NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
424305 |
2fry   |
7036 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2fry
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 510
_Distance_constraint_stats_list.Viol_count 650
_Distance_constraint_stats_list.Viol_total 467.143
_Distance_constraint_stats_list.Viol_max 0.309
_Distance_constraint_stats_list.Viol_rms 0.0314
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0092
_Distance_constraint_stats_list.Viol_average_violations_only 0.0719
_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 2 SER 0.000 0.000 . 0 "[ . 1]"
1 3 HIS 0.824 0.105 8 0 "[ . 1]"
1 4 VAL 3.082 0.137 4 0 "[ . 1]"
1 5 VAL 3.337 0.210 4 0 "[ . 1]"
1 6 GLN 2.519 0.210 4 0 "[ . 1]"
1 7 THR 4.013 0.216 5 0 "[ . 1]"
1 8 LEU 3.647 0.234 10 0 "[ . 1]"
1 9 TYR 0.151 0.055 4 0 "[ . 1]"
1 10 PRO 0.000 0.000 . 0 "[ . 1]"
1 11 PHE 0.000 0.000 . 0 "[ . 1]"
1 12 SER 0.151 0.096 8 0 "[ . 1]"
1 13 SER 0.726 0.105 4 0 "[ . 1]"
1 14 VAL 0.236 0.086 5 0 "[ . 1]"
1 15 THR 0.254 0.185 1 0 "[ . 1]"
1 16 GLU 0.259 0.046 3 0 "[ . 1]"
1 17 GLU 0.237 0.053 1 0 "[ . 1]"
1 18 GLU 1.495 0.184 7 0 "[ . 1]"
1 19 LEU 1.865 0.178 9 0 "[ . 1]"
1 20 ASN 0.256 0.105 4 0 "[ . 1]"
1 21 PHE 1.238 0.156 1 0 "[ . 1]"
1 22 GLU 0.880 0.174 7 0 "[ . 1]"
1 23 LYS 2.467 0.174 7 0 "[ . 1]"
1 24 GLY 0.077 0.034 3 0 "[ . 1]"
1 25 GLU 4.067 0.234 6 0 "[ . 1]"
1 26 THR 3.624 0.210 4 0 "[ . 1]"
1 27 MET 1.150 0.210 4 0 "[ . 1]"
1 28 GLU 2.953 0.182 7 0 "[ . 1]"
1 29 VAL 0.732 0.104 4 0 "[ . 1]"
1 30 ILE 1.655 0.214 8 0 "[ . 1]"
1 31 GLU 0.183 0.032 3 0 "[ . 1]"
1 32 LYS 1.025 0.138 3 0 "[ . 1]"
1 33 PRO 0.318 0.123 10 0 "[ . 1]"
1 34 GLU 0.532 0.123 10 0 "[ . 1]"
1 35 ASN 0.000 0.000 . 0 "[ . 1]"
1 36 ASP 0.083 0.035 9 0 "[ . 1]"
1 38 GLU 0.642 0.123 3 0 "[ . 1]"
1 39 TRP 0.263 0.086 4 0 "[ . 1]"
1 40 TRP 1.165 0.221 9 0 "[ . 1]"
1 41 LYS 6.500 0.214 8 0 "[ . 1]"
1 42 CYS 2.637 0.179 9 0 "[ . 1]"
1 43 LYS 1.042 0.129 8 0 "[ . 1]"
1 44 ASN 3.334 0.243 9 0 "[ . 1]"
1 45 ALA 1.872 0.198 7 0 "[ . 1]"
1 46 ARG 2.469 0.190 4 0 "[ . 1]"
1 47 GLY 0.000 0.000 . 0 "[ . 1]"
1 48 GLN 0.666 0.243 9 0 "[ . 1]"
1 49 VAL 0.000 0.000 . 0 "[ . 1]"
1 50 GLY 1.350 0.134 5 0 "[ . 1]"
1 51 LEU 3.868 0.184 7 0 "[ . 1]"
1 52 VAL 0.423 0.134 5 0 "[ . 1]"
1 53 PRO 0.749 0.221 9 0 "[ . 1]"
1 54 LYS 2.424 0.309 10 0 "[ . 1]"
1 55 ASN 0.825 0.121 6 0 "[ . 1]"
1 56 TYR 0.580 0.063 1 0 "[ . 1]"
1 57 VAL 2.604 0.234 10 0 "[ . 1]"
1 58 VAL 0.115 0.065 1 0 "[ . 1]"
1 59 VAL 0.163 0.095 5 0 "[ . 1]"
1 60 LEU 4.347 0.229 9 0 "[ . 1]"
1 61 SER 2.699 0.229 9 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 SER HA 1 3 HIS H 5.000 . 5.000 2.194 2.150 2.254 . 0 0 "[ . 1]" 1
2 1 2 SER HB3 1 4 VAL MG1 5.000 . 5.000 4.016 3.936 4.098 . 0 0 "[ . 1]" 1
3 1 2 SER HB3 1 4 VAL MG2 5.000 . 5.000 2.745 2.349 2.958 . 0 0 "[ . 1]" 1
4 1 3 HIS H 1 4 VAL H 5.000 . 5.000 4.451 4.355 4.519 . 0 0 "[ . 1]" 1
5 1 3 HIS HB2 1 4 VAL H 3.800 . 3.800 3.587 3.337 3.858 0.058 6 0 "[ . 1]" 1
6 1 3 HIS HB3 1 4 VAL H 3.800 . 3.800 3.853 3.612 3.905 0.105 8 0 "[ . 1]" 1
7 1 4 VAL H 1 4 VAL HB 3.200 . 3.200 3.233 3.165 3.297 0.097 9 0 "[ . 1]" 1
8 1 4 VAL H 1 4 VAL MG2 3.800 . 3.800 2.141 2.046 2.236 . 0 0 "[ . 1]" 1
9 1 4 VAL H 1 5 VAL H 5.000 . 5.000 4.455 4.445 4.470 . 0 0 "[ . 1]" 1
10 1 4 VAL H 1 60 LEU H 5.000 . 5.000 4.298 4.164 4.554 . 0 0 "[ . 1]" 1
11 1 4 VAL H 1 60 LEU HA 5.000 . 5.000 5.091 5.069 5.131 0.131 1 0 "[ . 1]" 1
12 1 4 VAL H 1 61 SER H 3.800 . 4.200 4.216 3.976 4.307 0.107 8 0 "[ . 1]" 1
13 1 4 VAL HA 1 5 VAL H 3.200 . 3.200 2.427 2.410 2.445 . 0 0 "[ . 1]" 1
14 1 4 VAL HA 1 28 GLU HA 3.200 . 3.200 2.247 2.039 2.348 . 0 0 "[ . 1]" 1
15 1 4 VAL HB 1 61 SER H 5.000 . 5.000 5.010 4.805 5.137 0.137 4 0 "[ . 1]" 1
16 1 4 VAL MG1 1 5 VAL H 3.800 . 3.800 2.095 1.970 2.203 . 0 0 "[ . 1]" 1
17 1 4 VAL MG1 1 27 MET H 5.000 . 5.000 3.909 3.705 4.033 . 0 0 "[ . 1]" 1
18 1 4 VAL MG1 1 28 GLU HA 5.000 . 5.000 2.414 2.240 2.641 . 0 0 "[ . 1]" 1
19 1 4 VAL MG2 1 28 GLU HA 5.300 . 5.300 4.496 4.411 4.551 . 0 0 "[ . 1]" 1
20 1 5 VAL H 1 5 VAL MG1 3.800 . 3.800 1.910 1.877 1.950 . 0 0 "[ . 1]" 1
21 1 5 VAL H 1 28 GLU HB2 5.000 . 5.000 4.852 4.470 5.082 0.082 1 0 "[ . 1]" 1
22 1 5 VAL HA 1 6 GLN H 3.200 . 3.200 2.306 2.189 2.350 . 0 0 "[ . 1]" 1
23 1 5 VAL HA 1 6 GLN HB2 5.000 . 5.000 3.935 3.846 4.148 . 0 0 "[ . 1]" 1
24 1 5 VAL HA 1 59 VAL HA 3.200 . 3.200 2.164 1.848 2.388 . 0 0 "[ . 1]" 1
25 1 5 VAL HA 1 59 VAL MG1 5.000 . 5.000 2.576 2.336 2.956 . 0 0 "[ . 1]" 1
26 1 5 VAL HA 1 59 VAL MG2 5.000 . 5.000 4.035 3.707 4.157 . 0 0 "[ . 1]" 1
27 1 5 VAL HA 1 60 LEU HB3 3.800 . 3.800 3.525 3.010 3.786 . 0 0 "[ . 1]" 1
28 1 5 VAL HA 1 60 LEU MD2 5.000 . 5.000 3.685 3.423 3.863 . 0 0 "[ . 1]" 1
29 1 5 VAL HA 1 60 LEU HG 5.000 . 5.000 5.043 5.001 5.110 0.110 4 0 "[ . 1]" 1
30 1 5 VAL HB 1 6 GLN H 3.200 . 3.200 3.330 3.288 3.410 0.210 4 0 "[ . 1]" 1
31 1 5 VAL HB 1 28 GLU H 6.400 . 6.400 6.322 5.924 6.508 0.108 6 0 "[ . 1]" 1
32 1 5 VAL HB 1 28 GLU HA 4.100 . 4.500 4.593 4.318 4.682 0.182 7 0 "[ . 1]" 1
33 1 5 VAL HB 1 29 VAL MG2 5.000 . 5.000 2.976 2.482 3.276 . 0 0 "[ . 1]" 1
34 1 5 VAL HB 1 59 VAL HA 5.000 . 5.000 2.336 2.004 2.765 . 0 0 "[ . 1]" 1
35 1 5 VAL MG1 1 6 GLN H 5.000 . 5.000 4.061 3.867 4.170 . 0 0 "[ . 1]" 1
36 1 5 VAL MG1 1 27 MET H 5.000 . 5.000 3.574 3.344 3.724 . 0 0 "[ . 1]" 1
