NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
434579 |
2jxf   |
15559 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jxf
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 301
_Distance_constraint_stats_list.Viol_count 750
_Distance_constraint_stats_list.Viol_total 3371.445
_Distance_constraint_stats_list.Viol_max 0.480
_Distance_constraint_stats_list.Viol_rms 0.0528
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0124
_Distance_constraint_stats_list.Viol_average_violations_only 0.1498
_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 GLN 5.434 0.380 3 0 "[ . 1 . 2 . 3]"
1 2 THR 14.511 0.425 10 0 "[ . 1 . 2 . 3]"
1 3 ASN 29.057 0.446 10 0 "[ . 1 . 2 . 3]"
1 4 TRP 19.998 0.446 10 0 "[ . 1 . 2 . 3]"
1 5 GLN 9.832 0.430 9 0 "[ . 1 . 2 . 3]"
1 6 LYS 6.079 0.397 27 0 "[ . 1 . 2 . 3]"
1 7 LEU 9.875 0.223 22 0 "[ . 1 . 2 . 3]"
1 8 GLU 0.533 0.116 22 0 "[ . 1 . 2 . 3]"
1 9 VAL 0.253 0.091 29 0 "[ . 1 . 2 . 3]"
1 10 PHE 4.449 0.198 2 0 "[ . 1 . 2 . 3]"
1 11 TRP 12.245 0.371 10 0 "[ . 1 . 2 . 3]"
1 12 ALA 14.561 0.371 10 0 "[ . 1 . 2 . 3]"
1 13 LYS 1.414 0.116 7 0 "[ . 1 . 2 . 3]"
1 14 HIS 2.667 0.334 26 0 "[ . 1 . 2 . 3]"
1 15 MET 8.314 0.334 26 0 "[ . 1 . 2 . 3]"
1 16 TRP 6.864 0.478 3 0 "[ . 1 . 2 . 3]"
1 17 ASN 9.426 0.478 3 0 "[ . 1 . 2 . 3]"
1 18 PHE 3.577 0.172 19 0 "[ . 1 . 2 . 3]"
1 19 ILE 0.246 0.150 3 0 "[ . 1 . 2 . 3]"
1 20 SER 4.838 0.240 16 0 "[ . 1 . 2 . 3]"
1 21 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 22 ILE 0.022 0.022 8 0 "[ . 1 . 2 . 3]"
1 23 GLN 13.577 0.423 22 0 "[ . 1 . 2 . 3]"
1 24 TYR 12.466 0.423 22 0 "[ . 1 . 2 . 3]"
1 25 LEU 10.237 0.480 9 0 "[ . 1 . 2 . 3]"
1 26 ALA 8.407 0.383 25 0 "[ . 1 . 2 . 3]"
1 27 GLY 1.836 0.347 26 0 "[ . 1 . 2 . 3]"
1 28 LEU 8.158 0.480 9 0 "[ . 1 . 2 . 3]"
1 29 SER 5.125 0.345 24 0 "[ . 1 . 2 . 3]"
1 30 THR 0.761 0.126 22 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 GLN HA 1 2 THR H 2.800 . 3.100 2.391 2.113 3.142 0.042 11 0 "[ . 1 . 2 . 3]" 1
2 1 1 GLN HA 1 3 ASN H 5.000 . 5.500 5.518 4.071 5.880 0.380 3 0 "[ . 1 . 2 . 3]" 1
3 1 1 GLN HB2 1 2 THR H 5.000 . 5.500 4.181 2.738 4.685 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 1 GLN HB3 1 2 THR H 5.000 . 5.500 3.788 2.338 4.697 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 1 GLN QG 1 2 THR H 6.000 . 6.600 3.579 2.226 4.787 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 2 THR H 1 3 ASN H 6.000 . 6.600 3.712 2.137 4.536 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 2 THR HA 1 3 ASN H 2.800 . 3.100 3.090 2.066 3.525 0.425 10 0 "[ . 1 . 2 . 3]" 1
8 1 2 THR HA 1 4 TRP H 6.000 . 6.600 4.240 3.279 5.281 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 2 THR HA 1 5 GLN HB3 6.000 . 6.600 6.606 5.865 6.867 0.267 27 0 "[ . 1 . 2 . 3]" 1
10 1 2 THR HA 1 5 GLN HG3 6.000 . 6.600 5.898 4.848 6.724 0.124 7 0 "[ . 1 . 2 . 3]" 1
11 1 2 THR HA 1 6 LYS H 6.000 . 6.600 6.077 5.315 6.704 0.104 21 0 "[ . 1 . 2 . 3]" 1
12 1 2 THR HB 1 3 ASN H 2.800 . 3.100 2.751 1.865 3.443 0.343 13 0 "[ . 1 . 2 . 3]" 1
13 1 2 THR HB 1 4 TRP HD1 5.000 . 5.500 4.731 2.134 5.718 0.218 25 0 "[ . 1 . 2 . 3]" 1
14 1 2 THR MG 1 3 ASN H 3.900 . 4.300 2.669 2.002 3.649 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 2 THR MG 1 4 TRP HD1 6.000 . 8.600 3.756 2.343 6.727 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 2 THR MG 1 4 TRP HE1 6.000 . 8.600 4.872 2.910 6.845 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 2 THR MG 1 4 TRP HE3 6.000 . 8.600 6.584 5.248 7.425 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 2 THR MG 1 4 TRP HZ2 6.000 . 8.600 6.641 5.303 7.215 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 3 ASN H 1 4 TRP H 3.900 . 4.300 2.653 1.969 3.482 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 3 ASN H 1 5 GLN H 6.000 . 6.600 4.491 2.923 5.109 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 3 ASN HA 1 4 TRP H 2.800 . 3.100 3.402 2.940 3.546 0.446 10 0 "[ . 1 . 2 . 3]" 1
22 1 3 ASN HA 1 5 GLN H 5.000 . 5.500 4.323 3.981 4.669 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 3 ASN HA 1 6 LYS H 2.800 . 3.100 3.209 2.993 3.394 0.294 23 0 "[ . 1 . 2 . 3]" 1
