NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
585882 |
2mub   |
25205 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mub
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 562
_Distance_constraint_stats_list.Viol_count 360
_Distance_constraint_stats_list.Viol_total 85.716
_Distance_constraint_stats_list.Viol_max 0.092
_Distance_constraint_stats_list.Viol_rms 0.0033
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0119
_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 2 THR 0.047 0.006 3 0 "[ . 1 . 2]"
1 3 ALA 0.023 0.007 2 0 "[ . 1 . 2]"
1 4 CYS 0.000 0.000 7 0 "[ . 1 . 2]"
1 5 SER 0.059 0.008 9 0 "[ . 1 . 2]"
1 6 CYS 0.120 0.013 15 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 SER 0.114 0.014 19 0 "[ . 1 . 2]"
1 10 LYS 0.175 0.027 5 0 "[ . 1 . 2]"
1 11 GLY 0.139 0.011 14 0 "[ . 1 . 2]"
1 12 ILE 0.200 0.015 5 0 "[ . 1 . 2]"
1 13 TYR 0.874 0.041 2 0 "[ . 1 . 2]"
1 14 TRP 0.301 0.033 8 0 "[ . 1 . 2]"
1 15 PHE 0.187 0.019 1 0 "[ . 1 . 2]"
1 16 TYR 0.684 0.041 2 0 "[ . 1 . 2]"
1 17 ARG 0.467 0.022 16 0 "[ . 1 . 2]"
1 18 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 SER 0.203 0.023 14 0 "[ . 1 . 2]"
1 20 CYS 0.203 0.023 14 0 "[ . 1 . 2]"
1 21 PRO 0.027 0.006 15 0 "[ . 1 . 2]"
1 22 THR 0.000 0.000 9 0 "[ . 1 . 2]"
1 23 ASP 0.000 0.000 9 0 "[ . 1 . 2]"
1 24 ARG 0.094 0.033 8 0 "[ . 1 . 2]"
1 25 GLY 0.004 0.004 8 0 "[ . 1 . 2]"
1 26 TYR 0.106 0.017 5 0 "[ . 1 . 2]"
1 27 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLY 0.029 0.010 17 0 "[ . 1 . 2]"
1 29 SER 0.089 0.020 14 0 "[ . 1 . 2]"
1 30 CYS 0.101 0.020 14 0 "[ . 1 . 2]"
1 31 ARG 0.821 0.092 4 0 "[ . 1 . 2]"
1 32 TYR 0.373 0.029 9 0 "[ . 1 . 2]"
1 33 PHE 0.050 0.016 15 0 "[ . 1 . 2]"
1 34 LEU 0.056 0.010 15 0 "[ . 1 . 2]"
1 35 GLY 0.032 0.016 15 0 "[ . 1 . 2]"
1 36 THR 0.013 0.005 16 0 "[ . 1 . 2]"
1 37 CYS 0.122 0.013 7 0 "[ . 1 . 2]"
1 38 CYS 0.123 0.011 17 0 "[ . 1 . 2]"
1 39 THR 0.772 0.060 9 0 "[ . 1 . 2]"
1 40 PRO 0.030 0.007 12 0 "[ . 1 . 2]"
1 41 ALA 0.273 0.017 5 0 "[ . 1 . 2]"
1 42 ASP 0.015 0.008 8 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 38 CYS H 1 38 CYS HB2 . . 2.920 2.439 2.320 2.499 . 0 0 "[ . 1 . 2]" 1
2 1 30 CYS H 1 30 CYS HB2 . . 3.610 2.740 2.706 2.791 . 0 0 "[ . 1 . 2]" 1
3 1 30 CYS H 1 30 CYS HB3 . . 4.200 3.794 3.766 3.828 . 0 0 "[ . 1 . 2]" 1
4 1 12 ILE H 1 12 ILE MD . . 4.560 3.552 3.455 3.690 . 0 0 "[ . 1 . 2]" 1
5 1 12 ILE H 1 12 ILE HB . . 2.910 2.542 2.511 2.580 . 0 0 "[ . 1 . 2]" 1
6 1 12 ILE H 1 12 ILE HG13 . . 4.170 3.973 3.856 4.094 . 0 0 "[ . 1 . 2]" 1
7 1 12 ILE H 1 12 ILE HG12 . . 4.170 2.607 2.468 2.748 . 0 0 "[ . 1 . 2]" 1
8 1 31 ARG H 1 31 ARG HB2 . . 3.760 2.711 2.136 3.571 . 0 0 "[ . 1 . 2]" 1
9 1 31 ARG H 1 31 ARG HG3 . . 3.940 2.996 2.561 3.742 . 0 0 "[ . 1 . 2]" 1
10 1 10 LYS H 1 10 LYS HB3 . . 3.760 3.680 3.587 3.717 . 0 0 "[ . 1 . 2]" 1
11 1 10 LYS H 1 10 LYS HB2 . . 2.700 2.516 2.328 2.692 . 0 0 "[ . 1 . 2]" 1
12 1 10 LYS H 1 10 LYS QD . . 4.000 3.771 2.065 4.005 0.005 14 0 "[ . 1 . 2]" 1
13 1 16 TYR H 1 16 TYR HB2 . . 3.510 3.481 3.453 3.522 0.012 4 0 "[ . 1 . 2]" 1
14 1 23 ASP H 1 23 ASP HB2 . . 3.860 2.436 2.201 3.566 . 0 0 "[ . 1 . 2]" 1
15 1 23 ASP H 1 23 ASP HB3 . . 3.860 3.482 2.724 3.601 . 0 0 "[ . 1 . 2]" 1
16 1 3 ALA H 1 3 ALA MB . . 2.400 2.299 2.290 2.312 . 0 0 "[ . 1 . 2]" 1
17 1 39 THR H 1 39 THR MG . . 3.290 3.325 3.309 3.350 0.060 9 0 "[ . 1 . 2]" 1
18 1 42 ASP H 1 42 ASP QB . . 3.020 2.372 2.220 3.025 0.005 8 0 "[ . 1 . 2]" 1
19 1 32 TYR H 1 32 TYR HB3 . . 3.310 2.878 2.838 2.928 . 0 0 "[ . 1 . 2]" 1
20 1 32 TYR H 1 32 TYR HB2 . . 3.290 2.628 2.523 2.742 . 0 0 "[ . 1 . 2]" 1
21 1 24 ARG H 1 24 ARG HB3 . . 4.050 3.644 3.641 3.651 . 0 0 "[ . 1 . 2]" 1
22 1 21 PRO HG2 1 24 ARG H . . 4.820 3.167 2.863 3.286 . 0 0 "[ . 1 . 2]" 1
23 1 24 ARG H 1 24 ARG HG3 . . 3.890 3.509 3.450 3.598 . 0 0 "[ . 1 . 2]" 1
24 1 29 SER H 1 29 SER HB2 . . 4.090 3.915 3.860 3.971 . 0 0 "[ . 1 . 2]" 1
25 1 29 SER H 1 29 SER HB3 . . 3.640 3.128 2.952 3.353 . 0 0 "[ . 1 . 2]" 1
26 1 6 CYS H 1 6 CYS HB3 . . 3.640 3.545 3.499 3.602 . 0 0 "[ . 1 . 2]" 1
27 1 6 CYS H 1 6 CYS HB2 . . 3.000 2.320 2.241 2.417 . 0 0 "[ . 1 . 2]" 1
28 1 34 LEU H 1 34 LEU HB3 . . 3.700 3.568 3.511 3.646 . 0 0 "[ . 1 . 2]" 1
29 1 34 LEU H 1 34 LEU HG . . 3.520 3.365 3.150 3.463 . 0 0 "[ . 1 . 2]" 1
30 1 24 ARG HB3 1 24 ARG HE . . 3.570 3.271 2.909 3.492 . 0 0 "[ . 1 . 2]" 1
31 1 26 TYR H 1 26 TYR HB3 . . 3.720 3.653 3.630 3.683 . 0 0 "[ . 1 . 2]" 1
32 1 26 TYR H 1 26 TYR HB2 . . 2.790 2.504 2.452 2.549 . 0 0 "[ . 1 . 2]" 1
33 1 15 PHE H 1 15 PHE HB2 . . 2.500 2.260 2.191 2.335 . 0 0 "[ . 1 . 2]" 1
34 1 3 ALA HA 1 4 CYS H . . 2.560 2.146 2.140 2.155 . 0 0 "[ . 1 . 2]" 1
35 1 41 ALA H 1 41 ALA MB . . 2.430 2.080 2.052 2.225 . 0 0 "[ . 1 . 2]" 1
36 1 17 ARG H 1 17 ARG HD2 . . 5.500 5.073 4.134 5.521 0.021 9 0 "[ . 1 . 2]" 1
37 1 17 ARG H 1 17 ARG HD3 . . 5.500 5.426 5.231 5.522 0.022 16 0 "[ . 1 . 2]" 1
38 1 17 ARG H 1 17 ARG HB2 . . 2.850 2.757 2.739 2.771 . 0 0 "[ . 1 . 2]" 1
39 1 5 SER H 1 5 SER HB3 . . 3.840 3.779 3.654 3.848 0.008 9 0 "[ . 1 . 2]" 1
40 1 5 SER H 1 5 SER HB2 . . 3.840 3.371 3.225 3.558 . 0 0 "[ . 1 . 2]" 1
41 1 19 SER H 1 19 SER QB . . 3.200 2.759 2.451 3.126 . 0 0 "[ . 1 . 2]" 1
42 1 21 PRO HD2 1 26 TYR QD . . 2.580 2.322 1.999 2.523 . 0 0 "[ . 1 . 2]" 1
43 1 26 TYR HA 1 26 TYR QD . . 3.020 2.247 2.130 2.487 . 0 0 "[ . 1 . 2]" 1
44 1 12 ILE H 1 12 ILE MG . . 3.890 3.809 3.790 3.825 . 0 0 "[ . 1 . 2]" 1
45 1 37 CYS H 1 37 CYS HB2 . . 3.290 2.959 2.921 3.015 . 0 0 "[ . 1 . 2]" 1
46 1 37 CYS H 1 37 CYS HB3 . . 3.000 2.618 2.556 2.669 . 0 0 "[ . 1 . 2]" 1
47 1 20 CYS H 1 20 CYS HB2 . . 2.860 2.512 2.429 2.573 . 0 0 "[ . 1 . 2]" 1
48 1 38 CYS H 1 38 CYS HB3 . . 3.820 3.647 3.583 3.676 . 0 0 "[ . 1 . 2]" 1
49 1 34 LEU H 1 34 LEU HB2 . . 3.100 2.331 2.267 2.436 . 0 0 "[ . 1 . 2]" 1
50 1 23 ASP H 1 24 ARG HG2 . . 4.800 4.156 3.801 4.302 . 0 0 "[ . 1 . 2]" 1
51 1 21 PRO HB3 1 23 ASP H . . 4.160 4.129 4.105 4.151 . 0 0 "[ . 1 . 2]" 1
52 1 23 ASP H 1 24 ARG H . . 3.060 2.557 2.455 2.607 . 0 0 "[ . 1 . 2]" 1
