NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
449559 |
2oyv   |
15145 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2oyv
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 11
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 PCA 0.000 0.000 . 0 "[ . 1 ]"
1 2 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 3 TYR 0.000 0.000 . 0 "[ . 1 ]"
1 4 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 5 ASN 0.000 0.000 . 0 "[ . 1 ]"
1 6 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 7 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 8 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 9 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 10 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 11 TYR 0.000 0.000 . 0 "[ . 1 ]"
1 12 ILE 0.000 0.000 . 0 "[ . 1 ]"
1 13 LEU 0.000 0.000 . 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 PCA CA 1 3 TYR CA . 4.700 7.200 6.403 6.118 6.735 . 0 0 "[ . 1 ]" 1
2 1 2 LEU CA 1 4 GLU CA . 4.700 7.200 6.818 6.486 7.077 . 0 0 "[ . 1 ]" 1
3 1 3 TYR CA 1 5 ASN CA . 4.700 7.200 6.572 6.159 6.961 . 0 0 "[ . 1 ]" 1
4 1 4 GLU CA 1 6 LYS CA . 4.700 7.200 6.602 6.424 6.897 . 0 0 "[ . 1 ]" 1
5 1 5 ASN CA 1 7 PRO CA . 4.700 7.200 6.728 6.502 6.965 . 0 0 "[ . 1 ]" 1
6 1 6 LYS CA 1 8 ARG CA . 4.700 7.200 6.718 6.494 6.844 . 0 0 "[ . 1 ]" 1
7 1 7 PRO CA 1 9 ARG CA . 4.700 7.200 6.479 6.157 6.760 . 0 0 "[ . 1 ]" 1
8 1 8 ARG CA 1 10 PRO CA . 4.700 7.200 6.713 6.516 6.899 . 0 0 "[ . 1 ]" 1
9 1 9 ARG CA 1 11 TYR CA . 4.700 7.200 6.493 6.321 6.804 . 0 0 "[ . 1 ]" 1
10 1 10 PRO CA 1 12 ILE CA . 4.700 7.200 6.011 5.855 6.100 . 0 0 "[ . 1 ]" 1
11 1 11 TYR CA 1 13 LEU CA . 4.700 7.200 5.721 5.528 5.812 . 0 0 "[ . 1 ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 106
_Distance_constraint_stats_list.Viol_count 14
_Distance_constraint_stats_list.Viol_total 19.107
_Distance_constraint_stats_list.Viol_max 0.210
_Distance_constraint_stats_list.Viol_rms 0.0104
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0975
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 PCA 0.000 0.000 . 0 "[ . 1 ]"
1 2 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 3 TYR 0.000 0.000 . 0 "[ . 1 ]"
