NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
599321 |
2n2w   |
25614 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n2w
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 469
_Distance_constraint_stats_list.Viol_count 803
_Distance_constraint_stats_list.Viol_total 3157.817
_Distance_constraint_stats_list.Viol_max 0.497
_Distance_constraint_stats_list.Viol_rms 0.0407
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0075
_Distance_constraint_stats_list.Viol_average_violations_only 0.1311
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ILE 1.960 0.492 2 0 "[ . 1 . 2 . 3]"
1 3 VAL 3.804 0.492 2 0 "[ . 1 . 2 . 3]"
1 5 GLN 0.380 0.282 2 0 "[ . 1 . 2 . 3]"
1 7 CYS 0.695 0.493 3 0 "[ . 1 . 2 . 3]"
1 8 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 9 SER 2.988 0.263 21 0 "[ . 1 . 2 . 3]"
1 10 ILE 3.621 0.382 20 0 "[ . 1 . 2 . 3]"
1 12 SER 0.151 0.151 5 0 "[ . 1 . 2 . 3]"
1 13 LEU 0.990 0.163 20 0 "[ . 1 . 2 . 3]"
1 14 TYR 1.392 0.173 29 0 "[ . 1 . 2 . 3]"
1 15 GLN 0.624 0.173 29 0 "[ . 1 . 2 . 3]"
1 16 LEU 21.418 0.497 8 0 "[ . 1 . 2 . 3]"
1 17 GLU 6.622 0.477 29 0 "[ . 1 . 2 . 3]"
1 18 ASN 0.134 0.049 25 0 "[ . 1 . 2 . 3]"
1 19 TYR 7.126 0.329 18 0 "[ . 1 . 2 . 3]"
1 20 CYS 0.330 0.180 17 0 "[ . 1 . 2 . 3]"
1 21 ASN 0.751 0.180 17 0 "[ . 1 . 2 . 3]"
2 1 PHE 34.087 0.497 8 0 "[ . 1 . 2 . 3]"
2 2 VAL 0.094 0.094 6 0 "[ . 1 . 2 . 3]"
2 3 ASN 0.192 0.094 6 0 "[ . 1 . 2 . 3]"
2 4 GLN 1.776 0.489 1 0 "[ . 1 . 2 . 3]"
2 5 HIS 6.512 0.382 20 0 "[ . 1 . 2 . 3]"
2 6 LEU 6.274 0.489 1 0 "[ . 1 . 2 . 3]"
2 7 CYS 1.178 0.493 3 0 "[ . 1 . 2 . 3]"
2 9 SER 0.138 0.138 28 0 "[ . 1 . 2 . 3]"
2 10 HIS 0.358 0.135 24 0 "[ . 1 . 2 . 3]"
2 11 LEU 4.914 0.483 17 0 "[ . 1 . 2 . 3]"
2 12 VAL 5.531 0.379 17 0 "[ . 1 . 2 . 3]"
2 13 GLU 1.153 0.333 25 0 "[ . 1 . 2 . 3]"
2 14 ALA 15.211 0.436 16 0 "[ . 1 . 2 . 3]"
2 15 LEU 11.966 0.439 8 0 "[ . 1 . 2 . 3]"
2 16 TYR 2.551 0.311 19 0 "[ . 1 . 2 . 3]"
2 17 LEU 0.572 0.102 27 0 "[ . 1 . 2 . 3]"
2 18 VAL 33.971 0.477 29 0 "[ . 1 . 2 . 3]"
2 19 CYS 7.274 0.488 22 0 "[ . 1 . 2 . 3]"
2 20 GLY 0.057 0.036 23 0 "[ . 1 . 2 . 3]"
2 22 ARG 2.953 0.488 22 0 "[ . 1 . 2 . 3]"
2 23 GLY 2.069 0.458 11 0 "[ . 1 . 2 . 3]"
2 24 PHE 5.289 0.379 17 0 "[ . 1 . 2 . 3]"
2 25 PHE 3.740 0.341 22 0 "[ . 1 . 2 . 3]"
2 27 THR 2.217 0.341 22 0 "[ . 1 . 2 . 3]"
2 28 PRO 1.278 0.277 10 0 "[ . 1 . 2 . 3]"
2 30 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
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 2 14 ALA H 2 14 ALA MB 2.920 . 2.920 2.192 2.131 2.321 . 0 0 "[ . 1 . 2 . 3]" 1
2 2 24 PHE HA 2 25 PHE H 3.530 . 3.530 2.678 2.312 3.575 0.045 20 0 "[ . 1 . 2 . 3]" 1
3 2 15 LEU HA 2 19 CYS H 3.850 . 3.850 3.316 3.053 3.640 . 0 0 "[ . 1 . 2 . 3]" 1
4 2 11 LEU HA 2 14 ALA H 4.250 . 4.250 3.359 2.824 3.637 . 0 0 "[ . 1 . 2 . 3]" 1
5 2 10 HIS HA 2 10 HIS HD2 3.700 . 3.700 2.633 2.263 3.250 . 0 0 "[ . 1 . 2 . 3]" 1
6 2 16 TYR H 2 16 TYR QB 2.940 . 2.940 2.203 2.134 2.289 . 0 0 "[ . 1 . 2 . 3]" 1
7 2 16 TYR QB 2 17 LEU H 3.940 . 3.940 2.528 2.365 2.720 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 21 ASN H 1 21 ASN HB2 3.730 . 3.730 2.859 2.056 3.894 0.164 17 0 "[ . 1 . 2 . 3]" 1
9 1 21 ASN H 1 21 ASN HB3 3.730 . 3.730 3.374 2.616 3.799 0.069 7 0 "[ . 1 . 2 . 3]" 1
10 1 16 LEU HA 1 19 TYR QD 3.180 . 3.180 2.143 1.808 2.489 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 14 TYR H 1 14 TYR HB3 4.000 . 4.000 2.791 2.451 3.083 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 20 CYS HA 1 21 ASN H 2.990 . 2.990 2.390 2.132 3.170 0.180 17 0 "[ . 1 . 2 . 3]" 1
13 2 18 VAL H 2 19 CYS H 3.410 . 3.410 2.567 2.397 2.734 . 0 0 "[ . 1 . 2 . 3]" 1
14 2 19 CYS H 2 20 GLY H 3.560 . 3.560 2.444 2.176 2.746 . 0 0 "[ . 1 . 2 . 3]" 1
15 2 17 LEU H 2 18 VAL H 3.760 . 3.760 2.678 2.472 2.799 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 16 LEU H 1 17 GLU H 3.710 . 3.710 2.675 2.554 2.779 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 17 GLU H 1 18 ASN H 4.050 . 4.050 2.699 2.544 2.896 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 15 GLN H 1 16 LEU H 3.830 . 3.830 2.434 2.183 2.652 . 0 0 "[ . 1 . 2 . 3]" 1
19 2 16 TYR H 2 16 TYR QD 4.990 . 4.990 4.184 4.105 4.248 . 0 0 "[ . 1 . 2 . 3]" 1
20 2 22 ARG H 2 23 GLY H 5.180 . 5.180 3.625 2.346 4.615 . 0 0 "[ . 1 . 2 . 3]" 1
21 2 16 TYR H 2 17 LEU H 3.800 . 3.800 2.742 2.498 2.884 . 0 0 "[ . 1 . 2 . 3]" 1
22 2 14 ALA H 2 16 TYR H 4.440 . 4.440 4.107 3.936 4.239 . 0 0 "[ . 1 . 2 . 3]" 1
23 2 15 LEU H 2 16 TYR H 3.580 . 3.580 2.682 2.525 2.832 . 0 0 "[ . 1 . 2 . 3]" 1
24 2 14 ALA H 2 15 LEU H 3.410 . 3.410 2.780 2.661 2.932 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 19 TYR H 1 20 CYS H 3.130 . 3.130 2.387 2.222 2.650 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 18 ASN H 1 19 TYR H 3.580 . 3.580 2.826 2.660 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 19 TYR H 1 19 TYR QD 3.330 . 3.330 2.726 2.090 3.265 . 0 0 "[ . 1 . 2 . 3]" 1
28 2 13 GLU H 2 14 ALA H 3.530 . 3.530 2.680 2.540 2.870 . 0 0 "[ . 1 . 2 . 3]" 1
29 2 12 VAL H 2 13 GLU H 3.820 . 3.820 2.604 2.361 2.813 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 14 TYR H 1 15 GLN H 4.510 . 4.510 2.607 2.524 2.723 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 14 TYR H 1 14 TYR QD 4.230 . 4.230 2.331 1.890 2.619 . 0 0 "[ . 1 . 2 . 3]" 1
32 2 24 PHE H 2 24 PHE QD 4.140 . 4.140 2.610 1.791 3.328 . 0 0 "[ . 1 . 2 . 3]" 1
33 2 18 VAL HB 2 19 CYS H 3.490 . 3.490 2.655 2.440 2.899 . 0 0 "[ . 1 . 2 . 3]" 1
34 2 18 VAL MG2 2 19 CYS H 3.850 . 3.850 3.967 3.833 4.105 0.255 24 0 "[ . 1 . 2 . 3]" 1
35 2 18 VAL MG1 2 19 CYS H 3.890 . 3.890 3.393 3.117 3.745 . 0 0 "[ . 1 . 2 . 3]" 1
36 2 18 VAL H 2 18 VAL MG2 3.120 . 3.120 2.399 2.234 2.531 . 0 0 "[ . 1 . 2 . 3]" 1
37 2 18 VAL H 2 18 VAL MG1 3.770 . 3.770 3.811 3.744 3.857 0.087 26 0 "[ . 1 . 2 . 3]" 1
38 2 19 CYS H 2 19 CYS HB2 3.900 . 3.900 2.570 2.199 3.927 0.027 23 0 "[ . 1 . 2 . 3]" 1
39 2 19 CYS H 2 19 CYS HB3 3.900 . 3.900 3.640 3.160 3.871 . 0 0 "[ . 1 . 2 . 3]" 1
40 2 25 PHE H 2 25 PHE QB 3.710 . 3.710 2.614 2.237 2.974 . 0 0 "[ . 1 . 2 . 3]" 1
41 2 24 PHE HB3 2 25 PHE H 4.300 . 4.300 3.940 3.734 4.274 . 0 0 "[ . 1 . 2 . 3]" 1
42 2 24 PHE HB2 2 25 PHE H 4.300 . 4.300 2.817 2.368 4.031 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 19 TYR H 1 19 TYR HB3 3.770 . 3.770 3.618 3.546 3.684 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 19 TYR H 1 19 TYR HB2 3.770 . 3.770 2.371 2.258 2.497 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 10 ILE H 1 10 ILE MG 4.540 . 4.540 3.798 3.729 3.895 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 19 TYR QD 2 15 LEU MD2 4.080 . 4.080 3.045 2.224 3.901 . 0 0 "[ . 1 . 2 . 3]" 1
