NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
614776 |
5u9v   |
30214 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5u9v
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 213
_Distance_constraint_stats_list.Viol_count 245
_Distance_constraint_stats_list.Viol_total 121.650
_Distance_constraint_stats_list.Viol_max 0.201
_Distance_constraint_stats_list.Viol_rms 0.0237
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0057
_Distance_constraint_stats_list.Viol_average_violations_only 0.0497
_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 0.016 0.012 8 0 "[ . 1]"
1 2 VAL 0.000 0.000 . 0 "[ . 1]"
1 3 VAL 0.027 0.012 8 0 "[ . 1]"
1 4 ASP 0.024 0.012 8 0 "[ . 1]"
1 5 ILE 0.000 0.000 . 0 "[ . 1]"
1 6 LEU 0.218 0.030 4 0 "[ . 1]"
1 7 LYS 4.215 0.130 6 0 "[ . 1]"
1 8 GLY 1.217 0.071 6 0 "[ . 1]"
1 9 ALA 0.651 0.069 4 0 "[ . 1]"
1 10 ALA 0.043 0.015 4 0 "[ . 1]"
1 11 LYS 1.982 0.177 9 0 "[ . 1]"
1 12 ASP 0.089 0.084 8 0 "[ . 1]"
1 13 ILE 0.046 0.014 10 0 "[ . 1]"
1 14 ALA 0.000 0.000 . 0 "[ . 1]"
1 15 GLY 0.000 0.000 . 0 "[ . 1]"
1 16 HIS 0.055 0.014 10 0 "[ . 1]"
1 17 LEU 0.030 0.011 6 0 "[ . 1]"
1 18 ALA 0.150 0.029 7 0 "[ . 1]"
1 19 SER 0.280 0.045 7 0 "[ . 1]"
1 20 LYS 2.634 0.104 9 0 "[ . 1]"
1 21 VAL 2.688 0.201 5 0 "[ . 1]"
1 22 MET 0.049 0.013 3 0 "[ . 1]"
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 HA2 1 2 VAL H 5.000 . 5.000 2.398 2.158 3.577 . 0 0 "[ . 1]" 1
2 1 1 GLY HA2 1 3 VAL H 5.000 . 5.000 4.452 4.048 5.004 0.004 8 0 "[ . 1]" 1
3 1 1 GLY HA3 1 2 VAL H 5.000 . 5.000 3.186 2.611 3.567 . 0 0 "[ . 1]" 1
4 1 1 GLY HA3 1 3 VAL H 5.000 . 5.000 4.518 4.111 5.012 0.012 8 0 "[ . 1]" 1
5 1 2 VAL H 1 2 VAL HB . . 3.400 2.356 2.346 2.365 . 0 0 "[ . 1]" 1
6 1 2 VAL H 1 3 VAL H 5.000 . 5.000 3.001 2.985 3.008 . 0 0 "[ . 1]" 1
7 1 2 VAL HA 1 2 VAL MG1 . . 3.400 2.482 2.473 2.493 . 0 0 "[ . 1]" 1
8 1 2 VAL HA 1 2 VAL MG2 . . 3.400 2.263 2.231 2.279 . 0 0 "[ . 1]" 1
9 1 2 VAL HA 1 3 VAL H 5.000 . 5.000 3.571 3.567 3.573 . 0 0 "[ . 1]" 1
10 1 2 VAL HA 1 4 ASP H 5.000 . 5.000 4.238 4.202 4.269 . 0 0 "[ . 1]" 1
11 1 2 VAL HA 1 5 ILE H 5.000 . 5.000 3.445 3.402 3.485 . 0 0 "[ . 1]" 1
12 1 2 VAL HA 1 5 ILE HB 3.400 . 3.400 2.828 2.817 2.836 . 0 0 "[ . 1]" 1
