ . 1 . 2]" 1
600 1 44 THR H 1 44 THR HA 2.868 . 3.896 2.899 2.268 2.946 . 0 0 "[ . 1 . 2]" 1
601 1 44 THR H 1 44 THR HB 3.495 . 5.022 3.710 3.605 4.027 . 0 0 "[ . 1 . 2]" 1
602 1 44 THR H 1 44 THR MG 2.843 . 3.853 2.765 2.511 2.978 . 0 0 "[ . 1 . 2]" 1
603 1 44 THR H 1 45 PRO HD2 4.957 . 8.028 5.020 3.983 5.298 . 0 0 "[ . 1 . 2]" 1
604 1 44 THR H 1 47 ASN HB2 5.188 . 8.553 5.551 4.024 6.610 . 0 0 "[ . 1 . 2]" 1
605 1 44 THR H 1 47 ASN HB3 4.803 . 7.686 4.712 3.664 6.111 . 0 0 "[ . 1 . 2]" 1
606 1 44 THR HA 1 44 THR HB 2.679 . 3.576 2.510 2.483 2.551 . 0 0 "[ . 1 . 2]" 1
607 1 44 THR HA 1 44 THR MG 2.478 . 3.245 2.312 2.263 2.340 . 0 0 "[ . 1 . 2]" 1
608 1 44 THR HA 1 45 PRO HD2 3.103 . 4.307 2.593 2.506 2.713 . 0 0 "[ . 1 . 2]" 1
609 1 44 THR HA 1 45 PRO HD3 1.874 . 2.313 2.047 1.862 2.304 . 0 0 "[ . 1 . 2]" 1
610 1 44 THR HA 1 46 TRP H 3.562 . 5.148 3.486 3.131 3.857 . 0 0 "[ . 1 . 2]" 1
611 1 44 THR HB 1 44 THR MG 2.219 . 2.834 2.137 2.133 2.140 . 0 0 "[ . 1 . 2]" 1
612 1 44 THR HB 1 45 PRO HD2 3.005 . 4.133 4.030 3.267 4.719 0.586 19 1 "[ . 1 . +2]" 1
613 1 44 THR HB 1 46 TRP H 2.991 . 4.109 3.218 2.698 3.849 . 0 0 "[ . 1 . 2]" 1
614 1 44 THR MG 1 45 PRO HD2 3.833 . 5.670 4.183 3.769 4.488 . 0 0 "[ . 1 . 2]" 1
615 1 44 THR MG 1 45 PRO HD3 4.333 . 6.680 3.934 3.681 4.112 . 0 0 "[ . 1 . 2]" 1
616 1 44 THR MG 1 46 TRP H 4.671 . 7.398 4.440 4.226 4.579 . 0 0 "[ . 1 . 2]" 1
617 1 44 THR MG 1 46 TRP HE1 4.047 . 6.095 3.592 2.415 7.299 1.204 2 1 "[ + . 1 . 2]" 1
618 1 44 THR MG 1 46 TRP HZ2 3.619 . 5.256 3.203 2.322 6.373 1.117 2 1 "[ + . 1 . 2]" 1
619 1 44 THR MG 1 47 ASN HD21 4.450 . 6.925 5.472 4.023 6.936 0.011 10 0 "[ . 1 . 2]" 1
620 1 45 PRO HA 1 45 PRO QB 2.327 . 3.004 2.199 2.187 2.205 . 0 0 "[ . 1 . 2]" 1
621 1 45 PRO HA 1 45 PRO HD2 3.886 . 5.774 3.921 3.895 3.940 . 0 0 "[ . 1 . 2]" 1
622 1 45 PRO HA 1 45 PRO QG 3.155 . 4.399 3.063 2.997 3.202 . 0 0 "[ . 1 . 2]" 1
623 1 45 PRO HA 1 46 TRP H 3.119 . 4.335 3.450 3.365 3.493 . 0 0 "[ . 1 . 2]" 1