24 1 3 ASN HA 1 6 LYS HB2 5.000 . 5.500 2.763 2.010 3.707 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 3 ASN HA 1 6 LYS HB3 3.900 . 4.300 3.502 2.070 4.346 0.046 12 0 "[ . 1 . 2 . 3]" 1
26 1 3 ASN HA 1 6 LYS QD 3.900 . 5.300 3.681 2.081 4.819 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 3 ASN QB 1 4 TRP H 3.900 . 4.300 3.331 2.409 3.873 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 4 TRP H 1 5 GLN H 2.800 . 3.100 2.695 2.039 2.859 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 4 TRP HA 1 5 GLN H 3.900 . 4.300 3.562 3.512 3.597 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 4 TRP HA 1 7 LEU H 2.800 . 3.100 3.246 3.134 3.323 0.223 22 0 "[ . 1 . 2 . 3]" 1
31 1 4 TRP HA 1 7 LEU HB2 2.800 . 3.100 2.959 2.258 3.198 0.098 14 0 "[ . 1 . 2 . 3]" 1
32 1 4 TRP HA 1 7 LEU HB3 3.900 . 4.300 2.489 2.043 2.948 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 4 TRP HA 1 7 LEU MD1 3.900 . 6.300 3.682 2.828 4.845 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 4 TRP HA 1 7 LEU MD2 5.000 . 7.500 3.640 2.840 4.996 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 4 TRP HA 1 8 GLU H 5.000 . 5.500 4.145 3.757 5.003 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 4 TRP HB2 1 5 GLN H 3.900 . 4.300 2.647 2.124 4.077 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 4 TRP HB3 1 5 GLN H 2.800 . 3.100 3.231 2.566 3.530 0.430 9 0 "[ . 1 . 2 . 3]" 1
38 1 4 TRP HE3 1 7 LEU MD1 5.000 . 7.500 3.514 2.364 6.343 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 4 TRP HE3 1 7 LEU MD2 5.000 . 7.500 3.233 2.117 5.176 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 4 TRP HE3 1 7 LEU HG 5.000 . 5.500 5.146 3.805 5.594 0.094 20 0 "[ . 1 . 2 . 3]" 1
41 1 5 GLN H 1 6 LYS H 2.800 . 3.100 2.782 2.631 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 5 GLN HA 1 8 GLU H 3.900 . 4.300 3.698 3.299 4.348 0.048 25 0 "[ . 1 . 2 . 3]" 1
43 1 5 GLN HB2 1 6 LYS H 2.800 . 3.100 2.936 2.436 3.497 0.397 27 0 "[ . 1 . 2 . 3]" 1
44 1 5 GLN HB3 1 6 LYS H 3.900 . 4.300 3.416 2.956 4.021 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 5 GLN HG3 1 6 LYS H 5.000 . 5.500 4.170 1.820 5.139 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 6 LYS HA 1 9 VAL H 3.900 . 4.300 3.607 3.299 3.824 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 6 LYS HA 1 9 VAL HB 2.800 . 3.100 2.916 2.556 3.191 0.091 29 0 "[ . 1 . 2 . 3]" 1
48 1 6 LYS HA 1 10 PHE H 6.000 . 6.600 4.042 3.796 4.384 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 7 LEU H 1 8 GLU H 2.800 . 3.100 2.733 2.613 2.923 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 7 LEU H 1 9 VAL H 5.000 . 5.500 4.344 4.177 4.668 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 7 LEU HA 1 10 PHE H 3.900 . 4.300 3.408 3.227 3.499 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 7 LEU HA 1 10 PHE HB2 2.800 . 3.100 3.245 3.176 3.298 0.198 2 0 "[ . 1 . 2 . 3]" 1
53 1 7 LEU HA 1 10 PHE HB3 2.800 . 3.100 2.022 1.890 2.126 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 7 LEU HA 1 10 PHE QD 2.800 . 4.100 2.725 2.366 3.467 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 7 LEU HB2 1 8 GLU H 3.900 . 4.300 3.894 3.592 4.050 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 7 LEU HB3 1 8 GLU H 3.900 . 4.300 2.669 2.556 2.889 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 7 LEU HB3 1 10 PHE QD 5.000 . 6.500 4.877 4.510 5.547 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 7 LEU MD1 1 8 GLU H 5.000 . 7.500 4.778 2.939 4.997 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 7 LEU MD1 1 11 TRP HD1 3.900 . 6.300 4.278 1.839 5.281 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 7 LEU MD1 1 11 TRP HE1 5.000 . 7.500 5.066 3.199 5.957 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 7 LEU MD1 1 11 TRP HZ2 6.000 . 8.600 6.927 5.386 7.126 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 7 LEU MD2 1 11 TRP HD1 3.900 . 6.300 3.013 1.960 4.022 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 7 LEU MD2 1 11 TRP HE1 6.000 . 8.600 4.005 3.204 4.582 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 7 LEU MD2 1 11 TRP HZ2 5.000 . 7.500 5.795 5.315 6.152 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 7 LEU HG 1 10 PHE QD 5.000 . 6.500 2.575 1.997 4.982 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 7 LEU HG 1 11 TRP HD1 3.900 . 4.300 3.735 2.883 4.463 0.163 4 0 "[ . 1 . 2 . 3]" 1
