NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
429038 |
2ita   |
7320 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ita
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 656
_Distance_constraint_stats_list.Viol_count 734
_Distance_constraint_stats_list.Viol_total 450.792
_Distance_constraint_stats_list.Viol_max 0.283
_Distance_constraint_stats_list.Viol_rms 0.0268
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0069
_Distance_constraint_stats_list.Viol_average_violations_only 0.0614
_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 ALA 0.000 0.000 . 0 "[ . 1]"
1 3 ASP 0.047 0.018 6 0 "[ . 1]"
1 4 LYS 0.000 0.000 . 0 "[ . 1]"
1 5 THR 0.000 0.000 . 0 "[ . 1]"
1 6 ILE 0.047 0.018 6 0 "[ . 1]"
1 7 PHE 0.033 0.016 10 0 "[ . 1]"
1 9 ASP 0.000 0.000 . 0 "[ . 1]"
1 10 HIS 0.000 0.000 . 0 "[ . 1]"
1 11 LEU 0.119 0.078 1 0 "[ . 1]"
1 12 ASN 0.000 0.000 . 0 "[ . 1]"
1 13 THR 0.000 0.000 . 0 "[ . 1]"
1 14 ASN 0.060 0.019 6 0 "[ . 1]"
1 15 PRO 0.000 0.000 . 0 "[ . 1]"
1 16 LYS 0.745 0.100 2 0 "[ . 1]"
1 17 THR 1.548 0.172 5 0 "[ . 1]"
1 18 ASN 1.349 0.185 2 0 "[ . 1]"
1 19 LEU 2.942 0.259 8 0 "[ . 1]"
1 20 ARG 2.526 0.283 2 0 "[ . 1]"
1 21 LEU 4.906 0.276 8 0 "[ . 1]"
1 22 TRP 1.473 0.276 8 0 "[ . 1]"
1 23 VAL 1.524 0.283 2 0 "[ . 1]"
1 24 ALA 0.536 0.124 9 0 "[ . 1]"
1 25 PHE 1.280 0.136 6 0 "[ . 1]"
1 26 GLN 2.375 0.183 7 0 "[ . 1]"
1 27 MET 3.975 0.260 5 0 "[ . 1]"
1 28 MET 4.882 0.260 5 0 "[ . 1]"
1 29 LYS 1.738 0.183 7 0 "[ . 1]"
1 30 GLY 1.222 0.164 9 0 "[ . 1]"
1 31 ALA 2.190 0.154 3 0 "[ . 1]"
1 32 GLY 0.010 0.010 1 0 "[ . 1]"
1 33 TRP 0.313 0.054 10 0 "[ . 1]"
1 34 ALA 1.004 0.081 10 0 "[ . 1]"
1 35 GLY 0.000 0.000 . 0 "[ . 1]"
1 36 GLY 0.257 0.054 10 0 "[ . 1]"
1 37 VAL 2.195 0.181 10 0 "[ . 1]"
1 38 PHE 1.954 0.181 10 0 "[ . 1]"
1 39 PHE 1.408 0.133 10 0 "[ . 1]"
1 40 GLY 0.000 0.000 . 0 "[ . 1]"
1 41 THR 1.618 0.125 8 0 "[ . 1]"
1 42 LEU 3.528 0.230 9 0 "[ . 1]"
1 43 LEU 3.546 0.244 7 0 "[ . 1]"
1 44 LEU 2.476 0.125 8 0 "[ . 1]"
1 45 ILE 2.623 0.141 1 0 "[ . 1]"
1 46 GLY 1.694 0.192 10 0 "[ . 1]"
1 47 PHE 3.989 0.244 7 0 "[ . 1]"
1 48 PHE 2.346 0.141 1 0 "[ . 1]"
1 49 ARG 1.197 0.123 4 0 "[ . 1]"
1 50 VAL 2.144 0.192 7 0 "[ . 1]"
1 51 VAL 2.390 0.153 10 0 "[ . 1]"
1 52 GLY 0.156 0.058 2 0 "[ . 1]"
1 53 ARG 1.696 0.192 7 0 "[ . 1]"
1 54 MET 1.469 0.153 10 0 "[ . 1]"
1 55 LEU 2.616 0.146 6 0 "[ . 1]"
1 56 PRO 0.285 0.032 5 0 "[ . 1]"
1 57 ILE 3.609 0.227 5 0 "[ . 1]"
1 58 GLN 2.757 0.227 5 0 "[ . 1]"
1 59 GLU 2.149 0.181 1 0 "[ . 1]"
1 60 ASN 1.723 0.181 1 0 "[ . 1]"
1 61 GLN 0.700 0.139 1 0 "[ . 1]"
1 62 ALA 0.045 0.035 7 0 "[ . 1]"
1 63 PRO 0.748 0.139 7 0 "[ . 1]"
1 64 ALA 0.000 0.000 . 0 "[ . 1]"
1 65 PRO 0.793 0.139 7 0 "[ . 1]"
1 66 ASN 0.169 0.064 7 0 "[ . 1]"
1 67 ILE 0.153 0.064 7 0 "[ . 1]"
1 68 THR 0.167 0.167 6 0 "[ . 1]"
1 69 GLY 0.000 0.000 . 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 ALA HA 1 3 ASP H 5.000 . 5.000 2.303 2.138 2.528 . 0 0 "[ . 1]" 1
2 1 3 ASP QB 1 4 LYS H 5.000 . 5.000 2.313 2.025 3.398 . 0 0 "[ . 1]" 1
