NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
434313 |
2jwt   |
15536 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jwt
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 675
_Distance_constraint_stats_list.Viol_count 548
_Distance_constraint_stats_list.Viol_total 268.417
_Distance_constraint_stats_list.Viol_max 0.097
_Distance_constraint_stats_list.Viol_rms 0.0047
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0196
_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 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 4 LYS 0.030 0.016 11 0 "[ . 1 . 2 .]"
1 5 ARG 0.030 0.016 11 0 "[ . 1 . 2 .]"
1 6 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 7 ARG 0.061 0.054 12 0 "[ . 1 . 2 .]"
1 8 THR 0.068 0.054 12 0 "[ . 1 . 2 .]"
1 9 ALA 0.539 0.097 13 0 "[ . 1 . 2 .]"
1 10 PHE 0.613 0.097 13 0 "[ . 1 . 2 .]"
1 11 SER 0.377 0.048 9 0 "[ . 1 . 2 .]"
1 12 SER 0.471 0.040 7 0 "[ . 1 . 2 .]"
1 13 GLU 0.245 0.025 17 0 "[ . 1 . 2 .]"
1 14 GLN 0.424 0.048 9 0 "[ . 1 . 2 .]"
1 15 LEU 1.384 0.058 17 0 "[ . 1 . 2 .]"
1 16 ALA 0.764 0.058 17 0 "[ . 1 . 2 .]"
1 17 ARG 0.530 0.037 17 0 "[ . 1 . 2 .]"
1 18 LEU 0.121 0.018 15 0 "[ . 1 . 2 .]"
1 19 LYS 0.282 0.029 25 0 "[ . 1 . 2 .]"
1 20 ARG 0.148 0.019 21 0 "[ . 1 . 2 .]"
1 21 GLU 0.144 0.019 21 0 "[ . 1 . 2 .]"
1 22 PHE 0.046 0.011 9 0 "[ . 1 . 2 .]"
1 23 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 24 GLU 0.133 0.021 22 0 "[ . 1 . 2 .]"
1 25 ASN 0.150 0.021 22 0 "[ . 1 . 2 .]"
1 26 ARG 0.072 0.029 11 0 "[ . 1 . 2 .]"
1 27 TYR 0.980 0.064 16 0 "[ . 1 . 2 .]"
1 28 LEU 4.624 0.085 12 0 "[ . 1 . 2 .]"
1 29 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 30 GLU 0.385 0.033 16 0 "[ . 1 . 2 .]"
1 31 ARG 0.083 0.039 15 0 "[ . 1 . 2 .]"
1 32 ARG 1.607 0.085 12 0 "[ . 1 . 2 .]"
1 33 ARG 1.195 0.049 3 0 "[ . 1 . 2 .]"
1 34 GLN 0.511 0.038 25 0 "[ . 1 . 2 .]"
1 35 GLN 0.099 0.022 6 0 "[ . 1 . 2 .]"
1 36 LEU 0.228 0.041 7 0 "[ . 1 . 2 .]"
1 37 SER 1.012 0.056 20 0 "[ . 1 . 2 .]"
1 38 SER 0.930 0.056 20 0 "[ . 1 . 2 .]"
1 39 GLU 0.019 0.017 7 0 "[ . 1 . 2 .]"
1 40 LEU 0.013 0.012 1 0 "[ . 1 . 2 .]"
1 41 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 42 LEU 0.009 0.004 10 0 "[ . 1 . 2 .]"
1 43 ASN 0.004 0.004 5 0 "[ . 1 . 2 .]"
1 44 GLU 0.035 0.013 3 0 "[ . 1 . 2 .]"
1 45 ALA 0.158 0.023 8 0 "[ . 1 . 2 .]"
1 46 GLN 0.213 0.023 8 0 "[ . 1 . 2 .]"
1 47 ILE 0.035 0.017 11 0 "[ . 1 . 2 .]"
1 48 LYS 0.022 0.008 13 0 "[ . 1 . 2 .]"
1 49 ILE 0.122 0.018 11 0 "[ . 1 . 2 .]"
1 50 TRP 1.597 0.051 19 0 "[ . 1 . 2 .]"
1 51 PHE 0.220 0.031 5 0 "[ . 1 . 2 .]"
1 52 GLN 0.104 0.022 3 0 "[ . 1 . 2 .]"
1 53 ASN 0.157 0.014 4 0 "[ . 1 . 2 .]"
1 54 LYS 0.121 0.043 12 0 "[ . 1 . 2 .]"
1 55 ARG 0.139 0.022 3 0 "[ . 1 . 2 .]"
1 56 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 57 LYS 0.070 0.043 12 0 "[ . 1 . 2 .]"
1 58 ILE 0.077 0.014 12 0 "[ . 1 . 2 .]"
1 59 LYS 0.053 0.014 12 0 "[ . 1 . 2 .]"
1 60 LYS 0.021 0.008 5 0 "[ . 1 . 2 .]"
1 61 SER 0.000 0.000 . 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 GLU HA 1 4 LYS H 4.000 . 5.500 2.671 2.138 3.570 . 0 0 "[ . 1 . 2 .]" 1
2 1 3 GLU QB 1 4 LYS H 4.000 . 5.500 3.377 2.255 3.995 . 0 0 "[ . 1 . 2 .]" 1
3 1 3 GLU H 1 4 LYS H 4.000 . 5.500 3.382 1.901 4.627 . 0 0 "[ . 1 . 2 .]" 1
4 1 4 LYS HA 1 5 ARG H 4.000 . 5.500 2.921 2.145 3.569 . 0 0 "[ . 1 . 2 .]" 1
5 1 4 LYS QB 1 5 ARG H 4.000 . 5.500 2.915 1.969 3.940 . 0 0 "[ . 1 . 2 .]" 1
6 1 4 LYS QG 1 5 ARG QD 4.000 . 5.500 4.745 2.111 5.516 0.016 11 0 "[ . 1 . 2 .]" 1
7 1 4 LYS H 1 5 ARG H 4.000 . 5.500 3.335 1.821 4.605 . 0 0 "[ . 1 . 2 .]" 1
8 1 5 ARG HA 1 6 PRO QD 2.200 . 2.700 2.039 1.894 2.391 . 0 0 "[ . 1 . 2 .]" 1
9 1 5 ARG HA 1 6 PRO QG 4.000 . 5.500 3.942 3.805 4.277 . 0 0 "[ . 1 . 2 .]" 1
10 1 5 ARG QB 1 6 PRO QD 4.000 . 5.500 3.372 1.929 3.864 . 0 0 "[ . 1 . 2 .]" 1
11 1 6 PRO HA 1 7 ARG QB 4.000 . 5.500 4.213 3.874 5.155 . 0 0 "[ . 1 . 2 .]" 1
12 1 6 PRO HA 1 7 ARG H 4.000 . 5.500 2.699 2.147 3.574 . 0 0 "[ . 1 . 2 .]" 1
13 1 6 PRO QB 1 7 ARG H 3.000 . 3.600 2.786 1.965 3.543 . 0 0 "[ . 1 . 2 .]" 1
14 1 7 ARG HA 1 8 THR H 4.000 . 5.500 2.658 2.144 3.569 . 0 0 "[ . 1 . 2 .]" 1
15 1 7 ARG QB 1 8 THR H 4.000 . 5.500 3.208 1.917 4.034 . 0 0 "[ . 1 . 2 .]" 1
16 1 7 ARG QD 1 8 THR H 4.000 . 5.500 4.335 2.739 5.436 . 0 0 "[ . 1 . 2 .]" 1
17 1 7 ARG HE 1 8 THR H 4.000 . 5.500 4.934 4.293 5.489 . 0 0 "[ . 1 . 2 .]" 1
18 1 7 ARG QG 1 8 THR H 4.000 . 5.500 2.769 1.962 4.604 . 0 0 "[ . 1 . 2 .]" 1
19 1 7 ARG QG 1 10 PHE QE 4.000 . 5.500 4.801 2.547 5.476 . 0 0 "[ . 1 . 2 .]" 1
20 1 7 ARG H 1 8 THR MG 4.000 . 5.500 4.798 3.576 5.554 0.054 12 0 "[ . 1 . 2 .]" 1
21 1 7 ARG H 1 8 THR H 4.000 . 5.500 3.611 1.887 4.569 . 0 0 "[ . 1 . 2 .]" 1
22 1 8 THR HA 1 9 ALA H 4.000 . 5.500 2.690 2.146 3.568 . 0 0 "[ . 1 . 2 .]" 1
23 1 8 THR HB 1 9 ALA H 4.000 . 5.500 3.861 2.520 4.414 . 0 0 "[ . 1 . 2 .]" 1
24 1 8 THR MG 1 9 ALA H 4.000 . 5.500 3.678 2.097 4.436 . 0 0 "[ . 1 . 2 .]" 1
25 1 8 THR MG 1 10 PHE QE 3.000 . 3.600 2.790 1.960 3.601 0.001 19 0 "[ . 1 . 2 .]" 1
26 1 8 THR MG 1 10 PHE H 4.000 . 5.500 4.787 3.010 5.506 0.006 13 0 "[ . 1 . 2 .]" 1
27 1 9 ALA HA 1 10 PHE QB 4.000 . 5.500 4.558 4.299 4.990 . 0 0 "[ . 1 . 2 .]" 1
28 1 9 ALA HA 1 10 PHE QD 4.000 . 5.500 3.961 2.930 4.930 . 0 0 "[ . 1 . 2 .]" 1
29 1 9 ALA HA 1 10 PHE H 2.200 . 2.700 2.287 2.139 2.712 0.012 25 0 "[ . 1 . 2 .]" 1
30 1 9 ALA MB 1 10 PHE QD 4.000 . 5.500 4.614 3.931 5.200 . 0 0 "[ . 1 . 2 .]" 1
31 1 9 ALA MB 1 10 PHE H 3.000 . 3.600 3.444 2.843 3.697 0.097 13 0 "[ . 1 . 2 .]" 1
32 1 9 ALA H 1 10 PHE QD 4.000 . 5.500 4.316 2.144 5.467 . 0 0 "[ . 1 . 2 .]" 1
33 1 10 PHE HA 1 11 SER H 4.000 . 5.500 2.563 2.216 2.883 . 0 0 "[ . 1 . 2 .]" 1
34 1 10 PHE QB 1 14 GLN QB 4.000 . 5.500 2.621 2.119 3.196 . 0 0 "[ . 1 . 2 .]" 1
35 1 10 PHE QB 1 14 GLN H 4.000 . 5.500 4.708 4.344 5.200 . 0 0 "[ . 1 . 2 .]" 1
36 1 10 PHE QB 1 15 LEU MD1 4.000 . 5.500 3.346 2.568 3.851 . 0 0 "[ . 1 . 2 .]" 1
37 1 10 PHE QB 1 15 LEU MD2 3.000 . 3.600 2.188 1.865 3.557 . 0 0 "[ . 1 . 2 .]" 1
38 1 10 PHE QB 1 15 LEU HG 4.000 . 5.500 3.090 1.989 4.347 . 0 0 "[ . 1 . 2 .]" 1
39 1 10 PHE QB 1 15 LEU H 4.000 . 5.500 3.770 3.018 4.117 . 0 0 "[ . 1 . 2 .]" 1
40 1 10 PHE QB 1 11 SER H 3.000 . 3.600 2.161 1.866 2.887 . 0 0 "[ . 1 . 2 .]" 1
41 1 10 PHE QD 1 14 GLN QG 4.000 . 5.500 4.601 3.694 5.503 0.003 14 0 "[ . 1 . 2 .]" 1
42 1 10 PHE QD 1 15 LEU MD1 4.000 . 5.500 4.141 3.356 4.817 . 0 0 "[ . 1 . 2 .]" 1
43 1 10 PHE QD 1 15 LEU MD2 4.000 . 5.500 3.011 2.244 4.124 . 0 0 "[ . 1 . 2 .]" 1
44 1 10 PHE QD 1 15 LEU H 4.000 . 5.500 5.180 4.676 5.519 0.019 15 0 "[ . 1 . 2 .]" 1
45 1 10 PHE QD 1 18 LEU MD1 3.000 . 3.600 2.944 2.239 3.336 . 0 0 "[ . 1 . 2 .]" 1
46 1 10 PHE QD 1 42 LEU MD1 3.000 . 3.600 2.417 1.949 3.237 . 0 0 "[ . 1 . 2 .]" 1
47 1 10 PHE QD 1 42 LEU MD2 2.200 . 2.700 2.437 1.928 2.703 0.003 10 0 "[ . 1 . 2 .]" 1
48 1 10 PHE QD 1 11 SER H 4.000 . 5.500 3.740 3.294 4.067 . 0 0 "[ . 1 . 2 .]" 1
49 1 10 PHE QE 1 15 LEU MD2 4.000 . 5.500 4.326 3.760 4.928 . 0 0 "[ . 1 . 2 .]" 1
50 1 10 PHE QE 1 18 LEU MD1 3.000 . 3.600 3.268 2.752 3.583 . 0 0 "[ . 1 . 2 .]" 1
51 1 10 PHE QE 1 42 LEU QB 4.000 . 5.500 3.512 2.888 4.321 . 0 0 "[ . 1 . 2 .]" 1
52 1 10 PHE QE 1 42 LEU MD1 3.000 . 3.600 2.739 2.001 3.388 . 0 0 "[ . 1 . 2 .]" 1
53 1 10 PHE QE 1 42 LEU MD2 3.000 . 3.600 2.557 1.949 3.197 . 0 0 "[ . 1 . 2 .]" 1
54 1 10 PHE QE 1 46 GLN HA 4.000 . 5.500 4.736 4.355 5.344 . 0 0 "[ . 1 . 2 .]" 1
55 1 10 PHE QE 1 46 GLN QB 3.000 . 3.600 2.909 2.443 3.370 . 0 0 "[ . 1 . 2 .]" 1
56 1 10 PHE QE 1 46 GLN QG 4.000 . 5.500 3.949 1.998 5.004 . 0 0 "[ . 1 . 2 .]" 1
57 1 10 PHE QE 1 47 ILE HA 4.000 . 5.500 3.898 3.148 4.628 . 0 0 "[ . 1 . 2 .]" 1
58 1 10 PHE QE 1 50 TRP HA 4.000 . 5.500 4.600 3.772 5.362 . 0 0 "[ . 1 . 2 .]" 1
59 1 10 PHE QE 1 50 TRP QB 3.000 . 3.600 3.080 1.934 3.585 . 0 0 "[ . 1 . 2 .]" 1
60 1 10 PHE QE 1 50 TRP HE1 4.000 . 5.500 4.985 3.957 5.478 . 0 0 "[ . 1 . 2 .]" 1
61 1 10 PHE QE 1 50 TRP H 4.000 . 5.500 4.853 4.288 5.433 . 0 0 "[ . 1 . 2 .]" 1
62 1 10 PHE H 1 15 LEU MD1 4.000 . 5.500 4.969 3.718 5.508 0.008 18 0 "[ . 1 . 2 .]" 1
63 1 10 PHE H 1 11 SER H 4.000 . 5.500 4.471 4.287 4.630 . 0 0 "[ . 1 . 2 .]" 1
64 1 10 PHE HZ 1 18 LEU MD1 4.000 . 5.500 4.717 4.212 5.122 . 0 0 "[ . 1 . 2 .]" 1
65 1 10 PHE HZ 1 42 LEU MD1 4.000 . 5.500 4.600 3.783 5.456 . 0 0 "[ . 1 . 2 .]" 1
66 1 10 PHE HZ 1 42 LEU MD2 4.000 . 5.500 4.121 3.557 4.676 . 0 0 "[ . 1 . 2 .]" 1
67 1 10 PHE HZ 1 46 GLN HA 4.000 . 5.500 3.794 3.329 4.501 . 0 0 "[ . 1 . 2 .]" 1
