Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
580884 | 2mit RC | 19693 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mit
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 1089
_Distance_constraint_stats_list.Viol_count 2057
_Distance_constraint_stats_list.Viol_total 2714.661
_Distance_constraint_stats_list.Viol_max 0.667
_Distance_constraint_stats_list.Viol_rms 0.0277
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0062
_Distance_constraint_stats_list.Viol_average_violations_only 0.0660
_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 ALA 2.267 0.152 3 0 "[ . 1 . 2]"
1 2 THR 2.010 0.168 1 0 "[ . 1 . 2]"
1 3 CYS 0.006 0.006 13 0 "[ . 1 . 2]"
1 4 TYR 3.065 0.181 19 0 "[ . 1 . 2]"
1 5 CYS 3.232 0.138 20 0 "[ . 1 . 2]"
1 6 ARG 4.418 0.399 14 0 "[ . 1 . 2]"
1 7 THR 1.157 0.205 3 0 "[ . 1 . 2]"
1 8 GLY 5.213 0.399 14 0 "[ . 1 . 2]"
1 9 ARG 6.218 0.220 9 0 "[ . 1 . 2]"
1 10 CYS 4.806 0.236 7 0 "[ . 1 . 2]"
1 12 THR 0.842 0.236 7 0 "[ . 1 . 2]"
1 13 ARG 2.546 0.162 7 0 "[ . 1 . 2]"
1 15 SER 0.172 0.064 13 0 "[ . 1 . 2]"
1 16 LEU 11.589 0.208 16 0 "[ . 1 . 2]"
1 17 SER 2.847 0.127 12 0 "[ . 1 . 2]"
1 18 GLY 8.818 0.667 8 2 "[ . + 1- . 2]"
1 19 VAL 2.362 0.118 10 0 "[ . 1 . 2]"
1 20 CYS 7.380 0.178 10 0 "[ . 1 . 2]"
1 21 GLU 3.243 0.095 13 0 "[ . 1 . 2]"
1 22 ILE 6.585 0.141 5 0 "[ . 1 . 2]"
1 23 SER 1.880 0.141 5 0 "[ . 1 . 2]"
1 24 GLY 0.033 0.016 2 0 "[ . 1 . 2]"
1 25 ARG 2.211 0.261 13 0 "[ . 1 . 2]"
1 26 LEU 8.628 0.261 13 0 "[ . 1 . 2]"
1 27 TYR 5.028 0.124 6 0 "[ . 1 . 2]"
1 28 ARG 11.948 0.208 16 0 "[ . 1 . 2]"
1 29 LEU 16.532 0.667 8 2 "[ . + 1- . 2]"
1 30 CYS 3.244 0.181 2 0 "[ . 1 . 2]"
1 31 CYS 1.037 0.064 13 0 "[ . 1 . 2]"
1 32 ARG 1.547 0.168 1 0 "[ . 1 . 2]"
2 1 ALA 2.143 0.152 13 0 "[ . 1 . 2]"
2 2 THR 2.010 0.162 8 0 "[ . 1 . 2]"
2 3 CYS 0.016 0.016 6 0 "[ . 1 . 2]"
2 4 TYR 3.166 0.124 20 0 "[ . 1 . 2]"
2 5 CYS 3.061 0.141 9 0 "[ . 1 . 2]"
2 6 ARG 3.275 0.434 14 0 "[ . 1 . 2]"
2 7 THR 1.277 0.121 9 0 "[ . 1 . 2]"
2 8 GLY 4.848 0.434 14 0 "[ . 1 . 2]"
2 9 ARG 7.010 0.250 14 0 "[ . 1 . 2]"
2 10 CYS 5.451 0.250 14 0 "[ . 1 . 2]"
2 12 THR 0.797 0.128 6 0 "[ . 1 . 2]"
2 13 ARG 2.731 0.222 9 0 "[ . 1 . 2]"
2 15 SER 0.410 0.104 7 0 "[ . 1 . 2]"
2 16 LEU 11.900 0.246 20 0 "[ . 1 . 2]"
2 17 SER 2.405 0.121 12 0 "[ . 1 . 2]"
2 18 GLY 7.163 0.566 16 1 "[ . 1 .+ 2]"
2 19 VAL 2.673 0.105 20 0 "[ . 1 . 2]"
2 20 CYS 7.094 0.185 4 0 "[ . 1 . 2]"
2 21 GLU 3.362 0.115 9 0 "[ . 1 . 2]"
2 22 ILE 6.343 0.124 4 0 "[ . 1 . 2]"
2 23 SER 1.766 0.124 4 0 "[ . 1 . 2]"
2 24 GLY 0.050 0.027 18 0 "[ . 1 . 2]"
2 25 ARG 1.831 0.107 20 0 "[ . 1 . 2]"
2 26 LEU 8.322 0.185 4 0 "[ . 1 . 2]"
2 27 TYR 5.093 0.116 2 0 "[ . 1 . 2]"
2 28 ARG 13.114 0.246 20 0 "[ . 1 . 2]"
2 29 LEU 15.290 0.566 16 1 "[ . 1 .+ 2]"
2 30 CYS 2.907 0.177 4 0 "[ . 1 . 2]"
2 31 CYS 0.970 0.104 7 0 "[ . 1 . 2]"
2 32 ARG 1.930 0.162 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 4 TYR HA 1 4 TYR QD . . 3.940 3.749 3.729 3.777 . 0 0 "[ . 1 . 2]" 1
2 1 4 TYR H 1 4 TYR QD . . 4.020 3.389 3.079 3.589 . 0 0 "[ . 1 . 2]" 1
3 1 4 TYR QD 1 5 CYS H . . 4.730 3.875 3.619 4.387 . 0 0 "[ . 1 . 2]" 1
4 1 4 TYR QE 1 6 ARG QG . . 3.590 3.387 2.390 3.771 0.181 19 0 "[ . 1 . 2]" 1
5 1 4 TYR QE 1 6 ARG HB3 . . 4.120 3.026 2.238 4.102 . 0 0 "[ . 1 . 2]" 1
6 1 4 TYR QE 1 6 ARG QD . . 5.280 3.296 1.907 4.752 . 0 0 "[ . 1 . 2]" 1
7 1 27 TYR H 1 27 TYR QD . . 3.780 2.828 2.662 3.025 . 0 0 "[ . 1 . 2]" 1
8 1 25 ARG QD 1 27 TYR QD . . 4.600 4.286 3.959 4.579 . 0 0 "[ . 1 . 2]" 1
9 1 22 ILE HB 1 27 TYR QD . . 4.060 2.493 2.231 2.711 . 0 0 "[ . 1 . 2]" 1
10 1 7 THR MG 1 27 TYR QD . . 3.840 3.071 2.748 3.812 . 0 0 "[ . 1 . 2]" 1
11 1 7 THR MG 1 27 TYR QE . . 3.530 2.580 2.232 3.300 . 0 0 "[ . 1 . 2]" 1
12 1 27 TYR QD 1 28 ARG H . . 4.810 4.072 3.711 4.330 . 0 0 "[ . 1 . 2]" 1
13 1 22 ILE HB 1 27 TYR QE . . 3.620 2.269 1.898 2.500 . 0 0 "[ . 1 . 2]" 1
14 1 25 ARG H 1 27 TYR QE . . 4.780 4.163 3.815 4.607 . 0 0 "[ . 1 . 2]" 1
15 1 22 ILE H 1 27 TYR QE . . 4.490 3.587 3.266 3.944 . 0 0 "[ . 1 . 2]" 1
16 1 6 ARG HA 1 6 ARG QG . . 3.610 3.364 3.279 3.510 . 0 0 "[ . 1 . 2]" 1
17 1 6 ARG HB2 1 6 ARG QD . . 3.760 2.456 2.267 3.277 . 0 0 "[ . 1 . 2]" 1
18 1 9 ARG HA 1 13 ARG QD . . 3.860 3.889 3.511 4.019 0.159 20 0 "[ . 1 . 2]" 1
19 1 9 ARG HA 1 9 ARG QG . . 3.280 3.326 3.308 3.344 0.064 9 0 "[ . 1 . 2]" 1
20 1 9 ARG HB2 1 9 ARG QD . . 3.540 2.440 2.276 2.868 . 0 0 "[ . 1 . 2]" 1
21 1 19 VAL HA 1 19 VAL MG1 . . 3.530 2.300 2.241 2.389 . 0 0 "[ . 1 . 2]" 1
22 1 22 ILE HB 1 22 ILE MD . . 3.370 2.356 2.320 2.407 . 0 0 "[ . 1 . 2]" 1
23 1 22 ILE HA 1 22 ILE HG12 . . 3.990 2.702 2.609 2.798 . 0 0 "[ . 1 . 2]" 1
24 1 22 ILE HA 1 22 ILE HG13 . . 3.800 3.139 3.076 3.223 . 0 0 "[ . 1 . 2]" 1
25 1 22 ILE HA 1 22 ILE MD . . 4.090 3.869 3.823 3.917 . 0 0 "[ . 1 . 2]" 1
26 1 25 ARG HA 1 25 ARG HG3 . . 3.950 2.505 2.421 2.593 . 0 0 "[ . 1 . 2]" 1
27 1 25 ARG HA 1 25 ARG QD . . 4.310 4.093 3.915 4.246 . 0 0 "[ . 1 . 2]" 1
28 1 25 ARG HB2 1 25 ARG QD . . 3.820 2.562 2.175 2.957 . 0 0 "[ . 1 . 2]" 1
29 1 25 ARG HA 1 25 ARG HG2 . . 3.480 3.010 2.524 3.156 . 0 0 "[ . 1 . 2]" 1
30 1 26 LEU HA 1 26 LEU HG . . 4.200 3.677 3.607 3.728 . 0 0 "[ . 1 . 2]" 1
31 1 26 LEU HA 1 26 LEU MD2 . . 3.620 2.465 2.292 2.584 . 0 0 "[ . 1 . 2]" 1
32 1 28 ARG HA 1 28 ARG HD2 . . 4.530 4.545 4.507 4.573 0.043 20 0 "[ . 1 . 2]" 1
33 1 28 ARG QB 1 28 ARG HD2 . . 3.180 2.221 2.153 2.271 . 0 0 "[ . 1 . 2]" 1
34 1 28 ARG HA 1 28 ARG HG2 . . 3.370 2.619 2.563 2.694 . 0 0 "[ . 1 . 2]" 1
35 1 28 ARG HA 1 28 ARG HD3 . . 4.900 4.448 4.388 4.504 . 0 0 "[ . 1 . 2]" 1
36 1 28 ARG QB 1 28 ARG HD3 . . 3.620 2.387 2.326 2.459 . 0 0 "[ . 1 . 2]" 1
37 1 3 CYS HA 1 4 TYR H . . 3.560 2.487 2.420 2.550 . 0 0 "[ . 1 . 2]" 1
38 1 3 CYS HB2 2 17 SER HB2 . . 5.070 3.132 2.531 3.465 . 0 0 "[ . 1 . 2]" 1
39 1 3 CYS H 1 3 CYS HB2 . . 4.160 2.707 2.646 2.790 . 0 0 "[ . 1 . 2]" 1
40 1 3 CYS HB3 1 4 TYR H . . 3.900 2.582 2.461 2.782 . 0 0 "[ . 1 . 2]" 1
41 1 3 CYS HB3 1 31 CYS HA . . 4.680 3.579 3.265 3.933 . 0 0 "[ . 1 . 2]" 1
42 1 3 CYS HB3 2 29 LEU MD1 . . 3.490 2.625 2.358 3.020 . 0 0 "[ . 1 . 2]" 1
43 1 3 CYS HB3 2 29 LEU HB2 . . 5.100 4.176 3.869 4.550 . 0 0 "[ . 1 . 2]" 1
44 1 4 TYR HA 1 5 CYS H . . 3.410 2.244 2.128 2.321 . 0 0 "[ . 1 . 2]" 1
45 1 4 TYR HB2 1 5 CYS H . . 3.680 2.649 2.409 3.076 . 0 0 "[ . 1 . 2]" 1
46 1 7 THR HA 1 7 THR MG . . 3.320 2.266 2.153 2.337 . 0 0 "[ . 1 . 2]" 1
47 1 7 THR MG 1 25 ARG QD . . 4.100 2.280 1.838 3.262 . 0 0 "[ . 1 . 2]" 1
48 1 7 THR H 1 7 THR MG . . 3.630 2.593 2.260 3.636 0.006 3 0 "[ . 1 . 2]" 1
49 1 7 THR HB 1 8 GLY H . . 4.570 4.198 3.486 4.377 . 0 0 "[ . 1 . 2]" 1
50 1 7 THR HA 1 27 TYR QD . . 4.800 3.841 2.978 4.327 . 0 0 "[ . 1 . 2]" 1
51 1 7 THR HA 1 28 ARG H . . 4.180 3.400 2.866 3.823 . 0 0 "[ . 1 . 2]" 1
52 1 1 ALA MB 1 2 THR H . . 3.570 3.055 2.712 3.392 . 0 0 "[ . 1 . 2]" 1
53 1 1 ALA MB 2 16 LEU HA . . 5.500 5.592 5.535 5.652 0.152 3 0 "[ . 1 . 2]" 1
54 1 1 ALA MB 2 17 SER HB2 . . 4.090 2.733 2.328 3.547 . 0 0 "[ . 1 . 2]" 1
55 1 1 ALA MB 1 2 THR HA . . 4.710 4.007 3.910 4.135 . 0 0 "[ . 1 . 2]" 1
56 1 2 THR HA 1 32 ARG H . . 4.880 4.828 4.698 5.014 0.134 19 0 "[ . 1 . 2]" 1
57 1 2 THR HA 1 32 ARG QD . . 5.410 5.453 5.297 5.578 0.168 1 0 "[ . 1 . 2]" 1
58 1 2 THR HB 1 32 ARG HG2 . . 4.810 2.313 1.849 3.416 . 0 0 "[ . 1 . 2]" 1
59 1 2 THR H 1 2 THR HB . . 3.710 2.635 2.494 2.793 . 0 0 "[ . 1 . 2]" 1
60 1 2 THR HA 1 2 THR MG . . 3.320 2.369 2.313 2.429 . 0 0 "[ . 1 . 2]" 1
61 1 2 THR MG 1 32 ARG H . . 5.250 4.150 3.911 4.544 . 0 0 "[ . 1 . 2]" 1
62 1 5 CYS H 1 5 CYS HB2 . . 3.800 2.594 2.551 2.634 . 0 0 "[ . 1 . 2]" 1
63 1 5 CYS HB3 1 6 ARG H . . 4.270 3.720 3.537 3.936 . 0 0 "[ . 1 . 2]" 1
64 1 5 CYS HB3 1 27 TYR HB3 . . 4.550 2.509 2.099 2.753 . 0 0 "[ . 1 . 2]" 1
65 1 6 ARG HB3 1 8 GLY H . . 4.160 4.126 3.961 4.304 0.144 14 0 "[ . 1 . 2]" 1
66 1 6 ARG HB3 1 6 ARG QD . . 3.580 2.699 2.348 3.357 . 0 0 "[ . 1 . 2]" 1
67 1 6 ARG H 1 6 ARG QD . . 5.050 3.798 1.717 4.497 . 0 0 "[ . 1 . 2]" 1
68 1 6 ARG HA 1 8 GLY H . . 4.380 3.857 3.578 4.164 . 0 0 "[ . 1 . 2]" 1
69 1 8 GLY HA2 1 9 ARG QG . . 4.770 4.694 4.209 4.990 0.220 9 0 "[ . 1 . 2]" 1
70 1 6 ARG HB2 1 8 GLY HA2 . . 5.280 5.164 4.790 5.679 0.399 14 0 "[ . 1 . 2]" 1
71 1 8 GLY HA3 1 9 ARG QG . . 4.990 3.699 3.410 3.878 . 0 0 "[ . 1 . 2]" 1
72 1 8 GLY HA3 1 9 ARG H . . 3.310 2.137 2.053 2.269 . 0 0 "[ . 1 . 2]" 1
73 1 9 ARG HB3 1 9 ARG QD . . 3.140 2.509 2.312 2.983 . 0 0 "[ . 1 . 2]" 1
74 1 9 ARG HB3 1 9 ARG QG . . 2.400 2.329 2.277 2.365 . 0 0 "[ . 1 . 2]" 1
75 1 8 GLY HA3 1 9 ARG HA . . 4.730 4.316 4.224 4.397 . 0 0 "[ . 1 . 2]" 1
76 1 9 ARG HA 1 10 CYS HB3 . . 4.840 4.607 4.398 4.814 . 0 0 "[ . 1 . 2]" 1
77 1 9 ARG HA 1 28 ARG HH11 . . 4.960 4.920 4.509 5.028 0.068 11 0 "[ . 1 . 2]" 1
78 1 9 ARG HA 1 10 CYS H . . 3.010 2.570 2.395 2.704 . 0 0 "[ . 1 . 2]" 1
79 1 9 ARG H 1 9 ARG HB2 . . 3.740 3.701 3.627 3.785 0.045 4 0 "[ . 1 . 2]" 1
80 1 6 ARG H 1 28 ARG QB . . 3.740 3.730 3.609 3.780 0.040 18 0 "[ . 1 . 2]" 1
81 1 9 ARG HB3 1 10 CYS H . . 3.690 3.690 3.570 3.761 0.071 7 0 "[ . 1 . 2]" 1
82 1 9 ARG H 1 9 ARG QG . . 3.570 2.051 1.856 2.202 . 0 0 "[ . 1 . 2]" 1
83 1 9 ARG QG 1 10 CYS H . . 4.230 3.397 3.115 3.771 . 0 0 "[ . 1 . 2]" 1
84 1 17 SER HA 2 3 CYS H . . 5.220 3.894 3.665 4.173 . 0 0 "[ . 1 . 2]" 1
85 1 17 SER HB2 1 18 GLY H . . 5.420 3.997 3.102 4.201 . 0 0 "[ . 1 . 2]" 1
86 1 17 SER H 1 17 SER HB3 . . 4.080 3.056 2.930 3.621 . 0 0 "[ . 1 . 2]" 1
87 1 17 SER HB3 2 3 CYS H . . 5.240 3.979 2.713 4.456 . 0 0 "[ . 1 . 2]" 1
88 1 17 SER HB3 2 1 ALA MB . . 4.820 2.120 1.928 2.422 . 0 0 "[ . 1 . 2]" 1
89 1 16 LEU HB3 1 17 SER H . . 4.740 4.215 4.155 4.309 . 0 0 "[ . 1 . 2]" 1
90 1 16 LEU HB3 1 16 LEU MD1 . . 3.080 2.326 2.289 2.362 . 0 0 "[ . 1 . 2]" 1
91 1 16 LEU HA 1 16 LEU HG . . 3.390 2.837 2.717 2.907 . 0 0 "[ . 1 . 2]" 1
92 1 16 LEU HG 1 28 ARG HA . . 3.900 3.664 3.389 3.890 . 0 0 "[ . 1 . 2]" 1
93 1 16 LEU HB3 1 16 LEU HG . . 2.980 3.055 3.037 3.072 0.092 16 0 "[ . 1 . 2]" 1
94 1 16 LEU HA 1 16 LEU MD1 . . 4.640 3.896 3.861 3.926 . 0 0 "[ . 1 . 2]" 1
95 1 16 LEU MD1 1 28 ARG HD3 . . 4.580 2.211 2.016 2.518 . 0 0 "[ . 1 . 2]" 1
96 1 16 LEU HB2 1 16 LEU MD1 . . 3.250 2.260 2.215 2.301 . 0 0 "[ . 1 . 2]" 1
97 1 16 LEU MD1 1 18 GLY H . . 4.710 4.627 4.487 4.729 0.019 8 0 "[ . 1 . 2]" 1
98 1 16 LEU MD1 1 17 SER H . . 4.820 4.845 4.782 4.889 0.069 3 0 "[ . 1 . 2]" 1
99 1 16 LEU HG 1 28 ARG HE . . 4.840 4.323 4.043 4.712 . 0 0 "[ . 1 . 2]" 1
100 1 16 LEU HG 1 29 LEU H . . 3.700 3.296 3.093 3.412 . 0 0 "[ . 1 . 2]" 1
101 1 16 LEU HG 1 17 SER H . . 3.650 3.746 3.696 3.777 0.127 12 0 "[ . 1 . 2]" 1
102 1 18 GLY HA2 1 19 VAL H . . 3.540 2.358 2.313 2.400 . 0 0 "[ . 1 . 2]" 1
103 1 18 GLY HA3 2 3 CYS H . . 3.720 3.406 3.174 3.717 . 0 0 "[ . 1 . 2]" 1
104 1 18 GLY HA3 1 29 LEU MD1 . . 4.250 2.295 2.122 2.646 . 0 0 "[ . 1 . 2]" 1
105 1 19 VAL HA 1 28 ARG HA . . 3.560 2.359 2.268 2.442 . 0 0 "[ . 1 . 2]" 1
106 1 19 VAL HA 1 27 TYR HB2 . . 5.290 4.946 4.806 5.029 . 0 0 "[ . 1 . 2]" 1
107 1 19 VAL HA 1 28 ARG QB . . 4.670 4.429 4.336 4.494 . 0 0 "[ . 1 . 2]" 1
108 1 19 VAL HA 1 29 LEU HB2 . . 4.680 4.621 4.401 4.704 0.024 1 0 "[ . 1 . 2]" 1
109 1 19 VAL HA 1 29 LEU MD2 . . 4.380 4.111 3.980 4.233 . 0 0 "[ . 1 . 2]" 1
