NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
563580 |
2lvg   |
18568 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lvg
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 200
_Distance_constraint_stats_list.Viol_count 329
_Distance_constraint_stats_list.Viol_total 3092.517
_Distance_constraint_stats_list.Viol_max 0.472
_Distance_constraint_stats_list.Viol_rms 0.0642
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0113
_Distance_constraint_stats_list.Viol_average_violations_only 0.2540
_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 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 2 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 3 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 4 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 5 ALA 0.043 0.043 28 0 "[ . 1 . 2 . 3 . ]"
1 6 LEU 0.102 0.083 28 0 "[ . 1 . 2 . 3 . ]"
1 7 ILE 0.031 0.031 28 0 "[ . 1 . 2 . 3 . ]"
1 8 GLU 1.041 0.263 6 0 "[ . 1 . 2 . 3 . ]"
1 9 GLU 1.034 0.263 6 0 "[ . 1 . 2 . 3 . ]"
1 10 GLY 7.877 0.407 33 0 "[ . 1 . 2 . 3 . ]"
1 11 GLN 0.189 0.081 3 0 "[ . 1 . 2 . 3 . ]"
1 12 ARG 0.075 0.075 23 0 "[ . 1 . 2 . 3 . ]"
1 13 ILE 0.029 0.029 7 0 "[ . 1 . 2 . 3 . ]"
1 14 ALA 7.794 0.407 33 0 "[ . 1 . 2 . 3 . ]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 16 MET 0.063 0.034 34 0 "[ . 1 . 2 . 3 . ]"
1 17 LEU 15.890 0.461 19 0 "[ . 1 . 2 . 3 . ]"
1 18 LYS 16.660 0.461 19 0 "[ . 1 . 2 . 3 . ]"
1 19 SER 0.099 0.040 19 0 "[ . 1 . 2 . 3 . ]"
1 20 LYS 1.822 0.178 4 0 "[ . 1 . 2 . 3 . ]"
1 21 ILE 16.873 0.450 36 0 "[ . 1 . 2 . 3 . ]"
1 22 GLN 18.024 0.450 36 0 "[ . 1 . 2 . 3 . ]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 24 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 25 LEU 0.087 0.087 11 0 "[ . 1 . 2 . 3 . ]"
1 26 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 27 GLN 16.392 0.472 21 0 "[ . 1 . 2 . 3 . ]"
1 28 ALA 31.559 0.472 21 0 "[ . 1 . 2 . 3 . ]"
1 29 SER 15.263 0.466 16 0 "[ . 1 . 2 . 3 . ]"
1 30 LYS 0.743 0.126 33 0 "[ . 1 . 2 . 3 . ]"
1 31 GLN 0.152 0.117 35 0 "[ . 1 . 2 . 3 . ]"
1 32 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 33 GLN 0.891 0.124 10 0 "[ . 1 . 2 . 3 . ]"
1 34 ASP 1.992 0.414 37 0 "[ . 1 . 2 . 3 . ]"
1 35 ILE 4.728 0.470 22 0 "[ . 1 . 2 . 3 . ]"
1 36 GLN 3.133 0.470 22 0 "[ . 1 . 2 . 3 . ]"
1 37 PRO 2.288 0.188 31 0 "[ . 1 . 2 . 3 . ]"
1 38 ALA 2.288 0.188 31 0 "[ . 1 . 2 . 3 . ]"
1 39 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 40 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
