NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
618221 |
5tbr   |
30179 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5tbr
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 157
_Distance_constraint_stats_list.Viol_count 929
_Distance_constraint_stats_list.Viol_total 3130.933
_Distance_constraint_stats_list.Viol_max 0.888
_Distance_constraint_stats_list.Viol_rms 0.1456
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0499
_Distance_constraint_stats_list.Viol_average_violations_only 0.1685
_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 CGU 3.524 0.083 6 0 "[ . 1 . 2]"
1 4 CGU 11.072 0.290 4 0 "[ . 1 . 2]"
1 5 LEU 12.380 0.838 14 4 "[ -. 1* +* 2]"
1 6 ALA 21.306 0.883 19 20 [*******-**********+*]
1 7 CGU 8.822 0.403 20 0 "[ . 1 . 2]"
1 8 LYS 9.247 0.572 10 4 "[ - + * . *2]"
1 9 ALA 2.003 0.104 16 0 "[ . 1 . 2]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 CGU 5.243 0.244 8 0 "[ . 1 . 2]"
1 12 PHE 27.189 0.857 10 16 "[* **** **+ ******- *]"
1 13 ALA 34.834 0.888 8 20 [*******+*****-******]
1 14 ARG 40.422 0.814 6 20 [**-**+**************]
1 15 CGU 15.025 0.573 18 10 "[* -** * *1* * . *+ 2]"
1 16 LEU 6.077 0.822 10 6 "[- . **+ * .* 2]"
1 17 ALA 7.541 0.558 19 5 "[ . **-* . +2]"
1 18 ASN 8.236 0.558 19 5 "[ . **-* . +2]"
1 19 TYR 0.183 0.035 20 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 CGU H 1 4 CGU H 4.000 . 4.500 2.160 1.994 2.393 0.006 6 0 "[ . 1 . 2]" 1
2 1 3 CGU HA 1 3 CGU HB2 3.000 2.500 4.000 3.037 3.035 3.040 . 0 0 "[ . 1 . 2]" 1
3 1 3 CGU HA 1 3 CGU HB3 3.000 2.500 4.000 2.476 2.471 2.481 0.029 6 0 "[ . 1 . 2]" 1
4 1 3 CGU HA 1 3 CGU HG 3.500 3.000 4.000 3.025 2.970 3.090 0.030 17 0 "[ . 1 . 2]" 1
5 1 3 CGU HA 1 4 CGU H 3.500 3.000 4.000 3.472 3.455 3.488 . 0 0 "[ . 1 . 2]" 1
6 1 3 CGU HA 1 5 LEU H 4.000 3.000 4.500 4.024 3.878 4.302 . 0 0 "[ . 1 . 2]" 1
7 1 3 CGU HA 1 6 ALA H 4.000 3.000 4.500 3.393 3.211 3.508 . 0 0 "[ . 1 . 2]" 1
8 1 3 CGU HA 1 7 CGU H 4.000 3.000 4.500 4.478 4.366 4.526 0.026 13 0 "[ . 1 . 2]" 1
9 1 3 CGU HB2 1 4 CGU H 3.500 3.000 4.000 2.966 2.936 2.981 0.064 19 0 "[ . 1 . 2]" 1
