NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
632479 |
6hnh   |
34316 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6hnh
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 158
_Distance_constraint_stats_list.Viol_count 367
_Distance_constraint_stats_list.Viol_total 710.713
_Distance_constraint_stats_list.Viol_max 0.432
_Distance_constraint_stats_list.Viol_rms 0.0433
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0112
_Distance_constraint_stats_list.Viol_average_violations_only 0.0968
_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 LYS 2.801 0.227 1 0 "[ . 1 . 2]"
1 2 LEU 0.621 0.214 18 0 "[ . 1 . 2]"
1 3 LEU 8.009 0.227 1 0 "[ . 1 . 2]"
1 4 LYS 11.941 0.223 10 0 "[ . 1 . 2]"
1 5 LEU 9.265 0.354 10 0 "[ . 1 . 2]"
1 6 LEU 13.037 0.432 19 0 "[ . 1 . 2]"
1 7 LYS 3.465 0.305 20 0 "[ . 1 . 2]"
1 8 LYS 6.228 0.305 20 0 "[ . 1 . 2]"
1 9 VAL 1.662 0.131 17 0 "[ . 1 . 2]"
1 10 VAL 0.852 0.106 12 0 "[ . 1 . 2]"
1 11 GLY 0.576 0.070 10 0 "[ . 1 . 2]"
1 12 ALA 0.294 0.094 17 0 "[ . 1 . 2]"
1 13 LEU 4.104 0.144 7 0 "[ . 1 . 2]"
1 14 GLY 2.163 0.144 7 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 LYS HA 1 3 LEU H . . 5.500 5.626 5.220 5.727 0.227 1 0 "[ . 1 . 2]" 1
2 1 2 LEU HA 1 2 LEU MD1 . . 4.080 2.113 2.076 2.136 . 0 0 "[ . 1 . 2]" 1
3 1 2 LEU HA 1 2 LEU QD . . 3.490 2.103 2.068 2.126 . 0 0 "[ . 1 . 2]" 1
4 1 2 LEU HA 1 2 LEU HG . . 3.700 3.152 3.080 3.300 . 0 0 "[ . 1 . 2]" 1
5 1 2 LEU HA 1 3 LEU H . . 3.500 2.215 2.112 3.547 0.047 18 0 "[ . 1 . 2]" 1
6 1 2 LEU HA 1 4 LYS H . . 5.180 3.412 3.262 4.779 . 0 0 "[ . 1 . 2]" 1
7 1 2 LEU HA 1 5 LEU H . . 5.500 5.500 5.277 5.714 0.214 18 0 "[ . 1 . 2]" 1
8 1 2 LEU QD 1 4 LYS H . . 5.440 2.436 2.176 4.064 . 0 0 "[ . 1 . 2]" 1
9 1 2 LEU HG 1 4 LYS H . . 3.660 3.333 2.635 3.840 0.180 18 0 "[ . 1 . 2]" 1
10 1 3 LEU H 1 3 LEU QB . . 2.870 2.675 2.508 2.720 . 0 0 "[ . 1 . 2]" 1
11 1 3 LEU H 1 4 LYS H . . 3.680 1.835 1.691 2.042 . 0 0 "[ . 1 . 2]" 1
12 1 3 LEU H 1 4 LYS QB . . 3.370 3.388 3.323 3.493 0.123 19 0 "[ . 1 . 2]" 1
13 1 3 LEU H 1 4 LYS HG3 . . 5.500 5.654 5.626 5.716 0.216 18 0 "[ . 1 . 2]" 1
14 1 3 LEU HA 1 3 LEU MD1 . . 3.930 2.952 2.016 3.879 . 0 0 "[ . 1 . 2]" 1