37 1 5 VAL MG1 1 28 GLU H 5.000 . 5.000 3.292 2.960 3.487 . 0 0 "[ . 1]" 1
38 1 5 VAL MG1 1 28 GLU HA 5.000 . 5.000 1.896 1.823 1.957 . 0 0 "[ . 1]" 1
39 1 5 VAL MG1 1 28 GLU HB2 5.000 . 5.000 4.156 4.033 4.267 . 0 0 "[ . 1]" 1
40 1 5 VAL MG1 1 28 GLU HB3 5.000 . 5.000 3.952 3.781 4.013 . 0 0 "[ . 1]" 1
41 1 5 VAL MG1 1 29 VAL HA 5.000 . 5.000 3.226 3.061 3.328 . 0 0 "[ . 1]" 1
42 1 5 VAL MG1 1 59 VAL HA 5.000 . 5.000 3.939 3.700 4.272 . 0 0 "[ . 1]" 1
43 1 5 VAL MG1 1 59 VAL MG1 5.000 . 5.000 3.255 3.097 3.321 . 0 0 "[ . 1]" 1
44 1 5 VAL MG2 1 28 GLU H 6.000 . 6.000 4.859 4.736 4.966 . 0 0 "[ . 1]" 1
45 1 5 VAL MG2 1 29 VAL HB 5.000 . 5.000 4.120 4.081 4.172 . 0 0 "[ . 1]" 1
46 1 5 VAL MG2 1 29 VAL MG1 6.800 . 6.800 4.627 4.570 4.668 . 0 0 "[ . 1]" 1
47 1 5 VAL MG2 1 40 TRP HD1 6.000 . 6.000 5.395 4.756 5.653 . 0 0 "[ . 1]" 1
48 1 5 VAL MG2 1 40 TRP HE1 6.000 . 6.000 3.973 2.939 4.687 . 0 0 "[ . 1]" 1
49 1 5 VAL MG2 1 57 VAL HB 5.000 . 5.000 3.189 2.907 3.794 . 0 0 "[ . 1]" 1
50 1 5 VAL MG2 1 57 VAL MG1 5.000 . 5.000 3.426 3.336 3.553 . 0 0 "[ . 1]" 1
51 1 5 VAL MG2 1 59 VAL HA 3.800 . 3.800 2.560 2.351 2.743 . 0 0 "[ . 1]" 1
52 1 5 VAL MG2 1 59 VAL MG2 5.000 . 5.000 3.150 3.013 3.254 . 0 0 "[ . 1]" 1
53 1 5 VAL MG2 1 60 LEU H 5.000 . 5.000 3.789 3.653 3.964 . 0 0 "[ . 1]" 1
54 1 6 GLN H 1 6 GLN HB2 3.200 . 3.200 2.685 2.555 2.788 . 0 0 "[ . 1]" 1
55 1 6 GLN H 1 7 THR H 5.000 . 5.000 4.461 4.409 4.535 . 0 0 "[ . 1]" 1
56 1 6 GLN H 1 59 VAL HA 5.000 . 5.000 2.472 2.276 2.686 . 0 0 "[ . 1]" 1
57 1 6 GLN HA 1 6 GLN HG3 3.800 . 3.800 2.217 2.103 2.407 . 0 0 "[ . 1]" 1
58 1 6 GLN HA 1 7 THR H 3.200 . 3.200 2.252 2.205 2.368 . 0 0 "[ . 1]" 1
59 1 6 GLN HA 1 26 THR HA 3.200 . 3.200 2.067 1.785 2.740 0.015 6 0 "[ . 1]" 1
60 1 6 GLN HA 1 27 MET H 5.000 . 5.000 2.736 2.579 2.901 . 0 0 "[ . 1]" 1
61 1 6 GLN HA 1 60 LEU MD2 5.000 . 5.000 3.537 2.872 3.867 . 0 0 "[ . 1]" 1
62 1 6 GLN HB2 1 7 THR H 5.000 . 5.000 4.298 4.224 4.349 . 0 0 "[ . 1]" 1
63 1 6 GLN HB2 1 26 THR HA 5.000 . 5.000 4.382 4.165 4.642 . 0 0 "[ . 1]" 1
64 1 6 GLN HB2 1 60 LEU HA 4.300 . 4.300 4.392 4.353 4.427 0.127 1 0 "[ . 1]" 1
65 1 6 GLN HB2 1 60 LEU HB3 5.000 . 5.000 4.330 1.952 5.008 0.008 2 0 "[ . 1]" 1
66 1 6 GLN HB2 1 60 LEU MD1 4.300 . 4.300 2.139 1.790 3.317 0.010 8 0 "[ . 1]" 1
67 1 6 GLN HB2 1 60 LEU MD2 5.000 . 5.000 2.698 2.092 3.113 . 0 0 "[ . 1]" 1
68 1 6 GLN HG3 1 7 THR H 3.200 . 3.200 3.124 2.291 3.259 0.059 4 0 "[ . 1]" 1
69 1 6 GLN HG3 1 26 THR HA 5.000 . 5.000 2.764 2.489 3.430 . 0 0 "[ . 1]" 1
70 1 6 GLN HG3 1 60 LEU MD1 5.000 . 5.000 3.609 3.222 4.042 . 0 0 "[ . 1]" 1
71 1 7 THR H 1 7 THR HB 3.800 . 3.800 3.517 3.311 3.646 . 0 0 "[ . 1]" 1
72 1 7 THR H 1 8 LEU H 5.000 . 5.000 4.501 4.462 4.545 . 0 0 "[ . 1]" 1
73 1 7 THR H 1 25 GLU H 5.000 . 5.000 5.124 5.052 5.196 0.196 8 0 "[ . 1]" 1
74 1 7 THR H 1 25 GLU HG2 5.700 . 5.700 4.861 4.231 5.814 0.114 1 0 "[ . 1]" 1
75 1 7 THR H 1 26 THR H 5.000 . 5.000 4.020 3.415 4.947 . 0 0 "[ . 1]" 1
76 1 7 THR H 1 58 VAL H 5.000 . 5.000 4.712 4.494 4.964 . 0 0 "[ . 1]" 1
77 1 7 THR HA 1 8 LEU H 3.200 . 3.200 2.289 2.143 2.412 . 0 0 "[ . 1]" 1
78 1 7 THR HA 1 8 LEU HB2 5.500 . 5.500 5.265 4.541 5.463 . 0 0 "[ . 1]" 1
79 1 7 THR HA 1 8 LEU HG 5.600 . 5.600 4.969 4.842 5.206 . 0 0 "[ . 1]" 1
80 1 7 THR HA 1 9 TYR H 4.100 . 4.100 4.066 3.845 4.155 0.055 4 0 "[ . 1]" 1
81 1 7 THR HA 1 57 VAL HA 3.200 . 3.200 2.749 2.232 3.400 0.200 2 0 "[ . 1]" 1
82 1 7 THR HA 1 57 VAL HB 5.000 . 5.000 2.095 1.692 2.481 0.108 9 0 "[ . 1]" 1
83 1 7 THR HA 1 57 VAL MG1 3.800 . 4.600 3.132 2.903 3.404 . 0 0 "[ . 1]" 1
84 1 7 THR HA 1 57 VAL MG2 5.000 . 5.000 3.673 3.236 4.122 . 0 0 "[ . 1]" 1
85 1 7 THR HA 1 58 VAL H 3.800 . 3.800 3.019 2.587 3.803 0.003 2 0 "[ . 1]" 1
86 1 7 THR HB 1 8 LEU HB2 5.600 . 5.600 5.728 5.668 5.816 0.216 5 0 "[ . 1]" 1
87 1 7 THR HB 1 25 GLU H 5.700 . 5.700 5.594 5.011 5.827 0.127 2 0 "[ . 1]" 1
88 1 7 THR HB 1 57 VAL HB 5.000 . 5.000 4.276 4.100 4.758 . 0 0 "[ . 1]" 1
89 1 7 THR HB 1 57 VAL MG1 5.000 . 5.000 3.968 3.874 4.065 . 0 0 "[ . 1]" 1
90 1 8 LEU H 1 8 LEU HB3 3.800 . 3.800 3.680 3.625 3.725 . 0 0 "[ . 1]" 1
91 1 8 LEU H 1 8 LEU MD2 5.000 . 5.000 1.820 1.645 2.241 0.155 6 0 "[ . 1]" 1
92 1 8 LEU H 1 8 LEU HG 3.800 . 3.800 3.827 3.646 3.893 0.093 10 0 "[ . 1]" 1
93 1 8 LEU H 1 9 TYR H 3.800 . 3.800 1.917 1.791 2.179 0.009 9 0 "[ . 1]" 1
94 1 8 LEU H 1 9 TYR HA 5.600 . 5.600 4.594 4.517 4.837 . 0 0 "[ . 1]" 1
95 1 8 LEU H 1 57 VAL HA 3.800 . 3.800 2.873 2.378 3.682 . 0 0 "[ . 1]" 1
96 1 8 LEU HA 1 8 LEU MD1 4.200 . 4.200 2.859 2.178 3.104 . 0 0 "[ . 1]" 1
97 1 8 LEU HB2 1 57 VAL HA 5.000 . 5.000 4.599 2.181 5.115 0.115 9 0 "[ . 1]" 1
98 1 8 LEU HB3 1 9 TYR H 5.000 . 5.000 4.109 3.692 4.400 . 0 0 "[ . 1]" 1
99 1 8 LEU HB3 1 57 VAL HA 5.000 . 5.000 4.916 3.600 5.105 0.105 7 0 "[ . 1]" 1
100 1 8 LEU MD1 1 57 VAL HA 5.000 . 5.000 2.264 1.782 3.670 0.018 1 0 "[ . 1]" 1
101 1 8 LEU MD1 1 57 VAL HB 5.700 . 5.700 3.330 2.301 4.962 . 0 0 "[ . 1]" 1
102 1 8 LEU MD1 1 58 VAL HB 3.800 . 3.800 2.506 1.876 3.025 . 0 0 "[ . 1]" 1
103 1 8 LEU MD1 1 58 VAL MG1 3.800 . 3.800 1.936 1.735 2.372 0.065 1 0 "[ . 1]" 1
104 1 8 LEU MD2 1 57 VAL HB 5.000 . 5.000 3.317 2.356 3.817 . 0 0 "[ . 1]" 1
105 1 8 LEU HG 1 9 TYR H 5.000 . 5.000 4.347 4.162 4.642 . 0 0 "[ . 1]" 1