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 SER H 2.800 . 3.100 2.301 2.209 2.564 . 0 0 "[ . 1 . 2 . 3 . ]" 1
2 1 1 ALA MB 1 2 SER H 2.800 . 4.100 2.987 2.297 3.736 . 0 0 "[ . 1 . 2 . 3 . ]" 1
3 1 2 SER H 1 3 ARG H 5.000 . 5.500 4.428 3.972 4.667 . 0 0 "[ . 1 . 2 . 3 . ]" 1
4 1 2 SER HA 1 3 ARG H 2.800 . 3.100 2.307 2.210 2.529 . 0 0 "[ . 1 . 2 . 3 . ]" 1
5 1 2 SER HA 1 4 ALA H 5.000 . 5.500 4.212 3.550 4.762 . 0 0 "[ . 1 . 2 . 3 . ]" 1
6 1 2 SER HB2 1 3 ARG H 5.000 . 5.500 4.060 2.464 4.675 . 0 0 "[ . 1 . 2 . 3 . ]" 1
7 1 3 ARG H 1 4 ALA H 2.800 . 3.100 2.528 2.148 2.865 . 0 0 "[ . 1 . 2 . 3 . ]" 1
8 1 3 ARG HA 1 4 ALA H 3.900 . 4.300 3.543 3.289 3.601 . 0 0 "[ . 1 . 2 . 3 . ]" 1
9 1 3 ARG QB 1 4 ALA H 2.800 . 4.100 2.771 2.187 3.707 . 0 0 "[ . 1 . 2 . 3 . ]" 1
10 1 4 ALA H 1 5 ALA H 2.800 . 3.100 2.728 2.415 2.921 . 0 0 "[ . 1 . 2 . 3 . ]" 1
11 1 4 ALA HA 1 5 ALA H 5.000 . 5.500 3.574 3.497 3.596 . 0 0 "[ . 1 . 2 . 3 . ]" 1
12 1 4 ALA HA 1 7 ILE H 3.900 . 4.300 3.598 3.328 3.960 . 0 0 "[ . 1 . 2 . 3 . ]" 1
13 1 4 ALA HA 1 7 ILE HB 5.000 . 5.500 3.176 2.598 4.225 . 0 0 "[ . 1 . 2 . 3 . ]" 1
14 1 4 ALA MB 1 5 ALA H 3.900 . 5.300 2.445 2.248 2.886 . 0 0 "[ . 1 . 2 . 3 . ]" 1
15 1 5 ALA H 1 7 ILE H 5.000 . 5.500 4.336 4.094 4.790 . 0 0 "[ . 1 . 2 . 3 . ]" 1
16 1 5 ALA HA 1 6 LEU H 5.000 . 5.500 3.567 3.514 3.604 . 0 0 "[ . 1 . 2 . 3 . ]" 1
17 1 5 ALA HA 1 8 GLU HB2 3.900 . 4.300 2.906 2.219 3.974 . 0 0 "[ . 1 . 2 . 3 . ]" 1
18 1 5 ALA HA 1 8 GLU HB3 3.900 . 4.300 3.278 2.401 4.343 0.043 28 0 "[ . 1 . 2 . 3 . ]" 1
19 1 5 ALA MB 1 6 LEU H 2.800 . 4.100 2.530 2.333 2.822 . 0 0 "[ . 1 . 2 . 3 . ]" 1
20 1 6 LEU H 1 7 ILE H 2.800 . 3.100 2.758 2.651 2.929 . 0 0 "[ . 1 . 2 . 3 . ]" 1
21 1 6 LEU H 1 8 GLU H 5.000 . 5.500 4.223 4.029 4.667 . 0 0 "[ . 1 . 2 . 3 . ]" 1
22 1 6 LEU HA 1 7 ILE H 3.900 . 4.300 3.571 3.537 3.593 . 0 0 "[ . 1 . 2 . 3 . ]" 1
23 1 6 LEU HA 1 9 GLU H 3.900 . 4.300 3.768 3.258 4.383 0.083 28 0 "[ . 1 . 2 . 3 . ]" 1
24 1 6 LEU HA 1 10 GLY H 5.000 . 5.500 4.255 2.969 5.372 . 0 0 "[ . 1 . 2 . 3 . ]" 1
25 1 6 LEU HB2 1 7 ILE H 3.900 . 4.300 3.383 2.601 4.043 . 0 0 "[ . 1 . 2 . 3 . ]" 1
26 1 6 LEU HB3 1 7 ILE H 3.900 . 4.300 2.805 2.346 3.961 . 0 0 "[ . 1 . 2 . 3 . ]" 1
27 1 7 ILE H 1 8 GLU H 3.900 . 4.300 2.621 2.405 2.818 . 0 0 "[ . 1 . 2 . 3 . ]" 1
28 1 7 ILE HA 1 8 GLU H 3.900 . 4.300 3.572 3.546 3.595 . 0 0 "[ . 1 . 2 . 3 . ]" 1
29 1 7 ILE HA 1 9 GLU H 5.000 . 5.500 4.579 4.083 5.468 . 0 0 "[ . 1 . 2 . 3 . ]" 1