10 1 3 CGU HB3 1 3 CGU HG 2.500 . 3.500 3.034 3.033 3.037 . 0 0 "[ . 1 . 2]" 1
11 1 3 CGU HB3 1 4 CGU H 3.500 3.000 4.000 4.073 4.061 4.083 0.083 6 0 "[ . 1 . 2]" 1
12 1 3 CGU HG 1 4 CGU H 3.500 3.000 4.000 4.026 4.010 4.038 0.038 1 0 "[ . 1 . 2]" 1
13 1 3 CGU HG 1 4 CGU HA 3.500 3.000 4.000 3.771 3.749 3.828 . 0 0 "[ . 1 . 2]" 1
14 1 3 CGU HG 1 7 CGU H 4.000 3.000 4.500 4.472 4.228 4.522 0.022 18 0 "[ . 1 . 2]" 1
15 1 4 CGU H 1 4 CGU HA 2.500 . 3.000 2.925 2.841 2.946 . 0 0 "[ . 1 . 2]" 1
16 1 4 CGU H 1 4 CGU HB2 3.000 2.500 4.000 3.517 2.402 3.668 0.098 4 0 "[ . 1 . 2]" 1
17 1 4 CGU H 1 4 CGU HB3 2.500 . 3.500 2.658 2.081 2.758 . 0 0 "[ . 1 . 2]" 1
18 1 4 CGU H 1 4 CGU HG 3.500 3.000 4.000 3.121 2.907 4.290 0.290 4 0 "[ . 1 . 2]" 1
19 1 4 CGU H 1 5 LEU H 2.500 . 3.000 2.354 2.264 2.698 . 0 0 "[ . 1 . 2]" 1
20 1 4 CGU HA 1 4 CGU HB2 2.500 . 3.500 2.476 2.372 3.043 . 0 0 "[ . 1 . 2]" 1
21 1 4 CGU HA 1 4 CGU HB3 3.000 2.500 4.000 2.964 2.438 3.040 0.062 4 0 "[ . 1 . 2]" 1
22 1 4 CGU HA 1 4 CGU HG 2.500 . 3.000 2.558 2.160 3.055 0.055 7 0 "[ . 1 . 2]" 1
23 1 4 CGU HA 1 5 LEU H 3.500 3.000 4.000 3.456 3.424 3.525 . 0 0 "[ . 1 . 2]" 1
24 1 4 CGU HA 1 6 ALA H 4.000 3.000 4.500 4.023 3.839 4.343 . 0 0 "[ . 1 . 2]" 1
25 1 4 CGU HA 1 7 CGU H 3.500 3.000 4.000 3.325 3.225 3.434 . 0 0 "[ . 1 . 2]" 1
26 1 4 CGU HA 1 7 CGU HB2 3.500 3.000 4.500 4.546 4.512 4.573 0.073 18 0 "[ . 1 . 2]" 1
27 1 4 CGU HA 1 7 CGU HB3 3.500 3.000 4.500 2.941 2.915 2.977 0.085 11 0 "[ . 1 . 2]" 1
28 1 4 CGU HA 1 7 CGU HG 3.500 3.000 4.000 3.357 3.087 3.625 . 0 0 "[ . 1 . 2]" 1
29 1 4 CGU HB2 1 4 CGU HG 2.500 . 3.500 2.551 2.458 2.635 . 0 0 "[ . 1 . 2]" 1
30 1 4 CGU HB2 1 5 LEU H 3.500 3.000 4.500 3.916 2.925 4.109 0.075 19 0 "[ . 1 . 2]" 1
31 1 4 CGU HB3 1 4 CGU HG 3.500 3.000 4.500 3.013 2.991 3.021 0.009 3 0 "[ . 1 . 2]" 1
32 1 4 CGU HB3 1 5 LEU H 3.500 3.000 4.500 3.080 2.930 4.156 0.070 20 0 "[ . 1 . 2]" 1
33 1 4 CGU HG 1 5 LEU H 4.000 3.000 4.500 4.587 3.782 4.788 0.288 19 0 "[ . 1 . 2]" 1
34 1 5 LEU H 1 5 LEU HA 2.500 . 3.000 2.906 2.845 2.924 . 0 0 "[ . 1 . 2]" 1
35 1 5 LEU H 1 5 LEU HB2 2.500 . 3.500 2.698 2.398 3.015 . 0 0 "[ . 1 . 2]" 1
