NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
411344 |
2ap8   |
6775 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ap8
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 169
_Distance_constraint_stats_list.Viol_count 568
_Distance_constraint_stats_list.Viol_total 1143.159
_Distance_constraint_stats_list.Viol_max 0.354
_Distance_constraint_stats_list.Viol_rms 0.0524
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0169
_Distance_constraint_stats_list.Viol_average_violations_only 0.1006
_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 3 GLY 0.020 0.015 13 0 "[ . 1 . 2]"
1 4 PRO 2.726 0.182 9 0 "[ . 1 . 2]"
1 5 VAL 6.319 0.243 5 0 "[ . 1 . 2]"
1 6 LEU 5.667 0.243 5 0 "[ . 1 . 2]"
1 7 GLY 0.944 0.066 3 0 "[ . 1 . 2]"
1 8 LEU 10.488 0.275 4 0 "[ . 1 . 2]"
1 9 VAL 11.438 0.354 8 0 "[ . 1 . 2]"
1 10 GLY 3.175 0.142 10 0 "[ . 1 . 2]"
1 11 SER 6.080 0.354 8 0 "[ . 1 . 2]"
1 12 ALA 0.798 0.044 9 0 "[ . 1 . 2]"
1 13 LEU 8.932 0.245 11 0 "[ . 1 . 2]"
1 14 GLY 0.211 0.078 1 0 "[ . 1 . 2]"
1 15 GLY 5.295 0.245 11 0 "[ . 1 . 2]"
1 16 LEU 4.341 0.236 10 0 "[ . 1 . 2]"
1 17 LEU 4.356 0.236 10 0 "[ . 1 . 2]"
1 18 LYS 6.197 0.321 1 0 "[ . 1 . 2]"
1 19 LYS 11.529 0.321 1 0 "[ . 1 . 2]"
1 20 ILE 9.309 0.216 13 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 3 GLY H 1 3 GLY QA 2.522 . 2.522 2.325 2.188 2.496 . 0 0 "[ . 1 . 2]" 1
2 1 3 GLY H 1 4 PRO QD 4.414 . 4.414 3.340 1.914 4.141 . 0 0 "[ . 1 . 2]" 1
3 1 3 GLY QA 1 4 PRO QB 4.764 . 4.764 4.448 4.270 4.551 . 0 0 "[ . 1 . 2]" 1
4 1 3 GLY QA 1 4 PRO QD . . 2.776 1.958 1.785 2.261 0.015 13 0 "[ . 1 . 2]" 1
5 1 3 GLY QA 1 6 LEU H 6.000 . 6.000 4.004 3.770 4.484 . 0 0 "[ . 1 . 2]" 1
6 1 4 PRO HA 1 4 PRO QD . . 4.076 3.485 3.353 3.508 . 0 0 "[ . 1 . 2]" 1
7 1 4 PRO HA 1 4 PRO QG 3.310 . 3.310 3.283 3.035 3.492 0.182 9 0 "[ . 1 . 2]" 1
8 1 4 PRO HA 1 5 VAL H 3.298 . 3.298 3.358 3.265 3.429 0.131 11 0 "[ . 1 . 2]" 1
9 1 4 PRO HA 1 6 LEU H 4.913 . 4.913 4.229 4.121 4.451 . 0 0 "[ . 1 . 2]" 1
10 1 4 PRO HA 1 7 GLY H 4.480 . 4.480 3.516 3.420 3.621 . 0 0 "[ . 1 . 2]" 1
11 1 4 PRO HA 1 7 GLY QA 4.101 . 4.101 4.129 4.063 4.167 0.066 3 0 "[ . 1 . 2]" 1
