NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
581783 |
2mf3   |
19535 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mf3
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 543
_Distance_constraint_stats_list.Viol_count 439
_Distance_constraint_stats_list.Viol_total 54.659
_Distance_constraint_stats_list.Viol_max 0.034
_Distance_constraint_stats_list.Viol_rms 0.0020
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0062
_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 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLU 0.000 0.000 7 0 "[ . 1 . 2]"
1 4 CYS 0.008 0.002 17 0 "[ . 1 . 2]"
1 5 MET 0.089 0.004 18 0 "[ . 1 . 2]"
1 6 THR 0.044 0.003 12 0 "[ . 1 . 2]"
1 7 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLY 0.019 0.004 14 0 "[ . 1 . 2]"
1 9 THR 0.034 0.004 15 0 "[ . 1 . 2]"
1 10 VAL 0.019 0.003 18 0 "[ . 1 . 2]"
1 11 CYS 0.010 0.003 11 0 "[ . 1 . 2]"
1 12 TYR 0.013 0.004 13 0 "[ . 1 . 2]"
1 13 ILE 0.079 0.006 8 0 "[ . 1 . 2]"
1 14 HIS 0.002 0.002 4 0 "[ . 1 . 2]"
1 15 ASN 0.069 0.012 18 0 "[ . 1 . 2]"
1 16 HIS 0.071 0.012 18 0 "[ . 1 . 2]"
1 17 ASN 0.009 0.004 14 0 "[ . 1 . 2]"
1 18 ASP 0.002 0.002 14 0 "[ . 1 . 2]"
1 19 CYS 0.892 0.028 14 0 "[ . 1 . 2]"
1 20 CYS 0.100 0.007 13 0 "[ . 1 . 2]"
1 21 GLY 0.006 0.002 5 0 "[ . 1 . 2]"
1 22 SER 0.490 0.025 6 0 "[ . 1 . 2]"
1 23 CYS 0.069 0.006 8 0 "[ . 1 . 2]"
1 24 LEU 0.666 0.017 18 0 "[ . 1 . 2]"
1 25 CYS 0.391 0.017 18 0 "[ . 1 . 2]"
1 26 SER 0.032 0.004 20 0 "[ . 1 . 2]"
1 27 ASN 0.000 0.000 13 0 "[ . 1 . 2]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ILE 0.020 0.007 14 0 "[ . 1 . 2]"
1 31 ALA 0.017 0.007 14 0 "[ . 1 . 2]"
1 32 ARG 0.029 0.007 8 0 "[ . 1 . 2]"
1 33 PRO 0.008 0.005 7 0 "[ . 1 . 2]"
1 34 TRP 0.014 0.004 8 0 "[ . 1 . 2]"
1 35 GLU 0.009 0.007 8 0 "[ . 1 . 2]"
1 36 MET 0.002 0.002 17 0 "[ . 1 . 2]"
1 37 MET 0.006 0.002 17 0 "[ . 1 . 2]"
1 38 VAL 0.006 0.002 15 0 "[ . 1 . 2]"
1 39 GLY 0.011 0.003 14 0 "[ . 1 . 2]"
1 40 ASN 0.027 0.010 16 0 "[ . 1 . 2]"
1 41 CYS 0.067 0.010 16 0 "[ . 1 . 2]"
1 42 MET 0.234 0.007 10 0 "[ . 1 . 2]"
1 43 CYS 0.829 0.034 16 0 "[ . 1 . 2]"
1 44 GLY 1.041 0.034 16 0 "[ . 1 . 2]"
1 45 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LYS 0.014 0.006 13 0 "[ . 1 . 2]"
1 47 ALA 0.002 0.002 13 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 SER QB 1 2 LYS H . . 5.470 3.078 2.016 4.041 . 0 0 "[ . 1 . 2]" 1
2 1 2 LYS HA 1 3 GLU H . . 3.420 2.318 2.156 2.511 . 0 0 "[ . 1 . 2]" 1
3 1 2 LYS QB 1 3 GLU H . . 4.190 3.213 2.215 3.727 . 0 0 "[ . 1 . 2]" 1
4 1 2 LYS QG 1 3 GLU H . . 5.500 2.508 2.032 3.330 . 0 0 "[ . 1 . 2]" 1
5 1 2 LYS QG 1 3 GLU HB2 . . 5.490 4.559 3.818 5.490 . 0 0 "[ . 1 . 2]" 1
6 1 2 LYS QG 1 3 GLU QB . . 4.630 4.190 3.697 4.616 . 0 0 "[ . 1 . 2]" 1
7 1 2 LYS QG 1 3 GLU HB3 . . 5.490 5.098 4.655 5.490 . 0 0 "[ . 1 . 2]" 1
8 1 2 LYS QG 1 3 GLU QG . . 5.400 4.596 3.595 5.396 . 0 0 "[ . 1 . 2]" 1
9 1 3 GLU H 1 3 GLU QB . . 3.430 2.501 2.157 3.114 . 0 0 "[ . 1 . 2]" 1
10 1 3 GLU H 1 3 GLU QG . . 4.570 2.894 2.046 4.013 . 0 0 "[ . 1 . 2]" 1
11 1 3 GLU H 1 4 CYS H . . 4.150 3.989 3.660 4.150 0.000 7 0 "[ . 1 . 2]" 1
12 1 3 GLU HA 1 4 CYS H . . 3.000 2.254 2.141 2.365 . 0 0 "[ . 1 . 2]" 1
13 1 3 GLU QB 1 4 CYS H . . 4.080 3.766 3.411 4.041 . 0 0 "[ . 1 . 2]" 1
14 1 3 GLU HB2 1 4 CYS H . . 4.780 4.399 3.584 4.601 . 0 0 "[ . 1 . 2]" 1
15 1 3 GLU HB3 1 4 CYS H . . 4.780 4.147 3.725 4.508 . 0 0 "[ . 1 . 2]" 1
16 1 4 CYS H 1 4 CYS HB3 . . 3.700 2.931 2.575 3.449 . 0 0 "[ . 1 . 2]" 1
17 1 4 CYS H 1 5 MET H . . 4.780 4.439 4.359 4.534 . 0 0 "[ . 1 . 2]" 1
18 1 4 CYS HA 1 5 MET H . . 2.980 2.662 2.595 2.679 . 0 0 "[ . 1 . 2]" 1
19 1 4 CYS HA 1 5 MET HG3 . . 3.990 3.339 3.280 3.398 . 0 0 "[ . 1 . 2]" 1
20 1 4 CYS HB2 1 5 MET H . . 3.350 1.962 1.948 2.097 . 0 0 "[ . 1 . 2]" 1
21 1 4 CYS HB2 1 5 MET HG2 . . 5.500 5.495 5.466 5.502 0.002 17 0 "[ . 1 . 2]" 1
22 1 4 CYS HB2 1 5 MET HG3 . . 4.500 4.304 4.250 4.380 . 0 0 "[ . 1 . 2]" 1
23 1 4 CYS HB2 1 20 CYS H . . 3.980 1.950 1.948 1.958 . 0 0 "[ . 1 . 2]" 1
24 1 4 CYS HB2 1 20 CYS HA . . 3.950 3.906 3.743 3.942 . 0 0 "[ . 1 . 2]" 1
25 1 4 CYS HB3 1 5 MET H . . 3.750 3.499 3.463 3.605 . 0 0 "[ . 1 . 2]" 1
26 1 4 CYS HB3 1 20 CYS H . . 3.940 3.280 3.259 3.337 . 0 0 "[ . 1 . 2]" 1
27 1 4 CYS HB3 1 20 CYS HA . . 4.140 4.083 3.923 4.123 . 0 0 "[ . 1 . 2]" 1
28 1 5 MET H 1 5 MET HB2 . . 3.210 2.714 2.679 2.747 . 0 0 "[ . 1 . 2]" 1
29 1 5 MET H 1 5 MET HB3 . . 4.060 3.784 3.769 3.796 . 0 0 "[ . 1 . 2]" 1
30 1 5 MET H 1 5 MET ME . . 4.300 3.605 3.502 3.706 . 0 0 "[ . 1 . 2]" 1
31 1 5 MET H 1 5 MET HG2 . . 3.840 3.744 3.585 3.773 . 0 0 "[ . 1 . 2]" 1
32 1 5 MET H 1 5 MET HG3 . . 3.260 2.645 2.502 2.693 . 0 0 "[ . 1 . 2]" 1
33 1 5 MET H 1 6 THR H . . 5.100 4.493 4.487 4.507 . 0 0 "[ . 1 . 2]" 1
34 1 5 MET H 1 19 CYS HA . . 3.490 2.432 2.184 2.556 . 0 0 "[ . 1 . 2]" 1
35 1 5 MET H 1 20 CYS H . . 3.810 2.893 2.874 2.943 . 0 0 "[ . 1 . 2]" 1
36 1 5 MET H 1 20 CYS HA . . 5.500 5.502 5.500 5.504 0.004 18 0 "[ . 1 . 2]" 1
37 1 5 MET HA 1 5 MET HG2 . . 3.710 2.655 2.610 2.699 . 0 0 "[ . 1 . 2]" 1
38 1 5 MET HA 1 5 MET HG3 . . 4.220 3.216 3.202 3.285 . 0 0 "[ . 1 . 2]" 1
39 1 5 MET HA 1 6 THR H . . 3.020 2.405 2.368 2.410 . 0 0 "[ . 1 . 2]" 1
40 1 5 MET HA 1 6 THR MG . . 4.680 3.719 3.384 4.010 . 0 0 "[ . 1 . 2]" 1
41 1 5 MET HB2 1 6 THR H . . 4.260 3.468 3.432 3.516 . 0 0 "[ . 1 . 2]" 1
42 1 5 MET HB2 1 9 THR HB . . 4.450 3.579 3.403 3.694 . 0 0 "[ . 1 . 2]" 1
43 1 5 MET HB2 1 9 THR MG . . 4.220 3.820 3.631 3.925 . 0 0 "[ . 1 . 2]" 1