624 1 45 PRO QB 1 45 PRO HD2 4.261 . 4.262 2.902 2.866 2.946 . 0 0 "[ . 1 . 2]" 1
625 1 45 PRO QB 1 45 PRO HD3 4.511 . 6.466 3.546 3.537 3.559 . 0 0 "[ . 1 . 2]" 1
626 1 45 PRO QB 1 46 TRP H 3.486 . 5.005 3.126 2.992 3.311 . 0 0 "[ . 1 . 2]" 1
627 1 45 PRO QB 1 46 TRP HE3 3.468 . 4.971 3.293 2.990 4.806 . 0 0 "[ . 1 . 2]" 1
628 1 45 PRO HD2 1 46 TRP HH2 3.127 . 4.349 3.925 3.666 4.327 . 0 0 "[ . 1 . 2]" 1
629 1 45 PRO HD3 1 46 TRP HH2 4.080 . 6.161 4.548 4.244 4.914 . 0 0 "[ . 1 . 2]" 1
630 1 45 PRO QG 1 46 TRP H 3.886 . 5.773 3.905 3.770 4.057 . 0 0 "[ . 1 . 2]" 1
631 1 46 TRP H 1 46 TRP QB 3.124 . 4.344 2.809 2.556 2.954 . 0 0 "[ . 1 . 2]" 1
632 1 46 TRP H 1 47 ASN H 3.258 . 4.585 2.718 2.285 3.119 . 0 0 "[ . 1 . 2]" 1
633 1 46 TRP H 1 47 ASN HA 3.454 . 6.000 5.069 4.852 5.219 . 0 0 "[ . 1 . 2]" 1
634 1 46 TRP HA 1 46 TRP HB2 2.943 . 4.026 2.552 2.456 3.032 . 0 0 "[ . 1 . 2]" 1
635 1 46 TRP HA 1 46 TRP QB 3.156 . 4.401 2.195 2.179 2.333 . 0 0 "[ . 1 . 2]" 1
636 1 46 TRP HA 1 46 TRP HB3 2.842 . 3.852 2.400 2.335 2.461 . 0 0 "[ . 1 . 2]" 1
637 1 46 TRP HA 1 46 TRP HD1 3.914 . 5.829 4.413 3.194 4.542 . 0 0 "[ . 1 . 2]" 1
638 1 46 TRP HA 1 46 TRP HE3 4.106 . 6.213 4.231 4.062 4.647 . 0 0 "[ . 1 . 2]" 1
639 1 46 TRP HA 1 47 ASN H 2.821 . 3.816 3.005 2.724 3.360 . 0 0 "[ . 1 . 2]" 1
640 1 46 TRP QB 1 47 ASN H 3.576 . 5.174 3.960 3.726 4.023 . 0 0 "[ . 1 . 2]" 1
641 1 46 TRP QB 1 48 CYS H 4.289 . 6.588 6.153 5.590 6.657 0.069 7 0 "[ . 1 . 2]" 1
642 1 46 TRP HB2 1 46 TRP HD1 2.841 . 3.850 2.749 2.650 3.835 . 0 0 "[ . 1 . 2]" 1
643 1 46 TRP HB3 1 46 TRP HE3 2.916 . 3.979 2.632 2.506 4.088 0.109 2 0 "[ . 1 . 2]" 1
644 1 47 ASN H 1 47 ASN HA 2.789 . 3.762 2.925 2.899 2.944 . 0 0 "[ . 1 . 2]" 1
645 1 47 ASN H 1 47 ASN HB2 3.273 . 4.612 3.167 2.587 3.403 . 0 0 "[ . 1 . 2]" 1
646 1 47 ASN H 1 47 ASN HB3 3.394 . 4.834 2.883 2.538 3.788 . 0 0 "[ . 1 . 2]" 1
647 1 47 ASN HA 1 47 ASN HB2 2.631 . 3.496 2.533 2.445 3.029 . 0 0 "[ . 1 . 2]" 1