68 1 10 PHE HZ 1 46 GLN QB 3.000 . 3.600 2.621 1.917 3.541 . 0 0 "[ . 1 . 2 .]" 1
69 1 10 PHE HZ 1 46 GLN QG 4.000 . 5.500 3.733 1.960 4.938 . 0 0 "[ . 1 . 2 .]" 1
70 1 10 PHE HZ 1 47 ILE HA 4.000 . 5.500 4.194 3.408 5.066 . 0 0 "[ . 1 . 2 .]" 1
71 1 10 PHE HZ 1 50 TRP HA 4.000 . 5.500 4.831 4.103 5.463 . 0 0 "[ . 1 . 2 .]" 1
72 1 10 PHE HZ 1 50 TRP QB 3.000 . 3.600 2.885 2.345 3.395 . 0 0 "[ . 1 . 2 .]" 1
73 1 10 PHE HZ 1 50 TRP H 4.000 . 5.500 4.262 3.575 4.945 . 0 0 "[ . 1 . 2 .]" 1
74 1 11 SER HA 1 12 SER H 4.000 . 5.500 2.351 2.291 2.413 . 0 0 "[ . 1 . 2 .]" 1
75 1 11 SER HA 1 13 GLU H 4.000 . 5.500 4.339 4.170 4.502 . 0 0 "[ . 1 . 2 .]" 1
76 1 11 SER HA 1 14 GLN H 4.000 . 5.500 4.561 4.481 4.625 . 0 0 "[ . 1 . 2 .]" 1
77 1 11 SER QB 1 12 SER H 4.000 . 5.500 2.678 2.568 2.810 . 0 0 "[ . 1 . 2 .]" 1
78 1 11 SER QB 1 13 GLU H 4.000 . 5.500 3.239 3.091 3.413 . 0 0 "[ . 1 . 2 .]" 1
79 1 11 SER QB 1 14 GLN H 4.000 . 5.500 3.518 3.453 3.555 . 0 0 "[ . 1 . 2 .]" 1
80 1 11 SER H 1 14 GLN HA 4.000 . 5.500 5.055 4.918 5.279 . 0 0 "[ . 1 . 2 .]" 1
81 1 11 SER H 1 14 GLN QB 3.000 . 3.600 2.093 1.936 2.393 . 0 0 "[ . 1 . 2 .]" 1
82 1 11 SER H 1 14 GLN QG 3.000 . 3.600 3.473 3.114 3.615 0.015 19 0 "[ . 1 . 2 .]" 1
83 1 11 SER H 1 14 GLN H 3.000 . 3.600 3.578 3.469 3.648 0.048 9 0 "[ . 1 . 2 .]" 1
84 1 11 SER H 1 15 LEU MD1 4.000 . 5.500 5.366 4.943 5.531 0.031 15 0 "[ . 1 . 2 .]" 1
85 1 11 SER H 1 15 LEU H 4.000 . 5.500 3.780 3.451 4.057 . 0 0 "[ . 1 . 2 .]" 1
86 1 11 SER H 1 42 LEU MD1 4.000 . 5.500 4.298 3.697 4.933 . 0 0 "[ . 1 . 2 .]" 1
87 1 12 SER QB 1 13 GLU H 2.200 . 2.700 2.610 2.442 2.723 0.023 15 0 "[ . 1 . 2 .]" 1
88 1 12 SER QB 1 15 LEU MD1 4.000 . 5.500 5.475 5.195 5.540 0.040 7 0 "[ . 1 . 2 .]" 1
89 1 12 SER QB 1 15 LEU H 4.000 . 5.500 4.948 4.615 5.368 . 0 0 "[ . 1 . 2 .]" 1
90 1 12 SER H 1 13 GLU QB 4.000 . 5.500 4.555 4.416 4.998 . 0 0 "[ . 1 . 2 .]" 1
91 1 12 SER H 1 13 GLU H 3.000 . 3.600 2.797 2.747 2.850 . 0 0 "[ . 1 . 2 .]" 1
92 1 13 GLU HA 1 14 GLN H 3.000 . 3.600 3.544 3.524 3.561 . 0 0 "[ . 1 . 2 .]" 1
93 1 13 GLU HA 1 16 ALA H 3.000 . 3.600 3.535 3.424 3.625 0.025 17 0 "[ . 1 . 2 .]" 1
94 1 13 GLU QB 1 14 GLN H 3.000 . 3.600 2.596 2.409 2.763 . 0 0 "[ . 1 . 2 .]" 1
95 1 13 GLU QG 1 14 GLN H 4.000 . 5.500 4.234 3.727 4.489 . 0 0 "[ . 1 . 2 .]" 1
96 1 13 GLU H 1 14 GLN H 2.200 . 2.700 2.662 2.597 2.722 0.022 14 0 "[ . 1 . 2 .]" 1
97 1 13 GLU H 1 16 ALA MB 4.000 . 5.500 4.628 4.256 5.037 . 0 0 "[ . 1 . 2 .]" 1
98 1 14 GLN HA 1 15 LEU H 4.000 . 5.500 3.523 3.474 3.565 . 0 0 "[ . 1 . 2 .]" 1
99 1 14 GLN HA 1 17 ARG QB 3.000 . 3.600 2.901 2.492 3.268 . 0 0 "[ . 1 . 2 .]" 1
100 1 14 GLN HA 1 17 ARG H 3.000 . 3.600 3.557 3.426 3.623 0.023 23 0 "[ . 1 . 2 .]" 1
101 1 14 GLN HA 1 18 LEU HG 4.000 . 5.500 4.352 3.717 4.999 . 0 0 "[ . 1 . 2 .]" 1
102 1 14 GLN HA 1 18 LEU H 4.000 . 5.500 3.954 3.626 4.242 . 0 0 "[ . 1 . 2 .]" 1
103 1 14 GLN HA 1 40 LEU MD1 3.000 . 3.600 2.739 2.004 3.592 . 0 0 "[ . 1 . 2 .]" 1
104 1 14 GLN HA 1 40 LEU MD2 2.200 . 2.700 2.100 1.837 2.553 . 0 0 "[ . 1 . 2 .]" 1
105 1 14 GLN HA 1 40 LEU HG 4.000 . 5.500 4.615 3.625 5.309 . 0 0 "[ . 1 . 2 .]" 1
106 1 14 GLN HA 1 42 LEU MD1 4.000 . 5.500 4.214 3.349 5.056 . 0 0 "[ . 1 . 2 .]" 1
107 1 14 GLN QB 1 15 LEU H 3.000 . 3.600 2.580 2.307 2.762 . 0 0 "[ . 1 . 2 .]" 1
108 1 14 GLN QB 1 40 LEU MD2 4.000 . 5.500 3.203 2.090 3.864 . 0 0 "[ . 1 . 2 .]" 1
109 1 14 GLN QB 1 40 LEU HG 4.000 . 5.500 5.113 4.390 5.512 0.012 1 0 "[ . 1 . 2 .]" 1
110 1 14 GLN QE 1 41 GLY QA 4.000 . 5.500 4.146 3.319 5.032 . 0 0 "[ . 1 . 2 .]" 1
111 1 14 GLN QE 1 42 LEU QB 4.000 . 5.500 4.693 4.114 5.427 . 0 0 "[ . 1 . 2 .]" 1
112 1 14 GLN QE 1 42 LEU MD1 4.000 . 5.500 2.987 2.458 3.787 . 0 0 "[ . 1 . 2 .]" 1
113 1 14 GLN QE 1 42 LEU MD2 3.000 . 3.600 2.827 2.143 3.512 . 0 0 "[ . 1 . 2 .]" 1
114 1 14 GLN QG 1 40 LEU MD1 4.000 . 5.500 3.057 2.222 4.038 . 0 0 "[ . 1 . 2 .]" 1
115 1 14 GLN QG 1 40 LEU MD2 3.000 . 3.600 2.356 1.837 3.109 . 0 0 "[ . 1 . 2 .]" 1
116 1 14 GLN H 1 15 LEU H 3.000 . 3.600 2.601 2.482 2.729 . 0 0 "[ . 1 . 2 .]" 1
117 1 14 GLN H 1 16 ALA H 4.000 . 5.500 4.072 3.789 4.371 . 0 0 "[ . 1 . 2 .]" 1
118 1 14 GLN H 1 40 LEU MD2 4.000 . 5.500 4.192 3.875 4.845 . 0 0 "[ . 1 . 2 .]" 1
119 1 15 LEU HA 1 16 ALA H 3.000 . 3.600 3.526 3.491 3.559 . 0 0 "[ . 1 . 2 .]" 1
120 1 15 LEU HA 1 17 ARG H 4.000 . 5.500 4.541 4.372 4.737 . 0 0 "[ . 1 . 2 .]" 1
121 1 15 LEU HA 1 18 LEU MD1 2.200 . 2.700 2.438 1.932 2.702 0.002 19 0 "[ . 1 . 2 .]" 1
122 1 15 LEU HA 1 18 LEU H 4.000 . 5.500 3.561 3.424 3.724 . 0 0 "[ . 1 . 2 .]" 1
123 1 15 LEU HA 1 19 LYS H 4.000 . 5.500 3.767 3.592 3.878 . 0 0 "[ . 1 . 2 .]" 1
124 1 15 LEU QB 1 16 ALA H 2.200 . 2.700 2.639 2.484 2.758 0.058 17 0 "[ . 1 . 2 .]" 1
125 1 15 LEU QB 1 18 LEU MD1 4.000 . 5.500 4.272 3.768 4.521 . 0 0 "[ . 1 . 2 .]" 1
126 1 15 LEU MD1 1 19 LYS QE 4.000 . 5.500 3.326 2.200 4.811 . 0 0 "[ . 1 . 2 .]" 1
127 1 15 LEU MD1 1 50 TRP HE1 3.000 . 3.600 2.682 1.992 3.264 . 0 0 "[ . 1 . 2 .]" 1
128 1 15 LEU MD1 1 50 TRP HZ2 3.000 . 3.600 3.499 2.836 3.638 0.038 22 0 "[ . 1 . 2 .]" 1
129 1 15 LEU MD2 1 16 ALA H 4.000 . 5.500 4.352 4.123 4.549 . 0 0 "[ . 1 . 2 .]" 1
130 1 15 LEU MD2 1 18 LEU MD1 3.000 . 3.600 2.597 2.041 2.996 . 0 0 "[ . 1 . 2 .]" 1
131 1 15 LEU MD2 1 19 LYS QE 4.000 . 5.500 4.717 3.098 5.510 0.010 5 0 "[ . 1 . 2 .]" 1
132 1 15 LEU MD2 1 19 LYS H 4.000 . 5.500 4.842 3.436 5.513 0.013 9 0 "[ . 1 . 2 .]" 1
133 1 15 LEU MD2 1 50 TRP HE1 3.000 . 3.600 2.474 1.812 3.605 0.005 18 0 "[ . 1 . 2 .]" 1
134 1 15 LEU MD2 1 50 TRP HZ2 4.000 . 5.500 3.556 1.891 5.073 . 0 0 "[ . 1 . 2 .]" 1
135 1 15 LEU H 1 16 ALA H 2.200 . 2.700 2.627 2.540 2.710 0.010 3 0 "[ . 1 . 2 .]" 1
136 1 15 LEU H 1 17 ARG H 4.000 . 5.500 4.233 4.034 4.389 . 0 0 "[ . 1 . 2 .]" 1
137 1 15 LEU H 1 18 LEU MD1 4.000 . 5.500 3.856 3.500 4.219 . 0 0 "[ . 1 . 2 .]" 1
138 1 16 ALA HA 1 17 ARG H 3.000 . 3.600 3.551 3.537 3.559 . 0 0 "[ . 1 . 2 .]" 1
139 1 16 ALA HA 1 20 ARG H 4.000 . 5.500 4.101 3.898 4.246 . 0 0 "[ . 1 . 2 .]" 1
140 1 16 ALA MB 1 17 ARG H 2.200 . 2.700 2.502 2.353 2.611 . 0 0 "[ . 1 . 2 .]" 1
141 1 16 ALA MB 1 18 LEU H 4.000 . 5.500 4.565 4.470 4.697 . 0 0 "[ . 1 . 2 .]" 1
142 1 16 ALA H 1 17 ARG QB 4.000 . 5.500 4.483 4.361 4.812 . 0 0 "[ . 1 . 2 .]" 1
143 1 16 ALA H 1 17 ARG H 2.200 . 2.700 2.711 2.666 2.737 0.037 17 0 "[ . 1 . 2 .]" 1
144 1 17 ARG HA 1 18 LEU H 3.000 . 3.600 3.549 3.535 3.559 . 0 0 "[ . 1 . 2 .]" 1
145 1 17 ARG QB 1 18 LEU H 2.200 . 2.700 2.487 2.321 2.646 . 0 0 "[ . 1 . 2 .]" 1
146 1 17 ARG QB 1 40 LEU MD2 4.000 . 5.500 2.358 1.825 3.349 . 0 0 "[ . 1 . 2 .]" 1
147 1 17 ARG H 1 18 LEU QB 4.000 . 5.500 4.551 4.343 4.789 . 0 0 "[ . 1 . 2 .]" 1
148 1 17 ARG H 1 18 LEU HG 4.000 . 5.500 4.976 4.347 5.337 . 0 0 "[ . 1 . 2 .]" 1
149 1 17 ARG H 1 18 LEU H 2.200 . 2.700 2.687 2.613 2.718 0.018 15 0 "[ . 1 . 2 .]" 1
150 1 17 ARG H 1 19 LYS H 4.000 . 5.500 4.058 3.874 4.248 . 0 0 "[ . 1 . 2 .]" 1
151 1 17 ARG H 1 40 LEU MD2 4.000 . 5.500 4.101 3.492 4.876 . 0 0 "[ . 1 . 2 .]" 1
152 1 18 LEU HA 1 19 LYS H 4.000 . 5.500 3.534 3.498 3.556 . 0 0 "[ . 1 . 2 .]" 1
153 1 18 LEU HA 1 21 GLU QB 3.000 . 3.600 2.790 2.529 3.079 . 0 0 "[ . 1 . 2 .]" 1
154 1 18 LEU HA 1 21 GLU H 3.000 . 3.600 3.504 3.417 3.590 . 0 0 "[ . 1 . 2 .]" 1
155 1 18 LEU HA 1 22 PHE H 4.000 . 5.500 4.087 3.877 4.303 . 0 0 "[ . 1 . 2 .]" 1
156 1 18 LEU HA 1 51 PHE HZ 4.000 . 5.500 4.425 4.036 4.976 . 0 0 "[ . 1 . 2 .]" 1
157 1 18 LEU QB 1 19 LYS H 2.200 . 2.700 2.592 2.492 2.703 0.003 11 0 "[ . 1 . 2 .]" 1
158 1 18 LEU QB 1 21 GLU H 4.000 . 5.500 4.906 4.808 5.027 . 0 0 "[ . 1 . 2 .]" 1
159 1 18 LEU QB 1 50 TRP HE3 4.000 . 5.500 3.542 3.131 4.034 . 0 0 "[ . 1 . 2 .]" 1
160 1 18 LEU QB 1 50 TRP HH2 4.000 . 5.500 2.900 2.768 3.040 . 0 0 "[ . 1 . 2 .]" 1
161 1 18 LEU QB 1 50 TRP HZ2 4.000 . 5.500 3.104 2.738 3.533 . 0 0 "[ . 1 . 2 .]" 1
162 1 18 LEU MD1 1 19 LYS H 4.000 . 5.500 4.279 4.049 4.541 . 0 0 "[ . 1 . 2 .]" 1
163 1 18 LEU MD1 1 42 LEU MD1 4.000 . 5.500 2.738 2.047 3.165 . 0 0 "[ . 1 . 2 .]" 1
164 1 18 LEU MD1 1 47 ILE HA 4.000 . 5.500 4.080 3.697 4.534 . 0 0 "[ . 1 . 2 .]" 1
165 1 18 LEU MD1 1 50 TRP HE1 4.000 . 5.500 3.798 3.073 4.704 . 0 0 "[ . 1 . 2 .]" 1
166 1 18 LEU MD1 1 50 TRP HE3 4.000 . 5.500 4.308 3.787 4.659 . 0 0 "[ . 1 . 2 .]" 1
167 1 18 LEU MD1 1 50 TRP HH2 4.000 . 5.500 4.831 4.439 5.043 . 0 0 "[ . 1 . 2 .]" 1
168 1 18 LEU MD1 1 50 TRP HZ3 4.000 . 5.500 4.919 4.624 5.202 . 0 0 "[ . 1 . 2 .]" 1
169 1 18 LEU MD1 1 51 PHE QD 4.000 . 5.500 5.050 4.439 5.337 . 0 0 "[ . 1 . 2 .]" 1
