NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
378671 |
1his   |
1344 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1his
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 311
_Distance_constraint_stats_list.Viol_count 705
_Distance_constraint_stats_list.Viol_total 717.296
_Distance_constraint_stats_list.Viol_max 0.384
_Distance_constraint_stats_list.Viol_rms 0.0313
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0103
_Distance_constraint_stats_list.Viol_average_violations_only 0.0678
_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 1.323 0.104 3 0 "[ . 1 .]"
1 3 VAL 0.633 0.107 1 0 "[ . 1 .]"
1 4 GLU 1.460 0.152 6 0 "[ . 1 .]"
1 5 GLN 1.184 0.107 15 0 "[ . 1 .]"
1 6 CYS 3.483 0.183 10 0 "[ . 1 .]"
1 7 CYS 3.519 0.151 15 0 "[ . 1 .]"
1 8 THR 2.468 0.151 15 0 "[ . 1 .]"
1 9 SER 0.982 0.124 2 0 "[ . 1 .]"
1 10 ILE 1.402 0.145 13 0 "[ . 1 .]"
1 11 CYS 3.147 0.183 10 0 "[ . 1 .]"
1 12 SER 0.107 0.036 7 0 "[ . 1 .]"
1 13 LEU 1.634 0.159 13 0 "[ . 1 .]"
1 14 TYR 2.975 0.159 13 0 "[ . 1 .]"
1 15 GLN 1.988 0.115 6 0 "[ . 1 .]"
1 16 LEU 1.510 0.110 10 0 "[ . 1 .]"
1 17 GLU 1.278 0.114 15 0 "[ . 1 .]"
1 18 ASN 0.934 0.114 15 0 "[ . 1 .]"
1 19 TYR 0.664 0.104 3 0 "[ . 1 .]"
1 20 CYS 1.707 0.178 12 0 "[ . 1 .]"
1 21 ASN 0.969 0.117 11 0 "[ . 1 .]"
2 1 PHE 0.172 0.085 3 0 "[ . 1 .]"
2 2 VAL 1.309 0.216 9 0 "[ . 1 .]"
2 3 ASN 1.249 0.216 9 0 "[ . 1 .]"
2 4 GLN 1.330 0.145 13 0 "[ . 1 .]"
2 5 HIS 1.546 0.124 2 0 "[ . 1 .]"
2 6 LEU 2.186 0.384 9 0 "[ . 1 .]"
2 7 CYS 3.438 0.384 9 0 "[ . 1 .]"
2 8 GLY 1.260 0.138 5 0 "[ . 1 .]"
2 9 SER 2.071 0.144 2 0 "[ . 1 .]"
2 10 HIS 4.108 0.246 11 0 "[ . 1 .]"
2 11 LEU 1.613 0.146 7 0 "[ . 1 .]"
2 12 VAL 6.972 0.219 12 0 "[ . 1 .]"
2 13 GLU 6.112 0.246 11 0 "[ . 1 .]"
2 14 ALA 4.205 0.212 8 0 "[ . 1 .]"
2 15 LEU 4.609 0.219 12 0 "[ . 1 .]"
2 16 TYR 1.104 0.132 14 0 "[ . 1 .]"
2 17 LEU 1.822 0.140 7 0 "[ . 1 .]"
2 18 VAL 2.991 0.161 7 0 "[ . 1 .]"
2 19 CYS 5.347 0.178 12 0 "[ . 1 .]"
2 20 GLY 3.342 0.134 5 0 "[ . 1 .]"
2 21 GLU 1.229 0.120 11 0 "[ . 1 .]"
2 22 ARG 1.406 0.134 5 0 "[ . 1 .]"
2 23 GLY 1.381 0.120 11 0 "[ . 1 .]"
2 24 PHE 1.041 0.110 12 0 "[ . 1 .]"
2 25 PHE 0.434 0.091 8 0 "[ . 1 .]"
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 H 1 3 VAL H . . 4.300 3.060 1.954 3.574 . 0 0 "[ . 1 .]" 1
2 1 2 ILE HA 1 3 VAL H . . 3.400 2.906 2.260 3.491 0.091 1 0 "[ . 1 .]" 1
3 1 2 ILE HA 1 4 GLU H . . 4.300 3.793 3.198 4.372 0.072 15 0 "[ . 1 .]" 1
4 1 2 ILE HA 1 5 GLN H . . 4.300 4.179 3.452 4.385 0.085 6 0 "[ . 1 .]" 1
5 1 2 ILE HA 1 5 GLN HB3 . . 4.300 3.833 2.827 4.390 0.090 10 0 "[ . 1 .]" 1
6 1 2 ILE HB 1 19 TYR HD2 . . 3.400 3.378 3.089 3.504 0.104 3 0 "[ . 1 .]" 1
7 1 2 ILE MG 1 3 VAL H . . 6.000 3.799 1.713 4.291 . 0 0 "[ . 1 .]" 1
8 1 2 ILE MG 1 19 TYR HD2 . . 5.300 3.689 2.691 4.516 . 0 0 "[ . 1 .]" 1
9 1 3 VAL H 1 4 GLU H . . 3.400 2.305 1.865 2.900 . 0 0 "[ . 1 .]" 1
10 1 3 VAL H 1 5 GLN H . . 4.300 4.004 3.667 4.374 0.074 4 0 "[ . 1 .]" 1
11 1 3 VAL HA 1 4 GLU H . . 4.300 3.405 2.883 3.565 . 0 0 "[ . 1 .]" 1
12 1 3 VAL HA 1 5 GLN H . . 4.300 3.734 3.367 4.323 0.023 5 0 "[ . 1 .]" 1
13 1 3 VAL HA 1 7 CYS H . . 4.300 4.029 3.361 4.407 0.107 1 0 "[ . 1 .]" 1
