NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
442227 |
2kcg   |
16073 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kcg
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 288
_Distance_constraint_stats_list.Viol_count 1030
_Distance_constraint_stats_list.Viol_total 1552.449
_Distance_constraint_stats_list.Viol_max 0.480
_Distance_constraint_stats_list.Viol_rms 0.0393
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0135
_Distance_constraint_stats_list.Viol_average_violations_only 0.0754
_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 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ILE 9.022 0.480 7 0 "[ . 1 . 2]"
1 3 PRO 6.153 0.157 18 0 "[ . 1 . 2]"
1 4 CYS 6.036 0.145 19 0 "[ . 1 . 2]"
1 5 GLY 3.811 0.157 18 0 "[ . 1 . 2]"
1 6 GLU 12.022 0.168 17 0 "[ . 1 . 2]"
1 7 SER 8.781 0.161 7 0 "[ . 1 . 2]"
1 8 CYS 3.978 0.131 19 0 "[ . 1 . 2]"
1 9 VAL 0.657 0.143 7 0 "[ . 1 . 2]"
1 10 TRP 3.441 0.245 11 0 "[ . 1 . 2]"
1 11 ILE 2.008 0.148 15 0 "[ . 1 . 2]"
1 12 PRO 1.764 0.130 20 0 "[ . 1 . 2]"
1 13 CYS 4.914 0.179 10 0 "[ . 1 . 2]"
1 15 SER 0.036 0.017 4 0 "[ . 1 . 2]"
1 16 SER 0.953 0.103 12 0 "[ . 1 . 2]"
1 17 ALA 1.761 0.143 13 0 "[ . 1 . 2]"
1 18 ILE 6.679 0.177 7 0 "[ . 1 . 2]"
1 19 GLY 1.942 0.177 7 0 "[ . 1 . 2]"
1 20 CYS 5.962 0.202 20 0 "[ . 1 . 2]"
1 21 SER 2.977 0.202 20 0 "[ . 1 . 2]"
1 22 CYS 0.163 0.061 15 0 "[ . 1 . 2]"
1 23 LYS 3.400 0.192 14 0 "[ . 1 . 2]"
1 24 SER 3.015 0.176 16 0 "[ . 1 . 2]"
1 25 LYS 3.910 0.189 18 0 "[ . 1 . 2]"
1 26 VAL 3.951 0.189 18 0 "[ . 1 . 2]"
1 27 CYS 8.087 0.192 14 0 "[ . 1 . 2]"
1 28 TYR 14.498 0.142 2 0 "[ . 1 . 2]"
1 29 ARG 10.014 0.157 17 0 "[ . 1 . 2]"
1 30 ASN 0.000 0.000 . 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 GLY QA 1 2 ILE H 2.455 . 3.110 2.858 2.824 2.878 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLY QA 1 28 TYR QB 2.985 . 4.170 3.217 3.140 3.362 . 0 0 "[ . 1 . 2]" 1
3 1 1 GLY QA 1 28 TYR HD2 3.090 . 4.380 3.276 3.107 3.436 . 0 0 "[ . 1 . 2]" 1
4 1 2 ILE H 1 2 ILE HB 2.225 . 2.650 2.544 2.518 2.594 . 0 0 "[ . 1 . 2]" 1
5 1 2 ILE H 1 2 ILE MD 3.835 . 5.870 3.560 3.454 3.739 . 0 0 "[ . 1 . 2]" 1
6 1 2 ILE H 1 2 ILE HG12 2.625 . 3.450 2.791 2.451 3.486 0.036 2 0 "[ . 1 . 2]" 1
7 1 2 ILE H 1 2 ILE HG13 2.625 . 3.450 3.402 2.258 3.930 0.480 7 0 "[ . 1 . 2]" 1
8 1 2 ILE H 1 2 ILE MG 3.570 . 5.340 3.807 3.801 3.815 . 0 0 "[ . 1 . 2]" 1
9 1 2 ILE H 1 28 TYR QB 2.915 . 4.030 3.800 3.666 3.955 . 0 0 "[ . 1 . 2]" 1
10 1 2 ILE H 1 28 TYR HD2 3.400 . 5.000 4.276 4.132 4.361 . 0 0 "[ . 1 . 2]" 1
11 1 2 ILE H 1 29 ARG H 2.440 . 3.080 3.218 3.190 3.237 0.157 17 0 "[ . 1 . 2]" 1
12 1 2 ILE HA 1 3 PRO QD 2.225 . 2.650 1.906 1.894 1.920 . 0 0 "[ . 1 . 2]" 1
13 1 2 ILE HA 1 28 TYR HD2 3.170 . 4.540 3.516 3.362 3.633 . 0 0 "[ . 1 . 2]" 1
14 1 2 ILE HB 1 29 ARG H 3.075 . 4.350 3.925 3.813 3.993 . 0 0 "[ . 1 . 2]" 1
15 1 2 ILE MG 1 3 PRO QD 2.815 . 3.830 2.210 2.018 2.404 . 0 0 "[ . 1 . 2]" 1
16 1 3 PRO HA 1 4 CYS H 2.115 . 2.430 2.118 2.108 2.137 . 0 0 "[ . 1 . 2]" 1
17 1 3 PRO HA 1 5 GLY H 2.970 . 4.140 3.443 3.397 3.473 . 0 0 "[ . 1 . 2]" 1
18 1 3 PRO HA 1 26 VAL QG 4.110 . 6.420 3.455 3.297 3.580 . 0 0 "[ . 1 . 2]" 1
