NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
403579 |
1wo4   |
6328 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wo4
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 283
_Distance_constraint_stats_list.Viol_count 717
_Distance_constraint_stats_list.Viol_total 571.551
_Distance_constraint_stats_list.Viol_max 0.194
_Distance_constraint_stats_list.Viol_rms 0.0200
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0050
_Distance_constraint_stats_list.Viol_average_violations_only 0.0399
_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 2.702 0.143 16 0 "[ . 1 . 2]"
1 2 VAL 3.875 0.143 16 0 "[ . 1 . 2]"
1 3 SER 0.334 0.024 15 0 "[ . 1 . 2]"
1 4 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 CYS 1.688 0.067 16 0 "[ . 1 . 2]"
1 6 ALA 0.003 0.003 10 0 "[ . 1 . 2]"
1 7 LEU 3.817 0.138 6 0 "[ . 1 . 2]"
1 8 SER 1.061 0.078 16 0 "[ . 1 . 2]"
1 10 CYS 0.524 0.038 2 0 "[ . 1 . 2]"
1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ALA 0.736 0.035 16 0 "[ . 1 . 2]"
1 15 ASN 0.711 0.023 18 0 "[ . 1 . 2]"
1 16 VAL 1.710 0.043 8 0 "[ . 1 . 2]"
1 17 ALA 2.022 0.090 16 0 "[ . 1 . 2]"
1 18 ALA 0.847 0.043 8 0 "[ . 1 . 2]"
1 19 HIS 6.464 0.181 1 0 "[ . 1 . 2]"
1 20 MET 7.488 0.102 7 0 "[ . 1 . 2]"
1 21 THR 1.741 0.194 7 0 "[ . 1 . 2]"
1 22 HIS 5.986 0.087 9 0 "[ . 1 . 2]"
1 23 CYS 9.212 0.181 1 0 "[ . 1 . 2]"
1 24 ALA 0.067 0.007 19 0 "[ . 1 . 2]"
1 25 LYS 0.025 0.006 5 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ALA HA 1 2 VAL H 0.000 . 2.830 2.097 2.091 2.103 . 0 0 "[ . 1 . 2]" 1
2 1 1 ALA HA 1 2 VAL HB 0.000 . 4.140 4.275 4.269 4.283 0.143 16 0 "[ . 1 . 2]" 1
3 1 1 ALA HA 1 2 VAL MG1 0.000 . 6.530 4.040 3.971 4.109 . 0 0 "[ . 1 . 2]" 1
4 1 1 ALA HA 1 19 HIS HD2 0.000 . 4.380 2.730 2.629 2.820 . 0 0 "[ . 1 . 2]" 1
5 1 1 ALA MB 1 3 SER H 0.000 . 4.860 2.496 2.387 2.731 . 0 0 "[ . 1 . 2]" 1
6 1 1 ALA MB 1 19 HIS HD2 0.000 . 7.030 4.249 4.166 4.329 . 0 0 "[ . 1 . 2]" 1
7 1 2 VAL H 1 2 VAL HB 0.000 . 2.860 2.273 2.264 2.283 . 0 0 "[ . 1 . 2]" 1
8 1 2 VAL H 1 2 VAL MG1 0.000 . 4.260 2.437 2.387 2.508 . 0 0 "[ . 1 . 2]" 1
9 1 2 VAL H 1 3 SER H 0.000 . 3.670 2.735 2.696 2.776 . 0 0 "[ . 1 . 2]" 1
10 1 2 VAL H 1 16 VAL HA 0.000 . 5.500 3.108 2.943 3.295 . 0 0 "[ . 1 . 2]" 1
11 1 2 VAL H 1 16 VAL MG2 0.000 . 6.530 2.683 2.489 2.943 . 0 0 "[ . 1 . 2]" 1
12 1 2 VAL H 1 19 HIS HB2 0.000 . 6.000 4.832 4.682 4.948 . 0 0 "[ . 1 . 2]" 1
13 1 2 VAL H 1 19 HIS HB3 0.000 . 6.000 3.860 3.696 3.995 . 0 0 "[ . 1 . 2]" 1
14 1 2 VAL H 1 19 HIS HD2 0.000 . 3.950 2.580 2.507 2.673 . 0 0 "[ . 1 . 2]" 1
15 1 2 VAL HA 1 2 VAL HB 0.000 . 2.710 2.541 2.528 2.552 . 0 0 "[ . 1 . 2]" 1
16 1 2 VAL HA 1 5 CYS H 0.000 . 3.330 3.307 3.253 3.337 0.007 8 0 "[ . 1 . 2]" 1
17 1 2 VAL HA 1 5 CYS HA 0.000 . 4.200 4.057 3.882 4.217 0.017 7 0 "[ . 1 . 2]" 1
18 1 2 VAL HA 1 5 CYS HB2 0.000 . 3.710 2.112 2.079 2.173 . 0 0 "[ . 1 . 2]" 1
19 1 2 VAL HA 1 5 CYS QB 0.000 . 3.450 2.093 2.055 2.156 . 0 0 "[ . 1 . 2]" 1
20 1 2 VAL HA 1 5 CYS HB3 0.000 . 3.710 3.427 3.221 3.605 . 0 0 "[ . 1 . 2]" 1