170 1 18 LEU MD1 1 51 PHE QE 4.000 . 5.500 4.886 4.503 5.265 . 0 0 "[ . 1 . 2 .]" 1
171 1 18 LEU MD2 1 19 LYS H 4.000 . 5.500 4.808 4.604 4.931 . 0 0 "[ . 1 . 2 .]" 1
172 1 18 LEU MD2 1 36 LEU QB 4.000 . 5.500 3.212 2.627 3.781 . 0 0 "[ . 1 . 2 .]" 1
173 1 18 LEU MD2 1 40 LEU MD1 4.000 . 5.500 2.724 2.055 3.364 . 0 0 "[ . 1 . 2 .]" 1
174 1 18 LEU MD2 1 47 ILE HA 3.000 . 3.600 3.201 2.919 3.535 . 0 0 "[ . 1 . 2 .]" 1
175 1 18 LEU MD2 1 47 ILE QG 4.000 . 5.500 3.025 2.483 4.374 . 0 0 "[ . 1 . 2 .]" 1
176 1 18 LEU MD2 1 47 ILE MG 4.000 . 5.500 2.122 1.873 2.542 . 0 0 "[ . 1 . 2 .]" 1
177 1 18 LEU MD2 1 50 TRP HD1 4.000 . 5.500 5.030 4.389 5.507 0.007 12 0 "[ . 1 . 2 .]" 1
178 1 18 LEU MD2 1 50 TRP HE3 4.000 . 5.500 2.973 2.488 3.526 . 0 0 "[ . 1 . 2 .]" 1
179 1 18 LEU MD2 1 50 TRP HZ3 4.000 . 5.500 3.470 2.919 3.993 . 0 0 "[ . 1 . 2 .]" 1
180 1 18 LEU MD2 1 51 PHE QD 3.000 . 3.600 3.091 2.648 3.484 . 0 0 "[ . 1 . 2 .]" 1
181 1 18 LEU MD2 1 51 PHE QE 2.200 . 2.700 2.327 1.971 2.619 . 0 0 "[ . 1 . 2 .]" 1
182 1 18 LEU MD2 1 51 PHE HZ 4.000 . 5.500 4.147 3.442 4.535 . 0 0 "[ . 1 . 2 .]" 1
183 1 18 LEU HG 1 19 LYS H 4.000 . 5.500 4.596 4.237 4.812 . 0 0 "[ . 1 . 2 .]" 1
184 1 18 LEU HG 1 40 LEU MD1 4.000 . 5.500 2.243 1.872 2.659 . 0 0 "[ . 1 . 2 .]" 1
185 1 19 LYS HA 1 20 ARG H 4.000 . 5.500 3.534 3.503 3.551 . 0 0 "[ . 1 . 2 .]" 1
186 1 19 LYS HA 1 22 PHE QB 3.000 . 3.600 2.537 2.289 2.847 . 0 0 "[ . 1 . 2 .]" 1
187 1 19 LYS HA 1 22 PHE QD 4.000 . 5.500 4.307 3.925 4.745 . 0 0 "[ . 1 . 2 .]" 1
188 1 19 LYS HA 1 22 PHE H 4.000 . 5.500 3.421 3.273 3.634 . 0 0 "[ . 1 . 2 .]" 1
189 1 19 LYS HA 1 23 ASN H 4.000 . 5.500 4.135 3.936 4.275 . 0 0 "[ . 1 . 2 .]" 1
190 1 19 LYS HA 1 50 TRP HH2 2.200 . 2.700 2.055 1.881 2.481 . 0 0 "[ . 1 . 2 .]" 1
191 1 19 LYS HA 1 50 TRP HZ2 3.000 . 3.600 3.508 3.006 3.629 0.029 25 0 "[ . 1 . 2 .]" 1
192 1 19 LYS QB 1 50 TRP HH2 4.000 . 5.500 3.962 3.677 4.454 . 0 0 "[ . 1 . 2 .]" 1
193 1 19 LYS QB 1 50 TRP HZ2 4.000 . 5.500 4.025 3.184 4.385 . 0 0 "[ . 1 . 2 .]" 1
194 1 19 LYS QD 1 50 TRP HZ2 4.000 . 5.500 4.296 1.959 5.215 . 0 0 "[ . 1 . 2 .]" 1
195 1 19 LYS QG 1 20 ARG H 4.000 . 5.500 4.340 4.100 4.476 . 0 0 "[ . 1 . 2 .]" 1
196 1 19 LYS QG 1 50 TRP HH2 4.000 . 5.500 3.018 2.389 3.681 . 0 0 "[ . 1 . 2 .]" 1
197 1 19 LYS QG 1 50 TRP HZ2 3.000 . 3.600 2.746 2.237 3.561 . 0 0 "[ . 1 . 2 .]" 1
198 1 19 LYS H 1 20 ARG H 2.200 . 2.700 2.667 2.611 2.703 0.003 4 0 "[ . 1 . 2 .]" 1
199 1 19 LYS H 1 50 TRP HH2 4.000 . 5.500 3.549 3.295 3.973 . 0 0 "[ . 1 . 2 .]" 1
200 1 19 LYS H 1 50 TRP HZ2 4.000 . 5.500 3.875 3.340 4.214 . 0 0 "[ . 1 . 2 .]" 1
201 1 20 ARG HA 1 21 GLU H 4.000 . 5.500 3.544 3.522 3.562 . 0 0 "[ . 1 . 2 .]" 1
202 1 20 ARG HA 1 23 ASN QB 3.000 . 3.600 2.808 2.539 3.148 . 0 0 "[ . 1 . 2 .]" 1
203 1 20 ARG HA 1 23 ASN QD 4.000 . 5.500 4.220 2.189 5.493 . 0 0 "[ . 1 . 2 .]" 1
204 1 20 ARG HA 1 23 ASN H 4.000 . 5.500 3.555 3.485 3.708 . 0 0 "[ . 1 . 2 .]" 1
205 1 20 ARG QB 1 21 GLU H 2.200 . 2.700 2.545 2.402 2.668 . 0 0 "[ . 1 . 2 .]" 1
206 1 20 ARG QD 1 21 GLU H 4.000 . 5.500 4.540 3.655 5.251 . 0 0 "[ . 1 . 2 .]" 1
207 1 20 ARG H 1 21 GLU H 2.200 . 2.700 2.702 2.647 2.719 0.019 21 0 "[ . 1 . 2 .]" 1
208 1 20 ARG H 1 22 PHE H 4.000 . 5.500 4.036 3.872 4.244 . 0 0 "[ . 1 . 2 .]" 1
209 1 21 GLU HA 1 22 PHE H 4.000 . 5.500 3.521 3.490 3.552 . 0 0 "[ . 1 . 2 .]" 1
210 1 21 GLU HA 1 24 GLU H 4.000 . 5.500 3.467 3.369 3.590 . 0 0 "[ . 1 . 2 .]" 1
211 1 21 GLU HA 1 25 ASN H 4.000 . 5.500 4.320 4.024 4.448 . 0 0 "[ . 1 . 2 .]" 1
212 1 21 GLU HA 1 36 LEU QD 4.000 . 5.500 4.861 4.476 5.280 . 0 0 "[ . 1 . 2 .]" 1
213 1 21 GLU QB 1 22 PHE H 3.000 . 3.600 2.686 2.445 2.859 . 0 0 "[ . 1 . 2 .]" 1
214 1 21 GLU QB 1 28 LEU MD2 4.000 . 5.500 3.674 3.291 4.204 . 0 0 "[ . 1 . 2 .]" 1
215 1 21 GLU QB 1 36 LEU QD 3.000 . 3.600 2.789 2.450 3.126 . 0 0 "[ . 1 . 2 .]" 1
216 1 21 GLU QB 1 51 PHE QE 4.000 . 5.500 3.299 3.029 3.750 . 0 0 "[ . 1 . 2 .]" 1
217 1 21 GLU QB 1 51 PHE HZ 2.200 . 2.700 2.246 1.973 2.687 . 0 0 "[ . 1 . 2 .]" 1
218 1 21 GLU QG 1 36 LEU QD 3.000 . 3.600 2.472 2.019 3.431 . 0 0 "[ . 1 . 2 .]" 1
219 1 21 GLU QG 1 51 PHE HZ 4.000 . 5.500 3.898 2.280 4.852 . 0 0 "[ . 1 . 2 .]" 1
220 1 21 GLU H 1 22 PHE H 3.000 . 3.600 2.598 2.511 2.709 . 0 0 "[ . 1 . 2 .]" 1
221 1 22 PHE HA 1 25 ASN H 3.000 . 3.600 3.211 3.122 3.344 . 0 0 "[ . 1 . 2 .]" 1
222 1 22 PHE HA 1 26 ARG HA 4.000 . 5.500 3.089 2.598 3.516 . 0 0 "[ . 1 . 2 .]" 1
223 1 22 PHE HA 1 26 ARG QB 4.000 . 5.500 4.953 4.029 5.497 . 0 0 "[ . 1 . 2 .]" 1
224 1 22 PHE HA 1 51 PHE QD 4.000 . 5.500 4.167 3.918 4.428 . 0 0 "[ . 1 . 2 .]" 1
225 1 22 PHE HA 1 51 PHE QE 2.200 . 2.700 2.324 1.973 2.706 0.006 2 0 "[ . 1 . 2 .]" 1
226 1 22 PHE HA 1 51 PHE HZ 3.000 . 3.600 3.133 2.522 3.611 0.011 9 0 "[ . 1 . 2 .]" 1
227 1 22 PHE QB 1 23 ASN H 3.000 . 3.600 2.641 2.504 2.771 . 0 0 "[ . 1 . 2 .]" 1
228 1 22 PHE QB 1 50 TRP HH2 4.000 . 5.500 2.461 1.912 2.849 . 0 0 "[ . 1 . 2 .]" 1
229 1 22 PHE QB 1 50 TRP HZ2 4.000 . 5.500 4.567 4.075 4.917 . 0 0 "[ . 1 . 2 .]" 1
230 1 22 PHE QB 1 50 TRP HZ3 4.000 . 5.500 2.178 1.945 2.452 . 0 0 "[ . 1 . 2 .]" 1
231 1 22 PHE QB 1 51 PHE QE 4.000 . 5.500 3.441 2.930 3.874 . 0 0 "[ . 1 . 2 .]" 1
232 1 22 PHE QB 1 54 LYS QB 4.000 . 5.500 4.064 3.848 4.283 . 0 0 "[ . 1 . 2 .]" 1
233 1 22 PHE QD 1 23 ASN HA 4.000 . 5.500 3.216 2.873 3.817 . 0 0 "[ . 1 . 2 .]" 1
234 1 22 PHE QD 1 23 ASN QB 4.000 . 5.500 4.454 4.110 4.811 . 0 0 "[ . 1 . 2 .]" 1
235 1 22 PHE QD 1 23 ASN QD 4.000 . 5.500 4.626 3.478 5.455 . 0 0 "[ . 1 . 2 .]" 1
236 1 22 PHE QD 1 23 ASN H 4.000 . 5.500 3.585 3.412 3.953 . 0 0 "[ . 1 . 2 .]" 1
237 1 22 PHE QD 1 26 ARG HA 3.000 . 3.600 3.077 2.526 3.463 . 0 0 "[ . 1 . 2 .]" 1
238 1 22 PHE QD 1 26 ARG QB 4.000 . 5.500 4.140 3.211 4.874 . 0 0 "[ . 1 . 2 .]" 1
239 1 22 PHE QD 1 50 TRP HH2 4.000 . 5.500 3.982 3.447 4.394 . 0 0 "[ . 1 . 2 .]" 1
240 1 22 PHE QD 1 50 TRP HZ3 3.000 . 3.600 2.791 2.176 3.365 . 0 0 "[ . 1 . 2 .]" 1
241 1 22 PHE QD 1 51 PHE HA 3.000 . 3.600 3.069 2.647 3.419 . 0 0 "[ . 1 . 2 .]" 1
242 1 22 PHE QD 1 51 PHE QD 4.000 . 5.500 2.730 2.326 3.097 . 0 0 "[ . 1 . 2 .]" 1
243 1 22 PHE QD 1 51 PHE QE 4.000 . 5.500 2.974 2.424 3.519 . 0 0 "[ . 1 . 2 .]" 1
244 1 22 PHE QD 1 54 LYS QB 4.000 . 5.500 3.135 2.781 3.372 . 0 0 "[ . 1 . 2 .]" 1
245 1 22 PHE QD 1 54 LYS QE 4.000 . 5.500 4.047 2.621 5.250 . 0 0 "[ . 1 . 2 .]" 1
246 1 22 PHE QD 1 54 LYS QG 4.000 . 5.500 3.932 3.154 4.490 . 0 0 "[ . 1 . 2 .]" 1
247 1 22 PHE QD 1 55 ARG H 4.000 . 5.500 4.978 4.582 5.420 . 0 0 "[ . 1 . 2 .]" 1
248 1 22 PHE QD 1 58 ILE MD 4.000 . 5.500 3.940 3.204 5.006 . 0 0 "[ . 1 . 2 .]" 1
249 1 22 PHE QE 1 26 ARG HA 4.000 . 5.500 3.265 2.844 3.686 . 0 0 "[ . 1 . 2 .]" 1
250 1 22 PHE QE 1 26 ARG QB 4.000 . 5.500 3.081 2.302 4.086 . 0 0 "[ . 1 . 2 .]" 1
251 1 22 PHE QE 1 26 ARG QG 4.000 . 5.500 3.061 2.328 4.405 . 0 0 "[ . 1 . 2 .]" 1
252 1 22 PHE QE 1 51 PHE HA 4.000 . 5.500 3.456 2.886 4.081 . 0 0 "[ . 1 . 2 .]" 1
253 1 22 PHE QE 1 54 LYS QB 3.000 . 3.600 2.495 2.276 2.811 . 0 0 "[ . 1 . 2 .]" 1
254 1 22 PHE QE 1 54 LYS QE 4.000 . 5.500 4.340 2.509 5.510 0.010 1 0 "[ . 1 . 2 .]" 1
255 1 22 PHE QE 1 54 LYS QG 4.000 . 5.500 3.968 3.064 4.456 . 0 0 "[ . 1 . 2 .]" 1
256 1 22 PHE QE 1 55 ARG HA 3.000 . 3.600 3.154 2.383 3.604 0.004 6 0 "[ . 1 . 2 .]" 1
257 1 22 PHE QE 1 55 ARG QB 4.000 . 5.500 2.930 2.277 3.741 . 0 0 "[ . 1 . 2 .]" 1
258 1 22 PHE QE 1 55 ARG QG 4.000 . 5.500 3.334 1.992 4.783 . 0 0 "[ . 1 . 2 .]" 1
259 1 22 PHE QE 1 55 ARG H 4.000 . 5.500 3.070 2.701 3.612 . 0 0 "[ . 1 . 2 .]" 1
260 1 22 PHE QE 1 58 ILE MD 3.000 . 3.600 2.175 1.839 3.115 . 0 0 "[ . 1 . 2 .]" 1
261 1 22 PHE H 1 23 ASN H 3.000 . 3.600 2.633 2.596 2.689 . 0 0 "[ . 1 . 2 .]" 1
262 1 22 PHE H 1 24 GLU H 4.000 . 5.500 4.049 3.933 4.209 . 0 0 "[ . 1 . 2 .]" 1
263 1 22 PHE H 1 50 TRP HH2 4.000 . 5.500 3.894 3.556 4.141 . 0 0 "[ . 1 . 2 .]" 1
264 1 22 PHE H 1 50 TRP HZ3 4.000 . 5.500 3.971 3.739 4.244 . 0 0 "[ . 1 . 2 .]" 1
265 1 22 PHE H 1 51 PHE QE 4.000 . 5.500 4.153 3.899 4.357 . 0 0 "[ . 1 . 2 .]" 1
266 1 22 PHE H 1 51 PHE HZ 4.000 . 5.500 3.506 3.143 4.046 . 0 0 "[ . 1 . 2 .]" 1
267 1 22 PHE HZ 1 26 ARG HA 4.000 . 5.500 4.189 3.752 4.732 . 0 0 "[ . 1 . 2 .]" 1
268 1 22 PHE HZ 1 26 ARG QB 4.000 . 5.500 3.215 2.396 4.611 . 0 0 "[ . 1 . 2 .]" 1
269 1 22 PHE HZ 1 26 ARG QD 3.000 . 3.600 3.037 2.109 3.602 0.002 16 0 "[ . 1 . 2 .]" 1
270 1 22 PHE HZ 1 26 ARG QG 4.000 . 5.500 3.279 2.108 4.592 . 0 0 "[ . 1 . 2 .]" 1
271 1 22 PHE HZ 1 54 LYS QB 4.000 . 5.500 3.217 2.728 4.048 . 0 0 "[ . 1 . 2 .]" 1
