NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
392405 |
1pxe   |
5901 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1pxe
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 288
_Distance_constraint_stats_list.Viol_count 1396
_Distance_constraint_stats_list.Viol_total 2589.845
_Distance_constraint_stats_list.Viol_max 0.455
_Distance_constraint_stats_list.Viol_rms 0.0488
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0204
_Distance_constraint_stats_list.Viol_average_violations_only 0.0883
_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 18 SER 0.722 0.455 1 0 "[ . 1 . 2 ]"
1 19 LYS 5.627 0.455 1 0 "[ . 1 . 2 ]"
1 20 CYS 3.381 0.193 4 0 "[ . 1 . 2 ]"
1 21 PRO 0.214 0.214 17 0 "[ . 1 . 2 ]"
1 22 THR 3.964 0.281 17 0 "[ . 1 . 2 ]"
1 25 CYS 8.347 0.281 17 0 "[ . 1 . 2 ]"
1 26 ASP 2.506 0.124 17 0 "[ . 1 . 2 ]"
1 27 GLY 4.351 0.195 2 0 "[ . 1 . 2 ]"
1 28 THR 12.694 0.195 2 0 "[ . 1 . 2 ]"
1 29 GLY 0.355 0.087 1 0 "[ . 1 . 2 ]"
1 30 HIS 16.254 0.340 21 0 "[ . 1 . 2 ]"
1 31 VAL 9.428 0.260 19 0 "[ . 1 . 2 ]"
1 32 THR 4.019 0.180 10 0 "[ . 1 . 2 ]"
1 33 GLY 3.766 0.136 4 0 "[ . 1 . 2 ]"
1 34 LEU 13.153 0.281 10 0 "[ . 1 . 2 ]"
1 35 TYR 12.803 0.257 15 0 "[ . 1 . 2 ]"
1 36 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 37 HIS 9.806 0.170 17 0 "[ . 1 . 2 ]"
1 38 HIS 13.508 0.260 19 0 "[ . 1 . 2 ]"
1 40 SER 1.278 0.195 11 0 "[ . 1 . 2 ]"
1 41 LEU 8.970 0.358 9 0 "[ . 1 . 2 ]"
1 43 GLY 5.782 0.190 17 0 "[ . 1 . 2 ]"
1 44 CYS 13.619 0.358 9 0 "[ . 1 . 2 ]"
1 46 HIS 10.471 0.245 21 0 "[ . 1 . 2 ]"
1 47 LYS 5.063 0.292 9 0 "[ . 1 . 2 ]"
1 48 ASP 4.908 0.303 21 0 "[ . 1 . 2 ]"
1 49 ARG 6.221 0.292 9 0 "[ . 1 . 2 ]"
1 50 VAL 0.966 0.146 21 0 "[ . 1 . 2 ]"
1 53 GLU 9.412 0.189 10 0 "[ . 1 . 2 ]"
1 54 ILE 8.054 0.184 19 0 "[ . 1 . 2 ]"
1 55 LEU 10.839 0.303 21 0 "[ . 1 . 2 ]"
1 56 ALA 4.511 0.240 1 0 "[ . 1 . 2 ]"
1 57 MET 1.406 0.240 1 0 "[ . 1 . 2 ]"
1 62 LEU 2.413 0.240 17 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 18 SER HA 1 19 LYS H 3.300 . 3.300 2.454 1.607 3.374 0.193 1 0 "[ . 1 . 2 ]" 1
2 1 18 SER QB 1 19 LYS H 3.150 . 5.300 2.892 1.345 3.817 0.455 1 0 "[ . 1 . 2 ]" 1
3 1 19 LYS H 1 19 LYS QB 3.150 . 4.900 2.758 1.518 3.425 0.282 1 0 "[ . 1 . 2 ]" 1
4 1 19 LYS H 1 19 LYS QD 2.650 . 4.300 3.412 1.641 4.342 0.159 1 0 "[ . 1 . 2 ]" 1
5 1 19 LYS H 1 20 CYS H 4.300 . 4.300 3.820 1.851 4.458 0.158 9 0 "[ . 1 . 2 ]" 1
6 1 19 LYS H 1 40 SER QB 4.300 . 4.300 4.135 3.119 4.495 0.195 11 0 "[ . 1 . 2 ]" 1
7 1 19 LYS HA 1 19 LYS QD 2.700 . 3.700 2.985 1.706 3.774 0.094 1 0 "[ . 1 . 2 ]" 1
8 1 19 LYS HA 1 19 LYS QG 3.300 . 3.900 2.737 1.878 3.517 . 0 0 "[ . 1 . 2 ]" 1
9 1 19 LYS HA 1 20 CYS H 3.300 . 3.300 2.733 2.077 3.493 0.193 4 0 "[ . 1 . 2 ]" 1
10 1 19 LYS QB 1 20 CYS H 2.650 . 4.300 2.240 1.854 3.006 . 0 0 "[ . 1 . 2 ]" 1
11 1 19 LYS QB 1 40 SER QB 2.700 . 4.700 2.939 1.857 3.987 . 0 0 "[ . 1 . 2 ]" 1
12 1 19 LYS QB 1 41 LEU H 3.150 . 5.300 5.165 4.179 5.426 0.126 14 0 "[ . 1 . 2 ]" 1
13 1 19 LYS QD 1 20 CYS H 2.650 . 4.300 3.957 3.332 4.325 0.025 9 0 "[ . 1 . 2 ]" 1
14 1 19 LYS QG 1 20 CYS H 3.150 . 5.300 4.006 2.611 4.627 . 0 0 "[ . 1 . 2 ]" 1
15 1 20 CYS H 1 20 CYS HB2 2.700 . 2.700 2.651 2.073 2.837 0.137 11 0 "[ . 1 . 2 ]" 1
