NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
376358 |
1fjp   |
4907 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1fjp
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 456
_Distance_constraint_stats_list.Viol_count 934
_Distance_constraint_stats_list.Viol_total 934.271
_Distance_constraint_stats_list.Viol_max 0.810
_Distance_constraint_stats_list.Viol_rms 0.0560
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0205
_Distance_constraint_stats_list.Viol_average_violations_only 0.1000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 8.342 0.810 2 2 "[ + -. 1]"
1 2 ASP 2.405 0.466 5 0 "[ . 1]"
1 3 LYS 1.949 0.207 2 0 "[ . 1]"
1 4 VAL 1.004 0.209 6 0 "[ . 1]"
1 5 GLN 1.112 0.139 3 0 "[ . 1]"
1 6 TYR 0.747 0.130 1 0 "[ . 1]"
1 7 LEU 2.185 0.211 4 0 "[ . 1]"
1 8 THR 1.742 0.116 5 0 "[ . 1]"
1 9 ARG 2.561 0.211 2 0 "[ . 1]"
1 10 SER 2.080 0.209 8 0 "[ . 1]"
1 11 ALA 2.016 0.151 10 0 "[ . 1]"
1 12 ILE 2.688 0.206 8 0 "[ . 1]"
1 13 ARG 2.024 0.213 10 0 "[ . 1]"
1 14 ARG 2.216 0.263 8 0 "[ . 1]"
1 15 ALA 1.648 0.177 4 0 "[ . 1]"
1 16 SER 4.628 0.221 4 0 "[ . 1]"
1 17 THR 3.532 0.221 4 0 "[ . 1]"
1 18 ILE 2.652 0.206 10 0 "[ . 1]"
1 19 GLU 3.985 0.205 3 0 "[ . 1]"
1 20 MET 1.219 0.209 10 0 "[ . 1]"
1 21 PRO 1.523 0.155 1 0 "[ . 1]"
1 22 GLN 2.063 0.211 9 0 "[ . 1]"
1 23 GLN 3.341 0.209 7 0 "[ . 1]"
1 24 ALA 0.561 0.111 4 0 "[ . 1]"
1 25 ARG 3.014 0.212 2 0 "[ . 1]"
1 26 GLN 2.956 0.213 9 0 "[ . 1]"
1 27 ASN 2.449 0.209 7 0 "[ . 1]"
1 28 LEU 2.286 0.210 3 0 "[ . 1]"
1 29 GLN 2.407 0.209 9 0 "[ . 1]"
1 30 ASN 2.767 0.210 10 0 "[ . 1]"
1 31 LEU 2.359 0.210 8 0 "[ . 1]"
1 32 PHE 1.069 0.102 9 0 "[ . 1]"
1 33 ILE 1.156 0.210 4 0 "[ . 1]"
1 34 ASN 0.802 0.092 7 0 "[ . 1]"
1 35 PHE 0.925 0.126 10 0 "[ . 1]"
1 36 CYS 1.137 0.151 8 0 "[ . 1]"
1 37 LEU 1.461 0.174 8 0 "[ . 1]"
1 38 ILE 1.348 0.208 8 0 "[ . 1]"
1 39 LEU 2.581 0.244 5 0 "[ . 1]"
1 40 ILE 2.341 0.205 10 0 "[ . 1]"
1 41 PHE 0.958 0.133 8 0 "[ . 1]"
1 42 LEU 1.216 0.194 4 0 "[ . 1]"
1 43 LEU 1.387 0.150 5 0 "[ . 1]"
1 44 LEU 1.544 0.369 7 0 "[ . 1]"
1 45 ILE 0.793 0.193 10 0 "[ . 1]"
1 46 CYS 3.395 0.207 4 0 "[ . 1]"
1 47 ILE 0.929 0.149 6 0 "[ . 1]"
1 48 ILE 1.929 0.204 4 0 "[ . 1]"
1 49 VAL 0.238 0.205 8 0 "[ . 1]"
1 50 MET 3.342 0.269 3 0 "[ . 1]"
1 51 LEU 0.068 0.035 6 0 "[ . 1]"
1 52 LEU 0.210 0.177 6 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET H1 1 1 MET HA 4.000 . 4.000 2.694 2.325 2.964 . 0 0 "[ . 1]" 1
2 1 1 MET H1 1 1 MET HB3 2.800 . 2.800 2.939 2.275 3.610 0.810 2 2 "[ + -. 1]" 1
3 1 1 MET H1 1 2 ASP H 4.000 . 4.000 3.609 2.026 4.466 0.466 5 0 "[ . 1]" 1
4 1 1 MET HA 1 1 MET HB2 2.800 . 2.800 2.493 2.452 2.506 . 0 0 "[ . 1]" 1
5 1 1 MET HA 1 1 MET HB3 2.800 . 2.800 2.717 2.423 3.011 0.211 7 0 "[ . 1]" 1
6 1 1 MET HA 1 1 MET HG3 4.000 . 4.000 3.315 2.440 3.719 . 0 0 "[ . 1]" 1
7 1 1 MET HA 1 2 ASP H 4.000 . 4.000 2.582 2.166 3.351 . 0 0 "[ . 1]" 1
8 1 1 MET HA 1 3 LYS H 4.000 . 4.000 3.946 3.816 4.013 0.013 6 0 "[ . 1]" 1
9 1 1 MET HA 1 4 VAL H 4.000 . 4.000 3.981 3.810 4.035 0.035 5 0 "[ . 1]" 1
10 1 1 MET HA 1 4 VAL MG1 6.500 . 6.500 3.397 2.336 4.812 . 0 0 "[ . 1]" 1
11 1 1 MET HA 1 4 VAL MG2 6.500 . 6.500 3.998 2.470 5.346 . 0 0 "[ . 1]" 1
12 1 1 MET HA 1 5 GLN H 5.000 . 5.000 4.743 4.496 5.033 0.033 10 0 "[ . 1]" 1
13 1 1 MET HB2 1 1 MET HG3 2.800 . 2.800 2.677 2.446 3.008 0.208 6 0 "[ . 1]" 1
14 1 1 MET HB3 1 1 MET HG3 2.800 . 2.800 2.778 2.437 3.004 0.204 5 0 "[ . 1]" 1
15 1 1 MET HB3 1 2 ASP H 4.000 . 4.000 3.956 3.436 4.154 0.154 10 0 "[ . 1]" 1
16 1 2 ASP H 1 2 ASP HB2 4.000 . 4.000 3.430 2.529 3.996 . 0 0 "[ . 1]" 1
17 1 2 ASP H 1 2 ASP HB3 4.000 . 4.000 3.057 2.471 3.723 . 0 0 "[ . 1]" 1
18 1 2 ASP H 1 3 LYS H 4.000 . 4.000 1.975 1.894 2.085 . 0 0 "[ . 1]" 1
19 1 2 ASP HA 1 3 LYS H 4.000 . 4.000 3.501 3.344 3.571 . 0 0 "[ . 1]" 1
20 1 2 ASP HA 1 5 GLN H 5.000 . 5.000 4.407 3.958 4.883 . 0 0 "[ . 1]" 1
21 1 2 ASP HA 1 5 GLN QB 5.900 . 5.900 4.071 3.238 4.985 . 0 0 "[ . 1]" 1
22 1 2 ASP HB2 1 3 LYS H 5.000 . 5.000 3.797 2.497 4.340 . 0 0 "[ . 1]" 1
23 1 2 ASP HB3 1 3 LYS H 4.000 . 4.000 3.587 2.427 4.045 0.045 3 0 "[ . 1]" 1
24 1 3 LYS H 1 3 LYS HB2 4.000 . 4.000 3.418 2.679 3.684 . 0 0 "[ . 1]" 1
25 1 3 LYS H 1 3 LYS HB3 2.800 . 2.800 2.664 2.191 2.849 0.049 8 0 "[ . 1]" 1
26 1 3 LYS H 1 3 LYS HG2 4.000 . 4.000 2.585 1.881 4.185 0.185 2 0 "[ . 1]" 1
27 1 3 LYS H 1 4 VAL H 2.800 . 2.800 2.082 1.985 2.377 . 0 0 "[ . 1]" 1
28 1 3 LYS H 1 5 GLN H 4.000 . 4.000 3.709 3.376 3.989 . 0 0 "[ . 1]" 1
29 1 3 LYS HA 1 3 LYS HB2 2.800 . 2.800 2.441 2.402 2.464 . 0 0 "[ . 1]" 1
30 1 3 LYS HA 1 3 LYS HB3 2.800 . 2.800 2.638 2.471 3.007 0.207 2 0 "[ . 1]" 1
31 1 3 LYS HA 1 3 LYS QD 4.900 . 4.900 4.317 3.972 4.482 . 0 0 "[ . 1]" 1