14 1 3 VAL HA 2 11 LEU MD1 . . 4.400 2.208 1.896 2.790 . 0 0 "[ . 1 .]" 1
15 1 3 VAL MG1 1 4 GLU H . . 5.300 2.511 1.837 3.516 . 0 0 "[ . 1 .]" 1
16 1 4 GLU H 1 5 GLN H . . 3.400 2.543 1.783 2.926 . 0 0 "[ . 1 .]" 1
17 1 4 GLU HA 1 5 GLN H . . 4.300 3.117 2.852 3.462 . 0 0 "[ . 1 .]" 1
18 1 4 GLU HA 1 6 CYS H . . 4.300 4.378 4.323 4.452 0.152 6 0 "[ . 1 .]" 1
19 1 4 GLU HA 1 7 CYS H . . 4.300 3.496 2.947 4.034 . 0 0 "[ . 1 .]" 1
20 1 4 GLU HB2 1 5 GLN H . . 5.100 4.036 2.053 4.470 . 0 0 "[ . 1 .]" 1
21 1 4 GLU HB3 1 5 GLN H . . 5.100 4.208 2.776 4.602 . 0 0 "[ . 1 .]" 1
22 1 4 GLU HG2 1 5 GLN H . . 4.300 3.813 2.840 4.407 0.107 15 0 "[ . 1 .]" 1
23 1 4 GLU HG3 1 5 GLN H . . 4.300 3.745 3.289 4.300 . 0 0 "[ . 1 .]" 1
24 1 5 GLN H 1 6 CYS H . . 3.400 2.131 1.880 3.112 . 0 0 "[ . 1 .]" 1
25 1 5 GLN H 1 7 CYS H . . 4.300 3.505 2.902 4.347 0.047 5 0 "[ . 1 .]" 1
26 1 5 GLN HA 1 6 CYS H . . 4.300 3.463 3.397 3.518 . 0 0 "[ . 1 .]" 1
27 1 5 GLN HA 1 8 THR HB . . 4.300 4.240 3.518 4.370 0.070 1 0 "[ . 1 .]" 1
28 1 5 GLN HB2 1 6 CYS H . . 5.100 3.710 3.467 3.962 . 0 0 "[ . 1 .]" 1
29 1 5 GLN HB3 1 6 CYS H . . 5.100 2.429 2.102 2.743 . 0 0 "[ . 1 .]" 1
30 1 6 CYS H 1 7 CYS H . . 3.400 2.704 2.474 3.067 . 0 0 "[ . 1 .]" 1
31 1 6 CYS H 1 11 CYS HB2 . . 4.300 4.438 4.387 4.483 0.183 10 0 "[ . 1 .]" 1
32 1 6 CYS H 1 11 CYS HB3 . . 4.300 3.886 3.293 4.434 0.134 11 0 "[ . 1 .]" 1
33 1 6 CYS HA 1 10 ILE HA . . 4.300 3.641 2.277 4.293 . 0 0 "[ . 1 .]" 1
34 1 6 CYS HA 1 11 CYS HB2 . . 6.000 3.333 2.498 3.787 . 0 0 "[ . 1 .]" 1
35 1 6 CYS HA 1 11 CYS HB3 . . 6.000 2.067 1.758 4.361 . 0 0 "[ . 1 .]" 1
36 1 6 CYS HB2 1 7 CYS H . . 4.300 3.528 3.187 3.780 . 0 0 "[ . 1 .]" 1
37 1 6 CYS HB2 2 11 LEU MD2 . . 3.400 2.379 1.968 2.807 . 0 0 "[ . 1 .]" 1
38 1 6 CYS HB3 2 6 LEU HB2 . . 3.400 2.637 2.099 3.406 0.006 14 0 "[ . 1 .]" 1
39 1 6 CYS HB3 2 6 LEU MD2 . . 5.300 4.505 4.107 5.030 . 0 0 "[ . 1 .]" 1
40 1 7 CYS H 1 8 THR H . . 3.400 1.680 1.527 1.866 . 0 0 "[ . 1 .]" 1
41 1 7 CYS H 1 8 THR HA . . 4.300 4.422 4.376 4.451 0.151 15 0 "[ . 1 .]" 1
42 1 7 CYS H 1 8 THR HB . . 4.300 3.833 3.412 4.301 0.001 11 0 "[ . 1 .]" 1
43 1 7 CYS H 1 8 THR MG . . 5.300 4.928 3.231 5.103 . 0 0 "[ . 1 .]" 1
44 1 7 CYS HA 2 5 HIS HA . . 4.300 2.973 1.955 3.918 . 0 0 "[ . 1 .]" 1
45 1 7 CYS HA 2 5 HIS HB3 . . 3.400 2.143 1.818 3.031 . 0 0 "[ . 1 .]" 1
46 1 7 CYS HA 2 6 LEU H . . 4.300 2.228 1.623 2.935 . 0 0 "[ . 1 .]" 1
47 1 7 CYS HB2 2 7 CYS HA . . 4.300 2.371 1.900 3.081 . 0 0 "[ . 1 .]" 1
48 1 7 CYS HB3 1 8 THR H . . 3.400 2.976 2.268 3.455 0.055 2 0 "[ . 1 .]" 1
49 1 7 CYS HB3 2 7 CYS H . . 4.300 4.387 4.321 4.443 0.143 13 0 "[ . 1 .]" 1
50 1 8 THR H 1 9 SER H . . 3.400 2.665 1.827 3.150 . 0 0 "[ . 1 .]" 1
51 1 8 THR HA 1 9 SER H . . 4.300 2.874 2.331 3.442 . 0 0 "[ . 1 .]" 1
52 1 8 THR HB 1 9 SER H . . 4.300 3.698 2.633 4.333 0.033 1 0 "[ . 1 .]" 1
53 1 9 SER H 2 5 HIS HB3 . . 4.300 4.327 3.925 4.424 0.124 2 0 "[ . 1 .]" 1
54 1 9 SER HA 1 10 ILE H . . 3.400 2.765 2.518 3.043 . 0 0 "[ . 1 .]" 1
55 1 9 SER HA 1 10 ILE MD . . 4.300 3.382 2.638 3.832 . 0 0 "[ . 1 .]" 1
56 1 9 SER HB2 1 10 ILE H . . 4.300 3.098 1.916 3.645 . 0 0 "[ . 1 .]" 1
57 1 9 SER HB3 1 10 ILE H . . 4.300 2.557 1.856 3.536 . 0 0 "[ . 1 .]" 1