36 1 5 LEU H 1 5 LEU HB3 3.000 2.500 4.000 2.909 2.158 3.620 0.342 19 0 "[ . 1 . 2]" 1
37 1 5 LEU H 1 5 LEU HG 3.500 3.000 4.000 3.819 3.353 4.148 0.148 3 0 "[ . 1 . 2]" 1
38 1 5 LEU H 1 6 ALA H 2.500 . 3.000 2.452 2.335 2.725 . 0 0 "[ . 1 . 2]" 1
39 1 5 LEU H 1 8 LYS H 4.500 4.000 5.000 4.901 4.826 4.989 . 0 0 "[ . 1 . 2]" 1
40 1 5 LEU HA 1 5 LEU HB2 2.500 . 3.500 2.698 2.328 3.038 . 0 0 "[ . 1 . 2]" 1
41 1 5 LEU HA 1 5 LEU HB3 3.000 2.500 4.000 2.762 2.479 3.026 0.021 1 0 "[ . 1 . 2]" 1
42 1 5 LEU HA 1 5 LEU MD2 3.500 3.000 4.000 3.517 2.162 3.926 0.838 14 4 "[ -. 1* +* 2]" 1
43 1 5 LEU HA 1 6 ALA H 3.500 2.500 4.000 3.489 3.456 3.552 . 0 0 "[ . 1 . 2]" 1
44 1 5 LEU HA 1 7 CGU H 4.000 3.000 4.500 4.372 4.104 4.521 0.021 11 0 "[ . 1 . 2]" 1
45 1 5 LEU HA 1 8 LYS H 3.500 3.000 4.000 3.562 3.399 3.682 . 0 0 "[ . 1 . 2]" 1
46 1 5 LEU HA 1 8 LYS HB2 3.500 3.000 4.500 2.976 2.946 3.012 0.054 17 0 "[ . 1 . 2]" 1
47 1 5 LEU HB3 1 6 ALA H 3.500 3.000 4.500 3.426 2.821 3.972 0.179 2 0 "[ . 1 . 2]" 1
48 1 6 ALA H 1 6 ALA HA 2.500 . 3.000 2.933 2.888 2.953 . 0 0 "[ . 1 . 2]" 1
49 1 6 ALA H 1 6 ALA MB 3.500 3.000 4.500 2.216 2.117 2.335 0.883 19 20 [*******-**********+*] 1
50 1 6 ALA H 1 7 CGU H 2.500 . 3.000 2.440 2.326 2.606 . 0 0 "[ . 1 . 2]" 1
51 1 6 ALA MB 1 7 CGU H 3.500 3.000 4.500 2.757 2.597 2.934 0.403 20 0 "[ . 1 . 2]" 1
52 1 6 ALA MB 1 7 CGU HG 3.500 3.000 4.500 3.289 3.133 3.424 . 0 0 "[ . 1 . 2]" 1
53 1 7 CGU H 1 7 CGU HA 2.500 . 3.000 2.889 2.859 2.927 . 0 0 "[ . 1 . 2]" 1
54 1 7 CGU H 1 7 CGU HB2 3.000 2.500 4.000 3.635 3.624 3.646 . 0 0 "[ . 1 . 2]" 1
55 1 7 CGU H 1 7 CGU HB3 3.000 2.500 4.000 2.530 2.469 2.587 0.031 4 0 "[ . 1 . 2]" 1
56 1 7 CGU H 1 7 CGU HG 2.500 . 3.000 2.154 2.026 2.381 . 0 0 "[ . 1 . 2]" 1
57 1 7 CGU H 1 8 LYS H 2.500 . 3.000 2.566 2.435 2.666 . 0 0 "[ . 1 . 2]" 1
58 1 7 CGU HA 1 7 CGU HB2 2.500 . 3.500 2.472 2.442 2.497 . 0 0 "[ . 1 . 2]" 1
59 1 7 CGU HA 1 7 CGU HG 2.500 . 3.000 2.980 2.846 3.016 0.016 8 0 "[ . 1 . 2]" 1
60 1 7 CGU HB2 1 7 CGU HG 2.500 . 3.500 3.029 3.024 3.033 . 0 0 "[ . 1 . 2]" 1