53 1 37 CYS HA 1 38 CYS H . . 2.670 2.141 2.138 2.152 . 0 0 "[ . 1 . 2]" 1
54 1 37 CYS HB3 1 38 CYS H . . 5.500 4.298 4.245 4.348 . 0 0 "[ . 1 . 2]" 1
55 1 37 CYS HB2 1 38 CYS H . . 4.840 4.374 4.318 4.452 . 0 0 "[ . 1 . 2]" 1
56 1 38 CYS HA 1 39 THR H . . 2.640 2.150 2.139 2.178 . 0 0 "[ . 1 . 2]" 1
57 1 38 CYS HB3 1 39 THR H . . 3.760 3.320 3.125 3.453 . 0 0 "[ . 1 . 2]" 1
58 1 38 CYS HB2 1 39 THR H . . 5.320 4.259 4.140 4.378 . 0 0 "[ . 1 . 2]" 1
59 1 4 CYS H 1 4 CYS HB3 . . 3.830 3.259 3.179 3.301 . 0 0 "[ . 1 . 2]" 1
60 1 26 TYR HA 1 28 GLY H . . 4.540 4.251 4.048 4.444 . 0 0 "[ . 1 . 2]" 1
61 1 26 TYR HB3 1 28 GLY H . . 4.070 3.882 3.500 4.001 . 0 0 "[ . 1 . 2]" 1
62 1 26 TYR HB2 1 28 GLY H . . 5.250 5.210 4.802 5.255 0.005 15 0 "[ . 1 . 2]" 1
63 1 25 GLY H 1 26 TYR H . . 3.360 3.308 3.170 3.364 0.004 8 0 "[ . 1 . 2]" 1
64 1 27 THR MG 1 28 GLY H . . 4.080 3.859 3.633 4.018 . 0 0 "[ . 1 . 2]" 1
65 1 36 THR MG 1 37 CYS H . . 2.730 1.930 1.889 2.019 . 0 0 "[ . 1 . 2]" 1
66 1 36 THR HB 1 37 CYS H . . 4.050 3.434 3.326 3.561 . 0 0 "[ . 1 . 2]" 1
67 1 36 THR H 1 36 THR HB . . 3.090 3.031 2.980 3.079 . 0 0 "[ . 1 . 2]" 1
68 1 36 THR H 1 36 THR MG . . 4.180 4.002 3.990 4.017 . 0 0 "[ . 1 . 2]" 1
69 1 12 ILE H 1 41 ALA HA . . 3.430 3.020 2.777 3.296 . 0 0 "[ . 1 . 2]" 1
70 1 29 SER HB2 1 30 CYS H . . 3.310 3.094 2.949 3.228 . 0 0 "[ . 1 . 2]" 1
71 1 30 CYS HB2 1 31 ARG H . . 4.190 4.133 4.075 4.204 0.014 12 0 "[ . 1 . 2]" 1
72 1 30 CYS HB3 1 31 ARG H . . 3.470 3.378 3.291 3.458 . 0 0 "[ . 1 . 2]" 1
73 1 30 CYS HA 1 31 ARG H . . 2.670 2.145 2.141 2.155 . 0 0 "[ . 1 . 2]" 1
74 1 31 ARG H 1 31 ARG HB3 . . 3.760 3.108 2.335 3.576 . 0 0 "[ . 1 . 2]" 1
75 1 31 ARG H 1 31 ARG QD . . 4.730 4.226 1.995 4.489 . 0 0 "[ . 1 . 2]" 1
76 1 31 ARG HA 1 32 TYR H . . 2.480 2.206 2.154 2.259 . 0 0 "[ . 1 . 2]" 1
77 1 14 TRP H 1 14 TRP HB3 . . 3.880 3.684 3.655 3.710 . 0 0 "[ . 1 . 2]" 1
78 1 14 TRP H 1 14 TRP HB2 . . 2.930 2.517 2.462 2.557 . 0 0 "[ . 1 . 2]" 1
79 1 22 THR HA 1 24 ARG H . . 4.680 3.803 3.755 3.872 . 0 0 "[ . 1 . 2]" 1
80 1 24 ARG HB3 1 25 GLY H . . 3.620 2.131 1.986 2.238 . 0 0 "[ . 1 . 2]" 1
81 1 24 ARG HA 1 25 GLY H . . 3.540 2.571 2.516 2.653 . 0 0 "[ . 1 . 2]" 1
82 1 24 ARG H 1 26 TYR H . . 5.080 4.993 4.828 5.087 0.007 20 0 "[ . 1 . 2]" 1
83 1 27 THR H 1 27 THR MG . . 3.500 2.839 2.593 3.128 . 0 0 "[ . 1 . 2]" 1
84 1 26 TYR HB2 1 27 THR H . . 4.950 3.925 3.528 4.093 . 0 0 "[ . 1 . 2]" 1
85 1 26 TYR HB3 1 27 THR H . . 3.960 2.889 2.404 3.122 . 0 0 "[ . 1 . 2]" 1
86 1 27 THR HB 1 28 GLY H . . 3.970 3.484 3.190 3.736 . 0 0 "[ . 1 . 2]" 1
87 1 28 GLY HA3 1 29 SER H . . 2.990 2.884 2.788 3.000 0.010 17 0 "[ . 1 . 2]" 1
88 1 28 GLY HA2 1 29 SER H . . 2.990 2.291 2.216 2.359 . 0 0 "[ . 1 . 2]" 1
89 1 28 GLY H 1 29 SER H . . 5.340 4.500 4.468 4.523 . 0 0 "[ . 1 . 2]" 1
90 1 22 THR MG 1 23 ASP H . . 4.190 4.035 3.787 4.190 0.000 9 0 "[ . 1 . 2]" 1
91 1 24 ARG HB2 1 24 ARG HE . . 5.090 4.181 3.806 4.518 . 0 0 "[ . 1 . 2]" 1
92 1 24 ARG H 1 24 ARG HG2 . . 3.140 2.432 2.262 2.507 . 0 0 "[ . 1 . 2]" 1
93 1 2 THR HA 1 3 ALA H . . 2.490 2.423 2.401 2.443 . 0 0 "[ . 1 . 2]" 1
94 1 2 THR HB 1 3 ALA H . . 3.700 3.171 3.100 3.244 . 0 0 "[ . 1 . 2]" 1
95 1 2 THR MG 1 3 ALA H . . 3.010 1.948 1.895 2.013 . 0 0 "[ . 1 . 2]" 1
96 1 3 ALA MB 1 4 CYS H . . 3.310 3.147 3.066 3.226 . 0 0 "[ . 1 . 2]" 1
97 1 3 ALA H 1 4 CYS H . . 4.740 4.462 4.415 4.499 . 0 0 "[ . 1 . 2]" 1
98 1 4 CYS HA 1 5 SER H . . 3.050 2.475 2.456 2.479 . 0 0 "[ . 1 . 2]" 1
99 1 4 CYS HB3 1 5 SER H . . 4.240 3.566 3.549 3.608 . 0 0 "[ . 1 . 2]" 1
100 1 4 CYS HB2 1 5 SER H . . 2.880 2.265 2.258 2.306 . 0 0 "[ . 1 . 2]" 1
101 1 5 SER HA 1 6 CYS H . . 2.550 2.221 2.194 2.254 . 0 0 "[ . 1 . 2]" 1
102 1 5 SER HB3 1 6 CYS H . . 3.520 3.371 3.243 3.527 0.007 15 0 "[ . 1 . 2]" 1
103 1 5 SER HB2 1 6 CYS H . . 3.520 3.318 3.027 3.509 . 0 0 "[ . 1 . 2]" 1
104 1 15 PHE H 1 15 PHE HB3 . . 3.680 3.537 3.498 3.568 . 0 0 "[ . 1 . 2]" 1
105 1 14 TRP HB2 1 14 TRP HD1 . . 2.830 2.720 2.709 2.749 . 0 0 "[ . 1 . 2]" 1
106 1 14 TRP HB3 1 14 TRP HE3 . . 2.780 2.507 2.480 2.518 . 0 0 "[ . 1 . 2]" 1
107 1 14 TRP HB2 1 14 TRP HE3 . . 4.070 4.065 4.038 4.075 0.005 17 0 "[ . 1 . 2]" 1
108 1 14 TRP HB3 1 17 ARG H . . 5.090 4.497 4.456 4.547 . 0 0 "[ . 1 . 2]" 1
109 1 14 TRP HB2 1 17 ARG H . . 5.500 4.103 4.027 4.220 . 0 0 "[ . 1 . 2]" 1
110 1 14 TRP H 1 15 PHE H . . 4.620 4.395 4.358 4.451 . 0 0 "[ . 1 . 2]" 1
111 1 14 TRP HA 1 15 PHE H . . 2.500 2.142 2.140 2.147 . 0 0 "[ . 1 . 2]" 1
112 1 14 TRP HA 1 14 TRP HE3 . . 3.520 3.360 3.327 3.457 . 0 0 "[ . 1 . 2]" 1
113 1 14 TRP HB3 1 15 PHE H . . 4.570 3.423 3.339 3.499 . 0 0 "[ . 1 . 2]" 1
114 1 16 TYR HB2 1 17 ARG H . . 4.980 4.462 4.446 4.472 . 0 0 "[ . 1 . 2]" 1
115 1 16 TYR HB3 1 17 ARG H . . 5.500 4.304 4.294 4.315 . 0 0 "[ . 1 . 2]" 1
116 1 16 TYR HA 1 17 ARG H . . 3.150 2.479 2.468 2.498 . 0 0 "[ . 1 . 2]" 1
117 1 16 TYR HA 1 16 TYR QD . . 3.190 3.020 2.517 3.143 . 0 0 "[ . 1 . 2]" 1
118 1 16 TYR HA 1 16 TYR QE . . 5.030 4.667 4.534 4.709 . 0 0 "[ . 1 . 2]" 1
119 1 17 ARG HA 1 18 PRO HD2 . . 2.720 2.024 2.002 2.037 . 0 0 "[ . 1 . 2]" 1
120 1 17 ARG HA 1 18 PRO HD3 . . 2.900 2.828 2.790 2.849 . 0 0 "[ . 1 . 2]" 1
121 1 17 ARG HA 1 19 SER H . . 4.000 3.133 3.120 3.147 . 0 0 "[ . 1 . 2]" 1
122 1 18 PRO HD2 1 19 SER H . . 3.100 2.824 2.801 2.840 . 0 0 "[ . 1 . 2]" 1
123 1 18 PRO HD3 1 19 SER H . . 3.950 3.936 3.923 3.944 . 0 0 "[ . 1 . 2]" 1
124 1 18 PRO HB2 1 19 SER H . . 3.920 3.778 3.751 3.796 . 0 0 "[ . 1 . 2]" 1
125 1 18 PRO HG2 1 19 SER H . . 3.310 3.011 2.967 3.043 . 0 0 "[ . 1 . 2]" 1
126 1 17 ARG HB3 1 19 SER H . . 3.640 3.587 3.523 3.637 . 0 0 "[ . 1 . 2]" 1
127 1 20 CYS H 1 20 CYS HB3 . . 3.600 3.589 3.585 3.595 . 0 0 "[ . 1 . 2]" 1
128 1 19 SER HA 1 20 CYS H . . 2.790 2.165 2.137 2.176 . 0 0 "[ . 1 . 2]" 1
129 1 19 SER QB 1 20 CYS H . . 3.580 3.580 3.485 3.603 0.023 14 0 "[ . 1 . 2]" 1
130 1 20 CYS HA 1 21 PRO HD3 . . 2.630 2.303 2.299 2.313 . 0 0 "[ . 1 . 2]" 1
131 1 13 TYR HB2 1 14 TRP H . . 4.690 4.257 4.170 4.304 . 0 0 "[ . 1 . 2]" 1
132 1 13 TYR HB3 1 14 TRP H . . 5.000 4.435 4.381 4.465 . 0 0 "[ . 1 . 2]" 1