47 2 15 LEU HB3 2 24 PHE QD 3.590 . 3.590 2.554 2.105 3.142 . 0 0 "[ . 1 . 2 . 3]" 1
48 2 15 LEU HB3 2 24 PHE QE 4.280 . 4.280 3.462 2.766 3.924 . 0 0 "[ . 1 . 2 . 3]" 1
49 2 12 VAL H 2 12 VAL MG2 4.630 . 4.630 2.091 1.912 2.367 . 0 0 "[ . 1 . 2 . 3]" 1
50 2 12 VAL H 2 12 VAL MG1 4.630 . 4.630 3.791 3.739 3.877 . 0 0 "[ . 1 . 2 . 3]" 1
51 2 11 LEU H 2 11 LEU MD2 5.500 . 5.500 4.267 4.104 4.432 . 0 0 "[ . 1 . 2 . 3]" 1
52 2 11 LEU MD2 2 12 VAL H 5.500 . 5.500 4.198 3.278 4.680 . 0 0 "[ . 1 . 2 . 3]" 1
53 2 24 PHE HA 2 24 PHE QD 3.900 . 3.900 3.748 3.700 3.796 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 10 ILE MD 2 5 HIS HE1 3.800 . 3.800 2.954 2.210 3.649 . 0 0 "[ . 1 . 2 . 3]" 1
55 2 16 TYR HA 2 19 CYS H 4.900 . 4.900 4.250 3.886 4.636 . 0 0 "[ . 1 . 2 . 3]" 1
56 2 17 LEU HA 2 19 CYS H 5.500 . 5.500 5.045 4.755 5.461 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 20 CYS H 1 20 CYS HB2 3.710 . 3.710 2.508 2.083 3.723 0.013 2 0 "[ . 1 . 2 . 3]" 1
58 1 2 ILE HA 1 2 ILE MD 4.170 . 4.170 3.802 3.673 4.021 . 0 0 "[ . 1 . 2 . 3]" 1
59 2 11 LEU H 2 11 LEU MD1 5.500 . 5.500 4.114 3.897 4.270 . 0 0 "[ . 1 . 2 . 3]" 1
60 2 11 LEU MD1 2 12 VAL H 5.500 . 5.500 4.774 4.525 5.043 . 0 0 "[ . 1 . 2 . 3]" 1
61 2 12 VAL H 2 12 VAL HB 3.770 . 3.770 2.549 2.398 2.679 . 0 0 "[ . 1 . 2 . 3]" 1
62 2 25 PHE H 2 25 PHE QD 4.400 . 4.400 4.295 3.879 4.474 0.074 16 0 "[ . 1 . 2 . 3]" 1
63 2 24 PHE QD 2 25 PHE H 4.630 . 4.630 3.161 2.720 3.460 . 0 0 "[ . 1 . 2 . 3]" 1
64 2 16 TYR H 2 18 VAL H 4.960 . 4.960 4.243 4.069 4.458 . 0 0 "[ . 1 . 2 . 3]" 1
65 2 16 TYR H 2 24 PHE QE 4.430 . 4.430 3.636 3.141 4.088 . 0 0 "[ . 1 . 2 . 3]" 1
66 2 16 TYR H 2 24 PHE QD 4.870 . 4.870 4.731 4.259 5.033 0.163 25 0 "[ . 1 . 2 . 3]" 1
67 2 10 HIS H 2 11 LEU H 4.880 . 4.880 2.691 2.402 2.874 . 0 0 "[ . 1 . 2 . 3]" 1
68 2 15 LEU H 2 17 LEU H 4.860 . 4.860 4.234 4.095 4.392 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 13 LEU HA 1 17 GLU H 4.660 . 4.660 4.075 3.793 4.384 . 0 0 "[ . 1 . 2 . 3]" 1
70 2 15 LEU HB3 2 16 TYR H 4.370 . 4.370 3.456 2.878 3.816 . 0 0 "[ . 1 . 2 . 3]" 1
71 2 15 LEU HB2 2 16 TYR H 4.000 . 4.000 2.783 2.574 3.038 . 0 0 "[ . 1 . 2 . 3]" 1
72 2 15 LEU H 2 15 LEU HB3 4.180 . 4.180 3.530 3.310 3.614 . 0 0 "[ . 1 . 2 . 3]" 1
73 2 15 LEU H 2 15 LEU MD2 4.310 . 4.310 3.411 2.370 3.997 . 0 0 "[ . 1 . 2 . 3]" 1
74 2 15 LEU H 2 15 LEU MD1 4.310 . 4.310 3.568 3.230 4.149 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 2 ILE MG 1 3 VAL H 3.770 . 3.770 2.415 2.128 3.760 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 10 ILE H 1 10 ILE MD 4.750 . 4.750 3.575 3.247 3.896 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 3 VAL H 1 3 VAL MG1 4.270 . 4.270 3.713 2.556 3.828 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 16 LEU H 1 16 LEU HB2 3.870 . 3.870 2.318 2.080 2.506 . 0 0 "[ . 1 . 2 . 3]" 1
79 2 12 VAL HB 2 13 GLU H 3.300 . 3.300 2.565 2.393 2.806 . 0 0 "[ . 1 . 2 . 3]" 1
80 2 13 GLU H 2 13 GLU QB 3.440 . 3.440 2.373 2.126 2.670 . 0 0 "[ . 1 . 2 . 3]" 1
81 2 13 GLU H 2 13 GLU HG2 4.290 . 4.290 3.250 2.161 4.419 0.129 25 0 "[ . 1 . 2 . 3]" 1
82 2 13 GLU H 2 13 GLU HG3 4.290 . 4.290 2.823 2.049 4.480 0.190 25 0 "[ . 1 . 2 . 3]" 1
83 1 16 LEU H 1 16 LEU HB3 3.870 . 3.870 2.779 2.352 3.636 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 16 LEU H 1 16 LEU MD1 5.250 . 5.250 3.898 3.309 4.278 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 16 LEU H 1 16 LEU MD2 5.250 . 5.250 4.186 3.611 4.439 . 0 0 "[ . 1 . 2 . 3]" 1
86 2 30 THR H 2 30 THR MG 4.620 . 4.620 3.331 2.312 4.067 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 15 GLN H 1 15 GLN HG2 4.380 . 4.380 3.493 2.467 4.017 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 15 GLN H 1 15 GLN HB2 4.110 . 4.110 2.443 2.318 2.569 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 15 GLN H 1 15 GLN HB3 4.110 . 4.110 3.624 3.564 3.725 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 15 GLN H 1 15 GLN HG3 4.380 . 4.380 2.572 2.241 3.718 . 0 0 "[ . 1 . 2 . 3]" 1
91 2 17 LEU H 2 17 LEU HB2 4.150 . 4.150 2.344 2.138 2.449 . 0 0 "[ . 1 . 2 . 3]" 1
92 2 17 LEU H 2 17 LEU HB3 4.150 . 4.150 3.572 3.457 3.647 . 0 0 "[ . 1 . 2 . 3]" 1
93 2 18 VAL H 2 18 VAL HB 3.260 . 3.260 2.460 2.364 2.592 . 0 0 "[ . 1 . 2 . 3]" 1
94 2 17 LEU H 2 17 LEU HG 4.240 . 4.240 2.548 2.357 2.719 . 0 0 "[ . 1 . 2 . 3]" 1
95 2 17 LEU HG 2 18 VAL H 4.650 . 4.650 4.631 4.465 4.752 0.102 27 0 "[ . 1 . 2 . 3]" 1
96 2 14 ALA MB 2 18 VAL H 4.950 . 4.950 4.660 4.337 4.786 . 0 0 "[ . 1 . 2 . 3]" 1
97 2 12 VAL HA 2 15 LEU H 4.000 . 4.000 3.574 3.409 3.825 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 20 CYS H 1 20 CYS HB3 3.710 . 3.710 3.395 2.401 3.682 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 19 TYR HB2 1 20 CYS H 4.370 . 4.370 3.063 2.726 3.456 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 19 TYR HB3 1 20 CYS H 4.370 . 4.370 3.858 3.553 4.128 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 18 ASN H 1 18 ASN HB2 3.620 . 3.620 2.217 1.967 2.451 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 18 ASN H 1 18 ASN HB3 3.620 . 3.620 2.941 2.559 3.609 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 18 ASN HB3 1 19 TYR H 4.260 . 4.260 3.355 2.912 4.070 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 18 ASN HB2 1 19 TYR H 4.260 . 4.260 3.955 3.388 4.309 0.049 25 0 "[ . 1 . 2 . 3]" 1
105 2 19 CYS HB3 2 20 GLY H 4.750 . 4.750 4.087 3.353 4.710 . 0 0 "[ . 1 . 2 . 3]" 1
106 2 5 HIS HA 2 5 HIS HD2 4.150 . 4.150 3.661 3.053 4.151 0.001 17 0 "[ . 1 . 2 . 3]" 1
107 1 14 TYR H 1 14 TYR HB2 4.000 . 4.000 3.587 3.475 3.661 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 14 TYR HB2 1 15 GLN H 4.540 . 4.540 3.849 3.455 4.222 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 14 TYR HB3 1 15 GLN H 4.540 . 4.540 4.228 3.917 4.413 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 17 GLU HB2 1 18 ASN H 4.480 . 4.480 3.224 2.750 4.427 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 17 GLU HB3 1 18 ASN H 4.480 . 4.480 3.779 3.317 4.310 . 0 0 "[ . 1 . 2 . 3]" 1
112 2 22 ARG H 2 22 ARG HB2 3.990 . 3.990 3.142 2.303 4.019 0.029 9 0 "[ . 1 . 2 . 3]" 1
113 2 22 ARG H 2 22 ARG HB3 3.990 . 3.990 3.636 2.758 4.132 0.142 6 0 "[ . 1 . 2 . 3]" 1
114 2 22 ARG H 2 22 ARG HG2 4.230 . 4.230 3.225 1.874 4.359 0.129 23 0 "[ . 1 . 2 . 3]" 1