61 1 7 CGU HB2 1 8 LYS H 3.500 3.000 4.500 3.936 3.880 3.982 . 0 0 "[ . 1 . 2]" 1
62 1 7 CGU HB3 1 7 CGU HG 2.500 . 3.500 2.510 2.479 2.558 . 0 0 "[ . 1 . 2]" 1
63 1 7 CGU HB3 1 8 LYS H 3.500 3.000 4.500 2.932 2.897 2.978 0.103 14 0 "[ . 1 . 2]" 1
64 1 7 CGU HG 1 8 LYS H 4.000 3.000 4.500 4.320 4.215 4.406 . 0 0 "[ . 1 . 2]" 1
65 1 8 LYS H 1 8 LYS HA 2.500 . 3.000 2.923 2.910 2.938 . 0 0 "[ . 1 . 2]" 1
66 1 8 LYS H 1 8 LYS HB2 2.500 . 3.000 2.297 2.155 2.438 . 0 0 "[ . 1 . 2]" 1
67 1 8 LYS H 1 8 LYS HB3 3.500 3.000 4.000 3.569 3.440 3.648 . 0 0 "[ . 1 . 2]" 1
68 1 8 LYS H 1 8 LYS QG 3.500 3.000 4.000 2.871 2.428 3.699 0.572 10 4 "[ - + * . *2]" 1
69 1 8 LYS H 1 9 ALA H 3.000 2.500 3.500 2.456 2.412 2.499 0.088 11 0 "[ . 1 . 2]" 1
70 1 8 LYS HA 1 8 LYS HB2 2.500 . 3.000 3.004 2.947 3.028 0.028 13 0 "[ . 1 . 2]" 1
71 1 8 LYS HA 1 8 LYS HB3 3.000 2.500 3.500 2.607 2.507 2.747 . 0 0 "[ . 1 . 2]" 1
72 1 8 LYS HA 1 11 CGU H 3.500 3.000 4.000 3.670 3.487 3.956 . 0 0 "[ . 1 . 2]" 1
73 1 8 LYS HA 1 11 CGU HB3 3.500 3.000 4.500 4.137 3.743 4.502 0.002 14 0 "[ . 1 . 2]" 1
74 1 8 LYS HA 1 12 PHE H 4.000 3.000 4.500 4.025 3.645 4.444 . 0 0 "[ . 1 . 2]" 1
75 1 8 LYS HB2 1 9 ALA H 4.000 3.000 4.500 2.965 2.896 2.990 0.104 16 0 "[ . 1 . 2]" 1
76 1 8 LYS HB3 1 9 ALA H 4.000 3.000 4.500 3.629 3.184 3.895 . 0 0 "[ . 1 . 2]" 1
77 1 9 ALA HA 1 12 PHE H 4.000 3.000 4.500 3.505 3.291 3.682 . 0 0 "[ . 1 . 2]" 1
78 1 9 ALA HA 1 12 PHE HB2 3.500 2.500 4.000 3.417 2.929 3.998 . 0 0 "[ . 1 . 2]" 1
79 1 9 ALA HA 1 12 PHE HB3 3.500 3.000 4.500 3.863 2.968 4.552 0.052 5 0 "[ . 1 . 2]" 1
80 1 10 ALA H 1 10 ALA HA 2.500 . 3.000 2.858 2.828 2.891 . 0 0 "[ . 1 . 2]" 1
81 1 10 ALA H 1 10 ALA MB 2.500 . 3.500 2.187 2.054 2.257 . 0 0 "[ . 1 . 2]" 1
82 1 10 ALA HA 1 13 ALA H 4.000 3.000 4.500 3.702 3.579 3.848 . 0 0 "[ . 1 . 2]" 1
83 1 11 CGU H 1 11 CGU HA 2.500 . 3.000 2.916 2.872 2.956 . 0 0 "[ . 1 . 2]" 1
84 1 11 CGU H 1 11 CGU HB3 3.500 3.000 4.000 2.908 2.789 2.962 0.211 12 0 "[ . 1 . 2]" 1
85 1 11 CGU H 1 11 CGU HG 4.000 3.000 4.500 4.465 4.428 4.498 . 0 0 "[ . 1 . 2]" 1