58 1 10 ILE H 1 11 CYS H . . 4.300 3.521 2.095 4.438 0.138 6 0 "[ . 1 .]" 1
59 1 10 ILE HA 1 11 CYS H . . 3.400 2.658 2.074 3.448 0.048 1 0 "[ . 1 .]" 1
60 1 10 ILE HB 1 11 CYS H . . 4.300 3.222 2.049 4.299 . 0 0 "[ . 1 .]" 1
61 1 10 ILE HB 2 4 GLN H . . 5.500 5.401 4.204 5.645 0.145 13 0 "[ . 1 .]" 1
62 1 10 ILE MG 1 11 CYS H . . 5.300 2.847 1.888 4.063 . 0 0 "[ . 1 .]" 1
63 1 10 ILE MG 2 3 ASN HA . . 5.300 2.770 1.887 4.005 . 0 0 "[ . 1 .]" 1
64 1 10 ILE MG 2 3 ASN HB2 . . 7.000 3.458 1.852 5.040 . 0 0 "[ . 1 .]" 1
65 1 10 ILE MG 2 3 ASN HB3 . . 7.000 3.014 1.864 4.596 . 0 0 "[ . 1 .]" 1
66 1 10 ILE MG 2 4 GLN H . . 6.000 2.507 1.623 3.226 . 0 0 "[ . 1 .]" 1
67 1 10 ILE MG 2 4 GLN HA . . 4.400 3.273 2.573 3.888 . 0 0 "[ . 1 .]" 1
68 1 11 CYS HB2 1 12 SER H . . 6.000 2.860 2.429 3.264 . 0 0 "[ . 1 .]" 1
69 1 11 CYS HB3 1 12 SER H . . 6.000 3.818 2.214 4.202 . 0 0 "[ . 1 .]" 1
70 1 12 SER H 1 15 GLN H . . 4.300 3.679 3.167 4.070 . 0 0 "[ . 1 .]" 1
71 1 12 SER H 1 15 GLN HB2 . . 2.700 2.132 1.652 2.711 0.011 7 0 "[ . 1 .]" 1
72 1 12 SER H 1 16 LEU H . . 4.300 4.097 3.795 4.336 0.036 7 0 "[ . 1 .]" 1
73 1 12 SER HA 1 13 LEU H . . 2.700 2.562 2.300 2.721 0.021 15 0 "[ . 1 .]" 1
74 1 12 SER HA 1 13 LEU HB2 . . 6.000 4.868 4.088 5.888 . 0 0 "[ . 1 .]" 1
75 1 12 SER HA 1 13 LEU HB3 . . 6.000 4.908 4.325 5.897 . 0 0 "[ . 1 .]" 1
76 1 12 SER HB2 1 13 LEU H . . 2.700 2.128 1.866 2.370 . 0 0 "[ . 1 .]" 1
77 1 13 LEU H 1 14 TYR H . . 3.400 2.449 2.143 2.752 . 0 0 "[ . 1 .]" 1
78 1 13 LEU H 1 15 GLN H . . 4.300 4.047 3.589 4.321 0.021 6 0 "[ . 1 .]" 1
79 1 13 LEU HA 1 14 TYR H . . 3.400 3.180 2.872 3.447 0.047 11 0 "[ . 1 .]" 1
80 1 13 LEU HA 1 16 LEU H . . 3.400 3.349 2.998 3.510 0.110 10 0 "[ . 1 .]" 1
81 1 13 LEU HA 1 16 LEU HB2 . . 4.300 3.315 2.298 4.097 . 0 0 "[ . 1 .]" 1
82 1 13 LEU HA 1 16 LEU HB3 . . 4.300 2.588 2.117 3.767 . 0 0 "[ . 1 .]" 1
83 1 13 LEU HB2 1 14 TYR H . . 4.300 4.072 3.227 4.387 0.087 14 0 "[ . 1 .]" 1
84 1 13 LEU HB2 1 16 LEU H . . 6.000 5.539 5.110 5.921 . 0 0 "[ . 1 .]" 1
85 1 13 LEU HB3 1 14 TYR H . . 4.300 3.790 2.784 4.383 0.083 8 0 "[ . 1 .]" 1
86 1 13 LEU HB3 1 16 LEU H . . 6.000 5.541 5.197 5.895 . 0 0 "[ . 1 .]" 1
87 1 13 LEU MD1 2 1 PHE HD2 . . 9.100 5.896 4.376 7.897 . 0 0 "[ . 1 .]" 1
88 1 13 LEU MD2 2 1 PHE HD2 . . 9.100 5.612 2.738 7.738 . 0 0 "[ . 1 .]" 1
89 1 13 LEU HG 1 14 TYR H . . 4.300 4.219 3.732 4.459 0.159 13 0 "[ . 1 .]" 1
90 1 14 TYR H 1 15 GLN H . . 3.400 1.990 1.738 2.443 . 0 0 "[ . 1 .]" 1
91 1 14 TYR H 1 17 GLU H . . 4.300 4.225 3.604 4.386 0.086 4 0 "[ . 1 .]" 1
92 1 14 TYR HA 1 15 GLN H . . 4.300 3.473 3.421 3.521 . 0 0 "[ . 1 .]" 1
93 1 14 TYR HA 1 17 GLU H . . 4.300 3.321 2.739 3.872 . 0 0 "[ . 1 .]" 1
94 1 14 TYR HA 1 17 GLU HB2 . . 3.400 2.501 1.805 3.453 0.053 2 0 "[ . 1 .]" 1
95 1 14 TYR HA 1 17 GLU QG . . 4.300 3.191 2.152 3.845 . 0 0 "[ . 1 .]" 1
96 1 14 TYR HB2 1 15 GLN H . . 3.400 3.482 3.437 3.515 0.115 6 0 "[ . 1 .]" 1
97 1 14 TYR HD1 1 17 GLU QG . . 4.300 3.816 3.261 4.202 . 0 0 "[ . 1 .]" 1
98 1 15 GLN H 1 16 LEU H . . 3.400 2.590 2.376 2.864 . 0 0 "[ . 1 .]" 1
99 1 15 GLN H 1 17 GLU H . . 4.300 3.958 3.689 4.242 . 0 0 "[ . 1 .]" 1
100 1 15 GLN HA 1 16 LEU H . . 3.400 3.434 3.315 3.487 0.087 10 0 "[ . 1 .]" 1