110 1 19 VAL HA 1 20 CYS H . . 3.050 2.157 2.108 2.241 . 0 0 "[ . 1 . 2]" 1
111 1 19 VAL H 1 19 VAL MG1 . . 3.770 3.269 3.125 3.350 . 0 0 "[ . 1 . 2]" 1
112 1 19 VAL HB 1 20 CYS H . . 3.630 2.593 2.405 2.777 . 0 0 "[ . 1 . 2]" 1
113 1 19 VAL HB 1 28 ARG HA . . 5.360 3.903 3.579 4.031 . 0 0 "[ . 1 . 2]" 1
114 1 19 VAL HB 1 26 LEU HG . . 4.720 4.170 4.000 4.424 . 0 0 "[ . 1 . 2]" 1
115 1 19 VAL MG2 1 20 CYS H . . 4.230 3.749 3.444 3.953 . 0 0 "[ . 1 . 2]" 1
116 1 19 VAL MG2 1 28 ARG HA . . 4.580 4.614 4.556 4.647 0.067 12 0 "[ . 1 . 2]" 1
117 1 19 VAL H 1 19 VAL MG2 . . 3.550 2.341 2.270 2.389 . 0 0 "[ . 1 . 2]" 1
118 1 20 CYS HB3 1 21 GLU H . . 4.520 4.161 4.024 4.289 . 0 0 "[ . 1 . 2]" 1
119 1 20 CYS H 1 20 CYS HB3 . . 4.060 3.613 3.531 3.694 . 0 0 "[ . 1 . 2]" 1
120 1 20 CYS HB2 1 22 ILE MD . . 3.630 2.470 2.224 2.669 . 0 0 "[ . 1 . 2]" 1
121 1 20 CYS H 1 20 CYS HB2 . . 3.830 3.795 3.712 3.832 0.002 19 0 "[ . 1 . 2]" 1
122 1 20 CYS HA 1 21 GLU H . . 3.200 2.118 2.041 2.177 . 0 0 "[ . 1 . 2]" 1
123 1 20 CYS HB2 1 22 ILE HG12 . . 4.670 3.084 3.037 3.145 . 0 0 "[ . 1 . 2]" 1
124 1 20 CYS HB3 1 22 ILE HG12 . . 4.730 4.764 4.733 4.783 0.053 8 0 "[ . 1 . 2]" 1
125 1 20 CYS HB2 1 22 ILE HG13 . . 4.050 2.690 2.519 2.858 . 0 0 "[ . 1 . 2]" 1
126 1 20 CYS HB3 1 22 ILE HG13 . . 5.150 4.440 4.257 4.598 . 0 0 "[ . 1 . 2]" 1
127 1 20 CYS HB3 1 22 ILE MD . . 4.050 3.717 3.490 3.971 . 0 0 "[ . 1 . 2]" 1
128 1 22 ILE H 1 22 ILE MD . . 4.450 3.981 3.813 4.100 . 0 0 "[ . 1 . 2]" 1
129 1 22 ILE HG13 1 23 SER H . . 5.320 5.044 4.964 5.091 . 0 0 "[ . 1 . 2]" 1
130 1 22 ILE H 1 22 ILE HB . . 3.860 2.849 2.730 2.961 . 0 0 "[ . 1 . 2]" 1
131 1 22 ILE HB 1 23 SER H . . 4.380 4.042 3.930 4.165 . 0 0 "[ . 1 . 2]" 1
132 1 22 ILE MD 1 22 ILE MG . . 2.900 1.952 1.921 2.001 . 0 0 "[ . 1 . 2]" 1
133 1 22 ILE MD 2 27 TYR QD . . 3.810 2.930 2.861 3.067 . 0 0 "[ . 1 . 2]" 1
134 1 22 ILE HG13 1 27 TYR QD . . 4.830 2.598 2.286 2.798 . 0 0 "[ . 1 . 2]" 1
135 1 22 ILE HG12 1 27 TYR QD . . 4.750 4.163 3.936 4.336 . 0 0 "[ . 1 . 2]" 1
136 1 22 ILE HG12 1 22 ILE MG . . 3.310 2.393 2.322 2.461 . 0 0 "[ . 1 . 2]" 1
137 1 22 ILE HG13 1 22 ILE MG . . 3.240 3.203 3.188 3.217 . 0 0 "[ . 1 . 2]" 1
138 1 22 ILE HA 1 22 ILE MG . . 3.150 2.308 2.263 2.361 . 0 0 "[ . 1 . 2]" 1
139 1 20 CYS HB2 1 22 ILE MG . . 5.040 4.882 4.751 5.005 . 0 0 "[ . 1 . 2]" 1
140 1 22 ILE MG 2 25 ARG QD . . 4.920 4.013 3.534 4.542 . 0 0 "[ . 1 . 2]" 1
141 1 22 ILE MG 2 27 TYR QD . . 4.130 3.792 3.564 4.058 . 0 0 "[ . 1 . 2]" 1
142 1 22 ILE MG 1 25 ARG H . . 5.120 4.863 4.685 4.994 . 0 0 "[ . 1 . 2]" 1
143 1 21 GLU HA 1 26 LEU MD2 . . 4.300 3.261 2.996 3.470 . 0 0 "[ . 1 . 2]" 1
144 1 21 GLU HG2 1 24 GLY H . . 4.670 3.493 3.055 3.802 . 0 0 "[ . 1 . 2]" 1
145 1 21 GLU HA 1 27 TYR QD . . 5.010 3.312 3.120 3.550 . 0 0 "[ . 1 . 2]" 1
146 1 21 GLU HA 1 22 ILE H . . 3.110 1.999 1.937 2.048 . 0 0 "[ . 1 . 2]" 1
147 1 22 ILE MG 1 23 SER HA . . 4.710 4.046 3.910 4.243 . 0 0 "[ . 1 . 2]" 1
148 1 23 SER HB2 1 24 GLY H . . 5.270 4.534 4.491 4.564 . 0 0 "[ . 1 . 2]" 1
149 1 23 SER H 1 23 SER HB3 . . 4.050 3.102 3.039 3.154 . 0 0 "[ . 1 . 2]" 1
150 1 22 ILE MG 1 23 SER HB2 . . 4.420 4.374 4.226 4.439 0.019 16 0 "[ . 1 . 2]" 1
151 1 22 ILE MG 1 23 SER HB3 . . 3.610 3.057 2.929 3.230 . 0 0 "[ . 1 . 2]" 1
152 1 25 ARG HB2 1 26 LEU H . . 4.530 4.293 3.920 4.443 . 0 0 "[ . 1 . 2]" 1
153 1 25 ARG HA 1 26 LEU H . . 2.890 2.282 1.998 2.349 . 0 0 "[ . 1 . 2]" 1
154 1 25 ARG HB3 1 26 LEU H . . 4.320 3.921 2.766 4.120 . 0 0 "[ . 1 . 2]" 1
155 1 25 ARG HB3 1 25 ARG HG2 . . 2.450 2.407 2.267 2.447 . 0 0 "[ . 1 . 2]" 1
156 1 25 ARG QD 1 26 LEU H . . 4.950 4.723 4.373 4.974 0.024 3 0 "[ . 1 . 2]" 1
157 1 21 GLU HA 1 26 LEU QB . . 4.830 4.355 4.215 4.470 . 0 0 "[ . 1 . 2]" 1
158 1 26 LEU H 1 26 LEU QB . . 3.130 2.262 2.223 2.359 . 0 0 "[ . 1 . 2]" 1
159 1 26 LEU HA 1 27 TYR H . . 3.150 2.129 2.078 2.160 . 0 0 "[ . 1 . 2]" 1
160 1 22 ILE H 1 26 LEU HA . . 4.380 3.403 3.312 3.474 . 0 0 "[ . 1 . 2]" 1
161 1 26 LEU HA 1 27 TYR QD . . 4.670 3.912 3.698 4.104 . 0 0 "[ . 1 . 2]" 1
162 1 26 LEU H 1 26 LEU HG . . 4.660 4.704 4.683 4.762 0.102 13 0 "[ . 1 . 2]" 1
163 1 26 LEU HG 1 27 TYR H . . 4.800 4.701 4.529 4.817 0.017 1 0 "[ . 1 . 2]" 1
164 1 26 LEU HA 1 26 LEU MD1 . . 4.080 2.106 2.006 2.197 . 0 0 "[ . 1 . 2]" 1
165 1 21 GLU HA 1 26 LEU MD1 . . 4.550 2.846 2.641 3.074 . 0 0 "[ . 1 . 2]" 1
166 1 26 LEU H 1 26 LEU MD1 . . 4.840 4.242 4.211 4.282 . 0 0 "[ . 1 . 2]" 1
167 1 20 CYS H 1 26 LEU MD1 . . 5.060 2.730 2.700 2.757 . 0 0 "[ . 1 . 2]" 1
168 1 26 LEU MD1 1 27 TYR H . . 4.660 2.259 2.082 2.400 . 0 0 "[ . 1 . 2]" 1
169 1 21 GLU HB3 1 26 LEU MD1 . . 4.030 4.101 4.065 4.125 0.095 13 0 "[ . 1 . 2]" 1
170 1 19 VAL HB 1 26 LEU MD1 . . 4.170 1.909 1.834 2.033 . 0 0 "[ . 1 . 2]" 1
171 1 26 LEU QB 1 26 LEU MD1 . . 3.170 2.468 2.383 2.516 . 0 0 "[ . 1 . 2]" 1
172 1 27 TYR HA 1 27 TYR QD . . 4.100 2.830 2.764 2.965 . 0 0 "[ . 1 . 2]" 1
173 1 27 TYR HA 1 28 ARG H . . 3.120 2.052 1.979 2.105 . 0 0 "[ . 1 . 2]" 1
174 1 7 THR MG 1 27 TYR HA . . 4.780 3.469 2.614 4.009 . 0 0 "[ . 1 . 2]" 1
175 1 22 ILE HG13 1 27 TYR HB2 . . 4.940 3.316 3.237 3.404 . 0 0 "[ . 1 . 2]" 1
176 1 22 ILE MD 1 27 TYR HB2 . . 4.760 3.136 2.962 3.419 . 0 0 "[ . 1 . 2]" 1
177 1 20 CYS H 1 27 TYR HB2 . . 4.510 3.270 3.135 3.394 . 0 0 "[ . 1 . 2]" 1
178 1 6 ARG H 1 27 TYR HB3 . . 4.820 4.232 3.775 4.570 . 0 0 "[ . 1 . 2]" 1
179 1 27 TYR HB3 1 28 ARG H . . 4.170 3.659 3.353 3.844 . 0 0 "[ . 1 . 2]" 1
180 1 22 ILE HG13 1 27 TYR HB3 . . 4.770 4.796 4.772 4.817 0.047 16 0 "[ . 1 . 2]" 1
181 1 22 ILE MD 1 27 TYR HB3 . . 4.710 3.772 3.607 3.986 . 0 0 "[ . 1 . 2]" 1
182 1 5 CYS HB2 1 27 TYR HB3 . . 4.390 4.169 3.720 4.401 0.011 10 0 "[ . 1 . 2]" 1
183 1 28 ARG HG2 1 29 LEU H . . 5.010 3.921 3.782 4.111 . 0 0 "[ . 1 . 2]" 1
184 1 28 ARG H 1 28 ARG HG2 . . 4.170 4.099 3.928 4.201 0.031 9 0 "[ . 1 . 2]" 1
185 1 28 ARG HA 1 28 ARG HG3 . . 3.820 2.795 2.702 2.891 . 0 0 "[ . 1 . 2]" 1
186 1 16 LEU MD1 1 28 ARG HG2 . . 4.540 2.204 2.044 2.371 . 0 0 "[ . 1 . 2]" 1
187 1 16 LEU HG 1 28 ARG HG2 . . 4.120 2.685 2.598 2.818 . 0 0 "[ . 1 . 2]" 1
188 1 16 LEU MD1 1 28 ARG HG3 . . 4.400 3.616 3.479 3.737 . 0 0 "[ . 1 . 2]" 1
189 1 28 ARG HG3 1 29 LEU H . . 5.040 4.667 4.598 4.781 . 0 0 "[ . 1 . 2]" 1
190 1 28 ARG H 1 28 ARG HG3 . . 4.200 2.926 2.672 3.071 . 0 0 "[ . 1 . 2]" 1
191 1 28 ARG H 1 28 ARG HD2 . . 4.860 3.968 3.802 4.107 . 0 0 "[ . 1 . 2]" 1
192 1 28 ARG HA 1 29 LEU HG . . 4.700 3.504 3.451 3.633 . 0 0 "[ . 1 . 2]" 1
193 1 16 LEU HG 1 28 ARG QB . . 3.010 2.269 1.986 2.506 . 0 0 "[ . 1 . 2]" 1
194 1 16 LEU MD1 1 28 ARG QB . . 4.760 3.119 2.786 3.391 . 0 0 "[ . 1 . 2]" 1
195 1 16 LEU HG 1 28 ARG HD3 . . 3.820 3.077 2.914 3.288 . 0 0 "[ . 1 . 2]" 1
196 1 29 LEU HA 1 30 CYS H . . 3.210 2.151 2.087 2.202 . 0 0 "[ . 1 . 2]" 1
197 1 5 CYS HA 1 29 LEU HA . . 4.230 3.090 2.868 3.309 . 0 0 "[ . 1 . 2]" 1
198 1 29 LEU H 1 29 LEU HG . . 3.800 2.576 2.483 2.742 . 0 0 "[ . 1 . 2]" 1
199 1 19 VAL HA 1 29 LEU HG . . 4.120 3.012 2.840 3.140 . 0 0 "[ . 1 . 2]" 1
200 1 29 LEU MD2 2 5 CYS H . . 4.400 4.284 4.044 4.424 0.024 5 0 "[ . 1 . 2]" 1
201 1 29 LEU MD1 2 5 CYS H . . 4.310 2.707 2.344 2.890 . 0 0 "[ . 1 . 2]" 1
202 1 29 LEU MD1 2 4 TYR H . . 4.610 2.933 2.813 3.099 . 0 0 "[ . 1 . 2]" 1
203 1 19 VAL HA 1 29 LEU MD1 . . 4.770 4.080 3.828 4.170 . 0 0 "[ . 1 . 2]" 1
204 1 29 LEU MD1 2 3 CYS HA . . 4.930 4.037 3.853 4.188 . 0 0 "[ . 1 . 2]" 1
205 1 29 LEU MD1 2 4 TYR HA . . 4.020 2.167 1.963 2.322 . 0 0 "[ . 1 . 2]" 1
206 1 29 LEU HB2 1 29 LEU MD1 . . 3.380 2.391 2.350 2.419 . 0 0 "[ . 1 . 2]" 1
207 1 29 LEU MD1 2 5 CYS HB3 . . 3.940 4.053 4.013 4.081 0.141 9 0 "[ . 1 . 2]" 1
208 1 18 GLY HA2 1 29 LEU HB2 . . 4.770 4.242 4.058 4.508 . 0 0 "[ . 1 . 2]" 1
209 1 18 GLY HA3 1 29 LEU HB2 . . 4.810 2.956 2.693 3.329 . 0 0 "[ . 1 . 2]" 1
210 1 17 SER HB3 1 29 LEU HB2 . . 5.090 4.954 4.456 5.131 0.041 12 0 "[ . 1 . 2]" 1
211 1 18 GLY H 1 29 LEU HB2 . . 4.050 2.626 2.352 2.802 . 0 0 "[ . 1 . 2]" 1
212 1 29 LEU HB2 1 30 CYS H . . 4.930 4.216 4.079 4.346 . 0 0 "[ . 1 . 2]" 1
213 1 17 SER H 1 29 LEU HB2 . . 4.250 3.271 3.064 3.528 . 0 0 "[ . 1 . 2]" 1
214 1 29 LEU HA 1 29 LEU MD1 . . 4.110 3.850 3.815 3.871 . 0 0 "[ . 1 . 2]" 1
215 1 29 LEU HB2 1 29 LEU MD2 . . 3.280 3.191 3.183 3.200 . 0 0 "[ . 1 . 2]" 1
216 1 16 LEU HA 1 30 CYS HA . . 4.020 2.938 2.215 3.272 . 0 0 "[ . 1 . 2]" 1
217 1 17 SER HB3 1 30 CYS HA . . 5.220 4.183 3.823 4.964 . 0 0 "[ . 1 . 2]" 1
218 1 30 CYS HA 1 31 CYS H . . 3.380 2.209 2.032 2.319 . 0 0 "[ . 1 . 2]" 1
219 1 3 CYS HB2 1 31 CYS HA . . 5.190 4.698 4.526 4.975 . 0 0 "[ . 1 . 2]" 1
220 1 3 CYS HA 1 31 CYS HA . . 3.400 2.053 1.968 2.317 . 0 0 "[ . 1 . 2]" 1
221 1 4 TYR H 1 31 CYS HA . . 4.190 3.708 3.482 3.957 . 0 0 "[ . 1 . 2]" 1
222 1 31 CYS HB2 1 32 ARG H . . 4.480 4.031 3.906 4.193 . 0 0 "[ . 1 . 2]" 1
223 1 31 CYS HB3 1 32 ARG H . . 4.330 3.622 3.407 3.798 . 0 0 "[ . 1 . 2]" 1
224 1 10 CYS H 1 13 ARG HA . . 3.910 3.438 2.611 3.949 0.039 18 0 "[ . 1 . 2]" 1
225 1 9 ARG H 1 9 ARG QD . . 4.510 4.020 3.826 4.289 . 0 0 "[ . 1 . 2]" 1
226 1 21 GLU H 1 21 GLU HB3 . . 3.780 2.487 2.393 2.560 . 0 0 "[ . 1 . 2]" 1
227 1 2 THR HB 1 32 ARG QB . . 4.540 3.901 2.030 4.170 . 0 0 "[ . 1 . 2]" 1
228 1 32 ARG QB 1 32 ARG HG2 . . 2.770 2.358 2.324 2.385 . 0 0 "[ . 1 . 2]" 1
229 1 32 ARG HA 1 32 ARG HG2 . . 3.860 3.717 3.186 3.785 . 0 0 "[ . 1 . 2]" 1
230 1 32 ARG H 1 32 ARG HG2 . . 4.280 2.313 2.086 4.234 . 0 0 "[ . 1 . 2]" 1
231 1 21 GLU HB2 1 26 LEU HA . . 4.620 3.031 2.716 3.345 . 0 0 "[ . 1 . 2]" 1
232 1 21 GLU HG2 1 26 LEU HA . . 4.910 3.142 2.735 4.127 . 0 0 "[ . 1 . 2]" 1
233 1 21 GLU HB3 1 26 LEU HA . . 4.880 4.403 4.169 4.730 . 0 0 "[ . 1 . 2]" 1
234 1 28 ARG HA 1 29 LEU MD2 . . 4.560 3.932 3.835 4.047 . 0 0 "[ . 1 . 2]" 1
235 1 13 ARG HA 1 13 ARG QG . . 3.590 2.626 2.362 3.118 . 0 0 "[ . 1 . 2]" 1
236 1 10 CYS H 1 13 ARG QB . . 5.020 4.528 2.039 5.182 0.162 7 0 "[ . 1 . 2]" 1
237 1 10 CYS H 1 13 ARG QG . . 4.620 3.802 2.402 4.677 0.057 11 0 "[ . 1 . 2]" 1
238 1 9 ARG HA 1 28 ARG HD3 . . 4.350 4.199 3.544 4.418 0.068 9 0 "[ . 1 . 2]" 1
239 1 9 ARG HA 1 28 ARG HD2 . . 3.800 3.852 3.426 3.926 0.126 19 0 "[ . 1 . 2]" 1
240 1 13 ARG QB 1 13 ARG QD . . 3.390 2.540 2.118 2.871 . 0 0 "[ . 1 . 2]" 1
241 1 13 ARG HA 1 13 ARG QD . . 3.750 2.540 1.989 3.879 0.129 17 0 "[ . 1 . 2]" 1
242 1 10 CYS H 1 10 CYS HB3 . . 3.550 3.442 3.280 3.511 . 0 0 "[ . 1 . 2]" 1
243 1 10 CYS H 1 10 CYS HB2 . . 4.050 3.816 3.675 3.938 . 0 0 "[ . 1 . 2]" 1
244 1 6 ARG HA 1 7 THR MG . . 4.780 3.544 3.044 4.985 0.205 3 0 "[ . 1 . 2]" 1
245 1 28 ARG QB 1 28 ARG HE . . 4.270 3.984 3.915 4.046 . 0 0 "[ . 1 . 2]" 1
246 1 32 ARG QB 1 32 ARG QD . . 3.420 2.285 2.068 2.419 . 0 0 "[ . 1 . 2]" 1
247 1 32 ARG HA 1 32 ARG QD . . 4.610 4.444 4.045 4.602 . 0 0 "[ . 1 . 2]" 1
248 1 21 GLU HG2 1 24 GLY HA3 . . 5.500 4.968 4.563 5.256 . 0 0 "[ . 1 . 2]" 1
249 1 21 GLU HG3 1 26 LEU HA . . 5.500 3.632 2.271 4.310 . 0 0 "[ . 1 . 2]" 1
250 1 21 GLU HG3 1 26 LEU MD1 . . 4.360 4.217 3.633 4.405 0.045 9 0 "[ . 1 . 2]" 1
251 1 10 CYS HB2 1 30 CYS HB2 . . 4.830 4.698 4.507 4.886 0.056 20 0 "[ . 1 . 2]" 1
252 1 10 CYS HB2 1 30 CYS HB3 . . 5.490 5.213 5.037 5.431 . 0 0 "[ . 1 . 2]" 1