12 1 4 PRO HA 1 8 LEU H 6.000 . 6.000 4.501 4.153 4.878 . 0 0 "[ . 1 . 2]" 1
13 1 4 PRO QB 1 4 PRO QD . . 3.107 2.835 2.731 2.913 . 0 0 "[ . 1 . 2]" 1
14 1 4 PRO QB 1 5 VAL H 4.425 . 4.425 3.513 3.163 3.726 . 0 0 "[ . 1 . 2]" 1
15 1 4 PRO QB 1 5 VAL QG 6.000 . 6.000 3.611 3.181 4.574 . 0 0 "[ . 1 . 2]" 1
16 1 4 PRO QB 1 7 GLY H 6.000 . 6.000 4.999 4.864 5.158 . 0 0 "[ . 1 . 2]" 1
17 1 4 PRO QD 1 5 VAL H 4.140 . 4.140 2.464 2.026 2.950 . 0 0 "[ . 1 . 2]" 1
18 1 5 VAL H 1 5 VAL HA 2.952 . 2.952 2.909 2.903 2.914 . 0 0 "[ . 1 . 2]" 1
19 1 5 VAL H 1 5 VAL HB 2.850 . 2.850 2.571 2.357 2.642 . 0 0 "[ . 1 . 2]" 1
20 1 5 VAL H 1 5 VAL QG 3.666 . 3.666 2.241 2.080 2.554 . 0 0 "[ . 1 . 2]" 1
21 1 5 VAL H 1 6 LEU H 3.061 . 3.061 2.208 2.196 2.226 . 0 0 "[ . 1 . 2]" 1
22 1 5 VAL H 1 6 LEU QB 3.611 . 3.611 3.809 3.771 3.854 0.243 5 0 "[ . 1 . 2]" 1
23 1 5 VAL H 1 7 GLY H 5.247 . 5.247 3.903 3.752 4.012 . 0 0 "[ . 1 . 2]" 1
24 1 5 VAL H 1 8 LEU H 6.000 . 6.000 4.612 4.444 4.866 . 0 0 "[ . 1 . 2]" 1
25 1 5 VAL HA 1 5 VAL HB 3.121 . 3.121 3.008 2.680 3.028 . 0 0 "[ . 1 . 2]" 1
26 1 5 VAL HA 1 5 VAL QG 3.224 . 3.224 2.113 2.048 2.172 . 0 0 "[ . 1 . 2]" 1
27 1 5 VAL HA 1 6 LEU H 3.454 . 3.454 3.477 3.471 3.483 0.029 11 0 "[ . 1 . 2]" 1
28 1 5 VAL HA 1 8 LEU QB . . 3.290 2.538 2.111 3.353 0.063 1 0 "[ . 1 . 2]" 1
29 1 5 VAL HA 1 8 LEU HG 3.459 . 3.459 3.015 1.863 3.501 0.042 5 0 "[ . 1 . 2]" 1
30 1 5 VAL HA 1 9 VAL H 4.501 . 4.501 4.011 3.867 4.230 . 0 0 "[ . 1 . 2]" 1
31 1 5 VAL HB 1 6 LEU H 3.371 . 3.371 2.669 2.543 3.447 0.076 17 0 "[ . 1 . 2]" 1
32 1 6 LEU H 1 6 LEU QB 2.742 . 2.742 2.119 2.045 2.161 . 0 0 "[ . 1 . 2]" 1
33 1 6 LEU H 1 6 LEU QD 3.568 . 3.568 3.610 3.463 3.649 0.081 15 0 "[ . 1 . 2]" 1
34 1 6 LEU H 1 7 GLY H 3.117 . 3.117 2.722 2.644 2.821 . 0 0 "[ . 1 . 2]" 1
35 1 6 LEU H 1 8 LEU H 5.246 . 5.246 3.938 3.771 4.246 . 0 0 "[ . 1 . 2]" 1
36 1 6 LEU H 1 9 VAL QG 6.000 . 6.000 4.559 4.319 4.748 . 0 0 "[ . 1 . 2]" 1
37 1 6 LEU HA 1 6 LEU QB 2.764 . 2.764 2.272 2.217 2.328 . 0 0 "[ . 1 . 2]" 1
38 1 6 LEU HA 1 9 VAL H 3.556 . 3.556 3.545 3.469 3.576 0.020 5 0 "[ . 1 . 2]" 1