106 1 8 LEU HG 1 57 VAL HA 3.800 . 3.800 3.581 1.935 4.034 0.234 10 0 "[ . 1]" 1
107 1 9 TYR H 1 57 VAL HA 6.000 . 6.000 3.975 3.505 4.945 . 0 0 "[ . 1]" 1
108 1 9 TYR QB 1 56 TYR QD 6.000 . 7.600 3.258 2.377 3.956 . 0 0 "[ . 1]" 1
109 1 9 TYR QB 1 56 TYR QE 6.000 . 6.000 4.418 2.984 5.077 . 0 0 "[ . 1]" 1
110 1 10 PRO HA 1 11 PHE H 3.200 . 3.200 2.502 2.249 2.714 . 0 0 "[ . 1]" 1
111 1 12 SER H 1 13 SER H 5.000 . 5.000 4.314 4.183 4.570 . 0 0 "[ . 1]" 1
112 1 12 SER HA 1 13 SER H 3.200 . 3.200 2.183 2.141 2.266 . 0 0 "[ . 1]" 1
113 1 12 SER HA 1 20 ASN HA 5.800 . 5.800 4.834 4.033 5.283 . 0 0 "[ . 1]" 1
114 1 12 SER HA 1 20 ASN HB3 5.000 . 5.000 4.833 3.887 5.096 0.096 8 0 "[ . 1]" 1
115 1 12 SER QB 1 56 TYR QE 7.000 . 7.000 4.384 2.910 5.281 . 0 0 "[ . 1]" 1
116 1 12 SER HB2 1 56 TYR QD 7.000 . 7.000 5.387 3.373 6.519 . 0 0 "[ . 1]" 1
117 1 13 SER H 1 13 SER HB2 3.200 . 3.200 2.514 2.209 2.998 . 0 0 "[ . 1]" 1
118 1 13 SER H 1 13 SER HB3 3.800 . 3.800 3.508 3.021 3.823 0.023 3 0 "[ . 1]" 1
119 1 13 SER H 1 14 VAL H 5.000 . 5.000 4.344 3.777 4.593 . 0 0 "[ . 1]" 1
120 1 13 SER H 1 14 VAL MG1 5.900 . 5.900 4.164 3.103 4.781 . 0 0 "[ . 1]" 1
121 1 13 SER H 1 20 ASN HB3 5.000 . 5.000 3.569 3.170 3.830 . 0 0 "[ . 1]" 1
122 1 13 SER H 1 21 PHE H 6.000 . 6.000 5.842 4.906 6.105 0.105 5 0 "[ . 1]" 1
123 1 13 SER HA 1 14 VAL H 3.200 . 3.200 2.291 2.138 2.544 . 0 0 "[ . 1]" 1
124 1 13 SER HA 1 14 VAL MG1 6.300 . 6.300 3.581 3.001 4.064 . 0 0 "[ . 1]" 1
125 1 13 SER HA 1 18 GLU HB2 6.900 . 6.900 4.132 3.166 4.952 . 0 0 "[ . 1]" 1
126 1 13 SER HA 1 18 GLU HB3 5.500 . 5.500 3.325 2.138 4.435 . 0 0 "[ . 1]" 1
127 1 13 SER HB2 1 14 VAL H 5.000 . 5.000 4.203 3.739 4.568 . 0 0 "[ . 1]" 1
128 1 13 SER HB2 1 15 THR H 6.500 . 6.500 5.829 5.415 6.320 . 0 0 "[ . 1]" 1
129 1 13 SER HB2 1 20 ASN H 5.000 . 5.000 4.100 3.350 5.105 0.105 4 0 "[ . 1]" 1
130 1 13 SER HB2 1 20 ASN HA 5.000 . 5.000 3.105 2.436 3.521 . 0 0 "[ . 1]" 1
131 1 13 SER HB2 1 21 PHE H 5.500 . 5.500 5.001 4.236 5.551 0.051 8 0 "[ . 1]" 1
132 1 13 SER HB3 1 14 VAL H 5.000 . 5.000 3.135 2.288 3.894 . 0 0 "[ . 1]" 1
133 1 13 SER HB3 1 14 VAL MG1 6.900 . 6.900 4.726 4.262 5.329 . 0 0 "[ . 1]" 1
134 1 13 SER HB3 1 15 THR H 5.000 . 5.000 4.446 3.958 5.029 0.029 8 0 "[ . 1]" 1
135 1 13 SER HB3 1 18 GLU HB2 5.000 . 5.000 3.518 2.283 5.010 0.010 5 0 "[ . 1]" 1
136 1 13 SER HB3 1 18 GLU HB3 3.800 . 3.800 2.682 1.992 3.513 . 0 0 "[ . 1]" 1
137 1 13 SER HB3 1 18 GLU HG3 5.000 . 5.000 4.700 3.131 5.056 0.056 5 0 "[ . 1]" 1
138 1 14 VAL H 1 14 VAL HB 3.800 . 3.800 3.727 3.337 3.886 0.086 5 0 "[ . 1]" 1
139 1 14 VAL H 1 14 VAL MG1 3.800 . 3.800 2.833 2.415 3.122 . 0 0 "[ . 1]" 1
140 1 14 VAL H 1 15 THR H 4.000 . 4.000 2.408 1.795 4.010 0.010 4 0 "[ . 1]" 1
141 1 14 VAL H 1 15 THR HA 5.600 . 5.600 4.674 4.427 5.149 . 0 0 "[ . 1]" 1
142 1 14 VAL HA 1 14 VAL MG1 3.600 . 3.600 2.620 2.155 3.179 . 0 0 "[ . 1]" 1
143 1 14 VAL HA 1 15 THR HA 5.000 . 5.000 4.610 4.326 4.853 . 0 0 "[ . 1]" 1
144 1 14 VAL HB 1 15 THR H 5.000 . 5.000 3.953 3.334 4.654 . 0 0 "[ . 1]" 1
145 1 14 VAL MG1 1 15 THR H 5.000 . 5.000 3.602 1.989 4.205 . 0 0 "[ . 1]" 1
146 1 15 THR H 1 15 THR HB 3.200 . 3.200 2.990 2.584 3.385 0.185 1 0 "[ . 1]" 1
147 1 15 THR H 1 16 GLU H 5.000 . 5.000 4.530 4.378 4.645 . 0 0 "[ . 1]" 1
148 1 15 THR HA 1 16 GLU H 3.200 . 3.200 2.474 2.345 2.511 . 0 0 "[ . 1]" 1
149 1 15 THR HA 1 17 GLU H 5.000 . 5.000 4.370 4.224 4.459 . 0 0 "[ . 1]" 1
150 1 16 GLU H 1 16 GLU HB3 3.200 . 3.200 2.644 2.075 3.222 0.022 6 0 "[ . 1]" 1
151 1 16 GLU H 1 16 GLU HG3 3.800 . 3.800 3.815 3.739 3.846 0.046 3 0 "[ . 1]" 1
152 1 16 GLU H 1 17 GLU H 3.800 . 3.800 2.560 2.345 2.663 . 0 0 "[ . 1]" 1
153 1 16 GLU H 1 18 GLU H 5.000 . 5.000 4.151 3.793 4.404 . 0 0 "[ . 1]" 1
154 1 16 GLU HB3 1 17 GLU H 3.200 . 3.200 3.075 2.877 3.163 . 0 0 "[ . 1]" 1
155 1 17 GLU H 1 17 GLU HB2 4.200 2.800 4.200 3.034 2.747 3.687 0.053 1 0 "[ . 1]" 1
156 1 17 GLU H 1 17 GLU HG3 3.800 . 3.800 2.744 1.965 3.654 . 0 0 "[ . 1]" 1
157 1 17 GLU H 1 18 GLU H 3.200 . 3.200 2.682 2.303 2.972 . 0 0 "[ . 1]" 1
158 1 17 GLU HA 1 17 GLU HG2 3.800 . 3.800 3.289 2.671 3.704 . 0 0 "[ . 1]" 1
159 1 17 GLU HA 1 18 GLU H 5.000 . 5.000 3.120 2.876 3.558 . 0 0 "[ . 1]" 1
160 1 17 GLU HG2 1 51 LEU MD1 6.200 . 6.200 4.925 4.072 5.127 . 0 0 "[ . 1]" 1
161 1 17 GLU HG2 1 51 LEU MD2 5.000 . 5.000 3.484 2.784 4.077 . 0 0 "[ . 1]" 1
162 1 18 GLU H 1 18 GLU HB3 3.800 . 3.800 3.476 2.822 3.813 0.013 2 0 "[ . 1]" 1
163 1 18 GLU H 1 50 GLY HA3 5.000 . 5.000 5.015 4.851 5.111 0.111 9 0 "[ . 1]" 1
164 1 18 GLU H 1 51 LEU H 5.000 . 5.000 4.155 3.678 4.440 . 0 0 "[ . 1]" 1
165 1 18 GLU HA 1 18 GLU HG3 3.800 . 3.800 2.968 2.030 3.808 0.008 2 0 "[ . 1]" 1
166 1 18 GLU HA 1 19 LEU H 3.200 . 3.200 2.596 2.352 2.749 . 0 0 "[ . 1]" 1
167 1 18 GLU HA 1 19 LEU MD1 5.000 . 5.000 3.440 3.110 3.825 . 0 0 "[ . 1]" 1
168 1 18 GLU HA 1 51 LEU HB3 3.800 . 4.200 3.959 3.558 4.319 0.119 7 0 "[ . 1]" 1
169 1 18 GLU HA 1 51 LEU MD2 5.000 . 5.000 3.991 3.687 4.110 . 0 0 "[ . 1]" 1
170 1 18 GLU HA 1 51 LEU HG 5.400 . 5.400 5.446 5.219 5.584 0.184 7 0 "[ . 1]" 1
171 1 18 GLU HB2 1 19 LEU H 5.000 . 5.000 3.465 3.063 3.895 . 0 0 "[ . 1]" 1
172 1 18 GLU HB2 1 19 LEU MD1 6.200 . 6.200 5.004 4.771 5.105 . 0 0 "[ . 1]" 1
173 1 18 GLU HB3 1 19 LEU MD1 5.800 . 5.800 4.417 3.899 4.742 . 0 0 "[ . 1]" 1