13 1 2 VAL HA 1 5 ILE MD 5.000 . 5.000 2.279 2.263 2.288 . 0 0 "[ . 1]" 1
14 1 2 VAL HA 1 5 ILE MG 5.000 . 5.000 4.155 4.147 4.162 . 0 0 "[ . 1]" 1
15 1 2 VAL HA 1 6 LEU H 5.000 . 5.000 4.695 4.632 4.752 . 0 0 "[ . 1]" 1
16 1 2 VAL HB 1 3 VAL H 5.000 . 5.000 2.290 2.272 2.316 . 0 0 "[ . 1]" 1
17 1 2 VAL MG1 1 3 VAL H . . 3.400 2.628 2.620 2.636 . 0 0 "[ . 1]" 1
18 1 2 VAL MG2 1 3 VAL H 5.000 . 5.000 3.841 3.829 3.858 . 0 0 "[ . 1]" 1
19 1 3 VAL H 1 3 VAL HB 2.800 . 2.800 2.547 2.524 2.612 . 0 0 "[ . 1]" 1
20 1 3 VAL H 1 4 ASP H . . 3.400 2.772 2.748 2.782 . 0 0 "[ . 1]" 1
21 1 3 VAL HA 1 3 VAL MG1 . . 3.400 2.323 2.272 2.339 . 0 0 "[ . 1]" 1
22 1 3 VAL HA 1 3 VAL MG2 . . 3.400 2.330 2.267 2.389 . 0 0 "[ . 1]" 1
23 1 3 VAL HA 1 4 ASP H 5.000 . 5.000 3.520 3.517 3.524 . 0 0 "[ . 1]" 1
24 1 3 VAL HA 1 5 ILE H 5.000 . 5.000 4.556 4.528 4.574 . 0 0 "[ . 1]" 1
25 1 3 VAL HA 1 6 LEU H 5.000 . 5.000 3.712 3.705 3.720 . 0 0 "[ . 1]" 1
26 1 3 VAL HA 1 6 LEU HB2 5.000 . 5.000 3.911 3.898 3.927 . 0 0 "[ . 1]" 1
27 1 3 VAL HA 1 6 LEU HB3 5.000 . 5.000 4.865 4.857 4.877 . 0 0 "[ . 1]" 1
28 1 3 VAL HA 1 6 LEU HG 5.000 . 5.000 2.327 2.318 2.331 . 0 0 "[ . 1]" 1
29 1 3 VAL HA 1 7 LYS H 5.000 . 5.000 4.997 4.981 5.004 0.004 5 0 "[ . 1]" 1
30 1 3 VAL HB 1 4 ASP H 3.400 . 3.400 2.746 2.723 2.759 . 0 0 "[ . 1]" 1
31 1 3 VAL MG1 1 4 ASP H 5.000 . 5.000 3.549 3.512 3.632 . 0 0 "[ . 1]" 1
32 1 3 VAL MG2 1 4 ASP H 5.000 . 5.000 3.885 3.813 3.910 . 0 0 "[ . 1]" 1
33 1 4 ASP H 1 4 ASP HB3 3.400 . 3.400 2.594 2.498 2.688 . 0 0 "[ . 1]" 1
34 1 4 ASP H 1 5 ILE H 3.400 . 3.400 2.613 2.607 2.619 . 0 0 "[ . 1]" 1
35 1 4 ASP HA 1 5 ILE H 5.000 . 5.000 3.554 3.553 3.556 . 0 0 "[ . 1]" 1
36 1 4 ASP HA 1 6 LEU H 5.000 . 5.000 4.046 3.967 4.167 . 0 0 "[ . 1]" 1
37 1 4 ASP HA 1 7 LYS H 5.000 . 5.000 3.373 3.296 3.453 . 0 0 "[ . 1]" 1
38 1 4 ASP HA 1 7 LYS HB2 5.000 . 5.000 3.623 3.529 3.728 . 0 0 "[ . 1]" 1
39 1 4 ASP HA 1 7 LYS HB3 5.000 . 5.000 4.694 4.657 4.753 . 0 0 "[ . 1]" 1
40 1 4 ASP HA 1 7 LYS HD3 5.000 . 5.000 4.977 4.909 5.012 0.012 8 0 "[ . 1]" 1
41 1 4 ASP HA 1 8 GLY H 5.000 . 5.000 4.437 4.241 4.640 . 0 0 "[ . 1]" 1
42 1 4 ASP HB2 1 5 ILE H 5.000 . 5.000 3.786 3.708 3.863 . 0 0 "[ . 1]" 1