1 4 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 5 ASN 0.000 0.000 . 0 "[ . 1 ]"
1 6 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 7 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 8 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 9 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 10 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 11 TYR 0.000 0.000 . 0 "[ . 1 ]"
1 12 ILE 1.365 0.210 10 0 "[ . 1 ]"
1 13 LEU 1.365 0.210 10 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 2 LEU H 1 2 LEU QB 3.300 . 4.300 2.680 2.563 3.078 . 0 0 "[ . 1 ]" 2
2 1 2 LEU H 1 2 LEU HG 5.000 . 5.000 4.149 3.198 4.558 . 0 0 "[ . 1 ]" 2
3 1 3 TYR HA 1 3 TYR QE 6.000 . 8.000 5.126 4.616 5.634 . 0 0 "[ . 1 ]" 2
4 1 3 TYR H 1 3 TYR QB 3.300 . 4.300 2.762 2.299 3.102 . 0 0 "[ . 1 ]" 2
5 1 4 GLU HA 1 4 GLU QG 3.300 . 4.300 2.767 2.387 3.341 . 0 0 "[ . 1 ]" 2
6 1 6 LYS H 1 6 LYS QB 3.300 . 4.300 2.570 2.317 3.090 . 0 0 "[ . 1 ]" 2
7 1 6 LYS H 1 6 LYS QE 6.000 . 7.000 5.208 3.840 5.978 . 0 0 "[ . 1 ]" 2
8 1 8 ARG HA 1 8 ARG QG 3.300 . 4.300 2.591 2.384 3.336 . 0 0 "[ . 1 ]" 2
9 1 8 ARG QB 1 8 ARG QD 3.300 . 5.300 2.272 2.172 2.596 . 0 0 "[ . 1 ]" 2
10 1 8 ARG H 1 8 ARG QB 3.300 . 4.300 2.494 2.268 3.029 . 0 0 "[ . 1 ]" 2
11 1 9 ARG QB 1 9 ARG QD 3.300 . 5.300 2.297 2.172 2.617 . 0 0 "[ . 1 ]" 2
12 1 10 PRO HA 1 10 PRO QG 3.300 . 4.300 3.231 2.978 3.477 . 0 0 "[ . 1 ]" 2
13 1 11 TYR HA 1 11 TYR QE 6.000 . 8.000 4.607 4.544 4.635 . 0 0 "[ . 1 ]" 2
14 1 11 TYR H 1 11 TYR QB 3.300 . 4.300 2.250 2.216 2.317 . 0 0 "[ . 1 ]" 2
15 1 13 LEU H 1 13 LEU HG 5.000 . 5.000 4.155 3.509 4.742 . 0 0 "[ . 1 ]" 2
16 1 1 PCA HA 1 2 LEU H 2.700 . 2.700 2.325 2.241 2.411 . 0 0 "[ . 1 ]" 2
17 1 1 PCA HA 1 3 TYR H 6.000 . 6.000 5.603 5.297 5.771 . 0 0 "[ . 1 ]" 2
18 1 2 LEU HA 1 3 TYR QB 6.000 . 7.000 4.318 4.125 4.550 . 0 0 "[ . 1 ]" 2
19 1 2 LEU HA 1 3 TYR H 2.700 . 2.700 2.190 2.145 2.231 . 0 0 "[ . 1 ]" 2
20 1 2 LEU QB 1 3 TYR QD 6.000 . 9.000 5.919 5.330 6.591 . 0 0 "[ . 1 ]" 2
21 1 2 LEU QB 1 3 TYR H 5.000 . 6.000 3.764 3.356 4.020 . 0 0 "[ . 1 ]" 2
22 1 2 LEU HG 1 3 TYR QD 6.000 . 8.000 6.443 5.924 6.820 . 0 0 "[ . 1 ]" 2