272 1 22 PHE HZ 1 54 LYS QG 4.000 . 5.500 4.501 3.229 5.255 . 0 0 "[ . 1 . 2 .]" 1
273 1 22 PHE HZ 1 55 ARG HA 2.200 . 2.700 2.176 1.939 2.596 . 0 0 "[ . 1 . 2 .]" 1
274 1 22 PHE HZ 1 55 ARG QB 4.000 . 5.500 3.568 2.630 4.420 . 0 0 "[ . 1 . 2 .]" 1
275 1 22 PHE HZ 1 55 ARG QG 4.000 . 5.500 3.172 2.370 4.806 . 0 0 "[ . 1 . 2 .]" 1
276 1 22 PHE HZ 1 55 ARG H 4.000 . 5.500 3.798 2.938 4.397 . 0 0 "[ . 1 . 2 .]" 1
277 1 22 PHE HZ 1 58 ILE HB 4.000 . 5.500 4.203 2.770 5.360 . 0 0 "[ . 1 . 2 .]" 1
278 1 22 PHE HZ 1 58 ILE MD 3.000 . 3.600 2.617 1.915 3.610 0.010 3 0 "[ . 1 . 2 .]" 1
279 1 22 PHE HZ 1 58 ILE HG12 4.000 . 5.500 4.375 2.078 5.495 . 0 0 "[ . 1 . 2 .]" 1
280 1 23 ASN HA 1 24 GLU H 3.000 . 3.600 3.484 3.467 3.510 . 0 0 "[ . 1 . 2 .]" 1
281 1 23 ASN QB 1 24 GLU H 3.000 . 3.600 2.886 2.760 2.983 . 0 0 "[ . 1 . 2 .]" 1
282 1 23 ASN H 1 24 GLU QB 4.000 . 5.500 4.675 4.353 4.856 . 0 0 "[ . 1 . 2 .]" 1
283 1 23 ASN H 1 24 GLU QG 4.000 . 5.500 4.330 3.882 5.192 . 0 0 "[ . 1 . 2 .]" 1
284 1 23 ASN H 1 24 GLU H 2.200 . 2.700 2.611 2.576 2.635 . 0 0 "[ . 1 . 2 .]" 1
285 1 23 ASN H 1 25 ASN H 4.000 . 5.500 4.072 3.975 4.216 . 0 0 "[ . 1 . 2 .]" 1
286 1 24 GLU HA 1 25 ASN H 3.000 . 3.600 3.508 3.488 3.535 . 0 0 "[ . 1 . 2 .]" 1
287 1 24 GLU QB 1 25 ASN H 2.200 . 2.700 2.691 2.613 2.721 0.021 22 0 "[ . 1 . 2 .]" 1
288 1 24 GLU QG 1 25 ASN H 4.000 . 5.500 4.078 3.794 4.425 . 0 0 "[ . 1 . 2 .]" 1
289 1 24 GLU H 1 25 ASN HA 4.000 . 5.500 4.939 4.894 4.960 . 0 0 "[ . 1 . 2 .]" 1
290 1 24 GLU H 1 25 ASN H 2.200 . 2.700 2.350 2.309 2.403 . 0 0 "[ . 1 . 2 .]" 1
291 1 25 ASN HA 1 26 ARG QB 4.000 . 5.500 4.388 3.998 4.578 . 0 0 "[ . 1 . 2 .]" 1
292 1 25 ASN HA 1 26 ARG QG 4.000 . 5.500 3.963 3.511 5.293 . 0 0 "[ . 1 . 2 .]" 1
293 1 25 ASN HA 1 26 ARG H 2.200 . 2.700 2.144 2.130 2.170 . 0 0 "[ . 1 . 2 .]" 1
294 1 25 ASN QB 1 26 ARG H 4.000 . 5.500 3.600 3.160 3.858 . 0 0 "[ . 1 . 2 .]" 1
295 1 25 ASN QB 1 28 LEU MD2 4.000 . 5.500 4.484 3.992 5.356 . 0 0 "[ . 1 . 2 .]" 1
296 1 25 ASN QD 1 28 LEU MD2 4.000 . 5.500 4.716 3.125 5.509 0.009 13 0 "[ . 1 . 2 .]" 1
297 1 25 ASN H 1 26 ARG H 4.000 . 5.500 3.963 3.742 4.091 . 0 0 "[ . 1 . 2 .]" 1
298 1 26 ARG HA 1 27 TYR H 3.000 . 3.600 3.300 3.222 3.393 . 0 0 "[ . 1 . 2 .]" 1
299 1 26 ARG HA 1 51 PHE QD 4.000 . 5.500 3.303 2.731 3.670 . 0 0 "[ . 1 . 2 .]" 1
300 1 26 ARG HA 1 51 PHE QE 3.000 . 3.600 2.994 2.179 3.602 0.002 6 0 "[ . 1 . 2 .]" 1
301 1 26 ARG QB 1 27 TYR QD 4.000 . 5.500 3.395 2.489 4.566 . 0 0 "[ . 1 . 2 .]" 1
302 1 26 ARG QB 1 27 TYR H 4.000 . 5.500 3.469 3.164 3.901 . 0 0 "[ . 1 . 2 .]" 1
303 1 26 ARG QD 1 27 TYR QE 4.000 . 5.500 4.404 2.784 5.195 . 0 0 "[ . 1 . 2 .]" 1
304 1 26 ARG QG 1 27 TYR QD 4.000 . 5.500 4.328 2.129 5.335 . 0 0 "[ . 1 . 2 .]" 1
305 1 26 ARG QG 1 27 TYR QE 4.000 . 5.500 4.523 2.208 5.479 . 0 0 "[ . 1 . 2 .]" 1
306 1 26 ARG QG 1 27 TYR H 4.000 . 5.500 4.125 2.903 4.711 . 0 0 "[ . 1 . 2 .]" 1
307 1 26 ARG QG 1 55 ARG HA 4.000 . 5.500 4.417 2.651 5.449 . 0 0 "[ . 1 . 2 .]" 1
308 1 26 ARG QG 1 55 ARG QD 4.000 . 5.500 4.292 1.940 5.446 . 0 0 "[ . 1 . 2 .]" 1
309 1 26 ARG H 1 27 TYR QD 4.000 . 5.500 3.538 2.780 4.653 . 0 0 "[ . 1 . 2 .]" 1
310 1 26 ARG H 1 27 TYR H 2.200 . 2.700 2.662 2.568 2.729 0.029 11 0 "[ . 1 . 2 .]" 1
311 1 27 TYR HA 1 28 LEU H 2.200 . 2.700 2.458 2.151 2.708 0.008 15 0 "[ . 1 . 2 .]" 1
312 1 27 TYR HA 1 51 PHE QD 4.000 . 5.500 3.588 2.928 4.286 . 0 0 "[ . 1 . 2 .]" 1
313 1 27 TYR HA 1 51 PHE QE 4.000 . 5.500 4.654 4.113 5.260 . 0 0 "[ . 1 . 2 .]" 1
314 1 27 TYR QB 1 28 LEU H 3.000 . 3.600 2.484 1.949 3.609 0.009 24 0 "[ . 1 . 2 .]" 1
315 1 27 TYR QD 1 28 LEU H 4.000 . 5.500 3.961 3.175 4.405 . 0 0 "[ . 1 . 2 .]" 1
316 1 27 TYR H 1 28 LEU HG 4.000 . 5.500 5.536 5.508 5.564 0.064 16 0 "[ . 1 . 2 .]" 1
317 1 27 TYR H 1 28 LEU H 4.000 . 5.500 4.411 4.282 4.530 . 0 0 "[ . 1 . 2 .]" 1
318 1 27 TYR H 1 51 PHE QE 4.000 . 5.500 3.920 3.392 4.344 . 0 0 "[ . 1 . 2 .]" 1
319 1 28 LEU HA 1 29 THR MG 4.000 . 5.500 3.188 2.976 3.503 . 0 0 "[ . 1 . 2 .]" 1
320 1 28 LEU HA 1 29 THR H 2.200 . 2.700 2.413 2.120 2.629 . 0 0 "[ . 1 . 2 .]" 1
321 1 28 LEU QB 1 29 THR H 4.000 . 5.500 2.462 1.937 3.409 . 0 0 "[ . 1 . 2 .]" 1
322 1 28 LEU QB 1 33 ARG H 4.000 . 5.500 3.921 3.685 4.202 . 0 0 "[ . 1 . 2 .]" 1
323 1 28 LEU MD1 1 29 THR H 4.000 . 5.500 3.856 3.384 4.462 . 0 0 "[ . 1 . 2 .]" 1
324 1 28 LEU MD1 1 32 ARG QG 4.000 . 5.500 4.723 3.691 5.335 . 0 0 "[ . 1 . 2 .]" 1
325 1 28 LEU MD1 1 32 ARG H 4.000 . 5.500 5.559 5.513 5.585 0.085 12 0 "[ . 1 . 2 .]" 1
326 1 28 LEU MD1 1 33 ARG HA 3.000 . 3.600 2.669 2.417 2.913 . 0 0 "[ . 1 . 2 .]" 1
327 1 28 LEU MD1 1 33 ARG QB 4.000 . 5.500 3.308 2.762 3.679 . 0 0 "[ . 1 . 2 .]" 1
328 1 28 LEU MD1 1 33 ARG QD 4.000 . 5.500 3.018 2.080 3.737 . 0 0 "[ . 1 . 2 .]" 1
329 1 28 LEU MD1 1 33 ARG QG 3.000 . 3.600 2.343 1.858 3.539 . 0 0 "[ . 1 . 2 .]" 1
330 1 28 LEU MD1 1 33 ARG H 4.000 . 5.500 3.781 3.635 3.906 . 0 0 "[ . 1 . 2 .]" 1
331 1 28 LEU MD1 1 34 GLN H 4.000 . 5.500 5.485 5.282 5.538 0.038 25 0 "[ . 1 . 2 .]" 1
332 1 28 LEU MD1 1 36 LEU QB 4.000 . 5.500 3.832 3.523 4.163 . 0 0 "[ . 1 . 2 .]" 1
333 1 28 LEU MD1 1 36 LEU QD 4.000 . 5.500 2.782 2.369 3.344 . 0 0 "[ . 1 . 2 .]" 1
334 1 28 LEU MD1 1 36 LEU H 4.000 . 5.500 5.345 5.013 5.541 0.041 7 0 "[ . 1 . 2 .]" 1
335 1 28 LEU MD1 1 47 ILE MG 2.200 . 2.700 1.890 1.783 2.075 0.017 11 0 "[ . 1 . 2 .]" 1
336 1 28 LEU MD1 1 48 LYS HA 3.000 . 3.600 2.672 2.447 2.770 . 0 0 "[ . 1 . 2 .]" 1
337 1 28 LEU MD1 1 48 LYS H 4.000 . 5.500 4.043 3.839 4.270 . 0 0 "[ . 1 . 2 .]" 1
338 1 28 LEU MD1 1 51 PHE QB 4.000 . 5.500 2.657 2.278 2.926 . 0 0 "[ . 1 . 2 .]" 1
339 1 28 LEU MD1 1 51 PHE QD 3.000 . 3.600 2.320 2.100 2.702 . 0 0 "[ . 1 . 2 .]" 1
340 1 28 LEU MD1 1 51 PHE QE 3.000 . 3.600 2.776 2.368 3.273 . 0 0 "[ . 1 . 2 .]" 1
341 1 28 LEU MD1 1 51 PHE H 4.000 . 5.500 3.989 3.741 4.270 . 0 0 "[ . 1 . 2 .]" 1
342 1 28 LEU MD2 1 29 THR H 3.000 . 3.600 2.615 2.196 2.838 . 0 0 "[ . 1 . 2 .]" 1
343 1 28 LEU MD2 1 32 ARG QD 4.000 . 5.500 2.784 1.912 3.917 . 0 0 "[ . 1 . 2 .]" 1
344 1 28 LEU MD2 1 32 ARG QG 4.000 . 5.500 2.832 1.852 3.534 . 0 0 "[ . 1 . 2 .]" 1
345 1 28 LEU MD2 1 32 ARG H 4.000 . 5.500 4.443 4.313 4.598 . 0 0 "[ . 1 . 2 .]" 1
346 1 28 LEU MD2 1 33 ARG HA 3.000 . 3.600 3.627 3.527 3.649 0.049 3 0 "[ . 1 . 2 .]" 1
347 1 28 LEU MD2 1 33 ARG QB 4.000 . 5.500 4.235 3.856 4.573 . 0 0 "[ . 1 . 2 .]" 1
348 1 28 LEU MD2 1 33 ARG QD 4.000 . 5.500 4.722 3.681 5.428 . 0 0 "[ . 1 . 2 .]" 1
349 1 28 LEU MD2 1 33 ARG QG 4.000 . 5.500 4.081 3.285 5.105 . 0 0 "[ . 1 . 2 .]" 1
350 1 28 LEU MD2 1 33 ARG H 4.000 . 5.500 3.674 3.504 3.895 . 0 0 "[ . 1 . 2 .]" 1
351 1 28 LEU MD2 1 36 LEU QB 4.000 . 5.500 4.013 3.592 4.460 . 0 0 "[ . 1 . 2 .]" 1
352 1 28 LEU MD2 1 36 LEU QD 4.000 . 5.500 2.350 1.953 2.807 . 0 0 "[ . 1 . 2 .]" 1
353 1 28 LEU MD2 1 47 ILE MG 4.000 . 5.500 3.349 3.138 3.542 . 0 0 "[ . 1 . 2 .]" 1
354 1 28 LEU MD2 1 48 LYS HA 4.000 . 5.500 5.415 5.217 5.508 0.008 13 0 "[ . 1 . 2 .]" 1
355 1 28 LEU MD2 1 50 TRP HE3 4.000 . 5.500 5.530 5.482 5.551 0.051 19 0 "[ . 1 . 2 .]" 1
356 1 28 LEU MD2 1 51 PHE QB 4.000 . 5.500 4.282 4.107 4.517 . 0 0 "[ . 1 . 2 .]" 1
357 1 28 LEU MD2 1 51 PHE QD 3.000 . 3.600 3.585 3.485 3.631 0.031 5 0 "[ . 1 . 2 .]" 1
358 1 28 LEU MD2 1 51 PHE QE 3.000 . 3.600 2.762 2.540 3.012 . 0 0 "[ . 1 . 2 .]" 1
359 1 28 LEU MD2 1 51 PHE HZ 4.000 . 5.500 2.792 2.417 3.179 . 0 0 "[ . 1 . 2 .]" 1
360 1 28 LEU H 1 29 THR H 4.000 . 5.500 4.343 4.098 4.508 . 0 0 "[ . 1 . 2 .]" 1
361 1 29 THR HA 1 30 GLU QB 4.000 . 5.500 4.419 4.242 4.846 . 0 0 "[ . 1 . 2 .]" 1
362 1 29 THR HA 1 30 GLU H 2.200 . 2.700 2.461 2.405 2.513 . 0 0 "[ . 1 . 2 .]" 1
363 1 29 THR HA 1 31 ARG H 4.000 . 5.500 4.597 4.474 4.667 . 0 0 "[ . 1 . 2 .]" 1
364 1 29 THR HA 1 32 ARG H 4.000 . 5.500 4.541 4.457 4.658 . 0 0 "[ . 1 . 2 .]" 1
365 1 29 THR HB 1 30 GLU QB 4.000 . 5.500 4.098 3.976 4.294 . 0 0 "[ . 1 . 2 .]" 1
366 1 29 THR HB 1 30 GLU H 4.000 . 5.500 2.492 2.354 2.594 . 0 0 "[ . 1 . 2 .]" 1
367 1 29 THR HB 1 31 ARG H 4.000 . 5.500 3.395 3.260 3.538 . 0 0 "[ . 1 . 2 .]" 1
368 1 29 THR HB 1 32 ARG H 4.000 . 5.500 3.818 3.646 3.958 . 0 0 "[ . 1 . 2 .]" 1
369 1 29 THR MG 1 30 GLU H 4.000 . 5.500 3.933 3.855 3.996 . 0 0 "[ . 1 . 2 .]" 1
370 1 29 THR MG 1 32 ARG H 4.000 . 5.500 3.897 3.829 3.973 . 0 0 "[ . 1 . 2 .]" 1
371 1 29 THR H 1 30 GLU H 4.000 . 5.500 4.448 4.372 4.570 . 0 0 "[ . 1 . 2 .]" 1
372 1 29 THR H 1 32 ARG QB 4.000 . 5.500 2.029 1.806 2.235 . 0 0 "[ . 1 . 2 .]" 1
373 1 29 THR H 1 33 ARG H 4.000 . 5.500 3.456 3.136 4.018 . 0 0 "[ . 1 . 2 .]" 1
