NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
369938 |
1bjc   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bjc
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 453
_Distance_constraint_stats_list.Viol_total 556.160
_Distance_constraint_stats_list.Viol_max 0.240
_Distance_constraint_stats_list.Viol_rms 0.0380
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0146
_Distance_constraint_stats_list.Viol_average_violations_only 0.0818
_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 ASP 0.354 0.102 6 0 "[ . 1 .]"
1 2 ALA 0.705 0.139 7 0 "[ . 1 .]"
1 3 GLU 1.130 0.155 5 0 "[ . 1 .]"
1 4 PHE 2.143 0.193 1 0 "[ . 1 .]"
1 5 ARG 2.905 0.240 12 0 "[ . 1 .]"
1 6 HIS 1.739 0.240 12 0 "[ . 1 .]"
1 7 ASP 1.004 0.125 10 0 "[ . 1 .]"
1 8 SER 0.940 0.125 10 0 "[ . 1 .]"
1 9 GLY 0.596 0.095 15 0 "[ . 1 .]"
1 10 TYR 0.916 0.127 12 0 "[ . 1 .]"
1 11 GLU 1.940 0.191 9 0 "[ . 1 .]"
1 12 VAL 6.397 0.191 9 0 "[ . 1 .]"
1 13 HIS 0.808 0.078 10 0 "[ . 1 .]"
1 14 HIS 0.926 0.123 2 0 "[ . 1 .]"
1 15 GLN 1.998 0.234 4 0 "[ . 1 .]"
1 16 PHE 2.460 0.234 4 0 "[ . 1 .]"
1 17 LEU 4.612 0.176 7 0 "[ . 1 .]"
1 18 VAL 4.544 0.182 11 0 "[ . 1 .]"
1 19 PHE 2.515 0.093 10 0 "[ . 1 .]"
1 20 PHE 1.790 0.134 2 0 "[ . 1 .]"
1 21 ALA 4.584 0.164 10 0 "[ . 1 .]"
1 22 GLU 3.182 0.153 7 0 "[ . 1 .]"
1 23 ASP 3.612 0.161 7 0 "[ . 1 .]"
1 24 VAL 3.751 0.206 3 0 "[ . 1 .]"
1 25 GLY 0.150 0.122 11 0 "[ . 1 .]"
1 26 SER 1.081 0.125 1 0 "[ . 1 .]"
1 27 ASN 0.706 0.068 4 0 "[ . 1 .]"
1 28 LYS 0.383 0.065 11 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 ASP HA 1 2 ALA H 0.000 . 3.400 2.655 2.117 3.502 0.102 6 0 "[ . 1 .]" 1
2 1 1 ASP QB 1 2 ALA H 0.000 . 5.200 2.726 1.904 3.650 . 0 0 "[ . 1 .]" 1
3 1 2 ALA H 1 3 GLU H 0.000 . 4.200 3.647 2.499 4.339 0.139 7 0 "[ . 1 .]" 1
4 1 2 ALA HA 1 3 GLU H 0.000 . 2.800 2.340 2.070 2.635 . 0 0 "[ . 1 .]" 1
5 1 2 ALA MB 1 3 GLU H 0.000 . 4.900 3.234 1.896 3.729 . 0 0 "[ . 1 .]" 1
6 1 2 ALA MB 1 4 PHE H 0.000 . 5.700 3.380 2.383 4.690 . 0 0 "[ . 1 .]" 1
7 1 2 ALA MB 1 5 ARG H 0.000 . 6.500 4.714 3.171 5.386 . 0 0 "[ . 1 .]" 1
8 1 3 GLU HA 1 4 PHE H 0.000 . 2.800 2.670 2.098 2.955 0.155 5 0 "[ . 1 .]" 1