30 1 7 ILE HA 1 10 GLY H 3.900 . 4.300 3.606 3.199 4.331 0.031 28 0 "[ . 1 . 2 . 3 . ]" 1
31 1 7 ILE HA 1 11 GLN H 5.000 . 5.500 4.199 3.394 5.229 . 0 0 "[ . 1 . 2 . 3 . ]" 1
32 1 7 ILE HB 1 8 GLU H 2.800 . 3.100 2.571 2.344 2.736 . 0 0 "[ . 1 . 2 . 3 . ]" 1
33 1 8 GLU H 1 9 GLU H 2.800 . 3.100 2.754 2.497 2.943 . 0 0 "[ . 1 . 2 . 3 . ]" 1
34 1 8 GLU HA 1 9 GLU H 5.000 . 5.500 3.580 3.532 3.603 . 0 0 "[ . 1 . 2 . 3 . ]" 1
35 1 8 GLU HA 1 11 GLN H 3.900 . 4.300 3.690 3.179 4.303 0.003 16 0 "[ . 1 . 2 . 3 . ]" 1
36 1 8 GLU HA 1 11 GLN HB3 3.900 . 4.300 3.502 2.235 4.381 0.081 3 0 "[ . 1 . 2 . 3 . ]" 1
37 1 8 GLU HB3 1 9 GLU H 2.800 . 3.100 2.713 2.188 3.363 0.263 6 0 "[ . 1 . 2 . 3 . ]" 1
38 1 9 GLU HA 1 10 GLY H 5.000 . 5.500 3.565 3.486 3.596 . 0 0 "[ . 1 . 2 . 3 . ]" 1
39 1 9 GLU HA 1 11 GLN H 5.000 . 5.500 4.417 3.729 5.562 0.062 10 0 "[ . 1 . 2 . 3 . ]" 1
40 1 9 GLU HA 1 12 ARG H 5.000 . 5.500 3.766 3.150 5.376 . 0 0 "[ . 1 . 2 . 3 . ]" 1
41 1 9 GLU HA 1 13 ILE H 5.000 . 5.500 4.535 3.651 5.448 . 0 0 "[ . 1 . 2 . 3 . ]" 1
42 1 10 GLY H 1 11 GLN H 2.800 . 3.100 2.664 2.244 2.844 . 0 0 "[ . 1 . 2 . 3 . ]" 1
43 1 10 GLY H 1 12 ARG H 5.000 . 5.500 4.313 3.688 5.156 . 0 0 "[ . 1 . 2 . 3 . ]" 1
44 1 10 GLY HA2 1 11 GLN H 3.900 . 4.300 3.546 3.110 3.598 . 0 0 "[ . 1 . 2 . 3 . ]" 1
45 1 10 GLY HA2 1 13 ILE H 5.000 . 5.500 3.390 3.011 3.874 . 0 0 "[ . 1 . 2 . 3 . ]" 1
46 1 10 GLY HA2 1 13 ILE HB 5.000 . 5.500 2.584 2.019 3.381 . 0 0 "[ . 1 . 2 . 3 . ]" 1
47 1 10 GLY HA2 1 14 ALA H 5.000 . 5.500 3.680 3.367 3.934 . 0 0 "[ . 1 . 2 . 3 . ]" 1
48 1 10 GLY HA3 1 11 GLN H 5.000 . 5.500 2.901 2.671 3.486 . 0 0 "[ . 1 . 2 . 3 . ]" 1
49 1 10 GLY HA3 1 12 ARG H 5.000 . 5.500 4.811 4.509 5.575 0.075 23 0 "[ . 1 . 2 . 3 . ]" 1
50 1 10 GLY HA3 1 13 ILE H 5.000 . 5.500 4.652 4.361 4.904 . 0 0 "[ . 1 . 2 . 3 . ]" 1
51 1 10 GLY HA3 1 14 ALA H 3.900 . 4.300 4.506 4.147 4.707 0.407 33 0 "[ . 1 . 2 . 3 . ]" 1
52 1 11 GLN H 1 12 ARG H 2.800 . 3.100 2.783 2.556 2.888 . 0 0 "[ . 1 . 2 . 3 . ]" 1
53 1 11 GLN HA 1 12 ARG H 3.900 . 4.300 3.577 3.540 3.613 . 0 0 "[ . 1 . 2 . 3 . ]" 1
54 1 11 GLN HA 1 13 ILE H 5.000 . 5.500 4.585 4.334 4.794 . 0 0 "[ . 1 . 2 . 3 . ]" 1
55 1 11 GLN HA 1 14 ALA H 3.900 . 4.300 3.658 3.304 4.157 . 0 0 "[ . 1 . 2 . 3 . ]" 1
56 1 11 GLN HA 1 15 GLU H 5.000 . 5.500 4.131 3.008 5.277 . 0 0 "[ . 1 . 2 . 3 . ]" 1
57 1 11 GLN HB2 1 12 ARG H 3.900 . 4.300 3.501 2.287 4.037 . 0 0 "[ . 1 . 2 . 3 . ]" 1
58 1 11 GLN HB3 1 12 ARG H 3.900 . 4.300 2.765 2.262 3.964 . 0 0 "[ . 1 . 2 . 3 . ]" 1