374 1 30 GLU HA 1 31 ARG H 3.000 . 3.600 3.548 3.533 3.558 . 0 0 "[ . 1 . 2 .]" 1
375 1 30 GLU HA 1 32 ARG H 4.000 . 5.500 4.431 4.297 4.613 . 0 0 "[ . 1 . 2 .]" 1
376 1 30 GLU HA 1 33 ARG QB 4.000 . 5.500 2.862 2.619 3.055 . 0 0 "[ . 1 . 2 .]" 1
377 1 30 GLU HA 1 33 ARG QD 4.000 . 5.500 4.037 3.306 4.768 . 0 0 "[ . 1 . 2 .]" 1
378 1 30 GLU HA 1 33 ARG H 3.000 . 3.600 3.610 3.543 3.633 0.033 16 0 "[ . 1 . 2 .]" 1
379 1 30 GLU QB 1 31 ARG H 2.200 . 2.700 2.416 2.312 2.541 . 0 0 "[ . 1 . 2 .]" 1
380 1 30 GLU QG 1 31 ARG H 4.000 . 5.500 4.094 3.613 4.348 . 0 0 "[ . 1 . 2 .]" 1
381 1 30 GLU H 1 31 ARG QB 4.000 . 5.500 4.592 4.397 4.861 . 0 0 "[ . 1 . 2 .]" 1
382 1 30 GLU H 1 31 ARG H 3.000 . 3.600 2.802 2.760 2.831 . 0 0 "[ . 1 . 2 .]" 1
383 1 30 GLU H 1 33 ARG H 4.000 . 5.500 4.713 4.636 4.783 . 0 0 "[ . 1 . 2 .]" 1
384 1 31 ARG HA 1 32 ARG H 3.000 . 3.600 3.545 3.525 3.565 . 0 0 "[ . 1 . 2 .]" 1
385 1 31 ARG HA 1 33 ARG H 4.000 . 5.500 4.596 4.429 4.831 . 0 0 "[ . 1 . 2 .]" 1
386 1 31 ARG HA 1 34 GLN H 4.000 . 5.500 3.793 3.655 3.915 . 0 0 "[ . 1 . 2 .]" 1
387 1 31 ARG QB 1 32 ARG H 2.200 . 2.700 2.644 2.470 2.739 0.039 15 0 "[ . 1 . 2 .]" 1
388 1 31 ARG QD 1 32 ARG H 4.000 . 5.500 4.819 3.867 5.458 . 0 0 "[ . 1 . 2 .]" 1
389 1 31 ARG QD 1 34 GLN QB 4.000 . 5.500 4.881 3.967 5.516 0.016 18 0 "[ . 1 . 2 .]" 1
390 1 31 ARG H 1 32 ARG H 3.000 . 3.600 2.729 2.679 2.789 . 0 0 "[ . 1 . 2 .]" 1
391 1 31 ARG H 1 33 ARG H 4.000 . 5.500 4.282 4.126 4.424 . 0 0 "[ . 1 . 2 .]" 1
392 1 32 ARG HA 1 33 ARG H 3.000 . 3.600 3.543 3.516 3.562 . 0 0 "[ . 1 . 2 .]" 1
393 1 32 ARG HA 1 36 LEU H 4.000 . 5.500 3.725 3.554 4.033 . 0 0 "[ . 1 . 2 .]" 1
394 1 32 ARG HE 1 36 LEU MD1 4.000 . 5.500 4.322 2.004 5.211 . 0 0 "[ . 1 . 2 .]" 1
395 1 32 ARG QG 1 33 ARG H 4.000 . 5.500 4.257 3.962 4.457 . 0 0 "[ . 1 . 2 .]" 1
396 1 32 ARG QG 1 35 GLN QG 4.000 . 5.500 4.910 4.465 5.370 . 0 0 "[ . 1 . 2 .]" 1
397 1 32 ARG QG 1 36 LEU QD 4.000 . 5.500 3.294 1.938 4.577 . 0 0 "[ . 1 . 2 .]" 1
398 1 32 ARG H 1 33 ARG HA 4.000 . 5.500 5.241 5.187 5.289 . 0 0 "[ . 1 . 2 .]" 1
399 1 32 ARG H 1 33 ARG QB 4.000 . 5.500 4.316 4.268 4.391 . 0 0 "[ . 1 . 2 .]" 1
400 1 32 ARG H 1 33 ARG H 2.200 . 2.700 2.637 2.565 2.702 0.002 5 0 "[ . 1 . 2 .]" 1
401 1 32 ARG H 1 34 GLN QB 4.000 . 5.500 5.195 4.976 5.528 0.028 3 0 "[ . 1 . 2 .]" 1
402 1 32 ARG H 1 34 GLN H 4.000 . 5.500 4.270 4.017 4.453 . 0 0 "[ . 1 . 2 .]" 1
403 1 33 ARG HA 1 34 GLN H 3.000 . 3.600 3.552 3.538 3.568 . 0 0 "[ . 1 . 2 .]" 1
404 1 33 ARG HA 1 36 LEU QD 3.000 . 3.600 3.279 2.627 3.602 0.002 15 0 "[ . 1 . 2 .]" 1
405 1 33 ARG HA 1 36 LEU H 4.000 . 5.500 3.752 3.574 3.920 . 0 0 "[ . 1 . 2 .]" 1
406 1 33 ARG HA 1 37 SER H 4.000 . 5.500 4.027 3.821 4.240 . 0 0 "[ . 1 . 2 .]" 1
407 1 33 ARG QB 1 34 GLN H 2.200 . 2.700 2.455 2.232 2.670 . 0 0 "[ . 1 . 2 .]" 1
408 1 33 ARG QD 1 44 GLU HA 4.000 . 5.500 4.326 3.568 5.167 . 0 0 "[ . 1 . 2 .]" 1
409 1 33 ARG QD 1 44 GLU QB 4.000 . 5.500 3.487 2.187 4.814 . 0 0 "[ . 1 . 2 .]" 1
410 1 33 ARG QD 1 44 GLU QG 4.000 . 5.500 4.372 3.317 5.094 . 0 0 "[ . 1 . 2 .]" 1
411 1 33 ARG QD 1 47 ILE HB 4.000 . 5.500 3.833 3.028 4.546 . 0 0 "[ . 1 . 2 .]" 1
412 1 33 ARG QD 1 47 ILE MG 4.000 . 5.500 4.082 3.392 4.784 . 0 0 "[ . 1 . 2 .]" 1
413 1 33 ARG QD 1 48 LYS HA 4.000 . 5.500 3.086 2.322 4.072 . 0 0 "[ . 1 . 2 .]" 1
414 1 33 ARG QD 1 48 LYS QB 3.000 . 3.600 2.211 1.936 3.167 . 0 0 "[ . 1 . 2 .]" 1
415 1 33 ARG QD 1 48 LYS H 4.000 . 5.500 3.382 2.530 4.237 . 0 0 "[ . 1 . 2 .]" 1
416 1 33 ARG QG 1 34 GLN HA 4.000 . 5.500 4.693 3.506 5.508 0.008 18 0 "[ . 1 . 2 .]" 1
417 1 33 ARG QG 1 34 GLN H 4.000 . 5.500 4.101 3.318 4.379 . 0 0 "[ . 1 . 2 .]" 1
418 1 33 ARG QG 1 44 GLU HA 3.000 . 3.600 2.713 1.971 3.608 0.008 18 0 "[ . 1 . 2 .]" 1
419 1 33 ARG QG 1 44 GLU QG 3.000 . 3.600 2.993 2.015 3.499 . 0 0 "[ . 1 . 2 .]" 1
420 1 33 ARG QG 1 47 ILE MG 4.000 . 5.500 2.822 2.314 3.236 . 0 0 "[ . 1 . 2 .]" 1
421 1 33 ARG H 1 34 GLN QB 4.000 . 5.500 4.541 4.427 4.849 . 0 0 "[ . 1 . 2 .]" 1
422 1 33 ARG H 1 34 GLN H 3.000 . 3.600 2.755 2.655 2.816 . 0 0 "[ . 1 . 2 .]" 1
423 1 33 ARG H 1 35 GLN H 4.000 . 5.500 4.015 3.818 4.144 . 0 0 "[ . 1 . 2 .]" 1
424 1 33 ARG H 1 36 LEU QD 4.000 . 5.500 4.399 3.906 4.925 . 0 0 "[ . 1 . 2 .]" 1
425 1 34 GLN HA 1 35 GLN H 3.000 . 3.600 3.525 3.498 3.542 . 0 0 "[ . 1 . 2 .]" 1
426 1 34 GLN HA 1 36 LEU H 4.000 . 5.500 4.662 4.473 4.799 . 0 0 "[ . 1 . 2 .]" 1
427 1 34 GLN HA 1 37 SER H 3.000 . 3.600 3.567 3.501 3.633 0.033 17 0 "[ . 1 . 2 .]" 1
428 1 34 GLN HA 1 38 SER H 4.000 . 5.500 3.988 3.785 4.153 . 0 0 "[ . 1 . 2 .]" 1
429 1 34 GLN QE 1 35 GLN QG 3.000 . 3.600 3.295 2.649 3.603 0.003 16 0 "[ . 1 . 2 .]" 1
430 1 34 GLN QE 1 35 GLN H 4.000 . 5.500 3.829 3.161 4.395 . 0 0 "[ . 1 . 2 .]" 1
431 1 34 GLN H 1 35 GLN H 2.200 . 2.700 2.628 2.572 2.710 0.010 23 0 "[ . 1 . 2 .]" 1
432 1 35 GLN HA 1 36 LEU H 3.000 . 3.600 3.554 3.530 3.566 . 0 0 "[ . 1 . 2 .]" 1
433 1 35 GLN QB 1 36 LEU H 2.200 . 2.700 2.534 2.415 2.662 . 0 0 "[ . 1 . 2 .]" 1
434 1 35 GLN QB 1 37 SER H 4.000 . 5.500 4.563 4.413 4.742 . 0 0 "[ . 1 . 2 .]" 1
435 1 35 GLN QG 1 36 LEU H 4.000 . 5.500 4.278 4.130 4.415 . 0 0 "[ . 1 . 2 .]" 1
436 1 35 GLN H 1 36 LEU H 2.200 . 2.700 2.676 2.606 2.722 0.022 6 0 "[ . 1 . 2 .]" 1
437 1 36 LEU HA 1 37 SER H 3.000 . 3.600 3.525 3.502 3.549 . 0 0 "[ . 1 . 2 .]" 1
438 1 36 LEU HA 1 39 GLU QB 4.000 . 5.500 2.614 2.357 3.040 . 0 0 "[ . 1 . 2 .]" 1
439 1 36 LEU HA 1 39 GLU H 4.000 . 5.500 3.538 3.392 3.726 . 0 0 "[ . 1 . 2 .]" 1
440 1 36 LEU HA 1 40 LEU MD1 4.000 . 5.500 3.752 3.008 4.332 . 0 0 "[ . 1 . 2 .]" 1
441 1 36 LEU HA 1 40 LEU HG 4.000 . 5.500 3.650 2.502 5.421 . 0 0 "[ . 1 . 2 .]" 1
442 1 36 LEU QB 1 37 SER H 3.000 . 3.600 2.692 2.583 2.788 . 0 0 "[ . 1 . 2 .]" 1
443 1 36 LEU QB 1 38 SER H 4.000 . 5.500 4.835 4.719 4.924 . 0 0 "[ . 1 . 2 .]" 1
444 1 36 LEU QB 1 42 LEU MD1 4.000 . 5.500 4.518 3.787 4.965 . 0 0 "[ . 1 . 2 .]" 1
445 1 36 LEU QB 1 47 ILE MD 4.000 . 5.500 2.392 1.799 2.857 0.001 3 0 "[ . 1 . 2 .]" 1
446 1 36 LEU QD 1 39 GLU H 4.000 . 5.500 5.117 4.691 5.517 0.017 7 0 "[ . 1 . 2 .]" 1
447 1 36 LEU QD 1 51 PHE QD 4.000 . 5.500 3.852 3.448 4.267 . 0 0 "[ . 1 . 2 .]" 1
448 1 36 LEU QD 1 51 PHE QE 3.000 . 3.600 2.484 2.153 2.886 . 0 0 "[ . 1 . 2 .]" 1
449 1 36 LEU QD 1 51 PHE HZ 4.000 . 5.500 3.386 2.924 3.930 . 0 0 "[ . 1 . 2 .]" 1
450 1 36 LEU HG 1 37 SER H 4.000 . 5.500 4.874 4.191 5.153 . 0 0 "[ . 1 . 2 .]" 1
451 1 36 LEU H 1 37 SER H 2.200 . 2.700 2.637 2.575 2.713 0.013 17 0 "[ . 1 . 2 .]" 1
452 1 36 LEU H 1 38 SER H 4.000 . 5.500 4.330 4.194 4.426 . 0 0 "[ . 1 . 2 .]" 1
453 1 36 LEU H 1 39 GLU H 4.000 . 5.500 4.674 4.559 4.824 . 0 0 "[ . 1 . 2 .]" 1
454 1 36 LEU H 1 47 ILE MD 4.000 . 5.500 4.142 3.555 5.041 . 0 0 "[ . 1 . 2 .]" 1
455 1 37 SER HA 1 38 SER H 3.000 . 3.600 3.544 3.539 3.548 . 0 0 "[ . 1 . 2 .]" 1
456 1 37 SER HA 1 40 LEU H 4.000 . 5.500 4.051 3.929 4.197 . 0 0 "[ . 1 . 2 .]" 1
457 1 37 SER HA 1 42 LEU QB 4.000 . 5.500 2.947 2.623 3.296 . 0 0 "[ . 1 . 2 .]" 1
458 1 37 SER HA 1 42 LEU MD1 4.000 . 5.500 4.065 3.295 4.499 . 0 0 "[ . 1 . 2 .]" 1
459 1 37 SER HA 1 42 LEU H 4.000 . 5.500 2.502 2.215 2.709 . 0 0 "[ . 1 . 2 .]" 1
460 1 37 SER HA 1 44 GLU HA 4.000 . 5.500 4.639 4.371 5.015 . 0 0 "[ . 1 . 2 .]" 1
461 1 37 SER HA 1 47 ILE MD 2.200 . 2.700 2.058 1.838 2.703 0.003 19 0 "[ . 1 . 2 .]" 1
462 1 37 SER QB 1 44 GLU HA 4.000 . 5.500 2.994 2.485 4.031 . 0 0 "[ . 1 . 2 .]" 1
463 1 37 SER QB 1 44 GLU H 4.000 . 5.500 3.294 2.844 3.983 . 0 0 "[ . 1 . 2 .]" 1
464 1 37 SER QB 1 47 ILE MD 4.000 . 5.500 2.300 1.846 3.994 . 0 0 "[ . 1 . 2 .]" 1
465 1 37 SER H 1 38 SER H 2.200 . 2.700 2.737 2.715 2.756 0.056 20 0 "[ . 1 . 2 .]" 1
466 1 37 SER H 1 39 GLU QB 4.000 . 5.500 4.857 4.607 5.142 . 0 0 "[ . 1 . 2 .]" 1
467 1 37 SER H 1 39 GLU H 4.000 . 5.500 4.116 3.940 4.370 . 0 0 "[ . 1 . 2 .]" 1
468 1 37 SER H 1 44 GLU QG 4.000 . 5.500 4.102 3.674 4.491 . 0 0 "[ . 1 . 2 .]" 1
469 1 37 SER H 1 47 ILE MD 3.000 . 3.600 2.584 2.273 3.606 0.006 10 0 "[ . 1 . 2 .]" 1
470 1 37 SER H 1 47 ILE MG 4.000 . 5.500 4.426 3.825 4.723 . 0 0 "[ . 1 . 2 .]" 1
471 1 38 SER HA 1 39 GLU H 3.000 . 3.600 3.541 3.520 3.564 . 0 0 "[ . 1 . 2 .]" 1
472 1 38 SER HA 1 41 GLY H 4.000 . 5.500 3.798 3.506 4.371 . 0 0 "[ . 1 . 2 .]" 1
473 1 38 SER QB 1 39 GLU H 2.200 . 2.700 2.568 2.277 2.702 0.002 23 0 "[ . 1 . 2 .]" 1
474 1 38 SER H 1 39 GLU QB 4.000 . 5.500 4.351 4.240 4.599 . 0 0 "[ . 1 . 2 .]" 1
475 1 38 SER H 1 39 GLU H 3.000 . 3.600 2.628 2.569 2.724 . 0 0 "[ . 1 . 2 .]" 1