21 1 2 VAL HA 1 19 HIS HB2 0.000 . 5.320 3.820 3.719 3.915 . 0 0 "[ . 1 . 2]" 1
22 1 2 VAL HA 1 19 HIS HB3 0.000 . 5.350 3.970 3.893 4.067 . 0 0 "[ . 1 . 2]" 1
23 1 2 VAL HA 1 19 HIS HE1 0.000 . 4.380 3.455 3.394 3.488 . 0 0 "[ . 1 . 2]" 1
24 1 2 VAL HB 1 3 SER H 0.000 . 4.110 3.971 3.943 3.991 . 0 0 "[ . 1 . 2]" 1
25 1 2 VAL HB 1 16 VAL HA 0.000 . 3.790 2.059 1.982 2.114 . 0 0 "[ . 1 . 2]" 1
26 1 2 VAL HB 1 16 VAL MG1 0.000 . 6.340 2.846 2.650 2.953 . 0 0 "[ . 1 . 2]" 1
27 1 2 VAL HB 1 16 VAL MG2 0.000 . 5.380 2.723 2.544 2.845 . 0 0 "[ . 1 . 2]" 1
28 1 2 VAL HB 1 19 HIS H 0.000 . 5.070 4.611 4.445 4.718 . 0 0 "[ . 1 . 2]" 1
29 1 2 VAL HB 1 19 HIS HA 0.000 . 5.500 5.421 5.259 5.510 0.010 8 0 "[ . 1 . 2]" 1
30 1 2 VAL HB 1 19 HIS HB3 0.000 . 4.020 2.772 2.627 2.862 . 0 0 "[ . 1 . 2]" 1
31 1 2 VAL HB 1 19 HIS HD2 0.000 . 3.390 3.375 3.298 3.400 0.010 2 0 "[ . 1 . 2]" 1
32 1 2 VAL HB 1 19 HIS HE1 0.000 . 5.500 5.523 5.504 5.537 0.037 16 0 "[ . 1 . 2]" 1
33 1 2 VAL HB 1 20 MET H 0.000 . 5.500 4.865 4.754 4.945 . 0 0 "[ . 1 . 2]" 1
34 1 2 VAL MG1 1 3 SER H 0.000 . 3.990 2.288 2.177 2.461 . 0 0 "[ . 1 . 2]" 1
35 1 2 VAL MG1 1 3 SER HB2 0.000 . 7.030 3.563 3.128 4.332 . 0 0 "[ . 1 . 2]" 1
36 1 2 VAL MG1 1 3 SER QB 0.000 . 6.870 3.432 3.057 3.874 . 0 0 "[ . 1 . 2]" 1
37 1 2 VAL MG1 1 3 SER HB3 0.000 . 7.030 4.559 4.296 4.704 . 0 0 "[ . 1 . 2]" 1
38 1 2 VAL MG1 1 14 ALA H 0.000 . 5.690 4.807 4.490 5.053 . 0 0 "[ . 1 . 2]" 1
39 1 2 VAL MG1 1 14 ALA HA 0.000 . 4.360 3.119 2.852 3.515 . 0 0 "[ . 1 . 2]" 1
40 1 2 VAL MG1 1 15 ASN H 0.000 . 6.470 4.533 4.293 4.708 . 0 0 "[ . 1 . 2]" 1
41 1 2 VAL MG1 1 15 ASN HA 0.000 . 6.530 5.195 4.966 5.353 . 0 0 "[ . 1 . 2]" 1
42 1 2 VAL MG1 1 16 VAL H 0.000 . 6.530 3.649 3.420 3.867 . 0 0 "[ . 1 . 2]" 1
43 1 2 VAL MG1 1 16 VAL HA 0.000 . 5.190 3.017 2.818 3.189 . 0 0 "[ . 1 . 2]" 1
44 1 2 VAL MG1 1 16 VAL HB 0.000 . 6.530 4.132 4.017 4.239 . 0 0 "[ . 1 . 2]" 1
45 1 2 VAL MG1 1 16 VAL MG2 0.000 . 6.160 1.759 1.684 1.850 . 0 0 "[ . 1 . 2]" 1
46 1 2 VAL MG1 1 19 HIS H 0.000 . 6.530 5.614 5.427 5.750 . 0 0 "[ . 1 . 2]" 1
47 1 2 VAL MG1 1 19 HIS HB2 0.000 . 7.030 4.727 4.593 4.827 . 0 0 "[ . 1 . 2]" 1
48 1 2 VAL MG1 1 19 HIS HB3 0.000 . 7.030 4.302 4.163 4.397 . 0 0 "[ . 1 . 2]" 1
49 1 2 VAL MG1 1 19 HIS HD2 0.000 . 5.750 4.449 4.400 4.498 . 0 0 "[ . 1 . 2]" 1
50 1 2 VAL MG2 1 3 SER H 0.000 . 6.030 4.053 4.020 4.083 . 0 0 "[ . 1 . 2]" 1
51 1 2 VAL MG2 1 5 CYS H 0.000 . 6.530 4.276 4.249 4.306 . 0 0 "[ . 1 . 2]" 1
52 1 2 VAL MG2 1 5 CYS HB2 0.000 . 6.930 3.239 3.126 3.354 . 0 0 "[ . 1 . 2]" 1
53 1 2 VAL MG2 1 5 CYS QB 0.000 . 6.600 3.017 2.967 3.078 . 0 0 "[ . 1 . 2]" 1
54 1 2 VAL MG2 1 5 CYS HB3 0.000 . 6.930 3.622 3.425 3.832 . 0 0 "[ . 1 . 2]" 1
55 1 2 VAL MG2 1 14 ALA H 0.000 . 4.480 4.503 4.486 4.515 0.035 16 0 "[ . 1 . 2]" 1
56 1 2 VAL MG2 1 14 ALA HA 0.000 . 3.800 3.636 3.376 3.817 0.017 15 0 "[ . 1 . 2]" 1
57 1 2 VAL MG2 1 15 ASN H 0.000 . 4.510 4.256 4.182 4.328 . 0 0 "[ . 1 . 2]" 1
58 1 2 VAL MG2 1 15 ASN HA 0.000 . 6.530 5.684 5.633 5.787 . 0 0 "[ . 1 . 2]" 1