16 1 20 CYS H 1 20 CYS HB3 3.300 . 3.300 2.590 2.387 3.299 . 0 0 "[ . 1 . 2 ]" 1
17 1 20 CYS H 1 38 HIS HD2 4.300 . 4.300 4.144 3.750 4.352 0.052 21 0 "[ . 1 . 2 ]" 1
18 1 20 CYS H 1 40 SER QB 2.650 . 4.300 3.395 1.811 4.349 0.049 18 0 "[ . 1 . 2 ]" 1
19 1 20 CYS H 1 41 LEU QD 2.700 . 5.600 3.953 2.998 4.906 . 0 0 "[ . 1 . 2 ]" 1
20 1 20 CYS QB 1 22 THR H 3.150 . 5.300 4.578 3.329 4.985 . 0 0 "[ . 1 . 2 ]" 1
21 1 20 CYS HB2 1 38 HIS HD2 3.300 . 3.300 2.912 2.433 3.294 . 0 0 "[ . 1 . 2 ]" 1
22 1 20 CYS HB2 1 40 SER H 4.300 . 4.300 3.676 2.728 4.342 0.042 3 0 "[ . 1 . 2 ]" 1
23 1 21 PRO HA 1 22 THR H 3.300 . 3.300 2.463 2.002 3.514 0.214 17 0 "[ . 1 . 2 ]" 1
24 1 22 THR H 1 22 THR HB 3.300 . 3.300 2.934 2.163 3.539 0.239 20 0 "[ . 1 . 2 ]" 1
25 1 22 THR H 1 22 THR MG 3.150 . 5.300 3.060 1.872 3.771 . 0 0 "[ . 1 . 2 ]" 1
26 1 22 THR H 1 25 CYS H 4.300 . 4.300 3.497 3.106 4.023 . 0 0 "[ . 1 . 2 ]" 1
27 1 22 THR H 1 25 CYS HB2 3.300 . 3.300 3.427 3.347 3.581 0.281 17 0 "[ . 1 . 2 ]" 1
28 1 22 THR H 1 25 CYS HB3 4.300 . 4.300 2.164 1.895 3.518 . 0 0 "[ . 1 . 2 ]" 1
29 1 22 THR HA 1 22 THR MG 2.700 . 3.800 2.504 2.030 3.184 . 0 0 "[ . 1 . 2 ]" 1
30 1 22 THR MG 1 25 CYS H 3.150 . 5.300 3.407 1.789 5.024 0.011 15 0 "[ . 1 . 2 ]" 1
31 1 22 THR MG 1 25 CYS HB2 3.300 . 4.800 4.028 1.931 4.907 0.107 7 0 "[ . 1 . 2 ]" 1
32 1 22 THR MG 1 25 CYS HB3 3.300 . 4.800 3.939 1.805 4.847 0.047 17 0 "[ . 1 . 2 ]" 1
33 1 25 CYS H 1 25 CYS HB2 3.300 . 3.300 2.619 2.408 3.443 0.143 20 0 "[ . 1 . 2 ]" 1
34 1 25 CYS H 1 25 CYS HB3 3.300 . 3.300 2.761 2.376 3.077 . 0 0 "[ . 1 . 2 ]" 1
35 1 25 CYS HA 1 26 ASP H 2.700 . 2.700 2.340 2.249 2.426 . 0 0 "[ . 1 . 2 ]" 1
36 1 25 CYS HA 1 26 ASP QB 3.300 . 4.300 3.995 3.925 4.074 . 0 0 "[ . 1 . 2 ]" 1
37 1 25 CYS HA 1 27 GLY H 4.300 . 4.300 4.273 4.110 4.384 0.084 17 0 "[ . 1 . 2 ]" 1
38 1 25 CYS HB2 1 26 ASP H 4.300 . 4.300 3.924 3.810 4.009 . 0 0 "[ . 1 . 2 ]" 1
39 1 25 CYS HB2 1 46 HIS HD2 4.300 . 4.300 3.650 3.111 4.322 0.022 17 0 "[ . 1 . 2 ]" 1
40 1 25 CYS HB2 1 53 GLU H 3.300 . 3.300 2.970 2.422 3.396 0.096 20 0 "[ . 1 . 2 ]" 1
41 1 25 CYS HB2 1 54 ILE H 4.300 . 4.300 4.341 4.024 4.448 0.148 15 0 "[ . 1 . 2 ]" 1
42 1 25 CYS HB2 1 55 LEU H 4.300 . 4.300 4.450 4.318 4.561 0.261 17 0 "[ . 1 . 2 ]" 1
43 1 26 ASP H 1 26 ASP HB2 2.700 . 2.700 2.681 2.402 2.729 0.029 20 0 "[ . 1 . 2 ]" 1
44 1 26 ASP H 1 26 ASP HB3 2.700 . 2.700 2.669 2.564 2.731 0.031 4 0 "[ . 1 . 2 ]" 1
45 1 26 ASP H 1 27 GLY H 3.300 . 3.300 2.171 1.994 2.470 . 0 0 "[ . 1 . 2 ]" 1
46 1 26 ASP H 1 28 THR H 4.300 . 4.300 4.220 3.850 4.424 0.124 17 0 "[ . 1 . 2 ]" 1
47 1 26 ASP H 1 28 THR MG 4.300 . 5.800 5.768 5.115 5.905 0.105 21 0 "[ . 1 . 2 ]" 1
48 1 26 ASP H 1 46 HIS HD2 4.300 . 4.300 4.108 3.174 4.362 0.062 21 0 "[ . 1 . 2 ]" 1
49 1 26 ASP H 1 46 HIS HE1 4.300 . 4.300 4.209 3.242 4.390 0.090 21 0 "[ . 1 . 2 ]" 1
50 1 26 ASP QB 1 28 THR H 3.150 . 5.300 3.162 2.347 3.625 . 0 0 "[ . 1 . 2 ]" 1
51 1 27 GLY H 1 27 GLY QA 2.700 . 2.700 2.249 2.219 2.287 . 0 0 "[ . 1 . 2 ]" 1
52 1 27 GLY H 1 28 THR H 2.700 . 2.700 2.402 2.217 2.532 . 0 0 "[ . 1 . 2 ]" 1
53 1 27 GLY H 1 38 HIS HE1 4.300 . 4.300 3.143 2.490 3.423 . 0 0 "[ . 1 . 2 ]" 1
54 1 27 GLY QA 1 38 HIS HD2 2.650 . 4.300 3.741 3.310 4.011 . 0 0 "[ . 1 . 2 ]" 1
55 1 27 GLY QA 1 38 HIS HE1 2.650 . 4.300 2.942 2.469 3.442 . 0 0 "[ . 1 . 2 ]" 1