115 2 22 ARG H 2 22 ARG HG3 4.230 . 4.230 2.921 2.086 3.802 . 0 0 "[ . 1 . 2 . 3]" 1
116 2 19 CYS HB3 2 22 ARG H . . 5.000 4.117 2.595 5.072 0.072 29 0 "[ . 1 . 2 . 3]" 1
117 1 15 GLN HG2 1 16 LEU H 5.420 . 5.420 4.971 4.321 5.203 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 15 GLN HG3 1 16 LEU H 5.420 . 5.420 4.423 4.172 4.976 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 10 ILE H 1 10 ILE HB 3.950 . 3.950 2.478 2.360 2.757 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 3 VAL H 1 3 VAL MG2 4.270 . 4.270 2.023 1.790 2.237 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 2 ILE MD 1 19 TYR QD . . 4.080 3.436 2.755 3.884 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 19 TYR QD 2 15 LEU MD1 4.080 . 4.080 3.634 2.649 4.267 0.187 5 0 "[ . 1 . 2 . 3]" 1
123 2 1 PHE QE 2 18 VAL MG2 3.790 . 3.790 3.938 3.671 4.236 0.446 28 0 "[ . 1 . 2 . 3]" 1
124 2 1 PHE QE 2 6 LEU MD1 5.250 . 5.250 2.748 1.983 3.827 . 0 0 "[ . 1 . 2 . 3]" 1
125 2 1 PHE QE 2 18 VAL MG1 5.500 . 5.500 5.629 5.291 5.893 0.393 29 0 "[ . 1 . 2 . 3]" 1
126 1 16 LEU MD1 2 1 PHE QE 5.050 . 5.050 2.677 2.476 3.610 . 0 0 "[ . 1 . 2 . 3]" 1
127 2 1 PHE HZ 2 18 VAL MG2 4.910 . 4.910 5.026 4.716 5.220 0.310 23 0 "[ . 1 . 2 . 3]" 1
128 2 1 PHE QD 2 18 VAL MG2 3.850 . 3.850 2.895 2.533 3.382 . 0 0 "[ . 1 . 2 . 3]" 1
129 2 1 PHE QE 2 14 ALA MB 4.200 . 4.200 2.116 1.940 2.443 . 0 0 "[ . 1 . 2 . 3]" 1
130 2 1 PHE HZ 2 14 ALA MB 4.870 . 4.870 3.570 3.326 3.801 . 0 0 "[ . 1 . 2 . 3]" 1
131 2 1 PHE QD 2 14 ALA MB 4.200 . 4.200 3.209 2.883 3.636 . 0 0 "[ . 1 . 2 . 3]" 1
132 2 25 PHE QE 2 27 THR MG 4.180 . 4.180 2.759 2.081 4.002 . 0 0 "[ . 1 . 2 . 3]" 1
133 2 25 PHE QD 2 27 THR MG 4.210 . 4.210 3.237 2.181 4.179 . 0 0 "[ . 1 . 2 . 3]" 1
134 2 14 ALA H 2 18 VAL MG2 5.500 . 5.500 5.718 5.539 5.920 0.420 13 0 "[ . 1 . 2 . 3]" 1
135 2 6 LEU MD1 2 14 ALA H 5.310 . 5.310 4.220 3.342 5.746 0.436 16 0 "[ . 1 . 2 . 3]" 1
136 2 6 LEU MD2 2 14 ALA H . . 5.000 4.190 3.108 5.387 0.387 24 0 "[ . 1 . 2 . 3]" 1
137 2 17 LEU H 2 18 VAL MG2 4.610 . 4.610 4.147 3.953 4.402 . 0 0 "[ . 1 . 2 . 3]" 1
138 2 12 VAL MG1 2 13 GLU H 4.150 . 4.150 3.525 3.283 3.801 . 0 0 "[ . 1 . 2 . 3]" 1
139 2 12 VAL MG2 2 13 GLU H 4.150 . 4.150 3.779 3.564 4.010 . 0 0 "[ . 1 . 2 . 3]" 1
140 2 15 LEU H 2 15 LEU HB2 3.510 . 3.510 2.277 1.999 2.455 . 0 0 "[ . 1 . 2 . 3]" 1
141 2 14 ALA MB 2 15 LEU H 3.260 . 3.260 2.377 2.248 2.510 . 0 0 "[ . 1 . 2 . 3]" 1
142 2 16 TYR QD 2 17 LEU HG 4.640 . 4.640 3.138 2.499 3.665 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 16 LEU HG 1 19 TYR QD 5.080 . 5.080 4.125 3.013 5.295 0.215 23 0 "[ . 1 . 2 . 3]" 1
144 2 22 ARG HB2 2 23 GLY H 4.760 . 4.760 3.524 2.096 4.614 . 0 0 "[ . 1 . 2 . 3]" 1
145 2 22 ARG HB3 2 23 GLY H 4.760 . 4.760 3.841 1.900 4.688 . 0 0 "[ . 1 . 2 . 3]" 1
146 2 13 GLU QB 2 14 ALA H 3.370 . 3.370 2.593 2.432 2.712 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 13 LEU HB2 1 14 TYR H 4.810 . 4.810 3.934 3.668 4.114 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 13 LEU HG 1 14 TYR H 5.040 . 5.040 3.800 3.510 4.054 . 0 0 "[ . 1 . 2 . 3]" 1
149 2 15 LEU HB2 2 24 PHE QD 4.110 . 4.110 3.640 3.097 4.164 0.054 12 0 "[ . 1 . 2 . 3]" 1
150 1 3 VAL MG1 1 19 TYR QE . . 4.160 4.070 2.132 4.489 0.329 18 0 "[ . 1 . 2 . 3]" 1
151 1 3 VAL MG2 1 19 TYR QE . . 4.230 2.610 2.099 4.165 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 2 ILE MG 1 19 TYR QE 3.780 . 3.780 2.553 2.025 2.946 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 2 ILE MD 1 19 TYR QE . . 4.060 3.072 2.806 4.017 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 19 TYR QE 2 15 LEU MD1 5.030 . 5.030 4.627 3.843 5.305 0.275 21 0 "[ . 1 . 2 . 3]" 1
155 1 10 ILE MD 2 5 HIS HD2 . . 5.000 4.901 4.221 5.382 0.382 20 0 "[ . 1 . 2 . 3]" 1
156 1 19 TYR QE 2 15 LEU MD2 5.030 . 5.030 4.231 3.387 5.201 0.171 23 0 "[ . 1 . 2 . 3]" 1
157 2 16 TYR QB 2 24 PHE QE 3.920 . 3.920 3.164 2.718 3.583 . 0 0 "[ . 1 . 2 . 3]" 1
158 2 16 TYR QB 2 24 PHE QD 5.500 . 5.500 4.945 4.461 5.293 . 0 0 "[ . 1 . 2 . 3]" 1
159 2 24 PHE QD 2 25 PHE QB 5.500 . 5.500 4.686 4.287 4.926 . 0 0 "[ . 1 . 2 . 3]" 1
160 2 1 PHE HA 2 1 PHE QD 3.660 . 3.660 2.214 2.011 2.611 . 0 0 "[ . 1 . 2 . 3]" 1
161 2 1 PHE HA 2 1 PHE QE 4.510 . 4.510 4.388 4.219 4.508 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 3 VAL HA 1 19 TYR QE . . 4.730 3.666 3.092 4.270 . 0 0 "[ . 1 . 2 . 3]" 1
163 2 15 LEU HA 2 24 PHE QD 5.090 . 5.090 4.637 4.348 4.980 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 16 LEU HA 1 19 TYR QE 3.800 . 3.800 3.052 2.613 3.548 . 0 0 "[ . 1 . 2 . 3]" 1
165 2 9 SER HA 2 12 VAL H 4.370 . 4.370 3.441 3.023 4.012 . 0 0 "[ . 1 . 2 . 3]" 1
166 2 16 TYR HA 2 24 PHE QE 3.470 . 3.470 2.249 1.953 2.951 . 0 0 "[ . 1 . 2 . 3]" 1
167 2 16 TYR HA 2 24 PHE QD 4.600 . 4.600 4.080 3.636 4.444 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 19 TYR HA 1 19 TYR QE 4.670 . 4.670 4.665 4.476 4.808 0.138 24 0 "[ . 1 . 2 . 3]" 1
169 1 9 SER HA 2 5 HIS HD2 . . 4.200 3.806 3.167 4.351 0.151 20 0 "[ . 1 . 2 . 3]" 1
170 2 24 PHE QD 2 25 PHE HA 4.630 . 4.630 3.891 3.452 4.364 . 0 0 "[ . 1 . 2 . 3]" 1
171 2 25 PHE HA 2 25 PHE QD 3.610 . 3.610 2.769 2.002 3.135 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 9 SER HA 2 5 HIS HE1 . . 3.500 3.563 3.219 3.763 0.263 21 0 "[ . 1 . 2 . 3]" 1
173 2 10 HIS HA 2 14 ALA H 4.640 . 4.640 4.009 3.602 4.281 . 0 0 "[ . 1 . 2 . 3]" 1
174 2 16 TYR HA 2 20 GLY H 4.640 . 4.640 3.691 2.458 4.661 0.021 11 0 "[ . 1 . 2 . 3]" 1
175 2 25 PHE QD 2 27 THR HA 4.350 . 4.350 4.072 3.010 4.691 0.341 22 0 "[ . 1 . 2 . 3]" 1
176 2 25 PHE QE 2 27 THR HA 4.640 . 4.640 3.151 2.150 4.635 . 0 0 "[ . 1 . 2 . 3]" 1
177 2 13 GLU HA 2 16 TYR QD 4.380 . 4.380 4.119 3.496 4.510 0.130 15 0 "[ . 1 . 2 . 3]" 1
178 2 1 PHE QE 2 14 ALA HA 4.630 . 4.630 3.295 2.957 3.616 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 15 GLN HA 1 18 ASN H 4.630 . 4.630 3.326 3.028 3.642 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 17 GLU HA 1 20 CYS H 3.900 . 3.900 3.282 3.077 3.707 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 12 SER HB2 1 14 TYR QD 4.470 . 4.470 3.751 3.278 4.377 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 14 TYR HA 1 14 TYR QD 3.860 . 3.860 3.743 3.597 3.816 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 12 SER HB3 1 14 TYR QD 4.470 . 4.470 3.628 2.692 4.621 0.151 5 0 "[ . 1 . 2 . 3]" 1
184 2 1 PHE HZ 2 14 ALA HA 5.500 . 5.500 5.606 5.423 5.752 0.252 24 0 "[ . 1 . 2 . 3]" 1
185 1 13 LEU HA 2 1 PHE HZ 5.500 . 5.500 5.050 4.470 5.539 0.039 25 0 "[ . 1 . 2 . 3]" 1