174 1 18 GLU HG2 1 51 LEU HB3 5.000 . 5.000 3.498 2.549 5.005 0.005 8 0 "[ . 1]" 1
175 1 18 GLU HG3 1 51 LEU HB3 5.000 . 5.000 3.904 2.716 4.504 . 0 0 "[ . 1]" 1
176 1 19 LEU H 1 19 LEU HB3 3.800 . 3.800 3.438 3.187 3.631 . 0 0 "[ . 1]" 1
177 1 19 LEU H 1 19 LEU MD1 5.000 . 5.000 2.966 1.896 3.758 . 0 0 "[ . 1]" 1
178 1 19 LEU H 1 19 LEU HG 5.000 2.600 5.000 4.518 4.230 4.674 . 0 0 "[ . 1]" 1
179 1 19 LEU H 1 20 ASN H 5.000 . 5.000 4.322 4.214 4.404 . 0 0 "[ . 1]" 1
180 1 19 LEU H 1 50 GLY HA3 5.000 . 5.000 3.181 2.596 3.533 . 0 0 "[ . 1]" 1
181 1 19 LEU H 1 51 LEU H 5.000 . 5.000 3.408 2.576 4.167 . 0 0 "[ . 1]" 1
182 1 19 LEU HA 1 19 LEU MD1 4.400 . 4.400 2.949 2.490 3.425 . 0 0 "[ . 1]" 1
183 1 19 LEU HA 1 20 ASN H 3.200 . 3.200 2.285 2.164 2.391 . 0 0 "[ . 1]" 1
184 1 19 LEU HB3 1 20 ASN H 4.400 . 4.400 3.443 2.475 4.130 . 0 0 "[ . 1]" 1
185 1 19 LEU HB3 1 50 GLY H 5.000 . 5.000 4.107 3.298 5.039 0.039 6 0 "[ . 1]" 1
186 1 19 LEU MD1 1 20 ASN H 5.000 . 5.000 4.059 3.849 4.316 . 0 0 "[ . 1]" 1
187 1 19 LEU MD1 1 48 GLN HA 5.900 . 5.900 4.658 4.397 4.979 . 0 0 "[ . 1]" 1
188 1 19 LEU MD1 1 48 GLN HB2 5.000 . 5.000 3.836 2.944 4.418 . 0 0 "[ . 1]" 1
189 1 19 LEU MD1 1 48 GLN HG3 5.000 . 5.000 3.920 2.209 4.273 . 0 0 "[ . 1]" 1
190 1 19 LEU MD1 1 50 GLY HA2 5.000 . 5.000 2.656 2.241 3.252 . 0 0 "[ . 1]" 1
191 1 19 LEU MD1 1 50 GLY HA3 5.000 . 6.600 1.810 1.703 1.871 0.097 9 0 "[ . 1]" 1
192 1 19 LEU MD2 1 44 ASN HA 7.400 . 7.400 6.080 5.861 6.217 . 0 0 "[ . 1]" 1
193 1 19 LEU MD2 1 44 ASN HB2 5.000 . 5.000 3.988 3.681 4.144 . 0 0 "[ . 1]" 1
194 1 19 LEU MD2 1 44 ASN HB3 5.000 . 5.000 4.116 3.748 4.340 . 0 0 "[ . 1]" 1
195 1 19 LEU MD2 1 46 ARG HB2 6.500 . 6.500 3.963 3.119 5.232 . 0 0 "[ . 1]" 1
196 1 19 LEU MD2 1 46 ARG HB3 5.000 . 5.000 3.973 3.337 4.190 . 0 0 "[ . 1]" 1
197 1 19 LEU MD2 1 46 ARG HG2 5.000 . 5.000 3.777 2.952 4.235 . 0 0 "[ . 1]" 1
198 1 19 LEU HG 1 20 ASN H 5.000 . 5.000 3.676 2.581 4.922 . 0 0 "[ . 1]" 1
199 1 19 LEU HG 1 50 GLY H 5.000 . 5.000 4.302 3.571 5.112 0.112 8 0 "[ . 1]" 1
200 1 19 LEU HG 1 50 GLY HA2 5.000 . 5.000 4.829 4.384 5.098 0.098 1 0 "[ . 1]" 1
201 1 19 LEU HG 1 50 GLY HA3 4.400 . 4.400 3.823 3.444 4.071 . 0 0 "[ . 1]" 1
202 1 19 LEU HG 1 51 LEU H 5.800 . 5.800 5.922 5.860 5.978 0.178 9 0 "[ . 1]" 1
203 1 20 ASN H 1 20 ASN HB3 3.900 . 3.900 3.144 2.684 3.534 . 0 0 "[ . 1]" 1
204 1 20 ASN H 1 21 PHE H 5.000 . 5.000 4.125 3.837 4.559 . 0 0 "[ . 1]" 1
205 1 20 ASN HA 1 21 PHE H 3.200 . 3.200 2.148 2.104 2.247 . 0 0 "[ . 1]" 1
206 1 20 ASN HB3 1 21 PHE H 4.600 . 4.600 4.257 3.707 4.509 . 0 0 "[ . 1]" 1
207 1 21 PHE HA 1 22 GLU H 3.200 . 3.200 2.419 2.354 2.479 . 0 0 "[ . 1]" 1
208 1 21 PHE HA 1 46 ARG HD2 4.200 . 4.200 3.907 2.951 4.356 0.156 1 0 "[ . 1]" 1
209 1 21 PHE HA 1 46 ARG HG2 5.600 . 5.600 4.161 1.845 5.676 0.076 10 0 "[ . 1]" 1
210 1 21 PHE HB2 1 22 GLU H 4.200 . 4.200 2.850 2.439 3.795 . 0 0 "[ . 1]" 1
211 1 21 PHE HB2 1 46 ARG HG2 4.800 . 4.800 4.032 2.395 4.890 0.090 4 0 "[ . 1]" 1
212 1 21 PHE QD 1 48 GLN HB2 7.000 . 7.000 4.851 3.960 6.459 . 0 0 "[ . 1]" 1
213 1 21 PHE QD 1 48 GLN HB3 7.000 . 7.000 5.143 3.502 6.616 . 0 0 "[ . 1]" 1
214 1 22 GLU H 1 22 GLU HB2 3.800 . 3.800 2.657 2.050 3.611 . 0 0 "[ . 1]" 1
215 1 22 GLU H 1 22 GLU HG3 3.800 . 3.800 3.532 2.328 3.913 0.113 1 0 "[ . 1]" 1
216 1 22 GLU HA 1 22 GLU HG3 3.800 . 3.800 2.925 2.211 3.699 . 0 0 "[ . 1]" 1
217 1 22 GLU HB2 1 23 LYS H 4.400 . 4.400 4.003 3.445 4.501 0.101 10 0 "[ . 1]" 1
218 1 22 GLU HG3 1 23 LYS H 4.300 . 4.300 4.172 3.699 4.474 0.174 7 0 "[ . 1]" 1
219 1 23 LYS H 1 23 LYS HB2 3.200 . 3.200 2.632 2.066 3.269 0.069 9 0 "[ . 1]" 1
220 1 23 LYS H 1 23 LYS HB3 3.200 . 3.200 2.617 2.021 3.271 0.071 2 0 "[ . 1]" 1
221 1 23 LYS H 1 23 LYS HD3 5.000 . 5.000 4.817 4.506 5.040 0.040 3 0 "[ . 1]" 1
222 1 23 LYS H 1 24 GLY H 5.000 . 5.000 4.558 4.475 4.599 . 0 0 "[ . 1]" 1
223 1 23 LYS HA 1 23 LYS HD2 4.600 . 4.600 3.943 2.950 4.719 0.119 4 0 "[ . 1]" 1
224 1 23 LYS HA 1 23 LYS HD3 4.400 . 4.400 2.751 2.033 3.844 . 0 0 "[ . 1]" 1
225 1 23 LYS HA 1 24 GLY H 3.200 . 3.200 2.164 2.120 2.232 . 0 0 "[ . 1]" 1
226 1 23 LYS HB2 1 23 LYS HD3 3.800 . 3.800 3.427 2.776 3.887 0.087 1 0 "[ . 1]" 1
227 1 23 LYS HB2 1 24 GLY H 5.000 . 5.000 4.013 3.454 4.452 . 0 0 "[ . 1]" 1
228 1 23 LYS HD2 1 24 GLY H 4.300 . 4.300 3.714 2.425 4.334 0.034 3 0 "[ . 1]" 1
229 1 23 LYS HD3 1 24 GLY H 5.000 . 5.000 2.310 1.875 3.072 . 0 0 "[ . 1]" 1
230 1 23 LYS HD3 1 26 THR HA 6.500 . 6.500 6.054 5.215 6.633 0.133 4 0 "[ . 1]" 1
231 1 23 LYS HD3 1 26 THR HB 7.300 . 7.300 7.381 7.328 7.471 0.171 9 0 "[ . 1]" 1
232 1 24 GLY H 1 25 GLU H 4.600 . 4.600 3.749 1.928 4.284 . 0 0 "[ . 1]" 1
233 1 24 GLY HA2 1 25 GLU H 5.000 . 5.000 2.817 2.235 3.519 . 0 0 "[ . 1]" 1
234 1 24 GLY HA3 1 25 GLU H 5.000 . 5.000 2.703 2.212 3.568 . 0 0 "[ . 1]" 1
235 1 25 GLU H 1 25 GLU HB2 3.800 . 3.800 2.325 2.129 2.494 . 0 0 "[ . 1]" 1
236 1 25 GLU H 1 25 GLU HG2 5.000 . 5.000 4.484 3.238 4.687 . 0 0 "[ . 1]" 1
237 1 25 GLU H 1 25 GLU HG3 4.100 . 4.100 4.008 2.816 4.334 0.234 6 0 "[ . 1]" 1
238 1 25 GLU H 1 26 THR H 5.000 . 5.000 2.482 2.016 4.139 . 0 0 "[ . 1]" 1
239 1 25 GLU HA 1 25 GLU HG2 3.500 . 3.500 2.831 2.319 3.310 . 0 0 "[ . 1]" 1
240 1 25 GLU HA 1 25 GLU HG3 3.800 . 3.800 2.354 2.108 3.490 . 0 0 "[ . 1]" 1