39 1 6 LEU HA 1 9 VAL HB 3.216 . 3.216 3.127 2.786 3.224 0.008 16 0 "[ . 1 . 2]" 1
40 1 6 LEU HA 1 10 GLY H 3.927 . 3.927 3.653 3.281 3.951 0.024 5 0 "[ . 1 . 2]" 1
41 1 6 LEU QB 1 6 LEU HG 2.758 . 2.758 2.455 2.346 2.544 . 0 0 "[ . 1 . 2]" 1
42 1 6 LEU QB 1 7 GLY H . . 2.985 2.583 2.360 2.974 . 0 0 "[ . 1 . 2]" 1
43 1 6 LEU HG 1 7 GLY H 3.700 . 3.700 3.512 3.262 3.718 0.018 3 0 "[ . 1 . 2]" 1
44 1 7 GLY H 1 7 GLY QA 2.421 . 2.421 2.212 2.205 2.223 . 0 0 "[ . 1 . 2]" 1
45 1 7 GLY H 1 8 LEU H 3.232 . 3.232 2.505 2.404 2.556 . 0 0 "[ . 1 . 2]" 1
46 1 7 GLY H 1 8 LEU QB 4.835 . 4.835 4.324 4.057 4.900 0.065 3 0 "[ . 1 . 2]" 1
47 1 7 GLY H 1 10 GLY H 6.000 . 6.000 4.569 4.396 4.708 . 0 0 "[ . 1 . 2]" 1
48 1 7 GLY QA 1 8 LEU H 2.943 . 2.943 2.801 2.701 2.851 . 0 0 "[ . 1 . 2]" 1
49 1 7 GLY QA 1 10 GLY H 3.853 . 3.853 3.458 3.283 3.655 . 0 0 "[ . 1 . 2]" 1
50 1 8 LEU H 1 8 LEU QB 2.952 . 2.952 2.222 1.955 2.842 . 0 0 "[ . 1 . 2]" 1
51 1 8 LEU H 1 8 LEU HG 3.386 . 3.386 3.059 1.794 3.653 0.267 5 0 "[ . 1 . 2]" 1
52 1 8 LEU H 1 9 VAL H 3.165 . 3.165 2.341 2.309 2.374 . 0 0 "[ . 1 . 2]" 1
53 1 8 LEU H 1 9 VAL HA 5.754 . 5.754 5.035 5.019 5.058 . 0 0 "[ . 1 . 2]" 1
54 1 8 LEU H 1 9 VAL HB 4.774 . 4.774 4.160 4.108 4.220 . 0 0 "[ . 1 . 2]" 1
55 1 8 LEU H 1 9 VAL QG 6.000 . 6.000 4.269 4.211 4.377 . 0 0 "[ . 1 . 2]" 1
56 1 8 LEU H 1 10 GLY H 5.055 . 5.055 3.910 3.750 4.061 . 0 0 "[ . 1 . 2]" 1
57 1 8 LEU H 1 11 SER QB 4.955 . 4.955 4.284 4.149 4.890 . 0 0 "[ . 1 . 2]" 1
58 1 8 LEU HA 1 8 LEU HG 3.471 . 3.471 3.575 3.552 3.589 0.118 9 0 "[ . 1 . 2]" 1
59 1 8 LEU HA 1 9 VAL QG 5.732 . 5.732 5.071 5.054 5.092 . 0 0 "[ . 1 . 2]" 1
60 1 8 LEU HA 1 10 GLY H 4.881 . 4.881 4.742 4.575 4.849 . 0 0 "[ . 1 . 2]" 1
61 1 8 LEU HA 1 11 SER H 3.878 . 3.878 3.510 3.343 3.618 . 0 0 "[ . 1 . 2]" 1
62 1 8 LEU QB 1 9 VAL H 3.719 . 3.719 2.860 2.797 2.910 . 0 0 "[ . 1 . 2]" 1
63 1 8 LEU QB 1 9 VAL HB 3.942 . 3.942 4.137 3.953 4.217 0.275 4 0 "[ . 1 . 2]" 1
64 1 8 LEU QB 1 9 VAL QG 4.764 . 4.764 4.274 3.946 4.406 . 0 0 "[ . 1 . 2]" 1
65 1 8 LEU HG 1 9 VAL H 3.930 . 3.930 2.808 2.490 3.459 . 0 0 "[ . 1 . 2]" 1