56 1 27 GLY HA2 1 28 THR H 3.300 . 3.300 2.657 2.498 2.991 . 0 0 "[ . 1 . 2 ]" 1
57 1 27 GLY HA2 1 38 HIS H 4.300 . 4.300 3.504 3.364 3.595 . 0 0 "[ . 1 . 2 ]" 1
58 1 27 GLY HA3 1 28 THR H 3.300 . 3.300 3.470 3.408 3.495 0.195 2 0 "[ . 1 . 2 ]" 1
59 1 27 GLY HA3 1 38 HIS H 4.300 . 4.300 4.287 4.109 4.386 0.086 5 0 "[ . 1 . 2 ]" 1
60 1 28 THR H 1 28 THR HA 2.700 . 2.700 2.843 2.822 2.863 0.163 17 0 "[ . 1 . 2 ]" 1
61 1 28 THR H 1 28 THR HB 2.700 . 2.700 2.803 2.748 2.859 0.159 12 0 "[ . 1 . 2 ]" 1
62 1 28 THR H 1 28 THR MG 2.700 . 4.200 3.366 2.731 3.678 . 0 0 "[ . 1 . 2 ]" 1
63 1 28 THR H 1 37 HIS HA 4.300 . 4.300 4.364 4.264 4.432 0.132 19 0 "[ . 1 . 2 ]" 1
64 1 28 THR H 1 38 HIS HE1 4.300 . 4.300 2.971 2.587 3.667 . 0 0 "[ . 1 . 2 ]" 1
65 1 28 THR HA 1 28 THR MG 2.700 . 3.800 2.944 2.709 3.178 . 0 0 "[ . 1 . 2 ]" 1
66 1 28 THR HA 1 29 GLY H 2.700 . 2.700 2.273 2.067 2.728 0.028 12 0 "[ . 1 . 2 ]" 1
67 1 28 THR HA 1 37 HIS HA 3.300 . 3.300 2.463 2.233 2.770 . 0 0 "[ . 1 . 2 ]" 1
68 1 28 THR HA 1 37 HIS HD2 3.300 . 3.300 2.464 2.112 3.135 . 0 0 "[ . 1 . 2 ]" 1
69 1 28 THR HA 1 38 HIS H 3.300 . 3.300 3.361 3.318 3.416 0.116 20 0 "[ . 1 . 2 ]" 1
70 1 28 THR MG 1 29 GLY H 2.650 . 4.300 3.198 2.673 3.975 . 0 0 "[ . 1 . 2 ]" 1
71 1 28 THR MG 1 37 HIS HA 3.300 . 4.800 4.411 4.097 4.808 0.008 12 0 "[ . 1 . 2 ]" 1
72 1 28 THR MG 1 37 HIS HD2 3.150 . 5.300 2.994 2.397 3.759 . 0 0 "[ . 1 . 2 ]" 1
73 1 28 THR MG 1 38 HIS H 4.300 . 5.800 5.647 5.471 5.801 0.001 20 0 "[ . 1 . 2 ]" 1
74 1 29 GLY H 1 29 GLY QA 2.700 . 2.700 2.319 2.237 2.502 . 0 0 "[ . 1 . 2 ]" 1
75 1 29 GLY H 1 30 HIS H 3.300 . 3.300 2.315 1.973 2.558 . 0 0 "[ . 1 . 2 ]" 1
76 1 29 GLY H 1 37 HIS H 4.300 . 4.300 3.337 2.698 4.339 0.039 21 0 "[ . 1 . 2 ]" 1
77 1 29 GLY H 1 37 HIS HA 2.700 . 2.700 1.935 1.713 2.427 0.087 1 0 "[ . 1 . 2 ]" 1
78 1 29 GLY H 1 37 HIS QB 3.150 . 5.300 3.234 2.738 3.528 . 0 0 "[ . 1 . 2 ]" 1
79 1 29 GLY H 1 37 HIS HD2 4.300 . 4.300 2.443 1.892 3.796 . 0 0 "[ . 1 . 2 ]" 1
80 1 29 GLY H 1 38 HIS H 4.300 . 4.300 3.870 3.110 4.218 . 0 0 "[ . 1 . 2 ]" 1
81 1 29 GLY H 1 38 HIS HD1 4.300 . 4.300 3.822 2.465 4.314 0.014 7 0 "[ . 1 . 2 ]" 1
82 1 29 GLY QA 1 33 GLY QA 2.700 . 4.700 2.176 1.941 2.903 . 0 0 "[ . 1 . 2 ]" 1
83 1 29 GLY HA2 1 30 HIS H 2.350 . 3.700 2.923 2.540 3.367 . 0 0 "[ . 1 . 2 ]" 1
84 1 29 GLY HA3 1 30 HIS H 2.350 . 3.700 3.458 3.203 3.548 . 0 0 "[ . 1 . 2 ]" 1
85 1 30 HIS H 1 30 HIS HB2 3.300 . 3.300 2.377 2.013 2.784 . 0 0 "[ . 1 . 2 ]" 1
86 1 30 HIS H 1 30 HIS HB3 4.300 . 4.300 3.406 3.021 3.693 . 0 0 "[ . 1 . 2 ]" 1
87 1 30 HIS H 1 35 TYR H 4.300 . 4.300 4.415 3.907 4.557 0.257 15 0 "[ . 1 . 2 ]" 1
88 1 30 HIS H 1 38 HIS HD1 4.300 . 4.300 2.620 1.997 3.170 . 0 0 "[ . 1 . 2 ]" 1
89 1 30 HIS HA 1 30 HIS HD2 3.300 . 3.300 3.057 2.885 3.299 . 0 0 "[ . 1 . 2 ]" 1
90 1 30 HIS HB2 1 30 HIS HD2 3.300 . 3.300 2.852 2.747 2.928 . 0 0 "[ . 1 . 2 ]" 1
91 1 30 HIS HB2 1 31 VAL H 4.300 . 4.300 3.585 3.484 3.752 . 0 0 "[ . 1 . 2 ]" 1
92 1 30 HIS HB2 1 32 THR H 4.300 . 4.300 4.341 4.253 4.376 0.076 9 0 "[ . 1 . 2 ]" 1
93 1 30 HIS HB2 1 33 GLY H 4.300 . 4.300 4.013 3.733 4.408 0.108 15 0 "[ . 1 . 2 ]" 1
94 1 30 HIS HB2 1 34 LEU H 4.300 . 4.300 4.355 4.307 4.448 0.148 21 0 "[ . 1 . 2 ]" 1