476 1 38 SER H 1 44 GLU QG 4.000 . 5.500 4.993 4.563 5.399 . 0 0 "[ . 1 . 2 .]" 1
477 1 38 SER H 1 47 ILE MD 4.000 . 5.500 4.419 4.191 5.346 . 0 0 "[ . 1 . 2 .]" 1
478 1 39 GLU QB 1 40 LEU H 4.000 . 5.500 2.460 2.199 2.722 . 0 0 "[ . 1 . 2 .]" 1
479 1 40 LEU HA 1 41 GLY H 4.000 . 5.500 3.473 3.366 3.574 . 0 0 "[ . 1 . 2 .]" 1
480 1 40 LEU HA 1 42 LEU MD1 4.000 . 5.500 4.386 3.907 4.974 . 0 0 "[ . 1 . 2 .]" 1
481 1 40 LEU QB 1 41 GLY H 4.000 . 5.500 2.817 2.199 3.221 . 0 0 "[ . 1 . 2 .]" 1
482 1 40 LEU QB 1 42 LEU MD1 4.000 . 5.500 2.071 1.811 2.639 . 0 0 "[ . 1 . 2 .]" 1
483 1 40 LEU QB 1 42 LEU H 3.000 . 3.600 3.229 2.914 3.475 . 0 0 "[ . 1 . 2 .]" 1
484 1 40 LEU HG 1 41 GLY H 4.000 . 5.500 4.524 4.063 5.000 . 0 0 "[ . 1 . 2 .]" 1
485 1 40 LEU H 1 41 GLY H 2.200 . 2.700 2.429 2.349 2.670 . 0 0 "[ . 1 . 2 .]" 1
486 1 40 LEU H 1 42 LEU MD1 4.000 . 5.500 4.569 4.078 5.228 . 0 0 "[ . 1 . 2 .]" 1
487 1 40 LEU H 1 42 LEU H 4.000 . 5.500 4.045 3.782 4.332 . 0 0 "[ . 1 . 2 .]" 1
488 1 41 GLY QA 1 42 LEU QB 4.000 . 5.500 4.579 4.488 4.674 . 0 0 "[ . 1 . 2 .]" 1
489 1 41 GLY QA 1 42 LEU H 3.000 . 3.600 2.734 2.660 2.818 . 0 0 "[ . 1 . 2 .]" 1
490 1 41 GLY H 1 42 LEU QB 4.000 . 5.500 4.307 3.913 4.592 . 0 0 "[ . 1 . 2 .]" 1
491 1 41 GLY H 1 42 LEU H 3.000 . 3.600 2.311 1.975 2.596 . 0 0 "[ . 1 . 2 .]" 1
492 1 42 LEU HA 1 43 ASN H 2.200 . 2.700 2.475 2.374 2.566 . 0 0 "[ . 1 . 2 .]" 1
493 1 42 LEU HA 1 46 GLN QG 4.000 . 5.500 5.127 4.174 5.490 . 0 0 "[ . 1 . 2 .]" 1
494 1 42 LEU QB 1 43 ASN QB 4.000 . 5.500 4.045 3.871 4.640 . 0 0 "[ . 1 . 2 .]" 1
495 1 42 LEU QB 1 43 ASN H 2.200 . 2.700 2.259 2.147 2.465 . 0 0 "[ . 1 . 2 .]" 1
496 1 42 LEU QB 1 46 GLN QB 4.000 . 5.500 2.784 2.462 3.112 . 0 0 "[ . 1 . 2 .]" 1
497 1 42 LEU QB 1 46 GLN QG 4.000 . 5.500 3.880 3.183 4.465 . 0 0 "[ . 1 . 2 .]" 1
498 1 42 LEU QB 1 47 ILE H 4.000 . 5.500 4.067 3.847 4.331 . 0 0 "[ . 1 . 2 .]" 1
499 1 42 LEU MD1 1 43 ASN H 4.000 . 5.500 4.575 4.362 4.742 . 0 0 "[ . 1 . 2 .]" 1
500 1 42 LEU MD1 1 46 GLN QB 4.000 . 5.500 4.013 3.491 4.383 . 0 0 "[ . 1 . 2 .]" 1
501 1 42 LEU MD1 1 47 ILE HA 4.000 . 5.500 4.551 4.194 4.981 . 0 0 "[ . 1 . 2 .]" 1
502 1 42 LEU MD1 1 47 ILE QG 3.000 . 3.600 3.093 2.821 3.604 0.004 10 0 "[ . 1 . 2 .]" 1
503 1 42 LEU MD1 1 47 ILE H 4.000 . 5.500 5.103 4.782 5.428 . 0 0 "[ . 1 . 2 .]" 1
504 1 42 LEU MD2 1 43 ASN H 3.000 . 3.600 3.229 2.704 3.601 0.001 19 0 "[ . 1 . 2 .]" 1
505 1 42 LEU H 1 43 ASN H 4.000 . 5.500 4.471 4.417 4.524 . 0 0 "[ . 1 . 2 .]" 1
506 1 43 ASN HA 1 44 GLU HA 4.000 . 5.500 4.321 4.295 4.343 . 0 0 "[ . 1 . 2 .]" 1
507 1 43 ASN HA 1 44 GLU QB 4.000 . 5.500 4.399 4.186 4.608 . 0 0 "[ . 1 . 2 .]" 1
508 1 43 ASN HA 1 44 GLU QG 4.000 . 5.500 4.144 3.732 4.984 . 0 0 "[ . 1 . 2 .]" 1
509 1 43 ASN HA 1 44 GLU H 2.200 . 2.700 2.201 2.164 2.242 . 0 0 "[ . 1 . 2 .]" 1
510 1 43 ASN HA 1 45 ALA H 4.000 . 5.500 4.092 3.934 4.203 . 0 0 "[ . 1 . 2 .]" 1
511 1 43 ASN HA 1 46 GLN H 4.000 . 5.500 4.424 4.347 4.536 . 0 0 "[ . 1 . 2 .]" 1
512 1 43 ASN QB 1 44 GLU H 3.000 . 3.600 3.322 2.766 3.578 . 0 0 "[ . 1 . 2 .]" 1
513 1 43 ASN QB 1 45 ALA H 3.000 . 3.600 2.932 2.561 3.317 . 0 0 "[ . 1 . 2 .]" 1
514 1 43 ASN QB 1 46 GLN H 4.000 . 5.500 2.455 2.165 3.264 . 0 0 "[ . 1 . 2 .]" 1
515 1 43 ASN QD 1 44 GLU QB 4.000 . 5.500 4.809 4.094 5.379 . 0 0 "[ . 1 . 2 .]" 1
516 1 43 ASN QD 1 44 GLU H 4.000 . 5.500 3.965 3.182 4.591 . 0 0 "[ . 1 . 2 .]" 1
517 1 43 ASN QD 1 45 ALA MB 4.000 . 5.500 3.286 1.911 5.257 . 0 0 "[ . 1 . 2 .]" 1
518 1 43 ASN QD 1 45 ALA H 4.000 . 5.500 3.662 2.541 5.037 . 0 0 "[ . 1 . 2 .]" 1
519 1 43 ASN QD 1 46 GLN QE 4.000 . 5.500 3.902 1.965 5.504 0.004 5 0 "[ . 1 . 2 .]" 1
520 1 43 ASN QD 1 46 GLN QG 4.000 . 5.500 4.272 1.932 5.463 . 0 0 "[ . 1 . 2 .]" 1
521 1 43 ASN H 1 44 GLU H 4.000 . 5.500 4.575 4.540 4.597 . 0 0 "[ . 1 . 2 .]" 1
522 1 43 ASN H 1 46 GLN QB 3.000 . 3.600 2.776 2.558 3.201 . 0 0 "[ . 1 . 2 .]" 1
523 1 43 ASN H 1 46 GLN QG 4.000 . 5.500 3.346 2.019 4.235 . 0 0 "[ . 1 . 2 .]" 1
524 1 43 ASN H 1 46 GLN H 4.000 . 5.500 4.083 3.957 4.222 . 0 0 "[ . 1 . 2 .]" 1
525 1 44 GLU HA 1 45 ALA H 4.000 . 5.500 3.527 3.496 3.538 . 0 0 "[ . 1 . 2 .]" 1
526 1 44 GLU HA 1 47 ILE HB 4.000 . 5.500 3.066 2.871 3.243 . 0 0 "[ . 1 . 2 .]" 1
527 1 44 GLU QB 1 45 ALA H 2.200 . 2.700 2.641 2.544 2.713 0.013 3 0 "[ . 1 . 2 .]" 1
528 1 44 GLU QG 1 45 ALA H 4.000 . 5.500 4.263 3.995 4.498 . 0 0 "[ . 1 . 2 .]" 1
529 1 44 GLU H 1 45 ALA MB 4.000 . 5.500 4.455 4.377 4.503 . 0 0 "[ . 1 . 2 .]" 1
530 1 44 GLU H 1 45 ALA H 3.000 . 3.600 2.811 2.724 2.844 . 0 0 "[ . 1 . 2 .]" 1
531 1 44 GLU H 1 46 GLN H 4.000 . 5.500 4.196 4.090 4.331 . 0 0 "[ . 1 . 2 .]" 1
532 1 45 ALA HA 1 48 LYS H 3.000 . 3.600 3.532 3.472 3.605 0.005 13 0 "[ . 1 . 2 .]" 1
533 1 45 ALA HA 1 49 ILE H 4.000 . 5.500 4.072 4.023 4.153 . 0 0 "[ . 1 . 2 .]" 1
534 1 45 ALA MB 1 46 GLN H 2.200 . 2.700 2.688 2.600 2.723 0.023 8 0 "[ . 1 . 2 .]" 1
535 1 45 ALA MB 1 49 ILE MD 4.000 . 5.500 2.826 2.638 3.032 . 0 0 "[ . 1 . 2 .]" 1
536 1 45 ALA H 1 46 GLN QB 4.000 . 5.500 4.537 4.283 4.940 . 0 0 "[ . 1 . 2 .]" 1
537 1 45 ALA H 1 46 GLN H 2.200 . 2.700 2.624 2.590 2.677 . 0 0 "[ . 1 . 2 .]" 1
538 1 45 ALA H 1 47 ILE H 4.000 . 5.500 4.210 4.098 4.336 . 0 0 "[ . 1 . 2 .]" 1
539 1 46 GLN HA 1 48 LYS H 4.000 . 5.500 4.503 4.429 4.588 . 0 0 "[ . 1 . 2 .]" 1
540 1 46 GLN HA 1 49 ILE HB 4.000 . 5.500 3.014 2.879 3.136 . 0 0 "[ . 1 . 2 .]" 1
541 1 46 GLN HA 1 49 ILE MD 3.000 . 3.600 2.484 2.186 2.844 . 0 0 "[ . 1 . 2 .]" 1
542 1 46 GLN HA 1 49 ILE HG13 4.000 . 5.500 3.920 3.734 4.018 . 0 0 "[ . 1 . 2 .]" 1
543 1 46 GLN HA 1 49 ILE MG 4.000 . 5.500 4.352 4.227 4.491 . 0 0 "[ . 1 . 2 .]" 1
544 1 46 GLN HA 1 49 ILE H 3.000 . 3.600 3.588 3.507 3.618 0.018 11 0 "[ . 1 . 2 .]" 1
545 1 46 GLN HA 1 50 TRP H 4.000 . 5.500 4.145 4.010 4.254 . 0 0 "[ . 1 . 2 .]" 1
546 1 46 GLN QB 1 47 ILE H 3.000 . 3.600 2.617 2.495 2.761 . 0 0 "[ . 1 . 2 .]" 1
547 1 46 GLN QG 1 47 ILE H 4.000 . 5.500 4.197 3.607 4.545 . 0 0 "[ . 1 . 2 .]" 1
548 1 46 GLN H 1 47 ILE HA 4.000 . 5.500 5.210 5.169 5.254 . 0 0 "[ . 1 . 2 .]" 1
549 1 46 GLN H 1 47 ILE HB 4.000 . 5.500 4.917 4.873 4.963 . 0 0 "[ . 1 . 2 .]" 1
550 1 46 GLN H 1 47 ILE MD 4.000 . 5.500 4.457 3.771 5.259 . 0 0 "[ . 1 . 2 .]" 1
551 1 46 GLN H 1 47 ILE QG 4.000 . 5.500 4.062 3.835 4.521 . 0 0 "[ . 1 . 2 .]" 1
552 1 46 GLN H 1 47 ILE H 2.200 . 2.700 2.584 2.538 2.643 . 0 0 "[ . 1 . 2 .]" 1
553 1 46 GLN H 1 48 LYS H 4.000 . 5.500 4.062 3.979 4.209 . 0 0 "[ . 1 . 2 .]" 1
554 1 47 ILE HA 1 48 LYS H 4.000 . 5.500 3.541 3.529 3.552 . 0 0 "[ . 1 . 2 .]" 1
555 1 47 ILE HA 1 50 TRP QB 3.000 . 3.600 2.576 2.431 2.776 . 0 0 "[ . 1 . 2 .]" 1
556 1 47 ILE HA 1 50 TRP H 3.000 . 3.600 3.424 3.342 3.528 . 0 0 "[ . 1 . 2 .]" 1
557 1 47 ILE HB 1 48 LYS H 2.200 . 2.700 2.544 2.451 2.617 . 0 0 "[ . 1 . 2 .]" 1
558 1 47 ILE MG 1 48 LYS HA 4.000 . 5.500 3.718 3.628 3.824 . 0 0 "[ . 1 . 2 .]" 1
559 1 47 ILE MG 1 48 LYS H 4.000 . 5.500 3.582 3.521 3.659 . 0 0 "[ . 1 . 2 .]" 1
560 1 47 ILE MG 1 51 PHE QD 3.000 . 3.600 2.329 1.962 2.591 . 0 0 "[ . 1 . 2 .]" 1
561 1 47 ILE MG 1 51 PHE QE 3.000 . 3.600 2.995 2.606 3.303 . 0 0 "[ . 1 . 2 .]" 1
562 1 47 ILE H 1 48 LYS H 3.000 . 3.600 2.620 2.574 2.661 . 0 0 "[ . 1 . 2 .]" 1
563 1 48 LYS HA 1 51 PHE QB 4.000 . 5.500 2.921 2.769 3.154 . 0 0 "[ . 1 . 2 .]" 1
564 1 48 LYS HA 1 51 PHE H 4.000 . 5.500 3.660 3.497 3.832 . 0 0 "[ . 1 . 2 .]" 1
565 1 48 LYS HA 1 52 GLN H 4.000 . 5.500 4.093 3.905 4.223 . 0 0 "[ . 1 . 2 .]" 1
566 1 48 LYS QB 1 49 ILE HG13 4.000 . 5.500 2.999 2.913 3.080 . 0 0 "[ . 1 . 2 .]" 1
567 1 48 LYS QB 1 49 ILE H 4.000 . 5.500 2.478 2.443 2.572 . 0 0 "[ . 1 . 2 .]" 1
568 1 48 LYS QD 1 52 GLN QE 4.000 . 5.500 4.160 2.222 5.451 . 0 0 "[ . 1 . 2 .]" 1
569 1 48 LYS H 1 49 ILE H 3.000 . 3.600 2.757 2.732 2.778 . 0 0 "[ . 1 . 2 .]" 1
570 1 49 ILE HA 1 51 PHE H 4.000 . 5.500 4.524 4.381 4.662 . 0 0 "[ . 1 . 2 .]" 1
571 1 49 ILE HA 1 52 GLN QB 4.000 . 5.500 2.634 2.335 2.884 . 0 0 "[ . 1 . 2 .]" 1
572 1 49 ILE HA 1 52 GLN QG 4.000 . 5.500 4.434 3.706 4.887 . 0 0 "[ . 1 . 2 .]" 1
573 1 49 ILE HA 1 52 GLN H 3.000 . 3.600 3.506 3.358 3.571 . 0 0 "[ . 1 . 2 .]" 1
574 1 49 ILE HA 1 53 ASN H 4.000 . 5.500 3.821 3.698 4.036 . 0 0 "[ . 1 . 2 .]" 1
575 1 49 ILE HB 1 50 TRP H 2.200 . 2.700 2.668 2.577 2.714 0.014 1 0 "[ . 1 . 2 .]" 1
576 1 49 ILE MD 1 50 TRP H 4.000 . 5.500 4.387 4.166 4.497 . 0 0 "[ . 1 . 2 .]" 1
577 1 49 ILE HG12 1 50 TRP H 4.000 . 5.500 5.102 5.075 5.127 . 0 0 "[ . 1 . 2 .]" 1