186 2 10 HIS HB2 2 11 LEU H 4.700 . 4.700 3.079 2.764 3.306 . 0 0 "[ . 1 . 2 . 3]" 1
187 2 12 VAL MG1 2 24 PHE QE 4.330 . 4.330 2.442 1.871 3.010 . 0 0 "[ . 1 . 2 . 3]" 1
188 2 15 LEU HB2 2 24 PHE QE 4.810 . 4.810 3.839 3.042 4.536 . 0 0 "[ . 1 . 2 . 3]" 1
189 2 12 VAL MG2 2 24 PHE QE 4.330 . 4.330 3.950 3.109 4.709 0.379 17 0 "[ . 1 . 2 . 3]" 1
190 1 13 LEU HB3 1 14 TYR H 4.810 . 4.810 2.621 2.324 2.905 . 0 0 "[ . 1 . 2 . 3]" 1
191 2 10 HIS HB3 2 14 ALA H 5.500 . 5.500 4.573 4.126 4.868 . 0 0 "[ . 1 . 2 . 3]" 1
192 2 12 VAL HA 2 14 ALA H 5.500 . 5.500 4.448 4.261 4.699 . 0 0 "[ . 1 . 2 . 3]" 1
193 2 14 ALA H 2 16 TYR QB 5.500 . 5.500 4.796 4.624 4.971 . 0 0 "[ . 1 . 2 . 3]" 1
194 2 25 PHE HA 2 25 PHE QE 4.750 . 4.750 4.576 4.393 4.795 0.045 19 0 "[ . 1 . 2 . 3]" 1
195 1 19 TYR HA 1 19 TYR QD 3.220 . 3.220 2.854 2.351 3.178 . 0 0 "[ . 1 . 2 . 3]" 1
196 2 16 TYR HA 2 16 TYR QD 3.280 . 3.280 2.738 2.267 3.197 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 14 TYR HA 1 18 ASN H 5.000 . 5.000 4.025 3.800 4.261 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 17 GLU HA 1 19 TYR H 4.030 . 4.030 3.596 3.257 3.822 . 0 0 "[ . 1 . 2 . 3]" 1
199 2 13 GLU HA 2 16 TYR H 4.010 . 4.010 3.398 3.206 3.721 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 14 TYR HA 1 17 GLU H 4.290 . 4.290 3.133 2.927 3.432 . 0 0 "[ . 1 . 2 . 3]" 1
201 2 11 LEU HG 2 14 ALA H 5.500 . 5.500 5.280 4.494 5.630 0.130 11 0 "[ . 1 . 2 . 3]" 1
202 1 10 ILE MG 2 5 HIS HE1 5.500 . 5.500 5.435 4.960 5.840 0.340 16 0 "[ . 1 . 2 . 3]" 1
203 1 16 LEU MD2 2 1 PHE QE 5.050 . 5.050 4.462 3.912 4.966 . 0 0 "[ . 1 . 2 . 3]" 1
204 2 1 PHE QE 2 6 LEU MD2 5.250 . 5.250 2.812 2.038 4.423 . 0 0 "[ . 1 . 2 . 3]" 1
205 2 6 LEU HA 2 10 HIS HB3 4.390 . 4.390 3.378 2.469 4.525 0.135 24 0 "[ . 1 . 2 . 3]" 1
206 2 14 ALA MB 2 16 TYR H 4.720 . 4.720 4.439 4.323 4.547 . 0 0 "[ . 1 . 2 . 3]" 1
207 2 19 CYS HB2 2 22 ARG H . . 4.500 4.212 3.061 4.988 0.488 22 0 "[ . 1 . 2 . 3]" 1
208 2 19 CYS HB2 2 20 GLY H 4.750 . 4.750 3.266 2.188 4.521 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 16 LEU H 1 17 GLU HA 5.310 . 5.310 5.296 5.196 5.399 0.089 23 0 "[ . 1 . 2 . 3]" 1
210 2 10 HIS HA 2 13 GLU H 4.050 . 4.050 3.205 2.921 3.476 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 17 GLU H 2 18 VAL MG1 4.330 . 4.330 3.702 2.552 4.322 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 10 ILE MD 2 4 GLN HA 4.190 . 4.190 2.855 2.155 4.190 . 0 0 "[ . 1 . 2 . 3]" 1
213 2 4 GLN HA 2 4 GLN HG2 4.090 . 4.090 3.193 2.156 3.803 . 0 0 "[ . 1 . 2 . 3]" 1
214 2 4 GLN HA 2 4 GLN HG3 4.090 . 4.090 3.063 2.183 3.907 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 10 ILE MG 2 3 ASN HA 3.990 . 3.990 3.385 2.733 4.054 0.064 15 0 "[ . 1 . 2 . 3]" 1
216 2 27 THR HB 2 28 PRO HD2 3.760 . 3.760 2.260 1.915 2.989 . 0 0 "[ . 1 . 2 . 3]" 1
217 2 27 THR HA 2 28 PRO HD2 3.470 . 3.470 2.849 2.602 3.418 . 0 0 "[ . 1 . 2 . 3]" 1
218 2 27 THR HB 2 28 PRO HD3 3.760 . 3.760 3.499 2.583 3.830 0.070 18 0 "[ . 1 . 2 . 3]" 1
219 2 27 THR HA 2 28 PRO HD3 3.470 . 3.470 2.611 2.091 2.849 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 14 TYR HA 1 17 GLU HB3 4.480 . 4.480 3.917 2.815 4.300 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 14 TYR HA 1 17 GLU HB2 4.480 . 4.480 2.809 2.138 4.642 0.162 28 0 "[ . 1 . 2 . 3]" 1
222 1 13 LEU HG 1 14 TYR HA 4.680 . 4.680 3.653 3.347 4.053 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 10 ILE MD 2 5 HIS HA 4.720 . 4.720 3.237 2.427 4.230 . 0 0 "[ . 1 . 2 . 3]" 1
224 2 6 LEU HA 2 6 LEU MD2 4.320 . 4.320 2.374 2.018 3.694 . 0 0 "[ . 1 . 2 . 3]" 1
225 2 6 LEU HA 2 6 LEU MD1 4.320 . 4.320 3.587 1.887 3.965 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 10 ILE HA 1 10 ILE MG 3.560 . 3.560 2.434 2.282 2.581 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 10 ILE HA 1 10 ILE MD 4.010 . 4.010 2.239 2.012 3.869 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 16 LEU HA 2 15 LEU MD1 5.460 . 5.460 4.987 3.128 5.769 0.309 28 0 "[ . 1 . 2 . 3]" 1
229 2 10 HIS HA 2 13 GLU QB 3.510 . 3.510 2.666 2.119 3.105 . 0 0 "[ . 1 . 2 . 3]" 1
230 2 13 GLU HA 2 16 TYR QB 3.280 . 3.280 2.487 2.295 2.724 . 0 0 "[ . 1 . 2 . 3]" 1
231 2 16 TYR QB 2 17 LEU HA 4.510 . 4.510 4.135 3.984 4.282 . 0 0 "[ . 1 . 2 . 3]" 1
232 2 11 LEU HA 2 14 ALA MB 3.570 . 3.570 2.511 2.250 2.778 . 0 0 "[ . 1 . 2 . 3]" 1
233 2 14 ALA HA 2 18 VAL MG2 4.190 . 4.190 3.511 3.253 3.752 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 13 LEU HA 1 13 LEU MD1 4.090 . 4.090 2.226 2.103 2.799 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 13 LEU HA 1 13 LEU MD2 4.090 . 4.090 3.915 3.762 4.081 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 13 LEU HA 2 18 VAL MG2 4.700 . 4.700 4.029 2.770 4.863 0.163 20 0 "[ . 1 . 2 . 3]" 1
237 2 2 VAL HA 2 2 VAL MG1 3.380 . 3.380 2.393 2.228 3.275 . 0 0 "[ . 1 . 2 . 3]" 1
238 2 2 VAL HA 2 2 VAL MG2 3.380 . 3.380 2.697 2.228 3.316 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 2 ILE MG 1 3 VAL HA 3.780 . 3.780 3.328 3.134 3.504 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 19 TYR HB2 2 15 LEU MD2 5.040 . 5.040 2.564 1.997 4.105 . 0 0 "[ . 1 . 2 . 3]" 1
241 2 15 LEU HB3 2 24 PHE HB2 5.500 . 5.500 4.154 3.379 5.124 . 0 0 "[ . 1 . 2 . 3]" 1
242 2 15 LEU MD2 2 24 PHE HB2 6.400 . 6.400 4.158 2.802 5.066 . 0 0 "[ . 1 . 2 . 3]" 1
243 2 15 LEU HB3 2 24 PHE HB3 5.500 . 5.500 3.098 2.727 3.761 . 0 0 "[ . 1 . 2 . 3]" 1
244 2 15 LEU MD2 2 24 PHE HB3 6.400 . 6.400 3.314 2.292 4.769 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 19 TYR HB3 2 15 LEU MD2 5.040 . 5.040 3.056 2.444 4.527 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 19 TYR HB3 2 15 LEU MD1 5.040 . 5.040 3.271 2.244 4.155 . 0 0 "[ . 1 . 2 . 3]" 1
247 2 15 LEU MD1 2 24 PHE HB3 6.400 . 6.400 2.517 2.034 3.384 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 19 TYR HB2 2 15 LEU MD1 5.040 . 5.040 3.344 2.031 4.470 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 2 ILE MD 1 19 TYR HB2 5.500 . 5.500 5.030 4.376 5.527 0.027 28 0 "[ . 1 . 2 . 3]" 1
250 2 16 TYR QD 2 24 PHE QD 5.500 . 5.500 5.166 4.648 5.683 0.183 7 0 "[ . 1 . 2 . 3]" 1
251 2 24 PHE QD 2 25 PHE QD 5.500 . 5.500 5.545 5.049 5.752 0.252 14 0 "[ . 1 . 2 . 3]" 1
252 1 14 TYR QD 1 15 GLN HA 4.390 . 4.390 3.536 3.223 3.920 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 17 GLU H 1 17 GLU HB3 3.620 . 3.620 3.349 2.134 3.659 0.039 27 0 "[ . 1 . 2 . 3]" 1
254 1 17 GLU H 1 17 GLU HB2 3.620 . 3.620 2.597 2.014 3.651 0.031 4 0 "[ . 1 . 2 . 3]" 1