253 1 10 CYS HB3 1 30 CYS HB3 . . 5.500 4.722 4.290 4.925 . 0 0 "[ . 1 . 2]" 1
254 1 19 VAL MG1 1 28 ARG HD3 . . 4.730 4.102 3.995 4.231 . 0 0 "[ . 1 . 2]" 1
255 1 19 VAL MG1 1 28 ARG HD2 . . 5.280 4.541 4.438 4.686 . 0 0 "[ . 1 . 2]" 1
256 1 17 SER HB3 2 3 CYS HB2 . . 5.220 4.380 3.331 4.678 . 0 0 "[ . 1 . 2]" 1
257 1 5 CYS HA 1 27 TYR HB3 . . 5.400 3.722 3.425 3.929 . 0 0 "[ . 1 . 2]" 1
258 1 5 CYS HA 1 28 ARG QB . . 5.200 5.174 5.033 5.227 0.027 18 0 "[ . 1 . 2]" 1
259 1 25 ARG HB3 1 25 ARG HE . . 4.530 3.966 2.967 4.533 0.003 14 0 "[ . 1 . 2]" 1
260 1 25 ARG HB2 1 25 ARG HE . . 4.930 3.289 1.926 4.418 . 0 0 "[ . 1 . 2]" 1
261 1 29 LEU HB3 1 29 LEU MD2 . . 2.400 2.410 2.392 2.425 0.025 9 0 "[ . 1 . 2]" 1
262 1 29 LEU HB3 1 29 LEU MD1 . . 2.860 2.343 2.318 2.364 . 0 0 "[ . 1 . 2]" 1
263 1 29 LEU HB3 2 3 CYS HB2 . . 5.160 2.862 2.499 3.226 . 0 0 "[ . 1 . 2]" 1
264 1 29 LEU HB3 2 3 CYS HB3 . . 5.190 3.535 3.092 4.040 . 0 0 "[ . 1 . 2]" 1
265 1 29 LEU HB3 1 30 CYS H . . 4.260 3.545 3.256 3.801 . 0 0 "[ . 1 . 2]" 1
266 1 16 LEU HG 1 30 CYS HA . . 5.420 5.247 4.506 5.483 0.063 9 0 "[ . 1 . 2]" 1
267 1 2 THR H 1 2 THR MG . . 4.160 3.847 3.796 3.915 . 0 0 "[ . 1 . 2]" 1
268 1 17 SER HB3 1 18 GLY H . . 4.800 4.286 4.131 4.383 . 0 0 "[ . 1 . 2]" 1
269 1 16 LEU HB2 1 17 SER H . . 5.100 4.300 4.248 4.371 . 0 0 "[ . 1 . 2]" 1
270 1 29 LEU MD2 2 4 TYR H . . 4.930 5.032 4.997 5.054 0.124 20 0 "[ . 1 . 2]" 1
271 1 15 SER QB 1 31 CYS H . . 4.870 3.368 2.457 4.076 . 0 0 "[ . 1 . 2]" 1
272 1 1 ALA MB 2 31 CYS HB3 . . 4.000 3.265 2.712 4.017 0.017 6 0 "[ . 1 . 2]" 1
273 1 16 LEU HA 1 16 LEU MD2 . . 4.320 3.004 2.884 3.123 . 0 0 "[ . 1 . 2]" 1
274 1 6 ARG QG 1 30 CYS HB3 . . 4.550 4.214 3.652 4.635 0.085 11 0 "[ . 1 . 2]" 1
275 1 16 LEU HB2 1 16 LEU MD2 . . 3.470 3.204 3.180 3.227 . 0 0 "[ . 1 . 2]" 1
276 1 16 LEU HB3 1 16 LEU MD2 . . 2.460 2.372 2.276 2.455 . 0 0 "[ . 1 . 2]" 1
277 1 5 CYS HA 1 29 LEU MD2 . . 3.490 2.155 2.009 2.344 . 0 0 "[ . 1 . 2]" 1
278 1 29 LEU HA 1 29 LEU MD2 . . 3.070 2.124 2.045 2.169 . 0 0 "[ . 1 . 2]" 1
279 1 27 TYR HB3 1 29 LEU MD2 . . 4.070 3.347 3.117 3.588 . 0 0 "[ . 1 . 2]" 1
280 1 6 ARG H 1 29 LEU MD2 . . 4.100 3.386 3.232 3.634 . 0 0 "[ . 1 . 2]" 1
281 1 5 CYS HB2 1 27 TYR QD . . 4.560 3.206 2.883 3.542 . 0 0 "[ . 1 . 2]" 1
282 1 5 CYS HB3 1 27 TYR QD . . 4.460 2.546 2.165 2.874 . 0 0 "[ . 1 . 2]" 1
283 1 6 ARG HA 1 27 TYR QD . . 4.810 3.775 2.927 4.432 . 0 0 "[ . 1 . 2]" 1
284 1 3 CYS HA 1 31 CYS HB2 . . 5.160 3.263 2.980 3.542 . 0 0 "[ . 1 . 2]" 1
285 1 3 CYS HA 1 31 CYS HB3 . . 4.780 4.329 4.151 4.455 . 0 0 "[ . 1 . 2]" 1
286 1 29 LEU HB2 2 3 CYS HB2 . . 5.030 2.765 2.406 3.190 . 0 0 "[ . 1 . 2]" 1
287 1 18 GLY HA2 1 29 LEU MD1 . . 3.860 3.880 3.739 4.148 0.288 8 0 "[ . 1 . 2]" 1
288 1 6 ARG H 1 29 LEU HA . . 4.790 3.436 3.148 3.843 . 0 0 "[ . 1 . 2]" 1
289 1 16 LEU HG 1 28 ARG HD2 . . 4.360 4.451 4.388 4.509 0.149 17 0 "[ . 1 . 2]" 1
290 1 2 THR MG 1 4 TYR QD . . 4.850 2.891 2.614 3.131 . 0 0 "[ . 1 . 2]" 1
291 1 2 THR MG 1 4 TYR QE . . 3.900 3.872 3.412 3.974 0.074 14 0 "[ . 1 . 2]" 1
292 1 3 CYS HA 1 4 TYR QD . . 4.480 3.499 3.072 3.910 . 0 0 "[ . 1 . 2]" 1
293 1 4 TYR QE 1 32 ARG QB . . 4.500 4.108 3.378 4.526 0.026 3 0 "[ . 1 . 2]" 1
294 1 18 GLY HA2 1 29 LEU HB3 . . 5.500 5.882 5.706 6.167 0.667 8 2 "[ . + 1- . 2]" 1
295 1 29 LEU MD2 2 4 TYR HA . . 5.200 4.439 4.217 4.607 . 0 0 "[ . 1 . 2]" 1
296 1 25 ARG HB2 1 27 TYR QE . . 4.120 3.923 2.348 4.149 0.029 3 0 "[ . 1 . 2]" 1
297 1 25 ARG HB3 1 27 TYR QE . . 4.370 2.622 2.303 3.498 . 0 0 "[ . 1 . 2]" 1
298 1 25 ARG QD 1 27 TYR QE . . 4.360 2.873 2.554 3.070 . 0 0 "[ . 1 . 2]" 1
299 1 16 LEU MD2 1 18 GLY H . . 3.770 1.969 1.827 2.090 . 0 0 "[ . 1 . 2]" 1
300 1 16 LEU HG 1 28 ARG HG3 . . 4.090 4.260 4.210 4.298 0.208 16 0 "[ . 1 . 2]" 1
301 1 28 ARG QB 1 28 ARG HG2 . . 2.600 2.237 2.201 2.271 . 0 0 "[ . 1 . 2]" 1
302 1 10 CYS H 1 12 THR MG . . 4.480 4.367 4.038 4.716 0.236 7 0 "[ . 1 . 2]" 1
303 1 16 LEU MD1 1 28 ARG HD2 . . 4.780 3.624 3.415 3.884 . 0 0 "[ . 1 . 2]" 1
304 1 19 VAL MG1 1 28 ARG HA . . 3.640 2.204 2.073 2.305 . 0 0 "[ . 1 . 2]" 1
305 1 19 VAL MG1 1 27 TYR H . . 4.860 4.857 4.748 4.904 0.044 1 0 "[ . 1 . 2]" 1
306 1 20 CYS HB2 1 27 TYR HB3 . . 4.780 4.882 4.856 4.900 0.120 8 0 "[ . 1 . 2]" 1
307 1 21 GLU HA 1 26 LEU HA . . 3.590 2.182 2.036 2.328 . 0 0 "[ . 1 . 2]" 1
308 1 22 ILE HG13 1 27 TYR QE . . 5.080 4.198 3.745 4.418 . 0 0 "[ . 1 . 2]" 1
309 1 26 LEU MD1 1 28 ARG HH11 . . 4.390 4.453 4.393 4.496 0.106 11 0 "[ . 1 . 2]" 1
310 1 4 TYR QE 1 32 ARG QD . . 4.500 3.278 1.969 4.508 0.008 13 0 "[ . 1 . 2]" 1
311 1 21 GLU H 1 21 GLU HG3 . . 5.000 4.744 4.573 4.829 . 0 0 "[ . 1 . 2]" 1
312 1 20 CYS HB3 2 27 TYR QD . . 5.500 5.095 4.696 5.449 . 0 0 "[ . 1 . 2]" 1
313 1 10 CYS HB3 1 30 CYS HB2 . . 4.650 4.781 4.715 4.831 0.181 2 0 "[ . 1 . 2]" 1
314 1 2 THR MG 1 32 ARG QB . . 4.730 4.490 3.056 4.755 0.025 4 0 "[ . 1 . 2]" 1
315 1 19 VAL MG1 1 26 LEU QB . . 4.460 4.516 4.480 4.578 0.118 10 0 "[ . 1 . 2]" 1
316 1 19 VAL MG1 1 26 LEU HG . . 4.410 3.683 3.489 3.819 . 0 0 "[ . 1 . 2]" 1
317 1 21 GLU HG2 1 26 LEU MD2 . . 4.630 2.980 2.601 3.686 . 0 0 "[ . 1 . 2]" 1
318 1 21 GLU HG3 1 26 LEU MD2 . . 4.090 2.400 2.223 2.557 . 0 0 "[ . 1 . 2]" 1
319 1 19 VAL HB 1 26 LEU QB . . 5.340 5.066 4.686 5.355 0.015 13 0 "[ . 1 . 2]" 1
320 1 21 GLU HB2 1 21 GLU HG3 . . 2.570 2.342 2.297 2.459 . 0 0 "[ . 1 . 2]" 1
321 1 21 GLU HG2 1 26 LEU MD1 . . 4.690 4.250 3.974 4.776 0.086 18 0 "[ . 1 . 2]" 1
322 1 21 GLU HB3 1 26 LEU MD2 . . 4.010 3.317 3.220 3.444 . 0 0 "[ . 1 . 2]" 1
323 1 20 CYS HB2 2 27 TYR QD . . 5.070 4.831 4.436 5.079 0.009 16 0 "[ . 1 . 2]" 1
324 1 21 GLU HA 1 25 ARG H . . 4.790 4.457 4.147 4.797 0.007 16 0 "[ . 1 . 2]" 1
325 1 22 ILE H 1 26 LEU MD2 . . 5.030 4.675 4.297 4.987 . 0 0 "[ . 1 . 2]" 1
326 1 2 THR MG 1 32 ARG QD . . 4.610 2.874 2.503 3.544 . 0 0 "[ . 1 . 2]" 1
327 1 5 CYS HB3 1 29 LEU MD2 . . 3.250 3.159 2.961 3.278 0.028 14 0 "[ . 1 . 2]" 1
328 1 22 ILE H 1 22 ILE HG13 . . 4.780 2.721 2.557 2.826 . 0 0 "[ . 1 . 2]" 1
329 1 8 GLY HA2 1 28 ARG HH11 . . 5.230 2.252 1.744 2.755 . 0 0 "[ . 1 . 2]" 1
330 1 28 ARG QB 1 28 ARG HH11 . . 5.500 3.443 3.205 3.657 . 0 0 "[ . 1 . 2]" 1
331 1 2 THR H 1 32 ARG H . . 4.420 3.219 2.860 3.532 . 0 0 "[ . 1 . 2]" 1
332 1 2 THR H 1 31 CYS HA . . 5.500 4.912 4.584 5.130 . 0 0 "[ . 1 . 2]" 1
333 1 2 THR H 2 17 SER HA . . 5.500 5.448 5.035 5.538 0.038 5 0 "[ . 1 . 2]" 1
334 1 1 ALA HA 1 2 THR H . . 3.250 2.216 2.096 2.355 . 0 0 "[ . 1 . 2]" 1
335 1 2 THR H 1 32 ARG QD . . 5.500 4.938 4.392 5.376 . 0 0 "[ . 1 . 2]" 1
336 1 2 THR H 1 32 ARG HG2 . . 5.430 3.641 2.575 4.252 . 0 0 "[ . 1 . 2]" 1
337 1 3 CYS H 2 17 SER HB2 . . 4.400 2.725 2.234 3.912 . 0 0 "[ . 1 . 2]" 1
338 1 2 THR HA 1 3 CYS H . . 3.250 2.131 2.043 2.197 . 0 0 "[ . 1 . 2]" 1
339 1 3 CYS H 2 18 GLY HA2 . . 4.850 4.054 3.680 4.362 . 0 0 "[ . 1 . 2]" 1
340 1 2 THR MG 1 3 CYS H . . 3.760 3.052 2.978 3.127 . 0 0 "[ . 1 . 2]" 1
341 1 1 ALA MB 1 3 CYS H . . 4.890 4.380 4.289 4.474 . 0 0 "[ . 1 . 2]" 1
342 1 2 THR H 1 32 ARG QB . . 5.330 4.722 3.348 5.123 . 0 0 "[ . 1 . 2]" 1
343 1 5 CYS H 1 5 CYS HB3 . . 4.160 3.577 3.547 3.613 . 0 0 "[ . 1 . 2]" 1
344 1 4 TYR HB3 1 5 CYS H . . 4.340 3.731 3.578 3.942 . 0 0 "[ . 1 . 2]" 1
345 1 3 CYS H 1 4 TYR H . . 5.300 4.419 4.346 4.462 . 0 0 "[ . 1 . 2]" 1
346 1 4 TYR H 1 5 CYS H . . 5.200 4.240 4.126 4.303 . 0 0 "[ . 1 . 2]" 1
347 1 4 TYR H 1 4 TYR QE . . 5.500 4.645 4.477 4.846 . 0 0 "[ . 1 . 2]" 1
348 1 4 TYR H 1 29 LEU HA . . 5.380 3.885 3.566 4.053 . 0 0 "[ . 1 . 2]" 1
349 1 4 TYR H 1 4 TYR HB3 . . 4.100 3.596 3.509 3.631 . 0 0 "[ . 1 . 2]" 1
350 1 3 CYS HB2 1 4 TYR H . . 4.330 3.489 3.316 3.661 . 0 0 "[ . 1 . 2]" 1
351 1 17 SER H 1 18 GLY H . . 3.450 2.063 1.942 2.160 . 0 0 "[ . 1 . 2]" 1
352 1 16 LEU HA 1 18 GLY H . . 4.200 3.506 3.357 3.594 . 0 0 "[ . 1 . 2]" 1
353 1 18 GLY H 1 29 LEU MD1 . . 4.940 3.953 3.710 4.106 . 0 0 "[ . 1 . 2]" 1
354 1 18 GLY H 1 29 LEU HB3 . . 4.590 4.307 4.051 4.478 . 0 0 "[ . 1 . 2]" 1
355 1 18 GLY H 1 29 LEU HG . . 5.110 4.101 3.848 4.291 . 0 0 "[ . 1 . 2]" 1
356 1 18 GLY H 1 19 VAL H . . 5.010 4.253 4.202 4.287 . 0 0 "[ . 1 . 2]" 1
357 1 18 GLY HA3 1 19 VAL H . . 3.490 2.747 2.718 2.784 . 0 0 "[ . 1 . 2]" 1
358 1 19 VAL H 1 29 LEU HB2 . . 5.220 4.898 4.760 5.022 . 0 0 "[ . 1 . 2]" 1
359 1 19 VAL H 1 29 LEU HG . . 5.390 4.103 3.927 4.343 . 0 0 "[ . 1 . 2]" 1
360 1 19 VAL H 1 29 LEU MD2 . . 5.500 5.328 5.175 5.537 0.037 8 0 "[ . 1 . 2]" 1
361 1 3 CYS H 1 31 CYS HA . . 5.380 4.719 4.601 4.906 . 0 0 "[ . 1 . 2]" 1
362 1 3 CYS H 1 32 ARG H . . 5.500 4.810 4.691 5.060 . 0 0 "[ . 1 . 2]" 1
363 1 5 CYS H 1 6 ARG H . . 5.240 4.282 4.113 4.447 . 0 0 "[ . 1 . 2]" 1
364 1 6 ARG H 1 30 CYS H . . 5.430 4.167 3.789 4.602 . 0 0 "[ . 1 . 2]" 1
365 1 5 CYS HA 1 6 ARG H . . 3.250 2.213 2.136 2.266 . 0 0 "[ . 1 . 2]" 1
366 1 5 CYS HB2 1 6 ARG H . . 4.470 4.315 4.201 4.413 . 0 0 "[ . 1 . 2]" 1
367 1 6 ARG H 1 6 ARG QG . . 3.960 2.275 2.028 3.046 . 0 0 "[ . 1 . 2]" 1
368 1 6 ARG HA 1 7 THR H . . 3.090 2.247 1.994 2.487 . 0 0 "[ . 1 . 2]" 1
369 1 6 ARG QG 1 7 THR H . . 4.390 4.009 3.430 4.516 0.126 5 0 "[ . 1 . 2]" 1
370 1 6 ARG HB3 1 7 THR H . . 4.200 3.747 3.475 4.046 . 0 0 "[ . 1 . 2]" 1
371 1 6 ARG HB2 1 7 THR H . . 3.920 2.665 2.098 2.967 . 0 0 "[ . 1 . 2]" 1
372 1 6 ARG QD 1 7 THR H . . 4.790 4.511 3.908 4.855 0.065 8 0 "[ . 1 . 2]" 1
373 1 6 ARG H 1 8 GLY H . . 5.500 4.857 4.609 5.104 . 0 0 "[ . 1 . 2]" 1
374 1 8 GLY H 1 28 ARG H . . 5.500 4.233 3.901 4.594 . 0 0 "[ . 1 . 2]" 1
375 1 7 THR H 1 8 GLY H . . 3.430 2.479 2.232 2.609 . 0 0 "[ . 1 . 2]" 1
376 1 8 GLY H 1 28 ARG HH11 . . 5.500 3.751 3.478 4.066 . 0 0 "[ . 1 . 2]" 1
377 1 6 ARG QD 1 8 GLY H . . 4.900 3.269 2.609 4.304 . 0 0 "[ . 1 . 2]" 1
378 1 8 GLY H 1 28 ARG HD3 . . 5.500 5.582 5.505 5.651 0.151 13 0 "[ . 1 . 2]" 1
379 1 7 THR MG 1 8 GLY H . . 4.520 4.207 4.089 4.297 . 0 0 "[ . 1 . 2]" 1
380 1 6 ARG QG 1 8 GLY H . . 4.680 3.153 2.210 4.296 . 0 0 "[ . 1 . 2]" 1
381 1 6 ARG HB2 1 8 GLY H . . 3.910 2.491 2.255 2.823 . 0 0 "[ . 1 . 2]" 1
382 1 9 ARG H 1 10 CYS H . . 4.720 4.487 4.358 4.554 . 0 0 "[ . 1 . 2]" 1
383 1 9 ARG H 1 28 ARG HH11 . . 5.500 4.995 4.602 5.381 . 0 0 "[ . 1 . 2]" 1
384 1 9 ARG H 1 9 ARG HB3 . . 3.290 3.006 2.857 3.297 0.007 1 0 "[ . 1 . 2]" 1
385 1 9 ARG HB2 1 10 CYS H . . 3.680 2.278 2.106 2.472 . 0 0 "[ . 1 . 2]" 1
386 1 17 SER H 1 31 CYS H . . 5.270 4.597 3.960 5.111 . 0 0 "[ . 1 . 2]" 1
387 1 23 SER H 1 25 ARG H . . 5.230 4.222 4.160 4.362 . 0 0 "[ . 1 . 2]" 1
388 1 17 SER H 1 30 CYS HA . . 4.490 3.023 2.797 3.224 . 0 0 "[ . 1 . 2]" 1
389 1 22 ILE MG 1 23 SER H . . 3.640 2.660 2.480 2.890 . 0 0 "[ . 1 . 2]" 1
390 1 22 ILE HA 1 23 SER H . . 2.950 2.086 1.958 2.170 . 0 0 "[ . 1 . 2]" 1
391 1 16 LEU HA 1 17 SER H . . 3.250 2.004 1.951 2.081 . 0 0 "[ . 1 . 2]" 1
392 1 24 GLY H 1 25 ARG H . . 3.560 2.473 2.338 2.770 . 0 0 "[ . 1 . 2]" 1
393 1 22 ILE H 1 25 ARG H . . 3.900 3.094 2.858 3.626 . 0 0 "[ . 1 . 2]" 1
394 1 25 ARG H 1 27 TYR QD . . 5.500 4.717 4.530 4.957 . 0 0 "[ . 1 . 2]" 1
395 1 22 ILE HA 1 25 ARG H . . 4.840 4.529 4.384 4.777 . 0 0 "[ . 1 . 2]" 1
396 1 23 SER HB3 1 25 ARG H . . 5.280 5.177 4.937 5.319 0.039 4 0 "[ . 1 . 2]" 1
397 1 25 ARG H 1 25 ARG HB3 . . 3.690 2.630 2.364 3.627 . 0 0 "[ . 1 . 2]" 1