19 1 3 PRO HA 1 28 TYR HA 2.425 . 3.050 1.766 1.723 1.838 0.077 18 0 "[ . 1 . 2]" 1
20 1 3 PRO HA 1 28 TYR HD1 3.170 . 4.540 3.971 3.878 4.012 . 0 0 "[ . 1 . 2]" 1
21 1 3 PRO HA 1 29 ARG H 2.795 . 3.790 3.336 3.287 3.413 . 0 0 "[ . 1 . 2]" 1
22 1 3 PRO QB 1 4 CYS H 2.635 . 3.470 3.249 3.215 3.289 . 0 0 "[ . 1 . 2]" 1
23 1 3 PRO QB 1 5 GLY H 2.725 . 3.650 2.655 2.610 2.687 . 0 0 "[ . 1 . 2]" 1
24 1 3 PRO QB 1 26 VAL QG 3.115 . 4.430 2.238 2.024 2.371 . 0 0 "[ . 1 . 2]" 1
25 1 3 PRO QB 1 28 TYR HD1 3.150 . 4.500 4.500 4.429 4.536 0.036 18 0 "[ . 1 . 2]" 1
26 1 3 PRO QB 1 28 TYR HD2 3.150 . 4.500 4.417 4.354 4.524 0.024 19 0 "[ . 1 . 2]" 1
27 1 3 PRO QG 1 4 CYS H 3.210 . 4.620 4.630 4.605 4.646 0.026 9 0 "[ . 1 . 2]" 1
28 1 3 PRO QG 1 5 GLY H 3.135 . 4.470 4.598 4.560 4.627 0.157 18 0 "[ . 1 . 2]" 1
29 1 3 PRO QG 1 26 VAL QG 3.525 . 5.250 3.098 2.925 3.239 . 0 0 "[ . 1 . 2]" 1
30 1 3 PRO QG 1 28 TYR HD1 3.100 . 4.400 4.518 4.500 4.529 0.129 7 0 "[ . 1 . 2]" 1
31 1 3 PRO QG 1 28 TYR HD2 3.100 . 4.400 2.966 2.865 3.163 . 0 0 "[ . 1 . 2]" 1
32 1 4 CYS H 1 4 CYS HB2 2.645 . 3.490 2.472 2.397 2.559 . 0 0 "[ . 1 . 2]" 1
33 1 4 CYS H 1 4 CYS QB 2.225 . 2.650 2.429 2.363 2.505 . 0 0 "[ . 1 . 2]" 1
34 1 4 CYS H 1 4 CYS HB3 2.645 . 3.490 3.575 3.568 3.580 0.090 19 0 "[ . 1 . 2]" 1
35 1 4 CYS H 1 5 GLY H 2.380 . 2.960 2.519 2.478 2.570 . 0 0 "[ . 1 . 2]" 1
36 1 4 CYS H 1 6 GLU H 2.955 . 4.110 4.063 3.903 4.138 0.028 1 0 "[ . 1 . 2]" 1
37 1 4 CYS H 1 26 VAL QG 4.110 . 6.420 3.968 3.813 4.150 . 0 0 "[ . 1 . 2]" 1
38 1 4 CYS H 1 27 CYS QB 3.515 . 5.230 3.685 3.481 3.787 . 0 0 "[ . 1 . 2]" 1
39 1 4 CYS H 1 28 TYR HA 2.365 . 2.930 2.336 2.276 2.383 . 0 0 "[ . 1 . 2]" 1
40 1 4 CYS H 1 28 TYR HD2 3.650 . 5.500 5.574 5.534 5.602 0.102 18 0 "[ . 1 . 2]" 1
41 1 4 CYS H 1 29 ARG H 2.970 . 4.140 3.650 3.580 3.712 . 0 0 "[ . 1 . 2]" 1
42 1 4 CYS HA 1 4 CYS HB2 2.400 . 3.000 3.022 3.019 3.024 0.024 8 0 "[ . 1 . 2]" 1
43 1 4 CYS HA 1 4 CYS QB 2.135 . 2.470 2.357 2.322 2.393 . 0 0 "[ . 1 . 2]" 1
44 1 4 CYS HA 1 4 CYS HB3 2.400 . 3.000 2.460 2.413 2.509 . 0 0 "[ . 1 . 2]" 1
45 1 4 CYS HA 1 29 ARG H 3.215 . 4.630 4.733 4.706 4.775 0.145 19 0 "[ . 1 . 2]" 1
46 1 4 CYS QB 1 5 GLY H 2.580 . 3.360 3.241 3.177 3.341 . 0 0 "[ . 1 . 2]" 1
47 1 5 GLY H 1 5 GLY QA 2.155 . 2.510 2.275 2.259 2.290 . 0 0 "[ . 1 . 2]" 1
48 1 5 GLY H 1 6 GLU H 2.300 . 2.800 2.862 2.819 2.898 0.098 7 0 "[ . 1 . 2]" 1
49 1 5 GLY QA 1 6 GLU H 2.395 . 2.990 2.783 2.755 2.810 . 0 0 "[ . 1 . 2]" 1
50 1 5 GLY HA2 1 6 GLU H 2.660 . 3.520 3.491 3.457 3.510 . 0 0 "[ . 1 . 2]" 1
51 1 5 GLY HA3 1 6 GLU H 2.660 . 3.520 2.924 2.892 2.966 . 0 0 "[ . 1 . 2]" 1
52 1 6 GLU H 1 6 GLU HB2 2.660 . 3.520 2.393 2.316 2.500 . 0 0 "[ . 1 . 2]" 1
53 1 6 GLU H 1 6 GLU QB 2.395 . 2.990 2.359 2.287 2.453 . 0 0 "[ . 1 . 2]" 1
54 1 6 GLU H 1 6 GLU HB3 2.660 . 3.520 3.571 3.551 3.585 0.065 1 0 "[ . 1 . 2]" 1
55 1 6 GLU H 1 6 GLU HG2 3.650 . 5.500 3.680 3.442 3.979 . 0 0 "[ . 1 . 2]" 1
56 1 6 GLU H 1 6 GLU QG 3.300 . 4.800 2.415 2.057 2.602 . 0 0 "[ . 1 . 2]" 1
57 1 6 GLU H 1 6 GLU HG3 3.650 . 5.500 2.450 2.073 2.645 . 0 0 "[ . 1 . 2]" 1