255 2 15 LEU H 2 15 LEU HG 4.030 . 4.030 3.055 2.295 4.230 0.200 21 0 "[ . 1 . 2 . 3]" 1
256 1 10 ILE MD 1 10 ILE MG 3.050 . 3.050 2.146 2.070 2.268 . 0 0 "[ . 1 . 2 . 3]" 1
257 2 14 ALA MB 2 18 VAL MG2 3.960 . 3.960 3.418 2.997 3.634 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 10 ILE HB 1 10 ILE MD 3.500 . 3.500 3.277 2.514 3.336 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 16 LEU HG 2 15 LEU MD1 5.260 . 5.260 4.825 3.737 5.699 0.439 8 0 "[ . 1 . 2 . 3]" 1
260 1 17 GLU HG2 2 18 VAL MG1 3.940 . 3.940 2.688 2.027 4.049 0.109 29 0 "[ . 1 . 2 . 3]" 1
261 1 17 GLU HG3 2 18 VAL MG1 3.940 . 3.940 3.123 2.265 4.417 0.477 29 0 "[ . 1 . 2 . 3]" 1
262 2 13 GLU QB 2 14 ALA MB 4.420 . 4.420 3.849 3.693 3.990 . 0 0 "[ . 1 . 2 . 3]" 1
263 2 12 VAL HA 2 12 VAL MG1 3.310 . 3.310 2.409 2.319 2.518 . 0 0 "[ . 1 . 2 . 3]" 1
264 2 12 VAL HA 2 15 LEU HB2 3.780 . 3.780 2.902 2.560 3.377 . 0 0 "[ . 1 . 2 . 3]" 1
265 2 12 VAL HA 2 12 VAL MG2 3.310 . 3.310 2.440 2.301 2.555 . 0 0 "[ . 1 . 2 . 3]" 1
266 2 11 LEU HA 2 11 LEU HG 3.740 . 3.740 2.842 2.284 3.282 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 8 THR HA 1 8 THR MG 3.190 . 3.190 2.275 2.083 2.407 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 17 GLU HA 2 18 VAL MG1 3.460 . 3.460 3.212 2.334 3.835 0.375 13 0 "[ . 1 . 2 . 3]" 1
269 2 10 HIS HA 2 14 ALA MB 5.410 . 5.410 4.742 4.285 5.099 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 10 ILE MG 2 3 ASN HB3 4.570 . 4.570 2.844 1.935 3.848 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 10 ILE MG 2 3 ASN HB2 4.570 . 4.570 2.966 1.973 4.574 0.004 1 0 "[ . 1 . 2 . 3]" 1
272 1 2 ILE MD 1 19 TYR HB3 5.500 . 5.500 5.231 4.480 5.781 0.281 28 0 "[ . 1 . 2 . 3]" 1
273 2 1 PHE HB2 2 14 ALA MB 5.120 . 5.120 5.108 4.466 5.472 0.352 21 0 "[ . 1 . 2 . 3]" 1
274 2 10 HIS HB3 2 14 ALA MB 4.590 . 4.590 4.181 3.731 4.633 0.043 27 0 "[ . 1 . 2 . 3]" 1
275 2 27 THR MG 2 28 PRO HD3 4.070 . 4.070 3.951 3.106 4.347 0.277 10 0 "[ . 1 . 2 . 3]" 1
276 1 16 LEU HG 2 15 LEU MD2 5.260 . 5.260 3.588 2.423 4.773 . 0 0 "[ . 1 . 2 . 3]" 1
277 2 11 LEU HB3 2 12 VAL HA 5.500 . 5.500 4.159 3.969 4.396 . 0 0 "[ . 1 . 2 . 3]" 1
278 2 11 LEU HG 2 12 VAL HA 5.500 . 5.500 4.244 3.606 5.068 . 0 0 "[ . 1 . 2 . 3]" 1
279 2 27 THR MG 2 28 PRO HD2 4.070 . 4.070 3.374 2.474 4.155 0.085 15 0 "[ . 1 . 2 . 3]" 1
280 2 14 ALA MB 2 15 LEU HA 4.260 . 4.260 3.815 3.736 3.929 . 0 0 "[ . 1 . 2 . 3]" 1
281 2 15 LEU HA 2 15 LEU HG 4.190 . 4.190 3.063 2.536 3.825 . 0 0 "[ . 1 . 2 . 3]" 1
282 2 27 THR HA 2 27 THR MG 3.170 . 3.170 2.352 2.191 2.605 . 0 0 "[ . 1 . 2 . 3]" 1
283 2 30 THR HA 2 30 THR MG 3.690 . 3.690 2.495 2.137 3.273 . 0 0 "[ . 1 . 2 . 3]" 1
284 2 18 VAL HA 2 18 VAL MG2 2.880 . 2.880 2.322 2.175 2.469 . 0 0 "[ . 1 . 2 . 3]" 1
285 2 18 VAL HA 2 18 VAL MG1 3.080 . 3.080 2.447 2.354 2.569 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 2 ILE HA 1 5 GLN HB2 4.540 . 4.540 2.873 2.262 3.969 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 2 ILE HA 1 5 GLN HB3 4.540 . 4.540 3.429 2.336 4.493 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 15 GLN HA 1 15 GLN HG3 3.820 . 3.820 3.154 2.842 3.775 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 15 GLN HA 1 15 GLN HG2 3.820 . 3.820 2.530 2.316 2.818 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 15 GLN HA 1 18 ASN HB2 4.470 . 4.470 2.685 2.231 3.290 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 15 GLN HA 1 18 ASN HB3 4.470 . 4.470 3.345 2.614 4.411 . 0 0 "[ . 1 . 2 . 3]" 1
292 2 22 ARG HB3 2 22 ARG HD3 4.210 . 4.210 2.982 2.287 3.764 . 0 0 "[ . 1 . 2 . 3]" 1
293 2 22 ARG HB3 2 22 ARG HD2 4.210 . 4.210 2.859 2.364 3.759 . 0 0 "[ . 1 . 2 . 3]" 1
294 2 22 ARG HB2 2 22 ARG HD3 4.210 . 4.210 3.301 2.413 3.863 . 0 0 "[ . 1 . 2 . 3]" 1
295 2 22 ARG HB2 2 22 ARG HD2 4.210 . 4.210 2.845 2.329 3.747 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 16 LEU HA 2 15 LEU MD2 5.460 . 5.460 3.772 2.459 4.314 . 0 0 "[ . 1 . 2 . 3]" 1
297 2 11 LEU HB2 2 12 VAL HA 5.500 . 5.500 5.571 5.431 5.718 0.218 15 0 "[ . 1 . 2 . 3]" 1
298 2 16 TYR QB 2 17 LEU HG 4.710 . 4.710 3.283 2.787 3.582 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 13 LEU HG 1 14 TYR QD 5.480 . 5.480 5.018 4.240 5.615 0.135 29 0 "[ . 1 . 2 . 3]" 1
300 1 13 LEU HG 2 1 PHE QD 5.500 . 5.500 5.019 4.363 5.595 0.095 10 0 "[ . 1 . 2 . 3]" 1
301 2 1 PHE QD 2 14 ALA HA 4.690 . 4.690 3.034 2.251 3.724 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 2 ILE HA 1 2 ILE QG 3.450 . 3.450 2.314 2.133 2.551 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 2 ILE MG 1 3 VAL QG 3.320 . 3.320 2.527 2.198 3.812 0.492 2 0 "[ . 1 . 2 . 3]" 1
304 1 2 ILE MD 1 5 GLN QB 5.340 . 5.340 4.943 4.313 5.622 0.282 2 0 "[ . 1 . 2 . 3]" 1
305 1 3 VAL H 1 3 VAL QG 3.330 . 3.330 2.013 1.786 2.222 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 5 GLN HA 1 5 GLN QG 3.740 . 3.740 2.420 2.044 2.864 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 9 SER QB 1 10 ILE H 4.330 . 4.330 2.559 1.862 3.372 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 9 SER QB 2 5 HIS HD2 5.340 . 5.340 5.146 4.820 5.449 0.109 20 0 "[ . 1 . 2 . 3]" 1
309 1 10 ILE H 1 10 ILE QG 4.390 . 4.390 2.293 1.691 2.627 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 10 ILE MG 2 3 ASN QB 3.910 . 3.910 2.254 1.922 3.445 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 10 ILE QG 2 5 HIS HE1 4.270 . 4.270 3.046 2.608 3.621 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 12 SER QB 1 14 TYR QD 3.910 . 3.910 3.214 2.622 3.760 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 12 SER QB 1 14 TYR QE 4.520 . 4.520 2.768 2.418 3.175 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 13 LEU HA 1 13 LEU QD 3.090 . 3.090 2.212 2.094 2.727 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 13 LEU HA 1 16 LEU QB 4.140 . 4.140 2.673 2.339 3.040 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 13 LEU HA 1 16 LEU QD 3.880 . 3.880 2.918 2.448 3.976 0.096 23 0 "[ . 1 . 2 . 3]" 1
317 1 13 LEU QB 1 14 TYR QD 4.620 . 4.620 3.491 3.033 3.917 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 13 LEU QB 2 1 PHE QD 4.810 . 4.810 2.917 2.215 3.793 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 13 LEU HG 1 17 GLU QG 4.890 . 4.890 3.105 2.682 4.922 0.032 29 0 "[ . 1 . 2 . 3]" 1
320 1 13 LEU QD 1 14 TYR QD 5.420 . 5.420 4.398 3.693 4.941 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 13 LEU QD 1 17 GLU H 4.760 . 4.760 3.942 3.423 4.492 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 13 LEU QD 1 17 GLU QG 4.110 . 4.110 3.032 2.257 4.267 0.157 8 0 "[ . 1 . 2 . 3]" 1