86 1 11 CGU H 1 12 PHE H 2.500 . 3.000 2.657 2.508 2.780 . 0 0 "[ . 1 . 2]" 1
87 1 11 CGU HA 1 11 CGU HB3 3.000 2.500 3.500 2.405 2.368 2.486 0.132 2 0 "[ . 1 . 2]" 1
88 1 11 CGU HA 1 12 PHE H 4.000 3.000 4.500 3.594 3.579 3.613 . 0 0 "[ . 1 . 2]" 1
89 1 11 CGU HA 1 14 ARG H 4.000 3.000 4.500 3.105 3.005 3.202 . 0 0 "[ . 1 . 2]" 1
90 1 11 CGU HA 1 14 ARG QB 4.000 3.000 5.000 3.075 2.756 3.331 0.244 8 0 "[ . 1 . 2]" 1
91 1 11 CGU HA 1 15 CGU H 4.000 3.000 4.500 4.492 4.388 4.533 0.033 11 0 "[ . 1 . 2]" 1
92 1 11 CGU HB3 1 12 PHE H 3.500 3.000 4.000 3.890 3.799 3.988 . 0 0 "[ . 1 . 2]" 1
93 1 11 CGU HG 1 12 PHE HA 3.500 3.000 4.000 3.976 3.622 4.043 0.043 20 0 "[ . 1 . 2]" 1
94 1 11 CGU HG 1 14 ARG QB 3.500 3.000 4.000 3.246 3.170 3.378 . 0 0 "[ . 1 . 2]" 1
95 1 12 PHE H 1 12 PHE HA 3.500 3.000 4.000 2.828 2.815 2.846 0.185 5 0 "[ . 1 . 2]" 1
96 1 12 PHE H 1 12 PHE HB2 3.500 3.000 4.000 2.851 2.771 2.920 0.229 15 0 "[ . 1 . 2]" 1
97 1 12 PHE H 1 12 PHE HB3 3.500 3.000 4.000 3.261 2.737 3.701 0.263 2 0 "[ . 1 . 2]" 1
98 1 12 PHE H 1 13 ALA H 2.500 . 3.000 2.784 2.712 2.828 . 0 0 "[ . 1 . 2]" 1
99 1 12 PHE HA 1 12 PHE HB2 3.000 2.500 3.500 2.796 2.466 3.066 0.034 3 0 "[ . 1 . 2]" 1
100 1 12 PHE HA 1 12 PHE HB3 3.000 2.500 3.500 2.711 2.399 3.085 0.101 8 0 "[ . 1 . 2]" 1
101 1 12 PHE HA 1 12 PHE QD 3.500 3.000 4.500 2.391 2.143 3.183 0.857 10 16 "[* **** **+ ******- *]" 1
102 1 12 PHE HA 1 13 ALA H 4.000 3.000 4.500 3.501 3.485 3.513 . 0 0 "[ . 1 . 2]" 1
103 1 12 PHE HA 1 15 CGU H 3.500 3.000 4.000 3.527 3.359 3.675 . 0 0 "[ . 1 . 2]" 1
104 1 12 PHE HA 1 15 CGU HB3 3.500 3.000 4.000 3.388 3.159 3.645 . 0 0 "[ . 1 . 2]" 1
105 1 12 PHE HB2 1 12 PHE QD 3.500 2.500 4.500 2.498 2.353 2.729 0.147 19 0 "[ . 1 . 2]" 1
106 1 12 PHE HB2 1 13 ALA H 4.000 3.000 4.500 3.463 2.896 4.144 0.104 16 0 "[ . 1 . 2]" 1
107 1 12 PHE HB3 1 12 PHE QD 3.500 2.500 4.500 2.640 2.331 2.822 0.169 3 0 "[ . 1 . 2]" 1
108 1 12 PHE HB3 1 13 ALA H 4.000 3.000 4.500 3.563 2.919 4.098 0.081 13 0 "[ . 1 . 2]" 1
109 1 13 ALA H 1 13 ALA HA 2.500 . 3.000 2.885 2.864 2.900 . 0 0 "[ . 1 . 2]" 1
110 1 13 ALA H 1 13 ALA MB 3.500 3.000 4.500 2.206 2.112 2.294 0.888 8 20 [*******+*-**********] 1