59 1 2 VAL MG2 1 16 VAL H 0.000 . 6.530 4.785 4.684 4.838 . 0 0 "[ . 1 . 2]" 1
60 1 2 VAL MG2 1 16 VAL HA 0.000 . 5.290 3.435 3.299 3.517 . 0 0 "[ . 1 . 2]" 1
61 1 2 VAL MG2 1 19 HIS H 0.000 . 5.690 4.770 4.648 4.906 . 0 0 "[ . 1 . 2]" 1
62 1 2 VAL MG2 1 19 HIS HA 0.000 . 6.190 4.650 4.540 4.800 . 0 0 "[ . 1 . 2]" 1
63 1 2 VAL MG2 1 19 HIS HB2 0.000 . 4.580 2.617 2.495 2.773 . 0 0 "[ . 1 . 2]" 1
64 1 2 VAL MG2 1 19 HIS HB3 0.000 . 5.010 3.286 3.141 3.390 . 0 0 "[ . 1 . 2]" 1
65 1 2 VAL MG2 1 19 HIS HD2 0.000 . 5.440 4.330 4.269 4.385 . 0 0 "[ . 1 . 2]" 1
66 1 2 VAL MG2 1 19 HIS HE1 0.000 . 6.430 4.605 4.530 4.642 . 0 0 "[ . 1 . 2]" 1
67 1 3 SER H 1 3 SER HA 0.000 . 2.860 2.848 2.844 2.855 . 0 0 "[ . 1 . 2]" 1
68 1 3 SER H 1 3 SER HB2 0.000 . 3.580 2.246 2.165 2.773 . 0 0 "[ . 1 . 2]" 1
69 1 3 SER H 1 3 SER QB 0.000 . 3.360 2.202 2.144 2.683 . 0 0 "[ . 1 . 2]" 1
70 1 3 SER H 1 3 SER HB3 0.000 . 3.580 3.293 2.801 3.575 . 0 0 "[ . 1 . 2]" 1
71 1 3 SER H 1 4 ALA H 0.000 . 3.080 2.504 2.468 2.543 . 0 0 "[ . 1 . 2]" 1
72 1 3 SER H 1 5 CYS H 0.000 . 3.830 3.847 3.838 3.854 0.024 15 0 "[ . 1 . 2]" 1
73 1 3 SER HB2 1 4 ALA H 0.000 . 5.660 3.178 2.725 3.732 . 0 0 "[ . 1 . 2]" 1
74 1 3 SER HB3 1 4 ALA H 0.000 . 5.660 3.273 2.744 3.981 . 0 0 "[ . 1 . 2]" 1
75 1 4 ALA HA 1 5 CYS H 0.000 . 3.210 3.069 3.032 3.118 . 0 0 "[ . 1 . 2]" 1
76 1 5 CYS H 1 5 CYS HB2 0.000 . 3.210 2.550 2.513 2.578 . 0 0 "[ . 1 . 2]" 1
77 1 5 CYS H 1 5 CYS HB3 0.000 . 3.210 2.498 2.474 2.536 . 0 0 "[ . 1 . 2]" 1
78 1 5 CYS H 1 19 HIS HE1 0.000 . 4.660 4.114 3.998 4.221 . 0 0 "[ . 1 . 2]" 1
79 1 5 CYS HA 1 7 LEU H 0.000 . 3.890 3.932 3.908 3.957 0.067 16 0 "[ . 1 . 2]" 1
80 1 5 CYS HA 1 19 HIS HE1 0.000 . 3.170 2.171 1.929 2.445 . 0 0 "[ . 1 . 2]" 1
81 1 5 CYS QB 1 7 LEU H 0.000 . 4.540 3.997 3.884 4.142 . 0 0 "[ . 1 . 2]" 1
82 1 5 CYS QB 1 19 HIS HD2 0.000 . 6.880 4.671 4.619 4.741 . 0 0 "[ . 1 . 2]" 1
83 1 5 CYS QB 1 19 HIS HE1 0.000 . 3.410 2.297 2.211 2.376 . 0 0 "[ . 1 . 2]" 1
84 1 5 CYS QB 1 22 HIS HD2 0.000 . 6.880 6.485 6.426 6.548 . 0 0 "[ . 1 . 2]" 1
85 1 5 CYS HB2 1 7 LEU H 0.000 . 4.790 4.700 4.640 4.794 0.004 6 0 "[ . 1 . 2]" 1
86 1 5 CYS HB2 1 19 HIS HE1 0.000 . 3.710 2.319 2.228 2.403 . 0 0 "[ . 1 . 2]" 1
87 1 5 CYS HB3 1 7 LEU H 0.000 . 4.790 4.328 4.167 4.530 . 0 0 "[ . 1 . 2]" 1
88 1 5 CYS HB3 1 19 HIS HE1 0.000 . 3.710 3.730 3.722 3.736 0.026 20 0 "[ . 1 . 2]" 1
89 1 6 ALA HA 1 7 LEU H 0.000 . 3.520 3.505 3.485 3.523 0.003 10 0 "[ . 1 . 2]" 1
90 1 7 LEU H 1 7 LEU HB2 0.000 . 3.550 3.653 3.605 3.688 0.138 6 0 "[ . 1 . 2]" 1
91 1 7 LEU H 1 7 LEU HB3 0.000 . 3.550 2.899 2.479 3.162 . 0 0 "[ . 1 . 2]" 1
92 1 7 LEU H 1 7 LEU MD1 0.000 . 5.690 3.628 3.246 4.050 . 0 0 "[ . 1 . 2]" 1
93 1 7 LEU H 1 7 LEU MD2 0.000 . 5.690 2.865 1.944 3.256 . 0 0 "[ . 1 . 2]" 1
94 1 7 LEU H 1 7 LEU HG 0.000 . 3.050 2.119 1.814 2.680 . 0 0 "[ . 1 . 2]" 1
95 1 7 LEU H 1 10 CYS QB 0.000 . 6.100 6.098 5.985 6.138 0.038 2 0 "[ . 1 . 2]" 1
96 1 7 LEU HA 1 7 LEU HG 0.000 . 3.610 3.627 3.614 3.656 0.046 16 0 "[ . 1 . 2]" 1
97 1 7 LEU HA 1 8 SER H 0.000 . 3.050 2.452 2.152 2.627 . 0 0 "[ . 1 . 2]" 1