9 1 4 PHE H 1 4 PHE QB 0.000 . 3.800 2.992 2.351 3.405 . 0 0 "[ . 1 .]" 1
10 1 4 PHE H 1 5 ARG H 0.000 . 3.400 2.666 1.589 3.412 0.012 4 0 "[ . 1 .]" 1
11 1 4 PHE HA 1 5 ARG H 0.000 . 2.800 2.740 2.421 2.993 0.193 1 0 "[ . 1 .]" 1
12 1 4 PHE HA 1 6 HIS H 0.000 . 4.200 3.872 2.952 4.356 0.156 6 0 "[ . 1 .]" 1
13 1 4 PHE HA 1 7 ASP H 0.000 . 5.000 4.267 3.168 5.033 0.033 2 0 "[ . 1 .]" 1
14 1 5 ARG H 1 5 ARG HA 0.000 . 2.800 2.820 2.305 2.953 0.153 4 0 "[ . 1 .]" 1
15 1 5 ARG H 1 5 ARG QB 0.000 . 3.800 2.769 2.200 3.343 . 0 0 "[ . 1 .]" 1
16 1 5 ARG H 1 5 ARG QG 0.000 . 4.400 3.095 1.851 4.064 . 0 0 "[ . 1 .]" 1
17 1 5 ARG HA 1 6 HIS H 0.000 . 2.800 2.647 2.268 3.040 0.240 12 0 "[ . 1 .]" 1
18 1 5 ARG HA 1 7 ASP H 0.000 . 5.000 4.400 3.431 5.032 0.032 5 0 "[ . 1 .]" 1
19 1 5 ARG QB 1 6 HIS H 0.000 . 5.200 3.950 3.504 4.050 . 0 0 "[ . 1 .]" 1
20 1 5 ARG QG 1 6 HIS H 0.000 . 4.400 3.752 3.002 4.076 . 0 0 "[ . 1 .]" 1
21 1 6 HIS H 1 6 HIS HA 0.000 . 2.800 2.582 2.315 2.944 0.144 14 0 "[ . 1 .]" 1
22 1 6 HIS QB 1 7 ASP H 0.000 . 5.200 3.406 2.191 3.965 . 0 0 "[ . 1 .]" 1
23 1 6 HIS QB 1 8 SER H 0.000 . 5.200 3.657 2.623 4.547 . 0 0 "[ . 1 .]" 1
24 1 7 ASP H 1 7 ASP HA 0.000 . 2.800 2.505 2.287 2.907 0.107 8 0 "[ . 1 .]" 1
25 1 7 ASP HA 1 8 SER H 0.000 . 2.800 2.625 2.300 2.925 0.125 10 0 "[ . 1 .]" 1
26 1 7 ASP QB 1 8 SER H 0.000 . 5.200 3.897 3.635 4.037 . 0 0 "[ . 1 .]" 1
27 1 8 SER H 1 9 GLY H 0.000 . 3.400 2.702 2.197 3.461 0.061 4 0 "[ . 1 .]" 1
28 1 8 SER HA 1 9 GLY H 0.000 . 3.400 3.237 2.523 3.495 0.095 15 0 "[ . 1 .]" 1
29 1 8 SER QB 1 9 GLY QA 0.000 . 7.200 4.158 3.826 4.617 . 0 0 "[ . 1 .]" 1
30 1 9 GLY H 1 9 GLY QA 0.000 . 2.800 2.331 2.222 2.531 . 0 0 "[ . 1 .]" 1
31 1 9 GLY H 1 10 TYR H 0.000 . 3.400 2.889 1.491 3.427 0.027 8 0 "[ . 1 .]" 1
32 1 9 GLY QA 1 10 TYR H 0.000 . 3.800 2.567 2.140 2.929 . 0 0 "[ . 1 .]" 1
33 1 9 GLY QA 1 10 TYR QB 0.000 . 8.000 3.815 3.552 4.337 . 0 0 "[ . 1 .]" 1
34 1 10 TYR H 1 10 TYR HA 0.000 . 2.800 2.753 2.292 2.883 0.083 10 0 "[ . 1 .]" 1
35 1 10 TYR H 1 10 TYR QB 0.000 . 3.800 2.818 2.223 3.065 . 0 0 "[ . 1 .]" 1