101 1 15 GLN HA 1 17 GLU H . . 4.300 3.935 3.472 4.326 0.026 2 0 "[ . 1 .]" 1
102 1 15 GLN HA 1 18 ASN H . . 4.300 3.877 3.454 4.289 . 0 0 "[ . 1 .]" 1
103 1 15 GLN HA 1 18 ASN HB2 . . 6.000 4.253 2.804 6.049 0.049 10 0 "[ . 1 .]" 1
104 1 15 GLN HA 1 18 ASN HB3 . . 6.000 4.818 3.480 5.993 . 0 0 "[ . 1 .]" 1
105 1 15 GLN HB2 1 16 LEU H . . 5.100 2.786 2.134 3.304 . 0 0 "[ . 1 .]" 1
106 1 15 GLN HB3 1 16 LEU H . . 5.100 3.724 3.176 4.123 . 0 0 "[ . 1 .]" 1
107 1 16 LEU H 1 17 GLU H . . 3.400 2.442 1.966 2.884 . 0 0 "[ . 1 .]" 1
108 1 16 LEU HA 1 17 GLU H . . 3.400 3.242 2.743 3.459 0.059 5 0 "[ . 1 .]" 1
109 1 16 LEU HA 1 18 ASN H . . 4.300 4.241 3.886 4.372 0.072 8 0 "[ . 1 .]" 1
110 1 16 LEU HB2 1 17 GLU H . . 5.100 3.994 2.891 4.470 . 0 0 "[ . 1 .]" 1
111 1 16 LEU HB2 2 18 VAL MG1 . . 6.800 4.562 3.626 5.366 . 0 0 "[ . 1 .]" 1
112 1 16 LEU HB2 2 18 VAL MG2 . . 6.800 4.365 3.289 5.681 . 0 0 "[ . 1 .]" 1
113 1 16 LEU HB3 1 17 GLU H . . 5.100 3.297 2.393 4.116 . 0 0 "[ . 1 .]" 1
114 1 16 LEU HB3 2 18 VAL MG1 . . 6.800 3.558 2.043 4.520 . 0 0 "[ . 1 .]" 1
115 1 16 LEU HB3 2 18 VAL MG2 . . 6.800 2.983 2.026 4.360 . 0 0 "[ . 1 .]" 1
116 1 16 LEU MD1 1 19 TYR HD2 . . 6.000 4.081 2.893 5.518 . 0 0 "[ . 1 .]" 1
117 1 16 LEU MD1 2 14 ALA MB . . 5.400 3.332 2.103 4.104 . 0 0 "[ . 1 .]" 1
118 1 16 LEU MD1 2 18 VAL HB . . 7.000 4.218 2.343 5.283 . 0 0 "[ . 1 .]" 1
119 1 16 LEU MD2 2 14 ALA MB . . 5.400 2.454 1.910 3.865 . 0 0 "[ . 1 .]" 1
120 1 16 LEU MD2 2 18 VAL HB . . 7.000 3.470 2.487 5.153 . 0 0 "[ . 1 .]" 1
121 1 17 GLU H 1 18 ASN H . . 3.400 2.383 1.852 2.880 . 0 0 "[ . 1 .]" 1
122 1 17 GLU H 2 18 VAL MG1 . . 7.000 4.379 3.151 5.435 . 0 0 "[ . 1 .]" 1
123 1 17 GLU H 2 18 VAL MG2 . . 7.000 3.894 2.887 5.121 . 0 0 "[ . 1 .]" 1
124 1 17 GLU HA 1 18 ASN H . . 4.300 3.438 3.389 3.491 . 0 0 "[ . 1 .]" 1
125 1 17 GLU HA 1 19 TYR H . . 4.300 3.794 3.303 4.259 . 0 0 "[ . 1 .]" 1
126 1 17 GLU HA 2 18 VAL MG1 . . 5.400 3.063 2.107 4.262 . 0 0 "[ . 1 .]" 1
127 1 17 GLU HA 2 18 VAL MG2 . . 5.400 2.806 1.820 4.152 . 0 0 "[ . 1 .]" 1
128 1 17 GLU HB2 1 18 ASN H . . 3.400 3.084 2.363 3.483 0.083 7 0 "[ . 1 .]" 1
129 1 17 GLU HB3 1 18 ASN H . . 3.400 2.613 1.935 3.514 0.114 15 0 "[ . 1 .]" 1
130 1 17 GLU QG 1 19 TYR H . . 6.000 5.100 4.470 5.399 . 0 0 "[ . 1 .]" 1
131 1 18 ASN H 1 19 TYR H . . 3.400 3.215 2.864 3.470 0.070 1 0 "[ . 1 .]" 1
132 1 18 ASN HA 1 19 TYR H . . 4.300 2.936 2.368 3.516 . 0 0 "[ . 1 .]" 1
133 1 18 ASN HB2 1 19 TYR H . . 5.100 4.150 3.183 4.470 . 0 0 "[ . 1 .]" 1
134 1 18 ASN HB3 1 19 TYR H . . 5.100 4.291 3.191 4.672 . 0 0 "[ . 1 .]" 1
135 1 19 TYR H 1 20 CYS H . . 3.400 2.384 1.565 3.388 . 0 0 "[ . 1 .]" 1
136 1 19 TYR HA 1 20 CYS H . . 4.300 3.414 2.369 3.682 . 0 0 "[ . 1 .]" 1
137 1 19 TYR HB2 1 20 CYS H . . 5.100 2.981 2.369 4.409 . 0 0 "[ . 1 .]" 1
138 1 19 TYR HB2 2 15 LEU MD1 . . 4.300 2.614 2.012 3.897 . 0 0 "[ . 1 .]" 1
139 1 19 TYR HB3 1 20 CYS H . . 5.100 3.500 2.364 4.481 . 0 0 "[ . 1 .]" 1
140 1 19 TYR HB3 2 15 LEU MD2 . . 4.300 3.339 2.010 3.895 . 0 0 "[ . 1 .]" 1
141 1 19 TYR HD2 2 15 LEU MD1 . . 7.000 3.094 2.186 4.216 . 0 0 "[ . 1 .]" 1
142 1 19 TYR HD2 2 15 LEU MD2 . . 6.100 3.030 2.370 4.024 . 0 0 "[ . 1 .]" 1