44 1 5 MET HB2 1 20 CYS H . . 5.120 4.844 4.767 4.915 . 0 0 "[ . 1 . 2]" 1
45 1 5 MET HB3 1 6 THR H . . 3.580 2.475 2.452 2.562 . 0 0 "[ . 1 . 2]" 1
46 1 5 MET HB3 1 9 THR H . . 5.500 5.195 5.156 5.248 . 0 0 "[ . 1 . 2]" 1
47 1 5 MET HB3 1 9 THR HB . . 3.910 3.322 3.269 3.491 . 0 0 "[ . 1 . 2]" 1
48 1 5 MET HB3 1 9 THR MG . . 3.760 3.352 3.263 3.382 . 0 0 "[ . 1 . 2]" 1
49 1 5 MET ME 1 5 MET HG3 . . 3.690 2.374 2.296 2.461 . 0 0 "[ . 1 . 2]" 1
50 1 5 MET ME 1 9 THR H . . 5.270 5.061 4.946 5.133 . 0 0 "[ . 1 . 2]" 1
51 1 5 MET ME 1 9 THR HA . . 5.260 5.228 5.120 5.258 . 0 0 "[ . 1 . 2]" 1
52 1 5 MET ME 1 9 THR HB . . 4.110 3.025 2.867 3.125 . 0 0 "[ . 1 . 2]" 1
53 1 5 MET ME 1 9 THR MG . . 3.700 2.541 2.386 2.605 . 0 0 "[ . 1 . 2]" 1
54 1 5 MET ME 1 11 CYS HA . . 3.940 3.822 3.719 3.942 0.002 15 0 "[ . 1 . 2]" 1
55 1 5 MET ME 1 11 CYS HB2 . . 4.050 3.953 3.797 4.053 0.003 11 0 "[ . 1 . 2]" 1
56 1 5 MET ME 1 11 CYS HB3 . . 3.590 3.314 3.216 3.590 0.000 11 0 "[ . 1 . 2]" 1
57 1 5 MET ME 1 12 TYR H . . 5.340 5.011 4.878 5.192 . 0 0 "[ . 1 . 2]" 1
58 1 5 MET ME 1 17 ASN QB . . 4.450 3.103 2.450 3.330 . 0 0 "[ . 1 . 2]" 1
59 1 5 MET ME 1 18 ASP H . . 4.370 4.134 3.951 4.284 . 0 0 "[ . 1 . 2]" 1
60 1 5 MET ME 1 19 CYS H . . 5.500 4.882 4.764 4.989 . 0 0 "[ . 1 . 2]" 1
61 1 5 MET ME 1 19 CYS HA . . 4.280 3.779 3.691 3.908 . 0 0 "[ . 1 . 2]" 1
62 1 5 MET ME 1 20 CYS H . . 5.490 5.345 5.279 5.462 . 0 0 "[ . 1 . 2]" 1
63 1 5 MET HG2 1 6 THR H . . 4.510 4.300 4.249 4.399 . 0 0 "[ . 1 . 2]" 1
64 1 5 MET HG2 1 9 THR MG . . 4.240 4.242 4.240 4.244 0.004 15 0 "[ . 1 . 2]" 1
65 1 5 MET HG3 1 6 THR H . . 5.000 4.937 4.928 4.981 . 0 0 "[ . 1 . 2]" 1
66 1 5 MET HG3 1 9 THR MG . . 4.830 4.633 4.501 4.703 . 0 0 "[ . 1 . 2]" 1
67 1 6 THR H 1 6 THR HB . . 3.840 3.645 3.593 3.690 . 0 0 "[ . 1 . 2]" 1
68 1 6 THR H 1 6 THR MG . . 3.160 2.732 2.354 3.001 . 0 0 "[ . 1 . 2]" 1
69 1 6 THR H 1 9 THR HB . . 4.710 4.519 4.445 4.710 . 0 0 "[ . 1 . 2]" 1
70 1 6 THR H 1 9 THR MG . . 5.350 5.045 4.993 5.159 . 0 0 "[ . 1 . 2]" 1
71 1 6 THR HA 1 6 THR MG . . 3.430 2.267 2.106 2.427 . 0 0 "[ . 1 . 2]" 1
72 1 6 THR HA 1 7 ASP H . . 2.850 2.564 2.562 2.565 . 0 0 "[ . 1 . 2]" 1
73 1 6 THR HA 1 20 CYS HB2 . . 4.390 4.236 4.102 4.281 . 0 0 "[ . 1 . 2]" 1
74 1 6 THR HA 1 20 CYS HB3 . . 5.500 5.502 5.501 5.503 0.003 12 0 "[ . 1 . 2]" 1
75 1 6 THR HB 1 7 ASP H . . 3.250 2.057 2.034 2.158 . 0 0 "[ . 1 . 2]" 1
76 1 6 THR MG 1 7 ASP H . . 3.940 3.441 3.235 3.737 . 0 0 "[ . 1 . 2]" 1
77 1 6 THR MG 1 20 CYS HB2 . . 5.230 4.600 4.400 4.844 . 0 0 "[ . 1 . 2]" 1
78 1 7 ASP H 1 7 ASP HB2 . . 3.760 3.474 2.787 3.599 . 0 0 "[ . 1 . 2]" 1
79 1 7 ASP H 1 7 ASP QB . . 3.090 2.492 2.365 2.695 . 0 0 "[ . 1 . 2]" 1
80 1 7 ASP H 1 7 ASP HB3 . . 3.760 2.661 2.400 3.571 . 0 0 "[ . 1 . 2]" 1
81 1 7 ASP H 1 8 GLY H . . 4.810 4.635 4.632 4.638 . 0 0 "[ . 1 . 2]" 1
82 1 7 ASP HA 1 8 GLY H . . 2.830 2.288 2.287 2.289 . 0 0 "[ . 1 . 2]" 1
83 1 7 ASP HA 1 9 THR H . . 4.670 3.258 3.252 3.263 . 0 0 "[ . 1 . 2]" 1
84 1 7 ASP HA 1 43 CYS HB2 . . 3.630 2.324 2.128 2.459 . 0 0 "[ . 1 . 2]" 1
85 1 7 ASP QB 1 8 GLY H . . 3.450 2.720 2.700 2.751 . 0 0 "[ . 1 . 2]" 1
86 1 7 ASP QB 1 8 GLY HA2 . . 4.700 4.233 4.133 4.330 . 0 0 "[ . 1 . 2]" 1
87 1 7 ASP QB 1 44 GLY HA2 . . 3.850 1.936 1.892 2.155 . 0 0 "[ . 1 . 2]" 1
88 1 7 ASP QB 1 44 GLY HA3 . . 4.670 3.362 3.226 3.490 . 0 0 "[ . 1 . 2]" 1
89 1 7 ASP QB 1 45 PRO QD . . 4.790 2.465 2.336 2.939 . 0 0 "[ . 1 . 2]" 1
90 1 7 ASP HB2 1 44 GLY HA2 . . 4.570 2.434 2.074 3.624 . 0 0 "[ . 1 . 2]" 1
91 1 7 ASP HB3 1 44 GLY HA2 . . 4.570 2.097 1.998 2.276 . 0 0 "[ . 1 . 2]" 1
92 1 8 GLY H 1 9 THR H . . 3.390 2.553 2.536 2.573 . 0 0 "[ . 1 . 2]" 1
93 1 8 GLY H 1 42 MET HB3 . . 4.360 2.987 2.808 3.163 . 0 0 "[ . 1 . 2]" 1
94 1 8 GLY H 1 42 MET QG . . 4.590 4.397 3.861 4.591 0.001 3 0 "[ . 1 . 2]" 1
95 1 8 GLY H 1 43 CYS HB2 . . 3.970 3.244 3.132 3.415 . 0 0 "[ . 1 . 2]" 1
96 1 8 GLY H 1 43 CYS HB3 . . 4.740 4.458 4.302 4.639 . 0 0 "[ . 1 . 2]" 1
97 1 8 GLY HA2 1 42 MET HB3 . . 3.970 3.592 3.458 3.651 . 0 0 "[ . 1 . 2]" 1
98 1 8 GLY HA2 1 42 MET ME . . 5.260 5.105 4.365 5.261 0.001 14 0 "[ . 1 . 2]" 1
99 1 8 GLY HA2 1 42 MET QG . . 4.460 4.060 3.455 4.382 . 0 0 "[ . 1 . 2]" 1
100 1 8 GLY HA3 1 42 MET HB3 . . 4.960 4.938 4.811 4.964 0.004 14 0 "[ . 1 . 2]" 1
101 1 9 THR H 1 9 THR HB . . 3.040 2.505 2.497 2.523 . 0 0 "[ . 1 . 2]" 1
102 1 9 THR H 1 9 THR MG . . 3.860 3.793 3.783 3.800 . 0 0 "[ . 1 . 2]" 1
103 1 9 THR H 1 10 VAL H . . 4.710 4.453 4.418 4.486 . 0 0 "[ . 1 . 2]" 1
104 1 9 THR H 1 42 MET HB3 . . 4.550 3.963 3.798 4.194 . 0 0 "[ . 1 . 2]" 1
105 1 9 THR H 1 43 CYS H . . 4.230 3.636 3.560 3.696 . 0 0 "[ . 1 . 2]" 1
106 1 9 THR H 1 43 CYS HB2 . . 3.440 3.078 2.953 3.214 . 0 0 "[ . 1 . 2]" 1
107 1 9 THR HA 1 9 THR MG . . 3.110 2.407 2.345 2.414 . 0 0 "[ . 1 . 2]" 1
108 1 9 THR HA 1 10 VAL H . . 2.930 2.147 2.141 2.155 . 0 0 "[ . 1 . 2]" 1
109 1 9 THR HB 1 10 VAL H . . 4.300 4.238 4.185 4.282 . 0 0 "[ . 1 . 2]" 1
110 1 9 THR HB 1 43 CYS H . . 4.990 4.416 4.156 4.553 . 0 0 "[ . 1 . 2]" 1
111 1 9 THR HB 1 43 CYS HB2 . . 4.360 3.606 3.384 3.805 . 0 0 "[ . 1 . 2]" 1
112 1 9 THR MG 1 10 VAL H . . 3.210 2.743 2.638 2.835 . 0 0 "[ . 1 . 2]" 1
113 1 9 THR MG 1 10 VAL HA . . 5.020 4.195 4.148 4.288 . 0 0 "[ . 1 . 2]" 1
114 1 9 THR MG 1 43 CYS HB2 . . 5.500 4.825 4.660 5.022 . 0 0 "[ . 1 . 2]" 1
115 1 10 VAL H 1 10 VAL HB . . 3.100 2.617 2.595 2.684 . 0 0 "[ . 1 . 2]" 1
116 1 10 VAL H 1 10 VAL MG1 . . 3.870 3.764 3.757 3.766 . 0 0 "[ . 1 . 2]" 1