241 1 25 GLU HA 1 26 THR H 3.200 . 3.200 3.267 2.983 3.386 0.186 4 0 "[ . 1]" 1
242 1 25 GLU HB2 1 26 THR H 5.000 . 5.000 3.753 3.368 4.327 . 0 0 "[ . 1]" 1
243 1 25 GLU HG2 1 26 THR H 5.000 . 5.000 4.734 2.185 5.089 0.089 10 0 "[ . 1]" 1
244 1 25 GLU HG3 1 26 THR H 5.000 . 5.000 4.875 3.564 5.076 0.076 9 0 "[ . 1]" 1
245 1 26 THR H 1 26 THR HB 4.000 . 4.000 3.713 3.446 3.909 . 0 0 "[ . 1]" 1
246 1 26 THR HA 1 27 MET H 3.200 . 3.200 2.133 2.082 2.199 . 0 0 "[ . 1]" 1
247 1 26 THR HA 1 60 LEU MD2 5.000 . 5.000 3.998 3.751 4.105 . 0 0 "[ . 1]" 1
248 1 26 THR HB 1 27 MET H 3.200 . 3.200 3.262 3.024 3.410 0.210 4 0 "[ . 1]" 1
249 1 26 THR HB 1 60 LEU MD2 5.000 . 5.000 3.752 2.267 4.232 . 0 0 "[ . 1]" 1
250 1 27 MET H 1 27 MET HB3 3.800 . 3.800 3.429 2.830 3.839 0.039 4 0 "[ . 1]" 1
251 1 27 MET H 1 28 GLU HB2 6.800 . 6.800 6.708 6.489 6.876 0.076 6 0 "[ . 1]" 1
252 1 27 MET HA 1 28 GLU H 3.200 . 3.200 2.448 2.416 2.475 . 0 0 "[ . 1]" 1
253 1 27 MET HA 1 43 LYS H 5.000 . 6.600 5.962 5.683 6.254 . 0 0 "[ . 1]" 1
254 1 27 MET HB2 1 28 GLU H 3.800 . 3.800 3.350 2.598 3.860 0.060 7 0 "[ . 1]" 1
255 1 27 MET HB3 1 28 GLU H 5.000 . 5.000 3.116 2.423 4.050 . 0 0 "[ . 1]" 1
256 1 28 GLU H 1 42 CYS HA 5.000 . 5.000 4.630 4.348 4.913 . 0 0 "[ . 1]" 1
257 1 28 GLU H 1 42 CYS HB3 5.000 . 5.000 3.317 2.760 3.725 . 0 0 "[ . 1]" 1
258 1 28 GLU H 1 43 LYS H 3.800 . 4.200 3.967 3.692 4.217 0.017 10 0 "[ . 1]" 1
259 1 28 GLU HA 1 29 VAL H 3.200 . 3.200 2.126 2.100 2.167 . 0 0 "[ . 1]" 1
260 1 28 GLU HA 1 29 VAL MG2 5.000 . 5.000 4.019 3.925 4.201 . 0 0 "[ . 1]" 1
261 1 28 GLU HB2 1 29 VAL MG1 7.700 . 7.700 6.129 5.966 6.370 . 0 0 "[ . 1]" 1
262 1 28 GLU HB2 1 42 CYS HB3 5.000 . 5.000 4.700 4.476 4.971 . 0 0 "[ . 1]" 1
263 1 28 GLU HB2 1 43 LYS H 5.000 . 5.000 4.419 3.508 5.046 0.046 6 0 "[ . 1]" 1
264 1 28 GLU HB3 1 42 CYS HB3 5.300 . 5.300 5.391 5.327 5.463 0.163 7 0 "[ . 1]" 1
265 1 29 VAL HA 1 30 ILE H 3.200 . 3.200 2.128 2.096 2.158 . 0 0 "[ . 1]" 1
266 1 29 VAL HA 1 30 ILE HG12 5.000 . 5.000 3.760 3.686 3.859 . 0 0 "[ . 1]" 1
267 1 29 VAL HA 1 41 LYS H 5.000 . 5.000 4.285 4.007 4.737 . 0 0 "[ . 1]" 1
268 1 29 VAL HA 1 42 CYS HA 3.200 . 3.200 2.775 2.730 2.807 . 0 0 "[ . 1]" 1
269 1 29 VAL HA 1 42 CYS HB3 5.000 . 5.000 2.161 1.944 2.959 . 0 0 "[ . 1]" 1
270 1 29 VAL HA 1 43 LYS H 5.000 . 5.000 4.589 4.462 4.773 . 0 0 "[ . 1]" 1
271 1 29 VAL HB 1 40 TRP HB2 6.200 . 6.200 4.541 4.218 6.117 . 0 0 "[ . 1]" 1
272 1 29 VAL HB 1 40 TRP HD1 6.000 . 6.000 5.725 4.887 6.104 0.104 4 0 "[ . 1]" 1
273 1 29 VAL HB 1 42 CYS HA 5.700 . 5.700 5.739 5.707 5.771 0.071 8 0 "[ . 1]" 1
274 1 29 VAL MG1 1 32 LYS HE2 5.000 . 5.000 3.211 2.444 3.652 . 0 0 "[ . 1]" 1
275 1 29 VAL MG1 1 32 LYS HE3 5.000 . 5.000 2.505 1.830 3.809 . 0 0 "[ . 1]" 1
276 1 29 VAL MG1 1 32 LYS HG2 6.500 . 6.500 4.417 3.901 4.860 . 0 0 "[ . 1]" 1
277 1 29 VAL MG1 1 33 PRO HG3 6.000 . 6.000 4.882 4.360 5.035 . 0 0 "[ . 1]" 1
278 1 29 VAL MG1 1 40 TRP HB2 5.000 . 5.000 1.992 1.734 3.601 0.066 1 0 "[ . 1]" 1
279 1 29 VAL MG1 1 40 TRP HB3 5.000 . 6.600 2.849 2.430 4.680 . 0 0 "[ . 1]" 1
280 1 29 VAL MG2 1 30 ILE H 5.000 . 5.000 3.744 3.623 3.847 . 0 0 "[ . 1]" 1
281 1 29 VAL MG2 1 40 TRP HB2 5.000 . 5.000 2.926 2.584 4.110 . 0 0 "[ . 1]" 1
282 1 29 VAL MG2 1 42 CYS HB3 5.000 . 5.000 2.262 1.968 3.169 . 0 0 "[ . 1]" 1
283 1 30 ILE H 1 30 ILE HB 3.800 . 3.800 3.528 3.490 3.560 . 0 0 "[ . 1]" 1
284 1 30 ILE H 1 31 GLU H 4.200 . 4.200 2.613 2.171 3.089 . 0 0 "[ . 1]" 1
285 1 30 ILE H 1 31 GLU HB3 5.800 . 5.800 4.974 4.448 5.734 . 0 0 "[ . 1]" 1
286 1 30 ILE H 1 41 LYS H 5.000 . 5.000 3.718 3.328 4.010 . 0 0 "[ . 1]" 1
287 1 30 ILE H 1 41 LYS HB2 5.000 . 6.600 5.426 5.265 5.529 . 0 0 "[ . 1]" 1
288 1 30 ILE H 1 42 CYS HB3 5.000 . 5.000 3.946 3.593 4.620 . 0 0 "[ . 1]" 1
289 1 30 ILE HA 1 30 ILE MD 4.600 . 4.600 3.433 3.352 3.541 . 0 0 "[ . 1]" 1
290 1 30 ILE HB 1 31 GLU H 4.200 . 4.200 2.840 2.223 3.431 . 0 0 "[ . 1]" 1
291 1 30 ILE HB 1 31 GLU HB3 5.300 . 5.300 4.800 3.603 5.314 0.014 1 0 "[ . 1]" 1
292 1 30 ILE HB 1 32 LYS H 6.700 . 6.700 5.865 5.672 6.204 . 0 0 "[ . 1]" 1
293 1 30 ILE HB 1 41 LYS H 6.400 . 6.400 5.735 5.402 5.973 . 0 0 "[ . 1]" 1
294 1 30 ILE HB 1 41 LYS HG3 5.000 . 6.600 5.445 5.151 5.601 . 0 0 "[ . 1]" 1
295 1 30 ILE MD 1 41 LYS H 5.500 . 5.500 4.094 3.942 4.191 . 0 0 "[ . 1]" 1
296 1 30 ILE MD 1 41 LYS HG2 5.400 . 5.400 4.385 4.327 4.439 . 0 0 "[ . 1]" 1
297 1 30 ILE MD 1 41 LYS HG3 5.000 . 5.000 4.011 3.918 4.050 . 0 0 "[ . 1]" 1
298 1 30 ILE MD 1 42 CYS H 5.000 . 5.000 3.802 3.613 3.976 . 0 0 "[ . 1]" 1
299 1 30 ILE MD 1 42 CYS HA 5.000 . 5.000 1.997 1.835 2.162 . 0 0 "[ . 1]" 1
300 1 30 ILE MD 1 42 CYS HB3 5.000 . 5.000 3.607 3.521 3.791 . 0 0 "[ . 1]" 1
301 1 30 ILE MD 1 43 LYS H 5.000 . 5.000 3.032 2.677 3.237 . 0 0 "[ . 1]" 1
302 1 30 ILE HG12 1 42 CYS HA 5.000 . 5.000 3.785 3.545 3.886 . 0 0 "[ . 1]" 1
303 1 30 ILE HG13 1 31 GLU HB3 5.000 . 5.000 4.776 4.156 5.014 0.014 2 0 "[ . 1]" 1
304 1 30 ILE HG13 1 41 LYS HA 5.900 . 5.900 6.059 6.011 6.114 0.214 8 0 "[ . 1]" 1
305 1 30 ILE HG13 1 41 LYS HD2 5.000 . 5.000 1.827 1.786 1.905 0.014 9 0 "[ . 1]" 1
306 1 30 ILE HG13 1 42 CYS HA 5.000 . 5.000 4.571 4.387 4.742 . 0 0 "[ . 1]" 1
307 1 30 ILE MG 1 41 LYS HD2 5.000 . 5.000 4.181 4.142 4.248 . 0 0 "[ . 1]" 1