23 1 2 LEU HG 1 3 TYR H 6.000 . 6.000 4.051 3.434 5.028 . 0 0 "[ . 1 ]" 2
24 1 2 LEU QD 1 3 TYR QD 6.000 . 10.000 5.703 5.185 6.154 . 0 0 "[ . 1 ]" 2
25 1 2 LEU QD 1 3 TYR H 6.000 . 8.000 3.656 3.312 4.578 . 0 0 "[ . 1 ]" 2
26 1 2 LEU H 1 3 TYR HA 6.000 . 6.000 4.611 4.422 4.786 . 0 0 "[ . 1 ]" 2
27 1 3 TYR HA 1 4 GLU H 2.700 . 2.700 2.192 2.155 2.231 . 0 0 "[ . 1 ]" 2
28 1 3 TYR QB 1 4 GLU QG 5.000 . 7.000 5.102 4.585 5.504 . 0 0 "[ . 1 ]" 2
29 1 3 TYR QB 1 4 GLU H 5.000 . 6.000 3.560 3.036 3.944 . 0 0 "[ . 1 ]" 2
30 1 3 TYR QD 1 4 GLU QB 6.000 . 9.000 5.473 5.185 5.633 . 0 0 "[ . 1 ]" 2
31 1 3 TYR QD 1 4 GLU QG 6.000 . 9.000 5.497 5.089 5.859 . 0 0 "[ . 1 ]" 2
32 1 3 TYR QD 1 4 GLU H 6.000 . 8.000 4.167 3.937 4.509 . 0 0 "[ . 1 ]" 2
33 1 3 TYR QD 1 5 ASN HA 6.000 . 8.000 4.821 3.779 6.189 . 0 0 "[ . 1 ]" 2
34 1 3 TYR QD 1 5 ASN QB 6.000 . 9.000 3.511 2.379 4.789 . 0 0 "[ . 1 ]" 2
35 1 3 TYR QE 1 4 GLU QB 6.000 . 9.000 6.638 5.803 7.074 . 0 0 "[ . 1 ]" 2
36 1 3 TYR QE 1 4 GLU QG 6.000 . 9.000 6.758 5.437 7.158 . 0 0 "[ . 1 ]" 2
37 1 3 TYR QE 1 4 GLU H 6.000 . 8.000 5.706 4.989 6.415 . 0 0 "[ . 1 ]" 2
38 1 3 TYR QE 1 5 ASN HA 6.000 . 8.000 5.053 3.448 6.269 . 0 0 "[ . 1 ]" 2
39 1 3 TYR QE 1 5 ASN QB 6.000 . 9.000 3.485 2.436 4.601 . 0 0 "[ . 1 ]" 2
40 1 3 TYR H 1 4 GLU H 5.000 . 5.000 4.325 4.084 4.466 . 0 0 "[ . 1 ]" 2
41 1 3 TYR H 1 4 GLU QB 6.000 . 7.000 5.594 5.006 6.124 . 0 0 "[ . 1 ]" 2
42 1 3 TYR H 1 4 GLU QG 6.000 . 7.000 5.174 3.821 6.225 . 0 0 "[ . 1 ]" 2
43 1 4 GLU HA 1 5 ASN H 6.000 . 6.000 2.190 2.128 2.239 . 0 0 "[ . 1 ]" 2
44 1 4 GLU HA 1 5 ASN QB 6.000 . 7.000 4.167 3.963 4.574 . 0 0 "[ . 1 ]" 2
45 1 5 ASN HA 1 6 LYS H 3.300 . 3.300 2.167 2.129 2.239 . 0 0 "[ . 1 ]" 2
46 1 5 ASN QB 1 6 LYS H 6.000 . 7.000 3.786 3.196 3.947 . 0 0 "[ . 1 ]" 2
47 1 6 LYS HA 1 7 PRO QB 6.000 . 7.000 4.763 4.723 4.826 . 0 0 "[ . 1 ]" 2
48 1 6 LYS HA 1 7 PRO QD 2.700 . 3.700 2.158 2.050 2.207 . 0 0 "[ . 1 ]" 2
49 1 6 LYS QB 1 7 PRO QD 5.000 . 7.000 3.343 3.056 3.850 . 0 0 "[ . 1 ]" 2
50 1 6 LYS QG 1 7 PRO QD 6.000 . 8.000 4.127 3.458 4.426 . 0 0 "[ . 1 ]" 2