58 1 6 GLU H 1 7 SER H 3.080 . 4.360 4.497 4.472 4.521 0.161 7 0 "[ . 1 . 2]" 1
59 1 6 GLU H 1 26 VAL QG 4.110 . 6.420 4.515 4.327 4.709 . 0 0 "[ . 1 . 2]" 1
60 1 6 GLU H 1 27 CYS QB 2.650 . 3.500 3.598 3.191 3.668 0.168 17 0 "[ . 1 . 2]" 1
61 1 6 GLU HA 1 6 GLU HB2 2.380 . 2.960 3.004 2.997 3.011 0.051 4 0 "[ . 1 . 2]" 1
62 1 6 GLU HA 1 6 GLU QB 2.170 . 2.540 2.382 2.349 2.412 . 0 0 "[ . 1 . 2]" 1
63 1 6 GLU HA 1 6 GLU HB3 2.380 . 2.960 2.498 2.452 2.542 . 0 0 "[ . 1 . 2]" 1
64 1 6 GLU HA 1 6 GLU HG2 2.735 . 3.670 2.565 2.476 2.855 . 0 0 "[ . 1 . 2]" 1
65 1 6 GLU HA 1 6 GLU HG3 2.735 . 3.670 2.941 2.618 3.050 . 0 0 "[ . 1 . 2]" 1
66 1 6 GLU HA 1 7 SER H 2.130 . 2.460 2.123 2.093 2.168 . 0 0 "[ . 1 . 2]" 1
67 1 6 GLU QB 1 7 SER H 2.470 . 3.140 2.858 2.756 2.933 . 0 0 "[ . 1 . 2]" 1
68 1 6 GLU QB 1 27 CYS QB 2.745 . 3.690 2.530 1.776 2.829 0.024 4 0 "[ . 1 . 2]" 1
69 1 6 GLU HB2 1 7 SER H 2.855 . 3.910 3.998 3.922 4.044 0.134 6 0 "[ . 1 . 2]" 1
70 1 6 GLU HB3 1 7 SER H 2.720 . 3.640 2.928 2.810 3.012 . 0 0 "[ . 1 . 2]" 1
71 1 6 GLU QG 1 7 SER H 2.825 . 3.850 3.859 3.715 3.996 0.146 4 0 "[ . 1 . 2]" 1
72 1 6 GLU HG2 1 7 SER H 3.140 . 4.480 4.063 3.867 4.253 . 0 0 "[ . 1 . 2]" 1
73 1 6 GLU HG3 1 7 SER H 3.285 . 4.770 4.825 4.549 4.885 0.115 10 0 "[ . 1 . 2]" 1
74 1 7 SER H 1 7 SER HB2 2.760 . 3.720 2.727 2.675 2.804 . 0 0 "[ . 1 . 2]" 1
75 1 7 SER H 1 7 SER QB 2.285 . 2.770 2.664 2.619 2.733 . 0 0 "[ . 1 . 2]" 1
76 1 7 SER H 1 7 SER HB3 2.760 . 3.720 3.745 3.723 3.779 0.059 4 0 "[ . 1 . 2]" 1
77 1 7 SER HA 1 8 CYS H 2.440 . 3.080 2.148 2.131 2.170 . 0 0 "[ . 1 . 2]" 1
78 1 7 SER HA 1 26 VAL HA 2.735 . 3.670 2.051 1.862 2.204 . 0 0 "[ . 1 . 2]" 1
79 1 7 SER HA 1 27 CYS H 2.860 . 3.920 2.732 2.483 2.966 . 0 0 "[ . 1 . 2]" 1
80 1 7 SER QB 1 9 VAL H 3.030 . 4.260 2.932 2.755 3.093 . 0 0 "[ . 1 . 2]" 1
81 1 7 SER QB 1 9 VAL QG 3.200 . 4.600 2.089 1.938 2.180 . 0 0 "[ . 1 . 2]" 1
82 1 7 SER HB2 1 8 CYS H 2.850 . 3.900 3.991 3.950 4.031 0.131 19 0 "[ . 1 . 2]" 1
83 1 7 SER HB2 1 9 VAL H 3.325 . 4.850 3.239 3.128 3.379 . 0 0 "[ . 1 . 2]" 1
84 1 7 SER HB3 1 8 CYS H 2.610 . 3.420 3.251 3.136 3.417 . 0 0 "[ . 1 . 2]" 1
85 1 7 SER HB3 1 9 VAL H 3.325 . 4.850 3.359 3.043 3.715 . 0 0 "[ . 1 . 2]" 1
86 1 8 CYS H 1 8 CYS QB 2.675 . 3.550 2.945 2.909 2.980 . 0 0 "[ . 1 . 2]" 1
87 1 8 CYS H 1 9 VAL QG 3.485 . 5.170 3.541 3.331 3.850 . 0 0 "[ . 1 . 2]" 1
88 1 8 CYS H 1 25 LYS HA 2.550 . 3.300 3.352 3.305 3.411 0.111 19 0 "[ . 1 . 2]" 1
89 1 8 CYS H 1 25 LYS QB 3.485 . 5.170 3.898 3.662 4.559 . 0 0 "[ . 1 . 2]" 1
90 1 8 CYS H 1 26 VAL HA 2.485 . 3.170 2.692 2.485 2.880 . 0 0 "[ . 1 . 2]" 1
91 1 8 CYS H 1 27 CYS H 2.610 . 3.420 3.454 3.411 3.496 0.076 18 0 "[ . 1 . 2]" 1
92 1 8 CYS HA 1 8 CYS HB2 2.300 . 2.800 2.616 2.569 2.678 . 0 0 "[ . 1 . 2]" 1
93 1 8 CYS HA 1 8 CYS HB3 2.300 . 2.800 2.324 2.293 2.354 . 0 0 "[ . 1 . 2]" 1
94 1 8 CYS HA 1 9 VAL H 2.440 . 3.080 2.664 2.528 2.808 . 0 0 "[ . 1 . 2]" 1
95 1 8 CYS HA 1 10 TRP H 3.030 . 4.260 3.845 3.486 4.271 0.011 18 0 "[ . 1 . 2]" 1
96 1 8 CYS HA 1 11 ILE H 2.780 . 3.760 3.754 3.588 3.845 0.085 7 0 "[ . 1 . 2]" 1
97 1 8 CYS QB 1 9 VAL H 3.005 . 4.210 3.999 3.966 4.017 . 0 0 "[ . 1 . 2]" 1