117 1 10 VAL H 1 10 VAL MG2 . . 3.180 1.989 1.924 2.196 . 0 0 "[ . 1 . 2]" 1
118 1 10 VAL H 1 11 CYS H . . 4.750 4.597 4.479 4.630 . 0 0 "[ . 1 . 2]" 1
119 1 10 VAL H 1 43 CYS H . . 5.500 5.164 4.956 5.402 . 0 0 "[ . 1 . 2]" 1
120 1 10 VAL HA 1 10 VAL MG1 . . 3.540 2.316 2.255 2.389 . 0 0 "[ . 1 . 2]" 1
121 1 10 VAL HA 1 10 VAL MG2 . . 3.320 2.388 2.290 2.434 . 0 0 "[ . 1 . 2]" 1
122 1 10 VAL HA 1 11 CYS H . . 2.950 2.197 2.140 2.237 . 0 0 "[ . 1 . 2]" 1
123 1 10 VAL HA 1 41 CYS H . . 5.500 5.494 5.460 5.503 0.003 18 0 "[ . 1 . 2]" 1
124 1 10 VAL HA 1 42 MET HA . . 3.210 2.655 2.392 2.953 . 0 0 "[ . 1 . 2]" 1
125 1 10 VAL HA 1 42 MET HB2 . . 5.300 4.473 4.290 4.856 . 0 0 "[ . 1 . 2]" 1
126 1 10 VAL HA 1 42 MET HB3 . . 4.600 3.729 3.441 4.269 . 0 0 "[ . 1 . 2]" 1
127 1 10 VAL HA 1 42 MET QG . . 3.970 1.936 1.893 1.990 . 0 0 "[ . 1 . 2]" 1
128 1 10 VAL HA 1 43 CYS H . . 4.430 3.946 3.665 4.270 . 0 0 "[ . 1 . 2]" 1
129 1 10 VAL HB 1 11 CYS H . . 4.470 4.023 3.860 4.290 . 0 0 "[ . 1 . 2]" 1
130 1 10 VAL MG1 1 11 CYS H . . 3.770 2.270 2.031 2.616 . 0 0 "[ . 1 . 2]" 1
131 1 10 VAL MG1 1 11 CYS HA . . 4.620 3.499 3.336 3.710 . 0 0 "[ . 1 . 2]" 1
132 1 10 VAL MG1 1 12 TYR QE . . 4.000 2.690 2.222 3.234 . 0 0 "[ . 1 . 2]" 1
133 1 10 VAL MG1 1 40 ASN QB . . 4.090 3.500 3.263 3.807 . 0 0 "[ . 1 . 2]" 1
134 1 10 VAL MG1 1 42 MET HG2 . . 5.500 4.112 3.587 4.957 . 0 0 "[ . 1 . 2]" 1
135 1 10 VAL MG1 1 42 MET HG3 . . 5.500 3.351 2.960 3.930 . 0 0 "[ . 1 . 2]" 1
136 1 10 VAL MG2 1 11 CYS H . . 4.110 3.952 3.888 4.096 . 0 0 "[ . 1 . 2]" 1
137 1 10 VAL MG2 1 40 ASN HB2 . . 5.070 4.637 4.011 5.065 . 0 0 "[ . 1 . 2]" 1
138 1 10 VAL MG2 1 40 ASN QB . . 4.430 3.923 3.785 4.085 . 0 0 "[ . 1 . 2]" 1
139 1 10 VAL MG2 1 40 ASN HB3 . . 5.070 4.400 4.014 5.036 . 0 0 "[ . 1 . 2]" 1
140 1 10 VAL MG2 1 40 ASN QD . . 5.040 4.252 2.834 4.981 . 0 0 "[ . 1 . 2]" 1
141 1 10 VAL MG2 1 41 CYS H . . 5.500 5.380 5.222 5.503 0.003 8 0 "[ . 1 . 2]" 1
142 1 10 VAL MG2 1 42 MET HA . . 4.790 4.362 4.030 4.665 . 0 0 "[ . 1 . 2]" 1
143 1 10 VAL MG2 1 42 MET HG2 . . 5.110 2.807 2.123 3.605 . 0 0 "[ . 1 . 2]" 1
144 1 10 VAL MG2 1 42 MET QG . . 4.330 2.467 2.018 2.952 . 0 0 "[ . 1 . 2]" 1
145 1 10 VAL MG2 1 42 MET HG3 . . 5.110 2.828 2.472 3.146 . 0 0 "[ . 1 . 2]" 1
146 1 11 CYS H 1 11 CYS HB3 . . 4.130 3.209 2.991 3.304 . 0 0 "[ . 1 . 2]" 1
147 1 11 CYS H 1 41 CYS HB2 . . 5.030 4.757 4.707 4.832 . 0 0 "[ . 1 . 2]" 1
148 1 11 CYS H 1 42 MET H . . 5.500 5.029 4.637 5.272 . 0 0 "[ . 1 . 2]" 1
149 1 11 CYS H 1 42 MET HA . . 3.450 2.549 2.031 2.837 . 0 0 "[ . 1 . 2]" 1
150 1 11 CYS H 1 43 CYS H . . 4.700 4.181 3.838 4.370 . 0 0 "[ . 1 . 2]" 1
151 1 11 CYS HA 1 12 TYR H . . 2.940 2.361 2.318 2.456 . 0 0 "[ . 1 . 2]" 1
152 1 11 CYS HB2 1 12 TYR H . . 3.210 2.569 2.378 2.687 . 0 0 "[ . 1 . 2]" 1
153 1 11 CYS HB2 1 43 CYS H . . 5.500 5.206 4.954 5.390 . 0 0 "[ . 1 . 2]" 1
154 1 11 CYS HB3 1 12 TYR H . . 4.090 3.883 3.762 3.983 . 0 0 "[ . 1 . 2]" 1
155 1 11 CYS HB3 1 43 CYS H . . 5.280 3.733 3.372 3.931 . 0 0 "[ . 1 . 2]" 1
156 1 12 TYR H 1 12 TYR HB2 . . 3.470 2.614 2.514 2.749 . 0 0 "[ . 1 . 2]" 1
157 1 12 TYR H 1 12 TYR HB3 . . 3.970 3.648 3.582 3.741 . 0 0 "[ . 1 . 2]" 1
158 1 12 TYR H 1 12 TYR QD . . 3.780 3.626 3.172 3.782 0.002 12 0 "[ . 1 . 2]" 1
159 1 12 TYR H 1 13 ILE H . . 4.390 4.283 4.195 4.378 . 0 0 "[ . 1 . 2]" 1
160 1 12 TYR H 1 13 ILE MD . . 5.500 4.819 4.633 5.107 . 0 0 "[ . 1 . 2]" 1
161 1 12 TYR HA 1 12 TYR QD . . 3.260 2.916 2.683 3.039 . 0 0 "[ . 1 . 2]" 1
162 1 12 TYR HA 1 13 ILE H . . 2.990 2.166 2.147 2.230 . 0 0 "[ . 1 . 2]" 1
163 1 12 TYR HA 1 13 ILE MD . . 4.920 3.807 3.120 4.055 . 0 0 "[ . 1 . 2]" 1
164 1 12 TYR HA 1 13 ILE QG . . 4.990 3.715 3.570 4.201 . 0 0 "[ . 1 . 2]" 1
165 1 12 TYR HB2 1 13 ILE H . . 4.420 4.363 4.209 4.424 0.004 13 0 "[ . 1 . 2]" 1
166 1 12 TYR HB2 1 15 ASN H . . 4.530 3.922 3.845 4.016 . 0 0 "[ . 1 . 2]" 1
167 1 12 TYR HB3 1 13 ILE H . . 3.610 3.309 3.018 3.431 . 0 0 "[ . 1 . 2]" 1
168 1 12 TYR HB3 1 15 ASN QB . . 3.690 2.335 2.142 2.824 . 0 0 "[ . 1 . 2]" 1
169 1 12 TYR QD 1 13 ILE H . . 4.750 3.545 3.022 4.249 . 0 0 "[ . 1 . 2]" 1
170 1 12 TYR QD 1 15 ASN QB . . 4.980 3.617 3.426 4.052 . 0 0 "[ . 1 . 2]" 1
171 1 13 ILE H 1 13 ILE HB . . 3.170 2.633 2.542 2.660 . 0 0 "[ . 1 . 2]" 1
172 1 13 ILE H 1 13 ILE MD . . 5.070 2.708 1.956 2.941 . 0 0 "[ . 1 . 2]" 1
173 1 13 ILE H 1 13 ILE HG12 . . 3.870 2.322 1.946 3.826 . 0 0 "[ . 1 . 2]" 1
174 1 13 ILE H 1 13 ILE QG . . 3.350 2.101 1.937 2.766 . 0 0 "[ . 1 . 2]" 1
175 1 13 ILE H 1 13 ILE HG13 . . 3.870 3.375 2.796 3.516 . 0 0 "[ . 1 . 2]" 1
176 1 13 ILE H 1 13 ILE MG . . 3.820 3.763 3.760 3.771 . 0 0 "[ . 1 . 2]" 1
177 1 13 ILE H 1 14 HIS HB3 . . 5.500 5.284 5.133 5.367 . 0 0 "[ . 1 . 2]" 1
178 1 13 ILE H 1 15 ASN QB . . 5.500 4.784 4.686 4.847 . 0 0 "[ . 1 . 2]" 1
179 1 13 ILE HA 1 13 ILE MD . . 3.780 2.393 2.007 3.496 . 0 0 "[ . 1 . 2]" 1
180 1 13 ILE HA 1 13 ILE HG12 . . 4.100 3.260 3.190 3.481 . 0 0 "[ . 1 . 2]" 1
181 1 13 ILE HA 1 13 ILE QG . . 3.590 2.894 2.315 3.049 . 0 0 "[ . 1 . 2]" 1
182 1 13 ILE HA 1 13 ILE HG13 . . 4.100 3.477 2.351 3.765 . 0 0 "[ . 1 . 2]" 1
183 1 13 ILE HA 1 13 ILE MG . . 3.670 2.285 2.249 2.370 . 0 0 "[ . 1 . 2]" 1
184 1 13 ILE HA 1 14 HIS HB2 . . 5.500 5.389 5.367 5.440 . 0 0 "[ . 1 . 2]" 1
185 1 13 ILE HA 1 15 ASN QB . . 5.130 5.037 4.734 5.124 . 0 0 "[ . 1 . 2]" 1
186 1 13 ILE HB 1 13 ILE MD . . 3.620 2.994 2.056 3.229 . 0 0 "[ . 1 . 2]" 1
187 1 13 ILE HB 1 14 HIS H . . 4.380 3.051 3.010 3.122 . 0 0 "[ . 1 . 2]" 1
188 1 13 ILE MD 1 23 CYS H . . 5.400 4.418 3.985 5.401 0.001 17 0 "[ . 1 . 2]" 1