36 1 10 TYR H 1 10 TYR QD 0.000 . 5.400 3.737 1.964 4.533 . 0 0 "[ . 1 .]" 1
37 1 10 TYR H 1 10 TYR QE 0.000 . 7.000 5.742 4.004 6.500 . 0 0 "[ . 1 .]" 1
38 1 10 TYR HA 1 10 TYR QE 0.000 . 6.200 4.913 4.195 5.680 . 0 0 "[ . 1 .]" 1
39 1 10 TYR HA 1 11 GLU H 0.000 . 2.800 2.477 2.252 2.927 0.127 12 0 "[ . 1 .]" 1
40 1 10 TYR QB 1 11 GLU H 0.000 . 3.400 2.639 1.736 3.023 . 0 0 "[ . 1 .]" 1
41 1 10 TYR QD 1 11 GLU H 0.000 . 6.200 2.342 1.724 3.243 . 0 0 "[ . 1 .]" 1
42 1 10 TYR QD 1 11 GLU HA 0.000 . 6.200 3.655 2.743 4.486 . 0 0 "[ . 1 .]" 1
43 1 10 TYR QD 1 12 VAL HA 0.000 . 7.000 4.113 3.520 4.806 . 0 0 "[ . 1 .]" 1
44 1 10 TYR QE 1 12 VAL HA 0.000 . 6.200 4.133 2.834 5.029 . 0 0 "[ . 1 .]" 1
45 1 11 GLU H 1 12 VAL HA 0.000 . 4.200 4.218 4.110 4.391 0.191 9 0 "[ . 1 .]" 1
46 1 11 GLU H 1 12 VAL QG 0.000 . 5.700 3.665 2.968 3.992 . 0 0 "[ . 1 .]" 1
47 1 11 GLU HA 1 11 GLU QG 0.000 . 3.400 2.669 2.354 3.282 . 0 0 "[ . 1 .]" 1
48 1 11 GLU HA 1 12 VAL H 0.000 . 2.800 2.073 2.016 2.150 . 0 0 "[ . 1 .]" 1
49 1 11 GLU HA 1 12 VAL HB 0.000 . 4.200 4.281 4.231 4.340 0.140 7 0 "[ . 1 .]" 1
50 1 11 GLU HA 1 12 VAL MG2 0.000 . 4.900 3.689 3.372 3.980 . 0 0 "[ . 1 .]" 1
51 1 11 GLU QG 1 12 VAL HA 0.000 . 5.200 4.363 3.729 4.595 . 0 0 "[ . 1 .]" 1
52 1 12 VAL H 1 12 VAL HA 0.000 . 2.800 2.883 2.805 2.940 0.140 14 0 "[ . 1 .]" 1
53 1 12 VAL H 1 12 VAL HB 0.000 . 2.800 2.307 2.172 2.510 . 0 0 "[ . 1 .]" 1
54 1 12 VAL H 1 12 VAL MG2 0.000 . 4.300 2.387 1.913 3.111 . 0 0 "[ . 1 .]" 1
55 1 12 VAL H 1 13 HIS H 0.000 . 3.400 2.358 1.747 2.779 . 0 0 "[ . 1 .]" 1
56 1 12 VAL HA 1 12 VAL HB 0.000 . 2.800 2.980 2.966 2.990 0.190 10 0 "[ . 1 .]" 1
57 1 12 VAL HA 1 13 HIS H 0.000 . 3.400 3.431 3.216 3.478 0.078 10 0 "[ . 1 .]" 1
58 1 12 VAL HB 1 13 HIS H 0.000 . 3.400 2.525 2.059 3.402 0.002 13 0 "[ . 1 .]" 1
59 1 12 VAL QG 1 13 HIS HA 0.000 . 6.700 4.333 3.800 4.852 . 0 0 "[ . 1 .]" 1
60 1 12 VAL MG1 1 13 HIS H 0.000 . 4.900 3.323 2.761 4.002 . 0 0 "[ . 1 .]" 1
61 1 12 VAL MG1 1 14 HIS H 0.000 . 4.900 2.597 1.831 3.934 . 0 0 "[ . 1 .]" 1
62 1 12 VAL MG2 1 13 HIS H 0.000 . 4.900 3.818 3.560 4.071 . 0 0 "[ . 1 .]" 1