98 1 7 LEU QB 1 8 SER H 0.000 . 5.580 2.623 1.956 3.691 . 0 0 "[ . 1 . 2]" 1
99 1 7 LEU QB 1 22 HIS HD2 0.000 . 6.880 6.219 5.860 6.721 . 0 0 "[ . 1 . 2]" 1
100 1 7 LEU QD 1 8 SER H 0.000 . 8.100 3.228 1.987 4.326 . 0 0 "[ . 1 . 2]" 1
101 1 7 LEU QD 1 10 CYS QB 0.000 . 7.050 3.705 3.472 3.990 . 0 0 "[ . 1 . 2]" 1
102 1 7 LEU QD 1 22 HIS QB 0.000 . 8.550 4.434 3.984 4.823 . 0 0 "[ . 1 . 2]" 1
103 1 7 LEU QD 1 22 HIS HD2 0.000 . 7.110 3.205 2.968 3.721 . 0 0 "[ . 1 . 2]" 1
104 1 7 LEU QD 1 22 HIS HE1 0.000 . 5.310 4.976 4.781 5.313 0.003 10 0 "[ . 1 . 2]" 1
105 1 7 LEU MD1 1 10 CYS HB2 0.000 . 8.780 4.205 3.774 4.735 . 0 0 "[ . 1 . 2]" 1
106 1 7 LEU MD1 1 10 CYS HB3 0.000 . 8.780 4.497 4.269 4.948 . 0 0 "[ . 1 . 2]" 1
107 1 7 LEU MD1 1 22 HIS HB2 0.000 . 10.170 5.768 4.788 6.518 . 0 0 "[ . 1 . 2]" 1
108 1 7 LEU MD1 1 22 HIS HB3 0.000 . 10.170 6.780 5.947 7.504 . 0 0 "[ . 1 . 2]" 1
109 1 7 LEU MD1 1 22 HIS HE1 0.000 . 6.310 5.374 4.948 5.968 . 0 0 "[ . 1 . 2]" 1
110 1 7 LEU MD2 1 10 CYS HB2 0.000 . 8.780 5.617 4.611 6.237 . 0 0 "[ . 1 . 2]" 1
111 1 7 LEU MD2 1 10 CYS HB3 0.000 . 8.780 5.707 4.670 6.152 . 0 0 "[ . 1 . 2]" 1
112 1 7 LEU MD2 1 22 HIS HB2 0.000 . 10.170 4.910 4.500 5.255 . 0 0 "[ . 1 . 2]" 1
113 1 7 LEU MD2 1 22 HIS HB3 0.000 . 10.170 6.193 5.887 6.534 . 0 0 "[ . 1 . 2]" 1
114 1 7 LEU MD2 1 22 HIS HE1 0.000 . 6.310 6.056 5.276 6.328 0.018 8 0 "[ . 1 . 2]" 1
115 1 7 LEU HG 1 8 SER H 0.000 . 5.500 4.238 3.531 4.658 . 0 0 "[ . 1 . 2]" 1
116 1 7 LEU HG 1 22 HIS HD2 0.000 . 5.500 5.175 4.645 5.512 0.012 19 0 "[ . 1 . 2]" 1
117 1 8 SER H 1 8 SER HA 0.000 . 2.680 2.733 2.719 2.758 0.078 16 0 "[ . 1 . 2]" 1
118 1 8 SER H 1 8 SER HB2 0.000 . 4.140 2.328 2.127 2.912 . 0 0 "[ . 1 . 2]" 1
119 1 8 SER H 1 8 SER QB 0.000 . 3.850 2.260 2.090 2.781 . 0 0 "[ . 1 . 2]" 1
120 1 8 SER H 1 8 SER HB3 0.000 . 4.140 3.203 2.565 3.580 . 0 0 "[ . 1 . 2]" 1
121 1 10 CYS QB 1 22 HIS H 0.000 . 6.260 6.230 5.919 6.284 0.024 6 0 "[ . 1 . 2]" 1
122 1 10 CYS QB 1 22 HIS HE1 0.000 . 5.340 3.895 3.509 4.066 . 0 0 "[ . 1 . 2]" 1
123 1 10 CYS HB2 1 22 HIS HE1 0.000 . 5.970 5.580 5.279 5.724 . 0 0 "[ . 1 . 2]" 1
124 1 10 CYS HB3 1 22 HIS HE1 0.000 . 5.970 3.976 3.563 4.174 . 0 0 "[ . 1 . 2]" 1
125 1 12 ALA H 1 13 ALA H 0.000 . 3.080 2.583 2.193 2.948 . 0 0 "[ . 1 . 2]" 1
126 1 12 ALA HA 1 13 ALA H 0.000 . 3.390 2.928 2.868 2.957 . 0 0 "[ . 1 . 2]" 1
127 1 13 ALA H 1 13 ALA HA 0.000 . 2.930 2.858 2.807 2.923 . 0 0 "[ . 1 . 2]" 1
128 1 13 ALA H 1 14 ALA H 0.000 . 2.680 2.007 1.977 2.187 . 0 0 "[ . 1 . 2]" 1
129 1 13 ALA H 1 15 ASN H 0.000 . 5.040 2.727 2.636 2.796 . 0 0 "[ . 1 . 2]" 1
130 1 13 ALA HA 1 14 ALA H 0.000 . 3.550 2.920 2.837 2.984 . 0 0 "[ . 1 . 2]" 1
131 1 13 ALA HA 1 15 ASN H 0.000 . 4.940 4.568 4.518 4.695 . 0 0 "[ . 1 . 2]" 1
132 1 13 ALA MB 1 14 ALA HA 0.000 . 6.750 5.015 4.980 5.056 . 0 0 "[ . 1 . 2]" 1
133 1 13 ALA MB 1 15 ASN H 0.000 . 4.950 3.624 3.474 3.855 . 0 0 "[ . 1 . 2]" 1
134 1 13 ALA MB 1 15 ASN HA 0.000 . 7.030 4.696 4.577 4.858 . 0 0 "[ . 1 . 2]" 1
135 1 13 ALA MB 1 15 ASN HB2 0.000 . 5.630 3.280 2.923 3.807 . 0 0 "[ . 1 . 2]" 1