32 1 3 LYS HA 1 4 VAL H 4.000 . 4.000 3.522 3.452 3.555 . 0 0 "[ . 1]" 1
33 1 3 LYS HA 1 5 GLN H 5.000 . 5.000 3.994 3.599 4.699 . 0 0 "[ . 1]" 1
34 1 3 LYS HA 1 7 LEU H 4.000 . 4.000 3.980 3.768 4.115 0.115 1 0 "[ . 1]" 1
35 1 3 LYS HB2 1 4 VAL H 4.000 . 4.000 3.934 3.763 4.085 0.085 3 0 "[ . 1]" 1
36 1 4 VAL H 1 4 VAL HB 4.000 . 4.000 2.717 2.391 3.542 . 0 0 "[ . 1]" 1
37 1 4 VAL H 1 5 GLN H 2.800 . 2.800 2.603 2.262 2.798 . 0 0 "[ . 1]" 1
38 1 4 VAL HA 1 4 VAL HB . . 2.800 2.634 2.459 3.009 0.209 6 0 "[ . 1]" 1
39 1 4 VAL HA 1 5 GLN H 4.000 . 4.000 3.498 3.438 3.583 . 0 0 "[ . 1]" 1
40 1 4 VAL HA 1 7 LEU H 4.000 . 4.000 3.828 3.565 4.048 0.048 3 0 "[ . 1]" 1
41 1 4 VAL HA 1 8 THR H 4.000 . 4.000 3.892 3.565 4.031 0.031 9 0 "[ . 1]" 1
42 1 4 VAL MG1 1 5 GLN H 6.500 . 6.500 2.884 1.897 3.970 . 0 0 "[ . 1]" 1
43 1 4 VAL MG2 1 5 GLN H 6.500 . 6.500 3.471 1.963 3.913 . 0 0 "[ . 1]" 1
44 1 5 GLN H 1 5 GLN HA 2.800 . 2.800 2.893 2.821 2.939 0.139 3 0 "[ . 1]" 1
45 1 5 GLN H 1 5 GLN HG2 4.000 . 4.000 2.297 1.903 3.397 . 0 0 "[ . 1]" 1
46 1 5 GLN H 1 5 GLN HG3 4.000 . 4.000 3.125 2.027 3.671 . 0 0 "[ . 1]" 1
47 1 5 GLN H 1 6 TYR H 4.000 . 4.000 2.703 2.571 2.852 . 0 0 "[ . 1]" 1
48 1 5 GLN HA 1 5 GLN HG2 4.000 . 4.000 3.198 2.483 3.720 . 0 0 "[ . 1]" 1
49 1 5 GLN HA 1 5 GLN HG3 4.000 . 4.000 3.583 3.038 3.738 . 0 0 "[ . 1]" 1
50 1 5 GLN HA 1 8 THR H 4.000 . 4.000 3.890 3.666 4.073 0.073 1 0 "[ . 1]" 1
51 1 5 GLN QB 1 6 TYR H 4.900 . 4.900 2.601 1.931 3.414 . 0 0 "[ . 1]" 1
52 1 5 GLN HE22 1 5 GLN HG2 4.000 . 4.000 3.656 3.511 4.002 0.002 1 0 "[ . 1]" 1
53 1 6 TYR H 1 6 TYR HA 2.800 . 2.800 2.863 2.813 2.930 0.130 1 0 "[ . 1]" 1
54 1 6 TYR H 1 6 TYR QB 3.700 . 3.700 2.322 2.163 2.461 . 0 0 "[ . 1]" 1
55 1 6 TYR H 1 7 LEU H 2.800 . 2.800 2.680 2.338 2.837 0.037 6 0 "[ . 1]" 1
56 1 6 TYR HA 1 7 LEU H 4.000 . 4.000 3.555 3.494 3.593 . 0 0 "[ . 1]" 1
57 1 6 TYR HA 1 9 ARG H 4.000 . 4.000 3.536 3.187 3.928 . 0 0 "[ . 1]" 1
58 1 6 TYR HA 1 9 ARG HB3 4.000 . 4.000 3.061 2.550 4.048 0.048 6 0 "[ . 1]" 1
59 1 6 TYR HA 1 10 SER H 5.000 . 5.000 4.512 3.484 4.990 . 0 0 "[ . 1]" 1
60 1 6 TYR QB 1 7 LEU H 4.900 . 4.900 2.612 2.097 3.504 . 0 0 "[ . 1]" 1
61 1 7 LEU H 1 7 LEU HA 2.800 . 2.800 2.843 2.817 2.891 0.091 3 0 "[ . 1]" 1
62 1 7 LEU H 1 7 LEU HB2 4.000 . 4.000 2.397 2.217 2.561 . 0 0 "[ . 1]" 1
63 1 7 LEU H 1 7 LEU HB3 4.000 . 4.000 2.871 2.331 3.542 . 0 0 "[ . 1]" 1
64 1 7 LEU H 1 8 THR H 2.800 . 2.800 2.792 2.747 2.826 0.026 9 0 "[ . 1]" 1
65 1 7 LEU HA 1 7 LEU HB3 2.800 . 2.800 2.818 2.494 3.011 0.211 4 0 "[ . 1]" 1
66 1 7 LEU HB3 1 8 THR H 4.000 . 4.000 2.803 2.162 3.756 . 0 0 "[ . 1]" 1
67 1 8 THR H 1 8 THR HA 2.800 . 2.800 2.865 2.824 2.892 0.092 5 0 "[ . 1]" 1
68 1 8 THR H 1 8 THR HB 4.000 . 4.000 2.426 2.392 2.496 . 0 0 "[ . 1]" 1
69 1 8 THR H 1 9 ARG H 2.800 . 2.800 2.690 2.540 2.818 0.018 10 0 "[ . 1]" 1
70 1 8 THR HA 1 11 ALA H 5.000 . 5.000 3.161 2.837 3.429 . 0 0 "[ . 1]" 1
71 1 8 THR HA 1 11 ALA MB 4.300 . 4.300 2.345 1.911 2.763 . 0 0 "[ . 1]" 1
72 1 8 THR HB 1 9 ARG H 2.800 . 2.800 2.492 2.110 2.829 0.029 8 0 "[ . 1]" 1
73 1 8 THR HB 1 11 ALA H 5.000 . 5.000 5.074 5.014 5.116 0.116 5 0 "[ . 1]" 1
74 1 8 THR MG 1 9 ARG H 6.500 . 6.500 3.457 3.105 3.730 . 0 0 "[ . 1]" 1
75 1 8 THR MG 1 11 ALA H 6.500 . 6.500 3.999 3.586 4.334 . 0 0 "[ . 1]" 1
76 1 9 ARG H 1 9 ARG HA 2.800 . 2.800 2.799 2.785 2.810 0.010 4 0 "[ . 1]" 1
77 1 9 ARG H 1 9 ARG HB2 2.800 . 2.800 2.380 2.346 2.409 . 0 0 "[ . 1]" 1
78 1 9 ARG H 1 9 ARG QG 4.900 . 4.900 3.561 1.984 4.014 . 0 0 "[ . 1]" 1
79 1 9 ARG H 1 10 SER H 2.800 . 2.800 2.825 2.804 2.847 0.047 9 0 "[ . 1]" 1
80 1 9 ARG HA 1 9 ARG HB2 2.800 . 2.800 2.569 2.443 3.005 0.205 6 0 "[ . 1]" 1
81 1 9 ARG HA 1 9 ARG HB3 2.800 . 2.800 2.912 2.522 3.011 0.211 2 0 "[ . 1]" 1
82 1 9 ARG HA 1 12 ILE H 5.000 . 5.000 3.674 3.176 4.599 . 0 0 "[ . 1]" 1
83 1 9 ARG HA 1 12 ILE HB 5.000 . 5.000 3.820 2.644 4.906 . 0 0 "[ . 1]" 1
84 1 9 ARG HA 1 13 ARG H 4.000 . 4.000 3.918 3.688 4.038 0.038 5 0 "[ . 1]" 1
85 1 9 ARG HB2 1 9 ARG QD 3.700 . 3.700 2.742 2.332 3.320 . 0 0 "[ . 1]" 1
86 1 10 SER H 1 10 SER HA 2.800 . 2.800 2.896 2.854 2.970 0.170 7 0 "[ . 1]" 1
87 1 10 SER H 1 10 SER HB2 4.000 . 4.000 3.127 2.460 3.545 . 0 0 "[ . 1]" 1
88 1 10 SER HA 1 10 SER HB2 2.800 . 2.800 2.522 2.443 3.000 0.200 7 0 "[ . 1]" 1
89 1 10 SER HA 1 10 SER HB3 2.800 . 2.800 2.631 2.459 3.009 0.209 8 0 "[ . 1]" 1
90 1 10 SER HA 1 11 ALA H 4.000 . 4.000 3.462 3.401 3.510 . 0 0 "[ . 1]" 1
91 1 10 SER HA 1 13 ARG H 4.000 . 4.000 3.782 3.376 4.032 0.032 10 0 "[ . 1]" 1
92 1 10 SER HB2 1 11 ALA H 5.000 . 5.000 3.983 3.267 4.179 . 0 0 "[ . 1]" 1
93 1 11 ALA H 1 11 ALA HA 2.800 . 2.800 2.927 2.903 2.951 0.151 10 0 "[ . 1]" 1
94 1 12 ILE H 1 12 ILE HA 2.800 . 2.800 2.920 2.836 2.970 0.170 4 0 "[ . 1]" 1