189 1 13 ILE MD 1 23 CYS HB2 . . 4.210 2.870 2.571 3.557 . 0 0 "[ . 1 . 2]" 1
190 1 13 ILE MG 1 14 HIS H . . 4.090 3.888 3.772 3.939 . 0 0 "[ . 1 . 2]" 1
191 1 13 ILE MG 1 14 HIS HA . . 4.560 3.919 3.728 4.018 . 0 0 "[ . 1 . 2]" 1
192 1 13 ILE MG 1 14 HIS HB2 . . 4.820 4.264 3.984 4.413 . 0 0 "[ . 1 . 2]" 1
193 1 13 ILE MG 1 14 HIS HD2 . . 4.700 4.580 4.457 4.681 . 0 0 "[ . 1 . 2]" 1
194 1 13 ILE MG 1 23 CYS HB2 . . 5.500 5.503 5.501 5.506 0.006 8 0 "[ . 1 . 2]" 1
195 1 14 HIS H 1 14 HIS HB2 . . 3.760 2.634 2.542 2.710 . 0 0 "[ . 1 . 2]" 1
196 1 14 HIS H 1 14 HIS HD2 . . 5.080 4.920 4.842 5.013 . 0 0 "[ . 1 . 2]" 1
197 1 14 HIS H 1 15 ASN H . . 3.870 2.737 2.672 2.783 . 0 0 "[ . 1 . 2]" 1
198 1 14 HIS HA 1 14 HIS HD2 . . 4.280 2.425 2.270 2.538 . 0 0 "[ . 1 . 2]" 1
199 1 14 HIS HA 1 15 ASN H . . 3.500 2.897 2.874 2.982 . 0 0 "[ . 1 . 2]" 1
200 1 14 HIS HA 1 16 HIS H . . 3.640 3.461 3.396 3.591 . 0 0 "[ . 1 . 2]" 1
201 1 14 HIS HB2 1 14 HIS HD2 . . 3.600 3.207 3.137 3.314 . 0 0 "[ . 1 . 2]" 1
202 1 14 HIS HB2 1 15 ASN H . . 4.740 4.491 4.422 4.524 . 0 0 "[ . 1 . 2]" 1
203 1 14 HIS HB3 1 15 ASN H . . 4.290 4.120 4.035 4.141 . 0 0 "[ . 1 . 2]" 1
204 1 14 HIS HD2 1 16 HIS H . . 5.500 5.421 5.220 5.502 0.002 4 0 "[ . 1 . 2]" 1
205 1 15 ASN H 1 15 ASN QB . . 3.510 2.536 2.301 2.594 . 0 0 "[ . 1 . 2]" 1
206 1 15 ASN H 1 16 HIS H . . 3.590 2.154 1.960 2.215 . 0 0 "[ . 1 . 2]" 1
207 1 15 ASN H 1 16 HIS QB . . 5.260 4.748 4.467 4.891 . 0 0 "[ . 1 . 2]" 1
208 1 15 ASN QB 1 16 HIS H . . 3.680 3.596 3.103 3.692 0.012 18 0 "[ . 1 . 2]" 1
209 1 15 ASN QB 1 17 ASN H . . 3.600 3.132 2.667 3.424 . 0 0 "[ . 1 . 2]" 1
210 1 15 ASN HD21 1 16 HIS H . . 5.260 4.995 4.679 5.261 0.001 8 0 "[ . 1 . 2]" 1
211 1 16 HIS H 1 16 HIS QB . . 3.250 3.081 2.856 3.234 . 0 0 "[ . 1 . 2]" 1
212 1 16 HIS HA 1 17 ASN H . . 3.160 2.913 2.779 2.976 . 0 0 "[ . 1 . 2]" 1
213 1 16 HIS QB 1 17 ASN H . . 3.920 3.793 3.756 3.865 . 0 0 "[ . 1 . 2]" 1
214 1 17 ASN H 1 17 ASN QB . . 3.100 2.257 2.171 2.554 . 0 0 "[ . 1 . 2]" 1
215 1 17 ASN H 1 17 ASN HD21 . . 4.990 4.022 2.141 4.523 . 0 0 "[ . 1 . 2]" 1
216 1 17 ASN H 1 17 ASN QD . . 4.300 3.786 2.122 4.171 . 0 0 "[ . 1 . 2]" 1
217 1 17 ASN H 1 17 ASN HD22 . . 4.990 4.773 3.491 4.994 0.004 14 0 "[ . 1 . 2]" 1
218 1 17 ASN HA 1 18 ASP H . . 3.010 2.159 2.141 2.260 . 0 0 "[ . 1 . 2]" 1
219 1 17 ASN QB 1 18 ASP H . . 3.410 3.253 2.794 3.368 . 0 0 "[ . 1 . 2]" 1
220 1 17 ASN QD 1 18 ASP H . . 5.340 3.844 3.037 5.342 0.002 14 0 "[ . 1 . 2]" 1
221 1 18 ASP H 1 18 ASP HB2 . . 3.770 2.717 2.347 3.681 . 0 0 "[ . 1 . 2]" 1
222 1 18 ASP H 1 18 ASP QB . . 3.000 2.501 2.316 2.956 . 0 0 "[ . 1 . 2]" 1
223 1 18 ASP H 1 18 ASP HB3 . . 3.770 3.318 2.458 3.742 . 0 0 "[ . 1 . 2]" 1
224 1 18 ASP H 1 19 CYS H . . 4.260 4.202 4.200 4.208 . 0 0 "[ . 1 . 2]" 1
225 1 18 ASP HA 1 19 CYS H . . 3.480 2.155 2.154 2.156 . 0 0 "[ . 1 . 2]" 1
226 1 18 ASP QB 1 19 CYS H . . 4.190 3.650 3.514 3.926 . 0 0 "[ . 1 . 2]" 1
227 1 19 CYS H 1 19 CYS HB2 . . 3.370 2.362 2.359 2.366 . 0 0 "[ . 1 . 2]" 1
228 1 19 CYS HA 1 20 CYS H . . 3.240 2.168 2.163 2.174 . 0 0 "[ . 1 . 2]" 1
229 1 19 CYS HB2 1 20 CYS H . . 4.400 4.373 4.350 4.384 . 0 0 "[ . 1 . 2]" 1
230 1 19 CYS HB2 1 21 GLY H . . 4.220 4.020 3.945 4.054 . 0 0 "[ . 1 . 2]" 1
231 1 19 CYS HB2 1 43 CYS HA . . 5.340 4.561 4.506 4.667 . 0 0 "[ . 1 . 2]" 1
232 1 19 CYS HB2 1 43 CYS HB2 . . 5.080 5.075 5.028 5.090 0.010 10 0 "[ . 1 . 2]" 1
233 1 19 CYS HB2 1 43 CYS HB3 . . 4.470 4.138 4.039 4.178 . 0 0 "[ . 1 . 2]" 1
234 1 19 CYS HB2 1 44 GLY H . . 5.500 5.522 5.518 5.528 0.028 14 0 "[ . 1 . 2]" 1
235 1 19 CYS HB3 1 20 CYS H . . 4.210 3.315 3.271 3.338 . 0 0 "[ . 1 . 2]" 1
236 1 19 CYS HB3 1 21 GLY H . . 3.250 2.445 2.396 2.469 . 0 0 "[ . 1 . 2]" 1
237 1 19 CYS HB3 1 21 GLY HA2 . . 5.080 4.890 4.875 4.901 . 0 0 "[ . 1 . 2]" 1
238 1 19 CYS HB3 1 21 GLY HA3 . . 4.940 4.026 4.009 4.065 . 0 0 "[ . 1 . 2]" 1
239 1 19 CYS HB3 1 22 SER H . . 5.500 5.520 5.516 5.525 0.025 6 0 "[ . 1 . 2]" 1
240 1 19 CYS HB3 1 43 CYS HA . . 4.810 4.205 4.163 4.245 . 0 0 "[ . 1 . 2]" 1
241 1 19 CYS HB3 1 43 CYS HB2 . . 4.540 4.284 4.205 4.347 . 0 0 "[ . 1 . 2]" 1
242 1 19 CYS HB3 1 43 CYS HB3 . . 3.710 2.983 2.884 3.046 . 0 0 "[ . 1 . 2]" 1
243 1 19 CYS HB3 1 44 GLY H . . 4.780 4.583 4.523 4.633 . 0 0 "[ . 1 . 2]" 1
244 1 20 CYS H 1 20 CYS HB2 . . 3.470 2.226 2.214 2.248 . 0 0 "[ . 1 . 2]" 1
245 1 20 CYS H 1 20 CYS HB3 . . 3.660 3.519 3.512 3.530 . 0 0 "[ . 1 . 2]" 1
246 1 20 CYS H 1 21 GLY H . . 3.650 2.751 2.726 2.761 . 0 0 "[ . 1 . 2]" 1
247 1 20 CYS H 1 21 GLY HA3 . . 5.500 5.109 5.087 5.120 . 0 0 "[ . 1 . 2]" 1
248 1 20 CYS H 1 43 CYS HB3 . . 5.500 5.439 5.285 5.507 0.007 13 0 "[ . 1 . 2]" 1
249 1 20 CYS HB2 1 21 GLY H . . 3.430 3.092 3.068 3.120 . 0 0 "[ . 1 . 2]" 1
250 1 20 CYS HB3 1 21 GLY H . . 4.460 3.580 3.550 3.657 . 0 0 "[ . 1 . 2]" 1
251 1 21 GLY H 1 44 GLY H . . 5.460 4.699 4.529 4.807 . 0 0 "[ . 1 . 2]" 1
252 1 21 GLY HA2 1 22 SER H . . 3.270 2.510 2.507 2.512 . 0 0 "[ . 1 . 2]" 1
253 1 21 GLY HA2 1 46 LYS H . . 4.450 3.635 3.472 3.693 . 0 0 "[ . 1 . 2]" 1
254 1 21 GLY HA2 1 46 LYS QB . . 3.930 3.606 3.238 3.931 0.001 8 0 "[ . 1 . 2]" 1
255 1 21 GLY HA2 1 46 LYS QD . . 5.500 4.316 1.958 5.480 . 0 0 "[ . 1 . 2]" 1
256 1 21 GLY HA2 1 46 LYS QG . . 5.500 4.694 2.922 5.500 . 0 0 "[ . 1 . 2]" 1
257 1 21 GLY HA3 1 22 SER H . . 2.820 2.616 2.614 2.618 . 0 0 "[ . 1 . 2]" 1
258 1 21 GLY HA3 1 46 LYS H . . 4.290 4.259 4.077 4.292 0.002 5 0 "[ . 1 . 2]" 1
259 1 21 GLY HA3 1 46 LYS QB . . 5.000 4.777 4.266 5.002 0.002 9 0 "[ . 1 . 2]" 1