15 1 3 LEU HA 1 3 LEU QD . . 3.280 2.043 1.985 2.068 . 0 0 "[ . 1 . 2]" 1
16 1 3 LEU HA 1 3 LEU MD2 . . 3.930 2.915 2.045 3.866 . 0 0 "[ . 1 . 2]" 1
17 1 3 LEU HA 1 4 LYS QB . . 4.800 4.856 4.822 4.928 0.128 18 0 "[ . 1 . 2]" 1
18 1 3 LEU HA 1 5 LEU H . . 5.170 3.756 3.633 4.116 . 0 0 "[ . 1 . 2]" 1
19 1 3 LEU HA 1 6 LEU HB2 . . 4.020 2.832 2.328 3.072 . 0 0 "[ . 1 . 2]" 1
20 1 3 LEU HA 1 6 LEU HB3 . . 4.870 4.073 2.892 4.742 . 0 0 "[ . 1 . 2]" 1
21 1 3 LEU HA 1 7 LYS H . . 4.570 4.528 4.156 4.621 0.051 20 0 "[ . 1 . 2]" 1
22 1 3 LEU QD 1 4 LYS H . . 4.690 4.425 3.983 4.461 . 0 0 "[ . 1 . 2]" 1
23 1 3 LEU QD 1 5 LEU H . . 5.440 4.943 4.719 5.161 . 0 0 "[ . 1 . 2]" 1
24 1 3 LEU QD 1 6 LEU H . . 5.440 3.845 3.471 4.152 . 0 0 "[ . 1 . 2]" 1
25 1 3 LEU QD 1 6 LEU HB2 . . 4.050 2.563 2.123 3.016 . 0 0 "[ . 1 . 2]" 1
26 1 3 LEU QD 1 7 LYS H . . 4.890 4.427 3.864 4.849 . 0 0 "[ . 1 . 2]" 1
27 1 3 LEU MD1 1 4 LYS H . . 5.500 5.051 4.665 5.399 . 0 0 "[ . 1 . 2]" 1
28 1 3 LEU MD2 1 4 LYS H . . 5.500 5.003 4.323 5.397 . 0 0 "[ . 1 . 2]" 1
29 1 4 LYS H 1 4 LYS QB . . 3.100 2.171 2.151 2.183 . 0 0 "[ . 1 . 2]" 1
30 1 4 LYS H 1 4 LYS HG3 . . 4.620 4.310 4.265 4.343 . 0 0 "[ . 1 . 2]" 1
31 1 4 LYS H 1 5 LEU H . . 3.500 2.659 2.546 2.696 . 0 0 "[ . 1 . 2]" 1
32 1 4 LYS H 1 5 LEU HA . . 5.500 5.273 5.207 5.314 . 0 0 "[ . 1 . 2]" 1
33 1 4 LYS H 1 6 LEU HB2 . . 4.970 5.077 5.026 5.115 0.145 15 0 "[ . 1 . 2]" 1
34 1 4 LYS HA 1 4 LYS HG2 . . 4.060 2.981 2.922 3.042 . 0 0 "[ . 1 . 2]" 1
35 1 4 LYS HA 1 8 LYS H . . 4.390 4.445 4.391 4.539 0.149 10 0 "[ . 1 . 2]" 1
36 1 4 LYS QB 1 5 LEU H . . 3.320 2.648 2.450 2.743 . 0 0 "[ . 1 . 2]" 1
37 1 4 LYS QB 1 5 LEU HA . . 3.900 4.078 4.052 4.123 0.223 10 0 "[ . 1 . 2]" 1
38 1 4 LYS QE 1 4 LYS HG3 . . 3.720 2.820 2.382 3.531 . 0 0 "[ . 1 . 2]" 1
39 1 4 LYS HG2 1 5 LEU H . . 4.920 4.113 3.858 4.245 . 0 0 "[ . 1 . 2]" 1
40 1 4 LYS HG2 1 5 LEU HB2 . . 5.500 5.311 4.875 5.614 0.114 10 0 "[ . 1 . 2]" 1
41 1 4 LYS HG3 1 5 LEU H . . 5.290 4.924 4.796 4.988 . 0 0 "[ . 1 . 2]" 1
42 1 5 LEU H 1 5 LEU HB2 . . 3.530 2.522 2.156 2.613 . 0 0 "[ . 1 . 2]" 1
43 1 5 LEU H 1 5 LEU HB3 . . 3.110 2.487 2.387 3.464 0.354 10 0 "[ . 1 . 2]" 1
44 1 5 LEU H 1 5 LEU MD1 . . 5.500 4.106 3.540 4.218 . 0 0 "[ . 1 . 2]" 1