95 1 12 ILE H 1 12 ILE HB 2.800 . 2.800 2.461 2.310 2.706 . 0 0 "[ . 1]" 1
96 1 12 ILE H 1 12 ILE QG 4.900 . 4.900 3.266 1.962 4.000 . 0 0 "[ . 1]" 1
97 1 12 ILE H 1 13 ARG H 2.800 . 2.800 2.337 1.941 2.704 . 0 0 "[ . 1]" 1
98 1 12 ILE H 1 14 ARG H 4.000 . 4.000 3.936 3.676 4.101 0.101 2 0 "[ . 1]" 1
99 1 12 ILE HA 1 12 ILE HB 2.800 . 2.800 2.793 2.463 3.006 0.206 8 0 "[ . 1]" 1
100 1 12 ILE HA 1 13 ARG H 4.000 . 4.000 3.544 3.486 3.578 . 0 0 "[ . 1]" 1
101 1 12 ILE HA 1 15 ALA H 4.000 . 4.000 3.538 3.111 3.843 . 0 0 "[ . 1]" 1
102 1 12 ILE HA 1 16 SER H 5.000 . 5.000 4.168 3.033 4.996 . 0 0 "[ . 1]" 1
103 1 13 ARG H 1 13 ARG HA 2.800 . 2.800 2.842 2.813 2.870 0.070 3 0 "[ . 1]" 1
104 1 13 ARG H 1 13 ARG QB 3.700 . 3.700 2.281 2.122 2.416 . 0 0 "[ . 1]" 1
105 1 13 ARG H 1 14 ARG H 2.800 . 2.800 2.743 2.628 2.845 0.045 7 0 "[ . 1]" 1
106 1 13 ARG HA 1 16 SER H 4.000 . 4.000 3.324 2.895 3.942 . 0 0 "[ . 1]" 1
107 1 13 ARG HA 1 17 THR H 4.000 . 4.000 4.027 3.844 4.092 0.092 1 0 "[ . 1]" 1
108 1 13 ARG HD3 1 13 ARG HE 2.800 . 2.800 2.600 2.350 2.862 0.062 2 0 "[ . 1]" 1
109 1 13 ARG HD3 1 13 ARG HG3 2.800 . 2.800 2.652 2.441 3.013 0.213 10 0 "[ . 1]" 1
110 1 13 ARG HE 1 13 ARG HG2 4.000 . 4.000 3.511 2.410 4.036 0.036 2 0 "[ . 1]" 1
111 1 13 ARG HE 1 13 ARG HG3 4.000 . 4.000 3.287 2.437 4.027 0.027 6 0 "[ . 1]" 1
112 1 14 ARG H 1 14 ARG HA 2.800 . 2.800 2.865 2.794 2.942 0.142 1 0 "[ . 1]" 1
113 1 14 ARG H 1 14 ARG QB 3.700 . 3.700 2.281 2.104 2.520 . 0 0 "[ . 1]" 1
114 1 14 ARG H 1 14 ARG HG3 4.000 . 4.000 3.167 1.932 4.263 0.263 8 0 "[ . 1]" 1
115 1 14 ARG HA 1 14 ARG QD 4.900 . 4.900 3.511 1.895 4.480 . 0 0 "[ . 1]" 1
116 1 14 ARG HA 1 14 ARG HG2 4.000 . 4.000 3.028 2.477 3.761 . 0 0 "[ . 1]" 1
117 1 14 ARG HA 1 14 ARG HG3 4.000 . 4.000 3.030 2.390 3.706 . 0 0 "[ . 1]" 1
118 1 14 ARG HA 1 17 THR HB 4.000 . 4.000 3.877 3.334 4.071 0.071 1 0 "[ . 1]" 1
119 1 14 ARG HE 1 14 ARG HG2 4.000 . 4.000 3.300 2.415 4.044 0.044 3 0 "[ . 1]" 1
120 1 14 ARG HE 1 14 ARG HG3 4.000 . 4.000 3.341 2.386 4.031 0.031 4 0 "[ . 1]" 1
121 1 15 ALA H 1 15 ALA HA 2.800 . 2.800 2.965 2.950 2.977 0.177 4 0 "[ . 1]" 1
122 1 15 ALA H 1 16 SER H 2.800 . 2.800 2.122 1.899 2.286 . 0 0 "[ . 1]" 1
123 1 15 ALA H 1 17 THR H 5.000 . 5.000 3.646 2.736 4.038 . 0 0 "[ . 1]" 1
124 1 15 ALA HA 1 16 SER H 4.000 . 4.000 3.462 3.225 3.556 . 0 0 "[ . 1]" 1
125 1 15 ALA HA 1 19 GLU H 5.000 . 5.000 4.364 3.690 4.970 . 0 0 "[ . 1]" 1
126 1 15 ALA MB 1 16 SER H 5.500 . 5.500 2.905 2.604 3.387 . 0 0 "[ . 1]" 1
127 1 16 SER H 1 16 SER HA 2.800 . 2.800 2.935 2.880 2.975 0.175 10 0 "[ . 1]" 1
128 1 16 SER H 1 16 SER HB2 4.000 . 4.000 2.912 2.275 3.715 . 0 0 "[ . 1]" 1
129 1 16 SER H 1 16 SER HB3 4.000 . 4.000 2.829 2.346 3.749 . 0 0 "[ . 1]" 1
130 1 16 SER H 1 17 THR H 4.000 . 4.000 2.384 1.911 2.774 . 0 0 "[ . 1]" 1
131 1 16 SER HA 1 16 SER HB2 2.800 . 2.800 2.607 2.423 2.993 0.193 1 0 "[ . 1]" 1
132 1 16 SER HA 1 16 SER HB3 2.800 . 2.800 2.702 2.479 3.007 0.207 6 0 "[ . 1]" 1
133 1 16 SER HA 1 17 THR H 4.000 . 4.000 3.251 3.081 3.348 . 0 0 "[ . 1]" 1
134 1 16 SER HA 1 19 GLU H 4.000 . 4.000 4.072 4.022 4.108 0.108 10 0 "[ . 1]" 1
135 1 16 SER HB2 1 17 THR H 5.000 . 5.000 4.116 3.450 4.535 . 0 0 "[ . 1]" 1
136 1 16 SER HB3 1 17 THR H 4.000 . 4.000 4.007 3.403 4.221 0.221 4 0 "[ . 1]" 1
137 1 17 THR H 1 17 THR HA 2.800 . 2.800 2.975 2.970 2.978 0.178 1 0 "[ . 1]" 1
138 1 17 THR H 1 17 THR HB 4.000 . 4.000 2.549 2.525 2.564 . 0 0 "[ . 1]" 1
139 1 17 THR H 1 18 ILE H 4.000 . 4.000 1.940 1.863 2.172 . 0 0 "[ . 1]" 1
140 1 17 THR HA 1 20 MET H 4.000 . 4.000 3.874 3.475 4.009 0.009 10 0 "[ . 1]" 1
141 1 17 THR HA 1 21 PRO QD 4.900 . 4.900 4.087 2.592 4.404 . 0 0 "[ . 1]" 1
142 1 17 THR HB 1 18 ILE H 4.000 . 4.000 3.260 2.869 3.734 . 0 0 "[ . 1]" 1
143 1 17 THR MG 1 18 ILE H 6.500 . 6.500 3.920 3.684 4.119 . 0 0 "[ . 1]" 1
144 1 18 ILE H 1 18 ILE HA 2.800 . 2.800 2.959 2.943 2.970 0.170 3 0 "[ . 1]" 1
145 1 18 ILE H 1 18 ILE HB 2.800 . 2.800 2.592 2.363 2.839 0.039 1 0 "[ . 1]" 1
146 1 18 ILE H 1 18 ILE QG 4.900 . 4.900 3.382 2.320 4.169 . 0 0 "[ . 1]" 1
147 1 18 ILE H 1 19 GLU H 4.000 . 4.000 2.050 1.876 2.237 . 0 0 "[ . 1]" 1
148 1 18 ILE H 1 20 MET H 5.000 . 5.000 3.437 3.024 3.860 . 0 0 "[ . 1]" 1
149 1 18 ILE HA 1 18 ILE HB 2.800 . 2.800 2.749 2.470 3.006 0.206 10 0 "[ . 1]" 1
150 1 18 ILE HA 1 18 ILE QG 3.700 . 3.700 2.700 2.367 2.929 . 0 0 "[ . 1]" 1
151 1 18 ILE HA 1 19 GLU H 4.000 . 4.000 3.475 3.417 3.522 . 0 0 "[ . 1]" 1
152 1 18 ILE HA 1 21 PRO QD 4.900 . 4.900 3.793 3.192 4.309 . 0 0 "[ . 1]" 1
153 1 19 GLU H 1 19 GLU HA 2.800 . 2.800 2.964 2.946 2.977 0.177 4 0 "[ . 1]" 1
154 1 19 GLU H 1 19 GLU HB2 4.000 . 4.000 2.891 2.354 3.722 . 0 0 "[ . 1]" 1