3 1 3 ASP H 1 4 LYS H 5.000 . 5.000 3.600 1.992 4.454 . 0 0 "[ . 1]" 1
4 1 3 ASP H 1 6 ILE H 5.000 . 5.000 4.876 4.622 5.018 0.018 6 0 "[ . 1]" 1
5 1 5 THR HB 1 6 ILE H 5.000 . 5.000 3.910 1.917 4.653 . 0 0 "[ . 1]" 1
6 1 6 ILE H 1 6 ILE QG 5.000 . 5.000 3.098 1.960 4.170 . 0 0 "[ . 1]" 1
7 1 7 PHE QB 1 14 ASN HA 5.000 . 5.000 4.604 3.987 5.011 0.011 9 0 "[ . 1]" 1
8 1 7 PHE QB 1 14 ASN QD 5.000 . 5.000 3.151 1.941 5.016 0.016 10 0 "[ . 1]" 1
9 1 7 PHE QB 1 17 THR HB 5.000 . 5.000 4.244 2.806 5.005 0.005 4 0 "[ . 1]" 1
10 1 7 PHE QB 1 17 THR MG 5.000 . 5.000 4.025 2.121 4.900 . 0 0 "[ . 1]" 1
11 1 9 ASP H 1 10 HIS H 5.000 . 5.000 3.428 2.395 4.647 . 0 0 "[ . 1]" 1
12 1 10 HIS HA 1 11 LEU H 5.000 . 5.000 2.926 2.140 3.572 . 0 0 "[ . 1]" 1
13 1 10 HIS QB 1 11 LEU H 5.000 . 5.000 2.894 1.928 3.915 . 0 0 "[ . 1]" 1
14 1 11 LEU H 1 11 LEU QD 5.000 . 5.000 2.490 1.771 3.750 0.029 1 0 "[ . 1]" 1
15 1 11 LEU H 1 11 LEU HG 3.800 . 3.800 2.908 1.982 3.878 0.078 1 0 "[ . 1]" 1
16 1 12 ASN HA 1 13 THR H 5.000 . 5.000 2.959 2.143 3.572 . 0 0 "[ . 1]" 1
17 1 12 ASN QB 1 13 THR H 5.000 . 5.000 2.888 1.958 4.042 . 0 0 "[ . 1]" 1
18 1 12 ASN H 1 13 THR H 5.000 . 5.000 3.446 1.996 4.640 . 0 0 "[ . 1]" 1
19 1 13 THR HA 1 13 THR HB 2.800 . 2.800 2.516 2.297 2.748 . 0 0 "[ . 1]" 1
20 1 13 THR HA 1 14 ASN QB 5.000 . 5.000 4.287 3.732 4.757 . 0 0 "[ . 1]" 1
21 1 14 ASN HA 1 15 PRO QD 5.000 . 5.000 2.742 1.925 3.529 . 0 0 "[ . 1]" 1
22 1 14 ASN QB 1 15 PRO QD 5.000 . 5.000 2.939 1.804 3.855 . 0 0 "[ . 1]" 1
23 1 14 ASN QD 1 17 THR MG 5.000 . 5.000 4.293 2.713 5.019 0.019 6 0 "[ . 1]" 1
24 1 15 PRO HA 1 16 LYS HA 5.000 . 5.000 4.797 4.662 4.938 . 0 0 "[ . 1]" 1
25 1 15 PRO QB 1 16 LYS H 5.000 . 5.000 2.941 2.660 3.249 . 0 0 "[ . 1]" 1
26 1 15 PRO QD 1 16 LYS H 5.000 . 5.000 2.746 2.253 2.996 . 0 0 "[ . 1]" 1
27 1 15 PRO QG 1 16 LYS H 5.000 . 5.000 3.945 3.777 4.119 . 0 0 "[ . 1]" 1
28 1 15 PRO HA 1 18 ASN QB 5.000 . 5.000 2.848 2.240 4.716 . 0 0 "[ . 1]" 1
29 1 15 PRO HA 1 18 ASN QD 5.000 . 5.000 3.500 1.849 4.672 . 0 0 "[ . 1]" 1
30 1 15 PRO HA 1 18 ASN H 5.000 . 5.000 3.562 2.865 4.383 . 0 0 "[ . 1]" 1
31 1 16 LYS HA 1 16 LYS QD 5.000 . 5.000 2.670 1.894 4.062 . 0 0 "[ . 1]" 1
32 1 16 LYS H 1 16 LYS QD 5.000 . 5.000 4.395 4.024 4.775 . 0 0 "[ . 1]" 1
33 1 16 LYS H 1 16 LYS QG 5.000 . 5.000 3.666 3.189 4.119 . 0 0 "[ . 1]" 1
34 1 16 LYS HA 1 17 THR H 5.000 . 5.000 3.512 3.442 3.586 . 0 0 "[ . 1]" 1
35 1 16 LYS QB 1 17 THR MG 5.000 . 5.000 4.987 4.832 5.066 0.066 4 0 "[ . 1]" 1
36 1 16 LYS QB 1 17 THR H 5.000 . 5.000 2.736 2.222 3.123 . 0 0 "[ . 1]" 1
37 1 16 LYS QD 1 17 THR HA 5.000 . 5.000 4.535 3.289 5.030 0.030 2 0 "[ . 1]" 1
38 1 16 LYS H 1 17 THR H 5.000 . 5.000 2.653 2.378 2.853 . 0 0 "[ . 1]" 1
39 1 16 LYS H 1 18 ASN H 5.000 . 5.000 4.095 3.513 4.597 . 0 0 "[ . 1]" 1
40 1 16 LYS HA 1 19 LEU H 5.000 . 5.000 4.345 3.473 5.008 0.008 2 0 "[ . 1]" 1
41 1 16 LYS HA 1 19 LEU QD 5.000 . 5.000 3.937 2.534 5.024 0.024 8 0 "[ . 1]" 1
42 1 16 LYS HA 1 19 LEU QB 5.000 . 5.000 4.043 2.926 4.969 . 0 0 "[ . 1]" 1