648 1 47 ASN HA 1 47 ASN HB3 2.904 . 3.958 2.983 2.513 3.037 . 0 0 "[ . 1 . 2]" 1
649 1 47 ASN HA 1 48 CYS H 2.596 . 3.439 2.207 2.144 2.261 . 0 0 "[ . 1 . 2]" 1
650 1 47 ASN HB2 1 48 CYS H 4.373 . 6.763 4.320 4.115 4.544 . 0 0 "[ . 1 . 2]" 1
651 1 47 ASN HB3 1 48 CYS H 4.430 . 6.883 4.143 3.094 4.484 . 0 0 "[ . 1 . 2]" 1
652 1 48 CYS H 1 48 CYS HB2 2.775 . 3.738 2.703 2.641 2.769 . 0 0 "[ . 1 . 2]" 1
653 1 48 CYS H 1 48 CYS HB3 2.953 . 4.043 2.534 2.412 2.691 . 0 0 "[ . 1 . 2]" 1
654 1 48 CYS H 1 49 ILE HG12 4.923 . 7.952 6.242 5.991 6.383 . 0 0 "[ . 1 . 2]" 1
655 1 48 CYS HA 1 48 CYS HB3 2.874 . 3.906 3.031 3.022 3.035 . 0 0 "[ . 1 . 2]" 1
656 1 48 CYS HA 1 49 ILE H 2.364 . 3.062 2.140 2.117 2.164 . 0 0 "[ . 1 . 2]" 1
657 1 48 CYS HA 1 50 PHE H 4.224 . 6.455 3.698 3.605 3.808 . 0 0 "[ . 1 . 2]" 1
658 1 48 CYS HB2 1 49 ILE H 4.351 . 6.717 4.339 4.280 4.386 . 0 0 "[ . 1 . 2]" 1
659 1 48 CYS HB3 1 49 ILE H 4.659 . 7.372 4.234 4.184 4.290 . 0 0 "[ . 1 . 2]" 1
660 1 48 CYS HB3 1 50 PHE H 4.286 . 6.582 4.244 4.085 4.406 . 0 0 "[ . 1 . 2]" 1
661 1 49 ILE H 1 49 ILE HA 2.931 . 4.005 2.868 2.831 2.886 . 0 0 "[ . 1 . 2]" 1
662 1 49 ILE H 1 49 ILE HB 3.567 . 5.158 3.623 3.574 3.659 . 0 0 "[ . 1 . 2]" 1
663 1 49 ILE H 1 49 ILE MD 4.743 . 7.555 3.623 3.515 3.695 . 0 0 "[ . 1 . 2]" 1
664 1 49 ILE H 1 49 ILE HG12 2.205 . 2.813 1.923 1.785 2.015 . 0 0 "[ . 1 . 2]" 1
665 1 49 ILE H 1 49 ILE MG 3.056 . 4.223 2.625 2.501 2.819 . 0 0 "[ . 1 . 2]" 1
666 1 49 ILE H 1 50 PHE H 2.804 . 3.787 2.473 2.375 2.608 . 0 0 "[ . 1 . 2]" 1
667 1 49 ILE HA 1 49 ILE HB 2.635 . 3.503 2.541 2.497 2.617 . 0 0 "[ . 1 . 2]" 1
668 1 49 ILE HA 1 49 ILE MD 4.064 . 6.129 4.185 4.166 4.194 . 0 0 "[ . 1 . 2]" 1
669 1 49 ILE HA 1 49 ILE HG12 3.104 . 4.308 3.691 3.587 3.741 . 0 0 "[ . 1 . 2]" 1
670 1 49 ILE HA 1 49 ILE MG 2.625 . 3.486 2.261 2.198 2.294 . 0 0 "[ . 1 . 2]" 1
671 1 49 ILE HA 1 50 PHE H 3.643 . 5.302 3.463 3.435 3.499 . 0 0 "[ . 1 . 2]" 1