323 1 13 LEU QD 2 1 PHE HB2 4.670 . 4.670 2.913 2.394 3.623 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 13 LEU QD 2 1 PHE HB3 4.440 . 4.440 2.633 2.169 3.516 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 13 LEU QD 2 1 PHE QD 3.720 . 3.720 2.493 2.095 3.116 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 14 TYR HA 1 17 GLU QB 3.840 . 3.840 2.565 2.126 3.717 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 14 TYR HA 1 17 GLU QG 4.440 . 4.440 3.106 1.841 3.877 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 14 TYR QB 1 15 GLN H 3.990 . 3.990 3.559 3.310 3.719 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 14 TYR QD 1 15 GLN QB 4.470 . 4.470 4.297 3.883 4.643 0.173 29 0 "[ . 1 . 2 . 3]" 1
330 1 14 TYR QD 1 15 GLN QG 4.440 . 4.440 2.712 2.090 3.431 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 14 TYR QE 1 15 GLN QG 4.380 . 4.380 2.725 2.513 3.231 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 15 GLN H 1 15 GLN QB 3.610 . 3.610 2.407 2.290 2.526 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 15 GLN H 1 15 GLN QG 3.650 . 3.650 2.436 2.211 2.828 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 15 GLN HA 1 15 GLN QG 3.320 . 3.320 2.426 2.255 2.744 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 15 GLN HA 1 18 ASN QB 3.900 . 3.900 2.538 2.195 2.907 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 15 GLN QG 1 16 LEU H 4.690 . 4.690 4.119 3.960 4.266 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 16 LEU H 1 16 LEU QB 3.210 . 3.210 2.173 2.054 2.410 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 16 LEU H 1 16 LEU QD 4.070 . 4.070 3.578 3.136 3.770 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 16 LEU H 1 17 GLU QG 5.340 . 5.340 4.651 4.157 5.216 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 16 LEU HA 1 16 LEU QD 3.030 . 3.030 2.670 2.052 3.019 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 16 LEU HA 1 19 TYR QB 4.460 . 4.460 3.824 3.493 4.125 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 16 LEU HA 2 15 LEU QD 4.050 . 4.050 3.616 2.446 4.149 0.099 23 0 "[ . 1 . 2 . 3]" 1
343 1 16 LEU QB 1 17 GLU H 4.380 . 4.380 2.450 2.242 2.711 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 16 LEU QB 2 15 LEU QD 4.450 . 4.450 3.925 2.245 4.539 0.089 14 0 "[ . 1 . 2 . 3]" 1
345 1 16 LEU QB 2 18 VAL MG1 4.110 . 4.110 3.179 2.153 4.101 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 16 LEU QB 2 18 VAL MG2 3.730 . 3.730 3.309 2.221 3.858 0.128 20 0 "[ . 1 . 2 . 3]" 1
347 1 16 LEU HG 2 15 LEU QD 4.110 . 4.110 3.471 2.397 4.454 0.344 19 0 "[ . 1 . 2 . 3]" 1
348 1 16 LEU QD 1 19 TYR QD 3.730 . 3.730 3.331 2.144 3.900 0.170 13 0 "[ . 1 . 2 . 3]" 1
349 1 16 LEU QD 2 1 PHE HA 4.700 . 4.700 4.738 4.485 4.889 0.189 8 0 "[ . 1 . 2 . 3]" 1
350 1 16 LEU QD 2 1 PHE HB2 4.220 . 4.220 3.747 3.544 4.034 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 16 LEU QD 2 1 PHE HB3 4.470 . 4.470 4.406 3.862 4.811 0.341 23 0 "[ . 1 . 2 . 3]" 1
352 1 16 LEU QD 2 1 PHE QD 3.690 . 3.690 3.069 2.929 3.489 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 16 LEU QD 2 1 PHE QE 3.600 . 3.600 2.647 2.455 3.335 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 16 LEU QD 2 1 PHE HZ 4.130 . 4.130 2.728 2.457 3.579 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 16 LEU QD 2 14 ALA H 5.440 . 5.440 4.557 4.246 4.805 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 16 LEU QD 2 14 ALA MB 3.080 . 3.080 1.977 1.859 2.190 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 16 LEU QD 2 15 LEU H 4.580 . 4.580 3.487 3.111 3.710 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 16 LEU QD 2 15 LEU QD 3.240 . 3.240 2.073 1.810 2.235 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 16 LEU QD 2 18 VAL MG2 3.630 . 3.630 1.954 1.833 2.140 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 17 GLU H 1 17 GLU QB 3.050 . 3.050 2.333 1.999 2.579 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 17 GLU H 1 17 GLU QG 3.780 . 3.780 2.530 2.150 3.128 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 17 GLU HA 1 17 GLU QG 3.240 . 3.240 2.565 2.146 3.485 0.245 29 0 "[ . 1 . 2 . 3]" 1
363 1 17 GLU HA 1 20 CYS QB 5.340 . 5.340 3.185 2.415 4.484 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 17 GLU QB 1 18 ASN H 3.840 . 3.840 3.020 2.667 3.796 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 17 GLU QG 2 18 VAL MG1 3.380 . 3.380 2.504 1.976 3.747 0.367 29 0 "[ . 1 . 2 . 3]" 1
366 1 18 ASN H 1 18 ASN QB 3.140 . 3.140 2.138 1.947 2.380 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 19 TYR H 1 19 TYR QB 3.120 . 3.120 2.341 2.235 2.458 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 19 TYR H 1 20 CYS QB 5.000 . 5.000 4.355 3.818 4.910 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 19 TYR H 2 15 LEU QD 4.390 . 4.390 3.893 3.329 4.263 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 19 TYR HA 2 15 LEU QD 5.280 . 5.280 4.399 4.003 4.714 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 19 TYR QB 2 15 LEU QD 3.200 . 3.200 2.106 1.845 2.387 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 19 TYR QD 2 15 LEU QD 3.360 . 3.360 2.838 2.205 3.281 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 20 CYS H 1 20 CYS QB 3.160 . 3.160 2.407 2.059 2.880 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 20 CYS H 2 15 LEU QD 4.960 . 4.960 3.974 3.188 4.464 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 20 CYS HA 1 21 ASN QB 4.720 . 4.720 4.389 4.114 4.585 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 20 CYS HA 1 21 ASN QD 5.340 . 5.340 4.091 2.857 5.344 0.004 21 0 "[ . 1 . 2 . 3]" 1
377 1 20 CYS QB 1 21 ASN H 3.310 . 3.310 2.723 1.749 3.443 0.133 17 0 "[ . 1 . 2 . 3]" 1
378 1 21 ASN H 1 21 ASN QB 3.190 . 3.190 2.527 2.037 3.111 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 21 ASN H 1 21 ASN QD 3.980 . 3.980 2.950 1.836 3.679 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 21 ASN QB 1 21 ASN QD 3.000 . 3.000 2.182 2.020 2.666 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 21 ASN QD 2 24 PHE HA 5.340 . 5.340 4.820 2.608 5.377 0.037 30 0 "[ . 1 . 2 . 3]" 1
382 2 1 PHE QE 2 6 LEU QB 5.340 . 5.340 4.825 3.634 5.534 0.194 16 0 "[ . 1 . 2 . 3]" 1
383 2 1 PHE QE 2 6 LEU QD 3.730 . 3.730 2.213 1.915 2.703 . 0 0 "[ . 1 . 2 . 3]" 1
384 2 1 PHE HZ 2 6 LEU QD 4.260 . 4.260 2.268 1.884 2.648 . 0 0 "[ . 1 . 2 . 3]" 1
385 2 4 GLN QB 2 6 LEU QD 4.340 . 4.340 2.728 2.008 4.095 . 0 0 "[ . 1 . 2 . 3]" 1