66 1 8 LEU HG 1 9 VAL HB 4.621 . 4.621 3.629 3.076 4.779 0.158 1 0 "[ . 1 . 2]" 1
67 1 8 LEU HG 1 9 VAL QG 5.035 . 5.035 3.805 3.214 4.985 . 0 0 "[ . 1 . 2]" 1
68 1 9 VAL H 1 9 VAL HA 2.966 . 2.966 2.861 2.857 2.867 . 0 0 "[ . 1 . 2]" 1
69 1 9 VAL H 1 9 VAL HB 2.835 . 2.835 2.118 2.089 2.163 . 0 0 "[ . 1 . 2]" 1
70 1 9 VAL H 1 9 VAL QG 3.271 . 3.271 2.751 2.718 2.809 . 0 0 "[ . 1 . 2]" 1
71 1 9 VAL H 1 10 GLY H 3.288 . 3.288 2.439 2.388 2.485 . 0 0 "[ . 1 . 2]" 1
72 1 9 VAL H 1 11 SER H 3.086 . 3.086 3.386 3.346 3.440 0.354 8 0 "[ . 1 . 2]" 1
73 1 9 VAL HA 1 9 VAL QG 3.113 . 3.113 2.032 1.926 2.126 . 0 0 "[ . 1 . 2]" 1
74 1 9 VAL HA 1 12 ALA MB 3.593 . 3.593 3.163 2.774 3.462 . 0 0 "[ . 1 . 2]" 1
75 1 9 VAL HB 1 10 GLY H 3.194 . 3.194 3.229 3.196 3.250 0.056 5 0 "[ . 1 . 2]" 1
76 1 9 VAL HB 1 12 ALA MB 6.000 . 6.000 5.545 5.158 5.884 . 0 0 "[ . 1 . 2]" 1
77 1 9 VAL QG 1 10 GLY H 5.163 . 5.163 1.896 1.868 1.950 . 0 0 "[ . 1 . 2]" 1
78 1 9 VAL QG 1 13 LEU H 5.546 . 5.546 3.878 3.781 4.000 . 0 0 "[ . 1 . 2]" 1
79 1 10 GLY H 1 10 GLY QA . . 2.790 2.207 2.201 2.212 . 0 0 "[ . 1 . 2]" 1
80 1 10 GLY H 1 11 SER H 3.330 . 3.330 2.464 2.417 2.517 . 0 0 "[ . 1 . 2]" 1
81 1 10 GLY H 1 13 LEU H 4.322 . 4.322 4.440 4.418 4.464 0.142 10 0 "[ . 1 . 2]" 1
82 1 10 GLY H 1 13 LEU QB 6.000 . 6.000 4.144 3.955 4.340 . 0 0 "[ . 1 . 2]" 1
83 1 10 GLY QA 1 11 SER H 3.177 . 3.177 2.854 2.844 2.858 . 0 0 "[ . 1 . 2]" 1
84 1 10 GLY QA 1 13 LEU H 3.768 . 3.768 3.103 2.942 3.323 . 0 0 "[ . 1 . 2]" 1
85 1 10 GLY QA 1 13 LEU QB 4.208 . 4.208 2.013 1.851 2.420 . 0 0 "[ . 1 . 2]" 1
86 1 10 GLY QA 1 14 GLY H 3.618 . 3.618 3.316 2.430 3.646 0.028 17 0 "[ . 1 . 2]" 1
87 1 11 SER H 1 11 SER HA 3.021 . 3.021 2.868 2.840 2.901 . 0 0 "[ . 1 . 2]" 1
88 1 11 SER H 1 11 SER QB 2.636 . 2.636 2.197 2.111 2.714 0.078 8 0 "[ . 1 . 2]" 1
89 1 11 SER HA 1 12 ALA H 3.728 . 3.728 3.533 3.516 3.543 . 0 0 "[ . 1 . 2]" 1
90 1 12 ALA H 1 12 ALA HA 2.839 . 2.839 2.879 2.857 2.883 0.044 9 0 "[ . 1 . 2]" 1
91 1 12 ALA H 1 12 ALA MB 3.027 . 3.027 2.160 2.066 2.274 . 0 0 "[ . 1 . 2]" 1
92 1 12 ALA H 1 13 LEU H 3.262 . 3.262 2.359 2.326 2.456 . 0 0 "[ . 1 . 2]" 1