43 1 4 ASP HB3 1 5 ILE H 5.000 . 5.000 2.528 2.507 2.555 . 0 0 "[ . 1]" 1
44 1 5 ILE H 1 5 ILE HB 3.400 . 3.400 2.391 2.371 2.412 . 0 0 "[ . 1]" 1
45 1 5 ILE H 1 5 ILE MD 5.000 . 5.000 3.481 3.449 3.512 . 0 0 "[ . 1]" 1
46 1 5 ILE H 1 5 ILE HG12 5.000 . 5.000 3.629 3.576 3.686 . 0 0 "[ . 1]" 1
47 1 5 ILE H 1 5 ILE HG13 5.000 . 5.000 2.300 2.259 2.344 . 0 0 "[ . 1]" 1
48 1 5 ILE H 1 6 LEU H 5.000 . 5.000 2.787 2.775 2.803 . 0 0 "[ . 1]" 1
49 1 5 ILE HA 1 5 ILE HG12 3.400 . 3.400 2.475 2.460 2.499 . 0 0 "[ . 1]" 1
50 1 5 ILE HA 1 5 ILE MG . . 3.400 2.460 2.443 2.479 . 0 0 "[ . 1]" 1
51 1 5 ILE HA 1 6 LEU H 5.000 . 5.000 3.523 3.511 3.539 . 0 0 "[ . 1]" 1
52 1 5 ILE HA 1 7 LYS H 5.000 . 5.000 4.541 4.486 4.589 . 0 0 "[ . 1]" 1
53 1 5 ILE HB 1 6 LEU H 5.000 . 5.000 2.837 2.775 2.899 . 0 0 "[ . 1]" 1
54 1 5 ILE HG13 1 6 LEU H 5.000 . 5.000 4.534 4.499 4.569 . 0 0 "[ . 1]" 1
55 1 5 ILE MG 1 6 LEU H 5.000 . 5.000 3.328 3.242 3.374 . 0 0 "[ . 1]" 1
56 1 6 LEU H 1 6 LEU HA 2.800 . 2.800 2.817 2.800 2.830 0.030 4 0 "[ . 1]" 1
57 1 6 LEU H 1 6 LEU HB2 3.400 . 3.400 2.818 2.810 2.834 . 0 0 "[ . 1]" 1
58 1 6 LEU H 1 6 LEU MD1 5.000 . 5.000 3.533 3.531 3.536 . 0 0 "[ . 1]" 1
59 1 6 LEU H 1 6 LEU MD2 5.000 . 5.000 2.213 2.162 2.247 . 0 0 "[ . 1]" 1
60 1 6 LEU H 1 6 LEU HG 2.800 . 2.800 1.796 1.793 1.798 0.007 8 0 "[ . 1]" 1
61 1 6 LEU H 1 7 LYS H 5.000 . 5.000 2.719 2.660 2.786 . 0 0 "[ . 1]" 1
62 1 6 LEU HA 1 6 LEU MD2 . . 3.400 2.144 2.134 2.155 . 0 0 "[ . 1]" 1
63 1 6 LEU HA 1 7 LYS H 5.000 . 5.000 3.545 3.542 3.550 . 0 0 "[ . 1]" 1
64 1 6 LEU HA 1 10 ALA H 5.000 . 5.000 4.879 4.699 4.987 . 0 0 "[ . 1]" 1
65 1 6 LEU HB2 1 7 LYS H 5.000 . 5.000 2.381 2.320 2.434 . 0 0 "[ . 1]" 1
66 1 6 LEU MD2 1 7 LYS H 5.000 . 5.000 4.187 4.183 4.192 . 0 0 "[ . 1]" 1
67 1 7 LYS H 1 7 LYS HB3 3.400 . 3.400 3.527 3.520 3.530 0.130 6 0 "[ . 1]" 1
68 1 7 LYS H 1 7 LYS HD3 3.400 . 3.400 3.382 3.297 3.407 0.007 4 0 "[ . 1]" 1
69 1 7 LYS H 1 8 GLY H 5.000 . 5.000 2.854 2.821 2.904 . 0 0 "[ . 1]" 1
70 1 7 LYS HA 1 7 LYS HD3 3.400 2.400 3.400 2.352 2.347 2.356 0.053 2 0 "[ . 1]" 1
71 1 7 LYS HA 1 10 ALA H 5.000 . 5.000 3.203 3.153 3.236 . 0 0 "[ . 1]" 1
72 1 7 LYS HA 1 11 LYS H 5.000 . 5.000 4.824 4.102 5.013 0.013 7 0 "[ . 1]" 1