67 1 8 GLU H 1 9 VAL H 2.800 . 3.100 2.692 2.558 2.896 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 8 GLU H 1 10 PHE H 5.000 . 5.500 3.982 3.757 4.125 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 8 GLU HA 1 9 VAL H 5.000 . 5.500 3.574 3.562 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 8 GLU HA 1 11 TRP H 3.900 . 4.300 3.440 3.220 3.645 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 8 GLU HA 1 11 TRP HB2 2.800 . 3.100 2.532 2.166 3.005 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 8 GLU HA 1 11 TRP HB3 3.900 . 4.300 3.253 2.883 3.688 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 8 GLU HA 1 11 TRP HD1 5.000 . 5.500 4.518 3.052 5.616 0.116 22 0 "[ . 1 . 2 . 3]" 1
74 1 8 GLU HA 1 11 TRP HE3 6.000 . 6.600 5.461 4.210 6.651 0.051 16 0 "[ . 1 . 2 . 3]" 1
75 1 8 GLU HA 1 12 ALA H 6.000 . 6.600 4.229 3.670 4.868 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 8 GLU HB2 1 9 VAL H 2.800 . 3.100 2.671 2.467 3.179 0.079 11 0 "[ . 1 . 2 . 3]" 1
77 1 8 GLU HB3 1 9 VAL H 3.900 . 4.300 3.263 2.628 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 8 GLU HG2 1 9 VAL H 6.000 . 6.600 4.837 4.273 5.143 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 8 GLU HG3 1 9 VAL H 6.000 . 6.600 4.732 4.327 5.120 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 9 VAL H 1 10 PHE H 2.800 . 3.100 2.578 2.531 2.677 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 9 VAL H 1 11 TRP H 6.000 . 6.600 4.071 3.897 4.333 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 9 VAL HA 1 10 PHE H 5.000 . 5.500 3.551 3.530 3.561 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 9 VAL HA 1 11 TRP H 6.000 . 6.600 4.559 4.360 4.925 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 9 VAL HA 1 12 ALA H 5.000 . 5.500 3.730 3.535 4.060 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 9 VAL HA 1 12 ALA MB 2.800 . 5.100 3.198 2.543 3.994 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 9 VAL HA 1 13 LYS H 6.000 . 6.600 4.550 4.223 5.196 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 9 VAL HB 1 10 PHE H 2.800 . 3.100 2.472 2.363 2.650 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 9 VAL HB 1 10 PHE QD 6.000 . 7.600 5.922 5.851 6.004 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 9 VAL MG1 1 10 PHE H 5.000 . 7.500 3.373 3.250 3.583 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 9 VAL MG1 1 10 PHE QD 6.000 . 9.600 5.474 5.323 5.751 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 9 VAL MG2 1 10 PHE H 3.900 . 6.300 3.797 3.702 3.895 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 9 VAL MG2 1 10 PHE QD 5.000 . 8.500 6.551 6.457 6.627 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 10 PHE H 1 11 TRP H 3.900 . 4.300 2.714 2.524 2.820 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 10 PHE HA 1 11 TRP H 5.000 . 5.500 3.565 3.550 3.583 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 10 PHE HA 1 13 LYS H 3.900 . 4.300 3.682 3.332 3.984 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 10 PHE HA 1 13 LYS HB2 3.900 . 4.300 3.234 2.245 4.049 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 10 PHE HA 1 13 LYS HB3 3.900 . 4.300 3.379 2.387 4.375 0.075 2 0 "[ . 1 . 2 . 3]" 1
98 1 10 PHE HA 1 13 LYS HG2 6.000 . 6.600 5.179 4.182 6.376 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 10 PHE HA 1 14 HIS H 5.000 . 5.500 4.213 3.572 5.307 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 10 PHE HB2 1 11 TRP H 5.000 . 5.500 3.886 3.704 3.987 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 10 PHE HB3 1 11 TRP H 3.900 . 4.300 2.488 2.239 2.617 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 10 PHE QD 1 11 TRP HA 2.800 . 4.100 3.502 2.799 3.903 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 11 TRP H 1 12 ALA H 3.900 . 4.300 2.951 2.813 3.204 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 11 TRP H 1 13 LYS H 6.000 . 6.600 4.286 4.046 4.480 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 11 TRP HA 1 12 ALA H 5.000 . 5.500 3.605 3.579 3.628 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 11 TRP HA 1 13 LYS H 5.000 . 5.500 4.491 4.205 4.708 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 11 TRP HA 1 14 HIS H 5.000 . 5.500 3.611 3.341 3.959 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 11 TRP HA 1 14 HIS HB2 3.900 . 4.300 3.532 2.990 4.263 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 11 TRP HA 1 14 HIS HB3 3.900 . 4.300 2.955 2.189 4.581 0.281 26 0 "[ . 1 . 2 . 3]" 1