386 2 4 GLN QG 2 6 LEU QD 3.760 . 3.760 3.361 2.054 4.249 0.489 1 0 "[ . 1 . 2 . 3]" 1
387 2 6 LEU HA 2 6 LEU QD 2.980 . 2.980 2.195 1.881 3.084 0.104 27 0 "[ . 1 . 2 . 3]" 1
388 2 6 LEU QB 2 10 HIS HB3 4.950 . 4.950 3.969 2.389 5.081 0.131 24 0 "[ . 1 . 2 . 3]" 1
389 2 6 LEU QB 2 11 LEU HA 3.860 . 3.860 2.627 2.150 3.044 . 0 0 "[ . 1 . 2 . 3]" 1
390 2 6 LEU QD 2 7 CYS H 4.590 . 4.590 3.985 3.153 4.560 . 0 0 "[ . 1 . 2 . 3]" 1
391 2 6 LEU QD 2 10 HIS HB2 3.900 . 3.900 2.970 2.385 3.872 . 0 0 "[ . 1 . 2 . 3]" 1
392 2 6 LEU QD 2 10 HIS HB3 3.510 . 3.510 2.448 2.017 3.270 . 0 0 "[ . 1 . 2 . 3]" 1
393 2 6 LEU QD 2 11 LEU H 5.020 . 5.020 3.949 3.128 4.626 . 0 0 "[ . 1 . 2 . 3]" 1
394 2 6 LEU QD 2 11 LEU HA 3.690 . 3.690 2.613 2.007 3.604 . 0 0 "[ . 1 . 2 . 3]" 1
395 2 6 LEU QD 2 11 LEU QB 4.660 . 4.660 3.760 3.197 4.870 0.210 27 0 "[ . 1 . 2 . 3]" 1
396 2 6 LEU QD 2 11 LEU HG 4.960 . 4.960 4.257 2.582 5.354 0.394 3 0 "[ . 1 . 2 . 3]" 1
397 2 6 LEU QD 2 11 LEU QD 4.580 . 4.580 2.833 2.001 4.511 . 0 0 "[ . 1 . 2 . 3]" 1
398 2 6 LEU QD 2 14 ALA H 4.460 . 4.460 3.557 3.087 3.924 . 0 0 "[ . 1 . 2 . 3]" 1
399 2 6 LEU QD 2 14 ALA MB 3.050 . 3.050 1.985 1.829 2.283 . 0 0 "[ . 1 . 2 . 3]" 1
400 2 9 SER HA 2 12 VAL QG 3.830 . 3.830 2.790 2.092 3.968 0.138 28 0 "[ . 1 . 2 . 3]" 1
401 2 10 HIS HA 2 13 GLU QG 4.650 . 4.650 3.226 2.155 4.434 . 0 0 "[ . 1 . 2 . 3]" 1
402 2 10 HIS HB2 2 11 LEU QB 5.020 . 5.020 4.415 4.099 4.646 . 0 0 "[ . 1 . 2 . 3]" 1
403 2 11 LEU H 2 11 LEU QB 3.400 . 3.400 2.221 2.119 2.300 . 0 0 "[ . 1 . 2 . 3]" 1
404 2 11 LEU H 2 11 LEU QD 4.630 . 4.630 3.725 3.614 3.823 . 0 0 "[ . 1 . 2 . 3]" 1
405 2 11 LEU HA 2 11 LEU QD 3.080 . 3.080 2.422 2.056 3.139 0.059 21 0 "[ . 1 . 2 . 3]" 1
406 2 11 LEU QB 2 11 LEU QD 2.780 . 2.780 1.929 1.844 1.994 . 0 0 "[ . 1 . 2 . 3]" 1
407 2 11 LEU QB 2 12 VAL H 3.750 . 3.750 2.628 2.389 2.822 . 0 0 "[ . 1 . 2 . 3]" 1
408 2 11 LEU QB 2 12 VAL HA 4.810 . 4.810 4.049 3.884 4.257 . 0 0 "[ . 1 . 2 . 3]" 1
409 2 11 LEU QB 2 15 LEU QD 5.280 . 5.280 3.867 3.596 4.279 . 0 0 "[ . 1 . 2 . 3]" 1
410 2 11 LEU HG 2 15 LEU QD 4.110 . 4.110 2.462 2.045 3.170 . 0 0 "[ . 1 . 2 . 3]" 1
411 2 11 LEU QD 2 12 VAL H 4.780 . 4.780 3.902 3.228 4.204 . 0 0 "[ . 1 . 2 . 3]" 1
412 2 11 LEU QD 2 14 ALA H 5.150 . 5.150 4.691 4.182 5.173 0.023 20 0 "[ . 1 . 2 . 3]" 1
413 2 11 LEU QD 2 14 ALA MB 4.070 . 4.070 3.191 2.433 4.177 0.107 28 0 "[ . 1 . 2 . 3]" 1
414 2 11 LEU QD 2 15 LEU H 4.630 . 4.630 4.121 3.710 4.681 0.051 22 0 "[ . 1 . 2 . 3]" 1
415 2 11 LEU QD 2 15 LEU HG 4.040 . 4.040 3.372 2.741 4.208 0.168 16 0 "[ . 1 . 2 . 3]" 1
416 2 11 LEU QD 2 15 LEU QD 3.640 . 3.640 2.435 1.985 2.822 . 0 0 "[ . 1 . 2 . 3]" 1
417 2 12 VAL H 2 12 VAL QG 3.330 . 3.330 2.081 1.907 2.344 . 0 0 "[ . 1 . 2 . 3]" 1
418 2 12 VAL HA 2 12 VAL QG 2.850 . 2.850 2.156 2.101 2.230 . 0 0 "[ . 1 . 2 . 3]" 1
419 2 12 VAL HA 2 15 LEU QD 3.820 . 3.820 3.099 2.332 3.950 0.130 26 0 "[ . 1 . 2 . 3]" 1
420 2 12 VAL QG 2 13 GLU H 3.620 . 3.620 3.233 3.118 3.394 . 0 0 "[ . 1 . 2 . 3]" 1
421 2 12 VAL QG 2 13 GLU HA 3.760 . 3.760 3.567 3.183 3.820 0.060 24 0 "[ . 1 . 2 . 3]" 1
422 2 12 VAL QG 2 15 LEU QD 4.780 . 4.780 3.737 3.157 4.421 . 0 0 "[ . 1 . 2 . 3]" 1
423 2 12 VAL QG 2 16 TYR QD 4.590 . 4.590 4.413 3.605 4.825 0.235 19 0 "[ . 1 . 2 . 3]" 1
424 2 12 VAL QG 2 24 PHE QD 5.390 . 5.390 3.629 3.086 4.342 . 0 0 "[ . 1 . 2 . 3]" 1
425 2 13 GLU H 2 13 GLU QG 3.630 . 3.630 2.495 2.003 3.963 0.333 25 0 "[ . 1 . 2 . 3]" 1
426 2 13 GLU HA 2 13 GLU QG 3.590 . 3.590 2.445 2.252 2.699 . 0 0 "[ . 1 . 2 . 3]" 1
427 2 13 GLU QG 2 14 ALA H 4.680 . 4.680 4.099 3.251 4.570 . 0 0 "[ . 1 . 2 . 3]" 1
428 2 15 LEU H 2 15 LEU QD 3.670 . 3.670 2.941 2.348 3.281 . 0 0 "[ . 1 . 2 . 3]" 1
429 2 15 LEU HA 2 15 LEU QD 2.970 . 2.970 2.118 1.960 2.311 . 0 0 "[ . 1 . 2 . 3]" 1
430 2 15 LEU HB3 2 24 PHE QB 4.730 . 4.730 3.009 2.639 3.671 . 0 0 "[ . 1 . 2 . 3]" 1
431 2 15 LEU QD 2 18 VAL HB 3.930 . 3.930 3.778 3.069 4.164 0.234 13 0 "[ . 1 . 2 . 3]" 1
432 2 15 LEU QD 2 18 VAL MG1 4.320 . 4.320 4.201 3.541 4.630 0.310 20 0 "[ . 1 . 2 . 3]" 1
433 2 15 LEU QD 2 18 VAL MG2 4.590 . 4.590 4.396 3.723 4.809 0.219 15 0 "[ . 1 . 2 . 3]" 1
434 2 15 LEU QD 2 19 CYS H 4.900 . 4.900 4.058 3.574 4.481 . 0 0 "[ . 1 . 2 . 3]" 1
435 2 15 LEU QD 2 24 PHE QB 4.180 . 4.180 2.201 1.930 2.768 . 0 0 "[ . 1 . 2 . 3]" 1
436 2 15 LEU MD1 2 24 PHE HB2 6.400 . 6.400 3.048 2.148 4.179 . 0 0 "[ . 1 . 2 . 3]" 1
437 2 15 LEU QD 2 24 PHE QD 4.200 . 4.200 2.958 2.339 3.545 . 0 0 "[ . 1 . 2 . 3]" 1
438 2 15 LEU QD 2 24 PHE QE 5.440 . 5.440 4.083 3.412 4.552 . 0 0 "[ . 1 . 2 . 3]" 1
439 2 16 TYR QB 2 17 LEU QB 4.460 . 4.460 4.308 4.107 4.494 0.034 14 0 "[ . 1 . 2 . 3]" 1
440 2 16 TYR QD 2 17 LEU QB 5.340 . 5.340 4.638 4.203 5.190 . 0 0 "[ . 1 . 2 . 3]" 1
441 2 16 TYR QD 2 17 LEU QD 4.440 . 4.440 3.114 2.561 3.881 . 0 0 "[ . 1 . 2 . 3]" 1
442 2 17 LEU H 2 17 LEU QB 3.560 . 3.560 2.314 2.119 2.413 . 0 0 "[ . 1 . 2 . 3]" 1
443 2 17 LEU QB 2 18 VAL H 3.830 . 3.830 2.696 2.425 2.966 . 0 0 "[ . 1 . 2 . 3]" 1
444 2 17 LEU QB 2 18 VAL HA 4.670 . 4.670 3.824 3.667 4.050 . 0 0 "[ . 1 . 2 . 3]" 1
445 2 19 CYS H 2 19 CYS QB 3.280 . 3.280 2.503 2.160 3.186 . 0 0 "[ . 1 . 2 . 3]" 1
446 2 19 CYS QB 2 20 GLY H 4.070 . 4.070 3.124 2.166 4.106 0.036 23 0 "[ . 1 . 2 . 3]" 1
447 2 19 CYS QB 2 22 ARG H 4.430 . 4.430 3.640 2.573 4.221 . 0 0 "[ . 1 . 2 . 3]" 1
448 2 19 CYS QB 2 22 ARG HA 5.340 . 5.340 4.649 2.757 5.398 0.058 15 0 "[ . 1 . 2 . 3]" 1
449 2 19 CYS QB 2 23 GLY H 4.880 . 4.880 3.677 2.322 4.758 . 0 0 "[ . 1 . 2 . 3]" 1
450 2 22 ARG H 2 22 ARG QB 3.470 . 3.470 2.849 2.276 3.507 0.037 6 0 "[ . 1 . 2 . 3]" 1
451 2 22 ARG H 2 22 ARG QG 3.630 . 3.630 2.551 1.848 3.497 . 0 0 "[ . 1 . 2 . 3]" 1
452 2 22 ARG HA 2 22 ARG QD 4.460 . 4.460 4.009 2.062 4.493 0.033 2 0 "[ . 1 . 2 . 3]" 1
453 2 22 ARG QB 2 22 ARG QD 3.250 . 3.250 2.211 2.036 2.401 . 0 0 "[ . 1 . 2 . 3]" 1
454 2 22 ARG QB 2 23 GLY H 4.070 . 4.070 3.118 1.879 4.021 . 0 0 "[ . 1 . 2 . 3]" 1
455 2 23 GLY QA 2 24 PHE QD 3.970 . 3.970 3.656 3.168 4.309 0.339 29 0 "[ . 1 . 2 . 3]" 1
456 2 24 PHE QB 2 25 PHE H 3.670 . 3.670 2.724 2.345 3.671 0.001 21 0 "[ . 1 . 2 . 3]" 1
457 2 27 THR HA 2 28 PRO QD 2.920 . 2.920 2.391 2.055 2.635 . 0 0 "[ . 1 . 2 . 3]" 1
458 2 27 THR HB 2 28 PRO QD 3.190 . 3.190 2.224 1.893 2.854 . 0 0 "[ . 1 . 2 . 3]" 1
459 2 27 THR MG 2 28 PRO QD 3.570 . 3.570 3.175 2.382 3.649 0.079 15 0 "[ . 1 . 2 . 3]" 1
460 1 21 ASN HD21 2 23 GLY HA2 5.000 . 5.000 3.613 2.357 5.067 0.067 10 0 "[ . 1 . 2 . 3]" 1