63 1 12 VAL MG2 1 14 HIS H 0.000 . 5.700 4.564 4.317 4.834 . 0 0 "[ . 1 .]" 1
64 1 13 HIS H 1 13 HIS HA 0.000 . 2.800 2.452 2.291 2.852 0.052 5 0 "[ . 1 .]" 1
65 1 13 HIS H 1 13 HIS QB 0.000 . 3.800 3.088 2.814 3.516 . 0 0 "[ . 1 .]" 1
66 1 14 HIS H 1 14 HIS HA 0.000 . 2.800 2.737 2.308 2.923 0.123 2 0 "[ . 1 .]" 1
67 1 14 HIS HA 1 15 GLN QB 0.000 . 5.200 4.501 4.324 4.717 . 0 0 "[ . 1 .]" 1
68 1 14 HIS HA 1 15 GLN QG 0.000 . 6.000 4.184 3.373 5.303 . 0 0 "[ . 1 .]" 1
69 1 14 HIS HA 1 17 LEU QD 0.000 . 8.000 4.611 2.647 5.930 . 0 0 "[ . 1 .]" 1
70 1 15 GLN H 1 15 GLN QB 0.000 . 3.800 2.864 2.167 3.366 . 0 0 "[ . 1 .]" 1
71 1 15 GLN H 1 15 GLN QG 0.000 . 3.400 2.473 2.071 2.947 . 0 0 "[ . 1 .]" 1
72 1 15 GLN H 1 16 PHE H 0.000 . 3.400 2.546 1.560 3.332 . 0 0 "[ . 1 .]" 1
73 1 15 GLN HA 1 15 GLN QB 0.000 . 2.800 2.358 2.196 2.567 . 0 0 "[ . 1 .]" 1
74 1 15 GLN HA 1 16 PHE H 0.000 . 2.800 2.844 2.464 3.034 0.234 4 0 "[ . 1 .]" 1
75 1 15 GLN HA 1 18 VAL H 0.000 . 3.400 3.274 3.034 3.582 0.182 11 0 "[ . 1 .]" 1
76 1 15 GLN HA 1 18 VAL MG1 0.000 . 5.700 4.071 2.899 4.791 . 0 0 "[ . 1 .]" 1
77 1 15 GLN HA 1 18 VAL MG2 0.000 . 4.900 3.378 2.351 4.144 . 0 0 "[ . 1 .]" 1
78 1 15 GLN QB 1 16 PHE H 0.000 . 4.400 3.828 3.584 4.006 . 0 0 "[ . 1 .]" 1
79 1 15 GLN QG 1 16 PHE H 0.000 . 5.200 4.011 3.229 4.610 . 0 0 "[ . 1 .]" 1
80 1 16 PHE H 1 18 VAL H 0.000 . 5.000 3.436 2.296 4.206 . 0 0 "[ . 1 .]" 1
81 1 16 PHE HA 1 16 PHE QE 0.000 . 6.200 5.003 4.611 5.642 . 0 0 "[ . 1 .]" 1
82 1 16 PHE HA 1 17 LEU H 0.000 . 3.400 3.278 2.111 3.492 0.092 1 0 "[ . 1 .]" 1
83 1 16 PHE HA 1 18 VAL H 0.000 . 5.000 4.150 3.505 4.606 . 0 0 "[ . 1 .]" 1
84 1 16 PHE HA 1 19 PHE H 0.000 . 3.400 3.265 3.072 3.480 0.080 11 0 "[ . 1 .]" 1
85 1 16 PHE HA 1 19 PHE QB 0.000 . 4.400 2.392 2.129 3.092 . 0 0 "[ . 1 .]" 1
86 1 16 PHE QB 1 17 LEU H 0.000 . 4.400 2.971 2.254 3.923 . 0 0 "[ . 1 .]" 1
87 1 16 PHE QB 1 18 VAL H 0.000 . 6.000 4.619 4.207 5.149 . 0 0 "[ . 1 .]" 1
88 1 16 PHE QB 1 19 PHE H 0.000 . 5.200 4.730 4.595 4.836 . 0 0 "[ . 1 .]" 1
89 1 16 PHE QD 1 17 LEU QD 0.000 . 5.900 2.924 2.119 4.003 . 0 0 "[ . 1 .]" 1
90 1 17 LEU H 1 17 LEU HA 0.000 . 2.800 2.787 2.320 2.884 0.084 12 0 "[ . 1 .]" 1