93 1 12 ALA H 1 13 LEU HA 5.609 . 5.609 4.982 4.918 5.074 . 0 0 "[ . 1 . 2]" 1
94 1 12 ALA H 1 13 LEU QB 4.840 . 4.840 4.118 4.027 4.285 . 0 0 "[ . 1 . 2]" 1
95 1 12 ALA HA 1 13 LEU H 3.655 . 3.655 3.492 3.467 3.522 . 0 0 "[ . 1 . 2]" 1
96 1 12 ALA HA 1 15 GLY H 3.631 . 3.631 3.242 3.030 3.529 . 0 0 "[ . 1 . 2]" 1
97 1 12 ALA HA 1 16 LEU H 5.575 . 5.575 4.350 3.862 5.267 . 0 0 "[ . 1 . 2]" 1
98 1 12 ALA MB 1 13 LEU H 3.544 . 3.544 2.866 2.760 2.944 . 0 0 "[ . 1 . 2]" 1
99 1 13 LEU H 1 13 LEU HA 3.075 . 3.075 2.821 2.779 2.864 . 0 0 "[ . 1 . 2]" 1
100 1 13 LEU H 1 13 LEU QB . . 2.482 2.172 2.075 2.285 . 0 0 "[ . 1 . 2]" 1
101 1 13 LEU H 1 14 GLY QA 5.174 . 5.174 4.585 4.474 4.677 . 0 0 "[ . 1 . 2]" 1
102 1 13 LEU H 1 15 GLY H 3.723 . 3.723 3.576 3.453 3.690 . 0 0 "[ . 1 . 2]" 1
103 1 13 LEU H 1 16 LEU H 5.340 . 5.340 5.062 4.785 5.348 0.008 11 0 "[ . 1 . 2]" 1
104 1 13 LEU HA 1 13 LEU QB . . 2.355 2.431 2.398 2.489 0.134 15 0 "[ . 1 . 2]" 1
105 1 13 LEU HA 1 14 GLY H 3.628 . 3.628 3.548 3.533 3.557 . 0 0 "[ . 1 . 2]" 1
106 1 13 LEU HA 1 15 GLY H 3.992 . 3.992 4.006 3.810 4.089 0.097 5 0 "[ . 1 . 2]" 1
107 1 13 LEU QB 1 14 GLY H 3.561 . 3.561 2.262 2.195 2.419 . 0 0 "[ . 1 . 2]" 1
108 1 13 LEU QB 1 15 GLY H 3.903 . 3.903 4.124 4.083 4.148 0.245 11 0 "[ . 1 . 2]" 1
109 1 13 LEU QB 1 16 LEU H 6.000 . 6.000 5.160 4.828 5.580 . 0 0 "[ . 1 . 2]" 1
110 1 14 GLY H 1 14 GLY QA . . 2.666 2.217 2.202 2.233 . 0 0 "[ . 1 . 2]" 1
111 1 14 GLY H 1 15 GLY H 3.434 . 3.434 2.419 2.294 2.586 . 0 0 "[ . 1 . 2]" 1
112 1 14 GLY H 1 16 LEU H 5.022 . 5.022 4.442 4.104 4.848 . 0 0 "[ . 1 . 2]" 1
113 1 14 GLY QA 1 15 GLY H 3.488 . 3.488 2.841 2.836 2.846 . 0 0 "[ . 1 . 2]" 1
114 1 14 GLY QA 1 16 LEU H 5.715 . 5.715 3.972 3.502 4.413 . 0 0 "[ . 1 . 2]" 1
115 1 14 GLY QA 1 17 LEU H 4.654 . 4.654 3.187 2.956 3.371 . 0 0 "[ . 1 . 2]" 1
116 1 14 GLY QA 1 17 LEU QB 3.252 . 3.252 2.252 1.763 3.114 0.037 1 0 "[ . 1 . 2]" 1
117 1 14 GLY QA 1 17 LEU QD 6.000 . 6.000 2.859 1.954 3.710 . 0 0 "[ . 1 . 2]" 1
118 1 14 GLY QA 1 17 LEU HG 3.984 . 3.984 3.661 2.832 4.062 0.078 1 0 "[ . 1 . 2]" 1