136 1 13 ALA MB 1 15 ASN QB 0.000 . 5.380 3.223 2.882 3.723 . 0 0 "[ . 1 . 2]" 1
137 1 13 ALA MB 1 15 ASN HB3 0.000 . 5.630 4.746 4.372 5.262 . 0 0 "[ . 1 . 2]" 1
138 1 13 ALA MB 1 15 ASN QD 0.000 . 7.900 4.586 3.398 5.357 . 0 0 "[ . 1 . 2]" 1
139 1 14 ALA H 1 14 ALA HA 0.000 . 2.400 2.274 2.272 2.275 . 0 0 "[ . 1 . 2]" 1
140 1 14 ALA H 1 15 ASN H 0.000 . 3.110 2.627 2.594 2.654 . 0 0 "[ . 1 . 2]" 1
141 1 14 ALA HA 1 15 ASN H 0.000 . 2.900 2.909 2.848 2.921 0.021 7 0 "[ . 1 . 2]" 1
142 1 15 ASN H 1 15 ASN HB2 0.000 . 3.270 2.261 2.117 2.416 . 0 0 "[ . 1 . 2]" 1
143 1 15 ASN H 1 15 ASN HB3 0.000 . 3.270 3.028 2.773 3.278 0.008 9 0 "[ . 1 . 2]" 1
144 1 15 ASN H 1 18 ALA MB 0.000 . 6.310 4.622 4.371 4.847 . 0 0 "[ . 1 . 2]" 1
145 1 15 ASN HA 1 15 ASN HD22 0.000 . 5.310 3.753 3.272 4.474 . 0 0 "[ . 1 . 2]" 1
146 1 15 ASN HA 1 16 VAL H 0.000 . 2.400 2.356 2.310 2.405 0.005 13 0 "[ . 1 . 2]" 1
147 1 15 ASN HA 1 16 VAL MG1 0.000 . 6.530 5.570 5.547 5.593 . 0 0 "[ . 1 . 2]" 1
148 1 15 ASN HA 1 16 VAL MG2 0.000 . 4.950 3.962 3.878 4.077 . 0 0 "[ . 1 . 2]" 1
149 1 15 ASN HA 1 17 ALA H 0.000 . 3.640 3.645 3.622 3.650 0.010 16 0 "[ . 1 . 2]" 1
150 1 15 ASN QB 1 16 VAL H 0.000 . 4.310 3.970 3.923 4.008 . 0 0 "[ . 1 . 2]" 1
151 1 15 ASN QB 1 17 ALA H 0.000 . 6.040 4.573 4.301 4.764 . 0 0 "[ . 1 . 2]" 1
152 1 15 ASN QB 1 18 ALA H 0.000 . 4.600 3.158 2.746 3.462 . 0 0 "[ . 1 . 2]" 1
153 1 15 ASN QB 1 18 ALA MB 0.000 . 4.910 2.083 1.897 2.346 . 0 0 "[ . 1 . 2]" 1
154 1 15 ASN HB2 1 16 VAL H 0.000 . 4.640 4.656 4.647 4.663 0.023 18 0 "[ . 1 . 2]" 1
155 1 15 ASN HB2 1 18 ALA H 0.000 . 5.100 4.671 4.487 4.843 . 0 0 "[ . 1 . 2]" 1
156 1 15 ASN HB2 1 18 ALA MB 0.000 . 5.200 3.432 3.193 3.639 . 0 0 "[ . 1 . 2]" 1
157 1 15 ASN HB3 1 16 VAL H 0.000 . 4.640 4.304 4.225 4.377 . 0 0 "[ . 1 . 2]" 1
158 1 15 ASN HB3 1 18 ALA H 0.000 . 5.100 3.215 2.771 3.550 . 0 0 "[ . 1 . 2]" 1
159 1 15 ASN HB3 1 18 ALA MB 0.000 . 5.200 2.101 1.911 2.376 . 0 0 "[ . 1 . 2]" 1
160 1 16 VAL H 1 16 VAL HB 0.000 . 2.620 2.630 2.625 2.637 0.017 10 0 "[ . 1 . 2]" 1
161 1 16 VAL H 1 16 VAL MG1 0.000 . 4.760 3.761 3.757 3.764 . 0 0 "[ . 1 . 2]" 1
162 1 16 VAL H 1 16 VAL MG2 0.000 . 3.830 2.022 1.951 2.159 . 0 0 "[ . 1 . 2]" 1
163 1 16 VAL H 1 17 ALA H 0.000 . 2.990 2.757 2.707 2.787 . 0 0 "[ . 1 . 2]" 1
164 1 16 VAL HA 1 17 ALA H 0.000 . 3.550 3.550 3.547 3.553 0.003 19 0 "[ . 1 . 2]" 1
165 1 16 VAL HA 1 18 ALA H 0.000 . 4.320 4.357 4.350 4.363 0.043 8 0 "[ . 1 . 2]" 1
166 1 16 VAL HA 1 19 HIS H 0.000 . 3.240 3.252 3.242 3.259 0.019 15 0 "[ . 1 . 2]" 1
167 1 16 VAL HA 1 19 HIS HB2 0.000 . 3.580 3.578 3.553 3.594 0.014 7 0 "[ . 1 . 2]" 1
168 1 16 VAL HA 1 19 HIS HB3 0.000 . 3.300 2.197 2.158 2.237 . 0 0 "[ . 1 . 2]" 1
169 1 16 VAL HA 1 19 HIS HD2 0.000 . 4.480 3.355 3.201 3.460 . 0 0 "[ . 1 . 2]" 1
170 1 16 VAL HA 1 20 MET H 0.000 . 3.890 3.820 3.727 3.890 . 0 0 "[ . 1 . 2]" 1
171 1 16 VAL HB 1 17 ALA H 0.000 . 2.740 2.548 2.530 2.565 . 0 0 "[ . 1 . 2]" 1
172 1 16 VAL HB 1 18 ALA H 0.000 . 5.040 5.044 5.035 5.055 0.015 7 0 "[ . 1 . 2]" 1