95 1 30 HIS HB2 1 35 TYR H 3.300 . 3.300 2.998 2.888 3.222 . 0 0 "[ . 1 . 2 ]" 1
96 1 30 HIS HB2 1 37 HIS H 4.300 . 4.300 2.910 2.810 3.030 . 0 0 "[ . 1 . 2 ]" 1
97 1 30 HIS HB2 1 38 HIS HD1 4.300 . 4.300 4.049 3.684 4.311 0.011 19 0 "[ . 1 . 2 ]" 1
98 1 30 HIS HB2 1 44 CYS H 4.300 . 4.300 4.552 4.442 4.640 0.340 21 0 "[ . 1 . 2 ]" 1
99 1 30 HIS HB3 1 32 THR H 4.300 . 4.300 2.643 2.560 2.694 . 0 0 "[ . 1 . 2 ]" 1
100 1 30 HIS HB3 1 33 GLY H 3.300 . 3.300 2.797 2.419 3.292 . 0 0 "[ . 1 . 2 ]" 1
101 1 30 HIS HB3 1 34 LEU H 3.300 . 3.300 3.237 3.146 3.317 0.017 10 0 "[ . 1 . 2 ]" 1
102 1 30 HIS HB3 1 35 TYR H 3.300 . 3.300 2.808 2.707 2.879 . 0 0 "[ . 1 . 2 ]" 1
103 1 30 HIS HB3 1 37 HIS H 4.300 . 4.300 4.436 4.379 4.470 0.170 17 0 "[ . 1 . 2 ]" 1
104 1 30 HIS HD2 1 35 TYR HB2 4.300 . 4.300 3.077 2.878 3.271 . 0 0 "[ . 1 . 2 ]" 1
105 1 30 HIS HD2 1 35 TYR HB3 4.300 . 4.300 3.625 3.463 3.816 . 0 0 "[ . 1 . 2 ]" 1
106 1 30 HIS HD2 1 35 TYR QD 2.650 . 5.700 4.212 4.058 4.403 . 0 0 "[ . 1 . 2 ]" 1
107 1 30 HIS HD2 1 37 HIS H 4.300 . 4.300 4.344 4.317 4.367 0.067 2 0 "[ . 1 . 2 ]" 1
108 1 30 HIS HD2 1 38 HIS HA 2.700 . 2.700 2.012 1.826 2.708 0.008 12 0 "[ . 1 . 2 ]" 1
109 1 30 HIS HD2 1 38 HIS HB2 4.300 . 4.300 3.146 2.948 3.415 . 0 0 "[ . 1 . 2 ]" 1
110 1 30 HIS HD2 1 38 HIS HB3 3.300 . 3.300 2.105 1.938 2.359 . 0 0 "[ . 1 . 2 ]" 1
111 1 30 HIS HE1 1 31 VAL MG1 3.150 . 5.300 3.167 2.828 3.561 . 0 0 "[ . 1 . 2 ]" 1
112 1 30 HIS HE1 1 31 VAL MG2 4.300 . 5.800 5.486 5.192 5.805 0.005 17 0 "[ . 1 . 2 ]" 1
113 1 30 HIS HE1 1 32 THR MG 3.150 . 5.300 5.276 5.107 5.374 0.074 1 0 "[ . 1 . 2 ]" 1
114 1 30 HIS HE1 1 35 TYR HD2 3.300 . 3.300 3.377 3.346 3.399 0.099 20 0 "[ . 1 . 2 ]" 1
115 1 30 HIS HE1 1 35 TYR HE2 3.300 . 3.300 3.057 2.883 3.240 . 0 0 "[ . 1 . 2 ]" 1
116 1 31 VAL H 1 31 VAL HB 3.300 . 3.300 2.534 2.401 2.698 . 0 0 "[ . 1 . 2 ]" 1
117 1 31 VAL H 1 31 VAL MG1 2.650 . 4.800 2.253 1.952 2.481 . 0 0 "[ . 1 . 2 ]" 1
118 1 31 VAL H 1 32 THR H 3.300 . 3.300 2.850 2.667 3.073 . 0 0 "[ . 1 . 2 ]" 1
119 1 31 VAL H 1 35 TYR HD1 4.300 . 4.300 4.370 4.325 4.432 0.132 20 0 "[ . 1 . 2 ]" 1
120 1 31 VAL H 1 38 HIS HD1 4.300 . 4.300 4.452 4.383 4.560 0.260 19 0 "[ . 1 . 2 ]" 1
121 1 31 VAL H 1 43 GLY H 4.300 . 4.300 4.365 4.129 4.421 0.121 3 0 "[ . 1 . 2 ]" 1
122 1 31 VAL H 1 43 GLY HA2 4.300 . 4.300 2.419 1.970 2.819 . 0 0 "[ . 1 . 2 ]" 1
123 1 31 VAL H 1 44 CYS H 4.300 . 4.300 3.081 2.763 3.284 . 0 0 "[ . 1 . 2 ]" 1
124 1 31 VAL HA 1 31 VAL HB 2.650 . 4.300 2.454 2.413 2.486 . 0 0 "[ . 1 . 2 ]" 1
125 1 31 VAL HA 1 31 VAL MG1 2.650 . 4.400 3.189 3.129 3.210 . 0 0 "[ . 1 . 2 ]" 1
126 1 31 VAL HA 1 31 VAL MG2 2.350 . 3.800 2.325 2.228 2.429 . 0 0 "[ . 1 . 2 ]" 1
127 1 31 VAL HA 1 32 THR H 4.300 . 4.300 3.544 3.490 3.589 . 0 0 "[ . 1 . 2 ]" 1
128 1 31 VAL HA 1 46 HIS H 4.300 . 4.300 4.445 4.391 4.545 0.245 21 0 "[ . 1 . 2 ]" 1
129 1 31 VAL HB 1 44 CYS H 4.300 . 4.300 4.165 3.966 4.330 0.030 12 0 "[ . 1 . 2 ]" 1
130 1 32 THR H 1 32 THR MG 2.650 . 4.300 2.367 2.015 2.755 . 0 0 "[ . 1 . 2 ]" 1
131 1 32 THR H 1 33 GLY H 3.300 . 3.300 2.086 1.834 2.267 . 0 0 "[ . 1 . 2 ]" 1
132 1 32 THR H 1 33 GLY QA 3.150 . 5.300 3.955 3.794 4.092 . 0 0 "[ . 1 . 2 ]" 1
133 1 32 THR H 1 34 LEU H 4.300 . 4.300 2.987 2.889 3.114 . 0 0 "[ . 1 . 2 ]" 1