119 1 14 GLY QA 1 18 LYS H 5.941 . 5.941 3.838 3.184 4.535 . 0 0 "[ . 1 . 2]" 1
120 1 15 GLY H 1 15 GLY QA 2.488 . 2.488 2.207 2.198 2.223 . 0 0 "[ . 1 . 2]" 1
121 1 15 GLY H 1 16 LEU H 3.373 . 3.373 2.715 2.511 2.970 . 0 0 "[ . 1 . 2]" 1
122 1 15 GLY H 1 17 LEU H 4.566 . 4.566 3.867 3.623 4.117 . 0 0 "[ . 1 . 2]" 1
123 1 15 GLY H 1 17 LEU QB 6.000 . 6.000 4.530 3.920 5.147 . 0 0 "[ . 1 . 2]" 1
124 1 15 GLY H 1 18 LYS H 4.961 . 4.961 4.844 4.482 5.007 0.046 7 0 "[ . 1 . 2]" 1
125 1 15 GLY QA 1 16 LEU H 3.194 . 3.194 2.720 2.547 2.888 . 0 0 "[ . 1 . 2]" 1
126 1 15 GLY QA 1 18 LYS H 3.925 . 3.925 3.626 3.236 3.951 0.026 1 0 "[ . 1 . 2]" 1
127 1 16 LEU H 1 16 LEU HA 2.888 . 2.888 2.871 2.868 2.873 . 0 0 "[ . 1 . 2]" 1
128 1 16 LEU H 1 16 LEU QB 2.717 . 2.717 2.199 2.069 2.696 . 0 0 "[ . 1 . 2]" 1
129 1 16 LEU H 1 17 LEU H 3.224 . 3.224 2.329 2.310 2.358 . 0 0 "[ . 1 . 2]" 1
130 1 16 LEU H 1 17 LEU HA 4.733 . 4.733 4.941 4.902 4.969 0.236 10 0 "[ . 1 . 2]" 1
131 1 16 LEU H 1 18 LYS H 5.006 . 5.006 4.195 3.876 4.607 . 0 0 "[ . 1 . 2]" 1
132 1 16 LEU H 1 19 LYS H 4.902 2.200 4.902 4.831 4.604 4.928 0.026 13 0 "[ . 1 . 2]" 1
133 1 16 LEU HA 1 16 LEU QB 2.562 . 2.562 2.451 2.171 2.542 . 0 0 "[ . 1 . 2]" 1
134 1 16 LEU HA 1 17 LEU H 3.694 . 3.694 3.465 3.392 3.487 . 0 0 "[ . 1 . 2]" 1
135 1 16 LEU HA 1 19 LYS H 3.838 . 3.838 3.564 3.278 3.849 0.011 10 0 "[ . 1 . 2]" 1
136 1 16 LEU QB 1 17 LEU H 3.298 . 3.298 2.866 2.697 3.364 0.066 12 0 "[ . 1 . 2]" 1
137 1 17 LEU H 1 17 LEU HA 2.930 . 2.930 2.798 2.746 2.829 . 0 0 "[ . 1 . 2]" 1
138 1 17 LEU H 1 17 LEU QB 2.426 . 2.426 2.142 1.987 2.356 . 0 0 "[ . 1 . 2]" 1
139 1 17 LEU H 1 17 LEU QD 4.295 . 4.295 3.125 1.985 3.689 . 0 0 "[ . 1 . 2]" 1
140 1 17 LEU H 1 18 LYS H 3.083 . 3.083 2.678 2.505 2.850 . 0 0 "[ . 1 . 2]" 1
141 1 17 LEU H 1 19 LYS H 4.699 . 4.699 4.128 3.621 4.515 . 0 0 "[ . 1 . 2]" 1
142 1 17 LEU HA 1 17 LEU QB 2.740 . 2.740 2.480 2.399 2.532 . 0 0 "[ . 1 . 2]" 1
143 1 17 LEU HA 1 18 LYS H 3.615 . 3.615 3.536 3.495 3.566 . 0 0 "[ . 1 . 2]" 1
144 1 18 LYS H 1 18 LYS HA 2.989 . 2.989 2.861 2.821 2.887 . 0 0 "[ . 1 . 2]" 1