51 1 6 LYS QD 1 7 PRO QD 6.000 . 8.000 4.203 3.194 5.591 . 0 0 "[ . 1 ]" 2
52 1 6 LYS H 1 7 PRO QD 6.000 . 7.000 4.189 3.954 4.439 . 0 0 "[ . 1 ]" 2
53 1 7 PRO HA 1 8 ARG H 2.700 . 2.700 2.097 2.052 2.123 . 0 0 "[ . 1 ]" 2
54 1 7 PRO QB 1 8 ARG H 5.000 . 6.000 3.276 3.135 3.539 . 0 0 "[ . 1 ]" 2
55 1 7 PRO QB 1 9 ARG H 6.000 . 7.000 4.742 4.243 5.216 . 0 0 "[ . 1 ]" 2
56 1 7 PRO QG 1 8 ARG H 6.000 . 7.000 4.691 4.613 4.808 . 0 0 "[ . 1 ]" 2
57 1 7 PRO QG 1 9 ARG H 6.000 . 7.000 5.847 5.410 6.239 . 0 0 "[ . 1 ]" 2
58 1 7 PRO QD 1 8 ARG H 6.000 . 7.000 5.005 4.921 5.039 . 0 0 "[ . 1 ]" 2
59 1 8 ARG HA 1 9 ARG H 2.700 . 2.700 2.212 2.115 2.260 . 0 0 "[ . 1 ]" 2
60 1 8 ARG HA 1 10 PRO QD 6.000 . 7.000 5.085 4.818 5.335 . 0 0 "[ . 1 ]" 2
61 1 8 ARG H 1 9 ARG H 6.000 . 6.000 4.229 3.909 4.543 . 0 0 "[ . 1 ]" 2
62 1 9 ARG HA 1 10 PRO QD 2.700 . 3.700 2.144 2.107 2.174 . 0 0 "[ . 1 ]" 2
63 1 9 ARG QG 1 11 TYR QD 6.000 . 9.000 5.066 4.483 6.195 . 0 0 "[ . 1 ]" 2
64 1 9 ARG QD 1 11 TYR QD 6.000 . 9.000 5.400 4.491 7.182 . 0 0 "[ . 1 ]" 2
65 1 9 ARG QG 1 11 TYR QE 6.000 . 9.000 6.257 5.351 6.642 . 0 0 "[ . 1 ]" 2
66 1 9 ARG QD 1 11 TYR QE 6.000 . 9.000 6.195 4.520 7.173 . 0 0 "[ . 1 ]" 2
67 1 9 ARG QG 1 11 TYR H 6.000 . 8.000 5.385 4.863 7.084 . 0 0 "[ . 1 ]" 2
68 1 9 ARG H 1 10 PRO QD 6.000 . 7.000 4.093 3.853 4.393 . 0 0 "[ . 1 ]" 2
69 1 10 PRO HA 1 11 TYR QB 6.000 . 7.000 4.034 3.961 4.281 . 0 0 "[ . 1 ]" 2
70 1 10 PRO HA 1 11 TYR QD 6.000 . 8.000 5.382 3.648 5.842 . 0 0 "[ . 1 ]" 2
71 1 10 PRO HA 1 11 TYR H 2.700 . 2.700 2.107 2.089 2.153 . 0 0 "[ . 1 ]" 2
72 1 10 PRO HA 1 12 ILE H 6.000 . 6.000 4.215 4.055 4.392 . 0 0 "[ . 1 ]" 2
73 1 10 PRO HA 1 13 LEU H 6.000 . 6.000 4.884 4.721 5.258 . 0 0 "[ . 1 ]" 2
74 1 10 PRO QB 1 11 TYR QB 6.000 . 8.000 4.912 4.660 5.063 . 0 0 "[ . 1 ]" 2
75 1 10 PRO QB 1 11 TYR QD 6.000 . 9.000 6.101 4.833 6.415 . 0 0 "[ . 1 ]" 2
76 1 10 PRO QB 1 11 TYR H 5.000 . 6.000 3.414 3.005 3.556 . 0 0 "[ . 1 ]" 2
77 1 10 PRO QB 1 12 ILE H 6.000 . 7.000 3.855 3.355 4.223 . 0 0 "[ . 1 ]" 2
78 1 10 PRO QB 1 13 LEU H 6.000 . 7.000 3.229 3.047 3.513 . 0 0 "[ . 1 ]" 2
79 1 10 PRO QG 1 11 TYR H 6.000 . 7.000 4.773 4.552 4.839 . 0 0 "[ . 1 ]" 2