155 1 19 GLU H 1 19 GLU HB3 4.000 . 4.000 2.893 2.372 3.604 . 0 0 "[ . 1]" 1
156 1 19 GLU H 1 19 GLU QG 4.900 . 4.900 3.089 1.903 4.023 . 0 0 "[ . 1]" 1
157 1 19 GLU H 1 21 PRO QD 5.900 . 5.900 3.335 2.926 3.653 . 0 0 "[ . 1]" 1
158 1 19 GLU HA 1 19 GLU HB2 2.800 . 2.800 2.620 2.442 3.005 0.205 3 0 "[ . 1]" 1
159 1 19 GLU HA 1 19 GLU HB3 2.800 . 2.800 2.737 2.465 3.003 0.203 10 0 "[ . 1]" 1
160 1 19 GLU HA 1 20 MET H 4.000 . 4.000 3.450 3.220 3.532 . 0 0 "[ . 1]" 1
161 1 20 MET H 1 20 MET HB2 4.000 . 4.000 2.799 2.424 3.836 . 0 0 "[ . 1]" 1
162 1 20 MET H 1 20 MET HB3 4.000 . 4.000 3.132 2.444 3.819 . 0 0 "[ . 1]" 1
163 1 20 MET H 1 20 MET HG3 5.000 . 5.000 3.833 2.761 4.794 . 0 0 "[ . 1]" 1
164 1 20 MET H 1 21 PRO QD 4.900 . 4.900 2.367 2.117 2.623 . 0 0 "[ . 1]" 1
165 1 20 MET HA 1 20 MET HB2 2.800 . 2.800 2.688 2.446 3.009 0.209 10 0 "[ . 1]" 1
166 1 20 MET HA 1 20 MET HG2 4.000 . 4.000 2.999 2.446 3.711 . 0 0 "[ . 1]" 1
167 1 20 MET HA 1 20 MET HG3 4.000 . 4.000 2.964 2.487 3.724 . 0 0 "[ . 1]" 1
168 1 20 MET HA 1 21 PRO QD 4.900 . 4.900 2.733 2.339 3.552 . 0 0 "[ . 1]" 1
169 1 20 MET HA 1 23 GLN H 4.000 . 4.000 3.543 3.099 3.835 . 0 0 "[ . 1]" 1
170 1 20 MET HA 1 24 ALA H 4.000 . 4.000 3.804 3.421 4.111 0.111 4 0 "[ . 1]" 1
171 1 20 MET HA 1 24 ALA MB 6.500 . 6.500 4.214 3.584 4.573 . 0 0 "[ . 1]" 1
172 1 20 MET HB2 1 20 MET HG3 2.800 . 2.800 2.515 2.442 3.005 0.205 8 0 "[ . 1]" 1
173 1 20 MET HB2 1 21 PRO QD 4.900 . 4.900 3.955 3.289 4.349 . 0 0 "[ . 1]" 1
174 1 20 MET HB3 1 21 PRO QD 4.900 . 4.900 3.575 1.869 4.362 . 0 0 "[ . 1]" 1
175 1 20 MET HG2 1 21 PRO QD 4.900 . 4.900 4.145 3.436 4.419 . 0 0 "[ . 1]" 1
176 1 21 PRO HA 1 21 PRO HB3 2.800 . 2.800 2.312 2.305 2.318 . 0 0 "[ . 1]" 1
177 1 21 PRO HA 1 21 PRO HG2 4.000 . 4.000 3.908 3.871 3.989 . 0 0 "[ . 1]" 1
178 1 21 PRO HA 1 22 GLN H 4.000 . 4.000 3.558 3.487 3.594 . 0 0 "[ . 1]" 1
179 1 21 PRO HA 1 24 ALA MB 7.000 . 7.000 2.847 2.168 3.413 . 0 0 "[ . 1]" 1
180 1 21 PRO HA 1 25 ARG H 4.000 . 4.000 3.990 3.852 4.037 0.037 5 0 "[ . 1]" 1
181 1 21 PRO HB3 1 21 PRO HG2 2.800 . 2.800 2.942 2.912 2.955 0.155 1 0 "[ . 1]" 1
182 1 21 PRO QD 1 22 GLN H 4.900 . 4.900 2.470 2.158 2.696 . 0 0 "[ . 1]" 1
183 1 22 GLN H 1 22 GLN HB2 4.000 . 4.000 2.494 2.343 3.526 . 0 0 "[ . 1]" 1
184 1 22 GLN H 1 22 GLN HB3 4.000 . 4.000 3.436 2.414 3.613 . 0 0 "[ . 1]" 1
185 1 22 GLN H 1 22 GLN HG3 4.000 . 4.000 2.917 1.930 3.750 . 0 0 "[ . 1]" 1
186 1 22 GLN H 1 23 GLN H 4.000 . 4.000 2.574 2.165 2.834 . 0 0 "[ . 1]" 1
187 1 22 GLN HA 1 22 GLN HB2 2.800 . 2.800 2.957 2.485 3.011 0.211 9 0 "[ . 1]" 1
188 1 22 GLN HA 1 22 GLN HB3 2.800 . 2.800 2.477 2.462 2.489 . 0 0 "[ . 1]" 1
189 1 22 GLN HA 1 22 GLN HG3 4.000 . 4.000 3.435 3.021 3.730 . 0 0 "[ . 1]" 1
190 1 22 GLN HA 1 23 GLN H 4.000 . 4.000 3.528 3.395 3.579 . 0 0 "[ . 1]" 1
191 1 22 GLN HA 1 25 ARG H 4.000 . 4.000 3.945 3.674 4.039 0.039 2 0 "[ . 1]" 1
192 1 22 GLN HA 1 25 ARG HB2 4.000 . 4.000 3.825 3.441 4.012 0.012 2 0 "[ . 1]" 1
193 1 22 GLN HA 1 25 ARG HB3 4.000 . 4.000 3.161 2.790 3.545 . 0 0 "[ . 1]" 1
194 1 22 GLN HE22 1 22 GLN HG2 4.000 . 4.000 3.760 3.513 4.023 0.023 5 0 "[ . 1]" 1
195 1 22 GLN HE22 1 22 GLN HG3 4.000 . 4.000 3.980 3.959 4.000 . 0 0 "[ . 1]" 1
196 1 23 GLN H 1 23 GLN HA 2.800 . 2.800 2.903 2.851 2.950 0.150 2 0 "[ . 1]" 1
197 1 23 GLN H 1 23 GLN HB2 2.800 . 2.800 2.547 2.211 2.750 . 0 0 "[ . 1]" 1
198 1 23 GLN H 1 23 GLN HB3 2.800 . 2.800 2.375 2.319 2.583 . 0 0 "[ . 1]" 1
199 1 23 GLN H 1 23 GLN QG 4.900 . 4.900 3.931 3.879 3.966 . 0 0 "[ . 1]" 1
200 1 23 GLN H 1 24 ALA H 2.800 . 2.800 2.566 2.229 2.805 0.005 6 0 "[ . 1]" 1
201 1 23 GLN H 1 25 ARG H 4.000 . 4.000 3.976 3.730 4.045 0.045 3 0 "[ . 1]" 1
202 1 23 GLN HA 1 23 GLN HB2 2.800 . 2.800 2.462 2.437 2.563 . 0 0 "[ . 1]" 1
203 1 23 GLN HA 1 23 GLN HB3 2.800 . 2.800 3.006 3.004 3.009 0.209 7 0 "[ . 1]" 1
204 1 23 GLN HA 1 26 GLN H 4.000 . 4.000 3.422 3.143 3.673 . 0 0 "[ . 1]" 1
205 1 23 GLN HA 1 26 GLN HB2 5.000 . 5.000 2.856 2.843 2.888 . 0 0 "[ . 1]" 1
206 1 23 GLN HA 1 26 GLN HB3 5.000 . 5.000 4.207 2.219 4.541 . 0 0 "[ . 1]" 1
207 1 23 GLN HA 1 27 ASN H 4.000 . 4.000 3.742 3.362 4.031 0.031 2 0 "[ . 1]" 1
208 1 23 GLN HB2 1 24 ALA H 4.000 . 4.000 3.756 3.550 3.856 . 0 0 "[ . 1]" 1
209 1 24 ALA H 1 24 ALA HA 2.800 . 2.800 2.824 2.802 2.872 0.072 2 0 "[ . 1]" 1
210 1 24 ALA HA 1 25 ARG H 4.000 . 4.000 3.569 3.556 3.587 . 0 0 "[ . 1]" 1
211 1 24 ALA HA 1 27 ASN H 4.000 . 4.000 3.618 3.344 3.944 . 0 0 "[ . 1]" 1
212 1 24 ALA HA 1 27 ASN HB2 4.000 . 4.000 3.179 2.315 4.018 0.018 7 0 "[ . 1]" 1
213 1 24 ALA HA 1 27 ASN HB3 4.000 . 4.000 3.131 2.340 4.058 0.058 2 0 "[ . 1]" 1
214 1 24 ALA HA 1 28 LEU H 4.000 . 4.000 3.838 3.556 4.039 0.039 7 0 "[ . 1]" 1
215 1 24 ALA MB 1 25 ARG H 5.500 . 5.500 2.450 2.339 2.600 . 0 0 "[ . 1]" 1