145 1 18 LYS H 1 18 LYS QB 2.490 . 2.490 2.225 2.072 2.313 . 0 0 "[ . 1 . 2]" 1
146 1 18 LYS HA 1 18 LYS QB 2.491 . 2.491 2.309 2.147 2.426 . 0 0 "[ . 1 . 2]" 1
147 1 18 LYS HA 1 18 LYS QE 5.898 . 5.898 3.188 1.797 4.108 0.003 20 0 "[ . 1 . 2]" 1
148 1 18 LYS HA 1 18 LYS QG . . 3.424 2.908 2.349 3.381 . 0 0 "[ . 1 . 2]" 1
149 1 18 LYS HA 1 19 LYS QE 4.878 . 4.878 4.708 2.291 5.199 0.321 1 0 "[ . 1 . 2]" 1
150 1 18 LYS QE 1 19 LYS HA 6.000 . 6.000 2.913 2.228 5.080 . 0 0 "[ . 1 . 2]" 1
151 1 18 LYS QE 1 19 LYS QE 2.200 . 2.200 2.033 1.825 2.337 0.137 11 0 "[ . 1 . 2]" 1
152 1 18 LYS QE 1 20 ILE H 4.015 . 4.015 3.510 3.256 3.820 . 0 0 "[ . 1 . 2]" 1
153 1 18 LYS QE 1 20 ILE HA 4.984 . 4.984 4.844 4.018 5.016 0.032 10 0 "[ . 1 . 2]" 1
154 1 18 LYS QE 1 20 ILE HB 6.000 . 6.000 5.144 3.021 5.638 . 0 0 "[ . 1 . 2]" 1
155 1 18 LYS QE 1 20 ILE MD 3.333 . 3.333 3.050 2.427 3.349 0.016 4 0 "[ . 1 . 2]" 1
156 1 18 LYS QE 1 20 ILE QG . . 3.165 3.006 1.777 3.239 0.074 9 0 "[ . 1 . 2]" 1
157 1 19 LYS H 1 19 LYS HA 2.746 . 2.746 2.752 2.590 2.801 0.055 16 0 "[ . 1 . 2]" 1
158 1 19 LYS HA 1 19 LYS QB . . 2.758 2.456 2.170 2.522 . 0 0 "[ . 1 . 2]" 1
159 1 19 LYS HA 1 19 LYS QE 6.000 . 6.000 1.952 1.627 3.638 0.173 1 0 "[ . 1 . 2]" 1
160 1 19 LYS QE 1 20 ILE H 3.336 . 3.336 2.059 1.784 3.419 0.083 3 0 "[ . 1 . 2]" 1
161 1 19 LYS QE 1 20 ILE HA 4.179 . 4.179 4.177 3.096 4.395 0.216 13 0 "[ . 1 . 2]" 1
162 1 19 LYS QE 1 20 ILE HB 4.422 . 4.422 3.902 3.588 4.454 0.032 11 0 "[ . 1 . 2]" 1
163 1 19 LYS QE 1 20 ILE MD 3.336 . 3.336 2.846 2.073 3.380 0.044 9 0 "[ . 1 . 2]" 1
164 1 19 LYS QE 1 20 ILE QG . . 3.047 2.787 2.247 3.077 0.030 10 0 "[ . 1 . 2]" 1
165 1 20 ILE H 1 20 ILE HA 2.920 . 2.920 2.817 2.756 2.907 . 0 0 "[ . 1 . 2]" 1
166 1 20 ILE H 1 20 ILE HB 2.677 . 2.677 2.621 2.225 2.715 0.038 15 0 "[ . 1 . 2]" 1
167 1 20 ILE H 1 20 ILE QG 3.405 . 3.405 2.122 1.899 2.952 . 0 0 "[ . 1 . 2]" 1
168 1 20 ILE HA 1 20 ILE HB 2.773 . 2.773 2.971 2.934 2.982 0.209 16 0 "[ . 1 . 2]" 1
169 1 20 ILE HA 1 20 ILE QG 2.686 . 2.686 2.149 2.041 2.342 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Monday, May 20, 2024 12:27:32 PM GMT (wattos1)