173 1 16 VAL MG1 1 17 ALA H 0.000 . 4.760 3.557 3.538 3.589 . 0 0 "[ . 1 . 2]" 1
174 1 16 VAL MG1 1 18 ALA H 0.000 . 6.530 5.055 5.040 5.076 . 0 0 "[ . 1 . 2]" 1
175 1 16 VAL MG1 1 19 HIS H 0.000 . 6.530 4.179 4.134 4.216 . 0 0 "[ . 1 . 2]" 1
176 1 16 VAL MG1 1 19 HIS HB2 0.000 . 7.030 4.503 4.455 4.537 . 0 0 "[ . 1 . 2]" 1
177 1 16 VAL MG1 1 19 HIS HB3 0.000 . 7.030 3.117 3.073 3.154 . 0 0 "[ . 1 . 2]" 1
178 1 16 VAL MG1 1 19 HIS HD2 0.000 . 5.780 2.088 1.969 2.168 . 0 0 "[ . 1 . 2]" 1
179 1 16 VAL MG1 1 20 MET H 0.000 . 6.530 3.252 3.182 3.325 . 0 0 "[ . 1 . 2]" 1
180 1 16 VAL MG1 1 20 MET QB 0.000 . 7.910 2.932 2.803 3.031 . 0 0 "[ . 1 . 2]" 1
181 1 16 VAL MG1 1 20 MET QG 0.000 . 5.730 4.390 4.059 4.683 . 0 0 "[ . 1 . 2]" 1
182 1 16 VAL MG2 1 17 ALA H 0.000 . 4.980 3.747 3.725 3.767 . 0 0 "[ . 1 . 2]" 1
183 1 16 VAL MG2 1 19 HIS H 0.000 . 6.530 5.078 5.066 5.088 . 0 0 "[ . 1 . 2]" 1
184 1 16 VAL MG2 1 19 HIS HB2 0.000 . 7.030 5.216 5.159 5.255 . 0 0 "[ . 1 . 2]" 1
185 1 16 VAL MG2 1 19 HIS HB3 0.000 . 7.030 4.235 4.169 4.281 . 0 0 "[ . 1 . 2]" 1
186 1 16 VAL MG2 1 19 HIS HD2 0.000 . 6.530 4.341 4.243 4.459 . 0 0 "[ . 1 . 2]" 1
187 1 17 ALA H 1 17 ALA HA 0.000 . 2.770 2.779 2.771 2.787 0.017 6 0 "[ . 1 . 2]" 1
188 1 17 ALA H 1 18 ALA H 0.000 . 2.800 2.778 2.750 2.805 0.005 13 0 "[ . 1 . 2]" 1
189 1 17 ALA H 1 19 HIS H 0.000 . 3.980 3.918 3.890 3.944 . 0 0 "[ . 1 . 2]" 1
190 1 17 ALA HA 1 19 HIS H 0.000 . 4.170 3.997 3.951 4.034 . 0 0 "[ . 1 . 2]" 1
191 1 17 ALA HA 1 20 MET H 0.000 . 3.390 3.475 3.462 3.480 0.090 16 0 "[ . 1 . 2]" 1
192 1 17 ALA HA 1 20 MET HB2 0.000 . 3.890 3.843 3.795 3.882 . 0 0 "[ . 1 . 2]" 1
193 1 17 ALA HA 1 20 MET QB 0.000 . 3.630 3.011 2.939 3.043 . 0 0 "[ . 1 . 2]" 1
194 1 17 ALA HA 1 20 MET HB3 0.000 . 3.890 3.146 3.046 3.182 . 0 0 "[ . 1 . 2]" 1
195 1 17 ALA HA 1 20 MET QG 0.000 . 5.730 5.072 4.866 5.189 . 0 0 "[ . 1 . 2]" 1
196 1 17 ALA MB 1 20 MET H 0.000 . 5.970 4.752 4.741 4.761 . 0 0 "[ . 1 . 2]" 1
197 1 19 HIS H 1 19 HIS HB2 0.000 . 3.150 3.044 3.032 3.067 . 0 0 "[ . 1 . 2]" 1
198 1 19 HIS H 1 19 HIS HB3 0.000 . 3.120 2.117 2.113 2.130 . 0 0 "[ . 1 . 2]" 1
199 1 19 HIS H 1 19 HIS HD2 0.000 . 4.630 4.288 4.265 4.302 . 0 0 "[ . 1 . 2]" 1
200 1 19 HIS H 1 20 MET H 0.000 . 2.770 2.670 2.622 2.702 . 0 0 "[ . 1 . 2]" 1
201 1 19 HIS H 1 20 MET QB 0.000 . 5.240 4.402 4.358 4.432 . 0 0 "[ . 1 . 2]" 1
202 1 19 HIS H 1 20 MET QG 0.000 . 6.380 6.245 6.193 6.274 . 0 0 "[ . 1 . 2]" 1
203 1 19 HIS HA 1 19 HIS HD2 0.000 . 5.280 4.707 4.698 4.716 . 0 0 "[ . 1 . 2]" 1
204 1 19 HIS HA 1 21 THR H 0.000 . 4.200 4.151 4.128 4.185 . 0 0 "[ . 1 . 2]" 1
205 1 19 HIS HA 1 22 HIS H 0.000 . 4.070 3.943 3.922 3.963 . 0 0 "[ . 1 . 2]" 1
206 1 19 HIS HA 1 22 HIS HD2 0.000 . 5.130 3.674 3.638 3.728 . 0 0 "[ . 1 . 2]" 1
207 1 19 HIS HA 1 22 HIS HE1 0.000 . 2.960 3.015 3.006 3.020 0.060 17 0 "[ . 1 . 2]" 1
208 1 19 HIS HA 1 23 CYS H 0.000 . 5.500 4.347 4.334 4.366 . 0 0 "[ . 1 . 2]" 1
209 1 19 HIS HB2 1 19 HIS HD2 0.000 . 3.980 3.815 3.808 3.820 . 0 0 "[ . 1 . 2]" 1