59 1 12 ARG H 1 13 ILE H 3.900 . 4.300 2.657 2.381 2.880 . 0 0 "[ . 1 . 2 . 3 . ]" 1
60 1 12 ARG HA 1 13 ILE H 3.900 . 4.300 3.572 3.495 3.594 . 0 0 "[ . 1 . 2 . 3 . ]" 1
61 1 12 ARG HB2 1 13 ILE H 3.900 . 4.300 3.211 2.471 4.126 . 0 0 "[ . 1 . 2 . 3 . ]" 1
62 1 12 ARG HB3 1 13 ILE H 3.900 . 4.300 2.947 2.242 4.033 . 0 0 "[ . 1 . 2 . 3 . ]" 1
63 1 13 ILE H 1 14 ALA H 2.800 . 3.100 2.586 2.352 2.734 . 0 0 "[ . 1 . 2 . 3 . ]" 1
64 1 13 ILE HA 1 14 ALA H 5.000 . 5.500 3.573 3.507 3.604 . 0 0 "[ . 1 . 2 . 3 . ]" 1
65 1 13 ILE HA 1 15 GLU H 5.000 . 5.500 4.495 4.224 4.908 . 0 0 "[ . 1 . 2 . 3 . ]" 1
66 1 13 ILE HA 1 16 MET H 3.900 . 4.300 3.512 3.238 3.925 . 0 0 "[ . 1 . 2 . 3 . ]" 1
67 1 13 ILE HA 1 16 MET HB2 3.900 . 4.300 3.018 2.248 3.934 . 0 0 "[ . 1 . 2 . 3 . ]" 1
68 1 13 ILE HA 1 16 MET HB3 3.900 . 4.300 3.316 2.316 4.329 0.029 7 0 "[ . 1 . 2 . 3 . ]" 1
69 1 13 ILE HA 1 17 LEU H 5.000 . 5.500 4.025 3.624 4.626 . 0 0 "[ . 1 . 2 . 3 . ]" 1
70 1 13 ILE HB 1 14 ALA H 2.800 . 3.100 2.600 2.272 2.944 . 0 0 "[ . 1 . 2 . 3 . ]" 1
71 1 14 ALA HA 1 15 GLU H 3.900 . 4.300 3.587 3.569 3.607 . 0 0 "[ . 1 . 2 . 3 . ]" 1
72 1 14 ALA HA 1 17 LEU H 3.900 . 4.300 3.615 3.285 4.077 . 0 0 "[ . 1 . 2 . 3 . ]" 1
73 1 14 ALA HA 1 17 LEU HB2 3.900 . 4.300 3.041 2.184 4.141 . 0 0 "[ . 1 . 2 . 3 . ]" 1
74 1 14 ALA HA 1 17 LEU HB3 3.900 . 4.300 3.406 2.312 4.318 0.018 2 0 "[ . 1 . 2 . 3 . ]" 1
75 1 14 ALA HA 1 18 LYS H 5.000 . 5.500 4.270 3.790 5.140 . 0 0 "[ . 1 . 2 . 3 . ]" 1
76 1 14 ALA MB 1 15 GLU H 2.800 . 4.100 2.418 2.191 2.565 . 0 0 "[ . 1 . 2 . 3 . ]" 1
77 1 15 GLU H 1 16 MET H 2.800 . 3.100 2.720 2.500 2.888 . 0 0 "[ . 1 . 2 . 3 . ]" 1
78 1 15 GLU H 1 17 LEU H 5.000 . 5.500 4.118 3.844 4.468 . 0 0 "[ . 1 . 2 . 3 . ]" 1
79 1 15 GLU HA 1 16 MET H 5.000 . 5.500 3.580 3.547 3.598 . 0 0 "[ . 1 . 2 . 3 . ]" 1
80 1 15 GLU HA 1 18 LYS QB 3.900 . 5.300 2.710 2.071 3.652 . 0 0 "[ . 1 . 2 . 3 . ]" 1
81 1 15 GLU HB2 1 16 MET H 3.900 . 4.300 3.214 2.464 3.836 . 0 0 "[ . 1 . 2 . 3 . ]" 1
82 1 16 MET H 1 17 LEU H 3.900 . 4.300 2.682 2.508 2.811 . 0 0 "[ . 1 . 2 . 3 . ]" 1
83 1 16 MET HA 1 17 LEU H 3.900 . 4.300 3.565 3.523 3.591 . 0 0 "[ . 1 . 2 . 3 . ]" 1
84 1 16 MET HA 1 18 LYS H 5.000 . 5.500 4.310 3.978 4.569 . 0 0 "[ . 1 . 2 . 3 . ]" 1
85 1 16 MET HA 1 19 SER H 3.900 . 4.300 3.773 3.363 4.334 0.034 34 0 "[ . 1 . 2 . 3 . ]" 1
86 1 16 MET HA 1 20 LYS H 5.000 . 5.500 4.658 4.102 5.297 . 0 0 "[ . 1 . 2 . 3 . ]" 1
87 1 16 MET HB2 1 17 LEU H 3.900 . 4.300 3.356 2.619 3.814 . 0 0 "[ . 1 . 2 . 3 . ]" 1