134 1 32 THR H 1 34 LEU HG 4.300 . 4.300 4.417 4.366 4.480 0.180 10 0 "[ . 1 . 2 ]" 1
135 1 32 THR H 1 35 TYR HD1 4.300 . 4.300 3.235 2.886 3.489 . 0 0 "[ . 1 . 2 ]" 1
136 1 32 THR MG 1 33 GLY H 3.150 . 5.300 3.776 3.154 4.110 . 0 0 "[ . 1 . 2 ]" 1
137 1 32 THR MG 1 35 TYR H 3.150 . 5.300 4.732 3.738 5.376 0.076 3 0 "[ . 1 . 2 ]" 1
138 1 32 THR MG 1 35 TYR HE1 3.150 . 5.300 2.075 1.836 2.564 . 0 0 "[ . 1 . 2 ]" 1
139 1 33 GLY H 1 33 GLY HA2 2.700 . 2.700 2.292 2.277 2.313 . 0 0 "[ . 1 . 2 ]" 1
140 1 33 GLY H 1 33 GLY HA3 2.700 . 2.700 2.804 2.775 2.836 0.136 4 0 "[ . 1 . 2 ]" 1
141 1 33 GLY H 1 34 LEU H 3.300 . 3.300 2.540 2.384 2.694 . 0 0 "[ . 1 . 2 ]" 1
142 1 33 GLY H 1 35 TYR H 4.300 . 4.300 3.615 3.353 3.818 . 0 0 "[ . 1 . 2 ]" 1
143 1 33 GLY QA 1 34 LEU QD 2.700 . 6.600 3.950 3.587 4.112 . 0 0 "[ . 1 . 2 ]" 1
144 1 33 GLY HA2 1 34 LEU H 3.300 . 3.300 3.102 3.052 3.125 . 0 0 "[ . 1 . 2 ]" 1
145 1 33 GLY HA3 1 34 LEU H 3.300 . 3.300 3.367 3.333 3.393 0.093 2 0 "[ . 1 . 2 ]" 1
146 1 34 LEU H 1 34 LEU QB 2.350 . 3.300 2.557 2.486 2.770 . 0 0 "[ . 1 . 2 ]" 1
147 1 34 LEU H 1 34 LEU HG 2.700 . 2.700 2.416 2.304 2.474 . 0 0 "[ . 1 . 2 ]" 1
148 1 34 LEU H 1 35 TYR H 2.700 . 2.700 2.222 2.163 2.288 . 0 0 "[ . 1 . 2 ]" 1
149 1 34 LEU H 1 35 TYR HB2 4.300 . 4.300 4.387 4.351 4.408 0.108 6 0 "[ . 1 . 2 ]" 1
150 1 34 LEU H 1 35 TYR HE1 4.300 . 4.300 3.461 3.123 3.624 . 0 0 "[ . 1 . 2 ]" 1
151 1 34 LEU HA 1 34 LEU HG 2.700 . 2.700 2.931 2.884 2.981 0.281 10 0 "[ . 1 . 2 ]" 1
152 1 34 LEU QB 1 35 TYR H 3.150 . 5.300 3.457 3.370 3.595 . 0 0 "[ . 1 . 2 ]" 1
153 1 34 LEU QD 1 35 TYR QD 3.150 . 9.100 3.949 3.775 4.149 . 0 0 "[ . 1 . 2 ]" 1
154 1 34 LEU QD 1 35 TYR HE1 3.150 . 5.300 3.102 2.704 3.541 . 0 0 "[ . 1 . 2 ]" 1
155 1 34 LEU HG 1 35 TYR H 4.300 . 4.300 4.365 4.247 4.429 0.129 15 0 "[ . 1 . 2 ]" 1
156 1 35 TYR H 1 35 TYR HB2 3.300 . 3.300 2.696 2.626 2.757 . 0 0 "[ . 1 . 2 ]" 1
157 1 35 TYR H 1 35 TYR HB3 4.300 . 4.300 3.791 3.762 3.819 . 0 0 "[ . 1 . 2 ]" 1
158 1 35 TYR H 1 36 PRO QD 3.150 . 5.300 4.425 4.402 4.455 . 0 0 "[ . 1 . 2 ]" 1
159 1 35 TYR H 1 37 HIS H 4.300 . 4.300 3.794 3.672 3.891 . 0 0 "[ . 1 . 2 ]" 1
160 1 35 TYR HA 1 35 TYR HD1 3.300 . 3.300 3.434 3.382 3.551 0.251 5 0 "[ . 1 . 2 ]" 1
161 1 35 TYR HA 1 35 TYR QE 4.300 . 6.300 4.854 4.795 4.927 . 0 0 "[ . 1 . 2 ]" 1
162 1 35 TYR HA 1 37 HIS H 4.300 . 4.300 4.242 4.068 4.326 0.026 16 0 "[ . 1 . 2 ]" 1
163 1 35 TYR HB2 1 35 TYR HD1 3.300 . 3.300 2.790 2.725 2.831 . 0 0 "[ . 1 . 2 ]" 1
164 1 35 TYR HB2 1 37 HIS H 4.300 . 4.300 3.119 2.928 3.216 . 0 0 "[ . 1 . 2 ]" 1
165 1 35 TYR HB3 1 35 TYR QD 3.150 . 5.300 2.296 2.280 2.304 . 0 0 "[ . 1 . 2 ]" 1
166 1 35 TYR HB3 1 37 HIS H 4.300 . 4.300 3.839 3.543 3.965 . 0 0 "[ . 1 . 2 ]" 1
167 1 36 PRO HA 1 37 HIS H 2.650 . 4.300 2.821 2.764 2.917 . 0 0 "[ . 1 . 2 ]" 1
168 1 36 PRO QD 1 37 HIS H 2.650 . 4.300 3.767 3.593 3.909 . 0 0 "[ . 1 . 2 ]" 1
169 1 37 HIS H 1 37 HIS HB2 4.300 . 4.300 3.862 3.831 3.916 . 0 0 "[ . 1 . 2 ]" 1
170 1 37 HIS H 1 37 HIS HB3 4.300 . 4.300 4.106 4.013 4.154 . 0 0 "[ . 1 . 2 ]" 1
171 1 37 HIS H 1 37 HIS HD2 4.300 . 4.300 3.247 2.858 3.664 . 0 0 "[ . 1 . 2 ]" 1
172 1 37 HIS H 1 38 HIS H 4.300 . 4.300 4.427 4.394 4.454 0.154 5 0 "[ . 1 . 2 ]" 1