133 1 13 TYR H 1 13 TYR HB2 . . 2.980 2.914 2.878 2.961 . 0 0 "[ . 1 . 2]" 1
134 1 13 TYR H 1 13 TYR HB3 . . 2.680 2.327 2.316 2.345 . 0 0 "[ . 1 . 2]" 1
135 1 13 TYR H 1 14 TRP H . . 5.060 4.382 4.327 4.441 . 0 0 "[ . 1 . 2]" 1
136 1 12 ILE HA 1 13 TYR H . . 3.270 2.148 2.140 2.168 . 0 0 "[ . 1 . 2]" 1
137 1 12 ILE MD 1 13 TYR H . . 3.660 3.507 3.392 3.622 . 0 0 "[ . 1 . 2]" 1
138 1 12 ILE MG 1 13 TYR H . . 2.830 2.548 2.417 2.677 . 0 0 "[ . 1 . 2]" 1
139 1 3 ALA MB 1 13 TYR H . . 5.500 5.078 5.010 5.137 . 0 0 "[ . 1 . 2]" 1
140 1 12 ILE HB 1 13 TYR H . . 4.370 4.200 4.111 4.256 . 0 0 "[ . 1 . 2]" 1
141 1 11 GLY HA2 1 12 ILE H . . 3.030 2.563 2.459 2.637 . 0 0 "[ . 1 . 2]" 1
142 1 11 GLY HA3 1 12 ILE H . . 2.890 2.564 2.492 2.670 . 0 0 "[ . 1 . 2]" 1
143 1 10 LYS HA 1 11 GLY H . . 2.420 2.268 2.219 2.303 . 0 0 "[ . 1 . 2]" 1
144 1 10 LYS HB3 1 11 GLY H . . 3.250 2.812 2.709 2.967 . 0 0 "[ . 1 . 2]" 1
145 1 10 LYS HB2 1 11 GLY H . . 4.220 3.896 3.741 4.083 . 0 0 "[ . 1 . 2]" 1
146 1 10 LYS QD 1 11 GLY H . . 5.500 4.746 2.932 5.447 . 0 0 "[ . 1 . 2]" 1
147 1 4 CYS HB2 1 11 GLY H . . 5.500 4.810 4.724 4.963 . 0 0 "[ . 1 . 2]" 1
148 1 11 GLY H 1 12 ILE H . . 4.720 4.403 4.377 4.434 . 0 0 "[ . 1 . 2]" 1
149 1 13 TYR QD 1 15 PHE QE . . 4.400 4.085 3.851 4.400 . 0 0 "[ . 1 . 2]" 1
150 1 12 ILE HB 1 12 ILE MD . . 3.640 3.221 3.216 3.231 . 0 0 "[ . 1 . 2]" 1
151 1 12 ILE HA 1 12 ILE MD . . 3.990 2.004 1.957 2.125 . 0 0 "[ . 1 . 2]" 1
152 1 10 LYS QD 1 10 LYS QE . . 2.400 2.062 2.007 2.091 . 0 0 "[ . 1 . 2]" 1
153 1 10 LYS HA 1 10 LYS QD . . 4.290 3.714 2.023 4.259 . 0 0 "[ . 1 . 2]" 1
154 1 10 LYS HB2 1 10 LYS QE . . 4.340 3.508 2.390 4.333 . 0 0 "[ . 1 . 2]" 1
155 1 14 TRP HB2 1 17 ARG HB3 . . 4.550 2.870 2.809 2.909 . 0 0 "[ . 1 . 2]" 1
156 1 10 LYS HB3 1 10 LYS QD . . 3.250 2.664 2.312 3.203 . 0 0 "[ . 1 . 2]" 1
157 1 10 LYS HB2 1 10 LYS QD . . 3.290 2.443 2.064 3.317 0.027 5 0 "[ . 1 . 2]" 1
158 1 10 LYS QD 1 10 LYS HG2 . . 2.550 2.313 2.152 2.480 . 0 0 "[ . 1 . 2]" 1
159 1 10 LYS QD 1 10 LYS HG3 . . 2.550 2.343 2.154 2.530 . 0 0 "[ . 1 . 2]" 1
160 1 9 SER H 1 9 SER HB3 . . 3.090 3.022 2.928 3.082 . 0 0 "[ . 1 . 2]" 1
161 1 9 SER H 1 9 SER HB2 . . 3.560 3.202 3.132 3.322 . 0 0 "[ . 1 . 2]" 1
162 1 9 SER HB3 1 10 LYS H . . 4.250 3.361 3.205 3.716 . 0 0 "[ . 1 . 2]" 1
163 1 9 SER HB2 1 10 LYS H . . 3.970 3.879 3.758 3.967 . 0 0 "[ . 1 . 2]" 1
164 1 9 SER HA 1 10 LYS H . . 2.460 2.423 2.308 2.474 0.014 19 0 "[ . 1 . 2]" 1
165 1 9 SER H 1 10 LYS H . . 5.180 4.395 4.369 4.401 . 0 0 "[ . 1 . 2]" 1
166 1 40 PRO HB3 1 41 ALA H . . 3.600 3.367 3.350 3.385 . 0 0 "[ . 1 . 2]" 1
167 1 40 PRO HB2 1 41 ALA H . . 3.020 2.438 2.401 2.475 . 0 0 "[ . 1 . 2]" 1
168 1 40 PRO HG2 1 41 ALA H . . 5.500 4.285 4.255 4.315 . 0 0 "[ . 1 . 2]" 1
169 1 10 LYS HB3 1 41 ALA H . . 5.450 5.138 4.728 5.367 . 0 0 "[ . 1 . 2]" 1
170 1 40 PRO HG3 1 41 ALA H . . 5.500 4.958 4.929 4.986 . 0 0 "[ . 1 . 2]" 1
171 1 40 PRO HA 1 41 ALA H . . 2.680 2.472 2.458 2.489 . 0 0 "[ . 1 . 2]" 1
172 1 41 ALA MB 1 42 ASP H . . 3.600 3.413 3.374 3.476 . 0 0 "[ . 1 . 2]" 1
173 1 41 ALA HA 1 42 ASP H . . 2.470 2.159 2.150 2.180 . 0 0 "[ . 1 . 2]" 1
174 1 8 ASN H 1 9 SER H . . 4.030 2.262 2.160 2.353 . 0 0 "[ . 1 . 2]" 1
175 1 8 ASN HB2 1 9 SER H . . 4.740 4.121 3.980 4.551 . 0 0 "[ . 1 . 2]" 1
176 1 8 ASN HB3 1 9 SER H . . 4.740 4.421 4.004 4.638 . 0 0 "[ . 1 . 2]" 1
177 1 6 CYS H 1 9 SER H . . 3.680 3.122 2.917 3.417 . 0 0 "[ . 1 . 2]" 1
178 1 4 CYS H 1 11 GLY H . . 3.300 2.960 2.841 3.096 . 0 0 "[ . 1 . 2]" 1
179 1 12 ILE H 1 38 CYS H . . 3.990 3.309 3.162 3.532 . 0 0 "[ . 1 . 2]" 1
180 1 14 TRP H 1 36 THR H . . 3.930 3.147 3.056 3.357 . 0 0 "[ . 1 . 2]" 1
181 1 30 CYS H 1 37 CYS H . . 3.510 3.126 2.942 3.325 . 0 0 "[ . 1 . 2]" 1
182 1 27 THR H 1 28 GLY H . . 2.480 2.179 1.914 2.343 . 0 0 "[ . 1 . 2]" 1
183 1 31 ARG HA 1 31 ARG HG3 . . 4.080 3.345 2.354 3.571 . 0 0 "[ . 1 . 2]" 1
184 1 2 THR H 1 2 THR HB . . 2.940 2.865 2.820 2.901 . 0 0 "[ . 1 . 2]" 1
185 1 4 CYS H 1 5 SER H . . 4.830 4.467 4.457 4.476 . 0 0 "[ . 1 . 2]" 1
186 1 5 SER H 1 6 CYS H . . 5.190 4.379 4.328 4.415 . 0 0 "[ . 1 . 2]" 1
187 1 9 SER HA 1 9 SER HB2 . . 2.980 2.557 2.482 2.602 . 0 0 "[ . 1 . 2]" 1
188 1 10 LYS HA 1 10 LYS QE . . 5.500 4.402 3.915 4.937 . 0 0 "[ . 1 . 2]" 1
189 1 14 TRP HB2 1 35 GLY QA . . 5.500 4.645 4.593 4.822 . 0 0 "[ . 1 . 2]" 1
190 1 13 TYR H 1 13 TYR QD . . 4.230 4.182 4.173 4.191 . 0 0 "[ . 1 . 2]" 1
191 1 14 TRP H 1 14 TRP HD1 . . 3.400 2.592 2.519 2.691 . 0 0 "[ . 1 . 2]" 1
192 1 15 PHE H 1 16 TYR H . . 4.730 4.437 4.412 4.458 . 0 0 "[ . 1 . 2]" 1
193 1 16 TYR H 1 17 ARG H . . 3.340 3.070 3.024 3.104 . 0 0 "[ . 1 . 2]" 1
194 1 17 ARG HA 1 17 ARG HD3 . . 4.670 4.396 4.190 4.570 . 0 0 "[ . 1 . 2]" 1
195 1 17 ARG HA 1 17 ARG HD2 . . 4.670 4.420 3.788 4.629 . 0 0 "[ . 1 . 2]" 1
196 1 17 ARG HB2 1 17 ARG QG . . 2.780 2.379 2.264 2.523 . 0 0 "[ . 1 . 2]" 1
197 1 17 ARG HB2 1 17 ARG HD3 . . 4.090 2.763 2.522 2.969 . 0 0 "[ . 1 . 2]" 1
198 1 17 ARG HB2 1 17 ARG HD2 . . 4.090 2.616 2.227 2.984 . 0 0 "[ . 1 . 2]" 1
199 1 17 ARG HB3 1 17 ARG HD3 . . 3.530 2.519 2.183 3.214 . 0 0 "[ . 1 . 2]" 1
200 1 17 ARG HB3 1 17 ARG HD2 . . 3.530 3.330 3.149 3.521 . 0 0 "[ . 1 . 2]" 1
201 1 17 ARG HA 1 17 ARG QG . . 3.610 2.197 2.047 2.257 . 0 0 "[ . 1 . 2]" 1
202 1 17 ARG HB2 1 18 PRO HD2 . . 5.500 4.842 4.825 4.848 . 0 0 "[ . 1 . 2]" 1
203 1 19 SER HA 1 19 SER QB . . 2.560 2.300 2.159 2.541 . 0 0 "[ . 1 . 2]" 1
204 1 22 THR HA 1 22 THR MG . . 2.640 2.258 2.106 2.433 . 0 0 "[ . 1 . 2]" 1
205 1 2 THR HA 1 3 ALA MB . . 4.710 4.023 4.002 4.030 . 0 0 "[ . 1 . 2]" 1
206 1 24 ARG HA 1 24 ARG HG2 . . 3.610 2.838 2.758 3.036 . 0 0 "[ . 1 . 2]" 1
207 1 24 ARG HA 1 24 ARG HD3 . . 4.420 3.301 3.112 3.444 . 0 0 "[ . 1 . 2]" 1
208 1 21 PRO HG2 1 24 ARG HG3 . . 2.530 2.140 1.997 2.357 . 0 0 "[ . 1 . 2]" 1
209 1 24 ARG HB2 1 24 ARG HG3 . . 2.780 2.283 2.258 2.337 . 0 0 "[ . 1 . 2]" 1
210 1 21 PRO HG2 1 24 ARG HG2 . . 5.500 2.913 2.520 3.076 . 0 0 "[ . 1 . 2]" 1
211 1 27 THR HA 1 27 THR MG . . 2.750 2.272 2.104 2.437 . 0 0 "[ . 1 . 2]" 1