88 1 16 MET HB3 1 17 LEU H 3.900 . 4.300 2.840 2.457 3.566 . 0 0 "[ . 1 . 2 . 3 . ]" 1
89 1 17 LEU H 1 18 LYS H 2.800 . 3.100 2.603 2.322 2.794 . 0 0 "[ . 1 . 2 . 3 . ]" 1
90 1 17 LEU H 1 19 SER H 5.000 . 5.500 4.428 4.143 4.777 . 0 0 "[ . 1 . 2 . 3 . ]" 1
91 1 17 LEU HA 1 18 LYS H 2.800 . 3.100 3.528 3.471 3.561 0.461 19 0 "[ . 1 . 2 . 3 . ]" 1
92 1 17 LEU HA 1 19 SER H 5.000 . 5.500 4.476 4.241 4.717 . 0 0 "[ . 1 . 2 . 3 . ]" 1
93 1 17 LEU HA 1 20 LYS H 3.900 . 4.300 3.361 3.086 3.663 . 0 0 "[ . 1 . 2 . 3 . ]" 1
94 1 17 LEU HA 1 20 LYS HB2 3.900 . 4.300 2.639 2.047 3.537 . 0 0 "[ . 1 . 2 . 3 . ]" 1
95 1 17 LEU HA 1 20 LYS HB3 3.900 . 4.300 3.368 2.094 4.314 0.014 32 0 "[ . 1 . 2 . 3 . ]" 1
96 1 17 LEU HA 1 21 ILE H 5.000 . 5.500 4.128 3.549 4.428 . 0 0 "[ . 1 . 2 . 3 . ]" 1
97 1 17 LEU HB2 1 18 LYS H 3.900 . 4.300 3.428 2.664 3.884 . 0 0 "[ . 1 . 2 . 3 . ]" 1
98 1 17 LEU HB3 1 18 LYS H 3.900 . 4.300 2.969 2.494 3.564 . 0 0 "[ . 1 . 2 . 3 . ]" 1
99 1 18 LYS H 1 19 SER H 2.800 . 3.100 2.796 2.656 2.956 . 0 0 "[ . 1 . 2 . 3 . ]" 1
100 1 18 LYS HA 1 19 SER H 3.900 . 4.300 3.585 3.568 3.599 . 0 0 "[ . 1 . 2 . 3 . ]" 1
101 1 18 LYS HA 1 20 LYS H 5.000 . 5.500 4.433 4.160 4.556 . 0 0 "[ . 1 . 2 . 3 . ]" 1
102 1 18 LYS HA 1 21 ILE H 3.900 . 4.300 3.636 3.381 3.878 . 0 0 "[ . 1 . 2 . 3 . ]" 1
103 1 18 LYS HA 1 21 ILE HB 2.800 . 3.100 2.987 2.536 3.326 0.226 2 0 "[ . 1 . 2 . 3 . ]" 1
104 1 18 LYS HA 1 22 GLN H 5.000 . 5.500 4.398 3.774 5.046 . 0 0 "[ . 1 . 2 . 3 . ]" 1
105 1 18 LYS QB 1 19 SER H 2.800 . 4.100 2.434 2.213 2.645 . 0 0 "[ . 1 . 2 . 3 . ]" 1
106 1 19 SER H 1 20 LYS H 3.900 . 4.300 2.654 2.495 2.763 . 0 0 "[ . 1 . 2 . 3 . ]" 1
107 1 19 SER HA 1 20 LYS H 3.900 . 4.300 3.561 3.523 3.577 . 0 0 "[ . 1 . 2 . 3 . ]" 1
108 1 19 SER HA 1 21 ILE H 5.000 . 5.500 4.510 4.244 4.943 . 0 0 "[ . 1 . 2 . 3 . ]" 1
109 1 19 SER HA 1 22 GLN H 5.000 . 5.500 3.488 3.273 3.862 . 0 0 "[ . 1 . 2 . 3 . ]" 1
110 1 19 SER HA 1 22 GLN HB2 3.900 . 4.300 2.849 2.206 3.616 . 0 0 "[ . 1 . 2 . 3 . ]" 1
111 1 19 SER HA 1 22 GLN HB3 3.900 . 4.300 3.382 2.538 4.340 0.040 19 0 "[ . 1 . 2 . 3 . ]" 1
112 1 20 LYS H 1 21 ILE H 2.800 . 3.100 2.700 2.513 2.805 . 0 0 "[ . 1 . 2 . 3 . ]" 1
113 1 20 LYS HA 1 21 ILE H 5.000 . 5.500 3.578 3.564 3.598 . 0 0 "[ . 1 . 2 . 3 . ]" 1
114 1 20 LYS HA 1 22 GLN H 3.900 . 4.300 4.335 4.131 4.478 0.178 4 0 "[ . 1 . 2 . 3 . ]" 1
115 1 20 LYS HA 1 23 GLY H 3.900 . 4.300 3.612 3.367 4.009 . 0 0 "[ . 1 . 2 . 3 . ]" 1
116 1 20 LYS HB2 1 21 ILE H 3.900 . 4.300 3.142 2.481 3.804 . 0 0 "[ . 1 . 2 . 3 . ]" 1