210 1 19 HIS HB2 1 20 MET H 0.000 . 3.860 3.889 3.878 3.900 0.040 16 0 "[ . 1 . 2]" 1
211 1 19 HIS HB2 1 21 THR H 0.000 . 6.000 5.613 5.598 5.633 . 0 0 "[ . 1 . 2]" 1
212 1 19 HIS HB2 1 22 HIS HE1 0.000 . 6.000 4.850 4.785 4.875 . 0 0 "[ . 1 . 2]" 1
213 1 19 HIS HB3 1 19 HIS HD2 0.000 . 3.520 2.702 2.695 2.706 . 0 0 "[ . 1 . 2]" 1
214 1 19 HIS HB3 1 20 MET H 0.000 . 3.580 2.601 2.587 2.618 . 0 0 "[ . 1 . 2]" 1
215 1 19 HIS HB3 1 22 HIS HE1 0.000 . 6.000 5.774 5.759 5.792 . 0 0 "[ . 1 . 2]" 1
216 1 19 HIS HD2 1 20 MET H 0.000 . 4.690 2.593 2.562 2.635 . 0 0 "[ . 1 . 2]" 1
217 1 19 HIS HD2 1 20 MET HA 0.000 . 4.230 3.491 3.451 3.520 . 0 0 "[ . 1 . 2]" 1
218 1 19 HIS HD2 1 20 MET HB2 0.000 . 6.000 2.759 2.729 2.805 . 0 0 "[ . 1 . 2]" 1
219 1 19 HIS HD2 1 20 MET QB 0.000 . 5.780 2.728 2.700 2.773 . 0 0 "[ . 1 . 2]" 1
220 1 19 HIS HD2 1 20 MET HB3 0.000 . 6.000 4.310 4.257 4.359 . 0 0 "[ . 1 . 2]" 1
221 1 19 HIS HD2 1 20 MET QG 0.000 . 6.220 4.189 4.014 4.399 . 0 0 "[ . 1 . 2]" 1
222 1 19 HIS HD2 1 23 CYS HB2 0.000 . 3.710 3.884 3.878 3.891 0.181 1 0 "[ . 1 . 2]" 1
223 1 19 HIS HD2 1 23 CYS HB3 0.000 . 4.880 4.502 4.480 4.528 . 0 0 "[ . 1 . 2]" 1
224 1 19 HIS HE1 1 20 MET HA 0.000 . 5.500 4.981 4.964 4.998 . 0 0 "[ . 1 . 2]" 1
225 1 19 HIS HE1 1 23 CYS HA 0.000 . 5.070 4.738 4.723 4.765 . 0 0 "[ . 1 . 2]" 1
226 1 19 HIS HE1 1 23 CYS HB2 0.000 . 5.380 3.075 3.060 3.095 . 0 0 "[ . 1 . 2]" 1
227 1 19 HIS HE1 1 23 CYS HB3 0.000 . 5.040 2.353 2.341 2.362 . 0 0 "[ . 1 . 2]" 1
228 1 20 MET H 1 20 MET HB2 0.000 . 3.830 2.325 2.309 2.348 . 0 0 "[ . 1 . 2]" 1
229 1 20 MET H 1 20 MET QB 0.000 . 3.470 2.208 2.202 2.216 . 0 0 "[ . 1 . 2]" 1
230 1 20 MET H 1 20 MET HB3 0.000 . 3.830 2.756 2.719 2.779 . 0 0 "[ . 1 . 2]" 1
231 1 20 MET H 1 20 MET QG 0.000 . 4.210 3.927 3.893 3.962 . 0 0 "[ . 1 . 2]" 1
232 1 20 MET H 1 21 THR H 0.000 . 3.020 2.691 2.684 2.702 . 0 0 "[ . 1 . 2]" 1
233 1 20 MET H 1 22 HIS H 0.000 . 4.540 4.222 4.190 4.236 . 0 0 "[ . 1 . 2]" 1
234 1 20 MET H 1 23 CYS H 0.000 . 4.290 4.222 4.215 4.235 . 0 0 "[ . 1 . 2]" 1
235 1 20 MET HA 1 22 HIS H 0.000 . 3.390 3.467 3.444 3.472 0.082 6 0 "[ . 1 . 2]" 1
236 1 20 MET HA 1 22 HIS HD2 0.000 . 5.500 4.821 4.797 4.838 . 0 0 "[ . 1 . 2]" 1
237 1 20 MET HA 1 23 CYS H 0.000 . 3.050 2.395 2.386 2.413 . 0 0 "[ . 1 . 2]" 1
238 1 20 MET HA 1 23 CYS HB2 0.000 . 3.400 2.574 2.556 2.613 . 0 0 "[ . 1 . 2]" 1
239 1 20 MET HA 1 23 CYS HB3 0.000 . 3.520 3.452 3.438 3.477 . 0 0 "[ . 1 . 2]" 1
240 1 20 MET QB 1 21 THR H 0.000 . 4.300 2.878 2.838 2.897 . 0 0 "[ . 1 . 2]" 1
241 1 20 MET QB 1 23 CYS H 0.000 . 4.370 4.278 4.273 4.286 . 0 0 "[ . 1 . 2]" 1
242 1 20 MET HB2 1 21 THR H 0.000 . 4.670 3.923 3.912 3.937 . 0 0 "[ . 1 . 2]" 1
243 1 20 MET HB2 1 23 CYS H 0.000 . 4.730 4.827 4.821 4.832 0.102 7 0 "[ . 1 . 2]" 1
244 1 20 MET HB3 1 21 THR H 0.000 . 4.670 2.960 2.911 2.985 . 0 0 "[ . 1 . 2]" 1
245 1 20 MET HB3 1 23 CYS H 0.000 . 4.730 4.778 4.767 4.791 0.061 7 0 "[ . 1 . 2]" 1
246 1 20 MET QG 1 21 THR H 0.000 . 6.380 4.199 4.075 4.281 . 0 0 "[ . 1 . 2]" 1