212 1 29 SER HA 1 29 SER HB2 . . 2.840 2.379 2.315 2.458 . 0 0 "[ . 1 . 2]" 1
213 1 26 TYR H 1 27 THR H . . 4.890 4.556 4.528 4.590 . 0 0 "[ . 1 . 2]" 1
214 1 29 SER H 1 30 CYS H . . 4.330 4.316 4.236 4.350 0.020 14 0 "[ . 1 . 2]" 1
215 1 31 ARG HA 1 31 ARG QD . . 3.820 3.477 2.524 3.865 0.045 15 0 "[ . 1 . 2]" 1
216 1 31 ARG H 1 32 TYR H . . 5.010 4.605 4.548 4.636 . 0 0 "[ . 1 . 2]" 1
217 1 37 CYS H 1 38 CYS H . . 4.680 4.266 4.146 4.351 . 0 0 "[ . 1 . 2]" 1
218 1 36 THR H 1 37 CYS H . . 5.070 4.407 4.388 4.422 . 0 0 "[ . 1 . 2]" 1
219 1 38 CYS H 1 39 THR H . . 4.770 4.448 4.416 4.509 . 0 0 "[ . 1 . 2]" 1
220 1 39 THR HA 1 39 THR MG . . 3.580 2.169 2.136 2.214 . 0 0 "[ . 1 . 2]" 1
221 1 40 PRO HD3 1 41 ALA H . . 5.500 5.497 5.488 5.507 0.007 12 0 "[ . 1 . 2]" 1
222 1 41 ALA H 1 42 ASP H . . 4.380 4.353 4.277 4.383 0.003 15 0 "[ . 1 . 2]" 1
223 1 42 ASP HA 1 42 ASP QB . . 2.730 2.334 2.173 2.464 . 0 0 "[ . 1 . 2]" 1
224 1 34 LEU H 1 34 LEU MD1 . . 4.950 3.591 3.338 3.750 . 0 0 "[ . 1 . 2]" 1
225 1 34 LEU H 1 34 LEU MD2 . . 4.520 4.339 4.267 4.376 . 0 0 "[ . 1 . 2]" 1
226 1 34 LEU HB2 1 34 LEU MD1 . . 2.850 2.091 1.961 2.219 . 0 0 "[ . 1 . 2]" 1
227 1 34 LEU HB3 1 34 LEU MD1 . . 2.890 2.657 2.529 2.740 . 0 0 "[ . 1 . 2]" 1
228 1 34 LEU HB2 1 34 LEU MD2 . . 3.250 3.126 3.086 3.149 . 0 0 "[ . 1 . 2]" 1
229 1 34 LEU HB3 1 34 LEU MD2 . . 3.060 2.145 2.007 2.245 . 0 0 "[ . 1 . 2]" 1
230 1 34 LEU HA 1 34 LEU MD2 . . 3.040 2.484 2.328 2.608 . 0 0 "[ . 1 . 2]" 1
231 1 34 LEU H 1 35 GLY H . . 3.070 2.293 2.123 2.825 . 0 0 "[ . 1 . 2]" 1
232 1 15 PHE HB3 1 16 TYR H . . 4.090 3.610 3.580 3.648 . 0 0 "[ . 1 . 2]" 1
233 1 15 PHE HA 1 16 TYR H . . 2.910 2.141 2.139 2.144 . 0 0 "[ . 1 . 2]" 1
234 1 31 ARG QD 1 32 TYR H . . 4.680 3.786 2.733 4.669 . 0 0 "[ . 1 . 2]" 1
235 1 34 LEU HA 1 35 GLY H . . 3.560 3.447 2.819 3.558 . 0 0 "[ . 1 . 2]" 1
236 1 34 LEU HB3 1 35 GLY H . . 5.000 3.411 3.151 4.371 . 0 0 "[ . 1 . 2]" 1
237 1 34 LEU HB2 1 35 GLY H . . 4.560 2.880 2.549 4.232 . 0 0 "[ . 1 . 2]" 1
238 1 34 LEU HG 1 35 GLY H . . 5.500 4.758 4.583 4.975 . 0 0 "[ . 1 . 2]" 1
239 1 35 GLY QA 1 36 THR H . . 2.500 2.121 2.114 2.134 . 0 0 "[ . 1 . 2]" 1
240 1 33 PHE HB3 1 34 LEU H . . 2.800 2.338 2.247 2.480 . 0 0 "[ . 1 . 2]" 1
241 1 33 PHE HB2 1 34 LEU H . . 3.570 3.476 3.342 3.555 . 0 0 "[ . 1 . 2]" 1
242 1 33 PHE HA 1 33 PHE QD . . 3.190 2.744 2.440 2.997 . 0 0 "[ . 1 . 2]" 1
243 1 32 TYR QD 1 33 PHE HB3 . . 4.030 3.365 3.304 3.531 . 0 0 "[ . 1 . 2]" 1
244 1 32 TYR QD 1 33 PHE HB2 . . 3.930 3.814 3.767 3.880 . 0 0 "[ . 1 . 2]" 1
245 1 32 TYR QE 1 33 PHE HB3 . . 4.080 3.859 3.777 3.982 . 0 0 "[ . 1 . 2]" 1
246 1 32 TYR QE 1 33 PHE HB2 . . 4.250 4.060 4.017 4.155 . 0 0 "[ . 1 . 2]" 1
247 1 13 TYR QD 1 32 TYR HB3 . . 3.700 3.628 3.522 3.698 . 0 0 "[ . 1 . 2]" 1
248 1 13 TYR QD 1 32 TYR HB2 . . 4.200 3.245 3.170 3.309 . 0 0 "[ . 1 . 2]" 1
249 1 20 CYS HB3 1 26 TYR QE . . 4.090 3.790 3.546 4.089 . 0 0 "[ . 1 . 2]" 1
250 1 4 CYS HA 1 32 TYR QD . . 5.500 5.432 5.311 5.500 0.000 7 0 "[ . 1 . 2]" 1
251 1 32 TYR HA 1 32 TYR QD . . 3.340 2.629 2.589 2.750 . 0 0 "[ . 1 . 2]" 1
252 1 32 TYR HA 1 32 TYR QE . . 4.650 4.397 4.382 4.439 . 0 0 "[ . 1 . 2]" 1
253 1 4 CYS HA 1 32 TYR QE . . 4.380 3.634 3.469 3.748 . 0 0 "[ . 1 . 2]" 1
254 1 33 PHE H 1 33 PHE HA . . 2.810 2.781 2.776 2.812 0.002 5 0 "[ . 1 . 2]" 1
255 1 33 PHE H 1 33 PHE HB3 . . 3.530 2.892 2.843 2.950 . 0 0 "[ . 1 . 2]" 1
256 1 33 PHE H 1 33 PHE HB2 . . 3.430 2.221 2.181 2.254 . 0 0 "[ . 1 . 2]" 1
257 1 12 ILE MG 1 14 TRP H . . 4.600 4.098 3.917 4.272 . 0 0 "[ . 1 . 2]" 1
258 1 14 TRP H 1 36 THR MG . . 5.100 4.998 4.936 5.057 . 0 0 "[ . 1 . 2]" 1
259 1 12 ILE HB 1 14 TRP HE1 . . 3.780 2.188 2.095 2.332 . 0 0 "[ . 1 . 2]" 1
260 1 12 ILE HG13 1 14 TRP HE1 . . 5.200 4.055 3.922 4.255 . 0 0 "[ . 1 . 2]" 1
261 1 12 ILE HG12 1 14 TRP HE1 . . 5.200 4.421 4.293 4.582 . 0 0 "[ . 1 . 2]" 1
262 1 27 THR H 1 40 PRO HD3 . . 3.540 2.850 2.630 3.431 . 0 0 "[ . 1 . 2]" 1
263 1 27 THR H 1 40 PRO HD2 . . 3.660 2.633 2.420 3.096 . 0 0 "[ . 1 . 2]" 1
264 1 32 TYR HB2 1 37 CYS H . . 3.820 3.267 3.217 3.320 . 0 0 "[ . 1 . 2]" 1
265 1 32 TYR HB3 1 37 CYS H . . 4.870 4.867 4.827 4.883 0.013 7 0 "[ . 1 . 2]" 1
266 1 29 SER HB2 1 37 CYS H . . 4.660 4.190 3.911 4.495 . 0 0 "[ . 1 . 2]" 1
267 1 31 ARG HA 1 37 CYS H . . 4.070 3.520 3.335 3.774 . 0 0 "[ . 1 . 2]" 1
268 1 14 TRP H 1 37 CYS HA . . 4.160 3.120 2.979 3.169 . 0 0 "[ . 1 . 2]" 1
269 1 14 TRP H 1 36 THR HB . . 4.620 4.248 4.086 4.358 . 0 0 "[ . 1 . 2]" 1
270 1 14 TRP HE1 1 26 TYR QE . . 3.690 3.353 2.785 3.666 . 0 0 "[ . 1 . 2]" 1
271 1 14 TRP HE1 1 21 PRO HD2 . . 4.840 4.262 4.112 4.388 . 0 0 "[ . 1 . 2]" 1
272 1 14 TRP HE1 1 38 CYS HB2 . . 4.270 1.958 1.945 2.060 . 0 0 "[ . 1 . 2]" 1
273 1 14 TRP HE1 1 38 CYS HB3 . . 4.620 3.460 3.211 3.541 . 0 0 "[ . 1 . 2]" 1
274 1 12 ILE MD 1 14 TRP HE1 . . 5.500 4.904 4.823 5.036 . 0 0 "[ . 1 . 2]" 1
275 1 14 TRP HE1 1 21 PRO HG3 . . 5.500 4.778 4.335 5.011 . 0 0 "[ . 1 . 2]" 1
276 1 12 ILE MG 1 14 TRP HE1 . . 3.120 2.724 2.602 2.891 . 0 0 "[ . 1 . 2]" 1
277 1 14 TRP H 1 35 GLY QA . . 5.310 4.529 4.424 4.749 . 0 0 "[ . 1 . 2]" 1
278 1 13 TYR QD 1 37 CYS H . . 4.810 4.677 4.554 4.756 . 0 0 "[ . 1 . 2]" 1
279 1 32 TYR QD 1 37 CYS H . . 4.640 4.245 4.153 4.351 . 0 0 "[ . 1 . 2]" 1
280 1 13 TYR QD 1 14 TRP H . . 3.070 2.518 2.329 2.672 . 0 0 "[ . 1 . 2]" 1
281 1 12 ILE H 1 39 THR MG . . 3.680 3.481 3.353 3.574 . 0 0 "[ . 1 . 2]" 1
282 1 12 ILE H 1 41 ALA MB . . 3.840 3.630 3.454 3.826 . 0 0 "[ . 1 . 2]" 1
283 1 12 ILE H 1 38 CYS HB2 . . 4.310 3.827 3.761 3.922 . 0 0 "[ . 1 . 2]" 1
284 1 30 CYS H 1 37 CYS HB2 . . 5.300 4.454 4.366 4.574 . 0 0 "[ . 1 . 2]" 1
285 1 30 CYS H 1 36 THR MG . . 3.390 3.273 2.981 3.395 0.005 16 0 "[ . 1 . 2]" 1
286 1 30 CYS H 1 37 CYS HB3 . . 3.520 2.825 2.706 2.934 . 0 0 "[ . 1 . 2]" 1
287 1 36 THR MG 1 38 CYS H . . 4.760 4.512 4.360 4.627 . 0 0 "[ . 1 . 2]" 1
288 1 2 THR MG 1 13 TYR H . . 5.190 5.191 5.183 5.196 0.006 3 0 "[ . 1 . 2]" 1
289 1 4 CYS HB3 1 13 TYR H . . 4.940 4.377 4.121 4.614 . 0 0 "[ . 1 . 2]" 1
290 1 11 GLY HA3 1 38 CYS H . . 5.020 4.580 4.475 4.691 . 0 0 "[ . 1 . 2]" 1