73 1 7 LYS HB2 1 7 LYS HD3 3.400 2.400 3.400 3.517 3.513 3.519 0.119 1 0 "[ . 1]" 1
74 1 7 LYS HB2 1 8 GLY H 5.000 . 5.000 2.314 2.251 2.462 . 0 0 "[ . 1]" 1
75 1 7 LYS HB3 1 7 LYS HD3 . 2.400 2.800 2.339 2.330 2.350 0.070 7 0 "[ . 1]" 1
76 1 7 LYS HB3 1 7 LYS HE3 5.000 . 5.000 4.530 4.497 4.577 . 0 0 "[ . 1]" 1
77 1 7 LYS HB3 1 8 GLY H 5.000 . 5.000 3.694 3.636 3.812 . 0 0 "[ . 1]" 1
78 1 7 LYS HB3 1 10 ALA H 5.000 . 5.000 4.987 4.939 5.015 0.015 4 0 "[ . 1]" 1
79 1 7 LYS HD3 1 7 LYS HG2 3.400 2.400 3.400 2.723 2.713 2.741 . 0 0 "[ . 1]" 1
80 1 7 LYS HD3 1 8 GLY H 5.000 . 5.000 5.057 5.042 5.071 0.071 6 0 "[ . 1]" 1
81 1 7 LYS HE3 1 7 LYS HG3 3.400 . 3.400 2.893 2.852 2.954 . 0 0 "[ . 1]" 1
82 1 8 GLY H 1 8 GLY HA2 2.800 . 2.800 2.763 2.760 2.767 . 0 0 "[ . 1]" 1
83 1 8 GLY H 1 8 GLY HA3 2.800 . 2.800 2.310 2.307 2.311 . 0 0 "[ . 1]" 1
84 1 8 GLY H 1 9 ALA H 3.400 . 3.400 2.760 2.747 2.773 . 0 0 "[ . 1]" 1
85 1 8 GLY HA2 1 9 ALA H 3.400 . 3.400 3.465 3.462 3.469 0.069 4 0 "[ . 1]" 1
86 1 8 GLY HA2 1 10 ALA H 5.000 . 5.000 4.286 4.151 4.550 . 0 0 "[ . 1]" 1
87 1 8 GLY HA3 1 9 ALA H 3.400 . 3.400 2.993 2.976 3.002 . 0 0 "[ . 1]" 1
88 1 8 GLY HA3 1 10 ALA H 5.000 3.400 5.000 4.770 4.671 4.974 . 0 0 "[ . 1]" 1
89 1 9 ALA H 1 10 ALA H 3.400 . 3.400 2.473 2.445 2.527 . 0 0 "[ . 1]" 1
90 1 9 ALA HA 1 10 ALA H 5.000 . 5.000 3.521 3.502 3.555 . 0 0 "[ . 1]" 1
91 1 9 ALA HA 1 11 LYS H 5.000 . 5.000 4.112 3.909 4.357 . 0 0 "[ . 1]" 1
92 1 9 ALA HA 1 12 ASP H 5.000 . 5.000 3.439 3.283 3.767 . 0 0 "[ . 1]" 1
93 1 9 ALA HA 1 12 ASP HB2 5.000 . 5.000 3.641 3.282 3.927 . 0 0 "[ . 1]" 1
94 1 9 ALA HA 1 12 ASP HB3 5.000 . 5.000 3.497 2.832 4.966 . 0 0 "[ . 1]" 1
95 1 9 ALA HA 1 13 ILE H 5.000 . 5.000 4.216 3.872 4.686 . 0 0 "[ . 1]" 1
96 1 10 ALA H 1 10 ALA MB 2.800 . 2.800 2.227 2.192 2.243 . 0 0 "[ . 1]" 1
97 1 10 ALA H 1 11 LYS H . . 3.400 2.672 2.509 2.810 . 0 0 "[ . 1]" 1
98 1 10 ALA HA 1 13 ILE H 5.000 . 5.000 3.555 3.272 3.825 . 0 0 "[ . 1]" 1
99 1 10 ALA HA 1 13 ILE MD 5.000 . 5.000 2.396 2.297 2.543 . 0 0 "[ . 1]" 1
100 1 10 ALA HA 1 13 ILE MG 5.000 . 5.000 4.116 4.005 4.156 . 0 0 "[ . 1]" 1
101 1 10 ALA MB 1 11 LYS H 5.000 . 5.000 2.636 2.426 2.702 . 0 0 "[ . 1]" 1