117 1 20 LYS HB3 1 21 ILE H 3.900 . 4.300 2.896 2.209 3.499 . 0 0 "[ . 1 . 2 . 3 . ]" 1
118 1 21 ILE HA 1 22 GLN H 2.800 . 3.100 3.534 3.501 3.550 0.450 36 0 "[ . 1 . 2 . 3 . ]" 1
119 1 21 ILE HA 1 23 GLY H 5.000 . 5.500 4.522 4.188 4.831 . 0 0 "[ . 1 . 2 . 3 . ]" 1
120 1 21 ILE HA 1 24 LEU H 3.900 . 4.300 3.517 3.246 4.082 . 0 0 "[ . 1 . 2 . 3 . ]" 1
121 1 21 ILE HA 1 25 LEU H 5.000 . 5.500 4.150 3.546 4.815 . 0 0 "[ . 1 . 2 . 3 . ]" 1
122 1 21 ILE HB 1 22 GLN H 3.900 . 4.300 2.818 2.558 3.772 . 0 0 "[ . 1 . 2 . 3 . ]" 1
123 1 22 GLN H 1 23 GLY H 2.800 . 3.100 2.691 2.441 2.873 . 0 0 "[ . 1 . 2 . 3 . ]" 1
124 1 22 GLN HA 1 23 GLY H 3.900 . 4.300 3.581 3.546 3.594 . 0 0 "[ . 1 . 2 . 3 . ]" 1
125 1 22 GLN HA 1 25 LEU H 3.900 . 4.300 3.551 3.134 3.847 . 0 0 "[ . 1 . 2 . 3 . ]" 1
126 1 22 GLN HA 1 25 LEU HB2 5.000 . 5.500 3.028 1.854 3.767 . 0 0 "[ . 1 . 2 . 3 . ]" 1
127 1 22 GLN HA 1 25 LEU HB3 3.900 . 4.300 3.434 2.798 4.387 0.087 11 0 "[ . 1 . 2 . 3 . ]" 1
128 1 22 GLN HA 1 26 GLN H 5.000 . 5.500 4.347 3.880 4.889 . 0 0 "[ . 1 . 2 . 3 . ]" 1
129 1 22 GLN HB2 1 23 GLY H 3.900 . 4.300 3.307 2.519 3.730 . 0 0 "[ . 1 . 2 . 3 . ]" 1
130 1 22 GLN HB3 1 23 GLY H 3.900 . 4.300 2.699 2.300 3.593 . 0 0 "[ . 1 . 2 . 3 . ]" 1
131 1 23 GLY QA 1 24 LEU H 2.800 . 4.100 2.732 2.624 2.774 . 0 0 "[ . 1 . 2 . 3 . ]" 1
132 1 23 GLY QA 1 25 LEU H 5.000 . 6.500 4.076 3.747 4.324 . 0 0 "[ . 1 . 2 . 3 . ]" 1
133 1 23 GLY QA 1 26 GLN H 3.900 . 5.300 3.404 3.162 3.716 . 0 0 "[ . 1 . 2 . 3 . ]" 1
134 1 23 GLY QA 1 26 GLN HB2 3.900 . 5.300 2.979 2.116 4.395 . 0 0 "[ . 1 . 2 . 3 . ]" 1
135 1 23 GLY QA 1 26 GLN HB3 3.900 . 5.300 3.419 2.456 4.543 . 0 0 "[ . 1 . 2 . 3 . ]" 1
136 1 23 GLY QA 1 27 GLN H 5.000 . 6.500 4.180 3.713 5.831 . 0 0 "[ . 1 . 2 . 3 . ]" 1
137 1 24 LEU H 1 25 LEU H 2.800 . 3.100 2.715 2.502 2.842 . 0 0 "[ . 1 . 2 . 3 . ]" 1
138 1 24 LEU H 1 26 GLN H 5.000 . 5.500 4.200 4.043 4.518 . 0 0 "[ . 1 . 2 . 3 . ]" 1
139 1 24 LEU HA 1 25 LEU H 5.000 . 5.500 3.571 3.523 3.594 . 0 0 "[ . 1 . 2 . 3 . ]" 1
140 1 24 LEU HA 1 27 GLN H 3.900 . 4.300 3.595 3.314 4.159 . 0 0 "[ . 1 . 2 . 3 . ]" 1
141 1 24 LEU HA 1 27 GLN QB 3.900 . 5.300 2.907 2.281 4.418 . 0 0 "[ . 1 . 2 . 3 . ]" 1
142 1 24 LEU HA 1 28 ALA H 5.000 . 5.500 4.328 3.304 5.192 . 0 0 "[ . 1 . 2 . 3 . ]" 1
143 1 24 LEU HB2 1 25 LEU H 3.900 . 4.300 3.207 2.506 3.942 . 0 0 "[ . 1 . 2 . 3 . ]" 1
144 1 25 LEU H 1 26 GLN H 2.800 . 3.100 2.695 2.485 2.806 . 0 0 "[ . 1 . 2 . 3 . ]" 1