291 1 2 THR HB 1 13 TYR H . . 4.410 4.247 4.204 4.282 . 0 0 "[ . 1 . 2]" 1
292 1 3 ALA HA 1 13 TYR H . . 4.130 3.672 3.586 3.755 . 0 0 "[ . 1 . 2]" 1
293 1 10 LYS H 1 39 THR MG . . 4.860 4.128 3.972 4.255 . 0 0 "[ . 1 . 2]" 1
294 1 21 PRO HB2 1 23 ASP H . . 4.160 2.691 2.521 2.770 . 0 0 "[ . 1 . 2]" 1
295 1 4 CYS H 1 13 TYR H . . 4.450 3.771 3.545 3.901 . 0 0 "[ . 1 . 2]" 1
296 1 11 GLY H 1 41 ALA H . . 5.410 5.113 4.988 5.216 . 0 0 "[ . 1 . 2]" 1
297 1 5 SER HA 1 11 GLY H . . 3.630 3.325 3.154 3.463 . 0 0 "[ . 1 . 2]" 1
298 1 11 GLY H 1 41 ALA MB . . 3.830 3.209 3.028 3.399 . 0 0 "[ . 1 . 2]" 1
299 1 11 GLY H 1 39 THR MG . . 3.830 3.500 3.427 3.606 . 0 0 "[ . 1 . 2]" 1
300 1 14 TRP HB2 1 36 THR H . . 4.300 3.395 3.333 3.511 . 0 0 "[ . 1 . 2]" 1
301 1 14 TRP HB3 1 36 THR H . . 4.820 4.638 4.572 4.718 . 0 0 "[ . 1 . 2]" 1
302 1 15 PHE HA 1 36 THR H . . 4.510 4.093 4.030 4.162 . 0 0 "[ . 1 . 2]" 1
303 1 17 ARG H 1 36 THR H . . 4.000 3.328 3.224 3.471 . 0 0 "[ . 1 . 2]" 1
304 1 28 GLY H 1 40 PRO HD2 . . 5.320 4.332 4.161 4.527 . 0 0 "[ . 1 . 2]" 1
305 1 28 GLY H 1 40 PRO HD3 . . 4.190 3.787 3.608 4.169 . 0 0 "[ . 1 . 2]" 1
306 1 29 SER HB3 1 39 THR H . . 4.910 3.908 3.415 4.409 . 0 0 "[ . 1 . 2]" 1
307 1 26 TYR HB3 1 39 THR H . . 3.810 3.244 2.932 3.465 . 0 0 "[ . 1 . 2]" 1
308 1 26 TYR HB2 1 39 THR H . . 5.500 4.883 4.490 5.122 . 0 0 "[ . 1 . 2]" 1
309 1 6 CYS H 1 9 SER HB2 . . 5.350 5.116 4.884 5.351 0.001 15 0 "[ . 1 . 2]" 1
310 1 6 CYS H 1 9 SER HB3 . . 4.080 3.786 3.485 4.093 0.013 15 0 "[ . 1 . 2]" 1
311 1 6 CYS H 1 10 LYS HA . . 4.460 4.067 3.822 4.380 . 0 0 "[ . 1 . 2]" 1
312 1 40 PRO HB2 1 42 ASP H . . 5.350 5.152 4.976 5.222 . 0 0 "[ . 1 . 2]" 1
313 1 33 PHE HB2 1 35 GLY H . . 5.500 5.475 5.371 5.516 0.016 15 0 "[ . 1 . 2]" 1
314 1 33 PHE HB3 1 35 GLY H . . 4.950 4.549 4.462 4.821 . 0 0 "[ . 1 . 2]" 1
315 1 2 THR H 1 13 TYR QD . . 3.080 2.973 2.813 3.074 . 0 0 "[ . 1 . 2]" 1
316 1 32 TYR H 1 32 TYR QD . . 4.510 4.264 4.204 4.331 . 0 0 "[ . 1 . 2]" 1
317 1 24 ARG HB2 1 25 GLY H . . 4.040 3.246 3.118 3.351 . 0 0 "[ . 1 . 2]" 1
318 1 12 ILE MD 1 42 ASP H . . 3.800 3.340 3.143 3.589 . 0 0 "[ . 1 . 2]" 1
319 1 12 ILE HB 1 42 ASP H . . 4.330 4.129 4.033 4.325 . 0 0 "[ . 1 . 2]" 1
320 1 32 TYR H 1 36 THR MG . . 4.770 3.071 2.911 3.294 . 0 0 "[ . 1 . 2]" 1
321 1 12 ILE HG12 1 42 ASP H . . 3.000 2.313 2.104 2.560 . 0 0 "[ . 1 . 2]" 1
322 1 12 ILE HG13 1 42 ASP H . . 3.000 2.825 2.715 2.985 . 0 0 "[ . 1 . 2]" 1
323 1 6 CYS HB2 1 9 SER H . . 4.540 4.218 4.071 4.402 . 0 0 "[ . 1 . 2]" 1
324 1 9 SER H 1 39 THR MG . . 5.360 5.074 4.978 5.194 . 0 0 "[ . 1 . 2]" 1
325 1 5 SER HB2 1 9 SER H . . 4.660 4.380 4.160 4.556 . 0 0 "[ . 1 . 2]" 1
326 1 5 SER HB3 1 9 SER H . . 4.660 3.896 3.622 4.257 . 0 0 "[ . 1 . 2]" 1
327 1 33 PHE QD 1 34 LEU H . . 3.930 3.839 3.671 3.940 0.010 15 0 "[ . 1 . 2]" 1
328 1 4 CYS H 1 12 ILE MD . . 5.290 4.443 4.316 4.551 . 0 0 "[ . 1 . 2]" 1
329 1 24 ARG HB2 1 26 TYR H . . 4.020 3.514 3.334 3.614 . 0 0 "[ . 1 . 2]" 1
330 1 4 CYS H 1 10 LYS HA . . 5.180 4.737 4.606 4.917 . 0 0 "[ . 1 . 2]" 1
331 1 14 TRP HE3 1 17 ARG HD2 . . 3.440 2.333 1.995 3.452 0.012 12 0 "[ . 1 . 2]" 1
332 1 14 TRP HE3 1 17 ARG HD3 . . 3.440 2.414 1.985 3.083 . 0 0 "[ . 1 . 2]" 1
333 1 14 TRP HE3 1 17 ARG QG . . 4.530 4.011 3.828 4.115 . 0 0 "[ . 1 . 2]" 1
334 1 14 TRP HE3 1 21 PRO HG3 . . 5.500 5.389 5.129 5.505 0.005 18 0 "[ . 1 . 2]" 1
335 1 12 ILE MG 1 14 TRP HE3 . . 5.070 4.613 4.524 4.762 . 0 0 "[ . 1 . 2]" 1
336 1 14 TRP HZ2 1 26 TYR QE . . 4.280 2.702 2.146 3.036 . 0 0 "[ . 1 . 2]" 1
337 1 14 TRP HZ2 1 24 ARG HD3 . . 4.490 4.291 4.029 4.490 . 0 0 "[ . 1 . 2]" 1
338 1 14 TRP HZ2 1 24 ARG HB3 . . 5.500 4.984 4.199 5.288 . 0 0 "[ . 1 . 2]" 1
339 1 14 TRP HZ2 1 24 ARG HG3 . . 4.450 3.171 2.319 3.464 . 0 0 "[ . 1 . 2]" 1
340 1 12 ILE MG 1 14 TRP HZ2 . . 3.690 3.201 2.955 3.416 . 0 0 "[ . 1 . 2]" 1
341 1 14 TRP HZ2 1 21 PRO HG3 . . 4.560 3.193 2.772 3.387 . 0 0 "[ . 1 . 2]" 1
342 1 39 THR HB 1 41 ALA H . . 4.280 4.262 4.217 4.280 . 0 0 "[ . 1 . 2]" 1
343 1 39 THR MG 1 41 ALA H . . 4.160 3.069 2.994 3.159 . 0 0 "[ . 1 . 2]" 1
344 1 10 LYS HB2 1 41 ALA H . . 4.450 4.311 4.086 4.453 0.003 5 0 "[ . 1 . 2]" 1
345 1 11 GLY HA3 1 41 ALA H . . 4.710 4.457 4.385 4.540 . 0 0 "[ . 1 . 2]" 1
346 1 11 GLY HA2 1 41 ALA H . . 3.260 2.994 2.928 3.060 . 0 0 "[ . 1 . 2]" 1
347 1 39 THR HA 1 41 ALA H . . 4.430 3.553 3.522 3.580 . 0 0 "[ . 1 . 2]" 1
348 1 41 ALA H 1 42 ASP HA . . 5.500 5.340 5.263 5.508 0.008 8 0 "[ . 1 . 2]" 1
349 1 17 ARG H 1 18 PRO HD3 . . 4.940 3.075 3.030 3.146 . 0 0 "[ . 1 . 2]" 1
350 1 15 PHE HA 1 17 ARG H . . 4.530 4.535 4.478 4.549 0.019 1 0 "[ . 1 . 2]" 1
351 1 17 ARG H 1 35 GLY QA . . 3.020 2.784 2.693 2.912 . 0 0 "[ . 1 . 2]" 1
352 1 5 SER H 1 32 TYR QD . . 5.390 4.994 4.878 5.085 . 0 0 "[ . 1 . 2]" 1
353 1 33 PHE QE 1 34 LEU MD1 . . 4.800 4.592 4.367 4.800 0.000 6 0 "[ . 1 . 2]" 1
354 1 33 PHE QE 1 34 LEU MD2 . . 4.990 4.823 4.510 4.989 . 0 0 "[ . 1 . 2]" 1
355 1 15 PHE QE 1 34 LEU HB2 . . 3.950 3.761 3.575 3.919 . 0 0 "[ . 1 . 2]" 1
356 1 15 PHE QE 1 34 LEU MD1 . . 3.280 2.909 2.710 3.200 . 0 0 "[ . 1 . 2]" 1
357 1 15 PHE QE 1 34 LEU MD2 . . 4.960 4.568 4.359 4.777 . 0 0 "[ . 1 . 2]" 1
358 1 20 CYS HB3 1 26 TYR QD . . 2.580 2.126 2.000 2.407 . 0 0 "[ . 1 . 2]" 1
359 1 26 TYR QD 1 38 CYS HB2 . . 4.390 3.900 3.681 4.131 . 0 0 "[ . 1 . 2]" 1
360 1 24 ARG HB3 1 26 TYR QD . . 3.880 3.711 3.523 3.774 . 0 0 "[ . 1 . 2]" 1
361 1 26 TYR QD 1 38 CYS HB3 . . 3.460 2.944 2.732 3.132 . 0 0 "[ . 1 . 2]" 1
362 1 21 PRO HG2 1 26 TYR QD . . 3.390 2.914 2.606 3.087 . 0 0 "[ . 1 . 2]" 1
363 1 24 ARG HB2 1 26 TYR QD . . 3.650 2.847 2.516 3.026 . 0 0 "[ . 1 . 2]" 1
364 1 21 PRO HD3 1 26 TYR QD . . 4.850 4.058 3.698 4.270 . 0 0 "[ . 1 . 2]" 1
365 1 26 TYR QD 1 40 PRO HD3 . . 4.440 4.254 4.199 4.445 0.005 12 0 "[ . 1 . 2]" 1
366 1 15 PHE HA 1 15 PHE QE . . 4.650 4.381 4.227 4.521 . 0 0 "[ . 1 . 2]" 1
367 1 26 TYR QD 1 40 PRO HD2 . . 3.400 2.832 2.710 3.193 . 0 0 "[ . 1 . 2]" 1
368 1 20 CYS HA 1 26 TYR QD . . 4.530 4.183 3.898 4.365 . 0 0 "[ . 1 . 2]" 1