91 1 17 LEU H 1 17 LEU HG 0.000 . 4.400 2.766 2.166 4.475 0.075 11 0 "[ . 1 .]" 1
92 1 17 LEU H 1 18 VAL H 0.000 . 3.400 2.474 2.321 2.781 . 0 0 "[ . 1 .]" 1
93 1 17 LEU H 1 18 VAL HA 0.000 . 5.000 5.120 5.064 5.176 0.176 7 0 "[ . 1 .]" 1
94 1 17 LEU HA 1 17 LEU HG 0.000 . 2.800 2.506 2.211 2.862 0.062 6 0 "[ . 1 .]" 1
95 1 17 LEU HA 1 18 VAL H 0.000 . 3.400 3.460 3.438 3.508 0.108 12 0 "[ . 1 .]" 1
96 1 17 LEU QB 1 18 VAL H 0.000 . 5.200 2.509 2.324 2.876 . 0 0 "[ . 1 .]" 1
97 1 17 LEU QB 1 18 VAL HA 0.000 . 6.000 3.899 3.819 4.094 . 0 0 "[ . 1 .]" 1
98 1 17 LEU QB 1 19 PHE H 0.000 . 5.200 4.588 4.411 4.661 . 0 0 "[ . 1 .]" 1
99 1 17 LEU HG 1 18 VAL H 0.000 . 5.200 4.399 4.143 4.679 . 0 0 "[ . 1 .]" 1
100 1 17 LEU HG 1 19 PHE H 0.000 . 6.000 5.969 5.563 6.086 0.086 11 0 "[ . 1 .]" 1
101 1 18 VAL H 1 18 VAL HB 0.000 . 3.400 2.353 2.118 2.548 . 0 0 "[ . 1 .]" 1
102 1 18 VAL H 1 18 VAL MG2 0.000 . 4.300 2.360 2.002 2.918 . 0 0 "[ . 1 .]" 1
103 1 18 VAL H 1 19 PHE H 0.000 . 3.400 2.426 1.997 2.583 . 0 0 "[ . 1 .]" 1
104 1 18 VAL HA 1 19 PHE H 0.000 . 3.400 3.481 3.454 3.493 0.093 10 0 "[ . 1 .]" 1
105 1 18 VAL HA 1 20 PHE H 0.000 . 5.000 3.924 3.383 4.345 . 0 0 "[ . 1 .]" 1
106 1 18 VAL HA 1 21 ALA H 0.000 . 4.200 3.083 2.802 3.298 . 0 0 "[ . 1 .]" 1
107 1 18 VAL HA 1 21 ALA MB 0.000 . 4.300 2.322 2.022 2.915 . 0 0 "[ . 1 .]" 1
108 1 18 VAL HA 1 22 GLU H 0.000 . 5.000 3.898 2.497 5.050 0.050 7 0 "[ . 1 .]" 1
109 1 18 VAL HB 1 19 PHE H 0.000 . 2.800 2.638 2.436 2.842 0.042 6 0 "[ . 1 .]" 1
110 1 18 VAL MG1 1 19 PHE H 0.000 . 4.900 3.317 2.642 3.654 . 0 0 "[ . 1 .]" 1
111 1 18 VAL MG1 1 19 PHE HA 0.000 . 5.700 3.512 3.053 3.852 . 0 0 "[ . 1 .]" 1
112 1 18 VAL MG1 1 21 ALA H 0.000 . 6.500 4.416 4.086 4.679 . 0 0 "[ . 1 .]" 1
113 1 18 VAL MG2 1 19 PHE H 0.000 . 4.900 3.852 3.604 4.090 . 0 0 "[ . 1 .]" 1
114 1 18 VAL MG2 1 21 ALA H 0.000 . 5.700 4.807 4.722 4.893 . 0 0 "[ . 1 .]" 1
115 1 19 PHE H 1 19 PHE QB 0.000 . 3.800 2.246 2.127 2.315 . 0 0 "[ . 1 .]" 1
116 1 19 PHE H 1 19 PHE QD 0.000 . 5.400 4.136 3.891 4.243 . 0 0 "[ . 1 .]" 1
117 1 19 PHE H 1 20 PHE H 0.000 . 2.800 2.625 2.495 2.770 . 0 0 "[ . 1 .]" 1