260 1 22 SER H 1 22 SER HB2 . . 3.490 2.226 2.220 2.238 . 0 0 "[ . 1 . 2]" 1
261 1 22 SER H 1 22 SER HB3 . . 4.000 3.419 3.386 3.469 . 0 0 "[ . 1 . 2]" 1
262 1 22 SER H 1 43 CYS HA . . 5.500 5.246 5.168 5.292 . 0 0 "[ . 1 . 2]" 1
263 1 22 SER H 1 44 GLY H . . 3.580 3.486 3.393 3.536 . 0 0 "[ . 1 . 2]" 1
264 1 22 SER H 1 45 PRO HA . . 4.380 3.941 3.848 4.006 . 0 0 "[ . 1 . 2]" 1
265 1 22 SER H 1 46 LYS H . . 4.750 3.698 3.539 3.820 . 0 0 "[ . 1 . 2]" 1
266 1 22 SER H 1 46 LYS QB . . 4.340 3.376 2.519 3.962 . 0 0 "[ . 1 . 2]" 1
267 1 22 SER H 1 46 LYS QD . . 5.500 4.610 2.726 5.506 0.006 13 0 "[ . 1 . 2]" 1
268 1 22 SER H 1 46 LYS QG . . 5.400 4.492 2.313 5.210 . 0 0 "[ . 1 . 2]" 1
269 1 22 SER HB2 1 23 CYS H . . 4.520 4.342 4.245 4.391 . 0 0 "[ . 1 . 2]" 1
270 1 22 SER HB2 1 24 LEU MD2 . . 4.350 4.273 4.109 4.352 0.002 9 0 "[ . 1 . 2]" 1
271 1 22 SER HB2 1 24 LEU HG . . 4.710 4.615 4.510 4.715 0.005 5 0 "[ . 1 . 2]" 1
272 1 22 SER HB2 1 46 LYS H . . 5.150 4.541 4.300 4.698 . 0 0 "[ . 1 . 2]" 1
273 1 22 SER HB2 1 46 LYS HA . . 4.470 3.090 2.951 3.321 . 0 0 "[ . 1 . 2]" 1
274 1 22 SER HB2 1 47 ALA H . . 5.000 4.787 4.541 5.002 0.002 13 0 "[ . 1 . 2]" 1
275 1 22 SER HB3 1 23 CYS H . . 3.640 3.258 3.079 3.356 . 0 0 "[ . 1 . 2]" 1
276 1 22 SER HB3 1 24 LEU H . . 5.450 5.454 5.450 5.457 0.007 16 0 "[ . 1 . 2]" 1
277 1 22 SER HB3 1 24 LEU MD2 . . 3.660 3.376 3.282 3.556 . 0 0 "[ . 1 . 2]" 1
278 1 22 SER HB3 1 24 LEU HG . . 4.780 3.965 3.799 4.153 . 0 0 "[ . 1 . 2]" 1
279 1 22 SER HB3 1 44 GLY H . . 5.370 5.225 5.119 5.360 . 0 0 "[ . 1 . 2]" 1
280 1 22 SER HB3 1 46 LYS HA . . 5.330 4.481 4.338 4.769 . 0 0 "[ . 1 . 2]" 1
281 1 23 CYS H 1 23 CYS HB2 . . 3.310 2.272 2.197 2.296 . 0 0 "[ . 1 . 2]" 1
282 1 23 CYS H 1 23 CYS HB3 . . 3.710 3.543 3.502 3.556 . 0 0 "[ . 1 . 2]" 1
283 1 23 CYS H 1 24 LEU H . . 5.070 4.545 4.535 4.553 . 0 0 "[ . 1 . 2]" 1
284 1 23 CYS H 1 24 LEU MD2 . . 5.500 5.076 5.004 5.148 . 0 0 "[ . 1 . 2]" 1
285 1 23 CYS HA 1 24 LEU H . . 2.900 2.154 2.149 2.158 . 0 0 "[ . 1 . 2]" 1
286 1 23 CYS HA 1 24 LEU HB2 . . 4.730 4.422 4.394 4.446 . 0 0 "[ . 1 . 2]" 1
287 1 23 CYS HA 1 42 MET H . . 4.730 4.480 4.398 4.554 . 0 0 "[ . 1 . 2]" 1
288 1 23 CYS HA 1 43 CYS HA . . 4.110 2.432 2.345 2.593 . 0 0 "[ . 1 . 2]" 1
289 1 23 CYS HA 1 44 GLY H . . 4.010 3.327 3.174 3.610 . 0 0 "[ . 1 . 2]" 1
290 1 23 CYS HB2 1 24 LEU H . . 5.140 4.332 4.311 4.381 . 0 0 "[ . 1 . 2]" 1
291 1 23 CYS HB3 1 24 LEU H . . 4.460 3.315 3.289 3.357 . 0 0 "[ . 1 . 2]" 1
292 1 23 CYS HB3 1 41 CYS HA . . 5.500 4.791 4.580 5.006 . 0 0 "[ . 1 . 2]" 1
293 1 23 CYS HB3 1 43 CYS HA . . 5.330 4.559 4.405 4.907 . 0 0 "[ . 1 . 2]" 1
294 1 24 LEU H 1 24 LEU HB2 . . 3.300 2.482 2.454 2.511 . 0 0 "[ . 1 . 2]" 1
295 1 24 LEU H 1 24 LEU HB3 . . 3.840 3.684 3.667 3.702 . 0 0 "[ . 1 . 2]" 1
296 1 24 LEU H 1 24 LEU MD1 . . 4.860 4.102 4.063 4.132 . 0 0 "[ . 1 . 2]" 1
297 1 24 LEU H 1 24 LEU MD2 . . 4.600 3.922 3.846 3.990 . 0 0 "[ . 1 . 2]" 1
298 1 24 LEU H 1 24 LEU HG . . 3.480 3.144 3.087 3.234 . 0 0 "[ . 1 . 2]" 1
299 1 24 LEU H 1 25 CYS H . . 5.350 4.248 4.160 4.320 . 0 0 "[ . 1 . 2]" 1
300 1 24 LEU H 1 41 CYS HA . . 4.870 4.610 4.425 4.730 . 0 0 "[ . 1 . 2]" 1
301 1 24 LEU H 1 41 CYS HB2 . . 5.450 5.364 5.241 5.443 . 0 0 "[ . 1 . 2]" 1
302 1 24 LEU H 1 41 CYS HB3 . . 5.500 3.869 3.768 3.964 . 0 0 "[ . 1 . 2]" 1
303 1 24 LEU H 1 42 MET H . . 3.760 3.350 3.249 3.437 . 0 0 "[ . 1 . 2]" 1
304 1 24 LEU H 1 42 MET HB2 . . 5.500 4.817 4.684 4.902 . 0 0 "[ . 1 . 2]" 1
305 1 24 LEU H 1 42 MET HB3 . . 5.500 5.405 5.187 5.505 0.005 8 0 "[ . 1 . 2]" 1
306 1 24 LEU H 1 43 CYS H . . 5.300 5.161 5.135 5.203 . 0 0 "[ . 1 . 2]" 1
307 1 24 LEU H 1 43 CYS HA . . 4.000 3.851 3.822 3.899 . 0 0 "[ . 1 . 2]" 1
308 1 24 LEU H 1 44 GLY H . . 4.730 4.291 4.122 4.445 . 0 0 "[ . 1 . 2]" 1
309 1 24 LEU H 1 44 GLY HA3 . . 5.160 4.361 4.180 4.586 . 0 0 "[ . 1 . 2]" 1
310 1 24 LEU HA 1 24 LEU MD2 . . 3.460 1.957 1.951 1.964 . 0 0 "[ . 1 . 2]" 1
311 1 24 LEU HA 1 25 CYS H . . 3.070 2.142 2.139 2.150 . 0 0 "[ . 1 . 2]" 1
312 1 24 LEU HA 1 25 CYS HA . . 4.830 4.398 4.383 4.412 . 0 0 "[ . 1 . 2]" 1
313 1 24 LEU HB2 1 24 LEU MD1 . . 3.430 2.397 2.379 2.421 . 0 0 "[ . 1 . 2]" 1
314 1 24 LEU HB2 1 25 CYS H . . 4.520 4.390 4.308 4.445 . 0 0 "[ . 1 . 2]" 1
315 1 24 LEU HB2 1 42 MET H . . 4.830 4.491 4.472 4.513 . 0 0 "[ . 1 . 2]" 1
316 1 24 LEU HB2 1 44 GLY H . . 5.350 5.262 5.150 5.331 . 0 0 "[ . 1 . 2]" 1
317 1 24 LEU HB2 1 44 GLY HA3 . . 5.350 3.907 3.830 3.993 . 0 0 "[ . 1 . 2]" 1
318 1 24 LEU HB3 1 24 LEU MD1 . . 3.450 2.274 2.239 2.294 . 0 0 "[ . 1 . 2]" 1
319 1 24 LEU HB3 1 24 LEU MD2 . . 3.540 2.343 2.338 2.355 . 0 0 "[ . 1 . 2]" 1
320 1 24 LEU HB3 1 25 CYS H . . 3.920 3.550 3.390 3.661 . 0 0 "[ . 1 . 2]" 1
321 1 24 LEU HB3 1 42 MET H . . 5.500 5.504 5.500 5.506 0.006 3 0 "[ . 1 . 2]" 1
322 1 24 LEU MD1 1 44 GLY H . . 4.920 4.803 4.650 4.885 . 0 0 "[ . 1 . 2]" 1
323 1 24 LEU MD1 1 44 GLY HA2 . . 4.360 4.358 4.323 4.364 0.004 9 0 "[ . 1 . 2]" 1
324 1 24 LEU MD1 1 44 GLY HA3 . . 3.430 2.901 2.865 2.937 . 0 0 "[ . 1 . 2]" 1
325 1 24 LEU MD1 1 45 PRO QD . . 3.850 3.299 3.138 3.375 . 0 0 "[ . 1 . 2]" 1
326 1 24 LEU MD2 1 25 CYS H . . 4.040 3.353 3.290 3.399 . 0 0 "[ . 1 . 2]" 1
327 1 24 LEU MD2 1 25 CYS HA . . 5.500 5.514 5.510 5.517 0.017 18 0 "[ . 1 . 2]" 1
328 1 24 LEU MD2 1 44 GLY HA3 . . 5.500 4.949 4.771 5.154 . 0 0 "[ . 1 . 2]" 1
329 1 24 LEU HG 1 43 CYS HA . . 5.500 5.509 5.503 5.512 0.012 18 0 "[ . 1 . 2]" 1
330 1 24 LEU HG 1 44 GLY H . . 4.720 4.493 4.363 4.584 . 0 0 "[ . 1 . 2]" 1