308 1 30 ILE MG 1 42 CYS HA 5.300 . 5.300 4.178 3.787 4.315 . 0 0 "[ . 1]" 1
309 1 31 GLU H 1 31 GLU HB3 3.200 . 3.200 2.604 2.440 2.868 . 0 0 "[ . 1]" 1
310 1 31 GLU H 1 31 GLU HG3 5.000 . 5.000 4.313 3.469 4.627 . 0 0 "[ . 1]" 1
311 1 31 GLU H 1 32 LYS HD3 5.000 . 5.000 4.894 4.359 5.032 0.032 3 0 "[ . 1]" 1
312 1 31 GLU H 1 41 LYS H 6.100 . 6.100 3.291 2.601 3.901 . 0 0 "[ . 1]" 1
313 1 31 GLU HB3 1 32 LYS H 4.400 . 4.400 4.185 3.900 4.410 0.010 2 0 "[ . 1]" 1
314 1 31 GLU HB3 1 41 LYS HD2 7.400 . 7.400 3.947 3.211 4.509 . 0 0 "[ . 1]" 1
315 1 31 GLU HG3 1 32 LYS H 5.000 . 5.000 3.982 3.199 4.584 . 0 0 "[ . 1]" 1
316 1 32 LYS H 1 32 LYS HB3 3.500 . 3.500 3.521 3.317 3.638 0.138 3 0 "[ . 1]" 1
317 1 32 LYS HB3 1 32 LYS HD3 3.800 . 3.800 3.444 2.688 3.859 0.059 9 0 "[ . 1]" 1
318 1 32 LYS HE3 1 41 LYS H 6.500 . 6.500 6.511 6.373 6.578 0.078 5 0 "[ . 1]" 1
319 1 33 PRO HA 1 34 GLU H 3.200 . 3.200 3.025 2.285 3.323 0.123 10 0 "[ . 1]" 1
320 1 34 GLU H 1 34 GLU HB3 3.200 . 3.200 2.915 2.561 3.239 0.039 4 0 "[ . 1]" 1
321 1 34 GLU H 1 34 GLU HG3 3.800 . 3.800 3.023 1.915 3.820 0.020 4 0 "[ . 1]" 1
322 1 34 GLU H 1 35 ASN H 5.000 . 5.000 2.536 2.278 2.778 . 0 0 "[ . 1]" 1
323 1 34 GLU H 1 36 ASP H 5.000 . 5.000 3.751 3.432 4.146 . 0 0 "[ . 1]" 1
324 1 34 GLU HA 1 34 GLU HG3 3.800 . 3.800 3.395 2.228 3.787 . 0 0 "[ . 1]" 1
325 1 34 GLU HA 1 35 ASN H 3.800 . 3.800 3.516 3.434 3.568 . 0 0 "[ . 1]" 1
326 1 34 GLU HA 1 36 ASP H 5.000 . 5.000 4.979 4.826 5.035 0.035 9 0 "[ . 1]" 1
327 1 34 GLU HG3 1 35 ASN H 5.000 . 5.000 3.269 1.992 4.993 . 0 0 "[ . 1]" 1
328 1 35 ASN H 1 36 ASP H 3.800 . 3.800 2.083 1.898 2.398 . 0 0 "[ . 1]" 1
329 1 35 ASN HA 1 36 ASP H 5.000 . 5.000 3.518 3.478 3.546 . 0 0 "[ . 1]" 1
330 1 35 ASN HB3 1 36 ASP H 5.000 . 5.000 3.640 2.533 4.236 . 0 0 "[ . 1]" 1
331 1 38 GLU H 1 38 GLU HB2 3.800 . 3.800 3.199 2.066 3.677 . 0 0 "[ . 1]" 1
332 1 38 GLU H 1 38 GLU HB3 3.200 . 3.200 3.140 2.580 3.323 0.123 3 0 "[ . 1]" 1
333 1 38 GLU H 1 39 TRP H 3.200 . 3.200 2.685 1.742 3.256 0.058 4 0 "[ . 1]" 1
334 1 38 GLU HA 1 39 TRP H 5.000 . 5.000 3.431 3.110 3.573 . 0 0 "[ . 1]" 1
335 1 38 GLU HB2 1 39 TRP H 5.000 . 5.000 3.167 2.099 4.462 . 0 0 "[ . 1]" 1
336 1 38 GLU HB3 1 39 TRP H 3.800 . 3.800 3.150 1.919 3.886 0.086 4 0 "[ . 1]" 1
337 1 39 TRP H 1 39 TRP HB2 3.800 . 3.800 3.025 2.787 3.300 . 0 0 "[ . 1]" 1
338 1 39 TRP H 1 40 TRP H 5.000 . 5.000 4.398 4.327 4.530 . 0 0 "[ . 1]" 1
339 1 39 TRP HA 1 40 TRP H 3.200 . 3.200 2.310 2.248 2.418 . 0 0 "[ . 1]" 1
340 1 39 TRP HB2 1 51 LEU MD1 5.000 . 5.000 3.595 3.234 4.090 . 0 0 "[ . 1]" 1
341 1 39 TRP HB2 1 51 LEU MD2 5.000 . 5.000 2.717 2.029 3.203 . 0 0 "[ . 1]" 1
342 1 39 TRP HB3 1 51 LEU HB3 5.000 . 5.000 3.227 2.628 4.545 . 0 0 "[ . 1]" 1
343 1 39 TRP HB3 1 51 LEU MD1 5.000 . 5.000 3.987 2.311 4.235 . 0 0 "[ . 1]" 1
344 1 39 TRP HB3 1 51 LEU MD2 5.000 . 5.000 3.423 2.621 4.143 . 0 0 "[ . 1]" 1
345 1 40 TRP H 1 40 TRP HB2 3.800 . 3.800 3.707 3.365 3.827 0.027 6 0 "[ . 1]" 1
346 1 40 TRP H 1 40 TRP HB3 3.800 . 3.800 3.134 2.426 3.394 . 0 0 "[ . 1]" 1
347 1 40 TRP H 1 41 LYS HB3 5.900 . 5.900 5.525 4.777 5.877 . 0 0 "[ . 1]" 1
348 1 40 TRP H 1 51 LEU HA 5.000 . 5.000 4.385 4.205 4.647 . 0 0 "[ . 1]" 1
349 1 40 TRP H 1 52 VAL MG1 5.000 . 5.000 3.888 3.569 4.193 . 0 0 "[ . 1]" 1
350 1 40 TRP H 1 53 PRO HA 9.600 . 9.600 5.238 4.510 6.658 . 0 0 "[ . 1]" 1
351 1 40 TRP HA 1 41 LYS H 3.200 . 3.200 2.464 2.119 2.624 . 0 0 "[ . 1]" 1
352 1 40 TRP HB2 1 41 LYS H 5.000 . 5.000 2.427 2.007 4.250 . 0 0 "[ . 1]" 1
353 1 40 TRP HB2 1 52 VAL H 5.000 . 6.600 5.260 4.833 5.748 . 0 0 "[ . 1]" 1
354 1 40 TRP HB3 1 52 VAL H 5.000 . 6.600 5.766 4.408 6.218 . 0 0 "[ . 1]" 1
355 1 40 TRP HD1 1 52 VAL MG2 6.000 . 6.000 3.811 3.427 4.088 . 0 0 "[ . 1]" 1
356 1 40 TRP HD1 1 53 PRO HG2 7.000 . 7.000 7.014 6.678 7.221 0.221 9 0 "[ . 1]" 1
357 1 40 TRP HE1 1 52 VAL MG2 6.000 . 6.000 2.560 1.760 3.196 0.040 6 0 "[ . 1]" 1
358 1 40 TRP HE1 1 53 PRO HG2 7.500 . 7.500 5.466 5.145 6.346 . 0 0 "[ . 1]" 1
359 1 40 TRP HE1 1 54 LYS HA 6.000 . 6.000 3.046 2.458 3.598 . 0 0 "[ . 1]" 1
360 1 40 TRP HE1 1 59 VAL MG1 6.000 . 6.000 4.957 4.577 5.349 . 0 0 "[ . 1]" 1
361 1 40 TRP HE1 1 59 VAL MG2 6.000 . 6.000 3.915 3.608 4.715 . 0 0 "[ . 1]" 1
362 1 40 TRP HZ2 1 52 VAL MG2 6.000 . 6.000 4.229 3.486 5.158 . 0 0 "[ . 1]" 1
363 1 40 TRP HZ2 1 53 PRO HG2 7.000 . 7.000 6.418 6.253 7.112 0.112 5 0 "[ . 1]" 1
364 1 40 TRP HZ2 1 59 VAL MG1 6.000 . 6.000 5.333 4.600 5.646 . 0 0 "[ . 1]" 1
365 1 40 TRP HZ2 1 59 VAL MG2 6.000 . 6.000 3.365 3.042 3.933 . 0 0 "[ . 1]" 1
366 1 41 LYS H 1 41 LYS HB2 3.800 . 3.800 3.813 3.724 3.857 0.057 1 0 "[ . 1]" 1
367 1 41 LYS H 1 52 VAL H 5.000 . 5.000 4.806 4.677 4.977 . 0 0 "[ . 1]" 1
368 1 41 LYS H 1 52 VAL MG1 5.000 . 5.000 4.173 4.108 4.218 . 0 0 "[ . 1]" 1
369 1 41 LYS HA 1 41 LYS HG2 4.100 . 4.100 4.154 4.143 4.161 0.061 7 0 "[ . 1]" 1
370 1 41 LYS HA 1 42 CYS H 3.200 . 3.200 2.179 2.140 2.203 . 0 0 "[ . 1]" 1
371 1 41 LYS HA 1 49 VAL MG2 4.200 . 5.000 3.250 3.141 3.912 . 0 0 "[ . 1]" 1
372 1 41 LYS HA 1 50 GLY H 5.000 . 5.000 4.484 4.066 4.854 . 0 0 "[ . 1]" 1
373 1 41 LYS HA 1 51 LEU MD1 3.800 . 4.200 3.108 2.933 3.239 . 0 0 "[ . 1]" 1
374 1 41 LYS HB2 1 51 LEU MD1 5.000 . 5.000 3.087 3.005 3.158 . 0 0 "[ . 1]" 1
375 1 41 LYS HB3 1 51 LEU MD1 5.000 . 5.000 1.715 1.649 1.758 0.151 10 0 "[ . 1]" 1