145 1 25 LEU H 1 27 GLN H 5.000 . 5.500 4.249 3.956 4.933 . 0 0 "[ . 1 . 2 . 3 . ]" 1
146 1 25 LEU HA 1 26 GLN H 3.900 . 4.300 3.567 3.495 3.589 . 0 0 "[ . 1 . 2 . 3 . ]" 1
147 1 25 LEU HA 1 28 ALA H 5.000 . 5.500 3.493 3.063 4.307 . 0 0 "[ . 1 . 2 . 3 . ]" 1
148 1 25 LEU HA 1 28 ALA MB 5.000 . 6.500 2.579 1.939 3.827 . 0 0 "[ . 1 . 2 . 3 . ]" 1
149 1 25 LEU HB2 1 26 GLN H 3.900 . 4.300 3.408 2.718 3.947 . 0 0 "[ . 1 . 2 . 3 . ]" 1
150 1 25 LEU HB3 1 26 GLN H 3.900 . 4.300 2.783 2.363 3.611 . 0 0 "[ . 1 . 2 . 3 . ]" 1
151 1 26 GLN H 1 27 GLN H 2.800 . 3.100 2.704 2.456 2.965 . 0 0 "[ . 1 . 2 . 3 . ]" 1
152 1 26 GLN H 1 28 ALA H 5.000 . 5.500 4.109 3.950 4.481 . 0 0 "[ . 1 . 2 . 3 . ]" 1
153 1 26 GLN HA 1 27 GLN H 3.900 . 4.300 3.571 3.499 3.600 . 0 0 "[ . 1 . 2 . 3 . ]" 1
154 1 26 GLN HA 1 28 ALA H 5.000 . 5.500 4.412 3.743 4.736 . 0 0 "[ . 1 . 2 . 3 . ]" 1
155 1 26 GLN HA 1 29 SER H 3.900 . 4.300 3.636 3.332 4.158 . 0 0 "[ . 1 . 2 . 3 . ]" 1
156 1 26 GLN HA 1 30 LYS H 5.000 . 5.500 4.682 3.651 5.494 . 0 0 "[ . 1 . 2 . 3 . ]" 1
157 1 26 GLN HB2 1 27 GLN H 3.900 . 4.300 3.410 2.588 3.866 . 0 0 "[ . 1 . 2 . 3 . ]" 1
158 1 26 GLN HB3 1 27 GLN H 3.900 . 4.300 2.751 2.254 3.850 . 0 0 "[ . 1 . 2 . 3 . ]" 1
159 1 27 GLN H 1 28 ALA H 3.900 . 4.300 2.596 2.361 2.818 . 0 0 "[ . 1 . 2 . 3 . ]" 1
160 1 27 GLN HA 1 28 ALA H 2.800 . 3.100 3.536 3.493 3.572 0.472 21 0 "[ . 1 . 2 . 3 . ]" 1
161 1 27 GLN HA 1 30 LYS H 3.900 . 4.300 3.667 2.928 4.426 0.126 33 0 "[ . 1 . 2 . 3 . ]" 1
162 1 27 GLN QB 1 28 ALA H 3.900 . 5.300 2.685 2.394 3.541 . 0 0 "[ . 1 . 2 . 3 . ]" 1
163 1 28 ALA H 1 29 SER H 3.900 . 4.300 2.626 2.420 2.817 . 0 0 "[ . 1 . 2 . 3 . ]" 1
164 1 28 ALA HA 1 29 SER H 2.800 . 3.100 3.513 3.271 3.566 0.466 16 0 "[ . 1 . 2 . 3 . ]" 1
165 1 28 ALA HA 1 30 LYS H 5.000 . 5.500 4.419 3.633 5.168 . 0 0 "[ . 1 . 2 . 3 . ]" 1
166 1 28 ALA HA 1 31 GLN H 3.900 . 4.300 3.666 3.254 4.417 0.117 35 0 "[ . 1 . 2 . 3 . ]" 1
167 1 28 ALA HA 1 31 GLN QB 3.900 . 5.300 3.026 1.958 4.808 . 0 0 "[ . 1 . 2 . 3 . ]" 1
168 1 28 ALA MB 1 29 SER H 2.800 . 4.100 2.669 2.367 3.378 . 0 0 "[ . 1 . 2 . 3 . ]" 1
169 1 29 SER H 1 30 LYS H 3.900 . 4.300 2.653 2.234 2.857 . 0 0 "[ . 1 . 2 . 3 . ]" 1
170 1 29 SER HA 1 30 LYS H 3.900 . 4.300 3.563 3.440 3.605 . 0 0 "[ . 1 . 2 . 3 . ]" 1
171 1 29 SER HA 1 32 ALA H 5.000 . 5.500 3.600 2.942 4.171 . 0 0 "[ . 1 . 2 . 3 . ]" 1
172 1 29 SER HA 1 32 ALA MB 3.900 . 5.300 2.910 1.961 4.378 . 0 0 "[ . 1 . 2 . 3 . ]" 1
173 1 29 SER HB2 1 30 LYS H 5.000 . 5.500 3.399 2.253 4.100 . 0 0 "[ . 1 . 2 . 3 . ]" 1