369 1 26 TYR QD 1 41 ALA HA . . 4.700 4.684 4.605 4.717 0.017 5 0 "[ . 1 . 2]" 1
370 1 14 TRP HD1 1 20 CYS HA . . 5.500 5.218 5.020 5.362 . 0 0 "[ . 1 . 2]" 1
371 1 14 TRP HD1 1 37 CYS HA . . 4.980 3.303 3.235 3.485 . 0 0 "[ . 1 . 2]" 1
372 1 14 TRP HD1 1 21 PRO HD3 . . 5.500 5.309 4.898 5.495 . 0 0 "[ . 1 . 2]" 1
373 1 15 PHE HB3 1 16 TYR QD . . 3.700 2.364 2.222 2.771 . 0 0 "[ . 1 . 2]" 1
374 1 14 TRP HD1 1 38 CYS HB2 . . 2.950 2.799 2.418 2.961 0.011 9 0 "[ . 1 . 2]" 1
375 1 12 ILE HB 1 14 TRP HD1 . . 3.980 3.704 3.547 3.882 . 0 0 "[ . 1 . 2]" 1
376 1 14 TRP HD1 1 17 ARG HB3 . . 5.050 4.916 4.852 4.964 . 0 0 "[ . 1 . 2]" 1
377 1 13 TYR QE 1 34 LEU HB3 . . 5.020 4.404 4.308 4.574 . 0 0 "[ . 1 . 2]" 1
378 1 16 TYR QD 1 34 LEU HB3 . . 5.420 4.238 3.961 4.701 . 0 0 "[ . 1 . 2]" 1
379 1 13 TYR QE 1 34 LEU HB2 . . 5.260 3.709 3.604 3.781 . 0 0 "[ . 1 . 2]" 1
380 1 14 TRP HD1 1 38 CYS HB3 . . 4.450 4.353 4.080 4.454 0.004 1 0 "[ . 1 . 2]" 1
381 1 14 TRP HD1 1 36 THR MG . . 4.920 4.872 4.758 4.923 0.003 20 0 "[ . 1 . 2]" 1
382 1 12 ILE MG 1 14 TRP HD1 . . 3.610 3.385 3.273 3.523 . 0 0 "[ . 1 . 2]" 1
383 1 13 TYR QE 1 34 LEU MD1 . . 4.620 4.101 3.862 4.376 . 0 0 "[ . 1 . 2]" 1
384 1 13 TYR QE 1 34 LEU MD2 . . 5.500 5.472 5.429 5.508 0.008 3 0 "[ . 1 . 2]" 1
385 1 16 TYR QD 1 34 LEU MD2 . . 5.500 4.369 4.061 4.869 . 0 0 "[ . 1 . 2]" 1
386 1 15 PHE HB3 1 16 TYR QE . . 3.990 3.920 3.744 3.993 0.003 13 0 "[ . 1 . 2]" 1
387 1 16 TYR QE 1 34 LEU HB3 . . 4.050 3.339 3.019 3.907 . 0 0 "[ . 1 . 2]" 1
388 1 16 TYR QE 1 34 LEU HB2 . . 5.500 4.846 4.628 5.321 . 0 0 "[ . 1 . 2]" 1
389 1 33 PHE QD 1 34 LEU MD1 . . 3.910 3.261 3.044 3.566 . 0 0 "[ . 1 . 2]" 1
390 1 16 TYR QE 1 34 LEU MD2 . . 4.080 2.809 2.482 3.416 . 0 0 "[ . 1 . 2]" 1
391 1 33 PHE QD 1 34 LEU HG . . 4.070 2.552 2.242 2.793 . 0 0 "[ . 1 . 2]" 1
392 1 4 CYS HB2 1 32 TYR QD . . 3.770 3.522 3.431 3.647 . 0 0 "[ . 1 . 2]" 1
393 1 32 TYR QD 1 37 CYS HB2 . . 3.500 2.670 2.540 2.801 . 0 0 "[ . 1 . 2]" 1
394 1 13 TYR HB2 1 32 TYR QD . . 4.590 4.484 4.356 4.593 0.003 17 0 "[ . 1 . 2]" 1
395 1 4 CYS HB3 1 32 TYR QD . . 4.060 3.859 3.670 3.956 . 0 0 "[ . 1 . 2]" 1
396 1 13 TYR QD 1 37 CYS HB2 . . 4.310 4.000 3.861 4.051 . 0 0 "[ . 1 . 2]" 1
397 1 32 TYR QE 1 37 CYS HB2 . . 4.600 3.990 3.857 4.109 . 0 0 "[ . 1 . 2]" 1
398 1 21 PRO HD2 1 26 TYR QE . . 3.230 2.477 2.291 2.725 . 0 0 "[ . 1 . 2]" 1
399 1 4 CYS HB3 1 32 TYR QE . . 3.650 2.789 2.563 2.974 . 0 0 "[ . 1 . 2]" 1
400 1 32 TYR QE 1 34 LEU HB2 . . 4.550 4.466 4.156 4.557 0.007 15 0 "[ . 1 . 2]" 1
401 1 2 THR MG 1 13 TYR QD . . 3.470 3.418 3.375 3.469 . 0 0 "[ . 1 . 2]" 1
402 1 13 TYR QD 1 36 THR MG . . 5.500 5.248 5.168 5.306 . 0 0 "[ . 1 . 2]" 1
403 1 32 TYR QE 1 34 LEU MD1 . . 4.550 4.417 3.905 4.554 0.004 5 0 "[ . 1 . 2]" 1
404 1 4 CYS HB2 1 32 TYR QE . . 3.550 2.722 2.444 2.931 . 0 0 "[ . 1 . 2]" 1
405 1 21 PRO HG2 1 26 TYR QE . . 2.780 2.158 2.012 2.618 . 0 0 "[ . 1 . 2]" 1
406 1 32 TYR QE 1 37 CYS HB3 . . 5.310 5.273 5.123 5.319 0.009 15 0 "[ . 1 . 2]" 1
407 1 13 TYR QD 1 37 CYS HB3 . . 5.500 5.463 5.319 5.506 0.006 3 0 "[ . 1 . 2]" 1
408 1 2 THR HB 1 13 TYR QD . . 3.470 2.008 1.996 2.051 . 0 0 "[ . 1 . 2]" 1
409 1 13 TYR QD 1 14 TRP HA . . 4.510 4.432 4.359 4.514 0.004 20 0 "[ . 1 . 2]" 1
410 1 13 TYR QD 1 37 CYS HA . . 4.170 3.597 3.459 3.670 . 0 0 "[ . 1 . 2]" 1
411 1 32 TYR QD 1 37 CYS HB3 . . 4.100 3.803 3.680 3.860 . 0 0 "[ . 1 . 2]" 1
412 1 13 TYR QD 1 38 CYS H . . 5.430 5.301 5.178 5.363 . 0 0 "[ . 1 . 2]" 1
413 1 14 TRP HA 1 15 PHE QD . . 4.940 4.394 3.946 4.830 . 0 0 "[ . 1 . 2]" 1
414 1 15 PHE HA 1 15 PHE QD . . 3.350 2.545 2.212 2.815 . 0 0 "[ . 1 . 2]" 1
415 1 15 PHE QD 1 34 LEU HB3 . . 3.720 3.275 2.974 3.604 . 0 0 "[ . 1 . 2]" 1
416 1 15 PHE QD 1 34 LEU HB2 . . 3.840 3.772 3.638 3.840 . 2 0 "[ . 1 . 2]" 1
417 1 15 PHE QD 1 34 LEU MD1 . . 3.990 3.725 3.463 3.996 0.006 19 0 "[ . 1 . 2]" 1
418 1 11 GLY HA2 1 38 CYS H . . 5.500 5.496 5.382 5.511 0.011 17 0 "[ . 1 . 2]" 1
419 1 29 SER HA 1 37 CYS H . . 4.980 4.739 4.490 4.862 . 0 0 "[ . 1 . 2]" 1
420 1 32 TYR H 1 37 CYS H . . 3.990 3.876 3.778 3.997 0.007 9 0 "[ . 1 . 2]" 1
421 1 29 SER HA 1 38 CYS HA . . 3.130 2.575 2.371 2.734 . 0 0 "[ . 1 . 2]" 1
422 1 29 SER HA 1 39 THR H . . 3.670 2.897 2.745 3.111 . 0 0 "[ . 1 . 2]" 1
423 1 39 THR H 1 39 THR HG1 . . 3.930 1.963 1.942 2.069 . 0 0 "[ . 1 . 2]" 1
424 1 12 ILE H 1 39 THR H . . 5.500 4.992 4.906 5.099 . 0 0 "[ . 1 . 2]" 1
425 1 30 CYS H 1 39 THR H . . 5.500 4.611 4.393 4.802 . 0 0 "[ . 1 . 2]" 1
426 1 30 CYS H 1 38 CYS HA . . 4.840 3.823 3.716 3.991 . 0 0 "[ . 1 . 2]" 1
427 1 12 ILE MG 1 14 TRP HH2 . . 5.120 4.315 4.088 4.553 . 0 0 "[ . 1 . 2]" 1
428 1 14 TRP HH2 1 21 PRO HG2 . . 5.500 4.764 4.542 4.898 . 0 0 "[ . 1 . 2]" 1
429 1 14 TRP HH2 1 21 PRO HG3 . . 4.440 3.287 3.037 3.405 . 0 0 "[ . 1 . 2]" 1
430 1 14 TRP HZ3 1 21 PRO HG3 . . 4.590 4.473 4.238 4.596 0.006 15 0 "[ . 1 . 2]" 1
431 1 12 ILE MG 1 14 TRP HZ3 . . 5.400 4.954 4.820 5.149 . 0 0 "[ . 1 . 2]" 1
432 1 17 ARG QG 1 19 SER H . . 4.080 3.947 3.805 4.015 . 0 0 "[ . 1 . 2]" 1
433 1 35 GLY QA 1 36 THR HG1 . . 4.460 3.745 3.237 3.962 . 0 0 "[ . 1 . 2]" 1
434 1 36 THR HG1 1 36 THR MG . . 3.360 2.817 2.697 3.025 . 0 0 "[ . 1 . 2]" 1
435 1 29 SER HG 1 36 THR MG . . 3.370 2.999 2.347 3.370 . 0 0 "[ . 1 . 2]" 1
436 1 39 THR HG1 1 39 THR MG . . 3.430 2.430 2.349 3.016 . 0 0 "[ . 1 . 2]" 1
437 1 21 PRO HA 1 22 THR H . . 3.050 2.326 2.222 2.601 . 0 0 "[ . 1 . 2]" 1
438 1 32 TYR HB3 1 33 PHE H . . 3.780 3.048 3.019 3.131 . 0 0 "[ . 1 . 2]" 1
439 1 32 TYR HB2 1 33 PHE H . . 5.500 3.872 3.854 3.922 . 0 0 "[ . 1 . 2]" 1
440 1 21 PRO HB2 1 22 THR H . . 4.600 2.833 2.148 3.136 . 0 0 "[ . 1 . 2]" 1
441 1 31 ARG H 1 36 THR MG . . 3.700 3.437 3.342 3.537 . 0 0 "[ . 1 . 2]" 1
442 1 21 PRO HB3 1 22 THR H . . 4.600 3.578 3.238 3.746 . 0 0 "[ . 1 . 2]" 1
443 1 14 TRP HE3 1 17 ARG HB3 . . 4.510 4.517 4.504 4.530 0.020 20 0 "[ . 1 . 2]" 1
444 1 26 TYR QD 1 27 THR H . . 4.000 3.802 3.629 3.884 . 0 0 "[ . 1 . 2]" 1
445 1 14 TRP HD1 1 38 CYS H . . 3.480 2.404 2.332 2.491 . 0 0 "[ . 1 . 2]" 1