376 1 41 LYS HB3 1 51 LEU MD2 5.000 . 5.000 4.232 4.192 4.272 . 0 0 "[ . 1]" 1
377 1 41 LYS HD3 1 49 VAL MG1 5.000 . 5.000 4.015 3.745 4.118 . 0 0 "[ . 1]" 1
378 1 41 LYS HD3 1 49 VAL MG2 5.000 . 5.000 2.376 2.228 2.797 . 0 0 "[ . 1]" 1
379 1 41 LYS HD3 1 51 LEU MD1 5.300 . 5.300 4.485 4.461 4.505 . 0 0 "[ . 1]" 1
380 1 41 LYS HE3 1 43 LYS H 5.400 . 5.400 5.489 5.432 5.529 0.129 8 0 "[ . 1]" 1
381 1 41 LYS HG2 1 42 CYS HA 6.000 . 6.000 6.131 6.092 6.179 0.179 9 0 "[ . 1]" 1
382 1 41 LYS HG2 1 49 VAL MG2 5.000 . 5.000 3.477 3.340 3.665 . 0 0 "[ . 1]" 1
383 1 41 LYS HG2 1 51 LEU HA 5.000 . 5.000 4.753 4.522 5.001 0.001 10 0 "[ . 1]" 1
384 1 41 LYS HG2 1 51 LEU MD1 5.000 . 5.000 2.670 2.577 2.782 . 0 0 "[ . 1]" 1
385 1 41 LYS HG3 1 49 VAL MG2 6.000 . 6.000 3.980 3.883 4.189 . 0 0 "[ . 1]" 1
386 1 41 LYS HG3 1 51 LEU HG 5.000 . 5.000 5.084 5.014 5.159 0.159 3 0 "[ . 1]" 1
387 1 42 CYS H 1 42 CYS HB3 3.800 . 3.800 3.496 3.326 3.817 0.017 5 0 "[ . 1]" 1
388 1 42 CYS H 1 43 LYS H 5.000 . 5.000 4.431 4.415 4.448 . 0 0 "[ . 1]" 1
389 1 42 CYS H 1 49 VAL MG1 5.600 . 5.600 4.860 4.749 4.928 . 0 0 "[ . 1]" 1
390 1 42 CYS H 1 50 GLY H 5.000 . 5.000 3.570 3.133 4.020 . 0 0 "[ . 1]" 1
391 1 42 CYS H 1 51 LEU HA 5.000 . 6.600 4.409 4.142 4.550 . 0 0 "[ . 1]" 1
392 1 42 CYS HA 1 43 LYS H 3.200 . 3.200 2.345 2.293 2.388 . 0 0 "[ . 1]" 1
393 1 42 CYS HB3 1 43 LYS H 3.800 . 3.800 3.552 2.856 3.820 0.020 4 0 "[ . 1]" 1
394 1 42 CYS HB3 1 50 GLY H 7.500 . 7.500 6.718 6.401 7.065 . 0 0 "[ . 1]" 1
395 1 43 LYS H 1 43 LYS HB3 3.800 . 3.800 2.991 2.474 3.663 . 0 0 "[ . 1]" 1
396 1 43 LYS H 1 49 VAL MG1 5.000 . 5.000 4.046 3.533 4.123 . 0 0 "[ . 1]" 1
397 1 43 LYS HA 1 44 ASN H 3.200 . 3.200 2.156 2.115 2.209 . 0 0 "[ . 1]" 1
398 1 44 ASN H 1 44 ASN HB2 3.800 . 3.800 2.652 2.472 2.799 . 0 0 "[ . 1]" 1
399 1 44 ASN H 1 45 ALA HA 5.000 . 5.000 5.162 5.121 5.198 0.198 7 0 "[ . 1]" 1
400 1 44 ASN H 1 48 GLN H 4.900 . 4.900 3.864 3.388 4.621 . 0 0 "[ . 1]" 1
401 1 44 ASN H 1 48 GLN HB3 6.100 . 6.100 6.026 5.275 6.343 0.243 9 0 "[ . 1]" 1
402 1 44 ASN H 1 49 VAL MG1 5.000 . 5.000 3.943 2.960 4.134 . 0 0 "[ . 1]" 1
403 1 44 ASN HA 1 45 ALA H 3.200 . 3.200 2.511 2.500 2.519 . 0 0 "[ . 1]" 1
404 1 44 ASN HA 1 45 ALA MB 5.000 . 5.000 4.138 4.048 4.174 . 0 0 "[ . 1]" 1
405 1 44 ASN HA 1 46 ARG HG2 6.800 . 6.800 6.244 4.746 6.982 0.182 1 0 "[ . 1]" 1
406 1 44 ASN HB2 1 45 ALA H 3.800 . 3.800 3.825 3.802 3.862 0.062 1 0 "[ . 1]" 1
407 1 44 ASN HB2 1 46 ARG H 5.000 . 5.000 3.766 3.510 3.959 . 0 0 "[ . 1]" 1
408 1 44 ASN HB2 1 46 ARG HG2 5.000 . 5.000 4.756 3.643 5.134 0.134 9 0 "[ . 1]" 1
409 1 44 ASN HB3 1 45 ALA H 3.200 . 3.200 2.902 2.540 3.043 . 0 0 "[ . 1]" 1
410 1 44 ASN HB3 1 45 ALA MB 5.500 . 5.500 4.330 4.019 4.473 . 0 0 "[ . 1]" 1
411 1 44 ASN HB3 1 46 ARG HG2 5.000 . 5.000 3.467 2.024 4.062 . 0 0 "[ . 1]" 1
412 1 45 ALA H 1 45 ALA MB 3.200 . 3.200 2.149 2.041 2.236 . 0 0 "[ . 1]" 1
413 1 45 ALA H 1 46 ARG H 3.800 . 3.800 2.628 2.558 2.759 . 0 0 "[ . 1]" 1
414 1 45 ALA H 1 47 GLY H 5.000 . 5.000 4.351 4.239 4.476 . 0 0 "[ . 1]" 1
415 1 45 ALA HA 1 46 ARG H 3.800 . 3.800 3.273 3.157 3.368 . 0 0 "[ . 1]" 1
416 1 45 ALA MB 1 46 ARG HA 5.000 . 5.000 4.037 3.933 4.132 . 0 0 "[ . 1]" 1
417 1 46 ARG H 1 46 ARG HB2 3.800 . 3.800 2.621 1.984 3.286 . 0 0 "[ . 1]" 1
418 1 46 ARG H 1 47 GLY H 3.200 . 3.200 2.435 2.379 2.497 . 0 0 "[ . 1]" 1
419 1 46 ARG H 1 47 GLY HA2 5.000 . 5.000 4.742 4.678 4.785 . 0 0 "[ . 1]" 1
420 1 46 ARG H 1 48 GLN H 5.000 . 5.000 3.689 3.449 4.037 . 0 0 "[ . 1]" 1
421 1 46 ARG H 1 48 GLN HB3 7.000 . 7.000 6.601 5.705 7.022 0.022 8 0 "[ . 1]" 1
422 1 46 ARG HA 1 46 ARG HG2 3.600 . 3.600 3.607 3.314 3.790 0.190 4 0 "[ . 1]" 1
423 1 46 ARG HA 1 47 GLY H 3.800 . 3.800 3.333 3.272 3.388 . 0 0 "[ . 1]" 1
424 1 46 ARG HB3 1 47 GLY H 5.000 . 5.000 3.968 3.557 4.420 . 0 0 "[ . 1]" 1
425 1 46 ARG HG2 1 48 GLN H 6.500 . 6.500 3.937 2.013 5.085 . 0 0 "[ . 1]" 1
426 1 47 GLY HA2 1 48 GLN H 5.000 . 5.000 3.331 3.206 3.489 . 0 0 "[ . 1]" 1
427 1 48 GLN H 1 49 VAL MG1 6.000 . 6.000 4.831 4.722 4.912 . 0 0 "[ . 1]" 1
428 1 48 GLN HA 1 49 VAL H 3.200 . 3.200 2.168 2.095 2.202 . 0 0 "[ . 1]" 1
429 1 48 GLN HA 1 49 VAL MG1 5.000 . 5.000 3.359 3.211 3.458 . 0 0 "[ . 1]" 1
430 1 49 VAL H 1 49 VAL HB 4.000 . 4.000 3.505 3.352 3.750 . 0 0 "[ . 1]" 1
431 1 49 VAL H 1 49 VAL MG1 3.800 . 3.800 2.048 1.894 2.260 . 0 0 "[ . 1]" 1
432 1 49 VAL H 1 50 GLY H 5.000 . 5.000 4.343 4.183 4.507 . 0 0 "[ . 1]" 1
433 1 49 VAL HB 1 50 GLY H 5.000 . 5.000 3.750 2.950 3.890 . 0 0 "[ . 1]" 1
434 1 49 VAL MG2 1 50 GLY H 3.800 . 3.800 2.603 2.439 2.946 . 0 0 "[ . 1]" 1
435 1 49 VAL MG2 1 50 GLY HA2 5.000 . 5.000 3.302 3.106 3.464 . 0 0 "[ . 1]" 1
436 1 49 VAL MG2 1 50 GLY HA3 5.000 . 5.000 4.072 4.033 4.101 . 0 0 "[ . 1]" 1
437 1 50 GLY HA2 1 51 LEU H 3.200 . 3.200 2.741 2.495 2.996 . 0 0 "[ . 1]" 1
438 1 50 GLY HA2 1 52 VAL H 6.000 . 6.000 5.919 5.549 6.134 0.134 5 0 "[ . 1]" 1
439 1 50 GLY HA3 1 51 LEU H 3.200 . 3.200 2.339 2.165 2.498 . 0 0 "[ . 1]" 1
440 1 51 LEU H 1 51 LEU MD1 5.000 . 5.000 2.726 2.329 3.143 . 0 0 "[ . 1]" 1
441 1 51 LEU H 1 51 LEU MD2 5.000 . 5.000 3.696 3.236 4.119 . 0 0 "[ . 1]" 1
442 1 51 LEU H 1 52 VAL H 5.000 . 5.000 4.364 4.133 4.552 . 0 0 "[ . 1]" 1
443 1 51 LEU HA 1 51 LEU MD1 3.800 . 3.800 2.002 1.937 2.068 . 0 0 "[ . 1]" 1