143 1 20 CYS H 1 21 ASN H . . 4.300 3.907 2.440 4.417 0.117 11 0 "[ . 1 .]" 1
144 1 20 CYS H 2 19 CYS HB2 . . 4.300 4.342 4.226 4.458 0.158 13 0 "[ . 1 .]" 1
145 1 20 CYS H 2 19 CYS HB3 . . 4.300 4.206 3.693 4.478 0.178 12 0 "[ . 1 .]" 1
146 1 20 CYS HB2 2 22 ARG HG2 . . 7.700 5.206 2.747 7.032 . 0 0 "[ . 1 .]" 1
147 1 20 CYS HB2 2 22 ARG HG3 . . 7.700 5.392 2.183 7.621 . 0 0 "[ . 1 .]" 1
148 1 20 CYS HB3 2 22 ARG HG2 . . 7.700 5.391 2.605 7.403 . 0 0 "[ . 1 .]" 1
149 1 20 CYS HB3 2 22 ARG HG3 . . 7.700 5.560 3.509 7.719 0.019 4 0 "[ . 1 .]" 1
150 1 21 ASN H 2 22 ARG HB2 . . 5.100 4.765 2.706 5.196 0.096 11 0 "[ . 1 .]" 1
151 1 21 ASN H 2 22 ARG HB3 . . 5.100 4.514 3.712 5.163 0.063 3 0 "[ . 1 .]" 1
152 2 1 PHE HA 2 2 VAL H . . 3.400 2.457 2.030 3.485 0.085 3 0 "[ . 1 .]" 1
153 2 1 PHE HB2 2 2 VAL H . . 4.400 3.314 1.895 4.336 . 0 0 "[ . 1 .]" 1
154 2 1 PHE HB3 2 2 VAL H . . 4.400 3.781 3.100 4.444 0.044 8 0 "[ . 1 .]" 1
155 2 2 VAL H 2 3 ASN H . . 4.300 4.173 1.755 4.383 0.083 7 0 "[ . 1 .]" 1
156 2 2 VAL HA 2 3 ASN H . . 2.700 2.480 2.209 2.916 0.216 9 0 "[ . 1 .]" 1
157 2 2 VAL HB 2 3 ASN H . . 3.400 2.745 1.905 3.533 0.133 5 0 "[ . 1 .]" 1
158 2 2 VAL MG1 2 3 ASN H . . 5.100 3.087 1.727 4.084 . 0 0 "[ . 1 .]" 1
159 2 2 VAL MG2 2 3 ASN H . . 5.100 3.350 1.944 4.093 . 0 0 "[ . 1 .]" 1
160 2 3 ASN HA 2 4 GLN H . . 2.700 2.492 2.186 2.750 0.050 7 0 "[ . 1 .]" 1
161 2 3 ASN HB2 2 4 GLN H . . 6.000 4.130 2.750 4.600 . 0 0 "[ . 1 .]" 1
162 2 3 ASN HB3 2 4 GLN H . . 6.000 3.647 1.709 4.664 . 0 0 "[ . 1 .]" 1
163 2 4 GLN H 2 5 HIS H . . 4.300 4.342 4.310 4.375 0.075 10 0 "[ . 1 .]" 1
164 2 4 GLN HA 2 5 HIS H . . 3.400 2.469 2.029 2.745 . 0 0 "[ . 1 .]" 1
165 2 4 GLN HB2 2 5 HIS H . . 4.300 3.825 3.654 4.240 . 0 0 "[ . 1 .]" 1
166 2 4 GLN HB3 2 5 HIS H . . 4.300 3.457 3.086 4.325 0.025 2 0 "[ . 1 .]" 1
167 2 5 HIS HA 2 6 LEU H . . 3.400 2.250 2.034 2.504 . 0 0 "[ . 1 .]" 1
168 2 5 HIS HB3 2 6 LEU H . . 4.300 2.860 2.165 4.018 . 0 0 "[ . 1 .]" 1
169 2 6 LEU H 2 7 CYS H . . 4.300 3.467 1.965 4.081 . 0 0 "[ . 1 .]" 1
170 2 6 LEU HA 2 7 CYS H . . 2.700 2.741 2.316 3.084 0.384 9 0 "[ . 1 .]" 1
171 2 6 LEU HB2 2 11 LEU HA . . 3.400 3.353 3.196 3.437 0.037 9 0 "[ . 1 .]" 1
172 2 6 LEU HB3 2 7 CYS H . . 4.300 2.824 1.660 4.288 . 0 0 "[ . 1 .]" 1
173 2 6 LEU MD1 2 7 CYS H . . 7.000 4.541 3.755 5.636 . 0 0 "[ . 1 .]" 1
174 2 6 LEU MD1 2 11 LEU HA . . 4.300 2.206 2.028 2.426 . 0 0 "[ . 1 .]" 1
175 2 6 LEU MD1 2 11 LEU HB2 . . 5.400 4.635 4.442 4.746 . 0 0 "[ . 1 .]" 1
176 2 6 LEU MD1 2 14 ALA MB . . 2.700 1.839 1.758 1.889 . 0 0 "[ . 1 .]" 1
177 2 6 LEU MD2 2 7 CYS H . . 7.000 3.985 3.434 4.883 . 0 0 "[ . 1 .]" 1
178 2 6 LEU MD2 2 10 HIS HB2 . . 4.400 2.745 2.411 2.920 . 0 0 "[ . 1 .]" 1
179 2 6 LEU MD2 2 11 LEU HA . . 4.300 2.490 2.321 2.790 . 0 0 "[ . 1 .]" 1
180 2 6 LEU MD2 2 11 LEU HB2 . . 5.400 4.669 4.579 4.726 . 0 0 "[ . 1 .]" 1
181 2 6 LEU MD2 2 14 ALA MB . . 2.700 1.869 1.816 1.904 . 0 0 "[ . 1 .]" 1
182 2 7 CYS H 2 10 HIS HB2 . . 4.300 3.226 2.189 4.379 0.079 7 0 "[ . 1 .]" 1
183 2 7 CYS HB2 2 8 GLY H . . 6.000 3.627 2.442 4.451 . 0 0 "[ . 1 .]" 1
184 2 7 CYS HB3 2 8 GLY H . . 6.000 2.880 2.079 4.283 . 0 0 "[ . 1 .]" 1
185 2 8 GLY H 2 9 SER H . . 4.300 3.907 2.526 4.270 . 0 0 "[ . 1 .]" 1