111 1 13 ALA H 1 14 ARG H 3.500 3.000 4.000 2.849 2.812 2.888 0.188 16 0 "[ . 1 . 2]" 1
112 1 13 ALA H 1 15 CGU H 4.000 3.000 4.500 4.116 3.964 4.222 . 0 0 "[ . 1 . 2]" 1
113 1 13 ALA MB 1 14 ARG H 3.500 3.000 4.500 2.284 2.186 2.431 0.814 6 20 [*****+*******-******] 1
114 1 14 ARG H 1 14 ARG HA 2.500 . 3.000 2.772 2.763 2.778 . 0 0 "[ . 1 . 2]" 1
115 1 14 ARG H 1 14 ARG QB 3.500 3.000 4.500 2.522 2.289 2.688 0.711 6 7 "[ * .+ * 1 * * -*]" 1
116 1 14 ARG H 1 15 CGU H 3.500 3.000 4.000 2.946 2.922 2.977 0.078 12 0 "[ . 1 . 2]" 1
117 1 14 ARG HA 1 14 ARG QB 3.000 2.500 4.000 2.394 2.324 2.497 0.176 18 0 "[ . 1 . 2]" 1
118 1 14 ARG HA 1 14 ARG HG2 3.500 3.000 4.000 3.234 2.978 3.615 0.022 3 0 "[ . 1 . 2]" 1
119 1 14 ARG HA 1 15 CGU H 4.000 3.000 4.500 3.568 3.540 3.581 . 0 0 "[ . 1 . 2]" 1
120 1 14 ARG HA 1 17 ALA H 4.000 3.000 4.500 3.757 3.344 4.136 . 0 0 "[ . 1 . 2]" 1
121 1 14 ARG HA 1 17 ALA MB 3.500 3.000 4.500 3.195 2.558 3.595 0.442 13 0 "[ . 1 . 2]" 1
122 1 14 ARG QB 1 15 CGU H 3.500 3.000 4.500 2.570 2.427 2.828 0.573 18 10 "[* -** * *1* * . *+ 2]" 1
123 1 15 CGU H 1 15 CGU HA 3.500 3.000 4.000 2.921 2.847 2.962 0.153 13 0 "[ . 1 . 2]" 1
124 1 15 CGU H 1 15 CGU HB2 3.500 3.000 4.000 3.641 3.617 3.671 . 0 0 "[ . 1 . 2]" 1
125 1 15 CGU H 1 15 CGU HB3 3.500 3.000 4.000 2.909 2.885 2.936 0.115 11 0 "[ . 1 . 2]" 1
126 1 15 CGU H 1 15 CGU HG 2.500 . 3.000 1.940 1.918 1.972 0.082 10 0 "[ . 1 . 2]" 1
127 1 15 CGU HA 1 15 CGU HB2 2.500 . 3.000 2.324 2.306 2.361 . 0 0 "[ . 1 . 2]" 1
128 1 15 CGU HA 1 15 CGU HB3 3.000 2.500 3.500 3.007 2.992 3.028 . 0 0 "[ . 1 . 2]" 1
129 1 15 CGU HA 1 15 CGU HG 3.500 3.000 4.000 3.540 3.498 3.594 . 0 0 "[ . 1 . 2]" 1
130 1 15 CGU HA 1 18 ASN HB2 3.500 3.000 4.500 3.232 2.996 3.576 0.004 11 0 "[ . 1 . 2]" 1
131 1 15 CGU HA 1 18 ASN HB3 4.000 3.000 4.500 4.431 4.219 4.533 0.033 16 0 "[ . 1 . 2]" 1
132 1 15 CGU HA 1 18 ASN HD22 4.000 3.000 4.500 3.516 2.993 3.960 0.007 5 0 "[ . 1 . 2]" 1
133 1 15 CGU HB2 1 15 CGU HG 2.500 . 3.000 3.021 3.016 3.026 0.026 12 0 "[ . 1 . 2]" 1