672 1 49 ILE HA 1 52 ARG QD 3.504 . 5.039 3.946 2.165 5.739 0.700 13 1 "[ . 1 + . 2]" 1
673 1 49 ILE HA 1 52 ARG QG 3.330 . 4.716 3.467 2.098 4.358 . 0 0 "[ . 1 . 2]" 1
674 1 49 ILE HB 1 49 ILE MD 2.412 . 3.139 2.402 2.380 2.441 . 0 0 "[ . 1 . 2]" 1
675 1 49 ILE HB 1 49 ILE HG12 2.723 . 3.650 3.021 3.016 3.025 . 0 0 "[ . 1 . 2]" 1
676 1 49 ILE HB 1 49 ILE MG 2.356 . 3.050 2.127 2.123 2.132 . 0 0 "[ . 1 . 2]" 1
677 1 49 ILE HB 1 50 PHE H 3.588 . 5.197 3.862 3.737 3.933 . 0 0 "[ . 1 . 2]" 1
678 1 49 ILE HB 1 50 PHE QD 3.717 . 5.444 4.524 4.185 5.079 . 0 0 "[ . 1 . 2]" 1
679 1 49 ILE MD 1 49 ILE HG12 1.924 . 2.387 2.115 2.111 2.118 . 0 0 "[ . 1 . 2]" 1
680 1 49 ILE MD 1 50 PHE H 5.235 . 8.661 4.159 4.044 4.289 . 0 0 "[ . 1 . 2]" 1
681 1 49 ILE MD 1 50 PHE QD 3.772 . 5.550 3.285 3.039 3.715 . 0 0 "[ . 1 . 2]" 1
682 1 49 ILE HG12 1 49 ILE MG 2.291 . 2.947 2.370 2.345 2.409 . 0 0 "[ . 1 . 2]" 1
683 1 49 ILE HG12 1 50 PHE H 3.880 . 5.762 3.284 3.114 3.503 . 0 0 "[ . 1 . 2]" 1
684 1 49 ILE HG12 1 50 PHE QD 4.051 . 6.103 3.526 3.298 4.215 . 0 0 "[ . 1 . 2]" 1
685 1 49 ILE MG 1 50 PHE H 4.254 . 6.516 4.199 4.128 4.310 . 0 0 "[ . 1 . 2]" 1
686 1 49 ILE MG 1 50 PHE QD 4.192 . 6.388 4.966 4.805 5.500 . 0 0 "[ . 1 . 2]" 1
687 1 50 PHE H 1 50 PHE HB2 2.757 . 3.707 2.300 2.194 2.426 . 0 0 "[ . 1 . 2]" 1
688 1 50 PHE H 1 50 PHE HB3 4.076 . 6.153 3.542 3.335 3.630 . 0 0 "[ . 1 . 2]" 1
689 1 50 PHE H 1 50 PHE QD 3.960 . 5.920 2.798 2.470 3.485 . 0 0 "[ . 1 . 2]" 1
690 1 50 PHE H 1 51 CYS H 2.581 . 3.413 2.410 2.306 2.507 . 0 0 "[ . 1 . 2]" 1
691 1 50 PHE HA 1 50 PHE HB3 2.817 . 3.809 2.653 2.521 2.827 . 0 0 "[ . 1 . 2]" 1
692 1 50 PHE HA 1 50 PHE QD 2.994 . 4.114 2.941 2.765 3.026 . 0 0 "[ . 1 . 2]" 1
693 1 50 PHE HA 1 53 MET HG3 4.170 . 6.344 4.494 2.753 5.765 . 0 0 "[ . 1 . 2]" 1
694 1 50 PHE HB2 1 50 PHE QD 2.709 . 3.627 2.418 2.333 2.486 . 0 0 "[ . 1 . 2]" 1
695 1 50 PHE HB2 1 51 CYS H 3.697 . 5.406 3.087 2.643 3.363 . 0 0 "[ . 1 . 2]" 1