578 1 49 ILE HG12 1 52 GLN QB 4.000 . 5.500 4.746 4.431 4.893 . 0 0 "[ . 1 . 2 .]" 1
579 1 49 ILE MG 1 50 TRP HA 4.000 . 5.500 3.525 3.439 3.651 . 0 0 "[ . 1 . 2 .]" 1
580 1 49 ILE MG 1 50 TRP H 3.000 . 3.600 3.517 3.438 3.599 . 0 0 "[ . 1 . 2 .]" 1
581 1 49 ILE MG 1 52 GLN QB 4.000 . 5.500 3.636 3.466 3.845 . 0 0 "[ . 1 . 2 .]" 1
582 1 49 ILE MG 1 52 GLN H 4.000 . 5.500 4.723 4.590 4.812 . 0 0 "[ . 1 . 2 .]" 1
583 1 49 ILE MG 1 53 ASN QB 4.000 . 5.500 3.149 2.673 3.852 . 0 0 "[ . 1 . 2 .]" 1
584 1 49 ILE MG 1 53 ASN QD 3.000 . 3.600 2.521 1.806 3.466 . 0 0 "[ . 1 . 2 .]" 1
585 1 49 ILE MG 1 53 ASN H 4.000 . 5.500 3.750 3.642 3.910 . 0 0 "[ . 1 . 2 .]" 1
586 1 49 ILE H 1 51 PHE H 4.000 . 5.500 4.293 4.188 4.400 . 0 0 "[ . 1 . 2 .]" 1
587 1 50 TRP HA 1 51 PHE H 3.000 . 3.600 3.550 3.536 3.564 . 0 0 "[ . 1 . 2 .]" 1
588 1 50 TRP HA 1 53 ASN QB 3.000 . 3.600 2.724 2.488 2.892 . 0 0 "[ . 1 . 2 .]" 1
589 1 50 TRP HA 1 53 ASN QD 4.000 . 5.500 4.460 3.584 5.500 . 4 0 "[ . 1 . 2 .]" 1
590 1 50 TRP HA 1 53 ASN H 3.000 . 3.600 3.598 3.568 3.614 0.014 4 0 "[ . 1 . 2 .]" 1
591 1 50 TRP HA 1 54 LYS H 4.000 . 5.500 4.007 3.841 4.166 . 0 0 "[ . 1 . 2 .]" 1
592 1 50 TRP QB 1 51 PHE QD 4.000 . 5.500 3.388 3.185 3.768 . 0 0 "[ . 1 . 2 .]" 1
593 1 50 TRP QB 1 51 PHE H 3.000 . 3.600 2.452 2.328 2.528 . 0 0 "[ . 1 . 2 .]" 1
594 1 50 TRP HE3 1 51 PHE HA 3.000 . 3.600 2.493 2.169 2.822 . 0 0 "[ . 1 . 2 .]" 1
595 1 50 TRP HE3 1 51 PHE QB 4.000 . 5.500 3.422 3.163 3.677 . 0 0 "[ . 1 . 2 .]" 1
596 1 50 TRP HE3 1 51 PHE QD 2.200 . 2.700 2.274 1.988 2.640 . 0 0 "[ . 1 . 2 .]" 1
597 1 50 TRP HE3 1 51 PHE QE 4.000 . 5.500 3.540 3.247 3.733 . 0 0 "[ . 1 . 2 .]" 1
598 1 50 TRP HE3 1 51 PHE H 3.000 . 3.600 2.814 2.542 3.056 . 0 0 "[ . 1 . 2 .]" 1
599 1 50 TRP HE3 1 54 LYS QB 4.000 . 5.500 3.869 3.530 4.076 . 0 0 "[ . 1 . 2 .]" 1
600 1 50 TRP HH2 1 54 LYS QD 4.000 . 5.500 3.690 2.265 4.985 . 0 0 "[ . 1 . 2 .]" 1
601 1 50 TRP HH2 1 54 LYS QE 4.000 . 5.500 3.792 2.410 5.269 . 0 0 "[ . 1 . 2 .]" 1
602 1 50 TRP H 1 51 PHE H 3.000 . 3.600 2.736 2.664 2.795 . 0 0 "[ . 1 . 2 .]" 1
603 1 50 TRP HZ2 1 54 LYS QD 4.000 . 5.500 3.778 2.365 5.168 . 0 0 "[ . 1 . 2 .]" 1
604 1 50 TRP HZ2 1 54 LYS QE 4.000 . 5.500 3.375 2.038 5.299 . 0 0 "[ . 1 . 2 .]" 1
605 1 50 TRP HZ2 1 54 LYS QG 3.000 . 3.600 3.388 2.891 3.609 0.009 18 0 "[ . 1 . 2 .]" 1
606 1 50 TRP HZ3 1 51 PHE QD 4.000 . 5.500 3.474 3.230 3.784 . 0 0 "[ . 1 . 2 .]" 1
607 1 50 TRP HZ3 1 51 PHE QE 4.000 . 5.500 3.238 2.971 3.462 . 0 0 "[ . 1 . 2 .]" 1
608 1 50 TRP HZ3 1 51 PHE HZ 4.000 . 5.500 3.739 3.459 3.993 . 0 0 "[ . 1 . 2 .]" 1
609 1 51 PHE HA 1 52 GLN H 3.000 . 3.600 3.546 3.525 3.560 . 0 0 "[ . 1 . 2 .]" 1
610 1 51 PHE HA 1 53 ASN H 4.000 . 5.500 4.421 4.281 4.528 . 0 0 "[ . 1 . 2 .]" 1
611 1 51 PHE HA 1 54 LYS QB 3.000 . 3.600 2.694 2.499 3.030 . 0 0 "[ . 1 . 2 .]" 1
612 1 51 PHE HA 1 54 LYS H 3.000 . 3.600 3.468 3.352 3.599 . 0 0 "[ . 1 . 2 .]" 1
613 1 51 PHE HA 1 55 ARG H 4.000 . 5.500 4.123 3.822 4.405 . 0 0 "[ . 1 . 2 .]" 1
614 1 51 PHE QB 1 52 GLN HA 4.000 . 5.500 3.774 3.734 3.811 . 0 0 "[ . 1 . 2 .]" 1
615 1 51 PHE QB 1 52 GLN H 3.000 . 3.600 2.638 2.550 2.725 . 0 0 "[ . 1 . 2 .]" 1
616 1 51 PHE H 1 52 GLN H 3.000 . 3.600 2.671 2.583 2.727 . 0 0 "[ . 1 . 2 .]" 1
617 1 51 PHE H 1 53 ASN H 4.000 . 5.500 4.072 3.982 4.169 . 0 0 "[ . 1 . 2 .]" 1
618 1 52 GLN HA 1 53 ASN H 3.000 . 3.600 3.533 3.513 3.546 . 0 0 "[ . 1 . 2 .]" 1
619 1 52 GLN HA 1 54 LYS H 4.000 . 5.500 4.426 4.264 4.700 . 0 0 "[ . 1 . 2 .]" 1
620 1 52 GLN HA 1 55 ARG H 3.000 . 3.600 3.553 3.459 3.622 0.022 3 0 "[ . 1 . 2 .]" 1
621 1 52 GLN HA 1 56 ALA MB 4.000 . 5.500 4.884 4.276 5.484 . 0 0 "[ . 1 . 2 .]" 1
622 1 52 GLN HA 1 56 ALA H 4.000 . 5.500 4.408 3.871 4.844 . 0 0 "[ . 1 . 2 .]" 1
623 1 52 GLN QB 1 53 ASN H 2.200 . 2.700 2.611 2.523 2.707 0.007 23 0 "[ . 1 . 2 .]" 1
624 1 52 GLN QB 1 54 LYS H 4.000 . 5.500 4.683 4.566 4.874 . 0 0 "[ . 1 . 2 .]" 1
625 1 52 GLN QB 1 55 ARG H 4.000 . 5.500 4.986 4.755 5.123 . 0 0 "[ . 1 . 2 .]" 1
626 1 52 GLN QE 1 53 ASN QD 4.000 . 5.500 4.877 3.046 5.503 0.003 11 0 "[ . 1 . 2 .]" 1
627 1 52 GLN H 1 53 ASN H 2.200 . 2.700 2.663 2.634 2.695 . 0 0 "[ . 1 . 2 .]" 1
628 1 53 ASN HA 1 54 LYS HA 4.000 . 5.500 4.767 4.747 4.782 . 0 0 "[ . 1 . 2 .]" 1
629 1 53 ASN HA 1 54 LYS H 3.000 . 3.600 3.524 3.497 3.557 . 0 0 "[ . 1 . 2 .]" 1
630 1 53 ASN HA 1 55 ARG H 4.000 . 5.500 4.308 4.095 4.558 . 0 0 "[ . 1 . 2 .]" 1
631 1 53 ASN HA 1 56 ALA H 3.000 . 3.600 3.479 3.360 3.571 . 0 0 "[ . 1 . 2 .]" 1
632 1 53 ASN HA 1 57 LYS H 4.000 . 5.500 4.744 4.268 5.512 0.012 12 0 "[ . 1 . 2 .]" 1
633 1 53 ASN QB 1 54 LYS H 3.000 . 3.600 2.727 2.485 2.865 . 0 0 "[ . 1 . 2 .]" 1
634 1 53 ASN QB 1 55 ARG H 4.000 . 5.500 4.673 4.436 4.863 . 0 0 "[ . 1 . 2 .]" 1
635 1 53 ASN QB 1 56 ALA H 4.000 . 5.500 4.887 4.675 5.040 . 0 0 "[ . 1 . 2 .]" 1
636 1 53 ASN QB 1 57 LYS QG 4.000 . 5.500 4.728 3.590 5.496 . 0 0 "[ . 1 . 2 .]" 1
637 1 53 ASN H 1 54 LYS HA 4.000 . 5.500 5.198 5.138 5.277 . 0 0 "[ . 1 . 2 .]" 1
638 1 53 ASN H 1 54 LYS H 3.000 . 3.600 2.575 2.508 2.673 . 0 0 "[ . 1 . 2 .]" 1
639 1 53 ASN H 1 55 ARG H 4.000 . 5.500 4.049 3.813 4.268 . 0 0 "[ . 1 . 2 .]" 1
640 1 54 LYS HA 1 55 ARG H 3.000 . 3.600 3.515 3.474 3.552 . 0 0 "[ . 1 . 2 .]" 1
641 1 54 LYS HA 1 57 LYS QB 4.000 . 5.500 3.089 2.415 5.463 . 0 0 "[ . 1 . 2 .]" 1
642 1 54 LYS HA 1 57 LYS H 3.000 . 3.600 3.506 3.367 3.643 0.043 12 0 "[ . 1 . 2 .]" 1
643 1 54 LYS HA 1 58 ILE H 4.000 . 5.500 4.799 2.984 5.367 . 0 0 "[ . 1 . 2 .]" 1
644 1 54 LYS QB 1 55 ARG H 3.000 . 3.600 2.753 2.623 2.920 . 0 0 "[ . 1 . 2 .]" 1
645 1 54 LYS QB 1 58 ILE MD 4.000 . 5.500 4.182 3.228 5.352 . 0 0 "[ . 1 . 2 .]" 1
646 1 54 LYS QG 1 55 ARG HA 4.000 . 5.500 5.170 4.128 5.522 0.022 17 0 "[ . 1 . 2 .]" 1
647 1 54 LYS QG 1 55 ARG H 4.000 . 5.500 4.449 4.097 4.641 . 0 0 "[ . 1 . 2 .]" 1
648 1 54 LYS H 1 55 ARG QB 4.000 . 5.500 4.344 4.205 4.848 . 0 0 "[ . 1 . 2 .]" 1
649 1 54 LYS H 1 55 ARG H 2.200 . 2.700 2.592 2.531 2.651 . 0 0 "[ . 1 . 2 .]" 1
650 1 54 LYS H 1 56 ALA MB 4.000 . 5.500 4.840 4.486 5.197 . 0 0 "[ . 1 . 2 .]" 1
651 1 55 ARG HA 1 56 ALA H 3.000 . 3.600 3.508 3.417 3.555 . 0 0 "[ . 1 . 2 .]" 1
652 1 55 ARG QB 1 56 ALA H 3.000 . 3.600 2.747 2.398 3.566 . 0 0 "[ . 1 . 2 .]" 1
653 1 55 ARG H 1 56 ALA H 2.200 . 2.700 2.581 2.517 2.652 . 0 0 "[ . 1 . 2 .]" 1
654 1 55 ARG H 1 57 LYS QE 4.000 . 5.500 5.225 4.588 5.486 . 0 0 "[ . 1 . 2 .]" 1
655 1 55 ARG H 1 58 ILE H 4.000 . 5.500 5.130 4.661 5.458 . 0 0 "[ . 1 . 2 .]" 1
656 1 57 LYS HA 1 58 ILE H 3.000 . 3.600 3.481 3.228 3.571 . 0 0 "[ . 1 . 2 .]" 1
657 1 57 LYS HA 1 59 LYS H 4.000 . 5.500 4.790 3.733 5.347 . 0 0 "[ . 1 . 2 .]" 1
658 1 57 LYS QB 1 58 ILE MD 4.000 . 5.500 3.890 2.025 5.336 . 0 0 "[ . 1 . 2 .]" 1
659 1 57 LYS QB 1 58 ILE H 4.000 . 5.500 2.905 2.405 3.925 . 0 0 "[ . 1 . 2 .]" 1
660 1 57 LYS QE 1 58 ILE H 4.000 . 5.500 4.964 2.192 5.505 0.005 14 0 "[ . 1 . 2 .]" 1
661 1 57 LYS QG 1 58 ILE H 4.000 . 5.500 4.124 2.064 4.626 . 0 0 "[ . 1 . 2 .]" 1
662 1 57 LYS H 1 58 ILE H 2.200 . 2.700 2.502 2.053 2.682 . 0 0 "[ . 1 . 2 .]" 1
663 1 57 LYS H 1 59 LYS H 4.000 . 5.500 4.474 3.757 5.486 . 0 0 "[ . 1 . 2 .]" 1
664 1 58 ILE HA 1 59 LYS H 3.000 . 3.600 3.401 2.317 3.575 . 0 0 "[ . 1 . 2 .]" 1
665 1 58 ILE HB 1 59 LYS H 4.000 . 5.500 2.813 1.919 4.434 . 0 0 "[ . 1 . 2 .]" 1
666 1 58 ILE HG13 1 59 LYS H 4.000 . 5.500 4.369 3.900 4.977 . 0 0 "[ . 1 . 2 .]" 1
667 1 58 ILE HG12 1 59 LYS H 4.000 . 5.500 4.730 3.911 5.495 . 0 0 "[ . 1 . 2 .]" 1
668 1 58 ILE MG 1 59 LYS H 3.000 . 3.600 3.202 2.058 3.610 0.010 14 0 "[ . 1 . 2 .]" 1
669 1 58 ILE MG 1 60 LYS H 4.000 . 5.500 4.874 3.795 5.508 0.008 5 0 "[ . 1 . 2 .]" 1
670 1 58 ILE H 1 59 LYS H 3.000 . 3.600 2.759 2.162 3.614 0.014 12 0 "[ . 1 . 2 .]" 1
671 1 59 LYS HA 1 60 LYS H 2.200 . 2.700 2.332 2.141 2.706 0.006 11 0 "[ . 1 . 2 .]" 1
672 1 59 LYS H 1 60 LYS H 4.000 . 5.500 4.216 3.107 4.630 . 0 0 "[ . 1 . 2 .]" 1
673 1 60 LYS HA 1 61 SER H 3.000 . 3.600 2.670 2.153 3.567 . 0 0 "[ . 1 . 2 .]" 1
674 1 60 LYS QG 1 61 SER H 4.000 . 5.500 3.594 1.955 4.813 . 0 0 "[ . 1 . 2 .]" 1
675 1 60 LYS H 1 61 SER H 4.000 . 5.500 3.628 1.934 4.641 . 0 0 "[ . 1 . 2 .]" 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 60
_Distance_constraint_stats_list.Viol_count 376
_Distance_constraint_stats_list.Viol_total 164.523
_Distance_constraint_stats_list.Viol_max 0.049
_Distance_constraint_stats_list.Viol_rms 0.0097
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.0175
_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 11 SER 0.961 0.048 8 0 "[ . 1 . 2 .]"