461 2 12 VAL MG1 2 16 TYR QD 4.600 . 4.600 4.473 3.629 4.911 0.311 19 0 "[ . 1 . 2 . 3]" 1
462 2 1 PHE QD 2 2 VAL HA 5.000 . 5.000 4.480 3.829 4.982 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 12 SER HA 2 1 PHE QE 5.000 . 5.000 3.839 2.738 4.585 . 0 0 "[ . 1 . 2 . 3]" 1
464 2 1 PHE QE 2 3 ASN HA 5.000 . 5.000 2.992 2.144 4.426 . 0 0 "[ . 1 . 2 . 3]" 1
465 2 2 VAL HA 2 3 ASN HA 5.000 . 5.000 4.466 4.152 5.094 0.094 6 0 "[ . 1 . 2 . 3]" 1
466 2 7 CYS HA 2 11 LEU MD1 5.000 . 5.000 3.915 2.206 5.483 0.483 17 0 "[ . 1 . 2 . 3]" 1
467 1 16 LEU MD1 2 1 PHE HA 4.500 . 4.500 4.870 4.611 4.997 0.497 8 0 "[ . 1 . 2 . 3]" 1
468 2 19 CYS HB2 2 23 GLY H 5.000 . 5.000 4.260 2.812 5.458 0.458 11 0 "[ . 1 . 2 . 3]" 1
469 1 7 CYS HB3 2 7 CYS HA 5.000 . 5.000 4.631 4.133 5.493 0.493 3 0 "[ . 1 . 2 . 3]" 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 9
_Distance_constraint_stats_list.Viol_count 28
_Distance_constraint_stats_list.Viol_total 13.623
_Distance_constraint_stats_list.Viol_max 0.047
_Distance_constraint_stats_list.Viol_rms 0.0066
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0162
_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 6 CYS 0.084 0.034 25 0 "[ . 1 . 2 . 3]"
1 7 CYS 0.190 0.047 17 0 "[ . 1 . 2 . 3]"
1 11 CYS 0.084 0.034 25 0 "[ . 1 . 2 . 3]"
1 20 CYS 0.181 0.047 22 0 "[ . 1 . 2 . 3]"
2 7 CYS 0.190 0.047 17 0 "[ . 1 . 2 . 3]"
2 19 CYS 0.181 0.047 22 0 "[ . 1 . 2 . 3]"
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 6 CYS SG 1 11 CYS SG 2.050 . 2.100 2.029 2.007 2.064 . 0 0 "[ . 1 . 2 . 3]" 2
2 1 6 CYS SG 1 11 CYS CB 3.050 3.000 3.100 3.040 2.988 3.089 0.012 28 0 "[ . 1 . 2 . 3]" 2
3 1 6 CYS CB 1 11 CYS SG 3.050 3.000 3.100 3.058 2.966 3.119 0.034 25 0 "[ . 1 . 2 . 3]" 2
4 1 7 CYS SG 2 7 CYS SG 2.050 . 2.100 2.032 1.994 2.065 0.006 17 0 "[ . 1 . 2 . 3]" 2
5 1 7 CYS SG 2 7 CYS CB 3.050 3.000 3.100 3.043 2.978 3.113 0.022 27 0 "[ . 1 . 2 . 3]" 2
6 1 7 CYS CB 2 7 CYS SG 3.050 3.000 3.100 3.035 2.953 3.103 0.047 17 0 "[ . 1 . 2 . 3]" 2
7 1 20 CYS SG 2 19 CYS SG 2.050 . 2.100 2.030 2.006 2.048 . 0 0 "[ . 1 . 2 . 3]" 2
8 1 20 CYS SG 2 19 CYS CB 3.050 3.000 3.100 3.051 2.953 3.133 0.047 22 0 "[ . 1 . 2 . 3]" 2
9 1 20 CYS CB 2 19 CYS SG 3.050 3.000 3.100 3.071 2.990 3.119 0.019 12 0 "[ . 1 . 2 . 3]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 30
_Distance_constraint_stats_list.Viol_count 332
_Distance_constraint_stats_list.Viol_total 653.423
_Distance_constraint_stats_list.Viol_max 0.451
_Distance_constraint_stats_list.Viol_rms 0.0493
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0242
_Distance_constraint_stats_list.Viol_average_violations_only 0.0656
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ILE 1.116 0.149 16 0 "[ . 1 . 2 . 3]"
1 3 VAL 0.978 0.166 17 0 "[ . 1 . 2 . 3]"
1 4 GLU 0.981 0.148 27 0 "[ . 1 . 2 . 3]"
1 6 CYS 1.116 0.149 16 0 "[ . 1 . 2 . 3]"
1 7 CYS 6.374 0.451 25 0 "[ . 1 . 2 . 3]"
1 8 THR 0.981 0.148 27 0 "[ . 1 . 2 . 3]"
1 9 SER 5.396 0.451 25 0 "[ . 1 . 2 . 3]"
1 12 SER 1.821 0.165 15 0 "[ . 1 . 2 . 3]"
1 13 LEU 0.536 0.068 29 0 "[ . 1 . 2 . 3]"
1 14 TYR 3.316 0.247 16 0 "[ . 1 . 2 . 3]"
1 16 LEU 3.874 0.165 15 0 "[ . 1 . 2 . 3]"
1 17 GLU 1.624 0.154 11 0 "[ . 1 . 2 . 3]"
1 18 ASN 3.316 0.247 16 0 "[ . 1 . 2 . 3]"
1 19 TYR 2.054 0.154 27 0 "[ . 1 . 2 . 3]"
1 20 CYS 1.088 0.154 11 0 "[ . 1 . 2 . 3]"
2 10 HIS 0.435 0.154 13 0 "[ . 1 . 2 . 3]"
2 11 LEU 1.748 0.177 30 0 "[ . 1 . 2 . 3]"
2 12 VAL 0.095 0.032 9 0 "[ . 1 . 2 . 3]"
2 13 GLU 0.351 0.068 11 0 "[ . 1 . 2 . 3]"
2 14 ALA 1.696 0.154 13 0 "[ . 1 . 2 . 3]"
2 15 LEU 2.354 0.177 30 0 "[ . 1 . 2 . 3]"
2 16 TYR 0.095 0.032 9 0 "[ . 1 . 2 . 3]"
2 17 LEU 0.351 0.068 11 0 "[ . 1 . 2 . 3]"
2 18 VAL 1.260 0.112 26 0 "[ . 1 . 2 . 3]"
2 19 CYS 0.606 0.137 10 0 "[ . 1 . 2 . 3]"
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 2 ILE O 1 6 CYS H 1.900 . 2.000 2.000 1.824 2.149 0.149 16 0 "[ . 1 . 2 . 3]" 3
2 1 2 ILE O 1 6 CYS N 2.850 2.700 3.000 2.928 2.792 3.050 0.050 22 0 "[ . 1 . 2 . 3]" 3
3 1 3 VAL O 1 7 CYS H 1.900 . 2.000 2.008 1.785 2.166 0.166 17 0 "[ . 1 . 2 . 3]" 3
4 1 3 VAL O 1 7 CYS N 2.850 2.700 3.000 2.934 2.813 3.056 0.056 17 0 "[ . 1 . 2 . 3]" 3
5 1 4 GLU O 1 8 THR H 1.900 . 2.000 1.969 1.823 2.148 0.148 27 0 "[ . 1 . 2 . 3]" 3
6 1 4 GLU O 1 8 THR N 2.850 2.700 3.000 2.936 2.799 3.119 0.119 27 0 "[ . 1 . 2 . 3]" 3
7 1 7 CYS O 1 9 SER H 1.900 . 2.000 2.170 1.892 2.451 0.451 25 0 "[ . 1 . 2 . 3]" 3
8 1 7 CYS O 1 9 SER N 2.850 2.700 3.000 2.917 2.781 3.072 0.072 14 0 "[ . 1 . 2 . 3]" 3
9 1 12 SER O 1 16 LEU H 1.900 . 2.000 2.030 1.865 2.165 0.165 15 0 "[ . 1 . 2 . 3]" 3
10 1 12 SER O 1 16 LEU N 2.850 2.700 3.000 2.977 2.827 3.098 0.098 24 0 "[ . 1 . 2 . 3]" 3
11 1 13 LEU O 1 17 GLU H 1.900 . 2.000 1.933 1.741 2.068 0.068 29 0 "[ . 1 . 2 . 3]" 3
12 1 13 LEU O 1 17 GLU N 2.850 2.700 3.000 2.910 2.775 3.041 0.041 3 0 "[ . 1 . 2 . 3]" 3
13 1 14 TYR O 1 18 ASN H 1.900 . 2.000 2.108 2.026 2.247 0.247 16 0 "[ . 1 . 2 . 3]" 3
14 1 14 TYR O 1 18 ASN N 2.850 2.700 3.000 2.961 2.864 3.034 0.034 23 0 "[ . 1 . 2 . 3]" 3
15 1 16 LEU O 1 19 TYR H 1.900 . 2.000 2.031 1.926 2.154 0.154 27 0 "[ . 1 . 2 . 3]" 3
16 1 16 LEU O 1 19 TYR N 2.850 2.700 3.000 3.005 2.888 3.140 0.140 11 0 "[ . 1 . 2 . 3]" 3
17 1 17 GLU O 1 20 CYS H 1.900 . 2.000 2.004 1.829 2.154 0.154 11 0 "[ . 1 . 2 . 3]" 3
18 1 17 GLU O 1 20 CYS N 2.850 2.700 3.000 2.918 2.779 3.041 0.041 20 0 "[ . 1 . 2 . 3]" 3
19 2 10 HIS O 2 14 ALA H 1.900 . 2.000 1.950 1.796 2.154 0.154 13 0 "[ . 1 . 2 . 3]" 3
20 2 10 HIS O 2 14 ALA N 2.850 2.700 3.000 2.906 2.805 3.063 0.063 13 0 "[ . 1 . 2 . 3]" 3
21 2 11 LEU O 2 15 LEU H 1.900 . 2.000 2.002 1.874 2.159 0.159 30 0 "[ . 1 . 2 . 3]" 3
22 2 11 LEU O 2 15 LEU N 2.850 2.700 3.000 2.998 2.860 3.177 0.177 30 0 "[ . 1 . 2 . 3]" 3
23 2 12 VAL O 2 16 TYR H 1.900 . 2.000 1.947 1.838 2.032 0.032 9 0 "[ . 1 . 2 . 3]" 3
24 2 12 VAL O 2 16 TYR N 2.850 2.700 3.000 2.913 2.798 2.985 . 0 0 "[ . 1 . 2 . 3]" 3
25 2 13 GLU O 2 17 LEU H 1.900 . 2.000 1.952 1.863 2.068 0.068 11 0 "[ . 1 . 2 . 3]" 3
26 2 13 GLU O 2 17 LEU N 2.850 2.700 3.000 2.916 2.813 3.044 0.044 11 0 "[ . 1 . 2 . 3]" 3
27 2 14 ALA O 2 18 VAL H 1.900 . 2.000 2.027 1.876 2.112 0.112 26 0 "[ . 1 . 2 . 3]" 3
28 2 14 ALA O 2 18 VAL N 2.850 2.700 3.000 2.966 2.847 3.040 0.040 12 0 "[ . 1 . 2 . 3]" 3
29 2 15 LEU O 2 19 CYS H 1.900 . 2.000 1.957 1.776 2.137 0.137 10 0 "[ . 1 . 2 . 3]" 3
30 2 15 LEU O 2 19 CYS N 2.850 2.700 3.000 2.908 2.751 3.051 0.051 10 0 "[ . 1 . 2 . 3]" 3
stop_
save_
Contact the webmaster for help, if required. Friday, June 21, 2024 8:25:40 PM GMT (wattos1)