45 1 5 LEU H 1 5 LEU QD . . 4.220 3.687 3.245 3.736 . 0 0 "[ . 1 . 2]" 1
46 1 5 LEU H 1 5 LEU MD2 . . 5.500 4.177 3.771 4.235 . 0 0 "[ . 1 . 2]" 1
47 1 5 LEU H 1 6 LEU HA . . 5.500 5.141 4.999 5.252 . 0 0 "[ . 1 . 2]" 1
48 1 5 LEU H 1 8 LYS H . . 5.030 4.890 4.742 5.036 0.006 10 0 "[ . 1 . 2]" 1
49 1 5 LEU HA 1 5 LEU MD1 . . 3.860 2.348 2.064 3.833 . 0 0 "[ . 1 . 2]" 1
50 1 5 LEU HA 1 5 LEU QD . . 3.250 2.061 2.004 2.090 . 0 0 "[ . 1 . 2]" 1
51 1 5 LEU HA 1 5 LEU MD2 . . 3.860 3.494 2.011 3.864 0.004 6 0 "[ . 1 . 2]" 1
52 1 5 LEU HA 1 5 LEU HG . . 3.630 3.230 2.852 3.698 0.068 18 0 "[ . 1 . 2]" 1
53 1 5 LEU HA 1 7 LYS H . . 5.500 4.437 4.256 4.738 . 0 0 "[ . 1 . 2]" 1
54 1 5 LEU HA 1 8 LYS H . . 4.350 3.502 3.290 3.714 . 0 0 "[ . 1 . 2]" 1
55 1 5 LEU HA 1 8 LYS QB . . 3.650 2.782 2.340 3.217 . 0 0 "[ . 1 . 2]" 1
56 1 5 LEU HA 1 9 VAL MG2 . . 5.390 4.249 4.004 4.435 . 0 0 "[ . 1 . 2]" 1
57 1 5 LEU HB2 1 5 LEU QD . . 3.000 2.174 2.110 2.452 . 0 0 "[ . 1 . 2]" 1
58 1 5 LEU HB2 1 5 LEU MD2 . . 3.670 2.431 2.341 3.236 . 0 0 "[ . 1 . 2]" 1
59 1 5 LEU HB2 1 6 LEU H . . 4.570 3.923 3.046 4.061 . 0 0 "[ . 1 . 2]" 1
60 1 5 LEU HB2 1 9 VAL MG2 . . 5.380 5.211 4.843 5.404 0.024 20 0 "[ . 1 . 2]" 1
61 1 5 LEU HB3 1 6 LEU HA . . 3.990 4.213 4.140 4.246 0.256 20 0 "[ . 1 . 2]" 1
62 1 5 LEU HB3 1 6 LEU MD2 . . 4.610 3.499 2.439 4.667 0.057 12 0 "[ . 1 . 2]" 1
63 1 5 LEU QD 1 6 LEU H . . 4.540 3.920 3.298 4.316 . 0 0 "[ . 1 . 2]" 1
64 1 5 LEU QD 1 8 LYS H . . 5.200 4.265 3.839 4.980 . 0 0 "[ . 1 . 2]" 1
65 1 5 LEU QD 1 8 LYS QB . . 3.970 2.826 2.398 3.620 . 0 0 "[ . 1 . 2]" 1
66 1 6 LEU H 1 6 LEU HB3 . . 2.980 3.118 2.658 3.412 0.432 19 0 "[ . 1 . 2]" 1
67 1 6 LEU H 1 6 LEU MD2 . . 5.500 3.008 2.255 3.847 . 0 0 "[ . 1 . 2]" 1
68 1 6 LEU H 1 8 LYS QB . . 5.140 4.880 4.578 5.185 0.045 19 0 "[ . 1 . 2]" 1
69 1 6 LEU H 1 9 VAL MG2 . . 5.500 4.802 4.608 4.993 . 0 0 "[ . 1 . 2]" 1
70 1 6 LEU HA 1 6 LEU MD1 . . 3.480 2.222 1.936 2.802 . 0 0 "[ . 1 . 2]" 1
71 1 6 LEU HA 1 6 LEU MD2 . . 3.540 2.329 1.996 3.707 0.167 12 0 "[ . 1 . 2]" 1
72 1 6 LEU HA 1 8 LYS H . . 4.870 4.184 4.061 4.394 . 0 0 "[ . 1 . 2]" 1
73 1 6 LEU HA 1 9 VAL H . . 4.000 3.187 2.958 3.468 . 0 0 "[ . 1 . 2]" 1