43 1 16 LYS QE 1 19 LEU QD 5.000 . 5.000 4.512 3.025 5.019 0.019 5 0 "[ . 1]" 1
44 1 16 LYS HA 1 20 ARG H 5.000 . 5.000 3.690 3.147 4.547 . 0 0 "[ . 1]" 1
45 1 16 LYS HA 1 20 ARG QD 5.000 . 5.000 5.041 5.010 5.100 0.100 2 0 "[ . 1]" 1
46 1 17 THR HA 1 18 ASN H 5.000 . 5.000 3.500 3.434 3.573 . 0 0 "[ . 1]" 1
47 1 17 THR HB 1 18 ASN QB 5.000 . 5.000 4.384 3.866 5.003 0.003 7 0 "[ . 1]" 1
48 1 17 THR HB 1 18 ASN H 5.000 . 5.000 2.815 2.273 3.119 . 0 0 "[ . 1]" 1
49 1 17 THR MG 1 18 ASN QB 5.000 . 5.000 4.531 3.492 4.943 . 0 0 "[ . 1]" 1
50 1 17 THR MG 1 18 ASN H 5.000 . 5.000 3.481 1.945 3.934 . 0 0 "[ . 1]" 1
51 1 17 THR H 1 18 ASN H 5.000 . 5.000 2.442 2.280 2.611 . 0 0 "[ . 1]" 1
52 1 17 THR H 1 18 ASN HA 5.000 . 5.000 5.039 4.930 5.148 0.148 1 0 "[ . 1]" 1
53 1 17 THR H 1 19 LEU H 5.000 . 5.000 4.334 3.654 4.945 . 0 0 "[ . 1]" 1
54 1 17 THR HA 1 20 ARG QB 5.000 . 5.000 3.094 2.070 4.379 . 0 0 "[ . 1]" 1
55 1 17 THR MG 1 21 LEU HG 3.800 . 3.800 3.332 2.362 3.877 0.077 4 0 "[ . 1]" 1
56 1 17 THR MG 1 21 LEU QD 2.800 . 2.800 2.421 1.951 2.972 0.172 5 0 "[ . 1]" 1
57 1 17 THR MG 1 21 LEU H 5.000 . 5.000 4.430 3.626 5.143 0.143 6 0 "[ . 1]" 1
58 1 18 ASN HA 1 19 LEU H 5.000 . 5.000 3.550 3.500 3.598 . 0 0 "[ . 1]" 1
59 1 18 ASN QB 1 19 LEU H 5.000 . 5.000 2.487 1.983 3.121 . 0 0 "[ . 1]" 1
60 1 18 ASN H 1 19 LEU QB 5.000 . 5.000 4.546 4.065 4.992 . 0 0 "[ . 1]" 1
61 1 18 ASN H 1 19 LEU H 5.000 . 5.000 2.798 2.280 3.263 . 0 0 "[ . 1]" 1
62 1 18 ASN QB 1 20 ARG H 5.000 . 5.000 4.556 4.161 5.012 0.012 2 0 "[ . 1]" 1
63 1 18 ASN HA 1 21 LEU HG 5.000 . 5.000 3.953 3.304 4.438 . 0 0 "[ . 1]" 1
64 1 18 ASN HA 1 21 LEU QD 5.000 . 5.000 2.496 1.798 3.810 0.002 7 0 "[ . 1]" 1
65 1 18 ASN QB 1 21 LEU H 5.000 . 5.000 5.022 4.792 5.185 0.185 2 0 "[ . 1]" 1
66 1 18 ASN H 1 21 LEU H 5.000 . 5.000 4.605 4.011 5.042 0.042 7 0 "[ . 1]" 1
67 1 18 ASN H 1 21 LEU QD 5.000 . 5.000 3.803 3.161 4.150 . 0 0 "[ . 1]" 1
68 1 19 LEU H 1 19 LEU QD 5.000 . 5.000 3.492 2.518 3.718 . 0 0 "[ . 1]" 1
69 1 19 LEU H 1 19 LEU HG 5.000 . 5.000 4.393 4.084 4.472 . 0 0 "[ . 1]" 1
70 1 19 LEU HA 1 19 LEU QD 3.800 . 3.800 2.941 2.507 3.407 . 0 0 "[ . 1]" 1
71 1 19 LEU QD 1 20 ARG HE 5.000 . 5.000 4.027 3.435 4.562 . 0 0 "[ . 1]" 1
72 1 19 LEU HA 1 20 ARG H 5.000 . 5.000 3.520 3.480 3.559 . 0 0 "[ . 1]" 1
73 1 19 LEU H 1 20 ARG HA 5.000 . 5.000 5.089 5.006 5.163 0.163 8 0 "[ . 1]" 1
74 1 19 LEU HA 1 21 LEU QD 5.000 . 5.000 4.316 3.792 5.192 0.192 8 0 "[ . 1]" 1
75 1 19 LEU QB 1 21 LEU QD 5.000 . 5.000 4.923 4.361 5.259 0.259 8 0 "[ . 1]" 1
76 1 19 LEU H 1 21 LEU QD 5.000 . 5.000 4.141 3.441 4.633 . 0 0 "[ . 1]" 1
77 1 19 LEU QD 1 22 TRP QB 5.000 . 5.000 4.186 3.493 4.594 . 0 0 "[ . 1]" 1
78 1 19 LEU QD 1 22 TRP H 5.000 . 5.000 4.872 4.657 5.024 0.024 3 0 "[ . 1]" 1
79 1 19 LEU HG 1 22 TRP QB 5.000 . 5.000 4.104 3.435 4.625 . 0 0 "[ . 1]" 1
80 1 19 LEU HG 1 22 TRP H 5.000 . 5.000 4.941 4.682 5.036 0.036 2 0 "[ . 1]" 1
81 1 19 LEU HA 1 22 TRP QB 5.000 . 5.000 2.969 2.558 3.605 . 0 0 "[ . 1]" 1
82 1 19 LEU H 1 22 TRP H 5.000 . 5.000 4.898 4.626 5.047 0.047 10 0 "[ . 1]" 1