186 2 8 GLY HA2 2 9 SER H . . 4.300 2.702 1.930 3.563 . 0 0 "[ . 1 .]" 1
187 2 8 GLY HA2 2 10 HIS H . . 4.300 4.067 3.486 4.378 0.078 6 0 "[ . 1 .]" 1
188 2 8 GLY HA2 2 12 VAL H . . 4.300 4.282 3.905 4.374 0.074 11 0 "[ . 1 .]" 1
189 2 8 GLY HA3 2 9 SER H . . 4.300 2.805 2.182 3.282 . 0 0 "[ . 1 .]" 1
190 2 8 GLY HA3 2 10 HIS H . . 4.300 4.239 3.894 4.438 0.138 5 0 "[ . 1 .]" 1
191 2 9 SER H 2 10 HIS H . . 3.400 2.847 2.259 3.319 . 0 0 "[ . 1 .]" 1
192 2 9 SER H 2 12 VAL MG1 . . 7.000 5.074 4.479 6.047 . 0 0 "[ . 1 .]" 1
193 2 9 SER H 2 12 VAL MG2 . . 7.000 3.357 1.821 5.069 . 0 0 "[ . 1 .]" 1
194 2 9 SER HA 2 10 HIS H . . 3.400 3.362 3.092 3.468 0.068 3 0 "[ . 1 .]" 1
195 2 9 SER HA 2 12 VAL H . . 3.400 3.489 3.407 3.544 0.144 2 0 "[ . 1 .]" 1
196 2 9 SER HA 2 12 VAL HB . . 4.300 2.967 2.301 4.417 0.117 12 0 "[ . 1 .]" 1
197 2 9 SER HA 2 12 VAL MG1 . . 5.400 3.654 3.075 4.000 . 0 0 "[ . 1 .]" 1
198 2 9 SER HA 2 12 VAL MG2 . . 5.400 2.652 1.781 3.528 . 0 0 "[ . 1 .]" 1
199 2 9 SER HB2 2 10 HIS H . . 6.000 3.794 2.825 4.479 . 0 0 "[ . 1 .]" 1
200 2 9 SER HB3 2 10 HIS H . . 6.000 3.634 2.180 4.427 . 0 0 "[ . 1 .]" 1
201 2 10 HIS H 2 11 LEU H . . 3.400 2.122 1.705 2.546 . 0 0 "[ . 1 .]" 1
202 2 10 HIS H 2 12 VAL MG1 . . 7.000 5.689 4.521 6.228 . 0 0 "[ . 1 .]" 1
203 2 10 HIS H 2 12 VAL MG2 . . 7.000 4.289 3.162 5.251 . 0 0 "[ . 1 .]" 1
204 2 10 HIS HA 2 11 LEU H . . 4.300 3.495 3.447 3.552 . 0 0 "[ . 1 .]" 1
205 2 10 HIS HA 2 13 GLU H . . 4.300 3.342 2.927 3.702 . 0 0 "[ . 1 .]" 1
206 2 10 HIS HA 2 13 GLU HB2 . . 4.400 2.984 2.060 4.144 . 0 0 "[ . 1 .]" 1
207 2 10 HIS HA 2 13 GLU HB3 . . 4.400 3.020 1.986 4.412 0.012 5 0 "[ . 1 .]" 1
208 2 10 HIS HB2 2 11 LEU H . . 4.300 2.520 2.295 2.680 . 0 0 "[ . 1 .]" 1
209 2 10 HIS HB3 2 13 GLU H . . 4.300 4.493 4.428 4.546 0.246 11 0 "[ . 1 .]" 1
210 2 11 LEU H 2 12 VAL H . . 4.300 2.641 2.404 2.911 . 0 0 "[ . 1 .]" 1
211 2 11 LEU HA 2 12 VAL H . . 4.300 3.395 3.340 3.503 . 0 0 "[ . 1 .]" 1
212 2 11 LEU HA 2 14 ALA MB . . 4.400 2.656 2.447 3.080 . 0 0 "[ . 1 .]" 1
213 2 11 LEU HB2 2 12 VAL H . . 4.300 2.429 2.307 2.592 . 0 0 "[ . 1 .]" 1
214 2 11 LEU HB3 2 12 VAL HA . . 4.300 3.730 3.635 3.793 . 0 0 "[ . 1 .]" 1
215 2 11 LEU MD1 2 12 VAL HA . . 6.000 5.329 5.115 5.409 . 0 0 "[ . 1 .]" 1
216 2 11 LEU MD2 2 12 VAL HA . . 6.000 4.879 4.608 5.186 . 0 0 "[ . 1 .]" 1
217 2 11 LEU MD2 2 14 ALA H . . 5.300 4.558 4.481 4.623 . 0 0 "[ . 1 .]" 1
218 2 11 LEU HG 2 12 VAL H . . 4.300 4.399 4.356 4.446 0.146 7 0 "[ . 1 .]" 1
219 2 12 VAL H 2 13 GLU H . . 3.400 2.941 2.673 3.397 . 0 0 "[ . 1 .]" 1
220 2 12 VAL H 2 15 LEU H . . 4.300 4.450 4.378 4.519 0.219 12 0 "[ . 1 .]" 1
221 2 12 VAL HA 2 13 GLU H . . 4.300 3.427 3.243 3.556 . 0 0 "[ . 1 .]" 1
222 2 12 VAL HA 2 15 LEU H . . 3.400 3.202 2.956 3.430 0.030 1 0 "[ . 1 .]" 1
223 2 12 VAL HA 2 15 LEU HB2 . . 4.300 3.294 1.857 3.713 . 0 0 "[ . 1 .]" 1
224 2 12 VAL HA 2 15 LEU HB3 . . 4.300 1.964 1.823 2.212 . 0 0 "[ . 1 .]" 1
225 2 12 VAL HA 2 15 LEU MD1 . . 5.400 4.471 2.558 4.767 . 0 0 "[ . 1 .]" 1
226 2 12 VAL HA 2 15 LEU MD2 . . 5.400 2.820 2.162 4.274 . 0 0 "[ . 1 .]" 1
227 2 12 VAL HA 2 15 LEU HG . . 3.400 3.450 3.277 3.535 0.135 14 0 "[ . 1 .]" 1