74 1 6 LEU HA 1 9 VAL HB . . 3.390 2.586 2.220 2.998 . 0 0 "[ . 1 . 2]" 1
75 1 6 LEU HA 1 9 VAL MG2 . . 3.780 3.140 2.728 3.520 . 0 0 "[ . 1 . 2]" 1
76 1 6 LEU HA 1 10 VAL H . . 4.550 4.002 3.744 4.337 . 0 0 "[ . 1 . 2]" 1
77 1 6 LEU HB3 1 6 LEU MD1 . . 3.620 2.433 2.348 3.240 . 0 0 "[ . 1 . 2]" 1
78 1 6 LEU HB3 1 9 VAL H . . 5.500 5.133 4.828 5.392 . 0 0 "[ . 1 . 2]" 1
79 1 6 LEU HB3 1 10 VAL H . . 5.500 4.978 4.509 5.571 0.071 2 0 "[ . 1 . 2]" 1
80 1 6 LEU HB3 1 10 VAL MG2 . . 4.690 3.858 3.327 4.704 0.014 16 0 "[ . 1 . 2]" 1
81 1 6 LEU MD1 1 8 LYS H . . 5.500 5.280 4.872 5.599 0.099 3 0 "[ . 1 . 2]" 1
82 1 6 LEU MD1 1 10 VAL H . . 5.340 4.028 3.380 5.446 0.106 12 0 "[ . 1 . 2]" 1
83 1 6 LEU MD2 1 9 VAL HB . . 5.190 3.995 3.329 5.078 . 0 0 "[ . 1 . 2]" 1
84 1 6 LEU HG 1 10 VAL MG2 . . 5.000 4.802 4.057 5.051 0.051 20 0 "[ . 1 . 2]" 1
85 1 7 LYS H 1 7 LYS QG . . 4.500 3.506 1.970 4.024 . 0 0 "[ . 1 . 2]" 1
86 1 7 LYS H 1 8 LYS H . . 3.810 2.629 2.585 2.673 . 0 0 "[ . 1 . 2]" 1
87 1 7 LYS H 1 8 LYS QB . . 5.100 4.415 4.328 4.616 . 0 0 "[ . 1 . 2]" 1
88 1 7 LYS HA 1 7 LYS QG . . 3.300 2.679 2.355 3.354 0.054 16 0 "[ . 1 . 2]" 1
89 1 7 LYS HA 1 9 VAL H . . 5.100 4.264 3.943 4.414 . 0 0 "[ . 1 . 2]" 1
90 1 7 LYS HA 1 10 VAL H . . 4.350 3.426 3.115 3.649 . 0 0 "[ . 1 . 2]" 1
91 1 7 LYS HA 1 10 VAL HB . . 3.520 2.625 2.341 2.962 . 0 0 "[ . 1 . 2]" 1
92 1 7 LYS HA 1 10 VAL MG1 . . 5.000 3.963 3.722 4.260 . 0 0 "[ . 1 . 2]" 1
93 1 7 LYS HA 1 10 VAL MG2 . . 3.800 3.436 2.993 3.748 . 0 0 "[ . 1 . 2]" 1
94 1 7 LYS HA 1 11 GLY H . . 4.740 4.098 3.946 4.408 . 0 0 "[ . 1 . 2]" 1
95 1 7 LYS QB 1 8 LYS H . . 3.520 2.886 2.549 3.594 0.074 2 0 "[ . 1 . 2]" 1
96 1 7 LYS QD 1 8 LYS H . . 4.140 4.162 3.372 4.445 0.305 20 0 "[ . 1 . 2]" 1
97 1 8 LYS H 1 8 LYS QB . . 3.020 2.243 2.180 2.373 . 0 0 "[ . 1 . 2]" 1
98 1 8 LYS H 1 8 LYS HG2 . . 4.480 4.197 2.355 4.566 0.086 13 0 "[ . 1 . 2]" 1
99 1 8 LYS H 1 8 LYS HG3 . . 4.480 4.086 2.297 4.505 0.025 18 0 "[ . 1 . 2]" 1
100 1 8 LYS H 1 9 VAL H . . 3.330 2.598 2.515 2.681 . 0 0 "[ . 1 . 2]" 1
101 1 8 LYS H 1 9 VAL HA . . 5.360 5.260 5.191 5.326 . 0 0 "[ . 1 . 2]" 1
102 1 8 LYS H 1 9 VAL HB . . 5.120 4.648 4.531 4.796 . 0 0 "[ . 1 . 2]" 1