216 1 25 ARG H 1 25 ARG HA 2.800 . 2.800 2.840 2.824 2.874 0.074 7 0 "[ . 1]" 1
217 1 25 ARG H 1 25 ARG HB2 2.800 . 2.800 2.431 2.377 2.497 . 0 0 "[ . 1]" 1
218 1 25 ARG H 1 25 ARG HB3 2.800 . 2.800 2.421 2.374 2.450 . 0 0 "[ . 1]" 1
219 1 25 ARG HA 1 25 ARG HB2 2.800 . 2.800 2.457 2.449 2.473 . 0 0 "[ . 1]" 1
220 1 25 ARG HA 1 25 ARG HB3 2.800 . 2.800 3.009 3.006 3.012 0.212 2 0 "[ . 1]" 1
221 1 25 ARG HA 1 25 ARG HG2 4.000 . 4.000 3.136 3.028 3.722 . 0 0 "[ . 1]" 1
222 1 25 ARG HA 1 25 ARG HG3 4.000 . 4.000 2.572 2.499 3.065 . 0 0 "[ . 1]" 1
223 1 25 ARG HA 1 28 LEU H 4.000 . 4.000 3.823 3.732 3.930 . 0 0 "[ . 1]" 1
224 1 25 ARG HB3 1 26 GLN H 5.000 . 5.000 2.427 2.171 2.750 . 0 0 "[ . 1]" 1
225 1 25 ARG HE 1 25 ARG HG2 4.000 . 4.000 3.399 2.408 4.037 0.037 7 0 "[ . 1]" 1
226 1 26 GLN H 1 26 GLN HA 2.800 . 2.800 2.876 2.852 2.903 0.103 3 0 "[ . 1]" 1
227 1 26 GLN H 1 26 GLN HB2 2.800 . 2.800 2.379 2.347 2.490 . 0 0 "[ . 1]" 1
228 1 26 GLN H 1 26 GLN HG2 5.000 . 5.000 2.230 1.936 4.539 . 0 0 "[ . 1]" 1
229 1 26 GLN H 1 26 GLN HG3 5.000 . 5.000 3.498 3.343 4.358 . 0 0 "[ . 1]" 1
230 1 26 GLN H 1 27 ASN H 2.800 . 2.800 2.691 2.558 2.794 . 0 0 "[ . 1]" 1
231 1 26 GLN HA 1 26 GLN HB2 2.800 . 2.800 2.956 2.473 3.013 0.213 9 0 "[ . 1]" 1
232 1 26 GLN HA 1 26 GLN HB3 2.800 . 2.800 2.525 2.461 3.007 0.207 7 0 "[ . 1]" 1
233 1 26 GLN HA 1 26 GLN HG2 4.000 . 4.000 3.081 2.949 3.737 . 0 0 "[ . 1]" 1
234 1 26 GLN HA 1 26 GLN HG3 4.000 . 4.000 3.641 3.022 3.736 . 0 0 "[ . 1]" 1
235 1 26 GLN HA 1 27 ASN H 4.000 . 4.000 3.564 3.557 3.571 . 0 0 "[ . 1]" 1
236 1 26 GLN HA 1 29 GLN H 4.000 . 4.000 3.831 3.625 4.062 0.062 8 0 "[ . 1]" 1
237 1 26 GLN HE22 1 26 GLN HG3 4.000 . 4.000 3.840 3.508 3.992 . 0 0 "[ . 1]" 1
238 1 26 GLN HG2 1 27 ASN H 5.000 . 5.000 4.051 4.006 4.096 . 0 0 "[ . 1]" 1
239 1 26 GLN HG3 1 27 ASN H 5.000 . 5.000 4.472 3.169 4.732 . 0 0 "[ . 1]" 1
240 1 27 ASN H 1 27 ASN HA 2.800 . 2.800 2.816 2.789 2.842 0.042 9 0 "[ . 1]" 1
241 1 27 ASN H 1 27 ASN HB2 4.000 . 4.000 2.380 2.317 2.413 . 0 0 "[ . 1]" 1
242 1 27 ASN H 1 27 ASN HB3 4.000 . 4.000 2.890 2.444 3.526 . 0 0 "[ . 1]" 1
243 1 27 ASN H 1 28 LEU H 4.000 . 4.000 2.778 2.685 2.856 . 0 0 "[ . 1]" 1
244 1 27 ASN HA 1 27 ASN HB2 2.800 . 2.800 2.675 2.447 3.007 0.207 3 0 "[ . 1]" 1
245 1 27 ASN HA 1 27 ASN HB3 2.800 . 2.800 2.805 2.474 3.009 0.209 7 0 "[ . 1]" 1
246 1 27 ASN HA 1 28 LEU H 4.000 . 4.000 3.523 3.466 3.567 . 0 0 "[ . 1]" 1
247 1 27 ASN HA 1 29 GLN H 4.000 . 4.000 3.883 3.641 4.041 0.041 10 0 "[ . 1]" 1
248 1 27 ASN HB2 1 27 ASN HD22 4.000 . 4.000 3.887 3.506 4.001 0.001 9 0 "[ . 1]" 1
249 1 27 ASN HB3 1 27 ASN HD22 4.000 . 4.000 3.700 3.508 4.008 0.008 6 0 "[ . 1]" 1
250 1 28 LEU H 1 28 LEU HA 2.800 . 2.800 2.808 2.785 2.840 0.040 4 0 "[ . 1]" 1
251 1 28 LEU H 1 28 LEU HB2 2.800 . 2.800 2.346 2.217 2.442 . 0 0 "[ . 1]" 1
252 1 28 LEU H 1 28 LEU HB3 2.800 . 2.800 2.513 2.391 2.632 . 0 0 "[ . 1]" 1
253 1 28 LEU H 1 29 GLN H 4.000 . 4.000 2.786 2.692 2.835 . 0 0 "[ . 1]" 1
254 1 28 LEU HA 1 28 LEU HB2 2.800 . 2.800 2.479 2.443 2.551 . 0 0 "[ . 1]" 1
255 1 28 LEU HA 1 28 LEU HB3 2.800 . 2.800 3.008 3.005 3.010 0.210 3 0 "[ . 1]" 1
256 1 28 LEU HA 1 29 GLN H 4.000 . 4.000 3.524 3.488 3.555 . 0 0 "[ . 1]" 1
257 1 28 LEU HA 1 31 LEU H 4.000 . 4.000 3.611 3.051 4.012 0.012 10 0 "[ . 1]" 1
258 1 28 LEU HB2 1 29 GLN H 4.000 . 4.000 3.921 3.770 4.021 0.021 1 0 "[ . 1]" 1
259 1 28 LEU HB3 1 29 GLN H 4.000 . 4.000 2.721 2.530 2.860 . 0 0 "[ . 1]" 1
260 1 29 GLN H 1 29 GLN HA 2.800 . 2.800 2.851 2.811 2.919 0.119 10 0 "[ . 1]" 1
261 1 29 GLN H 1 29 GLN HB2 4.000 . 4.000 2.615 2.345 3.543 . 0 0 "[ . 1]" 1
262 1 29 GLN H 1 29 GLN HB3 4.000 . 4.000 3.294 2.357 3.545 . 0 0 "[ . 1]" 1
263 1 29 GLN H 1 29 GLN HG2 4.000 . 4.000 2.639 1.940 3.425 . 0 0 "[ . 1]" 1
264 1 29 GLN H 1 29 GLN HG3 5.000 . 5.000 2.691 1.930 3.400 . 0 0 "[ . 1]" 1
265 1 29 GLN H 1 30 ASN H 2.800 . 2.800 2.691 2.410 2.802 0.002 3 0 "[ . 1]" 1
266 1 29 GLN HA 1 29 GLN HB2 2.800 . 2.800 2.897 2.458 3.009 0.209 9 0 "[ . 1]" 1
267 1 29 GLN HA 1 29 GLN HB3 2.800 . 2.800 2.481 2.449 2.495 . 0 0 "[ . 1]" 1
268 1 29 GLN HA 1 29 GLN HG2 4.000 . 4.000 2.873 2.444 3.718 . 0 0 "[ . 1]" 1
269 1 29 GLN HA 1 29 GLN HG3 4.000 . 4.000 3.367 2.974 3.735 . 0 0 "[ . 1]" 1
270 1 29 GLN HA 1 30 ASN H 4.000 . 4.000 3.529 3.445 3.581 . 0 0 "[ . 1]" 1
271 1 29 GLN HA 1 32 PHE H 4.000 . 4.000 3.611 3.430 3.918 . 0 0 "[ . 1]" 1
272 1 29 GLN HA 1 32 PHE QB 3.700 . 3.700 3.215 3.095 3.325 . 0 0 "[ . 1]" 1
273 1 29 GLN HE22 1 29 GLN HG2 4.000 . 4.000 3.903 3.512 4.025 0.025 2 0 "[ . 1]" 1
274 1 30 ASN H 1 30 ASN HA 2.800 . 2.800 2.841 2.807 2.899 0.099 8 0 "[ . 1]" 1
275 1 30 ASN H 1 30 ASN HB2 4.000 . 4.000 2.425 2.347 2.470 . 0 0 "[ . 1]" 1