331 1 24 LEU HG 1 44 GLY HA3 . . 4.920 3.560 3.314 3.861 . 0 0 "[ . 1 . 2]" 1
332 1 24 LEU HG 1 45 PRO QD . . 5.500 4.942 4.646 5.203 . 0 0 "[ . 1 . 2]" 1
333 1 25 CYS H 1 25 CYS HB2 . . 3.380 2.598 2.567 2.624 . 0 0 "[ . 1 . 2]" 1
334 1 25 CYS H 1 26 SER H . . 4.660 4.511 4.499 4.523 . 0 0 "[ . 1 . 2]" 1
335 1 25 CYS HA 1 26 SER H . . 3.050 2.155 2.154 2.156 . 0 0 "[ . 1 . 2]" 1
336 1 25 CYS HA 1 26 SER QB . . 5.420 4.039 4.000 4.114 . 0 0 "[ . 1 . 2]" 1
337 1 25 CYS HA 1 41 CYS H . . 5.090 4.848 4.784 4.947 . 0 0 "[ . 1 . 2]" 1
338 1 25 CYS HA 1 41 CYS HA . . 3.110 2.472 2.413 2.551 . 0 0 "[ . 1 . 2]" 1
339 1 25 CYS HA 1 41 CYS HB2 . . 5.030 4.380 4.303 4.518 . 0 0 "[ . 1 . 2]" 1
340 1 25 CYS HA 1 41 CYS HB3 . . 4.220 3.157 3.042 3.487 . 0 0 "[ . 1 . 2]" 1
341 1 25 CYS HA 1 42 MET H . . 3.910 3.914 3.909 3.917 0.007 10 0 "[ . 1 . 2]" 1
342 1 25 CYS HB2 1 26 SER H . . 4.350 4.092 4.072 4.116 . 0 0 "[ . 1 . 2]" 1
343 1 25 CYS HB2 1 41 CYS HA . . 5.500 5.253 5.189 5.308 . 0 0 "[ . 1 . 2]" 1
344 1 25 CYS HB3 1 26 SER H . . 3.760 3.275 3.269 3.280 . 0 0 "[ . 1 . 2]" 1
345 1 25 CYS HB3 1 41 CYS H . . 5.500 5.502 5.499 5.503 0.003 18 0 "[ . 1 . 2]" 1
346 1 25 CYS HB3 1 41 CYS HA . . 5.290 4.253 4.190 4.300 . 0 0 "[ . 1 . 2]" 1
347 1 26 SER H 1 26 SER QB . . 3.280 2.268 2.154 2.431 . 0 0 "[ . 1 . 2]" 1
348 1 26 SER H 1 41 CYS HA . . 4.140 3.602 3.521 3.681 . 0 0 "[ . 1 . 2]" 1
349 1 26 SER HA 1 27 ASN H . . 3.180 2.151 2.138 2.193 . 0 0 "[ . 1 . 2]" 1
350 1 26 SER QB 1 27 ASN H . . 3.860 3.644 3.155 3.860 0.000 13 0 "[ . 1 . 2]" 1
351 1 26 SER QB 1 28 GLY H . . 4.730 3.460 2.737 4.288 . 0 0 "[ . 1 . 2]" 1
352 1 26 SER QB 1 42 MET H . . 5.500 5.502 5.498 5.504 0.004 20 0 "[ . 1 . 2]" 1
353 1 27 ASN H 1 27 ASN QB . . 3.120 2.563 2.311 3.117 . 0 0 "[ . 1 . 2]" 1
354 1 27 ASN H 1 27 ASN QD . . 5.340 4.195 2.708 4.852 . 0 0 "[ . 1 . 2]" 1
355 1 27 ASN H 1 28 GLY H . . 3.740 2.580 2.387 2.807 . 0 0 "[ . 1 . 2]" 1
356 1 27 ASN HA 1 28 GLY H . . 3.550 2.985 2.952 3.511 . 0 0 "[ . 1 . 2]" 1
357 1 28 GLY H 1 29 PRO QD . . 5.420 4.256 4.119 4.305 . 0 0 "[ . 1 . 2]" 1
358 1 28 GLY QA 1 29 PRO QD . . 2.860 2.024 1.966 2.035 . 0 0 "[ . 1 . 2]" 1
359 1 28 GLY QA 1 29 PRO QG . . 4.220 3.696 3.677 3.700 . 0 0 "[ . 1 . 2]" 1
360 1 29 PRO HA 1 30 ILE H . . 3.210 2.181 2.154 2.351 . 0 0 "[ . 1 . 2]" 1
361 1 29 PRO QD 1 30 ILE H . . 5.050 4.985 4.968 5.005 . 0 0 "[ . 1 . 2]" 1
362 1 29 PRO QG 1 30 ILE H . . 4.750 4.589 4.250 4.663 . 0 0 "[ . 1 . 2]" 1
363 1 30 ILE H 1 30 ILE HB . . 3.810 3.366 2.559 3.765 . 0 0 "[ . 1 . 2]" 1
364 1 30 ILE H 1 30 ILE MD . . 4.610 3.658 2.029 4.046 . 0 0 "[ . 1 . 2]" 1
365 1 30 ILE H 1 30 ILE HG12 . . 4.040 3.195 2.567 4.043 0.003 5 0 "[ . 1 . 2]" 1
366 1 30 ILE H 1 30 ILE HG13 . . 4.040 2.327 1.959 3.986 . 0 0 "[ . 1 . 2]" 1
367 1 30 ILE H 1 30 ILE MG . . 4.240 3.340 2.969 3.884 . 0 0 "[ . 1 . 2]" 1
368 1 30 ILE H 1 31 ALA H . . 4.240 4.171 3.970 4.247 0.007 14 0 "[ . 1 . 2]" 1
369 1 30 ILE HA 1 31 ALA H . . 3.300 2.156 2.139 2.212 . 0 0 "[ . 1 . 2]" 1
370 1 30 ILE HB 1 31 ALA H . . 4.570 3.830 3.448 4.402 . 0 0 "[ . 1 . 2]" 1
371 1 30 ILE HB 1 31 ALA MB . . 5.500 5.199 5.026 5.506 0.006 5 0 "[ . 1 . 2]" 1
372 1 30 ILE MD 1 31 ALA H . . 5.500 4.840 4.003 5.483 . 0 0 "[ . 1 . 2]" 1
373 1 30 ILE MD 1 33 PRO QG . . 4.950 3.135 1.889 4.852 . 0 0 "[ . 1 . 2]" 1
374 1 30 ILE QG 1 31 ALA H . . 5.030 4.396 4.266 4.839 . 0 0 "[ . 1 . 2]" 1
375 1 30 ILE MG 1 31 ALA H . . 4.190 3.635 2.762 4.064 . 0 0 "[ . 1 . 2]" 1
376 1 30 ILE MG 1 32 ARG H . . 4.740 4.091 2.439 4.735 . 0 0 "[ . 1 . 2]" 1
377 1 30 ILE MG 1 33 PRO HA . . 5.470 3.629 1.949 4.140 . 0 0 "[ . 1 . 2]" 1
378 1 31 ALA H 1 31 ALA MB . . 3.390 2.313 2.149 2.463 . 0 0 "[ . 1 . 2]" 1
379 1 31 ALA H 1 32 ARG H . . 3.900 2.082 1.930 2.420 . 0 0 "[ . 1 . 2]" 1
380 1 31 ALA HA 1 32 ARG H . . 3.550 3.493 3.465 3.516 . 0 0 "[ . 1 . 2]" 1
381 1 31 ALA MB 1 32 ARG H . . 3.560 2.803 2.658 2.951 . 0 0 "[ . 1 . 2]" 1
382 1 31 ALA MB 1 32 ARG QG . . 4.050 2.710 2.258 3.152 . 0 0 "[ . 1 . 2]" 1
383 1 32 ARG H 1 32 ARG QG . . 3.970 3.088 2.321 3.605 . 0 0 "[ . 1 . 2]" 1
384 1 32 ARG H 1 33 PRO HB3 . . 5.460 5.059 4.710 5.225 . 0 0 "[ . 1 . 2]" 1
385 1 32 ARG H 1 33 PRO QD . . 4.790 2.944 2.574 3.083 . 0 0 "[ . 1 . 2]" 1
386 1 32 ARG H 1 33 PRO QG . . 5.060 4.868 4.524 5.006 . 0 0 "[ . 1 . 2]" 1
387 1 32 ARG HA 1 32 ARG QG . . 3.950 2.635 2.129 3.339 . 0 0 "[ . 1 . 2]" 1
388 1 32 ARG HA 1 33 PRO HD2 . . 3.420 2.073 2.060 2.130 . 0 0 "[ . 1 . 2]" 1
389 1 32 ARG HA 1 33 PRO QD . . 2.960 2.031 2.017 2.087 . 0 0 "[ . 1 . 2]" 1
390 1 32 ARG HA 1 33 PRO HD3 . . 3.420 2.905 2.885 2.985 . 0 0 "[ . 1 . 2]" 1
391 1 32 ARG HA 1 33 PRO QG . . 4.600 3.913 3.903 3.956 . 0 0 "[ . 1 . 2]" 1
392 1 32 ARG QB 1 33 PRO QD . . 3.940 3.738 3.673 3.784 . 0 0 "[ . 1 . 2]" 1
393 1 32 ARG QB 1 34 TRP H . . 4.440 3.630 3.461 3.709 . 0 0 "[ . 1 . 2]" 1
394 1 32 ARG QB 1 34 TRP HB3 . . 5.340 5.337 5.315 5.344 0.004 8 0 "[ . 1 . 2]" 1
395 1 32 ARG QB 1 34 TRP HD1 . . 5.340 5.312 5.135 5.341 0.001 8 0 "[ . 1 . 2]" 1
396 1 32 ARG QB 1 35 GLU H . . 4.260 3.120 2.891 3.336 . 0 0 "[ . 1 . 2]" 1
397 1 32 ARG QB 1 35 GLU QB . . 4.570 3.126 2.496 3.991 . 0 0 "[ . 1 . 2]" 1
398 1 32 ARG QB 1 35 GLU QG . . 4.020 2.997 1.944 4.020 . 5 0 "[ . 1 . 2]" 1
399 1 32 ARG HB2 1 33 PRO HD2 . . 5.210 4.793 4.334 4.864 . 0 0 "[ . 1 . 2]" 1
400 1 32 ARG HB2 1 33 PRO HD3 . . 5.210 4.971 4.944 5.064 . 0 0 "[ . 1 . 2]" 1
401 1 32 ARG HB2 1 34 TRP H . . 5.160 4.702 3.800 4.981 . 0 0 "[ . 1 . 2]" 1