83 1 19 LEU QD 1 23 VAL QG 2.800 . 2.800 2.129 1.804 2.478 . 0 0 "[ . 1]" 1
84 1 19 LEU HG 1 23 VAL QG 2.800 . 2.800 2.046 1.845 2.801 0.001 2 0 "[ . 1]" 1
85 1 19 LEU HA 1 23 VAL H 5.000 . 5.000 3.776 3.549 3.948 . 0 0 "[ . 1]" 1
86 1 19 LEU QB 1 23 VAL QG 5.000 . 5.000 3.444 3.085 4.099 . 0 0 "[ . 1]" 1
87 1 19 LEU H 1 23 VAL QG 5.000 . 5.000 4.965 4.797 5.149 0.149 2 0 "[ . 1]" 1
88 1 20 ARG HA 1 20 ARG QD 5.000 . 5.000 2.520 2.063 3.312 . 0 0 "[ . 1]" 1
89 1 20 ARG HA 1 20 ARG QG 3.800 . 3.800 2.867 2.563 3.292 . 0 0 "[ . 1]" 1
90 1 20 ARG H 1 20 ARG QD 5.000 . 5.000 4.171 3.323 5.003 0.003 5 0 "[ . 1]" 1
91 1 20 ARG HA 1 21 LEU H 5.000 . 5.000 3.491 3.347 3.587 . 0 0 "[ . 1]" 1
92 1 20 ARG QB 1 21 LEU H 5.000 . 5.000 2.943 2.674 3.178 . 0 0 "[ . 1]" 1
93 1 20 ARG QG 1 21 LEU QD 5.000 . 5.000 4.311 3.163 5.107 0.107 9 0 "[ . 1]" 1
94 1 20 ARG H 1 21 LEU H 5.000 . 5.000 2.748 2.640 2.853 . 0 0 "[ . 1]" 1
95 1 20 ARG H 1 21 LEU QD 5.000 . 5.000 3.824 2.859 4.624 . 0 0 "[ . 1]" 1
96 1 20 ARG H 1 22 TRP H 5.000 . 5.000 4.307 3.878 4.897 . 0 0 "[ . 1]" 1
97 1 20 ARG HA 1 23 VAL H 5.000 . 5.000 3.615 3.293 3.966 . 0 0 "[ . 1]" 1
98 1 20 ARG HA 1 23 VAL HB 3.800 . 3.800 2.776 2.397 3.880 0.080 2 0 "[ . 1]" 1
99 1 20 ARG HA 1 23 VAL QG 5.000 . 5.000 2.692 1.703 3.171 0.097 2 0 "[ . 1]" 1
100 1 20 ARG HE 1 23 VAL HA 5.000 . 5.000 5.080 5.037 5.283 0.283 2 0 "[ . 1]" 1
101 1 20 ARG HE 1 23 VAL QG 5.000 . 5.000 2.610 1.734 3.082 0.066 2 0 "[ . 1]" 1
102 1 20 ARG HA 1 24 ALA H 5.000 . 5.000 3.967 3.640 4.229 . 0 0 "[ . 1]" 1
103 1 20 ARG HA 1 24 ALA MB 5.000 . 5.000 4.232 3.849 4.537 . 0 0 "[ . 1]" 1
104 1 21 LEU H 1 21 LEU HG 5.000 . 5.000 3.796 2.120 4.290 . 0 0 "[ . 1]" 1
105 1 21 LEU HA 1 21 LEU QD 3.800 . 3.800 2.504 1.931 3.276 . 0 0 "[ . 1]" 1
106 1 21 LEU H 1 21 LEU QD 5.000 . 5.000 2.252 1.685 2.999 0.115 4 0 "[ . 1]" 1
107 1 21 LEU HA 1 22 TRP H 5.000 . 5.000 3.491 3.395 3.573 . 0 0 "[ . 1]" 1
108 1 21 LEU QB 1 22 TRP H 5.000 . 5.000 3.033 2.233 3.626 . 0 0 "[ . 1]" 1
109 1 21 LEU QD 1 22 TRP HA 3.800 . 3.800 3.376 2.412 4.076 0.276 8 0 "[ . 1]" 1
110 1 21 LEU QD 1 22 TRP H 5.000 . 5.000 2.580 1.896 3.627 . 0 0 "[ . 1]" 1
111 1 21 LEU H 1 22 TRP H 5.000 . 5.000 2.483 2.275 2.742 . 0 0 "[ . 1]" 1
112 1 21 LEU QD 1 23 VAL QG 5.000 . 5.000 4.705 4.262 5.014 0.014 3 0 "[ . 1]" 1
113 1 21 LEU HA 1 24 ALA MB 2.800 . 2.800 2.464 1.971 2.837 0.037 3 0 "[ . 1]" 1
114 1 21 LEU HA 1 24 ALA H 5.000 . 5.000 3.404 3.078 3.698 . 0 0 "[ . 1]" 1
115 1 21 LEU QD 1 24 ALA MB 3.800 . 3.800 3.715 3.324 3.924 0.124 9 0 "[ . 1]" 1
116 1 21 LEU H 1 24 ALA H 5.000 . 5.000 4.479 4.256 4.719 . 0 0 "[ . 1]" 1
117 1 21 LEU HA 1 25 PHE H 5.000 . 5.000 4.187 3.740 4.737 . 0 0 "[ . 1]" 1
118 1 22 TRP HA 1 22 TRP HD1 5.000 . 5.000 2.773 2.551 3.128 . 0 0 "[ . 1]" 1
119 1 22 TRP HA 1 23 VAL QG 5.000 . 5.000 4.703 4.644 4.767 . 0 0 "[ . 1]" 1
120 1 22 TRP HA 1 23 VAL H 5.000 . 5.000 3.525 3.488 3.552 . 0 0 "[ . 1]" 1
121 1 22 TRP QB 1 23 VAL QG 5.000 . 5.000 3.039 2.743 3.767 . 0 0 "[ . 1]" 1