103 1 8 LYS H 1 9 VAL MG2 . . 4.830 4.256 4.105 4.551 . 0 0 "[ . 1 . 2]" 1
104 1 8 LYS H 1 10 VAL H . . 4.830 4.143 3.990 4.251 . 0 0 "[ . 1 . 2]" 1
105 1 8 LYS H 1 11 GLY QA . . 5.500 5.528 5.483 5.570 0.070 10 0 "[ . 1 . 2]" 1
106 1 8 LYS HA 1 8 LYS QG . . 3.670 2.560 2.319 3.066 . 0 0 "[ . 1 . 2]" 1
107 1 8 LYS HA 1 10 VAL H . . 5.500 4.554 4.487 4.638 . 0 0 "[ . 1 . 2]" 1
108 1 8 LYS HA 1 12 ALA H . . 5.440 4.454 4.355 4.903 . 0 0 "[ . 1 . 2]" 1
109 1 8 LYS QB 1 9 VAL H . . 3.420 2.823 2.758 2.997 . 0 0 "[ . 1 . 2]" 1
110 1 8 LYS QB 1 9 VAL HA . . 5.500 4.278 4.029 4.387 . 0 0 "[ . 1 . 2]" 1
111 1 8 LYS QB 1 9 VAL MG2 . . 4.580 3.336 3.234 3.484 . 0 0 "[ . 1 . 2]" 1
112 1 8 LYS QB 1 12 ALA H . . 5.500 5.457 5.032 5.594 0.094 17 0 "[ . 1 . 2]" 1
113 1 9 VAL H 1 9 VAL HB . . 3.070 2.287 2.168 2.343 . 0 0 "[ . 1 . 2]" 1
114 1 9 VAL H 1 9 VAL MG2 . . 3.220 2.424 2.336 2.667 . 0 0 "[ . 1 . 2]" 1
115 1 9 VAL H 1 10 VAL H . . 3.390 2.523 2.370 2.614 . 0 0 "[ . 1 . 2]" 1
116 1 9 VAL H 1 11 GLY H . . 4.320 3.702 3.586 3.751 . 0 0 "[ . 1 . 2]" 1
117 1 9 VAL H 1 11 GLY QA . . 5.500 5.265 5.190 5.308 . 0 0 "[ . 1 . 2]" 1
118 1 9 VAL H 1 13 LEU QD . . 5.370 5.362 4.784 5.421 0.051 1 0 "[ . 1 . 2]" 1
119 1 9 VAL HA 1 9 VAL MG1 . . 3.150 2.512 2.470 2.641 . 0 0 "[ . 1 . 2]" 1
120 1 9 VAL HA 1 9 VAL MG2 . . 3.060 2.291 2.227 2.321 . 0 0 "[ . 1 . 2]" 1
121 1 9 VAL HA 1 12 ALA H . . 4.080 3.206 3.113 3.555 . 0 0 "[ . 1 . 2]" 1
122 1 9 VAL HA 1 12 ALA MB . . 3.560 2.690 2.536 3.492 . 0 0 "[ . 1 . 2]" 1
123 1 9 VAL HA 1 13 LEU H . . 4.220 4.211 3.808 4.302 0.082 20 0 "[ . 1 . 2]" 1
124 1 9 VAL HB 1 10 VAL H . . 3.350 2.656 2.590 2.708 . 0 0 "[ . 1 . 2]" 1
125 1 9 VAL HB 1 11 GLY H . . 5.500 4.804 4.698 4.865 . 0 0 "[ . 1 . 2]" 1
126 1 9 VAL HB 1 13 LEU QD . . 5.500 4.200 4.070 4.569 . 0 0 "[ . 1 . 2]" 1
127 1 9 VAL MG1 1 10 VAL H . . 3.790 3.252 3.000 3.352 . 0 0 "[ . 1 . 2]" 1
128 1 9 VAL MG1 1 12 ALA H . . 5.500 4.353 4.192 4.460 . 0 0 "[ . 1 . 2]" 1
129 1 9 VAL MG1 1 13 LEU H . . 5.500 4.086 3.831 4.137 . 0 0 "[ . 1 . 2]" 1
130 1 9 VAL MG2 1 12 ALA H . . 5.500 4.972 4.892 5.185 . 0 0 "[ . 1 . 2]" 1
131 1 9 VAL MG2 1 13 LEU HG . . 5.500 5.119 4.524 5.631 0.131 17 0 "[ . 1 . 2]" 1