398 1 25 ARG H 1 25 ARG HB2 . . 3.650 2.747 2.389 2.959 . 0 0 "[ . 1 . 2]" 1
399 1 21 GLU HG3 1 25 ARG H . . 4.900 4.577 3.746 4.923 0.023 14 0 "[ . 1 . 2]" 1
400 1 21 GLU HG2 1 25 ARG H . . 5.340 3.320 2.899 3.952 . 0 0 "[ . 1 . 2]" 1
401 1 25 ARG H 1 25 ARG QD . . 5.160 4.523 3.875 4.904 . 0 0 "[ . 1 . 2]" 1
402 1 23 SER H 1 24 GLY H . . 3.770 2.882 2.754 2.957 . 0 0 "[ . 1 . 2]" 1
403 1 22 ILE H 1 24 GLY H . . 4.760 3.881 3.641 4.205 . 0 0 "[ . 1 . 2]" 1
404 1 23 SER HB3 1 24 GLY H . . 4.860 4.708 4.647 4.744 . 0 0 "[ . 1 . 2]" 1
405 1 21 GLU HG3 1 24 GLY H . . 4.700 4.524 4.114 4.716 0.016 2 0 "[ . 1 . 2]" 1
406 1 22 ILE HB 1 24 GLY H . . 5.450 5.312 5.232 5.373 . 0 0 "[ . 1 . 2]" 1
407 1 22 ILE MG 1 24 GLY H . . 5.250 4.724 4.560 4.823 . 0 0 "[ . 1 . 2]" 1
408 1 22 ILE HA 1 24 GLY H . . 4.110 3.751 3.562 3.877 . 0 0 "[ . 1 . 2]" 1
409 1 23 SER HA 1 24 GLY H . . 3.390 2.918 2.814 2.972 . 0 0 "[ . 1 . 2]" 1
410 1 22 ILE H 1 22 ILE MG . . 4.190 3.903 3.850 3.948 . 0 0 "[ . 1 . 2]" 1
411 1 22 ILE H 1 22 ILE HG12 . . 4.450 3.883 3.777 3.955 . 0 0 "[ . 1 . 2]" 1
412 1 22 ILE H 1 25 ARG HB2 . . 5.320 4.936 3.778 5.268 . 0 0 "[ . 1 . 2]" 1
413 1 21 GLU HB3 1 22 ILE H . . 4.720 4.184 4.137 4.295 . 0 0 "[ . 1 . 2]" 1
414 1 21 GLU HG3 1 22 ILE H . . 4.380 4.268 3.426 4.469 0.089 3 0 "[ . 1 . 2]" 1
415 1 21 GLU HG2 1 22 ILE H . . 4.970 2.941 2.782 3.412 . 0 0 "[ . 1 . 2]" 1
416 1 22 ILE H 1 27 TYR QD . . 4.250 2.573 2.185 2.877 . 0 0 "[ . 1 . 2]" 1
417 1 22 ILE H 1 23 SER H . . 5.080 4.144 3.958 4.312 . 0 0 "[ . 1 . 2]" 1
418 1 21 GLU H 1 26 LEU HA . . 5.500 4.612 4.447 4.813 . 0 0 "[ . 1 . 2]" 1
419 1 20 CYS HB2 1 21 GLU H . . 4.550 3.449 3.269 3.621 . 0 0 "[ . 1 . 2]" 1
420 1 21 GLU H 1 22 ILE HG13 . . 5.500 3.888 3.775 4.016 . 0 0 "[ . 1 . 2]" 1
421 1 21 GLU H 1 26 LEU MD2 . . 5.130 4.208 4.083 4.293 . 0 0 "[ . 1 . 2]" 1
422 1 21 GLU H 1 21 GLU HB2 . . 3.660 2.850 2.759 2.913 . 0 0 "[ . 1 . 2]" 1
423 1 21 GLU H 1 21 GLU HG2 . . 4.880 4.525 4.397 4.580 . 0 0 "[ . 1 . 2]" 1
424 1 19 VAL H 1 20 CYS H . . 4.480 4.277 4.225 4.330 . 0 0 "[ . 1 . 2]" 1
425 1 20 CYS H 1 27 TYR QD . . 5.250 4.929 4.795 5.036 . 0 0 "[ . 1 . 2]" 1
426 1 20 CYS H 1 26 LEU HA . . 4.720 4.603 4.448 4.712 . 0 0 "[ . 1 . 2]" 1
427 1 20 CYS H 1 29 LEU MD1 . . 5.050 4.829 4.619 4.986 . 0 0 "[ . 1 . 2]" 1
428 1 20 CYS H 1 29 LEU MD2 . . 4.320 4.414 4.379 4.452 0.132 18 0 "[ . 1 . 2]" 1
429 1 19 VAL MG1 1 20 CYS H . . 3.950 3.448 3.343 3.597 . 0 0 "[ . 1 . 2]" 1
430 1 20 CYS H 1 29 LEU HG . . 4.810 4.178 4.043 4.357 . 0 0 "[ . 1 . 2]" 1
431 1 20 CYS H 1 26 LEU QB . . 5.500 5.423 5.275 5.532 0.032 6 0 "[ . 1 . 2]" 1
432 1 20 CYS H 1 26 LEU HG . . 5.360 5.493 5.470 5.538 0.178 10 0 "[ . 1 . 2]" 1
433 1 20 CYS H 1 27 TYR HB3 . . 4.570 4.066 3.965 4.203 . 0 0 "[ . 1 . 2]" 1
434 1 20 CYS H 1 28 ARG HA . . 4.240 3.609 3.505 3.712 . 0 0 "[ . 1 . 2]" 1
435 1 25 ARG H 1 25 ARG HG3 . . 4.440 4.366 3.028 4.551 0.111 17 0 "[ . 1 . 2]" 1
436 1 22 ILE H 1 27 TYR HB2 . . 5.500 4.274 3.914 4.488 . 0 0 "[ . 1 . 2]" 1
437 1 22 ILE H 1 26 LEU H . . 5.500 4.939 4.849 5.080 . 0 0 "[ . 1 . 2]" 1
438 1 21 GLU HA 1 26 LEU H . . 5.350 4.709 4.579 4.830 . 0 0 "[ . 1 . 2]" 1
439 1 25 ARG HG3 1 26 LEU H . . 4.100 3.377 2.971 4.361 0.261 13 0 "[ . 1 . 2]" 1
440 1 20 CYS H 1 27 TYR H . . 3.950 3.119 2.990 3.278 . 0 0 "[ . 1 . 2]" 1
441 1 26 LEU H 1 27 TYR H . . 4.880 4.330 4.218 4.408 . 0 0 "[ . 1 . 2]" 1
442 1 21 GLU HA 1 27 TYR H . . 4.140 2.572 2.320 2.807 . 0 0 "[ . 1 . 2]" 1
443 1 27 TYR H 1 27 TYR HB2 . . 3.810 2.241 2.179 2.282 . 0 0 "[ . 1 . 2]" 1
444 1 26 LEU QB 1 27 TYR H . . 4.220 3.665 3.459 3.776 . 0 0 "[ . 1 . 2]" 1
445 1 19 VAL HB 1 27 TYR H . . 5.500 4.523 4.048 4.854 . 0 0 "[ . 1 . 2]" 1
446 1 22 ILE HG13 1 27 TYR H . . 5.500 4.041 3.895 4.226 . 0 0 "[ . 1 . 2]" 1
447 1 25 ARG HG2 1 26 LEU H . . 3.760 3.016 2.585 3.662 . 0 0 "[ . 1 . 2]" 1
448 1 26 LEU MD2 1 27 TYR H . . 4.050 3.997 3.808 4.077 0.027 13 0 "[ . 1 . 2]" 1
449 1 7 THR MG 1 27 TYR H . . 5.500 4.995 3.993 5.563 0.063 7 0 "[ . 1 . 2]" 1
450 1 22 ILE HB 1 27 TYR H . . 5.500 5.132 4.888 5.281 . 0 0 "[ . 1 . 2]" 1
451 1 6 ARG H 1 28 ARG H . . 4.080 3.220 2.781 3.432 . 0 0 "[ . 1 . 2]" 1
452 1 28 ARG H 1 29 LEU H . . 4.910 4.442 4.407 4.501 . 0 0 "[ . 1 . 2]" 1
453 1 5 CYS HA 1 28 ARG H . . 5.500 4.548 4.344 4.735 . 0 0 "[ . 1 . 2]" 1
454 1 6 ARG HA 1 28 ARG H . . 5.500 4.664 4.438 4.822 . 0 0 "[ . 1 . 2]" 1
455 1 28 ARG H 1 28 ARG HD3 . . 5.150 4.913 4.752 5.011 . 0 0 "[ . 1 . 2]" 1
456 1 27 TYR HB2 1 28 ARG H . . 4.470 4.346 4.236 4.415 . 0 0 "[ . 1 . 2]" 1
457 1 7 THR MG 1 28 ARG H . . 5.500 4.670 4.033 5.233 . 0 0 "[ . 1 . 2]" 1
458 1 28 ARG H 1 28 ARG QB . . 3.320 2.328 2.235 2.379 . 0 0 "[ . 1 . 2]" 1
459 1 17 SER H 1 29 LEU H . . 5.300 3.735 3.608 3.886 . 0 0 "[ . 1 . 2]" 1
460 1 18 GLY H 1 29 LEU H . . 4.040 2.933 2.792 3.094 . 0 0 "[ . 1 . 2]" 1
461 1 28 ARG HA 1 29 LEU H . . 3.260 2.172 2.123 2.247 . 0 0 "[ . 1 . 2]" 1
462 1 19 VAL HA 1 29 LEU H . . 4.040 3.208 3.006 3.354 . 0 0 "[ . 1 . 2]" 1
463 1 16 LEU HB2 1 29 LEU H . . 5.500 5.459 5.232 5.534 0.034 17 0 "[ . 1 . 2]" 1
464 1 28 ARG QB 1 29 LEU H . . 3.960 2.744 2.547 2.934 . 0 0 "[ . 1 . 2]" 1
465 1 29 LEU H 1 29 LEU HB2 . . 3.870 2.547 2.495 2.589 . 0 0 "[ . 1 . 2]" 1
466 1 16 LEU MD1 1 29 LEU H . . 4.640 4.540 4.329 4.649 0.009 7 0 "[ . 1 . 2]" 1
467 1 29 LEU H 1 29 LEU MD2 . . 3.810 3.347 3.244 3.471 . 0 0 "[ . 1 . 2]" 1
468 1 29 LEU H 1 29 LEU MD1 . . 4.550 3.872 3.799 3.977 . 0 0 "[ . 1 . 2]" 1
469 1 4 TYR H 1 30 CYS H . . 4.110 3.245 2.870 3.773 . 0 0 "[ . 1 . 2]" 1
470 1 29 LEU H 1 30 CYS H . . 5.150 4.212 4.061 4.342 . 0 0 "[ . 1 . 2]" 1
471 1 3 CYS HA 1 30 CYS H . . 5.440 4.791 4.383 5.150 . 0 0 "[ . 1 . 2]" 1
472 1 4 TYR QD 1 30 CYS H . . 5.500 4.480 4.111 5.053 . 0 0 "[ . 1 . 2]" 1
473 1 5 CYS HA 1 30 CYS H . . 4.840 4.431 4.245 4.758 . 0 0 "[ . 1 . 2]" 1
474 1 29 LEU HG 1 30 CYS H . . 5.500 5.270 5.175 5.341 . 0 0 "[ . 1 . 2]" 1
475 1 28 ARG QB 1 30 CYS H . . 5.490 4.433 3.998 4.805 . 0 0 "[ . 1 . 2]" 1
476 1 3 CYS HB3 1 30 CYS H . . 5.260 4.479 3.968 4.982 . 0 0 "[ . 1 . 2]" 1
477 1 30 CYS H 1 30 CYS HB3 . . 4.020 3.290 3.098 3.426 . 0 0 "[ . 1 . 2]" 1
478 1 3 CYS HA 1 31 CYS H . . 5.500 4.720 4.572 4.903 . 0 0 "[ . 1 . 2]" 1
479 1 16 LEU HA 1 31 CYS H . . 4.980 4.745 3.846 5.038 0.058 2 0 "[ . 1 . 2]" 1
480 1 17 SER HB3 1 31 CYS H . . 5.500 4.266 3.848 5.236 . 0 0 "[ . 1 . 2]" 1
481 1 30 CYS HB2 1 31 CYS H . . 4.740 3.051 2.789 3.416 . 0 0 "[ . 1 . 2]" 1
482 1 31 CYS H 1 31 CYS HB2 . . 4.040 2.949 2.716 3.145 . 0 0 "[ . 1 . 2]" 1
483 1 31 CYS H 1 31 CYS HB3 . . 4.130 2.775 2.617 2.869 . 0 0 "[ . 1 . 2]" 1
484 1 30 CYS HB3 1 31 CYS H . . 5.340 3.993 3.820 4.197 . 0 0 "[ . 1 . 2]" 1
485 1 31 CYS H 2 1 ALA MB . . 5.500 4.220 3.733 4.552 . 0 0 "[ . 1 . 2]" 1
486 1 31 CYS HA 1 32 ARG H . . 3.530 2.266 2.127 2.359 . 0 0 "[ . 1 . 2]" 1
487 1 3 CYS HA 1 32 ARG H . . 4.270 3.286 3.062 3.574 . 0 0 "[ . 1 . 2]" 1
488 1 2 THR HB 1 32 ARG H . . 5.300 3.449 3.225 3.700 . 0 0 "[ . 1 . 2]" 1
489 1 32 ARG H 1 32 ARG QD . . 5.500 4.004 3.871 4.291 . 0 0 "[ . 1 . 2]" 1
490 1 1 ALA MB 1 32 ARG H . . 5.030 4.818 4.341 5.065 0.035 19 0 "[ . 1 . 2]" 1
491 1 3 CYS HB3 1 32 ARG H . . 5.500 5.187 4.883 5.420 . 0 0 "[ . 1 . 2]" 1
492 1 25 ARG HA 1 25 ARG HE . . 5.500 4.514 3.872 5.174 . 0 0 "[ . 1 . 2]" 1
493 1 7 THR HB 1 25 ARG HE . . 5.500 4.394 2.925 5.518 0.018 4 0 "[ . 1 . 2]" 1
494 1 7 THR MG 1 25 ARG HE . . 5.390 3.319 1.740 4.387 . 0 0 "[ . 1 . 2]" 1
495 1 9 ARG HB2 1 9 ARG HE . . 5.010 3.990 2.452 4.513 . 0 0 "[ . 1 . 2]" 1
496 1 9 ARG HB3 1 9 ARG HE . . 4.720 3.852 1.885 4.499 . 0 0 "[ . 1 . 2]" 1
497 1 13 ARG QB 1 13 ARG HE . . 4.650 2.732 1.703 4.198 . 0 0 "[ . 1 . 2]" 1
498 1 13 ARG HA 1 13 ARG HE . . 5.500 4.223 2.788 5.020 . 0 0 "[ . 1 . 2]" 1
499 1 16 LEU MD1 1 28 ARG HE . . 4.950 2.396 2.159 2.747 . 0 0 "[ . 1 . 2]" 1
500 1 2 THR MG 1 32 ARG HE . . 5.500 4.418 2.755 5.343 . 0 0 "[ . 1 . 2]" 1
501 1 32 ARG QB 1 32 ARG HE . . 4.310 2.623 1.862 3.957 . 0 0 "[ . 1 . 2]" 1
502 1 3 CYS H 2 29 LEU MD1 . . 5.140 3.998 3.814 4.107 . 0 0 "[ . 1 . 2]" 1
503 1 7 THR H 1 27 TYR QD . . 5.320 4.439 4.051 4.819 . 0 0 "[ . 1 . 2]" 1
504 1 10 CYS H 1 13 ARG QD . . 4.720 3.284 2.628 4.440 . 0 0 "[ . 1 . 2]" 1
505 1 17 SER H 1 29 LEU HB3 . . 4.670 4.418 4.179 4.673 0.003 13 0 "[ . 1 . 2]" 1
506 1 22 ILE MD 1 23 SER H . . 5.040 5.126 5.081 5.181 0.141 5 0 "[ . 1 . 2]" 1
507 1 6 ARG H 1 27 TYR HA . . 5.040 4.151 3.766 4.631 . 0 0 "[ . 1 . 2]" 1
508 1 6 ARG H 1 7 THR H . . 5.020 4.482 4.330 4.572 . 0 0 "[ . 1 . 2]" 1
509 1 19 VAL H 1 29 LEU MD1 . . 3.830 3.796 3.666 3.855 0.025 10 0 "[ . 1 . 2]" 1
510 1 26 LEU H 1 26 LEU MD2 . . 4.570 3.860 3.580 4.072 . 0 0 "[ . 1 . 2]" 1
511 1 22 ILE MD 1 27 TYR H . . 5.500 4.578 4.422 4.812 . 0 0 "[ . 1 . 2]" 1
512 1 26 LEU MD1 1 28 ARG HE . . 5.500 4.646 4.153 5.217 . 0 0 "[ . 1 . 2]" 1
513 1 29 LEU H 1 29 LEU HB3 . . 4.180 3.648 3.617 3.696 . 0 0 "[ . 1 . 2]" 1
514 1 30 CYS H 2 29 LEU MD1 . . 5.060 4.630 4.395 5.095 0.035 14 0 "[ . 1 . 2]" 1
515 1 29 LEU MD2 1 30 CYS H . . 3.970 3.887 3.741 4.001 0.031 14 0 "[ . 1 . 2]" 1
516 1 15 SER HA 1 31 CYS H . . 5.480 5.009 4.007 5.544 0.064 13 0 "[ . 1 . 2]" 1
517 1 18 GLY H 1 19 VAL MG2 . . 5.500 4.916 4.712 5.164 . 0 0 "[ . 1 . 2]" 1
518 1 2 THR H 1 31 CYS HB3 . . 5.500 5.446 5.221 5.540 0.040 13 0 "[ . 1 . 2]" 1
519 1 6 ARG H 1 27 TYR QD . . 5.040 3.873 3.254 4.194 . 0 0 "[ . 1 . 2]" 1
520 1 20 CYS H 1 28 ARG QB . . 5.500 5.470 5.408 5.546 0.046 8 0 "[ . 1 . 2]" 1
521 1 21 GLU H 1 22 ILE HG12 . . 5.500 4.520 4.398 4.649 . 0 0 "[ . 1 . 2]" 1
522 1 21 GLU H 1 22 ILE MD . . 5.500 4.928 4.833 5.032 . 0 0 "[ . 1 . 2]" 1
523 1 27 TYR H 1 27 TYR QE . . 5.210 4.891 4.726 5.055 . 0 0 "[ . 1 . 2]" 1
524 1 6 ARG H 1 6 ARG HB3 . . 3.740 3.221 2.824 3.515 . 0 0 "[ . 1 . 2]" 1
525 1 3 CYS HB2 2 29 LEU MD1 . . 3.490 2.428 2.217 2.571 . 0 0 "[ . 1 . 2]" 1
526 1 3 CYS HB2 2 29 LEU MD2 . . 4.590 4.365 4.220 4.461 . 0 0 "[ . 1 . 2]" 1
527 1 5 CYS HB3 2 29 LEU MD2 . . 4.060 3.935 3.838 4.010 . 0 0 "[ . 1 . 2]" 1
528 1 5 CYS HB2 2 22 ILE MD . . 4.340 3.361 2.933 3.864 . 0 0 "[ . 1 . 2]" 1
529 1 5 CYS HA 2 29 LEU MD1 . . 4.210 3.288 3.160 3.393 . 0 0 "[ . 1 . 2]" 1
530 1 5 CYS HA 2 29 LEU MD2 . . 3.920 3.954 3.933 3.976 0.056 12 0 "[ . 1 . 2]" 1
531 1 20 CYS HB3 2 5 CYS HB3 . . 4.190 3.631 3.339 3.809 . 0 0 "[ . 1 . 2]" 1
532 1 5 CYS HB3 2 20 CYS HB2 . . 4.180 3.961 3.841 4.122 . 0 0 "[ . 1 . 2]" 1
533 1 5 CYS HB2 2 20 CYS HB3 . . 3.950 2.293 2.117 2.452 . 0 0 "[ . 1 . 2]" 1
534 1 22 ILE MD 2 22 ILE MG . . 3.970 2.976 2.607 3.463 . 0 0 "[ . 1 . 2]" 1
535 1 22 ILE MD 2 5 CYS HB3 . . 4.410 3.369 3.102 3.691 . 0 0 "[ . 1 . 2]" 1
536 1 22 ILE HG13 2 22 ILE MD . . 4.220 3.857 3.672 3.980 . 0 0 "[ . 1 . 2]" 1
537 1 22 ILE HG12 2 22 ILE MD . . 4.220 4.217 4.029 4.270 0.050 1 0 "[ . 1 . 2]" 1
538 1 22 ILE MD 2 27 TYR QE . . 3.810 2.641 2.475 2.764 . 0 0 "[ . 1 . 2]" 1
539 1 22 ILE MG 2 27 TYR QE . . 3.510 2.391 2.283 2.518 . 0 0 "[ . 1 . 2]" 1
540 1 31 CYS HB2 2 1 ALA MB . . 4.190 4.151 3.688 4.247 0.057 15 0 "[ . 1 . 2]" 1
541 1 22 ILE HB 2 22 ILE MD . . 4.410 2.971 2.461 3.346 . 0 0 "[ . 1 . 2]" 1
542 1 27 TYR QE 2 22 ILE HG12 . . 4.420 3.755 3.470 4.018 . 0 0 "[ . 1 . 2]" 1