174 1 29 SER HB3 1 30 LYS H 5.000 . 5.500 3.157 2.174 4.094 . 0 0 "[ . 1 . 2 . 3 . ]" 1
175 1 30 LYS H 1 31 GLN H 2.800 . 3.100 2.702 2.492 3.000 . 0 0 "[ . 1 . 2 . 3 . ]" 1
176 1 30 LYS HA 1 33 GLN HB2 3.900 . 4.300 3.165 2.321 4.319 0.019 2 0 "[ . 1 . 2 . 3 . ]" 1
177 1 30 LYS HA 1 33 GLN HB3 3.900 . 4.300 3.776 2.026 4.375 0.075 1 0 "[ . 1 . 2 . 3 . ]" 1
178 1 30 LYS QB 1 31 GLN H 5.000 . 6.500 2.608 2.291 3.599 . 0 0 "[ . 1 . 2 . 3 . ]" 1
179 1 31 GLN HA 1 34 ASP QB 5.000 . 6.500 3.845 2.243 5.949 . 0 0 "[ . 1 . 2 . 3 . ]" 1
180 1 31 GLN QB 1 32 ALA H 2.800 . 4.100 2.754 2.339 3.666 . 0 0 "[ . 1 . 2 . 3 . ]" 1
181 1 32 ALA H 1 33 GLN H 2.800 . 3.100 2.521 2.297 2.774 . 0 0 "[ . 1 . 2 . 3 . ]" 1
182 1 32 ALA HA 1 33 GLN H 3.900 . 4.300 3.530 3.368 3.603 . 0 0 "[ . 1 . 2 . 3 . ]" 1
183 1 32 ALA MB 1 33 GLN H 3.900 . 5.300 2.704 2.387 3.235 . 0 0 "[ . 1 . 2 . 3 . ]" 1
184 1 33 GLN H 1 34 ASP H 2.800 . 3.100 2.626 2.308 2.913 . 0 0 "[ . 1 . 2 . 3 . ]" 1
185 1 33 GLN HA 1 34 ASP H 3.900 . 4.300 3.409 3.004 3.616 . 0 0 "[ . 1 . 2 . 3 . ]" 1
186 1 33 GLN HB2 1 34 ASP H 3.900 . 4.300 3.556 2.355 4.388 0.088 7 0 "[ . 1 . 2 . 3 . ]" 1
187 1 33 GLN HB3 1 34 ASP H 3.900 . 4.300 3.392 2.276 4.424 0.124 10 0 "[ . 1 . 2 . 3 . ]" 1
188 1 34 ASP H 1 35 ILE H 2.800 . 3.100 2.791 2.188 3.514 0.414 37 0 "[ . 1 . 2 . 3 . ]" 1
189 1 34 ASP HA 1 35 ILE H 5.000 . 5.500 3.243 2.386 3.612 . 0 0 "[ . 1 . 2 . 3 . ]" 1
190 1 34 ASP QB 1 35 ILE H 5.000 . 6.500 3.146 1.792 4.093 0.008 6 0 "[ . 1 . 2 . 3 . ]" 1
191 1 35 ILE H 1 36 GLN H 2.800 . 3.100 2.862 1.870 3.425 0.325 2 0 "[ . 1 . 2 . 3 . ]" 1
192 1 35 ILE HA 1 36 GLN H 2.800 . 3.100 2.891 2.383 3.570 0.470 22 0 "[ . 1 . 2 . 3 . ]" 1
193 1 36 GLN H 1 37 PRO HD2 5.000 . 5.500 4.752 3.763 5.098 . 0 0 "[ . 1 . 2 . 3 . ]" 1
194 1 36 GLN H 1 37 PRO HD3 5.000 . 5.500 4.365 2.717 5.032 . 0 0 "[ . 1 . 2 . 3 . ]" 1
195 1 36 GLN HA 1 37 PRO HD2 3.900 . 4.300 2.282 1.990 2.887 . 0 0 "[ . 1 . 2 . 3 . ]" 1
196 1 36 GLN HA 1 37 PRO HD3 3.900 . 4.300 2.361 2.013 2.994 . 0 0 "[ . 1 . 2 . 3 . ]" 1
197 1 37 PRO HA 1 38 ALA H 3.900 . 4.300 2.606 2.219 3.580 . 0 0 "[ . 1 . 2 . 3 . ]" 1
198 1 37 PRO HD2 1 38 ALA H 5.000 . 5.500 4.759 2.562 5.603 0.103 19 0 "[ . 1 . 2 . 3 . ]" 1
199 1 37 PRO HD3 1 38 ALA H 5.000 . 5.500 5.155 3.816 5.688 0.188 31 0 "[ . 1 . 2 . 3 . ]" 1
200 1 39 MET HA 1 40 GLN H 5.000 . 5.500 3.537 3.140 3.601 . 0 0 "[ . 1 . 2 . 3 . ]" 1
stop_
save_
Contact the webmaster for help, if required. Wednesday, May 29, 2024 10:11:26 AM GMT (wattos1)