132 1 10 VAL H 1 10 VAL HB . . 3.150 2.323 2.291 2.401 . 0 0 "[ . 1 . 2]" 1
133 1 10 VAL H 1 10 VAL MG1 . . 4.340 3.722 3.709 3.743 . 0 0 "[ . 1 . 2]" 1
134 1 10 VAL H 1 10 VAL MG2 . . 3.190 2.269 2.170 2.328 . 0 0 "[ . 1 . 2]" 1
135 1 10 VAL H 1 11 GLY H . . 3.450 2.561 2.531 2.608 . 0 0 "[ . 1 . 2]" 1
136 1 10 VAL H 1 11 GLY QA . . 5.010 4.463 4.422 4.501 . 0 0 "[ . 1 . 2]" 1
137 1 10 VAL HA 1 10 VAL MG1 . . 3.380 2.502 2.443 2.520 . 0 0 "[ . 1 . 2]" 1
138 1 10 VAL HA 1 10 VAL MG2 . . 3.280 2.305 2.282 2.333 . 0 0 "[ . 1 . 2]" 1
139 1 10 VAL HA 1 13 LEU H . . 4.520 3.285 3.164 3.769 . 0 0 "[ . 1 . 2]" 1
140 1 10 VAL HA 1 13 LEU QD . . 4.020 2.607 2.270 4.093 0.073 15 0 "[ . 1 . 2]" 1
141 1 10 VAL HB 1 11 GLY H . . 3.690 2.953 2.899 3.151 . 0 0 "[ . 1 . 2]" 1
142 1 10 VAL MG1 1 11 GLY H . . 4.440 3.592 3.515 3.772 . 0 0 "[ . 1 . 2]" 1
143 1 10 VAL MG1 1 11 GLY QA . . 4.440 3.443 3.376 3.574 . 0 0 "[ . 1 . 2]" 1
144 1 10 VAL MG1 1 12 ALA H . . 5.500 4.921 4.686 4.999 . 0 0 "[ . 1 . 2]" 1
145 1 10 VAL MG1 1 14 GLY QA . . 5.330 4.602 2.795 4.901 . 0 0 "[ . 1 . 2]" 1
146 1 10 VAL MG2 1 11 GLY H . . 5.270 4.065 3.999 4.107 . 0 0 "[ . 1 . 2]" 1
147 1 10 VAL MG2 1 11 GLY QA . . 5.090 5.048 5.026 5.067 . 0 0 "[ . 1 . 2]" 1
148 1 10 VAL MG2 1 12 ALA H . . 5.500 5.264 5.061 5.330 . 0 0 "[ . 1 . 2]" 1
149 1 11 GLY H 1 11 GLY QA . . 2.770 2.214 2.203 2.250 . 0 0 "[ . 1 . 2]" 1
150 1 11 GLY H 1 12 ALA H . . 3.360 2.550 2.444 2.634 . 0 0 "[ . 1 . 2]" 1
151 1 11 GLY H 1 12 ALA MB . . 4.640 4.209 4.041 4.254 . 0 0 "[ . 1 . 2]" 1
152 1 11 GLY QA 1 12 ALA H . . 3.420 2.891 2.850 2.993 . 0 0 "[ . 1 . 2]" 1
153 1 11 GLY QA 1 12 ALA MB . . 5.010 4.102 3.748 4.160 . 0 0 "[ . 1 . 2]" 1
154 1 12 ALA H 1 12 ALA MB . . 3.140 2.275 2.215 2.639 . 0 0 "[ . 1 . 2]" 1
155 1 12 ALA H 1 13 LEU QD . . 5.500 4.314 3.292 4.765 . 0 0 "[ . 1 . 2]" 1
156 1 12 ALA MB 1 13 LEU H . . 3.570 2.821 2.735 3.462 . 0 0 "[ . 1 . 2]" 1
157 1 13 LEU HA 1 13 LEU QD . . 3.290 2.261 2.032 3.403 0.113 15 0 "[ . 1 . 2]" 1
158 1 13 LEU QD 1 14 GLY H . . 4.210 4.171 3.051 4.354 0.144 7 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Tuesday, May 21, 2024 3:08:53 AM GMT (wattos1)