122 1 22 TRP QB 1 23 VAL H 5.000 . 5.000 2.492 2.240 2.718 . 0 0 "[ . 1]" 1
123 1 22 TRP H 1 23 VAL QG 5.000 . 5.000 3.814 3.346 4.064 . 0 0 "[ . 1]" 1
124 1 22 TRP H 1 23 VAL H 5.000 . 5.000 2.485 2.301 2.686 . 0 0 "[ . 1]" 1
125 1 22 TRP HZ3 1 23 VAL QG 5.000 . 5.000 4.432 3.868 4.825 . 0 0 "[ . 1]" 1
126 1 22 TRP H 1 24 ALA H 5.000 . 5.000 3.770 3.473 4.023 . 0 0 "[ . 1]" 1
127 1 22 TRP H 1 24 ALA MB 5.000 . 5.000 4.575 4.208 4.868 . 0 0 "[ . 1]" 1
128 1 22 TRP HA 1 25 PHE QB 3.800 . 3.800 2.179 2.058 2.446 . 0 0 "[ . 1]" 1
129 1 22 TRP HA 1 25 PHE H 5.000 . 5.000 3.192 3.019 3.284 . 0 0 "[ . 1]" 1
130 1 22 TRP QB 1 25 PHE QD 5.000 . 5.000 3.883 3.666 4.076 . 0 0 "[ . 1]" 1
131 1 22 TRP HH2 1 25 PHE QE 5.000 . 5.000 4.721 4.044 5.029 0.029 7 0 "[ . 1]" 1
132 1 22 TRP H 1 25 PHE QB 5.000 . 5.000 4.464 4.207 4.624 . 0 0 "[ . 1]" 1
133 1 22 TRP HA 1 26 GLN H 5.000 . 5.000 4.624 4.474 4.819 . 0 0 "[ . 1]" 1
134 1 22 TRP HD1 1 26 GLN QE 5.000 . 5.000 4.672 4.302 5.049 0.049 7 0 "[ . 1]" 1
135 1 22 TRP HE1 1 26 GLN QE 5.000 . 5.000 4.228 3.841 4.795 . 0 0 "[ . 1]" 1
136 1 23 VAL H 1 23 VAL HB 3.800 . 3.800 2.603 2.461 2.719 . 0 0 "[ . 1]" 1
137 1 23 VAL HA 1 24 ALA MB 5.000 . 5.000 4.988 4.972 5.004 0.004 5 0 "[ . 1]" 1
138 1 23 VAL HA 1 24 ALA H 5.000 . 5.000 3.485 3.459 3.512 . 0 0 "[ . 1]" 1
139 1 23 VAL HB 1 24 ALA H 5.000 . 5.000 2.919 2.711 4.016 . 0 0 "[ . 1]" 1
140 1 23 VAL QG 1 24 ALA H 5.000 . 5.000 3.219 2.086 3.392 . 0 0 "[ . 1]" 1
141 1 23 VAL QG 1 24 ALA HA 5.000 . 5.000 3.646 3.283 3.925 . 0 0 "[ . 1]" 1
142 1 23 VAL QG 1 24 ALA MB 5.000 . 5.000 3.848 2.911 4.079 . 0 0 "[ . 1]" 1
143 1 23 VAL H 1 24 ALA MB 5.000 . 5.000 4.255 4.116 4.367 . 0 0 "[ . 1]" 1
144 1 23 VAL H 1 24 ALA H 5.000 . 5.000 2.594 2.501 2.735 . 0 0 "[ . 1]" 1
145 1 23 VAL QG 1 25 PHE H 5.000 . 5.000 4.442 3.885 4.523 . 0 0 "[ . 1]" 1
146 1 23 VAL H 1 25 PHE H 5.000 . 5.000 3.917 3.823 4.043 . 0 0 "[ . 1]" 1
147 1 23 VAL H 1 25 PHE QD 5.000 . 5.000 4.973 4.812 5.022 0.022 5 0 "[ . 1]" 1
148 1 23 VAL HA 1 26 GLN QB 5.000 . 5.000 4.614 3.842 4.904 . 0 0 "[ . 1]" 1
149 1 23 VAL HA 1 26 GLN QG 5.000 . 5.000 2.921 2.518 3.202 . 0 0 "[ . 1]" 1
150 1 23 VAL HA 1 26 GLN H 5.000 . 5.000 3.833 3.623 3.950 . 0 0 "[ . 1]" 1
151 1 23 VAL QG 1 26 GLN QB 5.000 . 5.000 4.869 4.186 5.034 0.034 2 0 "[ . 1]" 1
152 1 23 VAL HA 1 27 MET H 5.000 . 5.000 4.299 4.160 4.683 . 0 0 "[ . 1]" 1
153 1 23 VAL QG 1 27 MET H 5.000 . 5.000 4.082 4.012 4.338 . 0 0 "[ . 1]" 1
154 1 23 VAL QG 1 27 MET QB 5.000 . 5.000 3.190 2.869 4.342 . 0 0 "[ . 1]" 1
155 1 23 VAL QG 1 27 MET QG 5.000 . 5.000 4.006 2.888 4.660 . 0 0 "[ . 1]" 1
156 1 24 ALA H 1 24 ALA MB 2.800 . 2.800 2.168 2.063 2.258 . 0 0 "[ . 1]" 1
157 1 24 ALA HA 1 25 PHE H 5.000 . 5.000 3.454 3.445 3.461 . 0 0 "[ . 1]" 1
158 1 24 ALA MB 1 25 PHE H 3.800 . 3.800 2.850 2.794 2.912 . 0 0 "[ . 1]" 1
159 1 24 ALA MB 1 25 PHE QB 5.000 . 5.000 4.048 3.959 4.130 . 0 0 "[ . 1]" 1
160 1 24 ALA H 1 25 PHE H 5.000 . 5.000 2.361 2.267 2.408 . 0 0 "[ . 1]" 1
161 1 24 ALA H 1 26 GLN QG 5.000 . 5.000 4.614 4.435 4.884 . 0 0 "[ . 1]" 1