98 1 8 CYS QB 1 12 PRO HA 2.560 . 3.320 2.330 2.129 2.625 . 0 0 "[ . 1 . 2]" 1
99 1 8 CYS QB 1 13 CYS H 3.155 . 4.510 2.674 2.463 3.126 . 0 0 "[ . 1 . 2]" 1
100 1 8 CYS HB2 1 9 VAL H 3.370 . 4.940 4.371 4.333 4.397 . 0 0 "[ . 1 . 2]" 1
101 1 8 CYS HB2 1 12 PRO HA 2.935 . 4.070 2.971 2.704 3.613 . 0 0 "[ . 1 . 2]" 1
102 1 8 CYS HB2 1 13 CYS H 3.555 . 5.310 4.168 3.919 4.751 . 0 0 "[ . 1 . 2]" 1
103 1 8 CYS HB3 1 9 VAL H 3.370 . 4.940 4.635 4.598 4.654 . 0 0 "[ . 1 . 2]" 1
104 1 8 CYS HB3 1 12 PRO HA 2.935 . 4.070 2.449 2.168 2.696 . 0 0 "[ . 1 . 2]" 1
105 1 8 CYS HB3 1 13 CYS H 3.555 . 5.310 2.707 2.489 3.183 . 0 0 "[ . 1 . 2]" 1
106 1 9 VAL H 1 9 VAL HB 2.285 . 2.770 2.611 2.550 2.661 . 0 0 "[ . 1 . 2]" 1
107 1 9 VAL H 1 9 VAL MG1 3.630 . 5.460 3.775 3.763 3.789 . 0 0 "[ . 1 . 2]" 1
108 1 9 VAL H 1 9 VAL QG 2.935 . 4.070 2.059 1.847 2.245 . 0 0 "[ . 1 . 2]" 1
109 1 9 VAL H 1 9 VAL MG2 3.630 . 5.460 2.069 1.851 2.261 . 0 0 "[ . 1 . 2]" 1
110 1 9 VAL H 1 10 TRP H 2.425 . 3.050 2.677 2.432 2.812 . 0 0 "[ . 1 . 2]" 1
111 1 9 VAL H 1 11 ILE H 3.045 . 4.290 3.996 3.604 4.275 . 0 0 "[ . 1 . 2]" 1
112 1 9 VAL HA 1 25 LYS QB 2.735 . 3.670 2.583 2.042 3.813 0.143 7 0 "[ . 1 . 2]" 1
113 1 9 VAL HA 1 25 LYS QG 3.455 . 5.110 2.790 1.702 4.452 0.098 19 0 "[ . 1 . 2]" 1
114 1 9 VAL HB 1 10 TRP H 2.350 . 2.900 2.400 2.129 2.646 . 0 0 "[ . 1 . 2]" 1
115 1 9 VAL QG 1 10 TRP H 3.375 . 4.950 3.163 2.973 3.296 . 0 0 "[ . 1 . 2]" 1
116 1 9 VAL QG 1 10 TRP HD1 3.495 . 5.190 3.220 2.562 4.505 . 0 0 "[ . 1 . 2]" 1
117 1 9 VAL QG 1 10 TRP HE1 4.110 . 6.420 2.913 2.510 4.022 . 0 0 "[ . 1 . 2]" 1
118 1 9 VAL QG 1 10 TRP HZ2 4.050 . 6.300 3.872 3.549 4.159 . 0 0 "[ . 1 . 2]" 1
119 1 9 VAL QG 1 25 LYS QB 2.900 . 4.000 2.355 1.834 3.851 . 0 0 "[ . 1 . 2]" 1
120 1 9 VAL QG 1 25 LYS QE 4.530 . 7.260 3.219 1.803 4.263 . 0 0 "[ . 1 . 2]" 1
121 1 9 VAL MG1 1 10 TRP H 3.925 . 6.050 3.452 3.159 3.634 . 0 0 "[ . 1 . 2]" 1
122 1 9 VAL MG1 1 10 TRP HD1 4.130 . 6.460 3.321 2.582 4.594 . 0 0 "[ . 1 . 2]" 1
123 1 9 VAL MG2 1 10 TRP H 3.925 . 6.050 3.678 3.556 3.774 . 0 0 "[ . 1 . 2]" 1
124 1 9 VAL MG2 1 10 TRP HD1 4.130 . 6.460 4.447 3.721 6.506 0.046 15 0 "[ . 1 . 2]" 1
125 1 10 TRP H 1 10 TRP HB2 2.710 . 3.620 2.610 2.536 2.692 . 0 0 "[ . 1 . 2]" 1
126 1 10 TRP H 1 10 TRP HB3 2.710 . 3.620 3.714 3.638 3.787 0.167 10 0 "[ . 1 . 2]" 1
127 1 10 TRP H 1 10 TRP HD1 3.465 . 5.130 3.324 2.394 4.940 . 0 0 "[ . 1 . 2]" 1
128 1 10 TRP H 1 10 TRP HE3 3.525 . 5.250 4.760 1.776 5.309 0.059 6 0 "[ . 1 . 2]" 1
129 1 10 TRP H 1 11 ILE H 2.255 . 2.710 2.148 1.896 2.372 . 0 0 "[ . 1 . 2]" 1
130 1 10 TRP HA 1 10 TRP QB 2.215 . 2.630 2.343 2.312 2.379 . 0 0 "[ . 1 . 2]" 1
131 1 10 TRP HA 1 10 TRP HE3 2.895 . 3.990 3.100 2.626 4.235 0.245 11 0 "[ . 1 . 2]" 1
132 1 10 TRP QB 1 10 TRP HE3 2.710 . 3.620 2.626 2.488 2.746 . 0 0 "[ . 1 . 2]" 1
133 1 10 TRP QB 1 11 ILE H 2.475 . 3.150 2.399 2.208 2.641 . 0 0 "[ . 1 . 2]" 1
134 1 10 TRP QB 1 11 ILE MG 4.045 . 6.290 2.936 2.682 3.361 . 0 0 "[ . 1 . 2]" 1
135 1 10 TRP HB2 1 11 ILE H 2.795 . 3.790 2.438 2.233 2.693 . 0 0 "[ . 1 . 2]" 1
136 1 10 TRP HB3 1 11 ILE H 2.795 . 3.790 3.580 3.476 3.807 0.017 18 0 "[ . 1 . 2]" 1