402 1 32 ARG HB2 1 35 GLU H . . 5.080 4.098 3.130 4.643 . 0 0 "[ . 1 . 2]" 1
403 1 32 ARG HB3 1 33 PRO HD2 . . 5.210 4.322 4.221 4.518 . 0 0 "[ . 1 . 2]" 1
404 1 32 ARG HB3 1 33 PRO HD3 . . 5.210 5.028 4.984 5.035 . 0 0 "[ . 1 . 2]" 1
405 1 32 ARG HB3 1 34 TRP H . . 5.160 3.868 3.624 4.958 . 0 0 "[ . 1 . 2]" 1
406 1 32 ARG HB3 1 35 GLU H . . 5.080 3.385 3.003 5.062 . 0 0 "[ . 1 . 2]" 1
407 1 32 ARG QD 1 33 PRO QD . . 5.350 4.626 3.458 5.355 0.005 7 0 "[ . 1 . 2]" 1
408 1 32 ARG QD 1 35 GLU H . . 5.500 4.928 3.677 5.507 0.007 8 0 "[ . 1 . 2]" 1
409 1 33 PRO HA 1 34 TRP H . . 3.450 3.433 3.388 3.447 . 0 0 "[ . 1 . 2]" 1
410 1 33 PRO HA 1 34 TRP HD1 . . 5.330 5.168 4.856 5.331 0.001 8 0 "[ . 1 . 2]" 1
411 1 33 PRO HA 1 36 MET H . . 3.590 3.257 3.010 3.578 . 0 0 "[ . 1 . 2]" 1
412 1 33 PRO HA 1 37 MET H . . 5.500 4.406 3.922 4.986 . 0 0 "[ . 1 . 2]" 1
413 1 33 PRO HA 1 37 MET HA . . 3.880 2.880 2.235 3.353 . 0 0 "[ . 1 . 2]" 1
414 1 33 PRO HA 1 37 MET QG . . 5.310 4.219 3.270 5.139 . 0 0 "[ . 1 . 2]" 1
415 1 33 PRO HB2 1 34 TRP H . . 4.280 3.676 3.636 3.793 . 0 0 "[ . 1 . 2]" 1
416 1 33 PRO QD 1 34 TRP HD1 . . 4.270 2.929 2.771 3.035 . 0 0 "[ . 1 . 2]" 1
417 1 33 PRO HD2 1 34 TRP HD1 . . 5.090 2.969 2.805 3.079 . 0 0 "[ . 1 . 2]" 1
418 1 33 PRO HD3 1 34 TRP HD1 . . 5.090 4.480 4.306 4.597 . 0 0 "[ . 1 . 2]" 1
419 1 33 PRO QG 1 34 TRP H . . 4.180 2.807 2.748 2.984 . 0 0 "[ . 1 . 2]" 1
420 1 33 PRO QG 1 34 TRP HD1 . . 4.890 2.208 1.994 2.391 . 0 0 "[ . 1 . 2]" 1
421 1 34 TRP H 1 34 TRP HB2 . . 3.750 2.270 2.234 2.317 . 0 0 "[ . 1 . 2]" 1
422 1 34 TRP H 1 34 TRP HB3 . . 3.650 3.544 3.526 3.561 . 0 0 "[ . 1 . 2]" 1
423 1 34 TRP H 1 35 GLU H . . 3.330 2.522 2.278 2.560 . 0 0 "[ . 1 . 2]" 1
424 1 34 TRP H 1 35 GLU QG . . 5.170 4.337 3.754 5.168 . 0 0 "[ . 1 . 2]" 1
425 1 34 TRP HA 1 34 TRP HE3 . . 5.040 4.011 3.585 4.350 . 0 0 "[ . 1 . 2]" 1
426 1 34 TRP HB2 1 34 TRP HD1 . . 3.410 2.901 2.746 3.062 . 0 0 "[ . 1 . 2]" 1
427 1 34 TRP HB2 1 35 GLU H . . 3.980 2.997 2.916 3.074 . 0 0 "[ . 1 . 2]" 1
428 1 34 TRP HB3 1 34 TRP HE3 . . 3.610 2.417 2.399 2.483 . 0 0 "[ . 1 . 2]" 1
429 1 35 GLU H 1 35 GLU HB2 . . 3.810 2.852 2.323 3.777 . 0 0 "[ . 1 . 2]" 1
430 1 35 GLU H 1 35 GLU QB . . 3.240 2.544 2.296 2.978 . 0 0 "[ . 1 . 2]" 1
431 1 35 GLU H 1 35 GLU HB3 . . 3.810 3.421 2.546 3.771 . 0 0 "[ . 1 . 2]" 1
432 1 35 GLU H 1 35 GLU HG2 . . 4.290 3.097 1.954 4.244 . 0 0 "[ . 1 . 2]" 1
433 1 35 GLU H 1 35 GLU QG . . 3.680 2.619 1.932 3.513 . 0 0 "[ . 1 . 2]" 1
434 1 35 GLU H 1 35 GLU HG3 . . 4.290 3.272 2.549 3.923 . 0 0 "[ . 1 . 2]" 1
435 1 35 GLU H 1 36 MET H . . 3.640 2.109 1.936 2.368 . 0 0 "[ . 1 . 2]" 1
436 1 35 GLU QB 1 36 MET H . . 3.760 2.958 2.606 3.554 . 0 0 "[ . 1 . 2]" 1
437 1 35 GLU QB 1 36 MET HA . . 5.280 4.396 4.018 5.031 . 0 0 "[ . 1 . 2]" 1
438 1 35 GLU QB 1 36 MET QG . . 4.480 3.169 2.576 3.938 . 0 0 "[ . 1 . 2]" 1
439 1 35 GLU HB2 1 36 MET H . . 4.320 3.134 2.661 4.029 . 0 0 "[ . 1 . 2]" 1
440 1 35 GLU HB3 1 36 MET H . . 4.320 3.807 3.393 4.000 . 0 0 "[ . 1 . 2]" 1
441 1 36 MET H 1 36 MET HB2 . . 4.040 3.100 2.336 4.039 . 0 0 "[ . 1 . 2]" 1
442 1 36 MET H 1 36 MET HB3 . . 4.040 3.622 3.314 3.816 . 0 0 "[ . 1 . 2]" 1
443 1 36 MET H 1 36 MET HG2 . . 4.470 3.466 2.197 4.459 . 0 0 "[ . 1 . 2]" 1
444 1 36 MET H 1 36 MET QG . . 3.900 2.906 2.132 3.643 . 0 0 "[ . 1 . 2]" 1
445 1 36 MET H 1 36 MET HG3 . . 4.470 3.449 2.562 4.376 . 0 0 "[ . 1 . 2]" 1
446 1 36 MET H 1 37 MET H . . 3.910 3.786 3.341 3.912 0.002 17 0 "[ . 1 . 2]" 1
447 1 36 MET H 1 37 MET HA . . 4.750 4.557 4.365 4.748 . 0 0 "[ . 1 . 2]" 1
448 1 36 MET HA 1 37 MET H . . 3.210 2.242 2.141 2.616 . 0 0 "[ . 1 . 2]" 1
449 1 36 MET ME 1 36 MET QG . . 3.500 2.109 1.992 2.346 . 0 0 "[ . 1 . 2]" 1
450 1 36 MET QG 1 37 MET H . . 5.040 4.415 3.917 4.750 . 0 0 "[ . 1 . 2]" 1
451 1 37 MET H 1 37 MET HB2 . . 3.510 2.575 2.197 3.000 . 0 0 "[ . 1 . 2]" 1
452 1 37 MET H 1 37 MET HB3 . . 3.510 2.795 2.429 3.510 . 14 0 "[ . 1 . 2]" 1
453 1 37 MET H 1 37 MET QG . . 4.480 3.820 2.767 4.113 . 0 0 "[ . 1 . 2]" 1
454 1 37 MET H 1 38 VAL H . . 4.300 4.217 4.055 4.301 0.001 8 0 "[ . 1 . 2]" 1
455 1 37 MET H 1 38 VAL HA . . 5.500 5.115 4.916 5.449 . 0 0 "[ . 1 . 2]" 1
456 1 37 MET H 1 38 VAL QG . . 4.760 4.278 3.969 4.760 0.000 6 0 "[ . 1 . 2]" 1
457 1 37 MET HA 1 37 MET ME . . 4.190 3.806 2.715 4.185 . 0 0 "[ . 1 . 2]" 1
458 1 37 MET HA 1 38 VAL H . . 3.300 2.187 2.143 2.284 . 0 0 "[ . 1 . 2]" 1
459 1 37 MET HA 1 38 VAL MG1 . . 5.500 4.557 3.658 5.502 0.002 8 0 "[ . 1 . 2]" 1
460 1 37 MET HA 1 38 VAL MG2 . . 5.500 3.979 3.609 5.502 0.002 15 0 "[ . 1 . 2]" 1
461 1 37 MET ME 1 37 MET QG . . 3.560 2.240 2.055 2.568 . 0 0 "[ . 1 . 2]" 1
462 1 37 MET QG 1 39 GLY H . . 5.320 4.097 2.011 5.292 . 0 0 "[ . 1 . 2]" 1
463 1 37 MET HG2 1 38 VAL H . . 5.500 4.172 3.177 5.208 . 0 0 "[ . 1 . 2]" 1
464 1 37 MET HG3 1 38 VAL H . . 5.500 4.135 3.174 5.171 . 0 0 "[ . 1 . 2]" 1
465 1 38 VAL H 1 38 VAL HB . . 3.700 3.263 2.524 3.700 . 0 0 "[ . 1 . 2]" 1
466 1 38 VAL H 1 38 VAL MG1 . . 3.890 3.055 2.025 3.859 . 0 0 "[ . 1 . 2]" 1
467 1 38 VAL H 1 38 VAL QG . . 3.360 2.126 1.863 2.728 . 0 0 "[ . 1 . 2]" 1
468 1 38 VAL H 1 38 VAL MG2 . . 3.890 2.349 1.929 3.891 0.001 15 0 "[ . 1 . 2]" 1
469 1 38 VAL H 1 39 GLY H . . 4.700 3.743 2.727 4.552 . 0 0 "[ . 1 . 2]" 1
470 1 38 VAL H 1 39 GLY HA2 . . 5.500 5.149 4.571 5.500 0.000 9 0 "[ . 1 . 2]" 1
471 1 38 VAL H 1 39 GLY HA3 . . 5.500 4.958 4.539 5.421 . 0 0 "[ . 1 . 2]" 1
472 1 38 VAL HA 1 39 GLY H . . 3.240 2.493 2.145 2.997 . 0 0 "[ . 1 . 2]" 1