1 12 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 13 GLU 0.593 0.044 25 0 "[ . 1 . 2 .]"
1 14 GLN 0.551 0.048 8 0 "[ . 1 . 2 .]"
1 15 LEU 0.750 0.043 17 0 "[ . 1 . 2 .]"
1 16 ALA 0.114 0.028 23 0 "[ . 1 . 2 .]"
1 17 ARG 0.970 0.044 25 0 "[ . 1 . 2 .]"
1 18 LEU 0.002 0.002 8 0 "[ . 1 . 2 .]"
1 19 LYS 0.373 0.031 11 0 "[ . 1 . 2 .]"
1 20 ARG 0.114 0.028 23 0 "[ . 1 . 2 .]"
1 21 GLU 0.456 0.027 11 0 "[ . 1 . 2 .]"
1 22 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 23 ASN 0.035 0.014 21 0 "[ . 1 . 2 .]"
1 25 ASN 0.078 0.019 17 0 "[ . 1 . 2 .]"
1 29 THR 1.241 0.046 21 0 "[ . 1 . 2 .]"
1 30 GLU 0.016 0.006 1 0 "[ . 1 . 2 .]"
1 31 ARG 0.073 0.035 7 0 "[ . 1 . 2 .]"
1 32 ARG 0.764 0.046 21 0 "[ . 1 . 2 .]"
1 33 ARG 0.626 0.045 22 0 "[ . 1 . 2 .]"
1 34 GLN 0.223 0.026 23 0 "[ . 1 . 2 .]"
1 35 GLN 0.170 0.035 7 0 "[ . 1 . 2 .]"
1 36 LEU 0.050 0.007 17 0 "[ . 1 . 2 .]"
1 37 SER 1.052 0.049 2 0 "[ . 1 . 2 .]"
1 38 SER 0.207 0.026 23 0 "[ . 1 . 2 .]"
1 39 GLU 0.096 0.027 16 0 "[ . 1 . 2 .]"
1 40 LEU 0.017 0.005 18 0 "[ . 1 . 2 .]"
1 41 GLY 0.770 0.049 2 0 "[ . 1 . 2 .]"
1 42 LEU 0.166 0.034 8 0 "[ . 1 . 2 .]"
1 43 ASN 0.516 0.036 3 0 "[ . 1 . 2 .]"
1 44 GLU 0.014 0.014 19 0 "[ . 1 . 2 .]"
1 45 ALA 0.748 0.043 25 0 "[ . 1 . 2 .]"
1 46 GLN 0.193 0.020 14 0 "[ . 1 . 2 .]"
1 47 ILE 0.373 0.036 3 0 "[ . 1 . 2 .]"
1 48 LYS 0.032 0.014 19 0 "[ . 1 . 2 .]"
1 49 ILE 0.748 0.043 25 0 "[ . 1 . 2 .]"
1 50 TRP 0.051 0.010 23 0 "[ . 1 . 2 .]"
1 51 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 52 GLN 0.018 0.011 13 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 11 SER H 1 14 GLN OE1 1.950 . 2.100 1.990 1.877 2.107 0.007 19 0 "[ . 1 . 2 .]" 2
2 1 11 SER N 1 14 GLN OE1 2.900 2.700 3.100 2.785 2.694 2.946 0.006 13 0 "[ . 1 . 2 .]" 2
3 1 11 SER OG 1 14 GLN H 1.950 . 2.100 2.120 2.102 2.148 0.048 8 0 "[ . 1 . 2 .]" 2
4 1 11 SER OG 1 14 GLN N 2.900 2.700 3.100 3.064 3.011 3.111 0.011 14 0 "[ . 1 . 2 .]" 2
5 1 11 SER O 1 15 LEU H 1.950 . 2.100 1.797 1.757 1.847 0.043 17 0 "[ . 1 . 2 .]" 2
6 1 11 SER O 1 15 LEU N 2.900 2.700 3.100 2.729 2.666 2.823 0.034 9 0 "[ . 1 . 2 .]" 2
7 1 12 SER O 1 16 ALA H 1.950 . 2.100 1.970 1.850 2.066 . 0 0 "[ . 1 . 2 .]" 2
8 1 12 SER O 1 16 ALA N 2.900 2.700 3.100 2.859 2.760 2.966 . 0 0 "[ . 1 . 2 .]" 2
9 1 13 GLU O 1 17 ARG H 1.950 . 2.100 2.123 2.094 2.144 0.044 25 0 "[ . 1 . 2 .]" 2
10 1 13 GLU O 1 17 ARG N 2.900 2.700 3.100 3.072 3.044 3.103 0.003 9 0 "[ . 1 . 2 .]" 2
11 1 14 GLN O 1 18 LEU H 1.950 . 2.100 1.937 1.803 2.098 . 0 0 "[ . 1 . 2 .]" 2
12 1 14 GLN O 1 18 LEU N 2.900 2.700 3.100 2.886 2.698 3.078 0.002 8 0 "[ . 1 . 2 .]" 2
13 1 15 LEU O 1 19 LYS H 1.950 . 2.100 1.812 1.781 1.866 0.019 25 0 "[ . 1 . 2 .]" 2
14 1 15 LEU O 1 19 LYS N 2.900 2.700 3.100 2.712 2.669 2.810 0.031 11 0 "[ . 1 . 2 .]" 2
15 1 16 ALA O 1 20 ARG H 1.950 . 2.100 2.046 1.891 2.128 0.028 23 0 "[ . 1 . 2 .]" 2
16 1 16 ALA O 1 20 ARG N 2.900 2.700 3.100 2.951 2.756 3.069 . 0 0 "[ . 1 . 2 .]" 2
17 1 17 ARG O 1 21 GLU H 1.950 . 2.100 2.114 2.082 2.127 0.027 11 0 "[ . 1 . 2 .]" 2
18 1 17 ARG O 1 21 GLU N 2.900 2.700 3.100 3.057 3.010 3.082 . 0 0 "[ . 1 . 2 .]" 2
19 1 18 LEU O 1 22 PHE H 1.950 . 2.100 1.952 1.827 2.089 . 0 0 "[ . 1 . 2 .]" 2
20 1 18 LEU O 1 22 PHE N 2.900 2.700 3.100 2.851 2.756 2.964 . 0 0 "[ . 1 . 2 .]" 2
21 1 19 LYS O 1 23 ASN H 1.950 . 2.100 2.050 1.959 2.114 0.014 21 0 "[ . 1 . 2 .]" 2
22 1 19 LYS O 1 23 ASN N 2.900 2.700 3.100 2.933 2.813 3.038 . 0 0 "[ . 1 . 2 .]" 2
23 1 21 GLU O 1 25 ASN H 1.950 . 2.100 2.052 1.878 2.119 0.019 17 0 "[ . 1 . 2 .]" 2
24 1 21 GLU O 1 25 ASN N 2.900 2.700 3.100 2.939 2.768 3.024 . 0 0 "[ . 1 . 2 .]" 2
25 1 29 THR OG1 1 32 ARG H 1.950 . 2.100 2.129 2.117 2.146 0.046 21 0 "[ . 1 . 2 .]" 2
26 1 29 THR OG1 1 32 ARG N 2.900 2.700 3.100 3.052 3.002 3.113 0.013 14 0 "[ . 1 . 2 .]" 2
27 1 29 THR O 1 33 ARG H 1.950 . 2.100 1.794 1.755 1.884 0.045 22 0 "[ . 1 . 2 .]" 2
28 1 29 THR O 1 33 ARG N 2.900 2.700 3.100 2.748 2.686 2.837 0.014 19 0 "[ . 1 . 2 .]" 2
29 1 30 GLU O 1 34 GLN H 1.950 . 2.100 2.011 1.844 2.106 0.006 1 0 "[ . 1 . 2 .]" 2
30 1 30 GLU O 1 34 GLN N 2.900 2.700 3.100 2.980 2.794 3.086 . 0 0 "[ . 1 . 2 .]" 2
31 1 31 ARG O 1 35 GLN H 1.950 . 2.100 2.017 1.889 2.135 0.035 7 0 "[ . 1 . 2 .]" 2
32 1 31 ARG O 1 35 GLN N 2.900 2.700 3.100 2.876 2.734 2.985 . 0 0 "[ . 1 . 2 .]" 2
33 1 32 ARG O 1 36 LEU H 1.950 . 2.100 1.837 1.793 1.991 0.007 17 0 "[ . 1 . 2 .]" 2
34 1 32 ARG O 1 36 LEU N 2.900 2.700 3.100 2.793 2.710 2.951 . 0 0 "[ . 1 . 2 .]" 2
35 1 33 ARG O 1 37 SER H 1.950 . 2.100 2.007 1.802 2.128 0.028 1 0 "[ . 1 . 2 .]" 2
36 1 33 ARG O 1 37 SER N 2.900 2.700 3.100 2.905 2.708 3.070 . 0 0 "[ . 1 . 2 .]" 2
37 1 34 GLN O 1 38 SER H 1.950 . 2.100 2.091 2.015 2.126 0.026 23 0 "[ . 1 . 2 .]" 2
38 1 34 GLN O 1 38 SER N 2.900 2.700 3.100 3.039 2.958 3.086 . 0 0 "[ . 1 . 2 .]" 2
39 1 35 GLN O 1 39 GLU H 1.950 . 2.100 1.846 1.773 2.019 0.027 16 0 "[ . 1 . 2 .]" 2
40 1 35 GLN O 1 39 GLU N 2.900 2.700 3.100 2.778 2.688 2.937 0.012 1 0 "[ . 1 . 2 .]" 2
41 1 36 LEU O 1 40 LEU H 1.950 . 2.100 1.877 1.795 2.054 0.005 15 0 "[ . 1 . 2 .]" 2
42 1 36 LEU O 1 40 LEU N 2.900 2.700 3.100 2.815 2.695 3.026 0.005 18 0 "[ . 1 . 2 .]" 2
43 1 37 SER O 1 41 GLY H 1.950 . 2.100 2.004 1.904 2.112 0.012 9 0 "[ . 1 . 2 .]" 2
44 1 37 SER O 1 41 GLY N 2.900 2.700 3.100 2.670 2.651 2.702 0.049 2 0 "[ . 1 . 2 .]" 2
45 1 37 SER O 1 42 LEU H 1.950 . 2.100 2.087 1.964 2.134 0.034 8 0 "[ . 1 . 2 .]" 2
46 1 37 SER O 1 42 LEU N 2.900 2.700 3.100 2.861 2.705 3.020 . 0 0 "[ . 1 . 2 .]" 2
47 1 43 ASN O 1 46 GLN H 1.950 . 2.100 2.104 2.052 2.120 0.020 14 0 "[ . 1 . 2 .]" 2
48 1 43 ASN O 1 46 GLN N 2.900 2.700 3.100 2.775 2.734 2.793 . 0 0 "[ . 1 . 2 .]" 2
49 1 43 ASN O 1 47 ILE H 1.950 . 2.100 2.110 2.031 2.136 0.036 3 0 "[ . 1 . 2 .]" 2
50 1 43 ASN O 1 47 ILE N 2.900 2.700 3.100 3.039 2.987 3.083 . 0 0 "[ . 1 . 2 .]" 2
51 1 44 GLU O 1 48 LYS H 1.950 . 2.100 1.992 1.884 2.114 0.014 19 0 "[ . 1 . 2 .]" 2
52 1 44 GLU O 1 48 LYS N 2.900 2.700 3.100 2.938 2.812 3.077 . 0 0 "[ . 1 . 2 .]" 2
53 1 45 ALA O 1 49 ILE H 1.950 . 2.100 2.130 2.118 2.143 0.043 25 0 "[ . 1 . 2 .]" 2
54 1 45 ALA O 1 49 ILE N 2.900 2.700 3.100 3.067 3.048 3.080 . 0 0 "[ . 1 . 2 .]" 2
55 1 46 GLN O 1 50 TRP H 1.950 . 2.100 2.062 1.944 2.110 0.010 23 0 "[ . 1 . 2 .]" 2
56 1 46 GLN O 1 50 TRP N 2.900 2.700 3.100 2.965 2.830 3.033 . 0 0 "[ . 1 . 2 .]" 2
57 1 47 ILE O 1 51 PHE H 1.950 . 2.100 1.994 1.869 2.077 . 0 0 "[ . 1 . 2 .]" 2
58 1 47 ILE O 1 51 PHE N 2.900 2.700 3.100 2.948 2.820 3.032 . 0 0 "[ . 1 . 2 .]" 2
59 1 48 LYS O 1 52 GLN H 1.950 . 2.100 2.011 1.817 2.111 0.011 13 0 "[ . 1 . 2 .]" 2
60 1 48 LYS O 1 52 GLN N 2.900 2.700 3.100 2.960 2.726 3.076 . 0 0 "[ . 1 . 2 .]" 2
stop_
save_
Contact the webmaster for help, if required. Friday, May 10, 2024 3:14:03 PM GMT (wattos1)