118 1 19 PHE HA 1 19 PHE QE 0.000 . 6.200 4.569 4.327 5.126 . 0 0 "[ . 1 .]" 1
119 1 19 PHE HA 1 20 PHE H 0.000 . 3.400 3.432 3.229 3.488 0.088 6 0 "[ . 1 .]" 1
120 1 19 PHE HA 1 22 GLU QB 0.000 . 4.400 3.353 2.178 3.998 . 0 0 "[ . 1 .]" 1
121 1 19 PHE QE 1 23 ASP QB 0.000 . 7.200 4.525 2.682 5.586 . 0 0 "[ . 1 .]" 1
122 1 20 PHE H 1 20 PHE QB 0.000 . 3.800 2.243 2.091 2.676 . 0 0 "[ . 1 .]" 1
123 1 20 PHE H 1 21 ALA MB 0.000 . 4.900 4.009 3.648 4.165 . 0 0 "[ . 1 .]" 1
124 1 20 PHE H 1 24 VAL MG2 0.000 . 5.700 4.593 4.204 4.817 . 0 0 "[ . 1 .]" 1
125 1 20 PHE HA 1 20 PHE QE 0.000 . 6.200 4.338 4.157 4.473 . 0 0 "[ . 1 .]" 1
126 1 20 PHE HA 1 21 ALA H 0.000 . 3.400 3.451 3.202 3.534 0.134 2 0 "[ . 1 .]" 1
127 1 20 PHE HA 1 23 ASP QB 0.000 . 6.000 3.753 2.464 4.868 . 0 0 "[ . 1 .]" 1
128 1 20 PHE HA 1 24 VAL MG2 0.000 . 5.700 2.602 2.020 3.612 . 0 0 "[ . 1 .]" 1
129 1 20 PHE QB 1 21 ALA H 0.000 . 4.400 2.788 2.281 3.635 . 0 0 "[ . 1 .]" 1
130 1 20 PHE QD 1 24 VAL MG1 0.000 . 5.900 3.972 3.311 4.469 . 0 0 "[ . 1 .]" 1
131 1 20 PHE QD 1 24 VAL MG2 0.000 . 5.900 2.620 2.032 3.179 . 0 0 "[ . 1 .]" 1
132 1 21 ALA H 1 21 ALA HA 0.000 . 2.800 2.838 2.733 2.964 0.164 10 0 "[ . 1 .]" 1
133 1 21 ALA H 1 22 GLU H 0.000 . 2.800 2.626 1.722 2.947 0.147 4 0 "[ . 1 .]" 1
134 1 21 ALA HA 1 22 GLU H 0.000 . 3.400 3.384 2.748 3.485 0.085 15 0 "[ . 1 .]" 1
135 1 21 ALA HA 1 23 ASP H 0.000 . 4.200 4.073 3.483 4.343 0.143 6 0 "[ . 1 .]" 1
136 1 21 ALA HA 1 24 VAL H 0.000 . 4.200 3.631 3.150 4.115 . 0 0 "[ . 1 .]" 1
137 1 21 ALA HA 1 24 VAL HB 0.000 . 4.200 2.870 2.188 3.379 . 0 0 "[ . 1 .]" 1
138 1 21 ALA HA 1 24 VAL MG1 0.000 . 5.700 4.198 3.343 4.820 . 0 0 "[ . 1 .]" 1
139 1 21 ALA HA 1 24 VAL MG2 0.000 . 4.900 3.632 2.118 4.065 . 0 0 "[ . 1 .]" 1
140 1 21 ALA MB 1 22 GLU H 0.000 . 4.300 2.576 1.960 3.608 . 0 0 "[ . 1 .]" 1
141 1 21 ALA MB 1 24 VAL H 0.000 . 6.500 4.755 4.416 5.236 . 0 0 "[ . 1 .]" 1
142 1 22 GLU H 1 22 GLU HA 0.000 . 2.800 2.859 2.795 2.953 0.153 7 0 "[ . 1 .]" 1
143 1 22 GLU H 1 22 GLU QB 0.000 . 3.800 2.334 2.124 2.575 . 0 0 "[ . 1 .]" 1