110 1 11 TRP HA 1 15 MET H 5.000 . 5.500 3.833 3.520 4.341 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 11 TRP HB2 1 12 ALA H 5.000 . 5.500 3.296 3.096 3.511 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 11 TRP HB3 1 12 ALA H 3.900 . 4.300 2.493 2.287 2.705 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 11 TRP HD1 1 12 ALA HA 6.000 . 6.600 6.858 6.756 6.971 0.371 10 0 "[ . 1 . 2 . 3]" 1
114 1 11 TRP HE1 1 15 MET ME 5.000 . 7.500 5.597 3.900 6.170 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 11 TRP HE3 1 12 ALA HA 3.900 . 4.300 4.352 3.408 4.502 0.202 20 0 "[ . 1 . 2 . 3]" 1
116 1 11 TRP HZ2 1 15 MET ME 3.900 . 6.300 4.488 3.507 5.174 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 11 TRP HZ3 1 12 ALA HA 6.000 . 6.600 6.132 4.804 6.377 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 12 ALA H 1 13 LYS H 3.900 . 4.300 2.758 2.580 2.904 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 12 ALA H 1 14 HIS H 6.000 . 6.600 4.285 3.970 4.586 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 12 ALA HA 1 13 LYS H 3.900 . 4.300 3.568 3.538 3.585 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 12 ALA HA 1 14 HIS H 5.000 . 5.500 4.523 4.307 4.669 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 12 ALA HA 1 15 MET H 5.000 . 5.500 3.458 3.303 3.660 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 12 ALA HA 1 15 MET HB2 2.800 . 3.100 2.714 1.912 3.251 0.151 30 0 "[ . 1 . 2 . 3]" 1
124 1 12 ALA HA 1 15 MET HB3 2.800 . 3.100 3.083 2.442 3.303 0.203 11 0 "[ . 1 . 2 . 3]" 1
125 1 12 ALA HA 1 16 TRP H 6.000 . 6.600 3.619 3.396 3.885 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 12 ALA MB 1 13 LYS H 3.900 . 6.300 2.584 2.387 2.825 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 12 ALA MB 1 16 TRP HD1 5.000 . 7.500 6.187 6.102 6.242 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 13 LYS H 1 14 HIS H 2.800 . 3.100 2.664 2.551 2.786 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 13 LYS HA 1 14 HIS H 5.000 . 5.500 3.569 3.553 3.595 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 13 LYS HA 1 15 MET H 6.000 . 6.600 4.688 4.497 4.858 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 13 LYS HA 1 16 TRP H 3.900 . 4.300 3.684 3.422 3.871 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 13 LYS HA 1 16 TRP HB2 3.900 . 4.300 3.433 2.896 3.808 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 13 LYS HA 1 16 TRP HB3 3.900 . 4.300 3.179 2.244 3.826 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 13 LYS HA 1 16 TRP HD1 5.000 . 5.500 4.902 4.211 5.589 0.089 21 0 "[ . 1 . 2 . 3]" 1
135 1 13 LYS HA 1 16 TRP HE3 6.000 . 6.600 6.351 3.313 6.716 0.116 7 0 "[ . 1 . 2 . 3]" 1
136 1 13 LYS HA 1 17 ASN H 6.000 . 6.600 4.083 3.776 4.483 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 13 LYS HB2 1 14 HIS H 5.000 . 5.500 3.370 2.376 3.943 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 13 LYS HB3 1 14 HIS H 3.900 . 4.300 2.676 2.316 3.416 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 13 LYS HG2 1 14 HIS H 6.000 . 6.600 4.408 3.438 5.127 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 14 HIS H 1 15 MET H 2.800 . 3.100 2.663 2.496 2.800 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 14 HIS HA 1 15 MET H 5.000 . 5.500 3.580 3.550 3.603 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 14 HIS HA 1 16 TRP H 6.000 . 6.600 4.664 4.477 4.863 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 14 HIS HA 1 17 ASN HB2 2.800 . 3.100 3.026 2.515 3.219 0.119 12 0 "[ . 1 . 2 . 3]" 1