102 1 11 LYS H 1 11 LYS HA 2.800 . 2.800 2.807 2.787 2.827 0.027 7 0 "[ . 1]" 1
103 1 11 LYS H 1 11 LYS HB3 2.800 . 2.800 2.787 2.407 2.864 0.064 7 0 "[ . 1]" 1
104 1 11 LYS H 1 11 LYS HG2 5.000 . 5.000 4.417 4.126 4.541 . 0 0 "[ . 1]" 1
105 1 11 LYS H 1 11 LYS HG3 5.000 . 5.000 4.293 4.183 4.562 . 0 0 "[ . 1]" 1
106 1 11 LYS HA 1 11 LYS HB3 2.800 . 2.800 2.959 2.947 2.977 0.177 9 0 "[ . 1]" 1
107 1 11 LYS HA 1 11 LYS HD3 5.000 . 5.000 4.067 2.353 4.628 . 0 0 "[ . 1]" 1
108 1 11 LYS HA 1 11 LYS HG2 3.400 . 3.400 2.686 2.365 3.322 . 0 0 "[ . 1]" 1
109 1 11 LYS HA 1 12 ASP H 5.000 . 5.000 3.542 3.523 3.561 . 0 0 "[ . 1]" 1
110 1 11 LYS HA 1 13 ILE H 5.000 . 5.000 4.768 4.439 4.947 . 0 0 "[ . 1]" 1
111 1 11 LYS HA 1 14 ALA H 5.000 . 5.000 3.914 3.647 4.148 . 0 0 "[ . 1]" 1
112 1 11 LYS HA 1 15 GLY H 5.000 . 5.000 4.248 3.698 4.898 . 0 0 "[ . 1]" 1
113 1 11 LYS HB3 1 11 LYS HE3 5.000 . 5.000 4.516 3.631 4.914 . 0 0 "[ . 1]" 1
114 1 11 LYS HB3 1 12 ASP H 3.400 . 3.400 2.503 2.339 2.664 . 0 0 "[ . 1]" 1
115 1 11 LYS HG2 1 12 ASP H 5.000 . 5.000 4.274 3.459 4.881 . 0 0 "[ . 1]" 1
116 1 11 LYS HG3 1 12 ASP H 5.000 . 5.000 4.857 4.384 5.004 0.004 8 0 "[ . 1]" 1
117 1 12 ASP H 1 12 ASP HB2 3.400 . 3.400 2.418 2.169 2.608 . 0 0 "[ . 1]" 1
118 1 12 ASP H 1 12 ASP HB3 3.400 . 3.400 2.721 2.483 3.484 0.084 8 0 "[ . 1]" 1
119 1 12 ASP H 1 13 ILE H 5.000 . 5.000 2.702 2.596 2.805 . 0 0 "[ . 1]" 1
120 1 12 ASP HA 1 13 ILE H 5.000 . 5.000 3.564 3.545 3.573 . 0 0 "[ . 1]" 1
121 1 12 ASP HA 1 15 GLY H 5.000 . 5.000 3.576 3.367 3.729 . 0 0 "[ . 1]" 1
122 1 12 ASP HB2 1 13 ILE H 5.000 . 5.000 3.577 2.549 3.814 . 0 0 "[ . 1]" 1
123 1 12 ASP HB3 1 13 ILE H 5.000 . 5.000 2.448 2.263 3.035 . 0 0 "[ . 1]" 1
124 1 13 ILE H 1 13 ILE HB . . 2.800 2.561 2.514 2.588 . 0 0 "[ . 1]" 1
125 1 13 ILE H 1 13 ILE MD 5.000 . 5.000 3.239 3.188 3.312 . 0 0 "[ . 1]" 1
126 1 13 ILE H 1 13 ILE HG12 5.000 . 5.000 3.399 3.311 3.494 . 0 0 "[ . 1]" 1
127 1 13 ILE H 1 13 ILE HG13 3.400 . 3.400 1.946 1.890 2.057 . 0 0 "[ . 1]" 1
128 1 13 ILE HA 1 13 ILE HG12 3.400 . 3.400 2.677 2.666 2.690 . 0 0 "[ . 1]" 1
129 1 13 ILE HA 1 13 ILE HG13 3.400 . 3.400 2.874 2.817 2.982 . 0 0 "[ . 1]" 1