696 1 50 PHE HB3 1 50 PHE QD 3.232 . 4.538 2.361 2.307 2.448 . 0 0 "[ . 1 . 2]" 1
697 1 50 PHE HB3 1 51 CYS H 3.657 . 5.329 3.567 3.246 3.830 . 0 0 "[ . 1 . 2]" 1
698 1 51 CYS H 1 51 CYS HB3 2.809 . 3.795 3.536 3.478 3.590 . 0 0 "[ . 1 . 2]" 1
699 1 51 CYS H 1 52 ARG H 2.913 . 3.974 2.666 2.562 2.766 . 0 0 "[ . 1 . 2]" 1
700 1 51 CYS HA 1 51 CYS HB2 2.936 . 4.014 2.983 2.946 3.010 . 0 0 "[ . 1 . 2]" 1
701 1 51 CYS HA 1 52 ARG H 3.069 . 4.246 3.515 3.362 3.585 . 0 0 "[ . 1 . 2]" 1
702 1 51 CYS QB 1 52 ARG H 2.822 . 3.818 2.825 2.523 3.259 . 0 0 "[ . 1 . 2]" 1
703 1 51 CYS QB 1 52 ARG HA 3.139 . 4.370 3.937 3.775 4.042 . 0 0 "[ . 1 . 2]" 1
704 1 52 ARG H 1 52 ARG HA 2.720 . 3.644 2.881 2.800 2.938 . 0 0 "[ . 1 . 2]" 1
705 1 52 ARG H 1 52 ARG QB 2.782 . 3.750 2.496 2.153 2.786 . 0 0 "[ . 1 . 2]" 1
706 1 52 ARG H 1 52 ARG QG 2.711 . 3.630 2.573 1.800 4.048 0.418 3 0 "[ . 1 . 2]" 1
707 1 52 ARG HA 1 52 ARG QD 4.144 . 6.291 3.933 2.047 4.547 . 0 0 "[ . 1 . 2]" 1
708 1 52 ARG HA 1 52 ARG QG 3.090 . 4.283 2.819 2.411 3.356 . 0 0 "[ . 1 . 2]" 1
709 1 52 ARG HA 1 53 MET H 2.933 . 4.008 3.275 3.087 3.398 . 0 0 "[ . 1 . 2]" 1
710 1 52 ARG HA 1 54 LYS H 3.820 . 5.644 3.916 3.058 5.134 . 0 0 "[ . 1 . 2]" 1
711 1 52 ARG HA 1 54 LYS QB 2.289 . 6.000 4.856 3.773 6.351 0.351 16 0 "[ . 1 . 2]" 1
712 1 52 ARG QB 1 52 ARG QD 2.729 . 3.660 2.341 2.124 2.841 . 0 0 "[ . 1 . 2]" 1
713 1 52 ARG QB 1 53 MET H 3.309 . 4.678 3.454 3.031 3.928 . 0 0 "[ . 1 . 2]" 1
714 1 52 ARG HD2 1 52 ARG HG2 2.362 . 3.059 2.107 1.997 2.263 . 0 0 "[ . 1 . 2]" 1
715 1 52 ARG QG 1 53 MET H 4.043 . 6.087 3.929 2.721 4.719 . 0 0 "[ . 1 . 2]" 1
716 1 53 MET H 1 53 MET HA 2.920 . 3.986 2.809 2.254 2.949 . 0 0 "[ . 1 . 2]" 1
717 1 53 MET H 1 53 MET HB3 3.300 . 4.661 3.122 2.404 4.053 . 0 0 "[ . 1 . 2]" 1
718 1 53 MET H 1 53 MET QG 2.991 . 4.109 3.257 2.334 4.180 0.071 10 0 "[ . 1 . 2]" 1
719 1 53 MET H 1 54 LYS H 2.695 . 3.603 2.443 1.793 2.885 . 0 0 "[ . 1 . 2]" 1
720 1 53 MET HA 1 54 LYS H 2.660 . 3.544 3.184 2.641 3.525 . 0 0 "[ . 1 . 2]" 1