144 1 14 HIS HA 1 17 ASN HB3 2.800 . 3.100 2.789 2.254 3.211 0.111 3 0 "[ . 1 . 2 . 3]" 1
145 1 14 HIS HB2 1 15 MET H 5.000 . 5.500 3.590 2.184 3.883 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 14 HIS HB3 1 15 MET H 5.000 . 5.500 2.501 2.250 3.488 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 14 HIS HD2 1 15 MET HA 6.000 . 6.600 4.023 3.010 6.582 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 14 HIS HD2 1 15 MET HB3 6.000 . 6.600 6.180 4.971 6.934 0.334 26 0 "[ . 1 . 2 . 3]" 1
149 1 14 HIS HD2 1 15 MET HG2 6.000 . 6.600 5.648 3.907 6.690 0.090 22 0 "[ . 1 . 2 . 3]" 1
150 1 15 MET H 1 16 TRP H 2.800 . 3.100 2.768 2.622 2.879 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 15 MET H 1 17 ASN H 6.000 . 6.600 3.994 3.860 4.165 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 15 MET HA 1 16 TRP H 5.000 . 5.500 3.600 3.568 3.619 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 15 MET HA 1 17 ASN H 6.000 . 6.600 4.306 4.132 4.557 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 15 MET HA 1 18 PHE HB2 2.800 . 3.100 3.201 3.005 3.272 0.172 19 0 "[ . 1 . 2 . 3]" 1
155 1 15 MET HA 1 18 PHE HB3 2.800 . 3.100 2.958 2.221 3.169 0.069 27 0 "[ . 1 . 2 . 3]" 1
156 1 15 MET HB2 1 16 TRP H 5.000 . 5.500 3.210 2.579 3.670 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 15 MET HB3 1 16 TRP H 5.000 . 5.500 2.754 2.385 3.193 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 15 MET ME 1 18 PHE QD 2.800 . 6.100 3.868 2.596 4.696 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 15 MET ME 1 18 PHE QE 5.000 . 8.500 4.699 3.570 5.577 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 15 MET HG2 1 16 TRP H 6.000 . 6.600 4.759 4.343 5.085 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 15 MET HG3 1 16 TRP H 6.000 . 6.600 4.759 4.022 5.257 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 16 TRP H 1 17 ASN H 2.800 . 3.100 2.642 2.577 2.733 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 16 TRP HA 1 17 ASN H 5.000 . 5.500 3.549 3.528 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 16 TRP HA 1 18 PHE H 6.000 . 6.600 4.241 4.050 4.490 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 16 TRP HA 1 19 ILE HB 2.800 . 3.100 2.292 2.080 2.569 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 16 TRP HA 1 19 ILE HG12 6.000 . 6.600 4.117 3.278 5.018 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 16 TRP HA 1 19 ILE HG13 5.000 . 5.500 4.326 3.085 5.430 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 16 TRP HA 1 20 SER H 6.000 . 6.600 3.992 3.705 4.339 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 16 TRP HB2 1 17 ASN H 5.000 . 5.500 3.702 3.377 3.891 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 16 TRP HB3 1 17 ASN H 5.000 . 5.500 2.866 2.443 3.000 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 16 TRP HD1 1 17 ASN HA 5.000 . 5.500 5.370 4.249 5.978 0.478 3 0 "[ . 1 . 2 . 3]" 1
172 1 16 TRP HD1 1 19 ILE MG 3.900 . 6.300 5.002 3.242 5.176 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 16 TRP HE3 1 17 ASN HA 6.000 . 6.600 6.474 2.815 6.837 0.237 20 0 "[ . 1 . 2 . 3]" 1
174 1 16 TRP HE3 1 19 ILE MG 3.900 . 6.300 3.544 2.885 5.321 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 17 ASN H 1 18 PHE H 2.800 . 3.100 2.622 2.568 2.743 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 17 ASN HA 1 18 PHE H 3.900 . 4.300 3.557 3.533 3.574 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 17 ASN HA 1 19 ILE H 5.000 . 5.500 4.310 3.673 4.504 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 17 ASN HA 1 20 SER H 2.800 . 3.100 3.193 3.130 3.340 0.240 16 0 "[ . 1 . 2 . 3]" 1
179 1 17 ASN HA 1 20 SER HB2 3.900 . 4.300 2.753 2.047 4.416 0.116 30 0 "[ . 1 . 2 . 3]" 1
180 1 17 ASN HA 1 20 SER HB3 3.900 . 4.300 3.270 2.142 4.367 0.067 8 0 "[ . 1 . 2 . 3]" 1