446 1 16 TYR H 1 16 TYR QD . . 4.000 2.961 2.726 3.534 . 0 0 "[ . 1 . 2]" 1
447 1 15 PHE QD 1 16 TYR H . . 4.220 3.746 3.365 4.131 . 0 0 "[ . 1 . 2]" 1
448 1 13 TYR QD 1 16 TYR H . . 5.500 5.533 5.521 5.541 0.041 2 0 "[ . 1 . 2]" 1
449 1 13 TYR QD 1 36 THR H . . 3.530 3.068 2.950 3.158 . 0 0 "[ . 1 . 2]" 1
450 1 26 TYR QE 1 42 ASP H . . 3.580 2.112 1.945 2.424 . 0 0 "[ . 1 . 2]" 1
451 1 13 TYR QD 1 32 TYR H . . 5.500 5.497 5.432 5.527 0.027 20 0 "[ . 1 . 2]" 1
452 1 26 TYR QD 1 39 THR H . . 4.850 4.073 3.571 4.330 . 0 0 "[ . 1 . 2]" 1
453 1 25 GLY H 1 26 TYR QD . . 4.790 4.340 4.247 4.444 . 0 0 "[ . 1 . 2]" 1
454 1 26 TYR QD 1 42 ASP H . . 5.080 4.240 4.054 4.476 . 0 0 "[ . 1 . 2]" 1
455 1 13 TYR QD 1 15 PHE H . . 5.280 4.876 4.815 4.992 . 0 0 "[ . 1 . 2]" 1
456 1 26 TYR H 1 26 TYR QE . . 5.500 4.722 4.594 4.846 . 0 0 "[ . 1 . 2]" 1
457 1 15 PHE H 1 15 PHE QD . . 3.630 2.881 2.491 3.290 . 0 0 "[ . 1 . 2]" 1
458 1 26 TYR H 1 26 TYR QD . . 3.390 3.233 2.996 3.352 . 0 0 "[ . 1 . 2]" 1
459 1 5 SER H 1 32 TYR QE . . 3.780 3.624 3.381 3.781 0.001 16 0 "[ . 1 . 2]" 1
460 1 14 TRP HA 1 14 TRP HD1 . . 4.130 4.073 4.022 4.103 . 0 0 "[ . 1 . 2]" 1
461 1 2 THR HA 1 13 TYR QD . . 4.790 4.472 4.399 4.506 . 0 0 "[ . 1 . 2]" 1
462 1 26 TYR QE 1 42 ASP HA . . 5.050 3.998 3.067 4.728 . 0 0 "[ . 1 . 2]" 1
463 1 17 ARG HB2 1 17 ARG HE . . 4.830 4.553 4.355 4.730 . 0 0 "[ . 1 . 2]" 1
464 1 17 ARG HB3 1 17 ARG HE . . 4.920 4.387 3.773 4.850 . 0 0 "[ . 1 . 2]" 1
465 1 29 SER HA 1 30 CYS HA . . 4.860 4.399 4.389 4.409 . 0 0 "[ . 1 . 2]" 1
466 1 29 SER HA 1 29 SER HB3 . . 3.010 2.552 2.462 2.637 . 0 0 "[ . 1 . 2]" 1
467 1 29 SER HA 1 30 CYS H . . 2.540 2.196 2.164 2.236 . 0 0 "[ . 1 . 2]" 1
468 1 36 THR H 1 36 THR HG1 . . 4.180 3.339 2.732 3.574 . 0 0 "[ . 1 . 2]" 1
469 1 2 THR HA 1 13 TYR H . . 5.080 4.891 4.824 4.960 . 0 0 "[ . 1 . 2]" 1
470 1 15 PHE HA 1 35 GLY QA . . 3.020 2.644 2.595 2.703 . 0 0 "[ . 1 . 2]" 1
471 1 14 TRP HZ2 1 24 ARG HD2 . . 4.490 3.897 3.409 4.502 0.012 17 0 "[ . 1 . 2]" 1
472 1 24 ARG HA 1 24 ARG HD2 . . 4.420 3.821 2.195 4.149 . 0 0 "[ . 1 . 2]" 1
473 1 5 SER HA 1 10 LYS HA . . 3.670 2.639 2.461 2.889 . 0 0 "[ . 1 . 2]" 1
474 1 26 TYR HA 1 40 PRO HD2 . . 3.740 2.017 1.990 2.178 . 0 0 "[ . 1 . 2]" 1
475 1 39 THR HB 1 40 PRO HA . . 2.640 1.971 1.956 1.983 . 0 0 "[ . 1 . 2]" 1
476 1 26 TYR HA 1 40 PRO HD3 . . 4.780 3.483 3.363 3.673 . 0 0 "[ . 1 . 2]" 1
477 1 15 PHE HA 1 16 TYR HA . . 4.420 4.365 4.363 4.368 . 0 0 "[ . 1 . 2]" 1
478 1 39 THR MG 1 40 PRO HA . . 3.690 2.372 2.311 2.465 . 0 0 "[ . 1 . 2]" 1
479 1 11 GLY HA2 1 39 THR MG . . 3.300 2.249 2.199 2.376 . 0 0 "[ . 1 . 2]" 1
480 1 10 LYS HA 1 39 THR MG . . 5.050 4.021 3.969 4.110 . 0 0 "[ . 1 . 2]" 1
481 1 9 SER HB3 1 39 THR MG . . 3.470 3.180 3.075 3.330 . 0 0 "[ . 1 . 2]" 1
482 1 11 GLY HA3 1 39 THR MG . . 2.910 1.906 1.883 1.933 . 0 0 "[ . 1 . 2]" 1
483 1 6 CYS HB3 1 39 THR MG . . 4.430 4.226 4.027 4.358 . 0 0 "[ . 1 . 2]" 1
484 1 12 ILE MD 1 41 ALA HA . . 3.740 3.169 2.988 3.385 . 0 0 "[ . 1 . 2]" 1
485 1 31 ARG HA 1 36 THR MG . . 4.080 1.971 1.913 2.104 . 0 0 "[ . 1 . 2]" 1
486 1 29 SER HB3 1 36 THR MG . . 4.200 4.025 3.878 4.136 . 0 0 "[ . 1 . 2]" 1
487 1 29 SER HB2 1 36 THR MG . . 2.820 2.542 2.364 2.634 . 0 0 "[ . 1 . 2]" 1
488 1 27 THR MG 1 40 PRO HD2 . . 4.010 3.410 2.772 3.878 . 0 0 "[ . 1 . 2]" 1
489 1 27 THR MG 1 40 PRO HD3 . . 3.880 3.096 2.578 3.564 . 0 0 "[ . 1 . 2]" 1
490 1 11 GLY HA2 1 41 ALA MB . . 3.310 2.124 2.041 2.270 . 0 0 "[ . 1 . 2]" 1
491 1 10 LYS HB3 1 41 ALA MB . . 3.450 2.949 2.586 3.188 . 0 0 "[ . 1 . 2]" 1
492 1 10 LYS HB2 1 41 ALA MB . . 3.400 2.694 2.367 2.878 . 0 0 "[ . 1 . 2]" 1
493 1 12 ILE HB 1 41 ALA MB . . 4.920 4.915 4.839 4.934 0.014 20 0 "[ . 1 . 2]" 1
494 1 32 TYR HB2 1 37 CYS HB2 . . 3.620 3.472 3.380 3.562 . 0 0 "[ . 1 . 2]" 1
495 1 14 TRP HB3 1 17 ARG HB3 . . 3.430 2.867 2.808 2.949 . 0 0 "[ . 1 . 2]" 1
496 1 14 TRP HB3 1 17 ARG QG . . 4.110 3.375 3.225 3.541 . 0 0 "[ . 1 . 2]" 1
497 1 2 THR HB 1 13 TYR HB3 . . 3.180 2.408 2.365 2.441 . 0 0 "[ . 1 . 2]" 1
498 1 12 ILE HB 1 41 ALA HA . . 4.170 4.170 4.134 4.185 0.015 5 0 "[ . 1 . 2]" 1
499 1 17 ARG HB3 1 18 PRO HD2 . . 4.550 4.417 4.395 4.429 . 0 0 "[ . 1 . 2]" 1
500 1 40 PRO HA 1 41 ALA MB . . 5.490 4.080 4.064 4.100 . 0 0 "[ . 1 . 2]" 1
501 1 4 CYS HB3 1 13 TYR HB2 . . 3.330 2.295 2.144 2.379 . 0 0 "[ . 1 . 2]" 1
502 1 3 ALA HA 1 12 ILE MD . . 3.770 3.731 3.643 3.777 0.007 2 0 "[ . 1 . 2]" 1
503 1 32 TYR QE 1 34 LEU H . . 4.070 3.904 3.563 4.016 . 0 0 "[ . 1 . 2]" 1
504 1 14 TRP HB3 1 17 ARG HB2 . . 4.610 2.002 1.990 2.046 . 0 0 "[ . 1 . 2]" 1
505 1 14 TRP HB2 1 17 ARG HB2 . . 4.940 2.381 2.289 2.517 . 0 0 "[ . 1 . 2]" 1
506 1 17 ARG QG 1 18 PRO HD2 . . 4.700 3.790 3.701 3.843 . 0 0 "[ . 1 . 2]" 1
507 1 39 THR MG 1 41 ALA HA . . 5.080 3.785 3.732 3.846 . 0 0 "[ . 1 . 2]" 1
508 1 6 CYS HB2 1 39 THR MG . . 2.950 2.887 2.687 2.957 0.007 14 0 "[ . 1 . 2]" 1
509 1 16 TYR H 1 35 GLY QA . . 3.580 1.919 1.902 1.954 . 0 0 "[ . 1 . 2]" 1
510 1 12 ILE MG 1 42 ASP H . . 4.870 4.651 4.545 4.790 . 0 0 "[ . 1 . 2]" 1
511 1 32 TYR HA 1 33 PHE H . . 3.480 2.488 2.447 2.501 . 0 0 "[ . 1 . 2]" 1
512 1 31 ARG H 1 31 ARG HG2 . . 3.940 3.295 3.062 3.919 . 0 0 "[ . 1 . 2]" 1
513 1 12 ILE MD 1 41 ALA MB . . 2.730 2.600 2.321 2.728 . 0 0 "[ . 1 . 2]" 1
514 1 18 PRO HG3 1 19 SER H . . 4.500 4.362 4.328 4.386 . 0 0 "[ . 1 . 2]" 1
515 1 33 PHE QD 1 34 LEU HB2 . . 5.000 4.376 4.138 4.610 . 0 0 "[ . 1 . 2]" 1
516 1 31 ARG HA 1 31 ARG HG2 . . 4.080 2.984 2.162 4.172 0.092 4 0 "[ . 1 . 2]" 1
517 1 24 ARG HB3 1 26 TYR H . . 5.500 3.864 3.687 3.992 . 0 0 "[ . 1 . 2]" 1
518 1 14 TRP HE3 1 17 ARG HB2 . . 5.470 4.084 4.023 4.116 . 0 0 "[ . 1 . 2]" 1
519 1 17 ARG QG 1 18 PRO HD3 . . 5.500 4.649 4.602 4.678 . 0 0 "[ . 1 . 2]" 1
520 1 17 ARG HB3 1 18 PRO HD3 . . 5.500 5.006 5.001 5.011 . 0 0 "[ . 1 . 2]" 1
521 1 5 SER H 1 5 SER QB . . 3.330 3.143 3.067 3.238 . 0 0 "[ . 1 . 2]" 1
522 1 5 SER QB 1 6 CYS H . . 3.060 2.965 2.855 3.047 . 0 0 "[ . 1 . 2]" 1
523 1 5 SER QB 1 10 LYS HA . . 3.670 3.369 3.208 3.462 . 0 0 "[ . 1 . 2]" 1
524 1 5 SER QB 1 11 GLY H . . 4.950 4.713 4.414 4.849 . 0 0 "[ . 1 . 2]" 1