137 1 10 TRP HD1 1 11 ILE MG 4.160 . 6.520 5.169 4.528 5.931 . 0 0 "[ . 1 . 2]" 1
138 1 11 ILE H 1 11 ILE HB 2.705 . 3.610 3.556 2.946 3.758 0.148 15 0 "[ . 1 . 2]" 1
139 1 11 ILE H 1 11 ILE MD 4.065 . 6.330 3.611 1.795 4.805 0.005 4 0 "[ . 1 . 2]" 1
140 1 11 ILE H 1 11 ILE MG 3.165 . 4.530 2.770 1.966 3.378 . 0 0 "[ . 1 . 2]" 1
141 1 11 ILE HA 1 12 PRO QD 2.695 . 3.590 1.941 1.855 2.078 . 0 0 "[ . 1 . 2]" 1
142 1 11 ILE MG 1 12 PRO QD 3.295 . 4.790 3.223 2.591 3.878 . 0 0 "[ . 1 . 2]" 1
143 1 12 PRO HA 1 13 CYS H 2.225 . 2.650 2.208 2.145 2.335 . 0 0 "[ . 1 . 2]" 1
144 1 12 PRO HB2 1 13 CYS H 2.595 . 3.390 3.329 2.681 3.508 0.118 18 0 "[ . 1 . 2]" 1
145 1 12 PRO HB3 1 13 CYS H 2.595 . 3.390 3.340 3.171 3.520 0.130 20 0 "[ . 1 . 2]" 1
146 1 13 CYS H 1 13 CYS HB2 2.705 . 3.610 2.642 2.549 2.885 . 0 0 "[ . 1 . 2]" 1
147 1 13 CYS H 1 13 CYS QB 2.270 . 2.740 2.570 2.494 2.746 0.006 19 0 "[ . 1 . 2]" 1
148 1 13 CYS H 1 13 CYS HB3 2.705 . 3.610 3.529 3.445 3.548 . 0 0 "[ . 1 . 2]" 1
149 1 13 CYS H 1 27 CYS QB 3.120 . 4.440 4.550 4.452 4.619 0.179 10 0 "[ . 1 . 2]" 1
150 1 13 CYS HB2 1 16 SER H 2.750 . 3.700 3.022 2.731 3.331 . 0 0 "[ . 1 . 2]" 1
151 1 13 CYS HB2 1 16 SER QB 4.090 . 6.380 3.211 1.837 4.020 . 0 0 "[ . 1 . 2]" 1
152 1 13 CYS HB3 1 16 SER H 2.750 . 3.700 3.737 3.623 3.803 0.103 12 0 "[ . 1 . 2]" 1
153 1 13 CYS HB3 1 16 SER QB 4.090 . 6.380 4.623 3.388 5.330 . 0 0 "[ . 1 . 2]" 1
154 1 15 SER H 1 15 SER HB2 2.735 . 3.670 2.790 2.337 3.592 . 0 0 "[ . 1 . 2]" 1
155 1 15 SER H 1 15 SER QB 2.480 . 3.160 2.501 2.209 2.668 . 0 0 "[ . 1 . 2]" 1
156 1 15 SER H 1 15 SER HB3 2.735 . 3.670 3.322 2.564 3.662 . 0 0 "[ . 1 . 2]" 1
157 1 15 SER HA 1 16 SER H 2.595 . 3.390 3.238 2.886 3.396 0.006 7 0 "[ . 1 . 2]" 1
158 1 15 SER HA 1 18 ILE MD 3.185 . 4.570 2.699 1.802 4.537 . 0 0 "[ . 1 . 2]" 1
159 1 15 SER QB 1 18 ILE MD 3.175 . 4.550 2.883 1.800 4.541 . 10 0 "[ . 1 . 2]" 1
160 1 15 SER QB 1 20 CYS QB 3.370 . 4.940 3.352 2.936 4.580 . 0 0 "[ . 1 . 2]" 1
161 1 15 SER HB2 1 18 ILE MD 3.585 . 5.370 3.854 2.262 5.387 0.017 4 0 "[ . 1 . 2]" 1
162 1 15 SER HB3 1 18 ILE MD 3.585 . 5.370 3.120 1.811 5.315 . 0 0 "[ . 1 . 2]" 1
163 1 16 SER H 1 16 SER QB 2.900 . 4.000 2.546 2.412 2.711 . 0 0 "[ . 1 . 2]" 1
164 1 16 SER H 1 17 ALA H 2.520 . 3.240 2.678 2.555 2.774 . 0 0 "[ . 1 . 2]" 1
165 1 16 SER H 1 17 ALA MB 4.160 . 6.520 4.296 4.176 4.430 . 0 0 "[ . 1 . 2]" 1
166 1 16 SER HA 1 20 CYS H 2.625 . 3.450 2.668 1.958 2.984 . 0 0 "[ . 1 . 2]" 1
167 1 16 SER QB 1 17 ALA H 3.285 . 4.770 2.858 2.555 3.519 . 0 0 "[ . 1 . 2]" 1
168 1 16 SER QB 1 18 ILE MD 4.370 . 6.940 5.956 4.962 6.603 . 0 0 "[ . 1 . 2]" 1
169 1 16 SER QB 1 18 ILE QG 4.530 . 7.260 5.959 5.006 6.939 . 0 0 "[ . 1 . 2]" 1
170 1 16 SER QB 1 20 CYS QB 3.980 . 6.160 3.493 2.704 3.951 . 0 0 "[ . 1 . 2]" 1
171 1 17 ALA H 1 17 ALA MB 2.825 . 3.850 2.142 2.014 2.239 . 0 0 "[ . 1 . 2]" 1
172 1 17 ALA H 1 18 ILE H 2.550 . 3.300 2.628 2.499 2.826 . 0 0 "[ . 1 . 2]" 1
173 1 17 ALA HA 1 18 ILE H 2.580 . 3.360 3.448 3.416 3.503 0.143 13 0 "[ . 1 . 2]" 1
174 1 18 ILE H 1 18 ILE HB 2.670 . 3.540 2.846 2.354 3.677 0.137 2 0 "[ . 1 . 2]" 1