543 1 22 ILE HB 2 27 TYR QE . . 4.550 4.637 4.614 4.661 0.111 8 0 "[ . 1 . 2]" 1
544 2 4 TYR HA 2 4 TYR QD . . 3.940 3.744 3.723 3.773 . 0 0 "[ . 1 . 2]" 1
545 2 4 TYR H 2 4 TYR QD . . 4.020 3.362 3.197 3.569 . 0 0 "[ . 1 . 2]" 1
546 2 4 TYR QD 2 5 CYS H . . 4.730 3.935 3.588 4.329 . 0 0 "[ . 1 . 2]" 1
547 2 4 TYR QE 2 6 ARG QG . . 3.590 3.240 2.513 3.683 0.093 18 0 "[ . 1 . 2]" 1
548 2 4 TYR QE 2 6 ARG HB3 . . 4.120 3.235 2.378 4.202 0.082 11 0 "[ . 1 . 2]" 1
549 2 4 TYR QE 2 6 ARG QD . . 5.280 3.991 2.199 5.032 . 0 0 "[ . 1 . 2]" 1
550 2 27 TYR H 2 27 TYR QD . . 3.780 2.858 2.723 3.017 . 0 0 "[ . 1 . 2]" 1
551 2 25 ARG QD 2 27 TYR QD . . 4.600 4.208 3.962 4.525 . 0 0 "[ . 1 . 2]" 1
552 2 22 ILE HB 2 27 TYR QD . . 4.060 2.514 2.301 2.899 . 0 0 "[ . 1 . 2]" 1
553 2 7 THR MG 2 27 TYR QD . . 3.840 2.916 2.509 3.252 . 0 0 "[ . 1 . 2]" 1
554 2 7 THR MG 2 27 TYR QE . . 3.530 2.458 2.095 2.832 . 0 0 "[ . 1 . 2]" 1
555 2 27 TYR QD 2 28 ARG H . . 4.810 4.179 3.890 4.354 . 0 0 "[ . 1 . 2]" 1
556 2 22 ILE HB 2 27 TYR QE . . 3.620 2.283 1.967 2.741 . 0 0 "[ . 1 . 2]" 1
557 2 25 ARG H 2 27 TYR QE . . 4.780 4.133 3.575 4.584 . 0 0 "[ . 1 . 2]" 1
558 2 22 ILE H 2 27 TYR QE . . 4.490 3.543 2.953 4.173 . 0 0 "[ . 1 . 2]" 1
559 2 6 ARG HA 2 6 ARG QG . . 3.610 3.330 2.732 3.535 . 0 0 "[ . 1 . 2]" 1
560 2 6 ARG HB2 2 6 ARG QD . . 3.760 2.414 2.188 3.280 . 0 0 "[ . 1 . 2]" 1
561 2 9 ARG HA 2 13 ARG QD . . 3.860 3.849 3.401 4.082 0.222 9 0 "[ . 1 . 2]" 1
562 2 9 ARG HA 2 9 ARG QG . . 3.280 3.325 3.304 3.336 0.056 2 0 "[ . 1 . 2]" 1
563 2 9 ARG HB2 2 9 ARG QD . . 3.540 2.441 2.333 2.867 . 0 0 "[ . 1 . 2]" 1
564 2 19 VAL HA 2 19 VAL MG1 . . 3.530 2.296 2.267 2.337 . 0 0 "[ . 1 . 2]" 1
565 2 22 ILE HB 2 22 ILE MD . . 3.370 2.364 2.327 2.414 . 0 0 "[ . 1 . 2]" 1
566 2 22 ILE HA 2 22 ILE HG12 . . 3.990 2.704 2.627 2.788 . 0 0 "[ . 1 . 2]" 1
567 2 22 ILE HA 2 22 ILE HG13 . . 3.800 3.148 3.071 3.207 . 0 0 "[ . 1 . 2]" 1
568 2 22 ILE HA 2 22 ILE MD . . 4.090 3.875 3.843 3.939 . 0 0 "[ . 1 . 2]" 1
569 2 25 ARG HA 2 25 ARG HG3 . . 3.950 2.488 2.399 2.549 . 0 0 "[ . 1 . 2]" 1
570 2 25 ARG HA 2 25 ARG QD . . 4.310 4.103 3.941 4.238 . 0 0 "[ . 1 . 2]" 1
571 2 25 ARG HB2 2 25 ARG QD . . 3.820 2.604 2.237 2.965 . 0 0 "[ . 1 . 2]" 1
572 2 25 ARG HA 2 25 ARG HG2 . . 3.480 3.050 2.976 3.179 . 0 0 "[ . 1 . 2]" 1
573 2 26 LEU HA 2 26 LEU HG . . 4.200 3.673 3.617 3.709 . 0 0 "[ . 1 . 2]" 1
574 2 26 LEU HA 2 26 LEU MD2 . . 3.620 2.458 2.335 2.596 . 0 0 "[ . 1 . 2]" 1
575 2 28 ARG HA 2 28 ARG HD2 . . 4.530 4.548 4.511 4.587 0.057 4 0 "[ . 1 . 2]" 1
576 2 28 ARG QB 2 28 ARG HD2 . . 3.180 2.215 2.131 2.257 . 0 0 "[ . 1 . 2]" 1
577 2 28 ARG HA 2 28 ARG HG2 . . 3.370 2.625 2.564 2.706 . 0 0 "[ . 1 . 2]" 1
578 2 28 ARG HA 2 28 ARG HD3 . . 4.900 4.448 4.387 4.527 . 0 0 "[ . 1 . 2]" 1
579 2 28 ARG QB 2 28 ARG HD3 . . 3.620 2.380 2.317 2.448 . 0 0 "[ . 1 . 2]" 1
580 2 3 CYS HA 2 4 TYR H . . 3.560 2.482 2.386 2.579 . 0 0 "[ . 1 . 2]" 1
581 1 17 SER HB2 2 3 CYS HB2 . . 5.070 3.271 2.579 3.711 . 0 0 "[ . 1 . 2]" 1
582 2 3 CYS H 2 3 CYS HB2 . . 4.160 2.702 2.633 2.846 . 0 0 "[ . 1 . 2]" 1
583 2 3 CYS HB3 2 4 TYR H . . 3.900 2.586 2.413 2.857 . 0 0 "[ . 1 . 2]" 1
584 2 3 CYS HB3 2 31 CYS HA . . 4.680 3.603 3.219 3.906 . 0 0 "[ . 1 . 2]" 1
585 1 29 LEU MD1 2 3 CYS HB3 . . 3.490 2.634 2.323 3.038 . 0 0 "[ . 1 . 2]" 1
586 1 29 LEU HB2 2 3 CYS HB3 . . 5.100 4.117 3.633 4.690 . 0 0 "[ . 1 . 2]" 1
587 2 4 TYR HA 2 5 CYS H . . 3.410 2.222 2.106 2.318 . 0 0 "[ . 1 . 2]" 1
588 2 4 TYR HB2 2 5 CYS H . . 3.680 2.674 2.437 2.937 . 0 0 "[ . 1 . 2]" 1
589 2 7 THR HA 2 7 THR MG . . 3.320 2.281 2.191 2.337 . 0 0 "[ . 1 . 2]" 1
590 2 7 THR MG 2 25 ARG QD . . 4.100 2.388 1.838 3.328 . 0 0 "[ . 1 . 2]" 1
591 2 7 THR H 2 7 THR MG . . 3.630 2.407 2.179 2.596 . 0 0 "[ . 1 . 2]" 1
592 2 7 THR HB 2 8 GLY H . . 4.570 4.248 4.034 4.428 . 0 0 "[ . 1 . 2]" 1
593 2 7 THR HA 2 27 TYR QD . . 4.800 3.808 3.311 4.361 . 0 0 "[ . 1 . 2]" 1
594 2 7 THR HA 2 28 ARG H . . 4.180 3.395 2.873 3.728 . 0 0 "[ . 1 . 2]" 1
595 2 1 ALA MB 2 2 THR H . . 3.570 3.052 2.535 3.503 . 0 0 "[ . 1 . 2]" 1
596 1 16 LEU HA 2 1 ALA MB . . 5.500 5.581 5.525 5.652 0.152 13 0 "[ . 1 . 2]" 1
597 1 17 SER HB2 2 1 ALA MB . . 4.090 2.788 2.480 3.494 . 0 0 "[ . 1 . 2]" 1
598 2 1 ALA MB 2 2 THR HA . . 4.710 3.963 3.792 4.093 . 0 0 "[ . 1 . 2]" 1
599 2 2 THR HA 2 32 ARG H . . 4.880 4.820 4.648 4.968 0.088 10 0 "[ . 1 . 2]" 1
600 2 2 THR HA 2 32 ARG QD . . 5.410 5.339 4.873 5.572 0.162 8 0 "[ . 1 . 2]" 1
601 2 2 THR HB 2 32 ARG HG2 . . 4.810 2.512 1.855 3.594 . 0 0 "[ . 1 . 2]" 1
602 2 2 THR H 2 2 THR HB . . 3.710 2.682 2.489 2.886 . 0 0 "[ . 1 . 2]" 1
603 2 2 THR HA 2 2 THR MG . . 3.320 2.385 2.317 2.432 . 0 0 "[ . 1 . 2]" 1
604 2 2 THR MG 2 32 ARG H . . 5.250 4.161 3.293 4.437 . 0 0 "[ . 1 . 2]" 1
605 2 5 CYS H 2 5 CYS HB2 . . 3.800 2.583 2.534 2.634 . 0 0 "[ . 1 . 2]" 1
606 2 5 CYS HB3 2 6 ARG H . . 4.270 3.664 3.327 3.864 . 0 0 "[ . 1 . 2]" 1
607 2 5 CYS HB3 2 27 TYR HB3 . . 4.550 2.544 2.352 2.743 . 0 0 "[ . 1 . 2]" 1
608 2 6 ARG HB3 2 8 GLY H . . 4.160 4.063 2.568 4.283 0.123 8 0 "[ . 1 . 2]" 1
609 2 6 ARG HB3 2 6 ARG QD . . 3.580 2.865 2.246 3.345 . 0 0 "[ . 1 . 2]" 1
610 2 6 ARG H 2 6 ARG QD . . 5.050 3.478 1.847 4.519 . 0 0 "[ . 1 . 2]" 1
611 2 6 ARG HA 2 8 GLY H . . 4.380 3.809 3.582 4.074 . 0 0 "[ . 1 . 2]" 1
612 2 8 GLY HA2 2 9 ARG QG . . 4.770 4.811 4.287 4.996 0.226 18 0 "[ . 1 . 2]" 1
613 2 6 ARG HB2 2 8 GLY HA2 . . 5.280 5.085 4.431 5.714 0.434 14 0 "[ . 1 . 2]" 1
614 2 8 GLY HA3 2 9 ARG QG . . 4.990 3.699 3.514 3.909 . 0 0 "[ . 1 . 2]" 1
615 2 8 GLY HA3 2 9 ARG H . . 3.310 2.160 2.057 2.485 . 0 0 "[ . 1 . 2]" 1
616 2 9 ARG HB3 2 9 ARG QD . . 3.140 2.496 2.348 2.886 . 0 0 "[ . 1 . 2]" 1
617 2 9 ARG HB3 2 9 ARG QG . . 2.400 2.332 2.299 2.402 0.002 11 0 "[ . 1 . 2]" 1
618 2 8 GLY HA3 2 9 ARG HA . . 4.730 4.300 4.221 4.471 . 0 0 "[ . 1 . 2]" 1
619 2 9 ARG HA 2 10 CYS HB3 . . 4.840 4.681 4.399 5.090 0.250 14 0 "[ . 1 . 2]" 1
620 2 9 ARG HA 2 28 ARG HH11 . . 4.960 4.931 4.626 5.046 0.086 4 0 "[ . 1 . 2]" 1
621 2 9 ARG HA 2 10 CYS H . . 3.010 2.585 2.267 2.733 . 0 0 "[ . 1 . 2]" 1
622 2 9 ARG H 2 9 ARG HB2 . . 3.740 3.722 3.655 3.789 0.049 10 0 "[ . 1 . 2]" 1
623 2 6 ARG H 2 28 ARG QB . . 3.740 3.707 3.573 3.777 0.037 7 0 "[ . 1 . 2]" 1
624 2 9 ARG HB3 2 10 CYS H . . 3.690 3.682 3.558 3.759 0.069 11 0 "[ . 1 . 2]" 1
625 2 9 ARG H 2 9 ARG QG . . 3.570 2.082 1.937 2.289 . 0 0 "[ . 1 . 2]" 1
626 2 9 ARG QG 2 10 CYS H . . 4.230 3.325 3.083 3.677 . 0 0 "[ . 1 . 2]" 1
627 1 3 CYS H 2 17 SER HA . . 5.220 3.942 3.764 4.157 . 0 0 "[ . 1 . 2]" 1
628 2 17 SER HB2 2 18 GLY H . . 5.420 3.946 3.052 4.172 . 0 0 "[ . 1 . 2]" 1
629 2 17 SER H 2 17 SER HB3 . . 4.080 3.090 2.929 3.647 . 0 0 "[ . 1 . 2]" 1
630 1 3 CYS H 2 17 SER HB3 . . 5.240 4.075 2.791 4.652 . 0 0 "[ . 1 . 2]" 1
631 1 1 ALA MB 2 17 SER HB3 . . 4.820 2.083 1.913 2.490 . 0 0 "[ . 1 . 2]" 1
632 2 16 LEU HB3 2 17 SER H . . 4.740 4.227 4.125 4.287 . 0 0 "[ . 1 . 2]" 1
633 2 16 LEU HB3 2 16 LEU MD1 . . 3.080 2.330 2.304 2.363 . 0 0 "[ . 1 . 2]" 1
634 2 16 LEU HA 2 16 LEU HG . . 3.390 2.863 2.772 2.959 . 0 0 "[ . 1 . 2]" 1
635 2 16 LEU HG 2 28 ARG HA . . 3.900 3.771 3.551 3.931 0.031 20 0 "[ . 1 . 2]" 1
636 2 16 LEU HB3 2 16 LEU HG . . 2.980 3.064 3.039 3.084 0.104 20 0 "[ . 1 . 2]" 1
637 2 16 LEU HA 2 16 LEU MD1 . . 4.640 3.907 3.857 3.956 . 0 0 "[ . 1 . 2]" 1
638 2 16 LEU MD1 2 28 ARG HD3 . . 4.580 2.286 2.110 2.478 . 0 0 "[ . 1 . 2]" 1
639 2 16 LEU HB2 2 16 LEU MD1 . . 3.250 2.262 2.211 2.321 . 0 0 "[ . 1 . 2]" 1
640 2 16 LEU MD1 2 18 GLY H . . 4.710 4.603 4.527 4.666 . 0 0 "[ . 1 . 2]" 1
641 2 16 LEU MD1 2 17 SER H . . 4.820 4.836 4.765 4.878 0.058 2 0 "[ . 1 . 2]" 1
642 2 16 LEU HG 2 28 ARG HE . . 4.840 4.247 4.000 4.839 . 0 0 "[ . 1 . 2]" 1
643 2 16 LEU HG 2 29 LEU H . . 3.700 3.324 3.179 3.423 . 0 0 "[ . 1 . 2]" 1
644 2 16 LEU HG 2 17 SER H . . 3.650 3.736 3.711 3.771 0.121 12 0 "[ . 1 . 2]" 1
645 2 18 GLY HA2 2 19 VAL H . . 3.540 2.352 2.310 2.381 . 0 0 "[ . 1 . 2]" 1
646 1 3 CYS H 2 18 GLY HA3 . . 3.720 3.422 3.169 3.726 0.006 13 0 "[ . 1 . 2]" 1
647 2 18 GLY HA3 2 29 LEU MD1 . . 4.250 2.269 2.090 2.455 . 0 0 "[ . 1 . 2]" 1
648 2 19 VAL HA 2 28 ARG HA . . 3.560 2.330 2.239 2.421 . 0 0 "[ . 1 . 2]" 1
649 2 19 VAL HA 2 27 TYR HB2 . . 5.290 4.985 4.897 5.152 . 0 0 "[ . 1 . 2]" 1
650 2 19 VAL HA 2 28 ARG QB . . 4.670 4.408 4.321 4.503 . 0 0 "[ . 1 . 2]" 1
651 2 19 VAL HA 2 29 LEU HB2 . . 4.680 4.647 4.385 4.709 0.029 8 0 "[ . 1 . 2]" 1
652 2 19 VAL HA 2 29 LEU MD2 . . 4.380 4.174 4.048 4.335 . 0 0 "[ . 1 . 2]" 1
653 2 19 VAL HA 2 20 CYS H . . 3.050 2.142 2.091 2.211 . 0 0 "[ . 1 . 2]" 1
654 2 19 VAL H 2 19 VAL MG1 . . 3.770 3.299 3.125 3.371 . 0 0 "[ . 1 . 2]" 1
655 2 19 VAL HB 2 20 CYS H . . 3.630 2.683 2.355 2.858 . 0 0 "[ . 1 . 2]" 1
656 2 19 VAL HB 2 28 ARG HA . . 5.360 3.959 3.593 4.094 . 0 0 "[ . 1 . 2]" 1
657 2 19 VAL HB 2 26 LEU HG . . 4.720 4.201 4.024 4.307 . 0 0 "[ . 1 . 2]" 1
658 2 19 VAL MG2 2 20 CYS H . . 4.230 3.818 3.506 3.940 . 0 0 "[ . 1 . 2]" 1
659 2 19 VAL MG2 2 28 ARG HA . . 4.580 4.619 4.581 4.662 0.082 12 0 "[ . 1 . 2]" 1
660 2 19 VAL H 2 19 VAL MG2 . . 3.550 2.331 2.256 2.417 . 0 0 "[ . 1 . 2]" 1
661 2 20 CYS HB3 2 21 GLU H . . 4.520 4.182 4.082 4.295 . 0 0 "[ . 1 . 2]" 1
662 2 20 CYS H 2 20 CYS HB3 . . 4.060 3.575 3.519 3.635 . 0 0 "[ . 1 . 2]" 1
663 2 20 CYS HB2 2 22 ILE MD . . 3.630 2.434 2.182 2.658 . 0 0 "[ . 1 . 2]" 1
664 2 20 CYS H 2 20 CYS HB2 . . 3.830 3.791 3.716 3.835 0.005 14 0 "[ . 1 . 2]" 1
665 2 20 CYS HA 2 21 GLU H . . 3.200 2.113 2.039 2.158 . 0 0 "[ . 1 . 2]" 1
666 2 20 CYS HB2 2 22 ILE HG12 . . 4.670 3.072 2.995 3.128 . 0 0 "[ . 1 . 2]" 1
667 2 20 CYS HB3 2 22 ILE HG12 . . 4.730 4.756 4.704 4.778 0.048 13 0 "[ . 1 . 2]" 1
668 2 20 CYS HB2 2 22 ILE HG13 . . 4.050 2.667 2.465 2.953 . 0 0 "[ . 1 . 2]" 1
669 2 20 CYS HB3 2 22 ILE HG13 . . 5.150 4.417 4.206 4.690 . 0 0 "[ . 1 . 2]" 1
670 2 20 CYS HB3 2 22 ILE MD . . 4.050 3.684 3.421 3.953 . 0 0 "[ . 1 . 2]" 1
671 2 22 ILE H 2 22 ILE MD . . 4.450 3.982 3.740 4.097 . 0 0 "[ . 1 . 2]" 1
672 2 22 ILE HG13 2 23 SER H . . 5.320 5.049 4.975 5.096 . 0 0 "[ . 1 . 2]" 1
673 2 22 ILE H 2 22 ILE HB . . 3.860 2.852 2.703 2.947 . 0 0 "[ . 1 . 2]" 1
674 2 22 ILE HB 2 23 SER H . . 4.380 4.022 3.866 4.116 . 0 0 "[ . 1 . 2]" 1
675 2 22 ILE MD 2 22 ILE MG . . 2.900 1.949 1.914 1.980 . 0 0 "[ . 1 . 2]" 1
676 1 27 TYR QD 2 22 ILE MD . . 3.810 2.953 2.853 3.083 . 0 0 "[ . 1 . 2]" 1
677 2 22 ILE HG13 2 27 TYR QD . . 4.830 2.591 2.277 2.863 . 0 0 "[ . 1 . 2]" 1
678 2 22 ILE HG12 2 27 TYR QD . . 4.750 4.164 3.970 4.413 . 0 0 "[ . 1 . 2]" 1
679 2 22 ILE HG12 2 22 ILE MG . . 3.310 2.391 2.335 2.429 . 0 0 "[ . 1 . 2]" 1
680 2 22 ILE HG13 2 22 ILE MG . . 3.240 3.206 3.196 3.220 . 0 0 "[ . 1 . 2]" 1
681 2 22 ILE HA 2 22 ILE MG . . 3.150 2.308 2.282 2.342 . 0 0 "[ . 1 . 2]" 1
682 2 20 CYS HB2 2 22 ILE MG . . 5.040 4.862 4.721 4.940 . 0 0 "[ . 1 . 2]" 1
683 1 25 ARG QD 2 22 ILE MG . . 4.920 3.985 3.573 4.298 . 0 0 "[ . 1 . 2]" 1
684 1 27 TYR QD 2 22 ILE MG . . 4.130 3.818 3.527 4.133 0.003 4 0 "[ . 1 . 2]" 1
685 2 22 ILE MG 2 25 ARG H . . 5.120 4.875 4.676 4.973 . 0 0 "[ . 1 . 2]" 1
686 2 21 GLU HA 2 26 LEU MD2 . . 4.300 3.236 2.990 3.408 . 0 0 "[ . 1 . 2]" 1