181 1 17 ASN HA 1 21 GLY H 5.000 . 5.500 4.030 2.495 4.446 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 17 ASN HB2 1 18 PHE H 5.000 . 5.500 3.759 3.465 3.974 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 17 ASN HB3 1 18 PHE H 3.900 . 4.300 2.617 2.455 2.841 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 18 PHE H 1 19 ILE H 2.800 . 3.100 2.621 2.536 2.691 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 18 PHE HA 1 19 ILE H 3.900 . 4.300 3.547 3.445 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 18 PHE HA 1 20 SER H 5.000 . 5.500 4.592 4.406 5.090 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 18 PHE HA 1 21 GLY H 5.000 . 5.500 3.780 3.568 4.606 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 18 PHE HA 1 22 ILE H 6.000 . 6.600 4.427 3.837 4.850 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 18 PHE HB2 1 19 ILE H 3.900 . 4.300 3.767 3.651 4.103 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 18 PHE HB3 1 19 ILE H 3.900 . 4.300 2.486 2.315 3.257 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 18 PHE QD 1 19 ILE HA 5.000 . 6.500 3.659 3.326 4.333 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 18 PHE QD 1 19 ILE HB 6.000 . 7.600 4.662 3.507 5.224 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 18 PHE QD 1 19 ILE MD 2.800 . 6.100 2.795 1.863 3.834 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 18 PHE QD 1 19 ILE HG12 5.000 . 6.500 4.182 2.880 4.885 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 18 PHE QD 1 19 ILE HG13 5.000 . 6.500 3.753 2.277 4.953 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 18 PHE QD 1 22 ILE MD 3.900 . 7.300 3.445 2.497 5.135 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 18 PHE QD 1 22 ILE MG 5.000 . 8.500 5.324 4.586 5.797 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 18 PHE QE 1 22 ILE MD 2.800 . 6.100 3.010 2.260 4.585 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 18 PHE QE 1 22 ILE HG13 5.000 . 6.500 4.316 2.955 5.715 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 18 PHE QE 1 22 ILE MG 5.000 . 8.500 4.867 4.034 5.448 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 19 ILE H 1 20 SER H 2.800 . 3.100 2.616 2.167 2.776 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 19 ILE H 1 21 GLY H 6.000 . 6.600 4.180 3.439 4.436 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 19 ILE HA 1 20 SER H 5.000 . 5.500 3.585 3.550 3.625 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 19 ILE HA 1 21 GLY H 6.000 . 6.600 4.457 4.304 4.974 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 19 ILE HA 1 22 ILE H 3.900 . 4.300 3.584 3.364 3.991 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 19 ILE HA 1 22 ILE HB 2.800 . 3.100 2.727 2.421 3.122 0.022 8 0 "[ . 1 . 2 . 3]" 1
207 1 19 ILE HA 1 22 ILE MD 3.900 . 6.300 3.484 1.917 5.148 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 19 ILE HA 1 22 ILE HG12 5.000 . 5.500 4.708 3.411 5.461 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 19 ILE HA 1 22 ILE MG 3.900 . 6.300 3.935 3.532 4.321 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 19 ILE HA 1 23 GLN H 5.000 . 5.500 3.889 3.677 4.231 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 19 ILE HB 1 20 SER H 2.800 . 3.100 2.828 2.548 3.250 0.150 3 0 "[ . 1 . 2 . 3]" 1
212 1 19 ILE HG12 1 20 SER H 6.000 . 6.600 5.026 4.436 5.359 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 19 ILE HG13 1 20 SER H 5.000 . 5.500 4.911 4.690 5.108 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 19 ILE MG 1 23 GLN HE21 3.900 . 6.300 3.943 2.360 5.332 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 19 ILE MG 1 23 GLN HE22 5.000 . 7.500 3.836 2.182 6.220 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 20 SER H 1 21 GLY H 2.800 . 3.100 2.775 2.512 2.951 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 20 SER H 1 22 ILE H 5.000 . 5.500 4.331 3.896 4.499 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 20 SER HA 1 21 GLY H 3.900 . 4.300 3.585 3.546 3.603 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 20 SER HA 1 22 ILE H 5.000 . 5.500 4.640 4.392 4.817 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 20 SER HA 1 23 GLN H 3.900 . 4.300 3.521 3.304 3.813 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 20 SER HA 1 23 GLN HB2 3.900 . 4.300 3.155 2.082 4.380 0.080 8 0 "[ . 1 . 2 . 3]" 1
222 1 20 SER HA 1 23 GLN HB3 2.800 . 3.100 2.792 2.159 3.225 0.125 23 0 "[ . 1 . 2 . 3]" 1