80 1 10 PRO QD 1 11 TYR QD 6.000 . 9.000 6.873 5.950 7.143 . 0 0 "[ . 1 ]" 2
81 1 10 PRO QD 1 11 TYR H 6.000 . 7.000 4.979 4.925 5.036 . 0 0 "[ . 1 ]" 2
82 1 11 TYR HA 1 12 ILE H 5.000 . 5.000 3.494 3.416 3.527 . 0 0 "[ . 1 ]" 2
83 1 11 TYR HA 1 12 ILE QG 6.000 . 7.000 5.426 4.945 6.269 . 0 0 "[ . 1 ]" 2
84 1 11 TYR HA 1 13 LEU H 6.000 . 6.000 4.119 3.774 4.264 . 0 0 "[ . 1 ]" 2
85 1 11 TYR QB 1 12 ILE HA 6.000 . 7.000 4.319 4.162 4.411 . 0 0 "[ . 1 ]" 2
86 1 11 TYR QB 1 12 ILE QG 6.000 . 8.000 4.474 3.273 5.521 . 0 0 "[ . 1 ]" 2
87 1 11 TYR QB 1 12 ILE H 5.000 . 6.000 2.928 2.817 3.222 . 0 0 "[ . 1 ]" 2
88 1 11 TYR QB 1 13 LEU H 6.000 . 8.000 4.978 4.921 5.064 . 0 0 "[ . 1 ]" 2
89 1 11 TYR QD 1 12 ILE HA 6.000 . 8.000 4.276 3.718 6.072 . 0 0 "[ . 1 ]" 2
90 1 11 TYR QD 1 12 ILE QG 6.000 . 9.000 5.149 3.054 6.290 . 0 0 "[ . 1 ]" 2
91 1 11 TYR QD 1 12 ILE MG 6.000 . 9.000 4.299 3.231 6.914 . 0 0 "[ . 1 ]" 2
92 1 11 TYR QD 1 12 ILE MD 6.000 . 9.000 5.971 4.380 6.776 . 0 0 "[ . 1 ]" 2
93 1 11 TYR QD 1 12 ILE H 6.000 . 8.000 4.123 3.836 4.919 . 0 0 "[ . 1 ]" 2
94 1 11 TYR QD 1 13 LEU HA 6.000 . 8.000 7.401 7.286 7.713 . 0 0 "[ . 1 ]" 2
95 1 11 TYR QD 1 13 LEU H 6.000 . 8.000 5.845 5.722 6.254 . 0 0 "[ . 1 ]" 2
96 1 11 TYR H 1 12 ILE HA 6.000 . 6.000 5.370 5.324 5.430 . 0 0 "[ . 1 ]" 2
97 1 11 TYR H 1 12 ILE H 6.000 . 6.000 2.833 2.791 2.880 . 0 0 "[ . 1 ]" 2
98 1 11 TYR H 1 13 LEU H 6.000 . 6.000 4.479 4.342 4.770 . 0 0 "[ . 1 ]" 2
99 1 12 ILE HA 1 13 LEU QB 5.000 . 6.000 4.935 4.594 5.279 . 0 0 "[ . 1 ]" 2
100 1 12 ILE HA 1 13 LEU H 3.300 . 3.300 3.397 3.324 3.510 0.210 10 0 "[ . 1 ]" 2
101 1 12 ILE HB 1 13 LEU H 6.000 . 6.000 3.985 3.184 4.367 . 0 0 "[ . 1 ]" 2
102 1 12 ILE QG 1 13 LEU H 6.000 . 7.000 3.443 2.763 4.553 . 0 0 "[ . 1 ]" 2
103 1 12 ILE MD 1 13 LEU H 6.000 . 7.000 4.434 2.578 5.569 . 0 0 "[ . 1 ]" 2
104 1 12 ILE H 1 13 LEU HA 6.000 . 6.000 5.472 5.302 5.540 . 0 0 "[ . 1 ]" 2
105 1 12 ILE H 1 13 LEU QB 6.000 . 7.000 5.029 4.834 5.210 . 0 0 "[ . 1 ]" 2
106 1 12 ILE H 1 13 LEU H 5.000 . 5.000 2.901 2.794 2.944 . 0 0 "[ . 1 ]" 2
stop_
save_
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