130 1 13 ILE HA 1 14 ALA H 5.000 . 5.000 3.568 3.566 3.570 . 0 0 "[ . 1]" 1
131 1 13 ILE HA 1 15 GLY H 5.000 . 5.000 3.900 3.694 4.136 . 0 0 "[ . 1]" 1
132 1 13 ILE HA 1 16 HIS H 5.000 . 5.000 3.953 3.817 4.155 . 0 0 "[ . 1]" 1
133 1 13 ILE HA 1 16 HIS HB3 5.000 . 5.000 4.909 4.677 5.014 0.014 10 0 "[ . 1]" 1
134 1 13 ILE HA 1 16 HIS HD2 3.400 . 3.400 2.459 2.331 2.804 . 0 0 "[ . 1]" 1
135 1 13 ILE HA 1 17 LEU H 5.000 . 5.000 4.921 4.795 5.011 0.011 6 0 "[ . 1]" 1
136 1 13 ILE HB 1 14 ALA H 3.400 . 3.400 2.283 2.270 2.290 . 0 0 "[ . 1]" 1
137 1 13 ILE MD 1 14 ALA H 5.000 . 5.000 4.092 4.069 4.106 . 0 0 "[ . 1]" 1
138 1 13 ILE HG12 1 14 ALA H 5.000 . 5.000 4.883 4.833 4.905 . 0 0 "[ . 1]" 1
139 1 13 ILE HG13 1 14 ALA H 5.000 . 5.000 4.099 3.992 4.168 . 0 0 "[ . 1]" 1
140 1 13 ILE MG 1 14 ALA H 5.000 . 5.000 3.253 3.182 3.347 . 0 0 "[ . 1]" 1
141 1 14 ALA H 1 14 ALA MB 3.400 . 3.400 2.228 2.207 2.249 . 0 0 "[ . 1]" 1
142 1 14 ALA H 1 15 GLY H 5.000 . 5.000 2.646 2.479 2.778 . 0 0 "[ . 1]" 1
143 1 14 ALA HA 1 15 GLY H 5.000 . 5.000 3.446 3.441 3.451 . 0 0 "[ . 1]" 1
144 1 14 ALA HA 1 17 LEU HB3 3.400 . 3.400 2.515 2.361 2.873 . 0 0 "[ . 1]" 1
145 1 14 ALA HA 1 18 ALA H 5.000 . 5.000 3.723 3.241 4.273 . 0 0 "[ . 1]" 1
146 1 14 ALA MB 1 15 GLY H 5.000 . 5.000 2.914 2.903 2.926 . 0 0 "[ . 1]" 1
147 1 15 GLY H 1 15 GLY HA3 2.800 . 2.800 2.301 2.299 2.303 . 0 0 "[ . 1]" 1
148 1 15 GLY HA2 1 16 HIS H 5.000 . 5.000 3.579 3.578 3.582 . 0 0 "[ . 1]" 1
149 1 15 GLY HA2 1 19 SER H 5.000 . 5.000 4.817 4.598 4.997 . 0 0 "[ . 1]" 1
150 1 15 GLY HA3 1 16 HIS H 5.000 . 5.000 2.595 2.578 2.653 . 0 0 "[ . 1]" 1
151 1 16 HIS H 1 16 HIS HB3 2.800 . 2.800 2.457 2.397 2.545 . 0 0 "[ . 1]" 1
152 1 16 HIS H 1 16 HIS HD2 5.000 . 5.000 2.984 2.717 3.322 . 0 0 "[ . 1]" 1
153 1 16 HIS H 1 17 LEU H 3.400 . 3.400 2.569 2.506 2.645 . 0 0 "[ . 1]" 1
154 1 16 HIS HA 1 16 HIS HB3 2.800 . 2.800 2.522 2.476 2.566 . 0 0 "[ . 1]" 1
155 1 16 HIS HA 1 16 HIS HD2 5.000 . 5.000 4.816 4.719 4.915 . 0 0 "[ . 1]" 1
156 1 16 HIS HA 1 17 LEU H 5.000 . 5.000 3.426 3.401 3.467 . 0 0 "[ . 1]" 1
157 1 16 HIS HA 1 18 ALA H 5.000 . 5.000 4.980 4.919 5.007 0.007 2 0 "[ . 1]" 1
158 1 16 HIS HA 1 19 SER H 5.000 . 5.000 3.590 3.444 3.734 . 0 0 "[ . 1]" 1