228 2 12 VAL HB 2 13 GLU H . . 4.300 3.782 3.425 4.364 0.064 2 0 "[ . 1 .]" 1
229 2 12 VAL MG1 2 13 GLU H . . 5.400 4.183 3.633 4.499 . 0 0 "[ . 1 .]" 1
230 2 12 VAL MG1 2 16 TYR HB2 . . 7.000 3.951 2.896 5.517 . 0 0 "[ . 1 .]" 1
231 2 12 VAL MG1 2 16 TYR HB3 . . 7.000 4.705 3.815 6.249 . 0 0 "[ . 1 .]" 1
232 2 12 VAL MG2 2 13 GLU H . . 5.400 3.927 2.862 4.480 . 0 0 "[ . 1 .]" 1
233 2 12 VAL MG2 2 16 TYR HB2 . . 7.000 5.459 4.771 6.191 . 0 0 "[ . 1 .]" 1
234 2 12 VAL MG2 2 16 TYR HB3 . . 7.000 5.926 4.843 6.430 . 0 0 "[ . 1 .]" 1
235 2 13 GLU H 2 14 ALA H . . 3.400 1.710 1.624 1.839 . 0 0 "[ . 1 .]" 1
236 2 13 GLU H 2 14 ALA HA . . 4.300 4.458 4.414 4.512 0.212 8 0 "[ . 1 .]" 1
237 2 13 GLU HA 2 14 ALA H . . 3.400 3.415 3.293 3.461 0.061 9 0 "[ . 1 .]" 1
238 2 13 GLU HA 2 16 TYR H . . 3.400 3.346 3.031 3.477 0.077 12 0 "[ . 1 .]" 1
239 2 13 GLU HA 2 16 TYR HB2 . . 4.400 3.558 3.119 4.149 . 0 0 "[ . 1 .]" 1
240 2 13 GLU HA 2 16 TYR HB3 . . 4.400 2.459 1.968 3.480 . 0 0 "[ . 1 .]" 1
241 2 13 GLU HA 2 17 LEU H . . 4.300 3.968 3.540 4.339 0.039 10 0 "[ . 1 .]" 1
242 2 13 GLU HB2 2 14 ALA H . . 5.100 3.625 2.559 4.186 . 0 0 "[ . 1 .]" 1
243 2 13 GLU HB3 2 14 ALA H . . 5.100 3.148 2.434 3.964 . 0 0 "[ . 1 .]" 1
244 2 14 ALA H 2 15 LEU H . . 3.400 2.061 1.761 2.376 . 0 0 "[ . 1 .]" 1
245 2 14 ALA H 2 15 LEU HB2 . . 4.300 4.249 3.406 4.352 0.052 15 0 "[ . 1 .]" 1
246 2 14 ALA H 2 15 LEU HB3 . . 4.300 3.966 3.492 4.401 0.101 14 0 "[ . 1 .]" 1
247 2 14 ALA H 2 16 TYR H . . 4.300 3.533 3.217 3.837 . 0 0 "[ . 1 .]" 1
248 2 14 ALA HA 2 15 LEU H . . 3.400 3.308 3.249 3.386 . 0 0 "[ . 1 .]" 1
249 2 14 ALA HA 2 16 TYR H . . 4.300 4.041 3.647 4.375 0.075 14 0 "[ . 1 .]" 1
250 2 14 ALA HA 2 17 LEU H . . 4.300 3.465 3.232 3.775 . 0 0 "[ . 1 .]" 1
251 2 14 ALA HA 2 17 LEU HB3 . . 2.700 2.748 2.583 2.840 0.140 7 0 "[ . 1 .]" 1
252 2 14 ALA MB 2 15 LEU H . . 4.400 2.974 2.756 3.178 . 0 0 "[ . 1 .]" 1
253 2 15 LEU H 2 16 TYR H . . 3.400 2.034 1.903 2.264 . 0 0 "[ . 1 .]" 1
254 2 15 LEU HA 2 16 TYR H . . 3.400 3.403 3.242 3.479 0.079 3 0 "[ . 1 .]" 1
255 2 15 LEU HA 2 18 VAL H . . 3.400 3.249 2.857 3.457 0.057 12 0 "[ . 1 .]" 1
256 2 15 LEU HA 2 18 VAL HB . . 3.400 3.237 2.123 3.472 0.072 8 0 "[ . 1 .]" 1
257 2 15 LEU HB2 2 16 TYR H . . 5.100 3.937 2.841 4.256 . 0 0 "[ . 1 .]" 1
258 2 15 LEU HB3 2 16 TYR H . . 5.100 2.841 2.168 3.426 . 0 0 "[ . 1 .]" 1
259 2 15 LEU MD1 2 16 TYR H . . 7.000 4.383 4.172 4.543 . 0 0 "[ . 1 .]" 1
260 2 15 LEU MD2 2 16 TYR H . . 7.000 4.672 4.009 5.121 . 0 0 "[ . 1 .]" 1
261 2 15 LEU HG 2 16 TYR H . . 4.300 3.988 3.210 4.432 0.132 14 0 "[ . 1 .]" 1
262 2 16 TYR H 2 17 LEU H . . 3.400 2.253 1.856 2.617 . 0 0 "[ . 1 .]" 1
263 2 16 TYR HA 2 17 LEU H . . 4.300 3.438 3.356 3.545 . 0 0 "[ . 1 .]" 1
264 2 16 TYR HB2 2 17 LEU H . . 5.100 3.899 3.594 4.140 . 0 0 "[ . 1 .]" 1
265 2 16 TYR HB3 2 17 LEU H . . 5.100 2.626 2.288 2.957 . 0 0 "[ . 1 .]" 1
266 2 16 TYR QD 2 17 LEU H . . 3.400 3.056 2.595 3.397 . 0 0 "[ . 1 .]" 1
267 2 16 TYR QD 2 17 LEU HA . . 3.400 3.111 2.754 3.405 0.005 10 0 "[ . 1 .]" 1
268 2 16 TYR QD 2 17 LEU MD1 . . 5.300 3.901 3.248 4.853 . 0 0 "[ . 1 .]" 1
269 2 16 TYR QD 2 17 LEU MD2 . . 5.300 4.489 2.755 5.046 . 0 0 "[ . 1 .]" 1
270 2 17 LEU H 2 18 VAL H . . 3.400 2.552 2.012 2.757 . 0 0 "[ . 1 .]" 1