687 2 21 GLU HG2 2 24 GLY H . . 4.670 3.477 2.902 3.805 . 0 0 "[ . 1 . 2]" 1
688 2 21 GLU HA 2 27 TYR QD . . 5.010 3.323 3.089 3.688 . 0 0 "[ . 1 . 2]" 1
689 2 21 GLU HA 2 22 ILE H . . 3.110 2.004 1.960 2.089 . 0 0 "[ . 1 . 2]" 1
690 2 22 ILE MG 2 23 SER HA . . 4.710 4.017 3.877 4.195 . 0 0 "[ . 1 . 2]" 1
691 2 23 SER HB2 2 24 GLY H . . 5.270 4.526 4.476 4.586 . 0 0 "[ . 1 . 2]" 1
692 2 23 SER H 2 23 SER HB3 . . 4.050 3.101 2.917 3.150 . 0 0 "[ . 1 . 2]" 1
693 2 22 ILE MG 2 23 SER HB2 . . 4.420 4.370 4.283 4.451 0.031 11 0 "[ . 1 . 2]" 1
694 2 22 ILE MG 2 23 SER HB3 . . 3.610 3.043 2.971 3.204 . 0 0 "[ . 1 . 2]" 1
695 2 25 ARG HB2 2 26 LEU H . . 4.530 4.315 4.180 4.427 . 0 0 "[ . 1 . 2]" 1
696 2 25 ARG HA 2 26 LEU H . . 2.890 2.321 2.267 2.380 . 0 0 "[ . 1 . 2]" 1
697 2 25 ARG HB3 2 26 LEU H . . 4.320 4.019 3.904 4.088 . 0 0 "[ . 1 . 2]" 1
698 2 25 ARG HB3 2 25 ARG HG2 . . 2.450 2.429 2.408 2.453 0.003 9 0 "[ . 1 . 2]" 1
699 2 25 ARG QD 2 26 LEU H . . 4.950 4.660 4.388 4.915 . 0 0 "[ . 1 . 2]" 1
700 2 21 GLU HA 2 26 LEU QB . . 4.830 4.354 4.232 4.449 . 0 0 "[ . 1 . 2]" 1
701 2 26 LEU H 2 26 LEU QB . . 3.130 2.261 2.230 2.306 . 0 0 "[ . 1 . 2]" 1
702 2 26 LEU HA 2 27 TYR H . . 3.150 2.130 2.089 2.158 . 0 0 "[ . 1 . 2]" 1
703 2 22 ILE H 2 26 LEU HA . . 4.380 3.415 3.347 3.525 . 0 0 "[ . 1 . 2]" 1
704 2 26 LEU HA 2 27 TYR QD . . 4.670 3.923 3.738 4.137 . 0 0 "[ . 1 . 2]" 1
705 2 26 LEU H 2 26 LEU HG . . 4.660 4.704 4.690 4.729 0.069 9 0 "[ . 1 . 2]" 1
706 2 26 LEU HG 2 27 TYR H . . 4.800 4.676 4.532 4.812 0.012 7 0 "[ . 1 . 2]" 1
707 2 26 LEU HA 2 26 LEU MD1 . . 4.080 2.097 2.025 2.167 . 0 0 "[ . 1 . 2]" 1
708 2 21 GLU HA 2 26 LEU MD1 . . 4.550 2.828 2.625 3.041 . 0 0 "[ . 1 . 2]" 1
709 2 26 LEU H 2 26 LEU MD1 . . 4.840 4.242 4.191 4.279 . 0 0 "[ . 1 . 2]" 1
710 2 20 CYS H 2 26 LEU MD1 . . 5.060 2.731 2.695 2.762 . 0 0 "[ . 1 . 2]" 1
711 2 26 LEU MD1 2 27 TYR H . . 4.660 2.228 2.084 2.379 . 0 0 "[ . 1 . 2]" 1
712 2 21 GLU HB3 2 26 LEU MD1 . . 4.030 4.103 4.070 4.145 0.115 9 0 "[ . 1 . 2]" 1
713 2 19 VAL HB 2 26 LEU MD1 . . 4.170 1.932 1.811 2.014 . 0 0 "[ . 1 . 2]" 1
714 2 26 LEU QB 2 26 LEU MD1 . . 3.170 2.463 2.407 2.504 . 0 0 "[ . 1 . 2]" 1
715 2 27 TYR HA 2 27 TYR QD . . 4.100 2.816 2.740 2.927 . 0 0 "[ . 1 . 2]" 1
716 2 27 TYR HA 2 28 ARG H . . 3.120 2.078 2.017 2.136 . 0 0 "[ . 1 . 2]" 1
717 2 7 THR MG 2 27 TYR HA . . 4.780 3.490 2.597 3.902 . 0 0 "[ . 1 . 2]" 1
718 2 22 ILE HG13 2 27 TYR HB2 . . 4.940 3.334 3.231 3.414 . 0 0 "[ . 1 . 2]" 1
719 2 22 ILE MD 2 27 TYR HB2 . . 4.760 3.171 2.872 3.384 . 0 0 "[ . 1 . 2]" 1
720 2 20 CYS H 2 27 TYR HB2 . . 4.510 3.294 3.159 3.420 . 0 0 "[ . 1 . 2]" 1
721 2 6 ARG H 2 27 TYR HB3 . . 4.820 4.249 3.851 4.573 . 0 0 "[ . 1 . 2]" 1
722 2 27 TYR HB3 2 28 ARG H . . 4.170 3.759 3.560 3.935 . 0 0 "[ . 1 . 2]" 1
723 2 22 ILE HG13 2 27 TYR HB3 . . 4.770 4.803 4.743 4.848 0.078 4 0 "[ . 1 . 2]" 1
724 2 22 ILE MD 2 27 TYR HB3 . . 4.710 3.799 3.547 3.981 . 0 0 "[ . 1 . 2]" 1
725 2 5 CYS HB2 2 27 TYR HB3 . . 4.390 4.219 4.031 4.407 0.017 1 0 "[ . 1 . 2]" 1
726 2 28 ARG HG2 2 29 LEU H . . 5.010 3.855 3.659 4.076 . 0 0 "[ . 1 . 2]" 1
727 2 28 ARG H 2 28 ARG HG2 . . 4.170 4.111 4.014 4.183 0.013 19 0 "[ . 1 . 2]" 1
728 2 28 ARG HA 2 28 ARG HG3 . . 3.820 2.779 2.710 2.875 . 0 0 "[ . 1 . 2]" 1
729 2 16 LEU MD1 2 28 ARG HG2 . . 4.540 2.226 2.040 2.361 . 0 0 "[ . 1 . 2]" 1
730 2 16 LEU HG 2 28 ARG HG2 . . 4.120 2.677 2.589 2.884 . 0 0 "[ . 1 . 2]" 1
731 2 16 LEU MD1 2 28 ARG HG3 . . 4.400 3.629 3.539 3.712 . 0 0 "[ . 1 . 2]" 1
732 2 28 ARG HG3 2 29 LEU H . . 5.040 4.631 4.526 4.798 . 0 0 "[ . 1 . 2]" 1
733 2 28 ARG H 2 28 ARG HG3 . . 4.200 2.952 2.779 3.081 . 0 0 "[ . 1 . 2]" 1
734 2 28 ARG H 2 28 ARG HD2 . . 4.860 3.959 3.712 4.108 . 0 0 "[ . 1 . 2]" 1
735 2 28 ARG HA 2 29 LEU HG . . 4.700 3.519 3.426 3.692 . 0 0 "[ . 1 . 2]" 1
736 2 16 LEU HG 2 28 ARG QB . . 3.010 2.347 1.988 2.619 . 0 0 "[ . 1 . 2]" 1
737 2 16 LEU MD1 2 28 ARG QB . . 4.760 3.194 2.844 3.439 . 0 0 "[ . 1 . 2]" 1
738 2 16 LEU HG 2 28 ARG HD3 . . 3.820 3.043 2.861 3.273 . 0 0 "[ . 1 . 2]" 1
739 2 29 LEU HA 2 30 CYS H . . 3.210 2.136 2.088 2.174 . 0 0 "[ . 1 . 2]" 1
740 2 5 CYS HA 2 29 LEU HA . . 4.230 3.039 2.838 3.271 . 0 0 "[ . 1 . 2]" 1
741 2 29 LEU H 2 29 LEU HG . . 3.800 2.627 2.508 2.731 . 0 0 "[ . 1 . 2]" 1
742 2 19 VAL HA 2 29 LEU HG . . 4.120 3.087 2.847 3.199 . 0 0 "[ . 1 . 2]" 1
743 1 5 CYS H 2 29 LEU MD2 . . 4.400 4.331 4.228 4.412 0.012 12 0 "[ . 1 . 2]" 1
744 1 5 CYS H 2 29 LEU MD1 . . 4.310 2.793 2.613 2.951 . 0 0 "[ . 1 . 2]" 1
745 1 4 TYR H 2 29 LEU MD1 . . 4.610 2.929 2.814 3.079 . 0 0 "[ . 1 . 2]" 1
746 2 19 VAL HA 2 29 LEU MD1 . . 4.770 4.152 3.843 4.264 . 0 0 "[ . 1 . 2]" 1
747 1 3 CYS HA 2 29 LEU MD1 . . 4.930 4.037 3.921 4.206 . 0 0 "[ . 1 . 2]" 1
748 1 4 TYR HA 2 29 LEU MD1 . . 4.020 2.219 2.001 2.460 . 0 0 "[ . 1 . 2]" 1
749 2 29 LEU HB2 2 29 LEU MD1 . . 3.380 2.400 2.373 2.422 . 0 0 "[ . 1 . 2]" 1
750 1 5 CYS HB3 2 29 LEU MD1 . . 3.940 4.058 4.031 4.078 0.138 20 0 "[ . 1 . 2]" 1
751 2 18 GLY HA2 2 29 LEU HB2 . . 4.770 4.182 3.990 4.419 . 0 0 "[ . 1 . 2]" 1
752 2 18 GLY HA3 2 29 LEU HB2 . . 4.810 2.895 2.628 3.319 . 0 0 "[ . 1 . 2]" 1
753 2 17 SER HB3 2 29 LEU HB2 . . 5.090 4.888 4.311 5.108 0.018 5 0 "[ . 1 . 2]" 1
754 2 18 GLY H 2 29 LEU HB2 . . 4.050 2.588 2.453 2.780 . 0 0 "[ . 1 . 2]" 1
755 2 29 LEU HB2 2 30 CYS H . . 4.930 4.172 4.045 4.272 . 0 0 "[ . 1 . 2]" 1
756 2 17 SER H 2 29 LEU HB2 . . 4.250 3.278 3.131 3.477 . 0 0 "[ . 1 . 2]" 1
757 2 29 LEU HA 2 29 LEU MD1 . . 4.110 3.850 3.826 3.887 . 0 0 "[ . 1 . 2]" 1
758 2 29 LEU HB2 2 29 LEU MD2 . . 3.280 3.191 3.178 3.203 . 0 0 "[ . 1 . 2]" 1
759 2 16 LEU HA 2 30 CYS HA . . 4.020 2.982 2.486 3.207 . 0 0 "[ . 1 . 2]" 1
760 2 17 SER HB3 2 30 CYS HA . . 5.220 4.171 3.690 5.241 0.021 14 0 "[ . 1 . 2]" 1
761 2 30 CYS HA 2 31 CYS H . . 3.380 2.240 2.127 2.318 . 0 0 "[ . 1 . 2]" 1
762 2 3 CYS HB2 2 31 CYS HA . . 5.190 4.696 4.483 4.878 . 0 0 "[ . 1 . 2]" 1
763 2 3 CYS HA 2 31 CYS HA . . 3.400 2.040 1.881 2.209 . 0 0 "[ . 1 . 2]" 1
764 2 4 TYR H 2 31 CYS HA . . 4.190 3.692 3.496 4.061 . 0 0 "[ . 1 . 2]" 1
765 2 31 CYS HB2 2 32 ARG H . . 4.480 4.009 3.894 4.153 . 0 0 "[ . 1 . 2]" 1
766 2 31 CYS HB3 2 32 ARG H . . 4.330 3.580 2.849 3.830 . 0 0 "[ . 1 . 2]" 1
767 2 10 CYS H 2 13 ARG HA . . 3.910 3.503 2.478 3.929 0.019 13 0 "[ . 1 . 2]" 1
768 2 9 ARG H 2 9 ARG QD . . 4.510 4.052 3.834 4.291 . 0 0 "[ . 1 . 2]" 1
769 2 21 GLU H 2 21 GLU HB3 . . 3.780 2.485 2.407 2.550 . 0 0 "[ . 1 . 2]" 1
770 2 2 THR HB 2 32 ARG QB . . 4.540 3.909 2.020 4.201 . 0 0 "[ . 1 . 2]" 1
771 2 32 ARG QB 2 32 ARG HG2 . . 2.770 2.320 2.095 2.406 . 0 0 "[ . 1 . 2]" 1
772 2 32 ARG HA 2 32 ARG HG2 . . 3.860 3.745 3.192 3.953 0.093 13 0 "[ . 1 . 2]" 1
773 2 32 ARG H 2 32 ARG HG2 . . 4.280 2.446 2.108 4.251 . 0 0 "[ . 1 . 2]" 1
774 2 21 GLU HB2 2 26 LEU HA . . 4.620 3.061 2.861 3.356 . 0 0 "[ . 1 . 2]" 1
775 2 21 GLU HG2 2 26 LEU HA . . 4.910 3.262 2.704 4.231 . 0 0 "[ . 1 . 2]" 1
776 2 21 GLU HB3 2 26 LEU HA . . 4.880 4.422 4.267 4.691 . 0 0 "[ . 1 . 2]" 1
777 2 28 ARG HA 2 29 LEU MD2 . . 4.560 3.935 3.839 4.119 . 0 0 "[ . 1 . 2]" 1
778 2 13 ARG HA 2 13 ARG QG . . 3.590 2.705 2.261 3.143 . 0 0 "[ . 1 . 2]" 1
779 2 10 CYS H 2 13 ARG QB . . 5.020 4.666 2.726 5.187 0.167 10 0 "[ . 1 . 2]" 1
780 2 10 CYS H 2 13 ARG QG . . 4.620 4.006 2.665 4.731 0.111 18 0 "[ . 1 . 2]" 1
781 2 9 ARG HA 2 28 ARG HD3 . . 4.350 4.303 3.995 4.413 0.063 9 0 "[ . 1 . 2]" 1
782 2 9 ARG HA 2 28 ARG HD2 . . 3.800 3.907 3.846 3.980 0.180 9 0 "[ . 1 . 2]" 1
783 2 13 ARG QB 2 13 ARG QD . . 3.390 2.549 2.045 2.831 . 0 0 "[ . 1 . 2]" 1
784 2 13 ARG HA 2 13 ARG QD . . 3.750 2.400 1.929 3.894 0.144 17 0 "[ . 1 . 2]" 1
785 2 10 CYS H 2 10 CYS HB3 . . 3.550 3.462 3.322 3.579 0.029 14 0 "[ . 1 . 2]" 1
786 2 10 CYS H 2 10 CYS HB2 . . 4.050 3.761 2.531 3.920 . 0 0 "[ . 1 . 2]" 1
787 2 6 ARG HA 2 7 THR MG . . 4.780 3.361 3.110 3.556 . 0 0 "[ . 1 . 2]" 1
788 2 28 ARG QB 2 28 ARG HE . . 4.270 3.972 3.912 4.010 . 0 0 "[ . 1 . 2]" 1
789 2 32 ARG QB 2 32 ARG QD . . 3.420 2.270 2.061 2.385 . 0 0 "[ . 1 . 2]" 1
790 2 32 ARG HA 2 32 ARG QD . . 4.610 4.436 3.988 4.570 . 0 0 "[ . 1 . 2]" 1
791 2 21 GLU HG2 2 24 GLY HA3 . . 5.500 4.963 4.407 5.319 . 0 0 "[ . 1 . 2]" 1
792 2 21 GLU HG3 2 26 LEU HA . . 5.500 3.528 2.462 4.196 . 0 0 "[ . 1 . 2]" 1
793 2 21 GLU HG3 2 26 LEU MD1 . . 4.360 4.156 3.644 4.408 0.048 16 0 "[ . 1 . 2]" 1
794 2 10 CYS HB2 2 30 CYS HB2 . . 4.830 4.549 2.864 4.886 0.056 11 0 "[ . 1 . 2]" 1
795 2 10 CYS HB2 2 30 CYS HB3 . . 5.490 4.977 3.352 5.238 . 0 0 "[ . 1 . 2]" 1
796 2 10 CYS HB3 2 30 CYS HB3 . . 5.500 4.614 4.283 4.819 . 0 0 "[ . 1 . 2]" 1
797 2 19 VAL MG1 2 28 ARG HD3 . . 4.730 4.094 3.920 4.398 . 0 0 "[ . 1 . 2]" 1
798 2 19 VAL MG1 2 28 ARG HD2 . . 5.280 4.518 4.322 4.823 . 0 0 "[ . 1 . 2]" 1
799 1 3 CYS HB2 2 17 SER HB3 . . 5.220 4.298 3.066 4.752 . 0 0 "[ . 1 . 2]" 1
800 2 5 CYS HA 2 27 TYR HB3 . . 5.400 3.784 3.615 3.967 . 0 0 "[ . 1 . 2]" 1
801 2 5 CYS HA 2 28 ARG QB . . 5.200 5.173 4.917 5.240 0.040 13 0 "[ . 1 . 2]" 1
802 2 25 ARG HB3 2 25 ARG HE . . 4.530 3.914 2.839 4.522 . 0 0 "[ . 1 . 2]" 1
803 2 25 ARG HB2 2 25 ARG HE . . 4.930 3.150 1.842 4.328 . 0 0 "[ . 1 . 2]" 1
804 2 29 LEU HB3 2 29 LEU MD2 . . 2.400 2.414 2.404 2.427 0.027 11 0 "[ . 1 . 2]" 1
805 2 29 LEU HB3 2 29 LEU MD1 . . 2.860 2.342 2.323 2.385 . 0 0 "[ . 1 . 2]" 1
806 1 3 CYS HB2 2 29 LEU HB3 . . 5.160 2.943 2.725 3.117 . 0 0 "[ . 1 . 2]" 1
807 1 3 CYS HB3 2 29 LEU HB3 . . 5.190 3.608 3.264 3.859 . 0 0 "[ . 1 . 2]" 1
808 2 29 LEU HB3 2 30 CYS H . . 4.260 3.426 3.185 3.714 . 0 0 "[ . 1 . 2]" 1
809 2 16 LEU HG 2 30 CYS HA . . 5.420 5.274 4.533 5.454 0.034 15 0 "[ . 1 . 2]" 1
810 2 2 THR H 2 2 THR MG . . 4.160 3.864 3.778 3.934 . 0 0 "[ . 1 . 2]" 1
811 2 17 SER HB3 2 18 GLY H . . 4.800 4.294 4.078 4.379 . 0 0 "[ . 1 . 2]" 1
812 2 16 LEU HB2 2 17 SER H . . 5.100 4.297 4.228 4.360 . 0 0 "[ . 1 . 2]" 1
813 1 4 TYR H 2 29 LEU MD2 . . 4.930 5.030 5.001 5.058 0.128 13 0 "[ . 1 . 2]" 1
814 2 15 SER QB 2 31 CYS H . . 4.870 3.312 2.509 4.066 . 0 0 "[ . 1 . 2]" 1
815 1 31 CYS HB3 2 1 ALA MB . . 4.000 3.275 2.648 3.646 . 0 0 "[ . 1 . 2]" 1
816 2 16 LEU HA 2 16 LEU MD2 . . 4.320 3.007 2.878 3.111 . 0 0 "[ . 1 . 2]" 1
817 2 6 ARG QG 2 30 CYS HB3 . . 4.550 4.078 3.531 4.576 0.026 5 0 "[ . 1 . 2]" 1
818 2 16 LEU HB2 2 16 LEU MD2 . . 3.470 3.201 3.188 3.225 . 0 0 "[ . 1 . 2]" 1
819 2 16 LEU HB3 2 16 LEU MD2 . . 2.460 2.380 2.333 2.445 . 0 0 "[ . 1 . 2]" 1
820 2 5 CYS HA 2 29 LEU MD2 . . 3.490 2.137 2.035 2.282 . 0 0 "[ . 1 . 2]" 1
821 2 29 LEU HA 2 29 LEU MD2 . . 3.070 2.127 2.075 2.188 . 0 0 "[ . 1 . 2]" 1
822 2 27 TYR HB3 2 29 LEU MD2 . . 4.070 3.354 3.167 3.543 . 0 0 "[ . 1 . 2]" 1
823 2 6 ARG H 2 29 LEU MD2 . . 4.100 3.327 3.120 3.545 . 0 0 "[ . 1 . 2]" 1
824 2 5 CYS HB2 2 27 TYR QD . . 4.560 3.294 2.742 3.758 . 0 0 "[ . 1 . 2]" 1
825 2 5 CYS HB3 2 27 TYR QD . . 4.460 2.575 2.129 2.984 . 0 0 "[ . 1 . 2]" 1
826 2 6 ARG HA 2 27 TYR QD . . 4.810 3.937 3.130 4.694 . 0 0 "[ . 1 . 2]" 1
827 2 3 CYS HA 2 31 CYS HB2 . . 5.160 3.278 2.890 4.860 . 0 0 "[ . 1 . 2]" 1
828 2 3 CYS HA 2 31 CYS HB3 . . 4.780 4.267 3.939 4.443 . 0 0 "[ . 1 . 2]" 1
829 1 3 CYS HB2 2 29 LEU HB2 . . 5.030 2.835 2.646 3.122 . 0 0 "[ . 1 . 2]" 1