159 1 16 HIS HB3 1 16 HIS HD2 2.800 . 2.800 2.769 2.750 2.809 0.009 10 0 "[ . 1]" 1
160 1 16 HIS HB3 1 17 LEU H 5.000 . 5.000 4.089 3.949 4.181 . 0 0 "[ . 1]" 1
161 1 17 LEU H 1 17 LEU HB3 2.800 . 2.800 2.786 2.765 2.801 0.001 4 0 "[ . 1]" 1
162 1 17 LEU H 1 17 LEU MD1 5.000 . 5.000 4.141 4.136 4.145 . 0 0 "[ . 1]" 1
163 1 17 LEU H 1 18 ALA H 3.400 . 3.400 2.758 2.681 2.824 . 0 0 "[ . 1]" 1
164 1 17 LEU HA 1 17 LEU MD1 3.400 . 3.400 2.463 2.424 2.510 . 0 0 "[ . 1]" 1
165 1 17 LEU HA 1 18 ALA H 5.000 . 5.000 3.573 3.571 3.575 . 0 0 "[ . 1]" 1
166 1 17 LEU HA 1 20 LYS H 5.000 . 5.000 3.786 3.548 4.019 . 0 0 "[ . 1]" 1
167 1 17 LEU HA 1 20 LYS HB3 5.000 . 5.000 3.843 3.432 4.304 . 0 0 "[ . 1]" 1
168 1 17 LEU HB2 1 18 ALA H 5.000 . 5.000 3.380 3.359 3.405 . 0 0 "[ . 1]" 1
169 1 17 LEU HB3 1 17 LEU MD1 2.800 . 2.800 2.263 2.258 2.269 . 0 0 "[ . 1]" 1
170 1 17 LEU HB3 1 18 ALA H 3.400 . 3.400 2.074 2.041 2.139 . 0 0 "[ . 1]" 1
171 1 17 LEU MD1 1 18 ALA H 5.000 . 5.000 3.028 2.951 3.099 . 0 0 "[ . 1]" 1
172 1 18 ALA H 1 18 ALA HA 2.800 . 2.800 2.787 2.767 2.810 0.010 3 0 "[ . 1]" 1
173 1 18 ALA H 1 18 ALA MB 2.800 . 2.800 2.227 2.204 2.238 . 0 0 "[ . 1]" 1
174 1 18 ALA H 1 19 SER H 3.400 . 3.400 2.708 2.644 2.753 . 0 0 "[ . 1]" 1
175 1 18 ALA HA 1 19 SER H 3.400 . 3.400 3.410 3.392 3.429 0.029 7 0 "[ . 1]" 1
176 1 18 ALA HA 1 20 LYS H 5.000 . 5.000 4.090 3.740 4.349 . 0 0 "[ . 1]" 1
177 1 18 ALA HA 1 21 VAL H 5.000 . 5.000 3.101 2.876 3.267 . 0 0 "[ . 1]" 1
178 1 18 ALA HA 1 21 VAL HB 5.000 . 5.000 2.601 2.430 2.820 . 0 0 "[ . 1]" 1
179 1 18 ALA HA 1 21 VAL MG1 5.000 . 5.000 3.945 3.762 4.174 . 0 0 "[ . 1]" 1
180 1 18 ALA HA 1 22 MET H 5.000 . 5.000 4.534 4.009 4.929 . 0 0 "[ . 1]" 1
181 1 18 ALA MB 1 19 SER H 5.000 . 5.000 3.004 2.934 3.067 . 0 0 "[ . 1]" 1
182 1 19 SER H 1 19 SER HA 2.800 . 2.800 2.816 2.791 2.845 0.045 7 0 "[ . 1]" 1
183 1 19 SER H 1 19 SER HB3 2.800 . 2.800 2.297 2.244 2.348 . 0 0 "[ . 1]" 1
184 1 19 SER H 1 20 LYS H 3.400 . 3.400 2.683 2.593 2.765 . 0 0 "[ . 1]" 1
185 1 19 SER HA 1 19 SER HB3 2.800 . 2.800 2.595 2.564 2.624 . 0 0 "[ . 1]" 1
186 1 19 SER HA 1 20 LYS H 5.000 . 5.000 3.539 3.501 3.556 . 0 0 "[ . 1]" 1