223 1 20 SER HA 1 23 GLN HG2 3.900 . 4.300 4.049 1.724 4.451 0.151 21 0 "[ . 1 . 2 . 3]" 1
224 1 20 SER HA 1 23 GLN HG3 5.000 . 5.500 4.978 2.568 5.506 0.006 17 0 "[ . 1 . 2 . 3]" 1
225 1 20 SER HA 1 24 TYR H 5.000 . 5.500 4.088 3.648 5.556 0.056 26 0 "[ . 1 . 2 . 3]" 1
226 1 20 SER HB2 1 21 GLY H 5.000 . 5.500 3.314 2.445 4.066 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 20 SER HB3 1 21 GLY H 5.000 . 5.500 3.184 2.391 4.168 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 21 GLY H 1 23 GLN H 5.000 . 5.500 4.077 3.943 4.223 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 21 GLY QA 1 22 ILE H 2.800 . 4.100 2.668 2.624 2.750 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 21 GLY QA 1 24 TYR H 3.900 . 5.300 3.561 3.440 4.202 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 21 GLY QA 1 24 TYR HB2 5.000 . 6.500 3.660 3.185 4.476 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 21 GLY QA 1 24 TYR HB3 5.000 . 6.500 2.803 2.386 3.709 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 21 GLY QA 1 25 LEU H 5.000 . 6.500 4.168 3.663 5.158 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 22 ILE H 1 23 GLN H 2.800 . 3.100 2.686 2.608 2.746 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 22 ILE H 1 24 TYR H 5.000 . 5.500 4.143 3.933 4.596 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 22 ILE HA 1 23 GLN H 3.900 . 4.300 3.577 3.554 3.603 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 22 ILE HA 1 24 TYR H 5.000 . 5.500 4.300 3.726 4.521 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 22 ILE HA 1 25 LEU H 3.900 . 4.300 3.535 3.257 3.979 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 22 ILE HA 1 25 LEU HB2 3.900 . 4.300 2.863 2.339 3.583 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 22 ILE HA 1 25 LEU QD 2.800 . 5.500 3.433 2.954 4.000 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 22 ILE HA 1 26 ALA H 5.000 . 5.500 4.137 3.236 4.901 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 22 ILE HB 1 23 GLN H 2.800 . 3.100 2.606 2.333 2.955 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 22 ILE MD 1 23 GLN H 6.000 . 8.600 4.467 4.035 4.724 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 22 ILE HG12 1 23 GLN H 6.000 . 6.600 4.872 4.167 5.310 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 22 ILE HG13 1 23 GLN H 6.000 . 6.600 4.622 4.274 5.059 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 22 ILE MG 1 23 GLN H 3.900 . 6.300 3.241 2.823 3.482 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 23 GLN H 1 24 TYR H 2.800 . 3.100 2.736 2.631 3.165 0.065 26 0 "[ . 1 . 2 . 3]" 1
248 1 23 GLN H 1 25 LEU H 5.000 . 5.500 4.354 4.093 4.730 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 23 GLN HA 1 24 TYR H 2.800 . 3.100 3.483 2.799 3.523 0.423 22 0 "[ . 1 . 2 . 3]" 1
250 1 23 GLN HA 1 25 LEU H 5.000 . 5.500 4.583 4.032 4.972 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 23 GLN HA 1 26 ALA H 3.900 . 4.300 3.640 3.159 4.444 0.144 26 0 "[ . 1 . 2 . 3]" 1
252 1 23 GLN HA 1 26 ALA MB 2.800 . 5.100 2.693 1.927 3.858 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 23 GLN HB2 1 24 TYR H 5.000 . 5.500 3.695 2.903 4.600 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 23 GLN HB3 1 24 TYR H 3.900 . 4.300 2.832 2.450 4.229 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 23 GLN HG2 1 24 TYR H 5.000 . 5.500 4.483 2.683 5.474 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 23 GLN HG3 1 24 TYR H 6.000 . 6.600 4.293 2.183 5.084 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 24 TYR H 1 25 LEU H 2.800 . 3.100 2.675 2.203 2.868 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 24 TYR H 1 26 ALA H 6.000 . 6.600 4.034 2.848 4.548 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 24 TYR HA 1 25 LEU H 5.000 . 5.500 3.576 3.488 3.603 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 24 TYR HA 1 26 ALA H 6.000 . 6.600 4.510 3.925 5.463 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 24 TYR HA 1 27 GLY H 5.000 . 5.500 4.281 3.581 5.708 0.208 27 0 "[ . 1 . 2 . 3]" 1
262 1 24 TYR HB2 1 25 LEU H 3.900 . 4.300 3.917 3.637 4.302 0.002 11 0 "[ . 1 . 2 . 3]" 1