276 1 30 ASN H 1 30 ASN HB3 4.000 . 4.000 2.971 2.383 3.530 . 0 0 "[ . 1]" 1
277 1 30 ASN H 1 31 LEU H 2.800 . 2.800 2.717 2.505 2.818 0.018 7 0 "[ . 1]" 1
278 1 30 ASN HA 1 30 ASN HB2 2.800 . 2.800 2.731 2.447 3.009 0.209 9 0 "[ . 1]" 1
279 1 30 ASN HA 1 30 ASN HB3 2.800 . 2.800 2.741 2.465 3.010 0.210 10 0 "[ . 1]" 1
280 1 30 ASN HA 1 31 LEU H 4.000 . 4.000 3.547 3.526 3.577 . 0 0 "[ . 1]" 1
281 1 30 ASN HA 1 32 PHE H 4.000 . 4.000 4.012 3.921 4.043 0.043 5 0 "[ . 1]" 1
282 1 30 ASN HA 1 33 ILE H 4.000 . 4.000 3.495 3.185 3.636 . 0 0 "[ . 1]" 1
283 1 30 ASN HA 1 33 ILE HB 4.000 . 4.000 3.545 2.727 4.033 0.033 3 0 "[ . 1]" 1
284 1 30 ASN HA 1 34 ASN H 4.000 . 4.000 3.737 3.272 4.012 0.012 6 0 "[ . 1]" 1
285 1 30 ASN HB2 1 30 ASN HD22 4.000 . 4.000 3.937 3.515 4.002 0.002 7 0 "[ . 1]" 1
286 1 30 ASN HB2 1 31 LEU H 4.000 . 4.000 3.238 2.538 3.958 . 0 0 "[ . 1]" 1
287 1 30 ASN HB3 1 31 LEU H 4.000 . 4.000 3.118 2.323 3.784 . 0 0 "[ . 1]" 1
288 1 31 LEU H 1 31 LEU HA 2.800 . 2.800 2.819 2.798 2.847 0.047 1 0 "[ . 1]" 1
289 1 31 LEU H 1 31 LEU HB2 4.000 . 4.000 2.401 2.382 2.443 . 0 0 "[ . 1]" 1
290 1 31 LEU H 1 31 LEU HB3 4.000 . 4.000 2.450 2.406 2.496 . 0 0 "[ . 1]" 1
291 1 31 LEU H 1 32 PHE H 2.800 . 2.800 2.748 2.649 2.815 0.015 6 0 "[ . 1]" 1
292 1 31 LEU HA 1 31 LEU HB2 2.800 . 2.800 2.457 2.451 2.465 . 0 0 "[ . 1]" 1
293 1 31 LEU HA 1 31 LEU HB3 2.800 . 2.800 3.008 3.007 3.010 0.210 8 0 "[ . 1]" 1
294 1 31 LEU HA 1 32 PHE H 4.000 . 4.000 3.523 3.507 3.532 . 0 0 "[ . 1]" 1
295 1 31 LEU HA 1 34 ASN HB2 4.000 . 4.000 3.656 3.055 4.016 0.016 9 0 "[ . 1]" 1
296 1 31 LEU HA 1 34 ASN HB3 4.000 . 4.000 2.625 2.029 2.948 . 0 0 "[ . 1]" 1
297 1 31 LEU HA 1 35 PHE H 4.000 . 4.000 3.814 3.459 4.014 0.014 7 0 "[ . 1]" 1
298 1 31 LEU QD 1 32 PHE H 6.100 . 6.100 3.993 3.970 4.043 . 0 0 "[ . 1]" 1
299 1 31 LEU HG 1 32 PHE H 4.000 . 4.000 3.860 3.829 3.931 . 0 0 "[ . 1]" 1
300 1 32 PHE H 1 32 PHE HA 2.800 . 2.800 2.877 2.834 2.902 0.102 9 0 "[ . 1]" 1
301 1 32 PHE H 1 32 PHE QB 3.700 . 3.700 2.191 2.157 2.281 . 0 0 "[ . 1]" 1
302 1 32 PHE H 1 33 ILE H 4.000 . 4.000 2.721 2.418 2.964 . 0 0 "[ . 1]" 1
303 1 32 PHE HA 1 33 ILE H 4.000 . 4.000 3.576 3.531 3.588 . 0 0 "[ . 1]" 1
304 1 32 PHE HA 1 35 PHE H 4.000 . 4.000 3.881 3.671 4.041 0.041 6 0 "[ . 1]" 1
305 1 32 PHE HA 1 35 PHE QB 3.700 . 3.700 3.109 2.820 3.311 . 0 0 "[ . 1]" 1
306 1 32 PHE HA 1 35 PHE QD 7.500 . 7.500 4.380 4.005 5.151 . 0 0 "[ . 1]" 1
307 1 32 PHE QB 1 33 ILE H 4.900 . 4.900 2.244 1.995 2.683 . 0 0 "[ . 1]" 1
308 1 33 ILE H 1 33 ILE HB 2.800 . 2.800 2.354 2.282 2.431 . 0 0 "[ . 1]" 1
309 1 33 ILE H 1 34 ASN H 4.000 . 4.000 2.663 2.507 2.850 . 0 0 "[ . 1]" 1
310 1 33 ILE HA 1 33 ILE HB 2.800 . 2.800 2.750 2.475 3.010 0.210 4 0 "[ . 1]" 1
311 1 33 ILE HA 1 36 CYS HB2 4.000 . 4.000 3.371 2.359 4.012 0.012 6 0 "[ . 1]" 1
312 1 33 ILE HA 1 36 CYS HB3 4.000 . 4.000 3.002 2.046 4.029 0.029 4 0 "[ . 1]" 1
313 1 34 ASN H 1 34 ASN HA 2.800 . 2.800 2.849 2.813 2.892 0.092 7 0 "[ . 1]" 1
314 1 34 ASN H 1 34 ASN HB2 4.000 . 4.000 2.427 2.344 2.502 . 0 0 "[ . 1]" 1
315 1 34 ASN H 1 34 ASN HB3 2.800 . 2.800 2.441 2.380 2.515 . 0 0 "[ . 1]" 1
316 1 34 ASN H 1 35 PHE H 2.800 . 2.800 2.791 2.724 2.838 0.038 1 0 "[ . 1]" 1
317 1 34 ASN HA 1 35 PHE H 4.000 . 4.000 3.575 3.550 3.588 . 0 0 "[ . 1]" 1
318 1 34 ASN HA 1 37 LEU H 4.000 . 4.000 3.466 3.100 3.747 . 0 0 "[ . 1]" 1
319 1 34 ASN HA 1 38 ILE H 4.000 . 4.000 3.932 3.553 4.059 0.059 10 0 "[ . 1]" 1
320 1 34 ASN HB2 1 34 ASN HD22 4.000 . 4.000 3.792 3.512 3.983 . 0 0 "[ . 1]" 1
321 1 34 ASN HB2 1 35 PHE H 4.000 . 4.000 3.745 3.583 3.885 . 0 0 "[ . 1]" 1
322 1 34 ASN HB3 1 34 ASN HD22 4.000 . 4.000 3.798 3.507 4.015 0.015 1 0 "[ . 1]" 1
323 1 34 ASN HB3 1 35 PHE H 4.000 . 4.000 2.348 2.055 2.633 . 0 0 "[ . 1]" 1
324 1 35 PHE H 1 35 PHE HA 2.800 . 2.800 2.844 2.795 2.926 0.126 10 0 "[ . 1]" 1
325 1 35 PHE H 1 36 CYS H 2.800 . 2.800 2.713 2.340 2.827 0.027 9 0 "[ . 1]" 1
326 1 35 PHE HA 1 38 ILE H 4.000 . 4.000 3.679 3.450 4.016 0.016 2 0 "[ . 1]" 1
327 1 35 PHE HA 1 38 ILE HB 4.000 . 4.000 3.820 2.701 4.065 0.065 1 0 "[ . 1]" 1
328 1 35 PHE HA 1 39 LEU H 4.000 . 4.000 3.954 3.751 4.034 0.034 3 0 "[ . 1]" 1
329 1 35 PHE QB 1 36 CYS H 4.900 2.100 4.900 2.617 2.284 2.962 . 0 0 "[ . 1]" 1
330 1 36 CYS H 1 36 CYS HA 2.800 . 2.800 2.890 2.837 2.951 0.151 8 0 "[ . 1]" 1
331 1 36 CYS H 1 36 CYS HB3 4.000 . 4.000 2.622 2.362 3.576 . 0 0 "[ . 1]" 1
332 1 36 CYS HA 1 38 ILE H 5.000 . 5.000 4.756 4.219 4.989 . 0 0 "[ . 1]" 1
333 1 36 CYS HA 1 39 LEU H 4.000 . 4.000 3.870 3.483 4.058 0.058 6 0 "[ . 1]" 1
334 1 36 CYS HA 1 39 LEU QB 4.900 . 4.900 2.904 2.168 3.555 . 0 0 "[ . 1]" 1
335 1 37 LEU H 1 37 LEU HA 2.800 . 2.800 2.919 2.856 2.974 0.174 8 0 "[ . 1]" 1