134 1 15 CGU HB3 1 15 CGU HG 2.500 . 3.000 2.394 2.375 2.414 . 0 0 "[ . 1 . 2]" 1
135 1 16 LEU HA 1 16 LEU MD2 3.500 3.000 4.000 2.728 2.178 3.280 0.822 10 6 "[- . **+ * .* 2]" 1
136 1 16 LEU HA 1 17 ALA H 4.000 3.000 4.500 3.536 3.478 3.584 . 0 0 "[ . 1 . 2]" 1
137 1 16 LEU HA 1 19 TYR H 3.500 3.000 4.000 3.798 3.447 4.035 0.035 20 0 "[ . 1 . 2]" 1
138 1 16 LEU HA 1 19 TYR HB2 4.000 3.000 4.500 3.694 3.148 4.511 0.011 20 0 "[ . 1 . 2]" 1
139 1 16 LEU HA 1 19 TYR HB3 4.000 3.000 4.500 3.127 2.975 3.638 0.025 3 0 "[ . 1 . 2]" 1
140 1 16 LEU HB2 1 17 ALA H 3.500 3.000 4.000 3.642 3.048 3.994 . 0 0 "[ . 1 . 2]" 1
141 1 17 ALA H 1 17 ALA HA 2.500 . 3.000 2.888 2.809 2.933 . 0 0 "[ . 1 . 2]" 1
142 1 17 ALA H 1 17 ALA MB 2.500 . 3.500 2.188 2.061 2.275 . 0 0 "[ . 1 . 2]" 1
143 1 17 ALA HA 1 17 ALA MB 2.500 . 3.500 2.134 2.110 2.150 . 0 0 "[ . 1 . 2]" 1
144 1 17 ALA HA 1 18 ASN H 3.500 3.000 4.000 3.511 3.488 3.535 . 0 0 "[ . 1 . 2]" 1
145 1 17 ALA MB 1 18 ASN H 2.500 . 3.500 2.766 2.639 2.889 . 0 0 "[ . 1 . 2]" 1
146 1 17 ALA MB 1 18 ASN HD22 3.500 3.000 4.500 2.664 2.442 3.028 0.558 19 5 "[ . **-* . +2]" 1
147 1 18 ASN H 1 18 ASN HA 3.500 3.000 4.000 2.932 2.896 2.958 0.104 3 0 "[ . 1 . 2]" 1
148 1 18 ASN H 1 18 ASN HB2 2.500 . 4.000 2.915 2.882 2.937 . 0 0 "[ . 1 . 2]" 1
149 1 18 ASN H 1 18 ASN HB3 3.500 3.000 4.000 3.626 3.593 3.660 . 0 0 "[ . 1 . 2]" 1
150 1 18 ASN HA 1 19 TYR H 3.500 3.000 4.000 3.265 3.133 3.462 . 0 0 "[ . 1 . 2]" 1
151 1 18 ASN HB2 1 18 ASN HD22 3.500 3.000 4.500 4.053 4.034 4.065 . 0 0 "[ . 1 . 2]" 1
152 1 18 ASN HB3 1 18 ASN HD22 3.500 3.000 4.500 3.917 3.895 3.943 . 0 0 "[ . 1 . 2]" 1
153 1 19 TYR H 1 19 TYR HA 2.500 . 3.000 2.950 2.916 2.977 . 0 0 "[ . 1 . 2]" 1
154 1 19 TYR H 1 19 TYR HB2 3.500 3.000 4.000 3.117 2.986 3.615 0.014 19 0 "[ . 1 . 2]" 1
155 1 19 TYR H 1 19 TYR HB3 2.500 . 3.000 2.268 2.224 2.396 . 0 0 "[ . 1 . 2]" 1
156 1 19 TYR HA 1 19 TYR HB2 2.500 . 3.500 2.336 2.318 2.355 . 0 0 "[ . 1 . 2]" 1
157 1 19 TYR HA 1 19 TYR HB3 2.500 . 3.500 2.985 2.622 3.013 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Friday, May 10, 2024 3:36:31 AM GMT (wattos1)