144 1 22 GLU H 1 22 GLU QG 0.000 . 4.400 3.210 2.052 4.042 . 0 0 "[ . 1 .]" 1
145 1 22 GLU H 1 23 ASP QB 0.000 . 5.200 4.483 4.051 4.744 . 0 0 "[ . 1 .]" 1
146 1 22 GLU HA 1 23 ASP H 0.000 . 3.400 3.384 3.036 3.475 0.075 6 0 "[ . 1 .]" 1
147 1 22 GLU QB 1 23 ASP H 0.000 . 3.800 2.897 2.340 3.512 . 0 0 "[ . 1 .]" 1
148 1 22 GLU QG 1 23 ASP H 0.000 . 5.200 4.132 2.005 4.705 . 0 0 "[ . 1 .]" 1
149 1 23 ASP H 1 23 ASP HA 0.000 . 2.800 2.920 2.892 2.961 0.161 7 0 "[ . 1 .]" 1
150 1 23 ASP H 1 23 ASP QB 0.000 . 3.800 2.513 2.043 3.165 . 0 0 "[ . 1 .]" 1
151 1 23 ASP H 1 24 VAL H 0.000 . 3.400 2.273 1.644 2.773 . 0 0 "[ . 1 .]" 1
152 1 23 ASP HA 1 24 VAL H 0.000 . 3.400 3.304 2.866 3.485 0.085 14 0 "[ . 1 .]" 1
153 1 23 ASP QB 1 24 VAL H 0.000 . 4.400 3.117 2.041 3.799 . 0 0 "[ . 1 .]" 1
154 1 24 VAL H 1 24 VAL HB 0.000 . 2.800 2.675 2.406 2.857 0.057 9 0 "[ . 1 .]" 1
155 1 24 VAL H 1 24 VAL MG2 0.000 . 4.300 2.366 1.829 3.174 . 0 0 "[ . 1 .]" 1
156 1 24 VAL H 1 25 GLY H 0.000 . 2.800 2.301 1.699 2.922 0.122 11 0 "[ . 1 .]" 1
157 1 24 VAL HA 1 24 VAL HB 0.000 . 2.800 2.992 2.960 3.006 0.206 3 0 "[ . 1 .]" 1
158 1 24 VAL MG1 1 25 GLY H 0.000 . 4.900 3.500 3.020 3.748 . 0 0 "[ . 1 .]" 1
159 1 24 VAL MG2 1 25 GLY H 0.000 . 4.900 3.649 3.207 4.090 . 0 0 "[ . 1 .]" 1
160 1 26 SER H 1 26 SER HA 0.000 . 2.800 2.720 2.307 2.925 0.125 1 0 "[ . 1 .]" 1
161 1 26 SER H 1 26 SER QB 0.000 . 3.800 2.940 2.290 3.468 . 0 0 "[ . 1 .]" 1
162 1 26 SER H 1 27 ASN H 0.000 . 3.400 2.539 1.723 2.965 . 0 0 "[ . 1 .]" 1
163 1 26 SER HA 1 27 ASN H 0.000 . 3.400 3.129 2.326 3.468 0.068 4 0 "[ . 1 .]" 1
164 1 26 SER HA 1 28 LYS H 0.000 . 5.000 3.899 3.270 4.867 . 0 0 "[ . 1 .]" 1
165 1 27 ASN H 1 28 LYS H 0.000 . 3.400 2.415 1.610 3.174 . 0 0 "[ . 1 .]" 1
166 1 27 ASN HA 1 28 LYS H 0.000 . 3.400 3.305 2.734 3.465 0.065 11 0 "[ . 1 .]" 1
167 1 27 ASN QB 1 28 LYS H 0.000 . 6.000 3.154 2.545 3.916 . 0 0 "[ . 1 .]" 1
168 1 28 LYS H 1 28 LYS QD 0.000 . 4.400 3.124 2.014 4.112 . 0 0 "[ . 1 .]" 1
169 1 28 LYS H 1 28 LYS QG 0.000 . 4.400 2.544 1.837 3.874 . 0 0 "[ . 1 .]" 1
stop_
save_
Contact the webmaster for help, if required. Monday, April 29, 2024 9:09:13 AM GMT (wattos1)