336 1 37 LEU H 1 37 LEU QB 3.700 . 3.700 2.236 2.128 2.360 . 0 0 "[ . 1]" 1
337 1 37 LEU H 1 38 ILE H 2.800 . 2.800 2.450 1.989 2.803 0.003 1 0 "[ . 1]" 1
338 1 37 LEU H 1 39 LEU H 4.000 . 4.000 3.757 3.419 4.018 0.018 7 0 "[ . 1]" 1
339 1 37 LEU HA 1 37 LEU MD1 4.300 . 4.300 3.023 1.939 3.733 . 0 0 "[ . 1]" 1
340 1 37 LEU HA 1 37 LEU MD2 4.300 . 4.300 2.825 1.884 3.749 . 0 0 "[ . 1]" 1
341 1 37 LEU HA 1 37 LEU HG 4.000 . 4.000 2.980 2.390 3.706 . 0 0 "[ . 1]" 1
342 1 37 LEU HA 1 38 ILE H 4.000 . 4.000 3.555 3.425 3.591 . 0 0 "[ . 1]" 1
343 1 37 LEU HA 1 41 PHE H 4.000 . 4.000 3.937 3.565 4.133 0.133 8 0 "[ . 1]" 1
344 1 37 LEU HG 1 38 ILE H 5.000 . 5.000 4.282 3.435 4.993 . 0 0 "[ . 1]" 1
345 1 38 ILE H 1 38 ILE HB 2.800 . 2.800 2.407 2.259 2.475 . 0 0 "[ . 1]" 1
346 1 38 ILE H 1 38 ILE MD 5.500 . 5.500 3.639 1.849 4.193 . 0 0 "[ . 1]" 1
347 1 38 ILE H 1 38 ILE QG 4.900 . 4.900 3.566 1.990 4.000 . 0 0 "[ . 1]" 1
348 1 38 ILE H 1 39 LEU H 2.800 . 2.800 2.554 1.953 2.802 0.002 10 0 "[ . 1]" 1
349 1 38 ILE HA 1 38 ILE HB 2.800 . 2.800 2.645 2.476 3.008 0.208 8 0 "[ . 1]" 1
350 1 38 ILE HA 1 39 LEU H 4.000 . 4.000 3.506 3.440 3.572 . 0 0 "[ . 1]" 1
351 1 38 ILE HA 1 41 PHE H 4.000 . 4.000 3.590 3.152 4.054 0.054 8 0 "[ . 1]" 1
352 1 38 ILE HA 1 41 PHE QB 4.900 . 4.900 2.708 2.093 3.668 . 0 0 "[ . 1]" 1
353 1 38 ILE HA 1 42 LEU H 4.000 . 4.000 3.716 3.263 4.006 0.006 7 0 "[ . 1]" 1
354 1 38 ILE HB 1 39 LEU H 4.000 . 4.000 3.621 2.539 4.101 0.101 9 0 "[ . 1]" 1
355 1 38 ILE QG 1 39 LEU H 4.900 . 4.900 3.962 3.576 4.419 . 0 0 "[ . 1]" 1
356 1 38 ILE MG 1 39 LEU H 5.500 . 5.500 2.544 1.862 3.799 . 0 0 "[ . 1]" 1
357 1 39 LEU H 1 39 LEU HA 2.800 . 2.800 2.853 2.793 2.905 0.105 7 0 "[ . 1]" 1
358 1 39 LEU H 1 39 LEU HG 4.000 . 4.000 3.727 2.019 4.244 0.244 5 0 "[ . 1]" 1
359 1 39 LEU H 1 40 ILE H 4.000 . 4.000 2.677 2.500 2.854 . 0 0 "[ . 1]" 1
360 1 39 LEU HA 1 39 LEU HG 4.000 . 4.000 3.005 2.355 3.667 . 0 0 "[ . 1]" 1
361 1 39 LEU HG 1 40 ILE H 5.000 . 5.000 4.006 2.862 4.770 . 0 0 "[ . 1]" 1
362 1 40 ILE H 1 40 ILE HA 2.800 . 2.800 2.940 2.843 2.978 0.178 9 0 "[ . 1]" 1
363 1 40 ILE H 1 40 ILE HB 4.000 . 4.000 3.156 2.296 3.925 . 0 0 "[ . 1]" 1
364 1 40 ILE H 1 41 PHE H 2.800 . 2.800 2.153 1.882 2.760 . 0 0 "[ . 1]" 1
365 1 40 ILE HA 1 40 ILE HB 2.800 . 2.800 2.680 2.437 3.005 0.205 10 0 "[ . 1]" 1
366 1 40 ILE HA 1 43 LEU H 4.000 . 4.000 3.619 3.119 4.057 0.057 1 0 "[ . 1]" 1
367 1 40 ILE HB 1 41 PHE H 4.000 . 4.000 3.372 2.442 4.028 0.028 8 0 "[ . 1]" 1
368 1 40 ILE MG 1 41 PHE H 6.500 . 6.500 3.527 1.965 3.925 . 0 0 "[ . 1]" 1
369 1 41 PHE H 1 41 PHE HA 2.800 . 2.800 2.836 2.787 2.914 0.114 1 0 "[ . 1]" 1
370 1 41 PHE H 1 41 PHE QB 3.700 . 3.700 2.190 2.159 2.268 . 0 0 "[ . 1]" 1
371 1 41 PHE H 1 42 LEU H 2.800 . 2.800 2.753 2.453 2.876 0.076 10 0 "[ . 1]" 1
372 1 41 PHE HA 1 42 LEU H 4.000 . 4.000 3.525 3.452 3.579 . 0 0 "[ . 1]" 1
373 1 41 PHE HA 1 44 LEU H 4.000 . 4.000 3.351 2.923 3.972 . 0 0 "[ . 1]" 1
374 1 41 PHE HA 1 44 LEU QB 4.900 . 4.900 2.669 2.105 3.196 . 0 0 "[ . 1]" 1
375 1 41 PHE HA 1 45 ILE H 4.000 . 4.000 3.965 3.809 4.026 0.026 9 0 "[ . 1]" 1
376 1 41 PHE QB 1 42 LEU H 5.900 . 5.900 2.706 2.304 3.070 . 0 0 "[ . 1]" 1
377 1 42 LEU H 1 42 LEU HA 2.800 . 2.800 2.851 2.807 2.949 0.149 8 0 "[ . 1]" 1
378 1 42 LEU H 1 42 LEU HG 4.000 . 4.000 2.743 1.913 4.194 0.194 4 0 "[ . 1]" 1
379 1 42 LEU H 1 43 LEU H 2.800 . 2.800 2.701 2.253 2.822 0.022 7 0 "[ . 1]" 1
380 1 42 LEU HA 1 42 LEU HG 4.000 . 4.000 3.280 2.348 3.692 . 0 0 "[ . 1]" 1
381 1 42 LEU HA 1 43 LEU H 4.000 . 4.000 3.508 3.446 3.583 . 0 0 "[ . 1]" 1
382 1 42 LEU HA 1 45 ILE H 4.000 . 4.000 3.966 3.729 4.046 0.046 3 0 "[ . 1]" 1
383 1 42 LEU QB 1 43 LEU H 4.900 . 4.900 3.017 2.104 3.699 . 0 0 "[ . 1]" 1
384 1 43 LEU H 1 43 LEU HA 2.800 . 2.800 2.913 2.831 2.950 0.150 5 0 "[ . 1]" 1
385 1 43 LEU HA 1 44 LEU H 4.000 . 4.000 3.542 3.436 3.598 . 0 0 "[ . 1]" 1
386 1 43 LEU HA 1 46 CYS H 4.000 . 4.000 3.691 3.138 3.935 . 0 0 "[ . 1]" 1
387 1 43 LEU HA 1 46 CYS HB2 4.000 . 4.000 3.366 2.612 3.846 . 0 0 "[ . 1]" 1
388 1 43 LEU HA 1 46 CYS HB3 4.000 . 4.000 3.490 2.835 4.066 0.066 9 0 "[ . 1]" 1
389 1 44 LEU H 1 44 LEU HA 2.800 . 2.800 2.860 2.807 2.914 0.114 4 0 "[ . 1]" 1
390 1 44 LEU H 1 44 LEU QB 3.700 . 3.700 2.203 2.048 2.367 . 0 0 "[ . 1]" 1
391 1 44 LEU H 1 44 LEU HG 4.000 . 4.000 3.408 1.932 4.369 0.369 7 0 "[ . 1]" 1
392 1 44 LEU HA 1 44 LEU HG 4.000 . 4.000 3.144 2.343 3.645 . 0 0 "[ . 1]" 1
393 1 44 LEU HA 1 45 ILE H 4.000 . 4.000 3.579 3.555 3.596 . 0 0 "[ . 1]" 1
394 1 44 LEU HA 1 47 ILE H 4.000 . 4.000 3.639 3.197 4.017 0.017 3 0 "[ . 1]" 1
395 1 44 LEU QB 1 45 ILE H 4.900 . 4.900 2.398 2.132 2.553 . 0 0 "[ . 1]" 1
396 1 44 LEU HG 1 45 ILE H 5.000 . 5.000 4.450 3.025 5.012 0.012 2 0 "[ . 1]" 1