830 2 18 GLY HA2 2 29 LEU MD1 . . 3.860 3.864 3.692 4.001 0.141 3 0 "[ . 1 . 2]" 1
831 2 6 ARG H 2 29 LEU HA . . 4.790 3.365 3.239 3.735 . 0 0 "[ . 1 . 2]" 1
832 2 16 LEU HG 2 28 ARG HD2 . . 4.360 4.447 4.368 4.506 0.146 9 0 "[ . 1 . 2]" 1
833 2 2 THR MG 2 4 TYR QD . . 4.850 2.875 2.677 3.184 . 0 0 "[ . 1 . 2]" 1
834 2 2 THR MG 2 4 TYR QE . . 3.900 3.856 3.463 3.960 0.060 7 0 "[ . 1 . 2]" 1
835 2 3 CYS HA 2 4 TYR QD . . 4.480 3.432 3.060 3.780 . 0 0 "[ . 1 . 2]" 1
836 2 4 TYR QE 2 32 ARG QB . . 4.500 4.212 3.053 4.553 0.053 18 0 "[ . 1 . 2]" 1
837 2 18 GLY HA2 2 29 LEU HB3 . . 5.500 5.825 5.618 6.066 0.566 16 1 "[ . 1 .+ 2]" 1
838 1 4 TYR HA 2 29 LEU MD2 . . 5.200 4.469 4.221 4.727 . 0 0 "[ . 1 . 2]" 1
839 2 25 ARG HB2 2 27 TYR QE . . 4.120 4.075 3.819 4.137 0.017 20 0 "[ . 1 . 2]" 1
840 2 25 ARG HB3 2 27 TYR QE . . 4.370 2.532 2.283 2.667 . 0 0 "[ . 1 . 2]" 1
841 2 25 ARG QD 2 27 TYR QE . . 4.360 2.841 2.451 3.121 . 0 0 "[ . 1 . 2]" 1
842 2 16 LEU MD2 2 18 GLY H . . 3.770 1.947 1.839 2.041 . 0 0 "[ . 1 . 2]" 1
843 2 16 LEU HG 2 28 ARG HG3 . . 4.090 4.275 4.225 4.336 0.246 20 0 "[ . 1 . 2]" 1
844 2 28 ARG QB 2 28 ARG HG2 . . 2.600 2.230 2.192 2.263 . 0 0 "[ . 1 . 2]" 1
845 2 10 CYS H 2 12 THR MG . . 4.480 4.450 4.064 4.608 0.128 6 0 "[ . 1 . 2]" 1
846 2 16 LEU MD1 2 28 ARG HD2 . . 4.780 3.673 3.505 3.818 . 0 0 "[ . 1 . 2]" 1
847 2 19 VAL MG1 2 28 ARG HA . . 3.640 2.258 2.114 2.388 . 0 0 "[ . 1 . 2]" 1
848 2 19 VAL MG1 2 27 TYR H . . 4.860 4.863 4.767 4.911 0.051 16 0 "[ . 1 . 2]" 1
849 2 20 CYS HB2 2 27 TYR HB3 . . 4.780 4.880 4.859 4.896 0.116 2 0 "[ . 1 . 2]" 1
850 2 21 GLU HA 2 26 LEU HA . . 3.590 2.180 2.036 2.288 . 0 0 "[ . 1 . 2]" 1
851 2 22 ILE HG13 2 27 TYR QE . . 5.080 4.190 3.679 4.643 . 0 0 "[ . 1 . 2]" 1
852 2 26 LEU MD1 2 28 ARG HH11 . . 4.390 4.456 4.402 4.491 0.101 14 0 "[ . 1 . 2]" 1
853 2 4 TYR QE 2 32 ARG QD . . 4.500 3.499 2.238 4.510 0.010 10 0 "[ . 1 . 2]" 1
854 2 21 GLU H 2 21 GLU HG3 . . 5.000 4.716 4.560 4.830 . 0 0 "[ . 1 . 2]" 1
855 1 27 TYR QD 2 20 CYS HB3 . . 5.500 5.177 4.714 5.470 . 0 0 "[ . 1 . 2]" 1
856 2 10 CYS HB3 2 30 CYS HB2 . . 4.650 4.677 3.644 4.827 0.177 4 0 "[ . 1 . 2]" 1
857 2 2 THR MG 2 32 ARG QB . . 4.730 4.528 2.318 4.764 0.034 10 0 "[ . 1 . 2]" 1
858 2 19 VAL MG1 2 26 LEU QB . . 4.460 4.525 4.451 4.565 0.105 20 0 "[ . 1 . 2]" 1
859 2 19 VAL MG1 2 26 LEU HG . . 4.410 3.680 3.516 3.870 . 0 0 "[ . 1 . 2]" 1
860 2 21 GLU HG2 2 26 LEU MD2 . . 4.630 3.047 2.607 3.684 . 0 0 "[ . 1 . 2]" 1
861 2 21 GLU HG3 2 26 LEU MD2 . . 4.090 2.377 2.248 2.537 . 0 0 "[ . 1 . 2]" 1
862 2 19 VAL HB 2 26 LEU QB . . 5.340 5.135 4.870 5.297 . 0 0 "[ . 1 . 2]" 1
863 2 21 GLU HB2 2 21 GLU HG3 . . 2.570 2.347 2.290 2.440 . 0 0 "[ . 1 . 2]" 1
864 2 21 GLU HG2 2 26 LEU MD1 . . 4.690 4.315 3.992 4.798 0.108 19 0 "[ . 1 . 2]" 1
865 2 21 GLU HB3 2 26 LEU MD2 . . 4.010 3.324 3.225 3.480 . 0 0 "[ . 1 . 2]" 1
866 1 27 TYR QD 2 20 CYS HB2 . . 5.070 4.892 4.572 5.095 0.025 9 0 "[ . 1 . 2]" 1
867 2 21 GLU HA 2 25 ARG H . . 4.790 4.428 4.189 4.804 0.014 19 0 "[ . 1 . 2]" 1
868 2 22 ILE H 2 26 LEU MD2 . . 5.030 4.676 4.310 4.934 . 0 0 "[ . 1 . 2]" 1
869 2 2 THR MG 2 32 ARG QD . . 4.610 2.839 2.187 3.509 . 0 0 "[ . 1 . 2]" 1
870 2 5 CYS HB3 2 29 LEU MD2 . . 3.250 3.176 2.996 3.269 0.019 11 0 "[ . 1 . 2]" 1
871 2 22 ILE H 2 22 ILE HG13 . . 4.780 2.710 2.496 2.842 . 0 0 "[ . 1 . 2]" 1
872 2 8 GLY HA2 2 28 ARG HH11 . . 5.230 2.202 1.764 2.712 . 0 0 "[ . 1 . 2]" 1
873 2 28 ARG QB 2 28 ARG HH11 . . 5.500 3.458 3.313 3.613 . 0 0 "[ . 1 . 2]" 1
874 2 2 THR H 2 32 ARG H . . 4.420 3.185 2.904 3.626 . 0 0 "[ . 1 . 2]" 1
875 2 2 THR H 2 31 CYS HA . . 5.500 4.853 4.570 5.064 . 0 0 "[ . 1 . 2]" 1
876 1 17 SER HA 2 2 THR H . . 5.500 5.439 5.210 5.544 0.044 8 0 "[ . 1 . 2]" 1
877 2 1 ALA HA 2 2 THR H . . 3.250 2.224 2.120 2.364 . 0 0 "[ . 1 . 2]" 1
878 2 2 THR H 2 32 ARG QD . . 5.500 4.796 4.127 5.520 0.020 14 0 "[ . 1 . 2]" 1
879 2 2 THR H 2 32 ARG HG2 . . 5.430 3.859 2.618 5.471 0.041 6 0 "[ . 1 . 2]" 1
880 1 17 SER HB2 2 3 CYS H . . 4.400 2.501 2.125 3.574 . 0 0 "[ . 1 . 2]" 1
881 2 2 THR HA 2 3 CYS H . . 3.250 2.124 2.042 2.187 . 0 0 "[ . 1 . 2]" 1
882 1 18 GLY HA2 2 3 CYS H . . 4.850 4.109 3.873 4.604 . 0 0 "[ . 1 . 2]" 1
883 2 2 THR MG 2 3 CYS H . . 3.760 3.029 2.918 3.095 . 0 0 "[ . 1 . 2]" 1
884 2 1 ALA MB 2 3 CYS H . . 4.890 4.414 4.306 4.536 . 0 0 "[ . 1 . 2]" 1
885 2 2 THR H 2 32 ARG QB . . 5.330 4.607 3.979 5.369 0.039 12 0 "[ . 1 . 2]" 1
886 2 5 CYS H 2 5 CYS HB3 . . 4.160 3.567 3.529 3.606 . 0 0 "[ . 1 . 2]" 1
887 2 4 TYR HB3 2 5 CYS H . . 4.340 3.732 3.621 3.817 . 0 0 "[ . 1 . 2]" 1
888 2 3 CYS H 2 4 TYR H . . 5.300 4.435 4.377 4.477 . 0 0 "[ . 1 . 2]" 1
889 2 4 TYR H 2 5 CYS H . . 5.200 4.244 4.184 4.304 . 0 0 "[ . 1 . 2]" 1
890 2 4 TYR H 2 4 TYR QE . . 5.500 4.655 4.509 4.818 . 0 0 "[ . 1 . 2]" 1
891 2 4 TYR H 2 29 LEU HA . . 5.380 3.932 3.717 4.211 . 0 0 "[ . 1 . 2]" 1
892 2 4 TYR H 2 4 TYR HB3 . . 4.100 3.603 3.527 3.672 . 0 0 "[ . 1 . 2]" 1
893 2 3 CYS HB2 2 4 TYR H . . 4.330 3.515 3.307 3.700 . 0 0 "[ . 1 . 2]" 1
894 2 17 SER H 2 18 GLY H . . 3.450 2.092 1.983 2.202 . 0 0 "[ . 1 . 2]" 1
895 2 16 LEU HA 2 18 GLY H . . 4.200 3.550 3.393 3.716 . 0 0 "[ . 1 . 2]" 1
896 2 18 GLY H 2 29 LEU MD1 . . 4.940 3.965 3.712 4.166 . 0 0 "[ . 1 . 2]" 1
897 2 18 GLY H 2 29 LEU HB3 . . 4.590 4.262 4.097 4.438 . 0 0 "[ . 1 . 2]" 1
898 2 18 GLY H 2 29 LEU HG . . 5.110 4.094 3.949 4.256 . 0 0 "[ . 1 . 2]" 1
899 2 18 GLY H 2 19 VAL H . . 5.010 4.252 4.225 4.279 . 0 0 "[ . 1 . 2]" 1
900 2 18 GLY HA3 2 19 VAL H . . 3.490 2.740 2.711 2.766 . 0 0 "[ . 1 . 2]" 1
901 2 19 VAL H 2 29 LEU HB2 . . 5.220 4.875 4.718 5.052 . 0 0 "[ . 1 . 2]" 1
902 2 19 VAL H 2 29 LEU HG . . 5.390 4.111 3.932 4.325 . 0 0 "[ . 1 . 2]" 1
903 2 19 VAL H 2 29 LEU MD2 . . 5.500 5.346 5.204 5.507 0.007 16 0 "[ . 1 . 2]" 1
904 2 3 CYS H 2 31 CYS HA . . 5.380 4.694 4.580 4.887 . 0 0 "[ . 1 . 2]" 1
905 2 3 CYS H 2 32 ARG H . . 5.500 4.806 4.640 4.920 . 0 0 "[ . 1 . 2]" 1
906 2 5 CYS H 2 6 ARG H . . 5.240 4.319 4.175 4.487 . 0 0 "[ . 1 . 2]" 1
907 2 6 ARG H 2 30 CYS H . . 5.430 4.204 3.899 4.754 . 0 0 "[ . 1 . 2]" 1
908 2 5 CYS HA 2 6 ARG H . . 3.250 2.197 2.130 2.281 . 0 0 "[ . 1 . 2]" 1
909 2 5 CYS HB2 2 6 ARG H . . 4.470 4.293 4.112 4.410 . 0 0 "[ . 1 . 2]" 1
910 2 6 ARG H 2 6 ARG QG . . 3.960 2.257 2.002 3.118 . 0 0 "[ . 1 . 2]" 1
911 2 6 ARG HA 2 7 THR H . . 3.090 2.177 2.011 2.385 . 0 0 "[ . 1 . 2]" 1
912 2 6 ARG QG 2 7 THR H . . 4.390 4.261 3.424 4.511 0.121 9 0 "[ . 1 . 2]" 1
913 2 6 ARG HB3 2 7 THR H . . 4.200 3.660 2.790 3.887 . 0 0 "[ . 1 . 2]" 1
914 2 6 ARG HB2 2 7 THR H . . 3.920 2.805 2.360 3.384 . 0 0 "[ . 1 . 2]" 1
915 2 6 ARG QD 2 7 THR H . . 4.790 4.375 3.910 4.844 0.054 11 0 "[ . 1 . 2]" 1
916 2 6 ARG H 2 8 GLY H . . 5.500 4.865 4.415 5.124 . 0 0 "[ . 1 . 2]" 1
917 2 8 GLY H 2 28 ARG H . . 5.500 4.196 3.791 4.526 . 0 0 "[ . 1 . 2]" 1
918 2 7 THR H 2 8 GLY H . . 3.430 2.523 2.327 2.820 . 0 0 "[ . 1 . 2]" 1
919 2 8 GLY H 2 28 ARG HH11 . . 5.500 3.830 3.440 4.106 . 0 0 "[ . 1 . 2]" 1
920 2 6 ARG QD 2 8 GLY H . . 4.900 3.133 2.639 4.423 . 0 0 "[ . 1 . 2]" 1
921 2 8 GLY H 2 28 ARG HD3 . . 5.500 5.592 5.541 5.630 0.130 3 0 "[ . 1 . 2]" 1
922 2 7 THR MG 2 8 GLY H . . 4.520 4.189 4.078 4.323 . 0 0 "[ . 1 . 2]" 1
923 2 6 ARG QG 2 8 GLY H . . 4.680 3.679 1.907 4.370 . 0 0 "[ . 1 . 2]" 1
924 2 6 ARG HB2 2 8 GLY H . . 3.910 2.482 2.260 3.011 . 0 0 "[ . 1 . 2]" 1
925 2 9 ARG H 2 10 CYS H . . 4.720 4.472 4.369 4.588 . 0 0 "[ . 1 . 2]" 1
926 2 9 ARG H 2 28 ARG HH11 . . 5.500 5.041 4.789 5.232 . 0 0 "[ . 1 . 2]" 1
927 2 9 ARG H 2 9 ARG HB3 . . 3.290 3.023 2.783 3.287 . 0 0 "[ . 1 . 2]" 1
928 2 9 ARG HB2 2 10 CYS H . . 3.680 2.246 2.066 2.408 . 0 0 "[ . 1 . 2]" 1
929 2 17 SER H 2 31 CYS H . . 5.270 4.601 3.867 4.976 . 0 0 "[ . 1 . 2]" 1
930 2 23 SER H 2 25 ARG H . . 5.230 4.226 4.140 4.316 . 0 0 "[ . 1 . 2]" 1
931 2 17 SER H 2 30 CYS HA . . 4.490 2.990 2.681 3.282 . 0 0 "[ . 1 . 2]" 1
932 2 22 ILE MG 2 23 SER H . . 3.640 2.628 2.414 2.790 . 0 0 "[ . 1 . 2]" 1
933 2 22 ILE HA 2 23 SER H . . 2.950 2.093 1.993 2.222 . 0 0 "[ . 1 . 2]" 1
934 2 16 LEU HA 2 17 SER H . . 3.250 2.010 1.925 2.070 . 0 0 "[ . 1 . 2]" 1
935 2 24 GLY H 2 25 ARG H . . 3.560 2.488 2.348 2.734 . 0 0 "[ . 1 . 2]" 1
936 2 22 ILE H 2 25 ARG H . . 3.900 3.094 2.852 3.549 . 0 0 "[ . 1 . 2]" 1
937 2 25 ARG H 2 27 TYR QD . . 5.500 4.717 4.497 4.959 . 0 0 "[ . 1 . 2]" 1
938 2 22 ILE HA 2 25 ARG H . . 4.840 4.511 4.355 4.755 . 0 0 "[ . 1 . 2]" 1
939 2 23 SER HB3 2 25 ARG H . . 5.280 5.178 4.959 5.380 0.100 6 0 "[ . 1 . 2]" 1
940 2 25 ARG H 2 25 ARG HB3 . . 3.690 2.531 2.425 2.665 . 0 0 "[ . 1 . 2]" 1
941 2 25 ARG H 2 25 ARG HB2 . . 3.650 2.794 2.587 2.934 . 0 0 "[ . 1 . 2]" 1
942 2 21 GLU HG3 2 25 ARG H . . 4.900 4.470 3.679 4.914 0.014 6 0 "[ . 1 . 2]" 1
943 2 21 GLU HG2 2 25 ARG H . . 5.340 3.342 2.951 4.134 . 0 0 "[ . 1 . 2]" 1
944 2 25 ARG H 2 25 ARG QD . . 5.160 4.611 4.341 4.834 . 0 0 "[ . 1 . 2]" 1
945 2 23 SER H 2 24 GLY H . . 3.770 2.866 2.742 2.978 . 0 0 "[ . 1 . 2]" 1
946 2 22 ILE H 2 24 GLY H . . 4.760 3.913 3.725 4.209 . 0 0 "[ . 1 . 2]" 1
947 2 23 SER HB3 2 24 GLY H . . 4.860 4.698 4.635 4.738 . 0 0 "[ . 1 . 2]" 1
948 2 21 GLU HG3 2 24 GLY H . . 4.700 4.533 4.213 4.727 0.027 18 0 "[ . 1 . 2]" 1
949 2 22 ILE HB 2 24 GLY H . . 5.450 5.309 5.232 5.406 . 0 0 "[ . 1 . 2]" 1
950 2 22 ILE MG 2 24 GLY H . . 5.250 4.699 4.539 4.823 . 0 0 "[ . 1 . 2]" 1
951 2 22 ILE HA 2 24 GLY H . . 4.110 3.721 3.570 3.866 . 0 0 "[ . 1 . 2]" 1
952 2 23 SER HA 2 24 GLY H . . 3.390 2.910 2.824 2.971 . 0 0 "[ . 1 . 2]" 1
953 2 22 ILE H 2 22 ILE MG . . 4.190 3.906 3.848 3.940 . 0 0 "[ . 1 . 2]" 1
954 2 22 ILE H 2 22 ILE HG12 . . 4.450 3.870 3.741 3.968 . 0 0 "[ . 1 . 2]" 1
955 2 22 ILE H 2 25 ARG HB2 . . 5.320 5.087 4.924 5.328 0.008 19 0 "[ . 1 . 2]" 1
956 2 21 GLU HB3 2 22 ILE H . . 4.720 4.190 4.096 4.281 . 0 0 "[ . 1 . 2]" 1
957 2 21 GLU HG3 2 22 ILE H . . 4.380 4.185 3.477 4.494 0.114 14 0 "[ . 1 . 2]" 1
958 2 21 GLU HG2 2 22 ILE H . . 4.970 2.995 2.800 3.422 . 0 0 "[ . 1 . 2]" 1
959 2 22 ILE H 2 27 TYR QD . . 4.250 2.556 2.215 2.889 . 0 0 "[ . 1 . 2]" 1
960 2 22 ILE H 2 23 SER H . . 5.080 4.164 4.075 4.299 . 0 0 "[ . 1 . 2]" 1
961 2 21 GLU H 2 26 LEU HA . . 5.500 4.618 4.503 4.775 . 0 0 "[ . 1 . 2]" 1
962 2 20 CYS HB2 2 21 GLU H . . 4.550 3.473 3.323 3.589 . 0 0 "[ . 1 . 2]" 1
963 2 21 GLU H 2 22 ILE HG13 . . 5.500 3.879 3.784 3.996 . 0 0 "[ . 1 . 2]" 1
964 2 21 GLU H 2 26 LEU MD2 . . 5.130 4.200 4.127 4.273 . 0 0 "[ . 1 . 2]" 1
965 2 21 GLU H 2 21 GLU HB2 . . 3.660 2.841 2.751 2.923 . 0 0 "[ . 1 . 2]" 1
966 2 21 GLU H 2 21 GLU HG2 . . 4.880 4.502 4.366 4.573 . 0 0 "[ . 1 . 2]" 1
967 2 19 VAL H 2 20 CYS H . . 4.480 4.264 4.216 4.341 . 0 0 "[ . 1 . 2]" 1
968 2 20 CYS H 2 27 TYR QD . . 5.250 4.938 4.775 5.130 . 0 0 "[ . 1 . 2]" 1
969 2 20 CYS H 2 26 LEU HA . . 4.720 4.620 4.533 4.696 . 0 0 "[ . 1 . 2]" 1
970 2 20 CYS H 2 29 LEU MD1 . . 5.050 4.830 4.720 4.945 . 0 0 "[ . 1 . 2]" 1
971 2 20 CYS H 2 29 LEU MD2 . . 4.320 4.415 4.393 4.435 0.115 11 0 "[ . 1 . 2]" 1
972 2 19 VAL MG1 2 20 CYS H . . 3.950 3.458 3.374 3.566 . 0 0 "[ . 1 . 2]" 1
973 2 20 CYS H 2 29 LEU HG . . 4.810 4.159 4.038 4.298 . 0 0 "[ . 1 . 2]" 1
974 2 20 CYS H 2 26 LEU QB . . 5.500 5.427 5.304 5.506 0.006 9 0 "[ . 1 . 2]" 1