187 1 19 SER HA 1 22 MET H 5.000 . 5.000 3.546 3.239 3.685 . 0 0 "[ . 1]" 1
188 1 19 SER HA 1 22 MET HB2 5.000 . 5.000 3.866 2.818 4.806 . 0 0 "[ . 1]" 1
189 1 19 SER HB3 1 20 LYS H 5.000 . 5.000 3.686 3.583 3.867 . 0 0 "[ . 1]" 1
190 1 20 LYS H 1 20 LYS HA 2.800 . 2.800 2.849 2.838 2.880 0.080 2 0 "[ . 1]" 1
191 1 20 LYS H 1 20 LYS HB3 2.800 . 2.800 2.080 2.067 2.126 . 0 0 "[ . 1]" 1
192 1 20 LYS H 1 20 LYS HG3 3.400 . 3.400 3.427 3.414 3.435 0.035 4 0 "[ . 1]" 1
193 1 20 LYS H 1 21 VAL H 2.800 . 2.800 2.451 2.332 2.497 . 0 0 "[ . 1]" 1
194 1 20 LYS HA 1 20 LYS HB3 2.800 . 2.800 2.828 2.820 2.839 0.039 2 0 "[ . 1]" 1
195 1 20 LYS HA 1 20 LYS HD3 5.000 . 5.000 2.884 2.834 2.918 . 0 0 "[ . 1]" 1
196 1 20 LYS HA 1 20 LYS HG3 3.400 2.400 3.400 3.491 3.478 3.504 0.104 9 0 "[ . 1]" 1
197 1 20 LYS HA 1 21 VAL H 3.400 . 3.400 3.456 3.449 3.460 0.060 4 0 "[ . 1]" 1
198 1 20 LYS HB3 1 20 LYS HE3 5.000 . 5.000 3.999 3.497 4.984 . 0 0 "[ . 1]" 1
199 1 20 LYS HB3 1 20 LYS HG3 2.800 . 2.800 2.603 2.582 2.616 . 0 0 "[ . 1]" 1
200 1 20 LYS HB3 1 21 VAL H 3.400 . 3.400 3.412 3.404 3.415 0.015 7 0 "[ . 1]" 1
201 1 20 LYS HD3 1 20 LYS HG3 2.800 . 2.800 2.700 2.666 2.757 . 0 0 "[ . 1]" 1
202 1 20 LYS HG3 1 21 VAL H 5.000 . 5.000 2.556 2.508 2.614 . 0 0 "[ . 1]" 1
203 1 21 VAL H 1 21 VAL HB 2.800 . 2.800 2.531 2.375 2.712 . 0 0 "[ . 1]" 1
204 1 21 VAL H 1 22 MET H 2.800 . 2.800 2.458 2.268 2.562 . 0 0 "[ . 1]" 1
205 1 21 VAL HA 1 21 VAL HB . . 2.800 2.996 2.987 3.001 0.201 5 0 "[ . 1]" 1
206 1 21 VAL HA 1 21 VAL MG1 . . 3.400 2.301 2.224 2.380 . 0 0 "[ . 1]" 1
207 1 21 VAL HA 1 22 MET H 3.400 . 3.400 3.405 3.401 3.413 0.013 3 0 "[ . 1]" 1
208 1 21 VAL MG1 1 22 MET H 5.000 . 5.000 3.907 3.720 4.100 . 0 0 "[ . 1]" 1
209 1 21 VAL MG2 1 22 MET H 5.000 . 5.000 3.927 3.706 4.084 . 0 0 "[ . 1]" 1
210 1 22 MET H 1 22 MET HB2 3.400 . 3.400 2.796 2.405 3.154 . 0 0 "[ . 1]" 1
211 1 22 MET H 1 22 MET HB3 2.800 . 2.800 2.607 2.475 2.726 . 0 0 "[ . 1]" 1
212 1 22 MET H 1 22 MET HG2 5.000 . 5.000 4.522 4.413 4.904 . 0 0 "[ . 1]" 1
213 1 22 MET H 1 22 MET HG3 5.000 . 5.000 4.557 4.410 4.713 . 0 0 "[ . 1]" 1
stop_
save_
Contact the webmaster for help, if required. Friday, May 10, 2024 3:19:00 AM GMT (wattos1)