525 1 5 SER QB 1 39 THR MG . . 5.340 5.291 5.072 5.346 0.006 3 0 "[ . 1 . 2]" 1
526 1 7 GLY QA 1 9 SER H . . 4.370 3.930 3.888 3.995 . 0 0 "[ . 1 . 2]" 1
527 1 8 ASN QB 1 8 ASN QD . . 2.960 2.161 2.063 2.456 . 0 0 "[ . 1 . 2]" 1
528 1 8 ASN QB 1 9 SER H . . 4.140 3.780 3.711 4.022 . 0 0 "[ . 1 . 2]" 1
529 1 10 LYS H 1 10 LYS QG . . 2.980 2.687 2.412 2.934 . 0 0 "[ . 1 . 2]" 1
530 1 10 LYS HA 1 10 LYS QG . . 3.620 2.567 2.477 2.834 . 0 0 "[ . 1 . 2]" 1
531 1 10 LYS QD 1 10 LYS QG . . 2.200 2.053 2.015 2.086 . 0 0 "[ . 1 . 2]" 1
532 1 10 LYS QG 1 11 GLY H . . 4.310 4.086 3.920 4.321 0.011 14 0 "[ . 1 . 2]" 1
533 1 12 ILE QG 1 12 ILE MG . . 3.140 2.219 2.191 2.264 . 0 0 "[ . 1 . 2]" 1
534 1 12 ILE QG 1 13 TYR H . . 5.340 4.658 4.603 4.683 . 0 0 "[ . 1 . 2]" 1
535 1 12 ILE QG 1 14 TRP HE1 . . 4.380 3.751 3.646 3.902 . 0 0 "[ . 1 . 2]" 1
536 1 12 ILE QG 1 26 TYR QE . . 4.350 3.169 2.840 3.459 . 0 0 "[ . 1 . 2]" 1
537 1 12 ILE QG 1 41 ALA HA . . 3.380 2.133 2.066 2.242 . 0 0 "[ . 1 . 2]" 1
538 1 12 ILE QG 1 41 ALA MB . . 3.980 2.990 2.877 3.093 . 0 0 "[ . 1 . 2]" 1
539 1 14 TRP HB3 1 17 ARG QD . . 3.170 2.054 1.942 2.277 . 0 0 "[ . 1 . 2]" 1
540 1 14 TRP HE3 1 17 ARG QD . . 3.000 1.958 1.918 2.031 . 0 0 "[ . 1 . 2]" 1
541 1 14 TRP HZ2 1 24 ARG QD . . 3.830 3.601 3.263 3.863 0.033 8 0 "[ . 1 . 2]" 1
542 1 14 TRP HH2 1 24 ARG QD . . 3.940 3.818 3.565 3.916 . 0 0 "[ . 1 . 2]" 1
543 1 17 ARG HB2 1 17 ARG QD . . 3.420 2.371 2.111 2.600 . 0 0 "[ . 1 . 2]" 1
544 1 17 ARG HB3 1 17 ARG QD . . 3.000 2.434 2.146 2.972 . 0 0 "[ . 1 . 2]" 1
545 1 21 PRO QB 1 22 THR H . . 3.970 2.725 2.119 2.985 . 0 0 "[ . 1 . 2]" 1
546 1 21 PRO QB 1 23 ASP H . . 3.440 2.658 2.500 2.731 . 0 0 "[ . 1 . 2]" 1
547 1 21 PRO QB 1 26 TYR QD . . 5.340 4.626 4.428 4.770 . 0 0 "[ . 1 . 2]" 1
548 1 21 PRO HG2 1 24 ARG QD . . 4.590 4.011 3.885 4.216 . 0 0 "[ . 1 . 2]" 1
549 1 23 ASP H 1 23 ASP QB . . 3.170 2.353 2.179 2.682 . 0 0 "[ . 1 . 2]" 1
550 1 24 ARG H 1 24 ARG QD . . 5.340 4.271 3.672 4.402 . 0 0 "[ . 1 . 2]" 1
551 1 24 ARG HA 1 24 ARG QD . . 3.790 3.032 2.171 3.248 . 0 0 "[ . 1 . 2]" 1
552 1 24 ARG HB3 1 24 ARG QD . . 3.360 2.172 2.104 2.387 . 0 0 "[ . 1 . 2]" 1
553 1 24 ARG QD 1 26 TYR QE . . 4.190 3.429 3.262 3.958 . 0 0 "[ . 1 . 2]" 1
554 1 25 GLY H 1 25 GLY QA . . 2.430 2.356 2.333 2.390 . 0 0 "[ . 1 . 2]" 1
555 1 28 GLY QA 1 29 SER H . . 2.490 2.205 2.161 2.240 . 0 0 "[ . 1 . 2]" 1
556 1 28 GLY QA 1 29 SER HA . . 4.960 3.935 3.933 3.938 . 0 0 "[ . 1 . 2]" 1
557 1 31 ARG H 1 31 ARG QB . . 2.950 2.257 2.117 2.365 . 0 0 "[ . 1 . 2]" 1
558 1 31 ARG H 1 31 ARG QG . . 3.440 2.729 2.461 3.355 . 0 0 "[ . 1 . 2]" 1
559 1 31 ARG HA 1 31 ARG QG . . 3.430 2.622 2.123 3.379 . 0 0 "[ . 1 . 2]" 1
560 1 31 ARG QB 1 32 TYR H . . 3.670 3.015 2.797 3.284 . 0 0 "[ . 1 . 2]" 1
561 1 31 ARG HE 1 31 ARG QG . . 3.440 2.518 2.098 3.307 . 0 0 "[ . 1 . 2]" 1
562 1 31 ARG QG 1 32 TYR H . . 3.960 3.863 3.577 3.989 0.029 9 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 26
_Distance_constraint_stats_list.Viol_count 90
_Distance_constraint_stats_list.Viol_total 28.170
_Distance_constraint_stats_list.Viol_max 0.050
_Distance_constraint_stats_list.Viol_rms 0.0080
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0027
_Distance_constraint_stats_list.Viol_average_violations_only 0.0157
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 THR 0.004 0.004 14 0 "[ . 1 . 2]"
1 4 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ILE 0.113 0.012 3 0 "[ . 1 . 2]"
1 13 TYR 0.004 0.004 14 0 "[ . 1 . 2]"
1 14 TRP 0.663 0.050 18 0 "[ . 1 . 2]"
1 17 ARG 0.451 0.042 12 0 "[ . 1 . 2]"
1 27 THR 0.047 0.021 9 0 "[ . 1 . 2]"
1 28 GLY 0.065 0.013 15 0 "[ . 1 . 2]"
1 30 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 TYR 0.067 0.010 7 0 "[ . 1 . 2]"
1 35 GLY 0.067 0.010 7 0 "[ . 1 . 2]"
1 36 THR 1.114 0.050 18 0 "[ . 1 . 2]"
1 37 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 CYS 0.113 0.012 3 0 "[ . 1 . 2]"
1 39 THR 0.111 0.021 9 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 4 CYS O 1 11 GLY H . . 2.000 1.842 1.796 1.896 . 0 0 "[ . 1 . 2]" 2
2 1 4 CYS O 1 11 GLY N . . 3.000 2.752 2.744 2.782 . 0 0 "[ . 1 . 2]" 2
3 1 2 THR O 1 13 TYR H . . 2.000 1.970 1.918 2.004 0.004 14 0 "[ . 1 . 2]" 2
4 1 2 THR O 1 13 TYR N . . 3.000 2.915 2.857 2.955 . 0 0 "[ . 1 . 2]" 2
5 1 14 TRP H 1 36 THR O . . 2.000 1.796 1.775 1.824 . 0 0 "[ . 1 . 2]" 2
6 1 14 TRP N 1 36 THR O . . 3.000 2.743 2.724 2.750 . 0 0 "[ . 1 . 2]" 2
7 1 12 ILE H 1 38 CYS O . . 2.000 1.990 1.918 2.011 0.011 10 0 "[ . 1 . 2]" 2
8 1 12 ILE N 1 38 CYS O . . 3.000 2.951 2.850 2.990 . 0 0 "[ . 1 . 2]" 2
9 1 27 THR H 1 39 THR O . . 2.000 1.951 1.797 2.021 0.021 9 0 "[ . 1 . 2]" 2
10 1 27 THR N 1 39 THR O . . 3.000 2.788 2.748 2.844 . 0 0 "[ . 1 . 2]" 2
11 1 30 CYS H 1 37 CYS O . . 2.000 1.873 1.797 1.986 . 0 0 "[ . 1 . 2]" 2
12 1 30 CYS N 1 37 CYS O . . 3.000 2.793 2.748 2.867 . 0 0 "[ . 1 . 2]" 2
13 1 32 TYR H 1 35 GLY O . . 2.000 1.971 1.883 2.010 0.010 7 0 "[ . 1 . 2]" 2
14 1 32 TYR N 1 35 GLY O . . 3.000 2.790 2.745 2.827 . 0 0 "[ . 1 . 2]" 2
15 1 14 TRP O 1 36 THR H . . 2.000 2.033 2.025 2.050 0.050 18 0 "[ . 1 . 2]" 2
16 1 14 TRP O 1 36 THR N . . 3.000 2.982 2.971 3.008 0.008 20 0 "[ . 1 . 2]" 2
17 1 17 ARG O 1 36 THR HG1 . . 2.300 2.323 2.309 2.342 0.042 12 0 "[ . 1 . 2]" 2
18 1 17 ARG O 1 36 THR OG1 . . 3.300 3.069 2.599 3.168 . 0 0 "[ . 1 . 2]" 2
19 1 30 CYS O 1 37 CYS H . . 2.000 1.884 1.813 1.982 . 0 0 "[ . 1 . 2]" 2
20 1 30 CYS O 1 37 CYS N . . 3.000 2.792 2.735 2.892 . 0 0 "[ . 1 . 2]" 2
21 1 12 ILE O 1 38 CYS H . . 2.000 1.983 1.883 2.012 0.012 3 0 "[ . 1 . 2]" 2
22 1 12 ILE O 1 38 CYS N . . 3.000 2.919 2.838 2.971 . 0 0 "[ . 1 . 2]" 2
23 1 28 GLY O 1 39 THR H . . 2.000 1.836 1.801 1.886 . 0 0 "[ . 1 . 2]" 2
24 1 28 GLY O 1 39 THR N . . 3.000 2.765 2.744 2.821 . 0 0 "[ . 1 . 2]" 2
25 1 28 GLY O 1 39 THR HG1 . . 2.300 2.280 2.114 2.313 0.013 15 0 "[ . 1 . 2]" 2
26 1 28 GLY O 1 39 THR OG1 . . 3.300 2.691 2.594 2.991 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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