975 2 20 CYS H 2 26 LEU HG . . 5.360 5.489 5.450 5.545 0.185 4 0 "[ . 1 . 2]" 1
976 2 20 CYS H 2 27 TYR HB3 . . 4.570 4.106 4.022 4.238 . 0 0 "[ . 1 . 2]" 1
977 2 20 CYS H 2 28 ARG HA . . 4.240 3.564 3.467 3.642 . 0 0 "[ . 1 . 2]" 1
978 2 25 ARG H 2 25 ARG HG3 . . 4.440 4.514 4.466 4.547 0.107 20 0 "[ . 1 . 2]" 1
979 2 22 ILE H 2 27 TYR HB2 . . 5.500 4.255 3.952 4.555 . 0 0 "[ . 1 . 2]" 1
980 2 22 ILE H 2 26 LEU H . . 5.500 4.971 4.885 5.071 . 0 0 "[ . 1 . 2]" 1
981 2 21 GLU HA 2 26 LEU H . . 5.350 4.710 4.601 4.800 . 0 0 "[ . 1 . 2]" 1
982 2 25 ARG HG3 2 26 LEU H . . 4.100 3.231 2.964 3.528 . 0 0 "[ . 1 . 2]" 1
983 2 20 CYS H 2 27 TYR H . . 3.950 3.121 3.020 3.234 . 0 0 "[ . 1 . 2]" 1
984 2 26 LEU H 2 27 TYR H . . 4.880 4.344 4.283 4.390 . 0 0 "[ . 1 . 2]" 1
985 2 21 GLU HA 2 27 TYR H . . 4.140 2.594 2.484 2.797 . 0 0 "[ . 1 . 2]" 1
986 2 27 TYR H 2 27 TYR HB2 . . 3.810 2.248 2.190 2.346 . 0 0 "[ . 1 . 2]" 1
987 2 26 LEU QB 2 27 TYR H . . 4.220 3.651 3.468 3.751 . 0 0 "[ . 1 . 2]" 1
988 2 19 VAL HB 2 27 TYR H . . 5.500 4.612 4.225 4.853 . 0 0 "[ . 1 . 2]" 1
989 2 22 ILE HG13 2 27 TYR H . . 5.500 4.072 3.984 4.181 . 0 0 "[ . 1 . 2]" 1
990 2 25 ARG HG2 2 26 LEU H . . 3.760 2.871 2.578 3.107 . 0 0 "[ . 1 . 2]" 1
991 2 26 LEU MD2 2 27 TYR H . . 4.050 3.982 3.841 4.059 0.009 10 0 "[ . 1 . 2]" 1
992 2 7 THR MG 2 27 TYR H . . 5.500 5.129 4.100 5.551 0.051 16 0 "[ . 1 . 2]" 1
993 2 22 ILE HB 2 27 TYR H . . 5.500 5.181 4.956 5.503 0.003 4 0 "[ . 1 . 2]" 1
994 2 6 ARG H 2 28 ARG H . . 4.080 3.260 3.092 3.438 . 0 0 "[ . 1 . 2]" 1
995 2 28 ARG H 2 29 LEU H . . 4.910 4.466 4.421 4.522 . 0 0 "[ . 1 . 2]" 1
996 2 5 CYS HA 2 28 ARG H . . 5.500 4.643 4.491 4.968 . 0 0 "[ . 1 . 2]" 1
997 2 6 ARG HA 2 28 ARG H . . 5.500 4.675 4.487 4.854 . 0 0 "[ . 1 . 2]" 1
998 2 28 ARG H 2 28 ARG HD3 . . 5.150 4.896 4.789 5.020 . 0 0 "[ . 1 . 2]" 1
999 2 27 TYR HB2 2 28 ARG H . . 4.470 4.384 4.307 4.454 . 0 0 "[ . 1 . 2]" 1
1000 2 7 THR MG 2 28 ARG H . . 5.500 4.674 3.928 5.021 . 0 0 "[ . 1 . 2]" 1
1001 2 28 ARG H 2 28 ARG QB . . 3.320 2.303 2.226 2.363 . 0 0 "[ . 1 . 2]" 1
1002 2 17 SER H 2 29 LEU H . . 5.300 3.728 3.628 3.939 . 0 0 "[ . 1 . 2]" 1
1003 2 18 GLY H 2 29 LEU H . . 4.040 2.895 2.769 2.999 . 0 0 "[ . 1 . 2]" 1
1004 2 28 ARG HA 2 29 LEU H . . 3.260 2.189 2.139 2.232 . 0 0 "[ . 1 . 2]" 1
1005 2 19 VAL HA 2 29 LEU H . . 4.040 3.244 3.052 3.346 . 0 0 "[ . 1 . 2]" 1
1006 2 16 LEU HB2 2 29 LEU H . . 5.500 5.508 5.401 5.570 0.070 14 0 "[ . 1 . 2]" 1
1007 2 28 ARG QB 2 29 LEU H . . 3.960 2.705 2.554 2.903 . 0 0 "[ . 1 . 2]" 1
1008 2 29 LEU H 2 29 LEU HB2 . . 3.870 2.552 2.497 2.602 . 0 0 "[ . 1 . 2]" 1
1009 2 16 LEU MD1 2 29 LEU H . . 4.640 4.536 4.381 4.632 . 0 0 "[ . 1 . 2]" 1
1010 2 29 LEU H 2 29 LEU MD2 . . 3.810 3.376 3.286 3.488 . 0 0 "[ . 1 . 2]" 1
1011 2 29 LEU H 2 29 LEU MD1 . . 4.550 3.911 3.843 4.001 . 0 0 "[ . 1 . 2]" 1
1012 2 4 TYR H 2 30 CYS H . . 4.110 3.098 2.868 3.313 . 0 0 "[ . 1 . 2]" 1
1013 2 29 LEU H 2 30 CYS H . . 5.150 4.266 3.959 4.352 . 0 0 "[ . 1 . 2]" 1
1014 2 3 CYS HA 2 30 CYS H . . 5.440 4.699 4.405 4.907 . 0 0 "[ . 1 . 2]" 1
1015 2 4 TYR QD 2 30 CYS H . . 5.500 4.549 4.148 4.828 . 0 0 "[ . 1 . 2]" 1
1016 2 5 CYS HA 2 30 CYS H . . 4.840 4.363 3.994 4.691 . 0 0 "[ . 1 . 2]" 1
1017 2 29 LEU HG 2 30 CYS H . . 5.500 5.253 5.200 5.321 . 0 0 "[ . 1 . 2]" 1
1018 2 28 ARG QB 2 30 CYS H . . 5.490 4.568 3.911 4.834 . 0 0 "[ . 1 . 2]" 1
1019 2 3 CYS HB3 2 30 CYS H . . 5.260 4.357 3.921 4.685 . 0 0 "[ . 1 . 2]" 1
1020 2 30 CYS H 2 30 CYS HB3 . . 4.020 3.346 2.995 3.721 . 0 0 "[ . 1 . 2]" 1
1021 2 3 CYS HA 2 31 CYS H . . 5.500 4.695 4.533 4.916 . 0 0 "[ . 1 . 2]" 1
1022 2 16 LEU HA 2 31 CYS H . . 4.980 4.771 3.945 5.020 0.040 15 0 "[ . 1 . 2]" 1
1023 2 17 SER HB3 2 31 CYS H . . 5.500 4.253 3.786 5.259 . 0 0 "[ . 1 . 2]" 1
1024 2 30 CYS HB2 2 31 CYS H . . 4.740 3.031 2.805 4.095 . 0 0 "[ . 1 . 2]" 1
1025 2 31 CYS H 2 31 CYS HB2 . . 4.040 2.994 2.568 3.143 . 0 0 "[ . 1 . 2]" 1
1026 2 31 CYS H 2 31 CYS HB3 . . 4.130 2.858 2.713 3.717 . 0 0 "[ . 1 . 2]" 1
1027 2 30 CYS HB3 2 31 CYS H . . 5.340 3.914 3.260 4.097 . 0 0 "[ . 1 . 2]" 1
1028 1 1 ALA MB 2 31 CYS H . . 5.500 4.277 4.001 4.668 . 0 0 "[ . 1 . 2]" 1
1029 2 31 CYS HA 2 32 ARG H . . 3.530 2.247 2.074 2.439 . 0 0 "[ . 1 . 2]" 1
1030 2 3 CYS HA 2 32 ARG H . . 4.270 3.295 3.126 3.536 . 0 0 "[ . 1 . 2]" 1
1031 2 2 THR HB 2 32 ARG H . . 5.300 3.531 3.018 3.867 . 0 0 "[ . 1 . 2]" 1
1032 2 32 ARG H 2 32 ARG QD . . 5.500 4.030 3.876 4.288 . 0 0 "[ . 1 . 2]" 1
1033 2 1 ALA MB 2 32 ARG H . . 5.030 4.903 4.341 5.056 0.026 9 0 "[ . 1 . 2]" 1
1034 2 3 CYS HB3 2 32 ARG H . . 5.500 5.205 4.834 5.494 . 0 0 "[ . 1 . 2]" 1
1035 2 25 ARG HA 2 25 ARG HE . . 5.500 4.447 3.886 5.061 . 0 0 "[ . 1 . 2]" 1
1036 2 7 THR HB 2 25 ARG HE . . 5.500 4.172 2.609 5.527 0.027 2 0 "[ . 1 . 2]" 1
1037 2 7 THR MG 2 25 ARG HE . . 5.390 3.449 1.726 4.440 . 0 0 "[ . 1 . 2]" 1
1038 2 9 ARG HB2 2 9 ARG HE . . 5.010 4.014 2.407 4.549 . 0 0 "[ . 1 . 2]" 1
1039 2 9 ARG HB3 2 9 ARG HE . . 4.720 3.872 2.070 4.534 . 0 0 "[ . 1 . 2]" 1
1040 2 13 ARG QB 2 13 ARG HE . . 4.650 2.638 1.768 4.111 . 0 0 "[ . 1 . 2]" 1
1041 2 13 ARG HA 2 13 ARG HE . . 5.500 3.939 2.733 4.930 . 0 0 "[ . 1 . 2]" 1
1042 2 16 LEU MD1 2 28 ARG HE . . 4.950 2.364 2.019 2.869 . 0 0 "[ . 1 . 2]" 1
1043 2 2 THR MG 2 32 ARG HE . . 5.500 4.432 2.907 5.411 . 0 0 "[ . 1 . 2]" 1
1044 2 32 ARG QB 2 32 ARG HE . . 4.310 2.553 1.878 3.933 . 0 0 "[ . 1 . 2]" 1
1045 1 29 LEU MD1 2 3 CYS H . . 5.140 4.003 3.847 4.212 . 0 0 "[ . 1 . 2]" 1
1046 2 7 THR H 2 27 TYR QD . . 5.320 4.424 4.067 4.759 . 0 0 "[ . 1 . 2]" 1
1047 2 10 CYS H 2 13 ARG QD . . 4.720 2.977 2.354 4.077 . 0 0 "[ . 1 . 2]" 1
1048 2 17 SER H 2 29 LEU HB3 . . 4.670 4.384 4.275 4.526 . 0 0 "[ . 1 . 2]" 1
1049 2 22 ILE MD 2 23 SER H . . 5.040 5.114 5.068 5.164 0.124 4 0 "[ . 1 . 2]" 1
1050 2 6 ARG H 2 27 TYR HA . . 5.040 4.127 3.715 4.452 . 0 0 "[ . 1 . 2]" 1
1051 2 6 ARG H 2 7 THR H . . 5.020 4.441 4.276 4.550 . 0 0 "[ . 1 . 2]" 1
1052 2 19 VAL H 2 29 LEU MD1 . . 3.830 3.826 3.715 3.864 0.034 18 0 "[ . 1 . 2]" 1
1053 2 26 LEU H 2 26 LEU MD2 . . 4.570 3.850 3.679 4.033 . 0 0 "[ . 1 . 2]" 1
1054 2 22 ILE MD 2 27 TYR H . . 5.500 4.623 4.383 4.776 . 0 0 "[ . 1 . 2]" 1
1055 2 26 LEU MD1 2 28 ARG HE . . 5.500 4.679 4.326 5.091 . 0 0 "[ . 1 . 2]" 1
1056 2 29 LEU H 2 29 LEU HB3 . . 4.180 3.663 3.631 3.695 . 0 0 "[ . 1 . 2]" 1
1057 1 29 LEU MD1 2 30 CYS H . . 5.060 4.503 4.192 4.710 . 0 0 "[ . 1 . 2]" 1
1058 2 29 LEU MD2 2 30 CYS H . . 3.970 3.836 3.727 3.960 . 0 0 "[ . 1 . 2]" 1
1059 2 15 SER HA 2 31 CYS H . . 5.480 5.171 4.269 5.584 0.104 7 0 "[ . 1 . 2]" 1
1060 2 18 GLY H 2 19 VAL MG2 . . 5.500 4.893 4.686 5.217 . 0 0 "[ . 1 . 2]" 1
1061 2 2 THR H 2 31 CYS HB3 . . 5.500 5.383 3.864 5.536 0.036 5 0 "[ . 1 . 2]" 1
1062 2 6 ARG H 2 27 TYR QD . . 5.040 3.999 3.562 4.384 . 0 0 "[ . 1 . 2]" 1
1063 2 20 CYS H 2 28 ARG QB . . 5.500 5.440 5.356 5.515 0.015 14 0 "[ . 1 . 2]" 1
1064 2 21 GLU H 2 22 ILE HG12 . . 5.500 4.494 4.359 4.635 . 0 0 "[ . 1 . 2]" 1
1065 2 21 GLU H 2 22 ILE MD . . 5.500 4.920 4.812 5.059 . 0 0 "[ . 1 . 2]" 1
1066 2 27 TYR H 2 27 TYR QE . . 5.210 4.902 4.739 5.074 . 0 0 "[ . 1 . 2]" 1
1067 2 6 ARG H 2 6 ARG HB3 . . 3.740 3.349 3.041 3.665 . 0 0 "[ . 1 . 2]" 1
1068 1 29 LEU MD1 2 3 CYS HB2 . . 3.490 2.463 2.321 2.648 . 0 0 "[ . 1 . 2]" 1
1069 1 29 LEU MD2 2 3 CYS HB2 . . 4.590 4.333 4.138 4.606 0.016 6 0 "[ . 1 . 2]" 1
1070 1 29 LEU MD2 2 5 CYS HB3 . . 4.060 3.967 3.894 4.055 . 0 0 "[ . 1 . 2]" 1
1071 1 22 ILE MD 2 5 CYS HB2 . . 4.340 3.589 3.106 4.079 . 0 0 "[ . 1 . 2]" 1
1072 1 29 LEU MD1 2 5 CYS HA . . 4.210 3.270 3.159 3.361 . 0 0 "[ . 1 . 2]" 1
1073 1 29 LEU MD2 2 5 CYS HA . . 3.920 3.944 3.853 3.980 0.060 17 0 "[ . 1 . 2]" 1
1074 1 5 CYS HB3 2 20 CYS HB3 . . 4.190 3.714 3.521 3.895 . 0 0 "[ . 1 . 2]" 1
1075 1 20 CYS HB2 2 5 CYS HB3 . . 4.180 3.950 3.770 4.039 . 0 0 "[ . 1 . 2]" 1
1076 1 20 CYS HB3 2 5 CYS HB2 . . 3.950 2.240 1.976 2.421 . 0 0 "[ . 1 . 2]" 1
1077 1 22 ILE MG 2 22 ILE MD . . 3.970 2.985 2.451 3.298 . 0 0 "[ . 1 . 2]" 1
1078 1 22 ILE MD 2 22 ILE MD . . 3.870 1.844 1.796 1.905 . 0 0 "[ . 1 . 2]" 1
1079 1 29 LEU MD2 2 29 LEU MD2 . . 3.410 1.984 1.902 2.039 . 0 0 "[ . 1 . 2]" 1
1080 1 5 CYS HB3 2 22 ILE MD . . 4.410 3.266 3.041 3.657 . 0 0 "[ . 1 . 2]" 1
1081 1 22 ILE MD 2 22 ILE HG13 . . 4.220 3.823 3.631 4.020 . 0 0 "[ . 1 . 2]" 1
1082 1 22 ILE MD 2 22 ILE HG12 . . 4.220 4.213 4.070 4.279 0.059 13 0 "[ . 1 . 2]" 1
1083 1 27 TYR QE 2 22 ILE MD . . 3.810 2.652 2.398 2.734 . 0 0 "[ . 1 . 2]" 1
1084 1 27 TYR QE 2 22 ILE MG . . 3.510 2.410 2.271 2.567 . 0 0 "[ . 1 . 2]" 1
1085 1 1 ALA MB 2 31 CYS HB2 . . 4.190 4.054 2.954 4.242 0.052 19 0 "[ . 1 . 2]" 1
1086 1 22 ILE MG 2 22 ILE MG . . 3.680 2.282 2.142 2.518 . 0 0 "[ . 1 . 2]" 1
1087 1 22 ILE MD 2 22 ILE HB . . 4.410 2.903 2.439 3.387 . 0 0 "[ . 1 . 2]" 1
1088 1 22 ILE HG12 2 27 TYR QE . . 4.420 3.694 3.365 4.034 . 0 0 "[ . 1 . 2]" 1
1089 1 27 TYR QE 2 22 ILE HB . . 4.550 4.635 4.597 4.674 0.124 6 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 18
_Distance_constraint_stats_list.Viol_count 34
_Distance_constraint_stats_list.Viol_total 10.543
_Distance_constraint_stats_list.Viol_max 0.038
_Distance_constraint_stats_list.Viol_rms 0.0056
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.0155
_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 3 CYS 0.325 0.038 13 0 "[ . 1 . 2]"
1 5 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 CYS 0.009 0.009 10 0 "[ . 1 . 2]"
1 30 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 CYS 0.325 0.038 13 0 "[ . 1 . 2]"
2 3 CYS 0.185 0.034 12 0 "[ . 1 . 2]"
2 5 CYS 0.009 0.009 10 0 "[ . 1 . 2]"
2 10 CYS 0.008 0.008 5 0 "[ . 1 . 2]"
2 20 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 30 CYS 0.008 0.008 5 0 "[ . 1 . 2]"
2 31 CYS 0.185 0.034 12 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 3 CYS SG 1 31 CYS SG . . 2.100 2.032 2.023 2.041 . 0 0 "[ . 1 . 2]" 2
2 1 3 CYS SG 1 31 CYS CB . . 3.100 3.020 2.992 3.046 . 0 0 "[ . 1 . 2]" 2
3 1 3 CYS CB 1 31 CYS SG . . 3.150 3.165 3.140 3.188 0.038 13 0 "[ . 1 . 2]" 2
4 2 3 CYS SG 2 31 CYS SG . . 2.100 2.031 2.025 2.039 . 0 0 "[ . 1 . 2]" 2
5 2 3 CYS SG 2 31 CYS CB . . 3.100 3.018 2.985 3.049 . 0 0 "[ . 1 . 2]" 2
6 2 3 CYS CB 2 31 CYS SG . . 3.150 3.155 3.080 3.184 0.034 12 0 "[ . 1 . 2]" 2
7 1 5 CYS SG 2 20 CYS SG . . 2.100 2.034 2.022 2.047 . 0 0 "[ . 1 . 2]" 2
8 1 5 CYS SG 2 20 CYS CB . . 3.100 3.038 3.020 3.063 . 0 0 "[ . 1 . 2]" 2
9 1 5 CYS CB 2 20 CYS SG . . 3.100 3.067 3.019 3.097 . 0 0 "[ . 1 . 2]" 2
10 1 20 CYS SG 2 5 CYS SG . . 2.100 2.036 2.028 2.041 . 0 0 "[ . 1 . 2]" 2
11 1 20 CYS CB 2 5 CYS SG . . 3.100 3.039 3.022 3.056 . 0 0 "[ . 1 . 2]" 2
12 1 20 CYS SG 2 5 CYS CB . . 3.100 3.077 3.029 3.109 0.009 10 0 "[ . 1 . 2]" 2
13 2 10 CYS SG 2 30 CYS SG . . 2.200 2.044 2.023 2.055 . 0 0 "[ . 1 . 2]" 2
14 2 10 CYS SG 2 30 CYS CB . . 3.100 2.996 2.950 3.108 0.008 5 0 "[ . 1 . 2]" 2
15 2 10 CYS CB 2 30 CYS SG . . 3.100 3.013 2.974 3.095 . 0 0 "[ . 1 . 2]" 2
16 1 10 CYS SG 1 30 CYS SG . . 2.200 2.045 2.032 2.056 . 0 0 "[ . 1 . 2]" 2
17 1 10 CYS SG 1 30 CYS CB . . 3.100 2.990 2.956 3.036 . 0 0 "[ . 1 . 2]" 2
18 1 10 CYS CB 1 30 CYS SG . . 3.100 3.020 2.994 3.058 . 0 0 "[ . 1 . 2]" 2
stop_
save_