173 1 37 HIS HA 1 37 HIS HD2 4.300 . 4.300 2.775 2.692 2.940 . 0 0 "[ . 1 . 2 ]" 1
174 1 37 HIS HA 1 38 HIS H 2.700 . 2.700 2.579 2.452 2.645 . 0 0 "[ . 1 . 2 ]" 1
175 1 37 HIS HA 1 38 HIS HD1 4.300 . 4.300 3.537 3.376 3.679 . 0 0 "[ . 1 . 2 ]" 1
176 1 37 HIS HB2 1 38 HIS H 2.700 . 2.700 2.760 2.729 2.799 0.099 19 0 "[ . 1 . 2 ]" 1
177 1 37 HIS HB3 1 37 HIS HD2 3.300 . 3.300 3.281 3.091 3.358 0.058 9 0 "[ . 1 . 2 ]" 1
178 1 37 HIS HB3 1 38 HIS H 2.700 . 2.700 2.144 2.019 2.372 . 0 0 "[ . 1 . 2 ]" 1
179 1 38 HIS H 1 38 HIS HD1 3.300 . 3.300 3.003 2.488 3.294 . 0 0 "[ . 1 . 2 ]" 1
180 1 38 HIS HA 1 38 HIS HB2 2.700 . 2.700 2.461 2.380 2.500 . 0 0 "[ . 1 . 2 ]" 1
181 1 38 HIS HA 1 38 HIS HD1 4.300 . 4.300 4.338 4.264 4.456 0.156 12 0 "[ . 1 . 2 ]" 1
182 1 38 HIS HA 1 40 SER H 4.300 . 4.300 3.828 3.439 4.166 . 0 0 "[ . 1 . 2 ]" 1
183 1 38 HIS QB 1 38 HIS HD1 2.650 . 4.300 2.545 2.471 2.639 . 0 0 "[ . 1 . 2 ]" 1
184 1 38 HIS HB2 1 40 SER H 3.300 . 3.300 2.817 2.631 3.009 . 0 0 "[ . 1 . 2 ]" 1
185 1 38 HIS HD2 1 40 SER H 3.300 . 3.300 2.567 1.806 3.383 0.083 16 0 "[ . 1 . 2 ]" 1
186 1 38 HIS HD2 1 41 LEU HA 4.300 . 4.300 3.482 3.016 4.455 0.155 19 0 "[ . 1 . 2 ]" 1
187 1 38 HIS HD2 1 43 GLY H 4.300 . 4.300 4.228 3.947 4.421 0.121 2 0 "[ . 1 . 2 ]" 1
188 1 38 HIS HD2 1 44 CYS H 4.300 . 4.300 3.831 3.612 4.150 . 0 0 "[ . 1 . 2 ]" 1
189 1 38 HIS HD2 1 44 CYS HB2 3.300 . 3.300 3.178 2.857 3.379 0.079 19 0 "[ . 1 . 2 ]" 1
190 1 38 HIS HE1 1 44 CYS HA 3.300 . 3.300 2.414 2.151 3.058 . 0 0 "[ . 1 . 2 ]" 1
191 1 38 HIS HE1 1 44 CYS HB2 4.300 . 4.300 4.205 3.909 4.337 0.037 14 0 "[ . 1 . 2 ]" 1
192 1 38 HIS HE1 1 46 HIS QB 4.300 . 5.300 5.340 5.120 5.392 0.092 10 0 "[ . 1 . 2 ]" 1
193 1 38 HIS HE1 1 46 HIS HD2 3.150 . 5.300 3.337 2.997 3.509 . 0 0 "[ . 1 . 2 ]" 1
194 1 38 HIS HE1 1 46 HIS HE1 4.300 . 4.300 4.357 4.328 4.405 0.105 19 0 "[ . 1 . 2 ]" 1
195 1 40 SER H 1 40 SER QB 2.650 . 3.900 3.167 2.760 3.472 . 0 0 "[ . 1 . 2 ]" 1
196 1 40 SER QB 1 41 LEU H 2.650 . 4.300 3.846 2.869 4.094 . 0 0 "[ . 1 . 2 ]" 1
197 1 41 LEU H 1 41 LEU QB 2.650 . 3.900 3.442 2.815 3.509 . 0 0 "[ . 1 . 2 ]" 1
198 1 41 LEU H 1 41 LEU HG 2.700 . 2.700 2.771 2.480 2.836 0.136 11 0 "[ . 1 . 2 ]" 1
199 1 41 LEU H 1 43 GLY H 4.300 . 4.300 3.595 2.629 4.185 . 0 0 "[ . 1 . 2 ]" 1
200 1 41 LEU H 1 44 CYS H 4.300 . 4.300 4.545 4.489 4.658 0.358 9 0 "[ . 1 . 2 ]" 1
201 1 41 LEU H 1 57 MET QG 3.150 . 5.300 5.210 4.570 5.438 0.138 20 0 "[ . 1 . 2 ]" 1
202 1 41 LEU HA 1 43 GLY H 4.300 . 4.300 3.389 2.707 3.985 . 0 0 "[ . 1 . 2 ]" 1
203 1 41 LEU QD 1 57 MET QB 2.700 . 6.600 2.743 1.758 6.594 0.042 18 0 "[ . 1 . 2 ]" 1
204 1 43 GLY H 1 43 GLY HA3 2.700 . 2.700 2.473 2.282 2.662 . 0 0 "[ . 1 . 2 ]" 1
205 1 43 GLY H 1 44 CYS HB2 4.300 . 4.300 3.695 3.409 4.315 0.015 19 0 "[ . 1 . 2 ]" 1
206 1 43 GLY H 1 54 ILE MG 3.150 . 5.300 5.294 4.948 5.422 0.122 16 0 "[ . 1 . 2 ]" 1
207 1 43 GLY HA2 1 44 CYS H 3.300 . 3.300 3.432 3.352 3.490 0.190 17 0 "[ . 1 . 2 ]" 1
208 1 44 CYS H 1 44 CYS HB2 3.300 . 3.300 2.938 2.608 3.091 . 0 0 "[ . 1 . 2 ]" 1
209 1 44 CYS H 1 44 CYS HB3 4.300 . 4.300 3.716 3.489 3.798 . 0 0 "[ . 1 . 2 ]" 1
210 1 44 CYS H 1 54 ILE MG 3.150 . 5.300 5.161 4.588 5.351 0.051 6 0 "[ . 1 . 2 ]" 1
211 1 44 CYS HA 1 46 HIS H 4.300 . 4.300 3.670 3.200 3.976 . 0 0 "[ . 1 . 2 ]" 1