175 1 18 ILE H 1 18 ILE MD 3.015 . 4.230 3.049 1.798 3.809 0.002 9 0 "[ . 1 . 2]" 1
176 1 18 ILE H 1 18 ILE QG 3.270 . 4.740 2.485 1.931 3.407 . 0 0 "[ . 1 . 2]" 1
177 1 18 ILE H 1 18 ILE MG 3.260 . 4.720 3.348 2.071 3.805 . 0 0 "[ . 1 . 2]" 1
178 1 18 ILE H 1 19 GLY H 2.455 . 3.110 2.503 2.365 3.088 . 0 0 "[ . 1 . 2]" 1
179 1 18 ILE H 1 20 CYS H 2.690 . 3.580 3.600 3.442 3.653 0.073 20 0 "[ . 1 . 2]" 1
180 1 18 ILE HA 1 18 ILE HB 2.350 . 2.900 2.825 2.348 3.010 0.110 11 0 "[ . 1 . 2]" 1
181 1 18 ILE HA 1 19 GLY H 2.565 . 3.330 3.360 2.812 3.507 0.177 7 0 "[ . 1 . 2]" 1
182 1 18 ILE MD 1 19 GLY H 3.310 . 4.820 4.465 3.681 4.936 0.116 20 0 "[ . 1 . 2]" 1
183 1 18 ILE QG 1 19 GLY H 4.090 . 6.380 3.941 2.909 4.649 . 0 0 "[ . 1 . 2]" 1
184 1 18 ILE MG 1 29 ARG HE 4.160 . 6.520 4.274 1.818 6.616 0.096 20 0 "[ . 1 . 2]" 1
185 1 19 GLY H 1 19 GLY QA 2.190 . 2.580 2.432 2.198 2.495 . 0 0 "[ . 1 . 2]" 1
186 1 19 GLY H 1 20 CYS H 2.565 . 3.330 2.021 1.785 2.667 0.015 11 0 "[ . 1 . 2]" 1
187 1 19 GLY QA 1 29 ARG QD 3.095 . 4.390 3.538 3.202 4.370 . 0 0 "[ . 1 . 2]" 1
188 1 19 GLY QA 1 29 ARG QG 3.000 . 4.200 2.895 2.373 3.522 . 0 0 "[ . 1 . 2]" 1
189 1 20 CYS H 1 20 CYS HB2 2.690 . 3.580 2.558 2.482 2.636 . 0 0 "[ . 1 . 2]" 1
190 1 20 CYS H 1 20 CYS QB 2.290 . 2.780 2.509 2.440 2.574 . 0 0 "[ . 1 . 2]" 1
191 1 20 CYS H 1 20 CYS HB3 2.690 . 3.580 3.629 3.591 3.709 0.129 5 0 "[ . 1 . 2]" 1
192 1 20 CYS H 1 29 ARG QG 3.265 . 4.730 4.034 2.836 4.772 0.042 7 0 "[ . 1 . 2]" 1
193 1 20 CYS HA 1 20 CYS QB 2.215 . 2.630 2.338 2.306 2.382 . 0 0 "[ . 1 . 2]" 1
194 1 20 CYS HA 1 21 SER H 2.145 . 2.490 2.154 2.101 2.241 . 0 0 "[ . 1 . 2]" 1
195 1 20 CYS HA 1 28 TYR H 3.010 . 4.220 4.225 4.112 4.295 0.075 14 0 "[ . 1 . 2]" 1
196 1 20 CYS HA 1 29 ARG HB2 3.060 . 4.320 2.714 2.391 3.260 . 0 0 "[ . 1 . 2]" 1
197 1 20 CYS HA 1 29 ARG QB 2.630 . 3.460 2.686 2.375 3.185 . 0 0 "[ . 1 . 2]" 1
198 1 20 CYS HA 1 29 ARG HB3 3.060 . 4.320 4.326 4.060 4.474 0.154 3 0 "[ . 1 . 2]" 1
199 1 20 CYS QB 1 21 SER H 2.405 . 3.010 2.915 2.723 3.035 0.025 20 0 "[ . 1 . 2]" 1
200 1 20 CYS QB 1 27 CYS QB 2.350 . 2.900 1.881 1.774 2.476 0.026 3 0 "[ . 1 . 2]" 1
201 1 20 CYS QB 1 28 TYR H 3.165 . 4.530 3.802 3.588 4.216 . 0 0 "[ . 1 . 2]" 1
202 1 20 CYS HB2 1 21 SER H 2.815 . 3.830 3.973 3.892 4.032 0.202 20 0 "[ . 1 . 2]" 1
203 1 20 CYS HB3 1 21 SER H 2.815 . 3.830 3.000 2.780 3.142 . 0 0 "[ . 1 . 2]" 1
204 1 21 SER H 1 27 CYS HA 2.935 . 4.070 3.875 3.536 4.093 0.023 17 0 "[ . 1 . 2]" 1
205 1 21 SER H 1 28 TYR H 2.365 . 2.930 2.714 2.519 2.922 . 0 0 "[ . 1 . 2]" 1
206 1 21 SER H 1 28 TYR HB2 3.525 . 5.250 4.014 3.876 4.255 . 0 0 "[ . 1 . 2]" 1
207 1 21 SER H 1 28 TYR QB 3.205 . 4.610 3.852 3.736 4.055 . 0 0 "[ . 1 . 2]" 1
208 1 21 SER H 1 28 TYR HB3 3.525 . 5.250 4.964 4.893 5.106 . 0 0 "[ . 1 . 2]" 1
209 1 21 SER H 1 29 ARG QB 3.570 . 5.340 4.292 3.991 4.666 . 0 0 "[ . 1 . 2]" 1
210 1 21 SER QB 1 22 CYS H 3.070 . 4.340 3.154 3.014 3.642 . 0 0 "[ . 1 . 2]" 1
211 1 21 SER QB 1 23 LYS H 3.690 . 5.580 5.197 4.938 5.519 . 0 0 "[ . 1 . 2]" 1
212 1 22 CYS H 1 22 CYS QB 2.790 . 3.780 2.248 2.215 2.267 . 0 0 "[ . 1 . 2]" 1