721 1 53 MET HG3 1 54 LYS H 3.733 . 5.475 4.506 2.463 5.996 0.521 8 1 "[ . + 1 . 2]" 1
722 1 54 LYS H 1 54 LYS QB 2.658 . 3.541 2.434 2.183 2.927 . 0 0 "[ . 1 . 2]" 1
723 1 54 LYS H 1 54 LYS QG 3.354 . 4.760 3.855 2.033 4.238 . 0 0 "[ . 1 . 2]" 1
724 1 54 LYS H 1 55 GLU H 3.293 . 4.649 3.458 1.997 4.586 . 0 0 "[ . 1 . 2]" 1
725 1 54 LYS HA 1 54 LYS QB 2.810 . 3.797 2.375 2.185 2.430 . 0 0 "[ . 1 . 2]" 1
726 1 54 LYS HA 1 54 LYS QG 3.225 . 4.525 2.684 2.368 3.350 . 0 0 "[ . 1 . 2]" 1
727 1 54 LYS HA 1 55 GLU H 2.516 . 3.307 2.366 2.095 2.779 . 0 0 "[ . 1 . 2]" 1
728 1 54 LYS QB 1 54 LYS HE3 4.828 . 7.741 3.951 2.007 4.502 . 0 0 "[ . 1 . 2]" 1
729 1 54 LYS QB 1 54 LYS QG 2.727 . 3.657 2.055 1.994 2.095 . 0 0 "[ . 1 . 2]" 1
730 1 54 LYS QB 1 55 GLU H 3.316 . 4.690 3.599 2.057 4.040 . 0 0 "[ . 1 . 2]" 1
731 1 54 LYS HD2 1 54 LYS HE3 2.364 . 3.063 2.545 2.351 3.015 . 0 0 "[ . 1 . 2]" 1
732 1 54 LYS HE3 1 54 LYS QG . . 3.207 2.800 2.347 3.489 0.282 8 0 "[ . 1 . 2]" 1
733 1 54 LYS QG 1 56 SER H 4.087 . 6.175 4.558 3.410 7.582 1.407 7 1 "[ . + 1 . 2]" 1
734 1 55 GLU H 1 55 GLU HB2 3.947 . 5.895 2.946 2.396 3.861 . 0 0 "[ . 1 . 2]" 1
735 1 55 GLU H 1 55 GLU HB3 2.756 . 3.705 2.989 2.488 3.801 0.096 2 0 "[ . 1 . 2]" 1
736 1 55 GLU H 1 55 GLU QG 3.633 . 5.283 3.551 1.927 4.192 0.056 17 0 "[ . 1 . 2]" 1
737 1 55 GLU HA 1 55 GLU HB2 2.169 . 2.757 2.616 2.434 3.026 0.269 15 0 "[ . 1 . 2]" 1
738 1 55 GLU HA 1 55 GLU HB3 2.707 . 3.623 2.815 2.369 3.026 . 0 0 "[ . 1 . 2]" 1
739 1 55 GLU HA 1 55 GLU HG3 3.366 . 4.783 2.995 2.453 3.875 . 0 0 "[ . 1 . 2]" 1
740 1 55 GLU HA 1 56 SER H 2.336 . 3.018 2.346 2.120 3.480 0.462 1 0 "[ . 1 . 2]" 1
741 1 55 GLU HB2 1 56 SER H 3.721 . 5.451 4.322 3.798 4.601 . 0 0 "[ . 1 . 2]" 1
742 1 55 GLU HB3 1 56 SER H 4.083 . 6.167 4.210 2.872 4.606 . 0 0 "[ . 1 . 2]" 1
743 1 56 SER H 1 56 SER HB3 3.135 . 4.364 3.271 2.595 4.014 . 0 0 "[ . 1 . 2]" 1
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