212 1 44 CYS HA 1 46 HIS HD2 4.300 . 4.300 3.858 3.611 4.164 . 0 0 "[ . 1 . 2 ]" 1
213 1 46 HIS H 1 46 HIS QB 2.650 . 3.900 2.626 2.460 2.792 . 0 0 "[ . 1 . 2 ]" 1
214 1 46 HIS H 1 46 HIS HD2 3.300 . 3.300 3.325 3.163 3.392 0.092 10 0 "[ . 1 . 2 ]" 1
215 1 46 HIS H 1 47 LYS H 3.300 . 3.300 3.067 2.704 3.352 0.052 16 0 "[ . 1 . 2 ]" 1
216 1 46 HIS H 1 47 LYS QB 4.300 . 5.300 4.264 3.800 5.425 0.125 5 0 "[ . 1 . 2 ]" 1
217 1 46 HIS H 1 53 GLU HA 4.300 . 4.300 4.373 4.245 4.448 0.148 14 0 "[ . 1 . 2 ]" 1
218 1 46 HIS H 1 54 ILE HG12 3.300 . 3.300 3.334 2.980 3.440 0.140 21 0 "[ . 1 . 2 ]" 1
219 1 46 HIS HA 1 47 LYS H 4.300 . 4.300 3.561 3.514 3.600 . 0 0 "[ . 1 . 2 ]" 1
220 1 46 HIS QB 1 46 HIS HD2 3.150 . 5.300 2.586 2.556 2.615 . 0 0 "[ . 1 . 2 ]" 1
221 1 46 HIS QB 1 49 ARG H 3.150 . 5.300 4.963 4.582 5.298 . 0 0 "[ . 1 . 2 ]" 1
222 1 46 HIS QB 1 54 ILE H 3.300 . 4.300 3.385 3.079 3.611 . 0 0 "[ . 1 . 2 ]" 1
223 1 46 HIS HB2 1 46 HIS HD2 3.300 . 3.300 2.643 2.610 2.674 . 0 0 "[ . 1 . 2 ]" 1
224 1 46 HIS HB2 1 47 LYS H 3.300 . 3.300 1.862 1.729 2.280 0.071 17 0 "[ . 1 . 2 ]" 1
225 1 46 HIS HB2 1 48 ASP H 4.300 . 4.300 3.824 3.612 4.166 . 0 0 "[ . 1 . 2 ]" 1
226 1 46 HIS HB3 1 47 LYS H 3.300 . 3.300 3.049 2.724 3.299 . 0 0 "[ . 1 . 2 ]" 1
227 1 46 HIS HB3 1 48 ASP H 4.300 . 4.300 4.090 3.633 4.349 0.049 6 0 "[ . 1 . 2 ]" 1
228 1 46 HIS HD2 1 54 ILE HG12 4.300 . 4.300 3.322 3.049 3.578 . 0 0 "[ . 1 . 2 ]" 1
229 1 47 LYS H 1 47 LYS QG 2.350 . 3.700 3.626 3.122 3.824 0.124 16 0 "[ . 1 . 2 ]" 1
230 1 47 LYS H 1 48 ASP H 3.300 . 3.300 2.907 2.423 3.126 . 0 0 "[ . 1 . 2 ]" 1
231 1 47 LYS H 1 49 ARG H 4.300 . 4.300 4.456 4.311 4.592 0.292 9 0 "[ . 1 . 2 ]" 1
232 1 47 LYS H 1 53 GLU HA 4.300 . 4.300 3.590 3.139 4.072 . 0 0 "[ . 1 . 2 ]" 1
233 1 47 LYS HA 1 48 ASP H 3.300 . 3.300 2.568 2.364 3.450 0.150 5 0 "[ . 1 . 2 ]" 1
234 1 47 LYS HA 1 49 ARG H 4.300 . 4.300 3.413 3.118 4.545 0.245 6 0 "[ . 1 . 2 ]" 1
235 1 47 LYS QB 1 48 ASP H 3.150 . 5.300 3.783 1.991 4.052 . 0 0 "[ . 1 . 2 ]" 1
236 1 47 LYS QG 1 48 ASP H 2.650 . 4.300 4.147 3.617 4.273 . 0 0 "[ . 1 . 2 ]" 1
237 1 48 ASP H 1 48 ASP HB2 3.300 . 3.300 2.918 2.301 3.505 0.205 5 0 "[ . 1 . 2 ]" 1
238 1 48 ASP H 1 48 ASP HB3 3.300 . 3.300 3.151 2.659 3.523 0.223 5 0 "[ . 1 . 2 ]" 1
239 1 48 ASP H 1 49 ARG H 3.300 . 3.300 1.861 1.744 1.995 0.056 21 0 "[ . 1 . 2 ]" 1
240 1 48 ASP H 1 53 GLU QB 2.700 . 3.700 1.979 1.796 2.688 0.004 8 0 "[ . 1 . 2 ]" 1
241 1 48 ASP H 1 55 LEU H 4.300 . 4.300 4.432 3.910 4.603 0.303 21 0 "[ . 1 . 2 ]" 1
242 1 48 ASP HA 1 48 ASP QB 2.350 . 3.700 2.454 1.991 2.538 . 0 0 "[ . 1 . 2 ]" 1
243 1 48 ASP HA 1 49 ARG H 3.300 . 3.300 3.192 2.614 3.396 0.096 6 0 "[ . 1 . 2 ]" 1
244 1 48 ASP QB 1 49 ARG H 2.650 . 4.300 3.398 2.843 3.737 . 0 0 "[ . 1 . 2 ]" 1
245 1 49 ARG H 1 49 ARG QB 2.350 . 3.300 2.852 2.104 3.383 0.083 19 0 "[ . 1 . 2 ]" 1
246 1 49 ARG H 1 54 ILE H 4.300 . 4.300 3.502 2.954 4.167 . 0 0 "[ . 1 . 2 ]" 1
247 1 49 ARG H 1 55 LEU H 4.300 . 4.300 4.083 3.646 4.438 0.138 19 0 "[ . 1 . 2 ]" 1
248 1 49 ARG H 1 62 LEU H 4.300 . 4.300 3.900 3.028 4.472 0.172 14 0 "[ . 1 . 2 ]" 1
249 1 49 ARG H 1 62 LEU HA 3.300 . 3.300 3.014 2.438 3.445 0.145 9 0 "[ . 1 . 2 ]" 1
250 1 49 ARG HA 1 50 VAL H 2.700 . 2.700 2.489 2.053 2.846 0.146 21 0 "[ . 1 . 2 ]" 1