162 1 24 ALA HA 1 27 MET QB 5.000 . 5.000 2.426 1.775 3.880 0.025 1 0 "[ . 1]" 1
163 1 24 ALA HA 1 27 MET QG 5.000 . 5.000 2.138 1.817 2.594 . 0 0 "[ . 1]" 1
164 1 24 ALA HA 1 27 MET H 5.000 . 5.000 3.233 3.053 3.483 . 0 0 "[ . 1]" 1
165 1 24 ALA MB 1 27 MET H 5.000 . 5.000 4.505 4.348 4.735 . 0 0 "[ . 1]" 1
166 1 24 ALA MB 1 27 MET QG 5.000 . 5.000 3.223 3.007 3.573 . 0 0 "[ . 1]" 1
167 1 24 ALA HA 1 28 MET H 5.000 . 5.000 3.514 2.883 4.024 . 0 0 "[ . 1]" 1
168 1 25 PHE H 1 25 PHE QB 3.800 . 3.800 2.031 2.006 2.050 . 0 0 "[ . 1]" 1
169 1 25 PHE HA 1 26 GLN H 5.000 . 5.000 3.516 3.484 3.547 . 0 0 "[ . 1]" 1
170 1 25 PHE QB 1 26 GLN H 5.000 . 5.000 3.104 2.982 3.262 . 0 0 "[ . 1]" 1
171 1 25 PHE QB 1 26 GLN QG 5.000 . 5.000 4.427 3.458 4.722 . 0 0 "[ . 1]" 1
172 1 25 PHE QD 1 26 GLN QE 5.000 . 5.000 2.380 1.938 3.467 . 0 0 "[ . 1]" 1
173 1 25 PHE H 1 26 GLN H 3.800 . 3.800 2.671 2.517 2.737 . 0 0 "[ . 1]" 1
174 1 25 PHE QB 1 27 MET H 5.000 . 5.000 4.867 4.667 5.136 0.136 6 0 "[ . 1]" 1
175 1 25 PHE H 1 27 MET QG 5.000 . 5.000 4.897 3.866 5.131 0.131 1 0 "[ . 1]" 1
176 1 25 PHE HA 1 28 MET QB 5.000 . 5.000 3.731 3.527 4.374 . 0 0 "[ . 1]" 1
177 1 25 PHE HA 1 28 MET ME 5.000 . 5.000 3.689 3.388 3.907 . 0 0 "[ . 1]" 1
178 1 25 PHE HA 1 28 MET H 5.000 . 5.000 4.063 3.883 4.212 . 0 0 "[ . 1]" 1
179 1 25 PHE QB 1 28 MET ME 5.000 . 5.000 4.893 4.643 5.009 0.009 5 0 "[ . 1]" 1
180 1 25 PHE HA 1 29 LYS H 5.000 . 5.000 3.857 2.907 4.422 . 0 0 "[ . 1]" 1
181 1 26 GLN H 1 26 GLN QG 5.000 . 5.000 1.938 1.796 2.215 0.004 5 0 "[ . 1]" 1
182 1 26 GLN HA 1 27 MET H 5.000 . 5.000 3.480 3.445 3.530 . 0 0 "[ . 1]" 1
183 1 26 GLN QB 1 27 MET H 5.000 . 5.000 3.386 2.946 3.529 . 0 0 "[ . 1]" 1
184 1 26 GLN H 1 27 MET HA 5.000 . 5.000 4.905 4.809 5.018 0.018 8 0 "[ . 1]" 1
185 1 26 GLN H 1 27 MET QB 5.000 . 5.000 3.996 3.673 5.041 0.041 8 0 "[ . 1]" 1
186 1 26 GLN H 1 27 MET H 5.000 . 5.000 2.220 2.127 2.332 . 0 0 "[ . 1]" 1
187 1 26 GLN QG 1 28 MET H 5.000 . 5.000 4.309 4.091 5.033 0.033 7 0 "[ . 1]" 1
188 1 26 GLN H 1 28 MET QB 5.000 . 5.000 5.035 5.006 5.083 0.083 3 0 "[ . 1]" 1
189 1 26 GLN H 1 28 MET H 5.000 . 5.000 3.812 3.741 3.885 . 0 0 "[ . 1]" 1
190 1 26 GLN HA 1 29 LYS H 5.000 . 5.000 3.438 3.000 4.109 . 0 0 "[ . 1]" 1
191 1 26 GLN HA 1 29 LYS QB 3.800 . 3.800 3.227 2.750 3.889 0.089 8 0 "[ . 1]" 1
192 1 26 GLN HA 1 29 LYS QE 5.000 . 5.000 3.630 2.349 4.975 . 0 0 "[ . 1]" 1
193 1 26 GLN QE 1 29 LYS QE 5.000 . 5.000 5.032 5.006 5.063 0.063 6 0 "[ . 1]" 1
194 1 26 GLN QG 1 29 LYS H 5.000 . 5.000 5.123 5.075 5.183 0.183 7 0 "[ . 1]" 1
195 1 26 GLN H 1 29 LYS QB 5.000 . 5.000 4.846 4.517 5.017 0.017 7 0 "[ . 1]" 1
196 1 27 MET HA 1 27 MET QG 3.800 . 3.800 3.151 2.984 3.366 . 0 0 "[ . 1]" 1
197 1 27 MET H 1 27 MET QG 5.000 . 5.000 3.097 1.805 3.560 . 0 0 "[ . 1]" 1
198 1 27 MET HA 1 28 MET H 3.800 . 3.800 3.472 3.451 3.501 . 0 0 "[ . 1]" 1
199 1 27 MET QB 1 28 MET QB 3.800 . 3.800 3.991 3.854 4.060 0.260 5 0 "[ . 1]" 1
200 1 27 MET QB 1 28 MET H 5.000 . 5.000 3.039 2.953 3.286 . 0 0 "[ . 1]" 1