271 2 17 LEU H 2 18 VAL MG1 . . 5.300 4.544 3.944 5.068 . 0 0 "[ . 1 .]" 1
272 2 17 LEU HA 2 18 VAL H . . 4.300 3.446 3.349 3.518 . 0 0 "[ . 1 .]" 1
273 2 17 LEU HB2 2 18 VAL H . . 4.300 3.884 3.481 4.206 . 0 0 "[ . 1 .]" 1
274 2 17 LEU HB3 2 18 VAL H . . 4.300 2.964 2.571 3.283 . 0 0 "[ . 1 .]" 1
275 2 17 LEU HB3 2 18 VAL HA . . 4.300 4.360 4.309 4.408 0.108 1 0 "[ . 1 .]" 1
276 2 17 LEU MD1 2 18 VAL H . . 7.000 4.656 4.340 5.091 . 0 0 "[ . 1 .]" 1
277 2 17 LEU MD2 2 18 VAL H . . 7.000 4.619 4.057 5.134 . 0 0 "[ . 1 .]" 1
278 2 18 VAL H 2 19 CYS H . . 3.400 2.285 2.037 2.611 . 0 0 "[ . 1 .]" 1
279 2 18 VAL HA 2 19 CYS H . . 3.400 3.461 3.400 3.561 0.161 7 0 "[ . 1 .]" 1
280 2 18 VAL HB 2 19 CYS H . . 3.400 3.401 2.647 3.510 0.110 2 0 "[ . 1 .]" 1
281 2 18 VAL MG1 2 19 CYS H . . 5.400 2.053 1.759 2.750 . 0 0 "[ . 1 .]" 1
282 2 18 VAL MG1 2 19 CYS HA . . 5.300 3.575 3.396 3.881 . 0 0 "[ . 1 .]" 1
283 2 18 VAL MG2 2 19 CYS H . . 5.400 3.931 3.661 4.166 . 0 0 "[ . 1 .]" 1
284 2 19 CYS H 2 20 GLY H . . 4.300 2.766 2.175 3.417 . 0 0 "[ . 1 .]" 1
285 2 19 CYS H 2 20 GLY HA2 . . 4.300 4.332 4.070 4.425 0.125 3 0 "[ . 1 .]" 1
286 2 19 CYS H 2 20 GLY HA3 . . 4.300 4.371 4.308 4.431 0.131 7 0 "[ . 1 .]" 1
287 2 19 CYS HA 2 20 GLY H . . 4.300 2.733 2.083 3.519 . 0 0 "[ . 1 .]" 1
288 2 19 CYS HA 2 22 ARG HB2 . . 6.000 3.759 2.030 6.051 0.051 12 0 "[ . 1 .]" 1
289 2 19 CYS HA 2 22 ARG HB3 . . 6.000 4.078 2.676 5.767 . 0 0 "[ . 1 .]" 1
290 2 19 CYS HB2 2 20 GLY H . . 4.300 3.938 2.166 4.350 0.050 8 0 "[ . 1 .]" 1
291 2 19 CYS HB3 2 20 GLY H . . 4.300 4.057 2.455 4.350 0.050 6 0 "[ . 1 .]" 1
292 2 20 GLY H 2 21 GLU H . . 4.300 3.085 1.717 4.395 0.095 11 0 "[ . 1 .]" 1
293 2 20 GLY HA2 2 21 GLU H . . 3.400 3.035 1.980 3.492 0.092 9 0 "[ . 1 .]" 1
294 2 20 GLY HA2 2 22 ARG H . . 4.300 3.882 3.306 4.356 0.056 7 0 "[ . 1 .]" 1
295 2 20 GLY HA3 2 21 GLU H . . 3.400 2.736 1.962 3.421 0.021 5 0 "[ . 1 .]" 1
296 2 20 GLY HA3 2 22 ARG H . . 4.300 4.150 3.373 4.434 0.134 5 0 "[ . 1 .]" 1
297 2 21 GLU H 2 22 ARG H . . 3.400 2.347 1.725 2.824 . 0 0 "[ . 1 .]" 1
298 2 21 GLU HA 2 22 ARG H . . 3.400 3.048 2.701 3.432 0.032 13 0 "[ . 1 .]" 1
299 2 21 GLU HA 2 23 GLY H . . 4.300 4.189 3.769 4.420 0.120 11 0 "[ . 1 .]" 1
300 2 21 GLU HB2 2 22 ARG H . . 5.100 3.989 2.824 4.455 . 0 0 "[ . 1 .]" 1
301 2 21 GLU HB3 2 22 ARG H . . 5.100 4.035 2.921 4.558 . 0 0 "[ . 1 .]" 1
302 2 22 ARG H 2 23 GLY H . . 3.400 2.147 1.554 3.153 . 0 0 "[ . 1 .]" 1
303 2 22 ARG HA 2 23 GLY H . . 3.400 3.260 2.491 3.433 0.033 14 0 "[ . 1 .]" 1
304 2 22 ARG HB2 2 23 GLY H . . 5.100 3.318 2.100 4.355 . 0 0 "[ . 1 .]" 1
305 2 22 ARG HB3 2 23 GLY H . . 5.100 3.235 2.159 4.531 . 0 0 "[ . 1 .]" 1
306 2 22 ARG HD2 2 23 GLY H . . 6.000 5.148 3.921 5.990 . 0 0 "[ . 1 .]" 1
307 2 22 ARG HD3 2 23 GLY H . . 6.000 5.098 3.307 5.941 . 0 0 "[ . 1 .]" 1
308 2 23 GLY HA2 2 24 PHE H . . 2.700 2.318 2.076 2.642 . 0 0 "[ . 1 .]" 1
309 2 23 GLY HA3 2 24 PHE H . . 2.700 2.661 2.251 2.810 0.110 12 0 "[ . 1 .]" 1
310 2 24 PHE H 2 25 PHE H . . 4.300 3.880 1.818 4.391 0.091 8 0 "[ . 1 .]" 1
311 2 24 PHE HB2 2 25 PHE H . . 3.400 2.556 1.893 3.387 . 0 0 "[ . 1 .]" 1
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