263 1 24 TYR HB3 1 25 LEU H 3.900 . 4.300 2.568 2.259 3.295 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 24 TYR QD 1 25 LEU HA 3.900 . 5.300 3.670 3.068 4.611 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 24 TYR QD 1 25 LEU QD 2.800 . 6.100 2.037 1.816 2.533 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 24 TYR QD 1 25 LEU HG 3.900 . 5.300 3.798 2.765 5.027 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 24 TYR QD 1 28 LEU MD1 3.900 . 7.300 3.856 2.619 5.231 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 24 TYR QD 1 28 LEU MD2 5.000 . 8.500 4.390 3.081 6.132 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 24 TYR QD 1 28 LEU HG 6.000 . 7.600 5.154 2.247 6.543 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 24 TYR QE 1 25 LEU HA 6.000 . 7.600 4.510 4.068 5.650 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 24 TYR QE 1 25 LEU QD 3.900 . 7.700 3.219 2.527 3.971 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 24 TYR QE 1 25 LEU HG 6.000 . 7.600 4.315 3.543 5.031 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 24 TYR QE 1 28 LEU MD1 2.800 . 6.100 2.950 2.150 4.505 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 24 TYR QE 1 28 LEU MD2 3.900 . 7.300 3.308 1.996 5.352 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 24 TYR QE 1 28 LEU HG 6.000 . 7.600 4.358 2.096 6.275 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 25 LEU H 1 26 ALA H 2.800 . 3.100 2.668 2.254 2.964 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 25 LEU H 1 27 GLY H 6.000 . 6.600 4.451 3.366 5.248 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 25 LEU HA 1 26 ALA H 3.900 . 4.300 3.545 3.423 3.603 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 25 LEU HA 1 27 GLY H 5.000 . 5.500 4.135 3.533 4.507 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 25 LEU HA 1 28 LEU H 2.800 . 3.100 3.291 3.046 3.580 0.480 9 0 "[ . 1 . 2 . 3]" 1
281 1 25 LEU HB2 1 26 ALA H 3.900 . 4.300 3.073 2.626 3.685 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 25 LEU HB3 1 26 ALA H 2.800 . 3.100 3.249 3.101 3.483 0.383 25 0 "[ . 1 . 2 . 3]" 1
283 1 25 LEU QD 1 26 ALA H 5.000 . 8.000 4.121 3.897 4.411 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 26 ALA H 1 27 GLY H 2.800 . 3.100 2.927 2.692 3.447 0.347 26 0 "[ . 1 . 2 . 3]" 1
285 1 26 ALA H 1 28 LEU H 6.000 . 6.600 4.116 3.883 4.496 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 26 ALA HA 1 27 GLY H 3.900 . 4.300 3.431 2.697 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 26 ALA HA 1 28 LEU H 6.000 . 6.600 4.679 4.138 5.359 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 26 ALA HA 1 29 SER H 5.000 . 5.500 5.155 3.858 5.845 0.345 24 0 "[ . 1 . 2 . 3]" 1
289 1 26 ALA MB 1 27 GLY H 2.800 . 5.100 2.721 2.308 3.726 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 27 GLY H 1 28 LEU H 2.800 . 3.100 2.374 2.061 2.629 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 27 GLY QA 1 28 LEU H 2.800 . 4.100 2.837 2.608 3.018 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 28 LEU H 1 29 SER H 2.800 . 3.100 2.918 2.251 3.283 0.183 6 0 "[ . 1 . 2 . 3]" 1
293 1 28 LEU HA 1 29 SER H 2.800 . 3.100 2.834 2.425 3.195 0.095 8 0 "[ . 1 . 2 . 3]" 1
294 1 28 LEU HA 1 30 THR H 6.000 . 6.600 5.473 3.711 6.712 0.112 12 0 "[ . 1 . 2 . 3]" 1
295 1 28 LEU HB2 1 29 SER H 5.000 . 5.500 4.492 3.989 4.656 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 28 LEU HB3 1 29 SER H 3.900 . 4.300 4.249 3.921 4.501 0.201 15 0 "[ . 1 . 2 . 3]" 1
297 1 28 LEU MD1 1 29 SER H 6.000 . 8.600 5.076 3.949 5.610 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 28 LEU MD2 1 29 SER H 6.000 . 8.600 4.967 4.024 5.639 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 28 LEU HG 1 29 SER H 5.000 . 5.500 4.660 3.324 5.177 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 29 SER HB2 1 30 THR H 3.900 . 4.300 3.652 1.876 4.426 0.126 22 0 "[ . 1 . 2 . 3]" 1
301 1 29 SER HB3 1 30 THR H 5.000 . 5.500 3.265 2.119 4.453 . 0 0 "[ . 1 . 2 . 3]" 1
stop_
save_
Contact the webmaster for help, if required. Wednesday, May 29, 2024 11:54:33 AM GMT (wattos1)