444 1 51 LEU HA 1 52 VAL H 3.200 . 3.200 2.120 2.094 2.157 . 0 0 "[ . 1]" 1
445 1 51 LEU HB3 1 52 VAL MG1 6.200 . 6.200 4.893 4.668 5.026 . 0 0 "[ . 1]" 1
446 1 51 LEU MD1 1 52 VAL H 5.000 . 5.000 3.664 3.447 3.823 . 0 0 "[ . 1]" 1
447 1 52 VAL H 1 52 VAL HB 3.800 . 3.800 3.156 2.976 3.528 . 0 0 "[ . 1]" 1
448 1 52 VAL MG1 1 54 LYS HA 6.500 . 8.100 4.210 3.714 4.772 . 0 0 "[ . 1]" 1
449 1 52 VAL MG1 1 54 LYS HB3 6.600 . 6.600 4.653 3.890 5.318 . 0 0 "[ . 1]" 1
450 1 52 VAL MG1 1 55 ASN H 7.800 . 7.800 6.168 5.471 6.613 . 0 0 "[ . 1]" 1
451 1 52 VAL MG2 1 54 LYS HA 6.000 . 6.000 3.460 3.061 3.722 . 0 0 "[ . 1]" 1
452 1 52 VAL MG2 1 54 LYS HB3 6.000 . 6.000 4.819 4.624 4.918 . 0 0 "[ . 1]" 1
453 1 52 VAL MG2 1 56 TYR QD 6.000 . 6.000 4.652 4.283 5.180 . 0 0 "[ . 1]" 1
454 1 52 VAL MG2 1 57 VAL MG1 5.200 . 5.200 2.345 1.740 3.628 0.060 4 0 "[ . 1]" 1
455 1 53 PRO QB 1 56 TYR QD 6.000 . 7.600 2.728 1.916 3.321 . 0 0 "[ . 1]" 1
456 1 53 PRO HG2 1 56 TYR QD 7.000 . 7.000 2.782 2.117 4.068 . 0 0 "[ . 1]" 1
457 1 54 LYS H 1 55 ASN H 3.800 . 3.800 2.784 2.702 3.000 . 0 0 "[ . 1]" 1
458 1 54 LYS HA 1 54 LYS HD2 5.000 . 5.000 3.732 1.795 4.318 0.005 9 0 "[ . 1]" 1
459 1 54 LYS HA 1 54 LYS HG2 3.800 . 3.800 3.958 3.575 4.109 0.309 10 0 "[ . 1]" 1
460 1 54 LYS HA 1 54 LYS HG3 4.200 . 4.200 3.376 2.792 3.541 . 0 0 "[ . 1]" 1
461 1 54 LYS HA 1 55 ASN H 5.000 . 5.000 3.421 3.344 3.467 . 0 0 "[ . 1]" 1
462 1 54 LYS HA 1 57 VAL MG1 8.400 . 8.400 2.674 1.927 2.978 . 0 0 "[ . 1]" 1
463 1 54 LYS HA 1 57 VAL MG2 7.500 . 7.500 2.467 2.121 2.845 . 0 0 "[ . 1]" 1
464 1 54 LYS HB3 1 54 LYS HD2 3.800 . 3.800 3.658 3.456 3.774 . 0 0 "[ . 1]" 1
465 1 54 LYS HB3 1 57 VAL MG1 6.000 . 6.000 4.583 3.343 4.914 . 0 0 "[ . 1]" 1
466 1 54 LYS HD2 1 55 ASN H 5.000 . 5.000 3.579 3.023 4.979 . 0 0 "[ . 1]" 1
467 1 54 LYS HD2 1 56 TYR H 5.000 . 5.000 5.025 4.841 5.063 0.063 1 0 "[ . 1]" 1
468 1 54 LYS HG3 1 56 TYR QD 7.000 . 7.000 6.077 5.076 6.695 . 0 0 "[ . 1]" 1
469 1 55 ASN H 1 55 ASN HB3 3.200 . 3.200 2.883 2.567 3.121 . 0 0 "[ . 1]" 1
470 1 55 ASN H 1 56 TYR H 3.800 . 3.800 2.576 2.415 2.876 . 0 0 "[ . 1]" 1
471 1 55 ASN H 1 56 TYR HB3 6.000 . 6.000 5.817 5.112 6.060 0.060 1 0 "[ . 1]" 1
472 1 55 ASN H 1 57 VAL H 5.000 . 5.000 4.261 4.099 4.538 . 0 0 "[ . 1]" 1
473 1 55 ASN H 1 57 VAL MG1 5.500 . 5.500 4.342 4.179 4.386 . 0 0 "[ . 1]" 1
474 1 55 ASN HA 1 56 TYR H 5.000 . 5.000 3.359 3.261 3.456 . 0 0 "[ . 1]" 1
475 1 55 ASN HA 1 57 VAL H 5.000 . 5.000 3.639 3.469 3.773 . 0 0 "[ . 1]" 1
476 1 55 ASN HB3 1 56 TYR H 5.000 . 5.000 3.374 3.119 3.623 . 0 0 "[ . 1]" 1
477 1 55 ASN HB3 1 57 VAL H 5.000 . 5.000 5.060 4.949 5.121 0.121 6 0 "[ . 1]" 1
478 1 56 TYR H 1 56 TYR HB3 3.800 . 3.800 3.491 2.685 3.746 . 0 0 "[ . 1]" 1
479 1 56 TYR H 1 57 VAL H 3.200 . 3.200 2.433 2.232 2.799 . 0 0 "[ . 1]" 1
480 1 56 TYR H 1 57 VAL MG1 5.000 . 5.000 2.774 2.620 2.947 . 0 0 "[ . 1]" 1
481 1 56 TYR H 1 57 VAL MG2 5.000 . 5.000 4.026 3.839 4.098 . 0 0 "[ . 1]" 1
482 1 56 TYR HB2 1 57 VAL H 5.000 . 5.000 4.006 3.796 4.530 . 0 0 "[ . 1]" 1
483 1 56 TYR HB2 1 57 VAL MG1 5.000 . 5.000 3.058 2.722 4.065 . 0 0 "[ . 1]" 1
484 1 56 TYR HB3 1 57 VAL H 5.000 . 5.000 4.403 4.295 4.504 . 0 0 "[ . 1]" 1
485 1 56 TYR HB3 1 57 VAL MG1 5.000 . 5.000 3.607 3.224 4.168 . 0 0 "[ . 1]" 1
486 1 57 VAL H 1 57 VAL MG2 3.800 . 3.800 2.766 2.500 2.901 . 0 0 "[ . 1]" 1
487 1 57 VAL H 1 58 VAL H 5.000 . 5.000 4.395 4.377 4.432 . 0 0 "[ . 1]" 1
488 1 57 VAL HA 1 58 VAL H 3.200 . 3.200 2.504 2.390 2.557 . 0 0 "[ . 1]" 1
489 1 57 VAL HA 1 58 VAL HB 5.000 . 5.000 4.412 4.322 4.504 . 0 0 "[ . 1]" 1
490 1 57 VAL HB 1 58 VAL H 3.200 . 3.200 2.415 2.193 2.541 . 0 0 "[ . 1]" 1
491 1 57 VAL MG2 1 58 VAL H 5.000 . 5.000 2.361 2.137 2.757 . 0 0 "[ . 1]" 1
492 1 57 VAL MG2 1 58 VAL HA 5.000 . 5.000 3.210 3.083 3.364 . 0 0 "[ . 1]" 1
493 1 57 VAL MG2 1 59 VAL MG2 5.000 . 5.000 2.886 2.585 3.071 . 0 0 "[ . 1]" 1
494 1 58 VAL H 1 58 VAL HB 3.800 . 3.800 3.202 2.981 3.328 . 0 0 "[ . 1]" 1
495 1 58 VAL HA 1 59 VAL H 3.200 . 3.200 2.157 2.146 2.173 . 0 0 "[ . 1]" 1
496 1 58 VAL HA 1 59 VAL MG2 5.000 . 5.000 3.572 3.484 3.728 . 0 0 "[ . 1]" 1
497 1 58 VAL MG2 1 60 LEU HA 6.500 . 6.500 4.518 4.336 4.709 . 0 0 "[ . 1]" 1
498 1 59 VAL H 1 59 VAL HB 3.200 . 3.200 2.699 2.650 2.873 . 0 0 "[ . 1]" 1
499 1 59 VAL H 1 59 VAL MG1 4.600 . 4.600 3.775 3.732 3.793 . 0 0 "[ . 1]" 1
500 1 59 VAL H 1 59 VAL MG2 3.800 . 3.800 2.019 1.861 2.239 . 0 0 "[ . 1]" 1
501 1 59 VAL HA 1 60 LEU H 3.200 . 3.200 2.185 2.158 2.227 . 0 0 "[ . 1]" 1
502 1 59 VAL MG1 1 60 LEU H 5.000 . 5.000 1.886 1.705 2.242 0.095 5 0 "[ . 1]" 1
503 1 59 VAL MG1 1 60 LEU HA 5.000 . 5.000 3.760 3.567 3.869 . 0 0 "[ . 1]" 1
504 1 59 VAL MG1 1 61 SER H 5.600 . 5.600 4.462 3.536 4.735 . 0 0 "[ . 1]" 1
505 1 60 LEU H 1 60 LEU HB3 3.200 . 3.200 3.095 2.585 3.281 0.081 6 0 "[ . 1]" 1
506 1 60 LEU H 1 61 SER H 4.200 . 4.200 4.298 3.824 4.429 0.229 9 0 "[ . 1]" 1
507 1 60 LEU HA 1 60 LEU MD1 4.200 . 4.200 2.301 1.908 3.407 . 0 0 "[ . 1]" 1
508 1 60 LEU HA 1 61 SER H 3.200 . 3.200 2.320 2.178 2.369 . 0 0 "[ . 1]" 1
509 1 60 LEU MD2 1 61 SER H 5.900 . 5.900 4.299 4.027 4.751 . 0 0 "[ . 1]" 1
510 1 61 SER H 1 61 SER HB3 3.800 . 3.800 3.352 2.722 3.725 . 0 0 "[ . 1]" 1
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