201 1 27 MET ME 1 28 MET QB 5.000 . 5.000 4.263 2.830 5.026 0.026 9 0 "[ . 1]" 1
202 1 27 MET QG 1 28 MET QB 3.800 . 3.800 2.867 2.211 3.685 . 0 0 "[ . 1]" 1
203 1 27 MET H 1 28 MET QB 5.000 . 5.000 4.271 4.213 4.371 . 0 0 "[ . 1]" 1
204 1 27 MET H 1 28 MET H 5.000 . 5.000 2.527 2.386 2.587 . 0 0 "[ . 1]" 1
205 1 27 MET H 1 29 LYS H 5.000 . 5.000 4.006 3.841 4.111 . 0 0 "[ . 1]" 1
206 1 27 MET HA 1 30 GLY H 5.000 . 5.000 4.426 3.851 4.846 . 0 0 "[ . 1]" 1
207 1 27 MET HA 1 31 ALA MB 2.800 . 2.800 2.878 2.861 2.915 0.115 4 0 "[ . 1]" 1
208 1 28 MET HA 1 28 MET QG 3.800 . 3.800 2.347 2.120 3.164 . 0 0 "[ . 1]" 1
209 1 28 MET H 1 28 MET QG 5.000 . 5.000 3.834 3.010 4.024 . 0 0 "[ . 1]" 1
210 1 28 MET QB 1 29 LYS H 5.000 . 5.000 2.686 2.525 3.219 . 0 0 "[ . 1]" 1
211 1 28 MET ME 1 29 LYS H 5.000 . 5.000 4.016 3.255 4.562 . 0 0 "[ . 1]" 1
212 1 28 MET H 1 29 LYS H 3.800 . 3.800 2.317 2.275 2.370 . 0 0 "[ . 1]" 1
213 1 28 MET H 1 30 GLY QA 5.000 . 5.000 5.117 5.038 5.164 0.164 9 0 "[ . 1]" 1
214 1 28 MET HA 1 31 ALA H 5.000 . 5.000 3.989 3.664 4.117 . 0 0 "[ . 1]" 1
215 1 28 MET HA 1 31 ALA MB 2.800 . 2.800 2.935 2.921 2.954 0.154 3 0 "[ . 1]" 1
216 1 28 MET H 1 31 ALA MB 5.000 . 5.000 4.112 4.039 4.294 . 0 0 "[ . 1]" 1
217 1 28 MET HA 1 32 GLY H 5.000 . 5.000 4.447 3.827 4.874 . 0 0 "[ . 1]" 1
218 1 29 LYS HA 1 29 LYS QD 5.000 . 5.000 4.031 3.761 4.340 . 0 0 "[ . 1]" 1
219 1 29 LYS H 1 29 LYS QB 3.800 . 3.800 2.410 2.197 2.749 . 0 0 "[ . 1]" 1
220 1 29 LYS H 1 29 LYS QG 5.000 . 5.000 3.255 2.165 4.076 . 0 0 "[ . 1]" 1
221 1 29 LYS HA 1 30 GLY H 5.000 . 5.000 3.487 3.399 3.537 . 0 0 "[ . 1]" 1
222 1 29 LYS QB 1 30 GLY H 5.000 . 5.000 2.662 2.229 3.109 . 0 0 "[ . 1]" 1
223 1 29 LYS H 1 30 GLY H 5.000 . 5.000 2.198 2.105 2.404 . 0 0 "[ . 1]" 1
224 1 29 LYS H 1 31 ALA H 5.000 . 5.000 3.506 3.396 3.646 . 0 0 "[ . 1]" 1
225 1 29 LYS HA 1 32 GLY H 5.000 . 5.000 3.962 3.302 4.246 . 0 0 "[ . 1]" 1
226 1 30 GLY QA 1 31 ALA H 5.000 . 5.000 2.895 2.802 2.931 . 0 0 "[ . 1]" 1
227 1 30 GLY H 1 31 ALA H 3.800 . 3.800 2.495 2.198 2.738 . 0 0 "[ . 1]" 1
228 1 30 GLY H 1 31 ALA MB 5.000 . 5.000 4.085 3.848 4.394 . 0 0 "[ . 1]" 1
229 1 30 GLY H 1 32 GLY H 5.000 . 5.000 4.620 4.123 4.889 . 0 0 "[ . 1]" 1
230 1 30 GLY H 1 33 TRP QB 5.000 . 5.000 4.951 4.673 5.018 0.018 6 0 "[ . 1]" 1
231 1 31 ALA H 1 31 ALA MB 2.800 . 2.800 2.199 2.148 2.307 . 0 0 "[ . 1]" 1
232 1 31 ALA HA 1 32 GLY H 5.000 . 5.000 3.563 3.477 3.580 . 0 0 "[ . 1]" 1
233 1 31 ALA MB 1 32 GLY QA 3.800 . 3.800 3.482 3.435 3.628 . 0 0 "[ . 1]" 1
234 1 31 ALA MB 1 32 GLY H 3.800 . 3.800 2.404 2.279 2.849 . 0 0 "[ . 1]" 1
235 1 31 ALA H 1 32 GLY H 5.000 . 5.000 2.557 2.314 2.682 . 0 0 "[ . 1]" 1
236 1 31 ALA HA 1 34 ALA H 5.000 . 5.000 4.776 4.448 5.038 0.038 10 0 "[ . 1]" 1
237 1 31 ALA HA 1 35 GLY H 5.000 . 5.000 3.600 3.010 3.930 . 0 0 "[ . 1]" 1
238 1 32 GLY QA 1 33 TRP QB 5.000 . 5.000 4.214 4.134 4.343 . 0 0 "[ . 1]" 1
239 1 32 GLY QA 1 33 TRP H 5.000 . 5.000 2.731 2.435 2.926 . 0 0 "[ . 1]" 1
240 1 32 GLY H 1 33 TRP H 3.800 . 3.800 2.587 2.430 2.912 . 0 0 "[ . 1]" 1