251 1 49 ARG HA 1 62 LEU H 3.300 . 3.300 2.880 1.981 3.354 0.054 20 0 "[ . 1 . 2 ]" 1
252 1 50 VAL H 1 50 VAL HB 4.300 . 4.300 3.460 2.698 3.834 . 0 0 "[ . 1 . 2 ]" 1
253 1 50 VAL H 1 50 VAL QG 3.150 . 6.700 2.487 1.838 3.084 . 0 0 "[ . 1 . 2 ]" 1
254 1 50 VAL H 1 53 GLU QB 3.150 . 5.300 3.773 2.045 5.226 . 0 0 "[ . 1 . 2 ]" 1
255 1 50 VAL H 1 55 LEU H 4.300 . 4.300 3.904 3.077 4.416 0.116 8 0 "[ . 1 . 2 ]" 1
256 1 53 GLU H 1 53 GLU HA 2.700 . 2.700 2.843 2.718 2.889 0.189 10 0 "[ . 1 . 2 ]" 1
257 1 53 GLU H 1 53 GLU QB 2.650 . 3.900 2.840 2.491 3.470 . 0 0 "[ . 1 . 2 ]" 1
258 1 53 GLU H 1 54 ILE H 3.300 . 3.300 3.358 3.140 3.484 0.184 19 0 "[ . 1 . 2 ]" 1
259 1 53 GLU H 1 55 LEU H 4.300 . 4.300 3.556 3.140 4.086 . 0 0 "[ . 1 . 2 ]" 1
260 1 53 GLU HA 1 53 GLU QG 2.700 . 3.300 2.564 2.187 3.330 0.030 4 0 "[ . 1 . 2 ]" 1
261 1 53 GLU HA 1 54 ILE H 3.300 . 3.300 3.397 3.315 3.431 0.131 15 0 "[ . 1 . 2 ]" 1
262 1 53 GLU QB 1 54 ILE H 2.650 . 4.300 1.813 1.652 2.072 0.148 8 0 "[ . 1 . 2 ]" 1
263 1 53 GLU QB 1 55 LEU H 3.150 . 5.300 2.937 2.656 3.494 . 0 0 "[ . 1 . 2 ]" 1
264 1 53 GLU QB 1 56 ALA H 3.150 . 5.300 5.256 4.715 5.468 0.168 10 0 "[ . 1 . 2 ]" 1
265 1 54 ILE H 1 54 ILE HG12 3.300 . 3.300 3.086 2.946 3.304 0.004 5 0 "[ . 1 . 2 ]" 1
266 1 54 ILE H 1 54 ILE HG13 3.300 . 3.300 2.427 2.177 2.840 . 0 0 "[ . 1 . 2 ]" 1
267 1 54 ILE H 1 54 ILE MG 3.150 . 5.300 3.921 3.862 3.988 . 0 0 "[ . 1 . 2 ]" 1
268 1 54 ILE H 1 55 LEU H 3.300 . 3.300 1.870 1.705 2.006 0.095 21 0 "[ . 1 . 2 ]" 1
269 1 54 ILE H 1 56 ALA H 4.300 . 4.300 4.183 3.671 4.377 0.077 20 0 "[ . 1 . 2 ]" 1
270 1 54 ILE HA 1 55 LEU H 4.300 . 4.300 3.218 2.870 3.461 . 0 0 "[ . 1 . 2 ]" 1
271 1 54 ILE HA 1 56 ALA H 4.300 . 4.300 3.582 3.065 4.374 0.074 5 0 "[ . 1 . 2 ]" 1
272 1 54 ILE HA 1 57 MET H 3.150 . 5.300 4.495 3.404 5.058 . 0 0 "[ . 1 . 2 ]" 1
273 1 54 ILE HG13 1 55 LEU H 4.300 . 4.300 3.936 3.434 4.282 . 0 0 "[ . 1 . 2 ]" 1
274 1 55 LEU H 1 55 LEU HA 2.700 . 2.700 2.568 2.269 2.766 0.066 15 0 "[ . 1 . 2 ]" 1
275 1 55 LEU H 1 55 LEU QB 2.650 . 3.900 2.458 2.092 2.991 . 0 0 "[ . 1 . 2 ]" 1
276 1 55 LEU H 1 55 LEU QD 2.700 . 5.600 3.433 1.891 4.095 . 0 0 "[ . 1 . 2 ]" 1
277 1 55 LEU H 1 56 ALA H 3.300 . 3.300 2.866 2.444 3.100 . 0 0 "[ . 1 . 2 ]" 1
278 1 55 LEU H 1 62 LEU H 4.300 . 4.300 4.319 3.860 4.540 0.240 17 0 "[ . 1 . 2 ]" 1
279 1 55 LEU HA 1 56 ALA H 3.300 . 3.300 3.215 2.404 3.450 0.150 20 0 "[ . 1 . 2 ]" 1
280 1 55 LEU HA 1 57 MET H 4.300 . 4.300 4.187 3.644 4.381 0.081 5 0 "[ . 1 . 2 ]" 1
281 1 55 LEU HA 1 62 LEU H 3.300 . 3.300 2.839 2.005 3.405 0.105 6 0 "[ . 1 . 2 ]" 1
282 1 56 ALA H 1 56 ALA HA 2.700 . 2.700 2.621 2.189 2.909 0.209 17 0 "[ . 1 . 2 ]" 1
283 1 56 ALA H 1 57 MET H 4.300 . 4.300 2.921 1.816 3.424 . 0 0 "[ . 1 . 2 ]" 1
284 1 56 ALA MB 1 57 MET H 3.150 . 5.300 3.078 1.560 3.727 0.240 1 0 "[ . 1 . 2 ]" 1
285 1 57 MET H 1 57 MET QB 3.150 . 4.900 2.508 1.994 3.335 . 0 0 "[ . 1 . 2 ]" 1
286 1 57 MET H 1 57 MET QG 3.150 . 5.300 3.403 2.276 4.449 . 0 0 "[ . 1 . 2 ]" 1
287 1 57 MET HA 1 57 MET QG 2.700 . 3.300 2.264 1.975 3.101 . 0 0 "[ . 1 . 2 ]" 1
288 1 62 LEU H 1 62 LEU QB 3.150 . 4.900 3.030 2.505 3.440 . 0 0 "[ . 1 . 2 ]" 1
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