247 1 20 MET QG 1 22 HIS HD2 0.000 . 6.380 6.419 6.412 6.427 0.047 19 0 "[ . 1 . 2]" 1
248 1 21 THR H 1 21 THR HA 0.000 . 2.860 2.762 2.759 2.764 . 0 0 "[ . 1 . 2]" 1
249 1 21 THR H 1 21 THR HB 0.000 . 3.140 2.215 2.198 2.412 . 0 0 "[ . 1 . 2]" 1
250 1 21 THR H 1 21 THR MG 0.000 . 3.770 2.829 2.739 3.746 . 0 0 "[ . 1 . 2]" 1
251 1 21 THR H 1 22 HIS H 0.000 . 2.860 2.685 2.680 2.696 . 0 0 "[ . 1 . 2]" 1
252 1 21 THR HA 1 21 THR HB 0.000 . 2.800 2.643 2.616 2.994 0.194 7 0 "[ . 1 . 2]" 1
253 1 21 THR HA 1 21 THR MG 0.000 . 3.640 3.163 2.549 3.199 . 0 0 "[ . 1 . 2]" 1
254 1 21 THR HA 1 22 HIS H 0.000 . 3.480 3.443 3.435 3.446 . 0 0 "[ . 1 . 2]" 1
255 1 21 THR HA 1 23 CYS H 0.000 . 4.570 4.550 4.520 4.558 . 0 0 "[ . 1 . 2]" 1
256 1 21 THR HB 1 22 HIS H 0.000 . 3.700 3.746 3.066 3.787 0.087 9 0 "[ . 1 . 2]" 1
257 1 21 THR MG 1 22 HIS H 0.000 . 5.570 2.262 2.160 3.639 . 0 0 "[ . 1 . 2]" 1
258 1 22 HIS H 1 22 HIS HB2 0.000 . 4.050 3.791 3.780 3.818 . 0 0 "[ . 1 . 2]" 1
259 1 22 HIS H 1 22 HIS QB 0.000 . 3.870 3.093 3.085 3.100 . 0 0 "[ . 1 . 2]" 1
260 1 22 HIS H 1 22 HIS HB3 0.000 . 4.050 3.279 3.266 3.293 . 0 0 "[ . 1 . 2]" 1
261 1 22 HIS H 1 22 HIS HD2 0.000 . 4.350 3.304 3.273 3.319 . 0 0 "[ . 1 . 2]" 1
262 1 22 HIS H 1 23 CYS H 0.000 . 2.460 1.842 1.824 1.851 . 0 0 "[ . 1 . 2]" 1
263 1 22 HIS HA 1 22 HIS HB2 0.000 . 3.020 2.511 2.491 2.522 . 0 0 "[ . 1 . 2]" 1
264 1 22 HIS HA 1 22 HIS HB3 0.000 . 3.020 2.401 2.390 2.418 . 0 0 "[ . 1 . 2]" 1
265 1 22 HIS HA 1 22 HIS HD2 0.000 . 5.070 4.223 4.169 4.257 . 0 0 "[ . 1 . 2]" 1
266 1 22 HIS HA 1 23 CYS H 0.000 . 3.330 3.366 3.351 3.370 0.040 16 0 "[ . 1 . 2]" 1
267 1 22 HIS QB 1 23 CYS H 0.000 . 4.530 3.841 3.826 3.871 . 0 0 "[ . 1 . 2]" 1
268 1 22 HIS HB2 1 23 CYS H 0.000 . 4.820 4.214 4.187 4.268 . 0 0 "[ . 1 . 2]" 1
269 1 22 HIS HB3 1 23 CYS H 0.000 . 4.820 4.427 4.415 4.435 . 0 0 "[ . 1 . 2]" 1
270 1 22 HIS HD2 1 23 CYS H 0.000 . 4.200 2.937 2.906 2.973 . 0 0 "[ . 1 . 2]" 1
271 1 22 HIS HD2 1 23 CYS HA 0.000 . 3.920 3.252 3.182 3.320 . 0 0 "[ . 1 . 2]" 1
272 1 22 HIS HD2 1 23 CYS HB2 0.000 . 4.050 2.992 2.923 3.024 . 0 0 "[ . 1 . 2]" 1
273 1 22 HIS HD2 1 23 CYS HB3 0.000 . 4.640 4.087 4.036 4.119 . 0 0 "[ . 1 . 2]" 1
274 1 23 CYS H 1 23 CYS HB2 0.000 . 3.300 2.400 2.395 2.414 . 0 0 "[ . 1 . 2]" 1
275 1 23 CYS H 1 23 CYS HB3 0.000 . 3.460 3.562 3.554 3.568 0.108 3 0 "[ . 1 . 2]" 1
276 1 23 CYS H 1 24 ALA H 0.000 . 4.290 3.600 2.899 4.266 . 0 0 "[ . 1 . 2]" 1
277 1 23 CYS HA 1 24 ALA H 0.000 . 2.770 2.438 2.136 2.774 0.004 16 0 "[ . 1 . 2]" 1
278 1 23 CYS HA 1 25 LYS H 0.000 . 4.140 3.602 3.303 4.141 0.001 14 0 "[ . 1 . 2]" 1
279 1 23 CYS HB2 1 24 ALA H 0.000 . 4.510 4.458 4.339 4.517 0.007 19 0 "[ . 1 . 2]" 1
280 1 23 CYS HB3 1 24 ALA H 0.000 . 4.880 4.014 3.616 4.340 . 0 0 "[ . 1 . 2]" 1
281 1 24 ALA H 1 25 LYS H 0.000 . 3.330 2.641 2.060 3.331 0.001 14 0 "[ . 1 . 2]" 1
282 1 24 ALA HA 1 25 LYS H 0.000 . 2.860 2.797 2.471 2.860 0.000 17 0 "[ . 1 . 2]" 1
283 1 25 LYS H 1 25 LYS HA 0.000 . 2.900 2.891 2.814 2.906 0.006 5 0 "[ . 1 . 2]" 1
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