473 1 38 VAL HB 1 39 GLY H . . 4.560 4.087 2.596 4.476 . 0 0 "[ . 1 . 2]" 1
474 1 38 VAL QG 1 39 GLY H . . 4.270 3.194 2.015 3.705 . 0 0 "[ . 1 . 2]" 1
475 1 38 VAL MG1 1 39 GLY H . . 4.890 3.793 2.021 4.361 . 0 0 "[ . 1 . 2]" 1
476 1 38 VAL MG2 1 39 GLY H . . 4.890 3.745 2.100 4.341 . 0 0 "[ . 1 . 2]" 1
477 1 39 GLY H 1 40 ASN HA . . 5.500 4.587 4.190 5.360 . 0 0 "[ . 1 . 2]" 1
478 1 39 GLY QA 1 40 ASN H . . 2.800 2.690 2.343 2.803 0.003 16 0 "[ . 1 . 2]" 1
479 1 39 GLY QA 1 40 ASN QB . . 4.670 4.503 4.072 4.642 . 0 0 "[ . 1 . 2]" 1
480 1 39 GLY HA2 1 40 ASN H . . 3.560 2.849 2.377 3.497 . 0 0 "[ . 1 . 2]" 1
481 1 39 GLY HA3 1 40 ASN H . . 3.560 3.478 2.948 3.563 0.003 14 0 "[ . 1 . 2]" 1
482 1 40 ASN H 1 40 ASN HB2 . . 3.740 2.834 2.322 3.729 . 0 0 "[ . 1 . 2]" 1
483 1 40 ASN H 1 40 ASN QB . . 3.180 2.601 2.294 3.158 . 0 0 "[ . 1 . 2]" 1
484 1 40 ASN H 1 40 ASN HB3 . . 3.740 3.451 2.745 3.740 . 0 0 "[ . 1 . 2]" 1
485 1 40 ASN H 1 41 CYS H . . 4.620 4.519 4.439 4.630 0.010 16 0 "[ . 1 . 2]" 1
486 1 40 ASN H 1 42 MET ME . . 5.360 4.461 4.080 5.048 . 0 0 "[ . 1 . 2]" 1
487 1 40 ASN HA 1 41 CYS H . . 3.000 2.392 2.260 2.441 . 0 0 "[ . 1 . 2]" 1
488 1 40 ASN HA 1 41 CYS HB2 . . 5.140 4.738 4.656 4.784 . 0 0 "[ . 1 . 2]" 1
489 1 40 ASN QB 1 41 CYS H . . 3.610 2.511 2.318 3.018 . 0 0 "[ . 1 . 2]" 1
490 1 40 ASN QB 1 41 CYS HA . . 5.340 4.139 4.037 4.258 . 0 0 "[ . 1 . 2]" 1
491 1 40 ASN QB 1 41 CYS HB2 . . 5.340 4.992 4.832 5.337 . 0 0 "[ . 1 . 2]" 1
492 1 40 ASN QB 1 42 MET ME . . 3.930 2.867 2.462 3.706 . 0 0 "[ . 1 . 2]" 1
493 1 40 ASN HB2 1 42 MET ME . . 4.540 3.147 2.701 3.968 . 0 0 "[ . 1 . 2]" 1
494 1 40 ASN HB3 1 42 MET ME . . 4.540 3.543 2.720 4.538 . 0 0 "[ . 1 . 2]" 1
495 1 40 ASN QD 1 41 CYS H . . 5.340 4.424 2.742 5.123 . 0 0 "[ . 1 . 2]" 1
496 1 40 ASN QD 1 42 MET ME . . 5.290 3.868 1.916 4.936 . 0 0 "[ . 1 . 2]" 1
497 1 41 CYS H 1 41 CYS HB2 . . 3.680 2.740 2.649 2.784 . 0 0 "[ . 1 . 2]" 1
498 1 41 CYS H 1 42 MET HA . . 5.030 4.902 4.829 4.951 . 0 0 "[ . 1 . 2]" 1
499 1 41 CYS H 1 42 MET ME . . 4.950 4.393 3.923 4.950 0.000 18 0 "[ . 1 . 2]" 1
500 1 41 CYS HA 1 42 MET H . . 2.910 2.173 2.147 2.211 . 0 0 "[ . 1 . 2]" 1
501 1 41 CYS HB2 1 42 MET H . . 4.240 4.023 3.893 4.198 . 0 0 "[ . 1 . 2]" 1
502 1 41 CYS HB3 1 42 MET H . . 3.530 3.181 3.008 3.338 . 0 0 "[ . 1 . 2]" 1
503 1 42 MET H 1 42 MET HB2 . . 3.910 2.511 2.425 2.568 . 0 0 "[ . 1 . 2]" 1
504 1 42 MET H 1 42 MET HG2 . . 4.780 4.540 4.429 4.623 . 0 0 "[ . 1 . 2]" 1
505 1 42 MET H 1 42 MET QG . . 4.180 3.497 3.277 4.009 . 0 0 "[ . 1 . 2]" 1
506 1 42 MET H 1 42 MET HG3 . . 4.780 3.664 3.363 4.440 . 0 0 "[ . 1 . 2]" 1
507 1 42 MET H 1 43 CYS H . . 4.960 4.474 4.443 4.500 . 0 0 "[ . 1 . 2]" 1
508 1 42 MET HA 1 43 CYS H . . 2.990 2.460 2.410 2.534 . 0 0 "[ . 1 . 2]" 1
509 1 42 MET HA 1 43 CYS HB2 . . 5.070 4.802 4.766 4.885 . 0 0 "[ . 1 . 2]" 1
510 1 42 MET HB2 1 43 CYS H . . 4.390 3.689 3.538 3.893 . 0 0 "[ . 1 . 2]" 1
511 1 42 MET HB3 1 43 CYS H . . 3.580 2.326 2.152 2.509 . 0 0 "[ . 1 . 2]" 1
512 1 42 MET HB3 1 43 CYS HB2 . . 4.850 4.173 4.080 4.291 . 0 0 "[ . 1 . 2]" 1
513 1 42 MET HG2 1 43 CYS H . . 4.860 3.902 3.428 4.360 . 0 0 "[ . 1 . 2]" 1
514 1 42 MET HG3 1 43 CYS H . . 4.860 4.070 3.259 4.354 . 0 0 "[ . 1 . 2]" 1
515 1 43 CYS H 1 43 CYS HB2 . . 3.290 2.370 2.336 2.431 . 0 0 "[ . 1 . 2]" 1
516 1 43 CYS H 1 43 CYS HB3 . . 3.640 3.579 3.573 3.590 . 0 0 "[ . 1 . 2]" 1
517 1 43 CYS H 1 44 GLY HA2 . . 5.500 5.529 5.524 5.534 0.034 16 0 "[ . 1 . 2]" 1
518 1 43 CYS HA 1 44 GLY H . . 3.000 2.250 2.228 2.271 . 0 0 "[ . 1 . 2]" 1
519 1 43 CYS HB2 1 44 GLY H . . 4.260 4.021 3.949 4.085 . 0 0 "[ . 1 . 2]" 1
520 1 43 CYS HB3 1 44 GLY H . . 3.780 2.865 2.800 2.945 . 0 0 "[ . 1 . 2]" 1
521 1 44 GLY H 1 45 PRO QD . . 4.510 4.336 4.324 4.342 . 0 0 "[ . 1 . 2]" 1
522 1 44 GLY HA2 1 45 PRO QD . . 3.040 2.183 2.179 2.197 . 0 0 "[ . 1 . 2]" 1
523 1 44 GLY HA2 1 45 PRO QG . . 4.470 4.101 4.097 4.115 . 0 0 "[ . 1 . 2]" 1
524 1 44 GLY HA3 1 45 PRO QD . . 3.000 2.412 2.393 2.417 . 0 0 "[ . 1 . 2]" 1
525 1 44 GLY HA3 1 45 PRO QG . . 4.530 4.207 4.192 4.211 . 0 0 "[ . 1 . 2]" 1
526 1 45 PRO HA 1 46 LYS H . . 2.930 2.178 2.165 2.193 . 0 0 "[ . 1 . 2]" 1
527 1 45 PRO QB 1 46 LYS H . . 3.690 3.158 3.093 3.219 . 0 0 "[ . 1 . 2]" 1
528 1 45 PRO HB2 1 46 LYS H . . 4.350 3.346 3.267 3.420 . 0 0 "[ . 1 . 2]" 1
529 1 45 PRO HB3 1 46 LYS H . . 4.350 3.877 3.825 3.925 . 0 0 "[ . 1 . 2]" 1
530 1 45 PRO QD 1 46 LYS H . . 5.500 4.998 4.989 5.004 . 0 0 "[ . 1 . 2]" 1
531 1 45 PRO QG 1 46 LYS H . . 4.890 4.583 4.547 4.615 . 0 0 "[ . 1 . 2]" 1
532 1 46 LYS H 1 46 LYS HB2 . . 3.650 3.015 2.177 3.653 0.003 10 0 "[ . 1 . 2]" 1
533 1 46 LYS H 1 46 LYS QB . . 3.050 2.369 2.155 2.765 . 0 0 "[ . 1 . 2]" 1
534 1 46 LYS H 1 46 LYS HB3 . . 3.650 2.700 2.424 3.464 . 0 0 "[ . 1 . 2]" 1
535 1 46 LYS H 1 46 LYS QD . . 4.760 3.879 2.066 4.720 . 0 0 "[ . 1 . 2]" 1
536 1 46 LYS H 1 46 LYS QE . . 5.500 4.600 2.687 5.499 . 0 0 "[ . 1 . 2]" 1
537 1 46 LYS H 1 46 LYS QG . . 4.230 2.996 2.057 4.117 . 0 0 "[ . 1 . 2]" 1
538 1 46 LYS HA 1 47 ALA H . . 3.120 2.236 2.140 2.408 . 0 0 "[ . 1 . 2]" 1
539 1 46 LYS QB 1 47 ALA H . . 4.180 3.170 2.442 3.961 . 0 0 "[ . 1 . 2]" 1
540 1 46 LYS QB 1 47 ALA MB . . 5.340 4.633 4.269 5.070 . 0 0 "[ . 1 . 2]" 1
541 1 46 LYS HB2 1 47 ALA H . . 4.960 3.558 2.470 4.605 . 0 0 "[ . 1 . 2]" 1
542 1 46 LYS HB3 1 47 ALA H . . 4.960 3.954 2.978 4.319 . 0 0 "[ . 1 . 2]" 1
543 1 47 ALA H 1 47 ALA MB . . 3.580 2.326 2.091 2.734 . 0 0 "[ . 1 . 2]" 1
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