213 1 22 CYS HA 1 23 LYS H 2.160 . 2.520 2.142 2.127 2.182 . 0 0 "[ . 1 . 2]" 1
214 1 22 CYS HA 1 26 VAL H 3.060 . 4.320 4.193 3.969 4.381 0.061 15 0 "[ . 1 . 2]" 1
215 1 22 CYS QB 1 23 LYS H 3.220 . 4.640 3.803 3.644 3.888 . 0 0 "[ . 1 . 2]" 1
216 1 23 LYS H 1 23 LYS QB 2.925 . 4.050 2.779 2.573 3.396 . 0 0 "[ . 1 . 2]" 1
217 1 23 LYS H 1 23 LYS QD 3.280 . 4.760 4.502 4.227 4.791 0.031 19 0 "[ . 1 . 2]" 1
218 1 23 LYS H 1 23 LYS QG 4.090 . 6.380 3.406 2.443 4.103 . 0 0 "[ . 1 . 2]" 1
219 1 23 LYS H 1 26 VAL H 2.520 . 3.240 2.668 2.530 2.846 . 0 0 "[ . 1 . 2]" 1
220 1 23 LYS H 1 26 VAL HB 2.935 . 4.070 4.064 3.947 4.143 0.073 14 0 "[ . 1 . 2]" 1
221 1 23 LYS H 1 27 CYS H 2.985 . 4.170 4.306 4.247 4.362 0.192 14 0 "[ . 1 . 2]" 1
222 1 23 LYS H 1 28 TYR HD1 3.420 . 5.040 3.309 3.090 3.707 . 0 0 "[ . 1 . 2]" 1
223 1 23 LYS HA 1 24 SER H 2.285 . 2.770 2.148 2.133 2.166 . 0 0 "[ . 1 . 2]" 1
224 1 23 LYS QB 1 24 SER H 3.565 . 5.330 3.554 3.122 3.867 . 0 0 "[ . 1 . 2]" 1
225 1 23 LYS QD 1 28 TYR HD2 3.260 . 4.720 4.110 3.920 4.497 . 0 0 "[ . 1 . 2]" 1
226 1 23 LYS HD2 1 28 TYR HD2 3.650 . 5.500 4.855 4.120 5.511 0.011 12 0 "[ . 1 . 2]" 1
227 1 23 LYS HD3 1 28 TYR HD2 3.650 . 5.500 4.790 4.073 5.535 0.035 9 0 "[ . 1 . 2]" 1
228 1 23 LYS QG 1 24 SER H 4.090 . 6.380 3.689 2.787 4.433 . 0 0 "[ . 1 . 2]" 1
229 1 23 LYS QG 1 28 TYR HD2 4.090 . 6.380 5.883 4.936 6.409 0.029 2 0 "[ . 1 . 2]" 1
230 1 24 SER H 1 24 SER QB 2.500 . 3.200 3.271 2.928 3.357 0.157 4 0 "[ . 1 . 2]" 1
231 1 24 SER H 1 25 LYS H 2.860 . 3.920 2.684 2.598 2.784 . 0 0 "[ . 1 . 2]" 1
232 1 24 SER QB 1 25 LYS H 2.800 . 3.800 3.847 3.808 3.976 0.176 16 0 "[ . 1 . 2]" 1
233 1 24 SER QB 1 25 LYS QG 3.970 . 6.140 4.766 3.555 5.834 . 0 0 "[ . 1 . 2]" 1
234 1 25 LYS H 1 25 LYS HA 2.225 . 2.650 2.254 2.227 2.270 . 0 0 "[ . 1 . 2]" 1
235 1 25 LYS H 1 25 LYS HB2 2.955 . 4.110 3.550 3.172 4.019 . 0 0 "[ . 1 . 2]" 1
236 1 25 LYS H 1 25 LYS QB 2.690 . 3.580 3.221 2.970 3.414 . 0 0 "[ . 1 . 2]" 1
237 1 25 LYS H 1 25 LYS HB3 2.955 . 4.110 3.887 3.076 4.127 0.017 5 0 "[ . 1 . 2]" 1
238 1 25 LYS H 1 25 LYS QG 3.505 . 5.210 3.376 2.824 4.287 . 0 0 "[ . 1 . 2]" 1
239 1 25 LYS H 1 26 VAL H 2.565 . 3.330 2.587 2.541 2.693 . 0 0 "[ . 1 . 2]" 1
240 1 25 LYS HA 1 26 VAL H 2.595 . 3.390 3.062 2.954 3.179 . 0 0 "[ . 1 . 2]" 1
241 1 25 LYS QB 1 26 VAL H 2.790 . 3.780 3.723 3.559 3.969 0.189 18 0 "[ . 1 . 2]" 1
242 1 25 LYS HB2 1 26 VAL H 3.090 . 4.380 4.121 3.865 4.531 0.151 13 0 "[ . 1 . 2]" 1
243 1 25 LYS HB3 1 26 VAL H 3.090 . 4.380 4.288 3.855 4.501 0.121 18 0 "[ . 1 . 2]" 1
244 1 25 LYS QG 1 26 VAL H 4.090 . 6.380 4.386 3.213 4.921 . 0 0 "[ . 1 . 2]" 1
245 1 26 VAL H 1 26 VAL HB 2.315 . 2.830 2.836 2.787 2.867 0.037 17 0 "[ . 1 . 2]" 1
246 1 26 VAL H 1 26 VAL QG 3.075 . 4.350 2.673 2.579 2.883 . 0 0 "[ . 1 . 2]" 1
247 1 26 VAL H 1 28 TYR HD1 3.650 . 5.500 4.467 4.312 4.575 . 0 0 "[ . 1 . 2]" 1
248 1 26 VAL HA 1 27 CYS H 2.180 . 2.560 2.184 2.158 2.202 . 0 0 "[ . 1 . 2]" 1
249 1 26 VAL HB 1 27 CYS H 2.955 . 4.110 4.055 4.009 4.088 . 0 0 "[ . 1 . 2]" 1
250 1 26 VAL QG 1 27 CYS H 2.980 . 4.160 2.409 2.257 2.652 . 0 0 "[ . 1 . 2]" 1
251 1 26 VAL QG 1 28 TYR HD1 3.395 . 4.990 3.267 3.018 3.449 . 0 0 "[ . 1 . 2]" 1