397 1 45 ILE H 1 45 ILE HA 2.800 . 2.800 2.838 2.811 2.890 0.090 3 0 "[ . 1]" 1
398 1 45 ILE H 1 45 ILE HB 4.000 . 4.000 3.272 2.196 3.556 . 0 0 "[ . 1]" 1
399 1 45 ILE H 1 45 ILE HG12 5.000 . 5.000 2.361 1.916 4.274 . 0 0 "[ . 1]" 1
400 1 45 ILE H 1 45 ILE HG13 5.000 . 5.000 3.384 3.154 4.497 . 0 0 "[ . 1]" 1
401 1 45 ILE H 1 46 CYS H 2.800 . 2.800 2.731 2.538 2.803 0.003 4 0 "[ . 1]" 1
402 1 45 ILE HA 1 45 ILE HB 2.800 . 2.800 2.533 2.459 2.993 0.193 10 0 "[ . 1]" 1
403 1 45 ILE HA 1 45 ILE HG12 4.000 . 4.000 3.574 2.429 3.734 . 0 0 "[ . 1]" 1
404 1 45 ILE HA 1 46 CYS H 4.000 . 4.000 3.485 3.354 3.519 . 0 0 "[ . 1]" 1
405 1 45 ILE HA 1 49 VAL H 5.000 . 5.000 4.391 3.690 4.869 . 0 0 "[ . 1]" 1
406 1 45 ILE HB 1 46 CYS H 4.000 . 4.000 3.911 3.533 3.990 . 0 0 "[ . 1]" 1
407 1 45 ILE MG 1 46 CYS H 5.500 . 5.500 3.735 2.103 3.972 . 0 0 "[ . 1]" 1
408 1 46 CYS H 1 46 CYS HA 2.800 . 2.800 2.880 2.819 2.943 0.143 10 0 "[ . 1]" 1
409 1 46 CYS H 1 46 CYS HB2 4.000 . 4.000 2.472 2.183 2.735 . 0 0 "[ . 1]" 1
410 1 46 CYS H 1 46 CYS HB3 4.000 . 4.000 2.608 2.346 3.526 . 0 0 "[ . 1]" 1
411 1 46 CYS H 1 47 ILE H 2.800 . 2.800 2.600 2.265 2.806 0.006 7 0 "[ . 1]" 1
412 1 46 CYS HA 1 46 CYS HB2 2.800 . 2.800 2.559 2.430 3.005 0.205 3 0 "[ . 1]" 1
413 1 46 CYS HA 1 46 CYS HB3 2.800 . 2.800 2.910 2.493 3.007 0.207 4 0 "[ . 1]" 1
414 1 46 CYS HA 1 47 ILE H 4.000 . 4.000 3.521 3.435 3.591 . 0 0 "[ . 1]" 1
415 1 46 CYS HA 1 49 VAL H 4.000 . 4.000 3.446 3.154 3.896 . 0 0 "[ . 1]" 1
416 1 46 CYS HA 1 49 VAL HB 4.000 . 4.000 3.163 2.288 4.205 0.205 8 0 "[ . 1]" 1
417 1 46 CYS HA 1 50 MET H 4.000 . 4.000 3.887 3.093 4.047 0.047 4 0 "[ . 1]" 1
418 1 46 CYS HB2 1 47 ILE H 4.000 . 4.000 3.708 2.407 4.122 0.122 8 0 "[ . 1]" 1
419 1 47 ILE H 1 47 ILE HA 2.800 . 2.800 2.864 2.807 2.949 0.149 6 0 "[ . 1]" 1
420 1 47 ILE H 1 47 ILE HB 4.000 . 4.000 2.692 2.221 3.624 . 0 0 "[ . 1]" 1
421 1 47 ILE H 1 47 ILE QG 3.700 . 3.700 2.327 1.874 3.302 . 0 0 "[ . 1]" 1
422 1 47 ILE H 1 47 ILE MG 4.300 . 4.300 3.203 1.905 3.680 . 0 0 "[ . 1]" 1
423 1 47 ILE HA 1 47 ILE QG 3.700 . 3.700 2.750 2.357 3.308 . 0 0 "[ . 1]" 1
424 1 47 ILE HA 1 50 MET H 4.000 . 4.000 3.904 3.369 4.030 0.030 6 0 "[ . 1]" 1
425 1 48 ILE H 1 48 ILE HA 2.800 . 2.800 2.927 2.846 2.976 0.176 6 0 "[ . 1]" 1
426 1 48 ILE H 1 48 ILE HB 4.000 . 4.000 3.137 2.331 3.717 . 0 0 "[ . 1]" 1
427 1 48 ILE H 1 48 ILE QG 4.900 . 4.900 2.381 1.851 4.025 . 0 0 "[ . 1]" 1
428 1 48 ILE H 1 50 MET H 4.000 . 4.000 3.863 3.397 4.066 0.066 3 0 "[ . 1]" 1
429 1 48 ILE HA 1 48 ILE HB 2.800 . 2.800 2.574 2.441 3.004 0.204 4 0 "[ . 1]" 1
430 1 48 ILE HA 1 48 ILE QG 3.700 . 3.700 2.989 2.363 3.311 . 0 0 "[ . 1]" 1
431 1 48 ILE HA 1 49 VAL H 4.000 . 4.000 3.533 3.494 3.559 . 0 0 "[ . 1]" 1
432 1 48 ILE HA 1 51 LEU H 4.000 . 4.000 3.760 3.360 4.035 0.035 6 0 "[ . 1]" 1
433 1 48 ILE HB 1 49 VAL H 4.000 . 4.000 3.631 2.524 3.976 . 0 0 "[ . 1]" 1
434 1 49 VAL H 1 49 VAL HB 4.000 . 4.000 2.509 2.348 3.549 . 0 0 "[ . 1]" 1
435 1 49 VAL H 1 50 MET H 4.000 . 4.000 2.507 2.294 2.734 . 0 0 "[ . 1]" 1
436 1 49 VAL HA 1 50 MET H 4.000 . 4.000 3.536 3.434 3.580 . 0 0 "[ . 1]" 1
437 1 49 VAL HA 1 51 LEU H 4.000 . 4.000 3.794 3.607 3.955 . 0 0 "[ . 1]" 1
438 1 49 VAL HA 1 52 LEU H 4.000 . 4.000 3.612 3.203 4.017 0.017 8 0 "[ . 1]" 1
439 1 49 VAL HB 1 50 MET H 4.000 . 4.000 3.089 2.547 3.954 . 0 0 "[ . 1]" 1
440 1 49 VAL MG1 1 50 MET H 6.500 . 6.500 3.283 1.839 3.872 . 0 0 "[ . 1]" 1
441 1 49 VAL MG2 1 50 MET H 6.500 . 6.500 3.644 1.973 4.072 . 0 0 "[ . 1]" 1
442 1 50 MET H 1 50 MET HA 2.800 . 2.800 2.869 2.820 2.916 0.116 1 0 "[ . 1]" 1
443 1 50 MET H 1 50 MET HB2 4.000 . 4.000 2.488 2.304 3.535 . 0 0 "[ . 1]" 1
444 1 50 MET H 1 50 MET HB3 4.000 . 4.000 3.181 2.229 3.544 . 0 0 "[ . 1]" 1
445 1 50 MET H 1 50 MET HG2 5.000 . 5.000 2.674 1.952 4.500 . 0 0 "[ . 1]" 1
446 1 50 MET H 1 50 MET HG3 4.000 . 4.000 3.455 1.941 4.269 0.269 3 0 "[ . 1]" 1
447 1 50 MET H 1 51 LEU H 2.800 . 2.800 2.619 2.436 2.736 . 0 0 "[ . 1]" 1
448 1 50 MET HA 1 50 MET HB2 2.800 . 2.800 2.839 2.410 3.008 0.208 9 0 "[ . 1]" 1
449 1 50 MET HA 1 50 MET HB3 2.800 . 2.800 2.591 2.476 3.007 0.207 3 0 "[ . 1]" 1
450 1 50 MET HA 1 50 MET HG2 4.000 . 4.000 3.077 2.488 3.752 . 0 0 "[ . 1]" 1
451 1 51 LEU H 1 51 LEU HG 4.000 . 4.000 2.557 1.886 3.847 . 0 0 "[ . 1]" 1
452 1 51 LEU H 1 52 LEU H 2.800 . 2.800 2.289 2.019 2.596 . 0 0 "[ . 1]" 1
453 1 51 LEU HA 1 51 LEU HG 4.000 . 4.000 3.040 2.392 3.686 . 0 0 "[ . 1]" 1
454 1 52 LEU H 1 52 LEU QB 3.700 . 3.700 2.380 2.216 2.503 . 0 0 "[ . 1]" 1
455 1 52 LEU H 1 52 LEU HG 4.000 . 4.000 2.825 2.318 4.177 0.177 6 0 "[ . 1]" 1
456 1 52 LEU HA 1 52 LEU HG 4.000 . 4.000 2.993 2.396 3.145 . 0 0 "[ . 1]" 1
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