252 1 26 VAL QG 1 28 TYR HD2 3.395 . 4.990 4.924 4.848 4.996 0.006 7 0 "[ . 1 . 2]" 1
253 1 26 VAL MG1 1 28 TYR HD1 3.495 . 5.190 3.324 3.053 3.519 . 0 0 "[ . 1 . 2]" 1
254 1 26 VAL MG1 1 28 TYR HD2 4.265 . 6.730 5.052 4.962 5.137 . 0 0 "[ . 1 . 2]" 1
255 1 26 VAL MG2 1 28 TYR HD1 3.495 . 5.190 4.813 4.664 4.978 . 0 0 "[ . 1 . 2]" 1
256 1 26 VAL MG2 1 28 TYR HD2 4.265 . 6.730 6.817 6.796 6.844 0.114 16 0 "[ . 1 . 2]" 1
257 1 27 CYS H 1 27 CYS QB 2.195 . 2.590 2.368 2.335 2.500 . 0 0 "[ . 1 . 2]" 1
258 1 27 CYS HA 1 27 CYS HB2 2.410 . 3.020 3.023 3.019 3.027 0.007 14 0 "[ . 1 . 2]" 1
259 1 27 CYS HA 1 27 CYS QB 2.215 . 2.630 2.394 2.330 2.411 . 0 0 "[ . 1 . 2]" 1
260 1 27 CYS HA 1 27 CYS HB3 2.410 . 3.020 2.510 2.423 2.535 . 0 0 "[ . 1 . 2]" 1
261 1 27 CYS HA 1 28 TYR H 2.100 . 2.400 2.135 2.114 2.175 . 0 0 "[ . 1 . 2]" 1
262 1 28 TYR H 1 28 TYR HB2 2.705 . 3.610 2.528 2.482 2.566 . 0 0 "[ . 1 . 2]" 1
263 1 28 TYR H 1 28 TYR QB 2.195 . 2.590 2.487 2.444 2.522 . 0 0 "[ . 1 . 2]" 1
264 1 28 TYR H 1 28 TYR HB3 2.705 . 3.610 3.694 3.670 3.711 0.101 9 0 "[ . 1 . 2]" 1
265 1 28 TYR H 1 29 ARG H 3.080 . 4.360 4.456 4.432 4.478 0.118 4 0 "[ . 1 . 2]" 1
266 1 28 TYR HA 1 28 TYR HB2 2.410 . 3.020 3.015 3.012 3.020 0.000 16 0 "[ . 1 . 2]" 1
267 1 28 TYR HA 1 28 TYR QB 2.200 . 2.600 2.379 2.362 2.407 . 0 0 "[ . 1 . 2]" 1
268 1 28 TYR HA 1 28 TYR HB3 2.410 . 3.020 2.491 2.468 2.531 . 0 0 "[ . 1 . 2]" 1
269 1 28 TYR HA 1 28 TYR HD2 2.710 . 3.620 3.710 3.677 3.739 0.119 17 0 "[ . 1 . 2]" 1
270 1 28 TYR HA 1 29 ARG H 2.130 . 2.460 2.271 2.243 2.293 . 0 0 "[ . 1 . 2]" 1
271 1 28 TYR QB 1 28 TYR HD2 2.235 . 2.670 2.226 2.212 2.237 . 0 0 "[ . 1 . 2]" 1
272 1 28 TYR QB 1 29 ARG H 2.325 . 2.850 2.575 2.488 2.629 . 0 0 "[ . 1 . 2]" 1
273 1 28 TYR HB2 1 29 ARG H 2.750 . 3.700 3.792 3.738 3.842 0.142 2 0 "[ . 1 . 2]" 1
274 1 28 TYR HB3 1 29 ARG H 2.690 . 3.580 2.620 2.523 2.681 . 0 0 "[ . 1 . 2]" 1
275 1 28 TYR HD2 1 29 ARG H 3.260 . 4.720 4.179 3.922 4.314 . 0 0 "[ . 1 . 2]" 1
276 1 29 ARG H 1 29 ARG HB2 2.610 . 3.420 3.143 2.696 3.333 . 0 0 "[ . 1 . 2]" 1
277 1 29 ARG H 1 29 ARG QB 2.315 . 2.830 2.588 2.524 2.669 . 0 0 "[ . 1 . 2]" 1
278 1 29 ARG H 1 29 ARG HB3 2.610 . 3.420 2.775 2.627 3.096 . 0 0 "[ . 1 . 2]" 1
279 1 29 ARG H 1 29 ARG HG2 3.325 . 4.850 4.475 4.314 4.623 . 0 0 "[ . 1 . 2]" 1
280 1 29 ARG H 1 29 ARG QG 2.955 . 4.110 4.099 4.006 4.161 0.051 9 0 "[ . 1 . 2]" 1
281 1 29 ARG H 1 29 ARG HG3 3.325 . 4.850 4.763 4.693 4.886 0.036 3 0 "[ . 1 . 2]" 1
282 1 29 ARG QB 1 29 ARG HE 2.930 . 4.060 2.803 1.857 4.037 . 0 0 "[ . 1 . 2]" 1
283 1 29 ARG HB2 1 29 ARG HE 3.245 . 4.690 3.114 1.878 4.590 . 0 0 "[ . 1 . 2]" 1
284 1 29 ARG HB3 1 29 ARG HE 3.245 . 4.690 3.464 2.231 4.770 0.080 13 0 "[ . 1 . 2]" 1
285 1 29 ARG HG2 1 30 ASN H 3.650 . 5.500 3.511 3.179 4.172 . 0 0 "[ . 1 . 2]" 1
286 1 29 ARG HG3 1 30 ASN H 3.650 . 5.500 3.745 3.374 5.212 . 0 0 "[ . 1 . 2]" 1
287 1 30 ASN H 1 30 ASN HA 2.350 . 2.900 2.267 2.250 2.274 . 0 0 "[ . 1 . 2]" 1
288 1 30 ASN H 1 30 ASN QB 2.675 . 3.550 3.036 2.915 3.323 . 0 0 "[ . 1 . 2]" 1
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