241 1 32 GLY QA 1 34 ALA H 5.000 . 5.000 4.839 4.499 4.948 . 0 0 "[ . 1]" 1
242 1 32 GLY H 1 34 ALA H 5.000 . 5.000 4.726 4.358 5.010 0.010 1 0 "[ . 1]" 1
243 1 33 TRP HA 1 34 ALA H 5.000 . 5.000 3.575 3.567 3.586 . 0 0 "[ . 1]" 1
244 1 33 TRP QB 1 34 ALA MB 5.000 . 5.000 3.544 3.385 3.743 . 0 0 "[ . 1]" 1
245 1 33 TRP QB 1 34 ALA H 5.000 . 5.000 2.034 1.936 2.215 . 0 0 "[ . 1]" 1
246 1 33 TRP H 1 34 ALA MB 5.000 . 5.000 4.390 4.246 4.648 . 0 0 "[ . 1]" 1
247 1 33 TRP H 1 34 ALA H 5.000 . 5.000 2.874 2.692 3.137 . 0 0 "[ . 1]" 1
248 1 33 TRP H 1 35 GLY H 5.000 . 5.000 4.133 3.391 4.764 . 0 0 "[ . 1]" 1
249 1 33 TRP HA 1 36 GLY H 5.000 . 5.000 4.215 3.908 4.356 . 0 0 "[ . 1]" 1
250 1 33 TRP HA 1 36 GLY QA 5.000 . 5.000 5.026 5.003 5.054 0.054 10 0 "[ . 1]" 1
251 1 33 TRP HA 1 37 VAL QG 5.000 . 5.000 3.348 2.651 4.018 . 0 0 "[ . 1]" 1
252 1 33 TRP HD1 1 37 VAL QG 5.000 . 5.000 3.226 2.251 4.581 . 0 0 "[ . 1]" 1
253 1 33 TRP HE1 1 37 VAL QG 5.000 . 5.000 3.142 2.027 4.088 . 0 0 "[ . 1]" 1
254 1 34 ALA H 1 34 ALA MB 2.800 . 2.800 2.125 2.045 2.240 . 0 0 "[ . 1]" 1
255 1 34 ALA HA 1 35 GLY H 5.000 . 5.000 3.555 3.488 3.584 . 0 0 "[ . 1]" 1
256 1 34 ALA MB 1 35 GLY QA 5.000 . 5.000 3.474 3.357 3.605 . 0 0 "[ . 1]" 1
257 1 34 ALA MB 1 35 GLY H 3.800 . 3.800 2.444 1.939 2.892 . 0 0 "[ . 1]" 1
258 1 34 ALA MB 1 36 GLY H 5.000 . 5.000 4.597 4.425 4.942 . 0 0 "[ . 1]" 1
259 1 34 ALA H 1 36 GLY H 5.000 . 5.000 4.639 4.412 4.926 . 0 0 "[ . 1]" 1
260 1 34 ALA HA 1 37 VAL HA 5.000 . 5.000 5.052 5.012 5.081 0.081 10 0 "[ . 1]" 1
261 1 34 ALA HA 1 37 VAL HB 3.800 . 3.800 2.464 2.280 2.589 . 0 0 "[ . 1]" 1
262 1 34 ALA HA 1 37 VAL QG 5.000 . 5.000 3.233 3.075 3.454 . 0 0 "[ . 1]" 1
263 1 34 ALA HA 1 37 VAL H 5.000 . 5.000 3.248 3.082 3.519 . 0 0 "[ . 1]" 1
264 1 34 ALA MB 1 37 VAL H 5.000 . 5.000 4.485 4.363 4.734 . 0 0 "[ . 1]" 1
265 1 34 ALA MB 1 37 VAL HB 5.000 . 5.000 4.023 3.903 4.207 . 0 0 "[ . 1]" 1
266 1 34 ALA MB 1 37 VAL QG 5.000 . 5.000 4.142 4.016 4.299 . 0 0 "[ . 1]" 1
267 1 34 ALA H 1 37 VAL HB 5.000 . 5.000 4.729 4.285 5.016 0.016 7 0 "[ . 1]" 1
268 1 34 ALA HA 1 38 PHE H 5.000 . 5.000 2.316 1.981 2.554 . 0 0 "[ . 1]" 1
269 1 34 ALA MB 1 38 PHE H 5.000 . 5.000 3.328 3.163 3.568 . 0 0 "[ . 1]" 1
270 1 34 ALA MB 1 39 PHE QB 5.000 . 5.000 5.040 5.018 5.063 0.063 10 0 "[ . 1]" 1
271 1 35 GLY H 1 36 GLY H 5.000 . 5.000 3.161 2.821 3.430 . 0 0 "[ . 1]" 1
272 1 35 GLY H 1 37 VAL H 5.000 . 5.000 4.387 3.955 4.636 . 0 0 "[ . 1]" 1
273 1 35 GLY QA 1 38 PHE H 5.000 . 5.000 4.391 4.236 4.493 . 0 0 "[ . 1]" 1
274 1 35 GLY H 1 38 PHE QB 5.000 . 5.000 4.170 3.838 4.689 . 0 0 "[ . 1]" 1
275 1 35 GLY H 1 38 PHE H 5.000 . 5.000 4.497 4.291 4.617 . 0 0 "[ . 1]" 1
276 1 35 GLY QA 1 39 PHE QB 5.000 . 5.000 2.826 2.569 3.077 . 0 0 "[ . 1]" 1
277 1 36 GLY H 1 36 GLY QA 2.800 . 2.800 2.226 2.218 2.238 . 0 0 "[ . 1]" 1
278 1 36 GLY QA 1 37 VAL H 5.000 . 5.000 2.733 2.674 2.809 . 0 0 "[ . 1]" 1
279 1 36 GLY H 1 37 VAL HB 5.000 . 5.000 4.856 4.690 4.945 . 0 0 "[ . 1]" 1
280 1 36 GLY H 1 37 VAL QG 5.000 . 5.000 3.870 3.662 4.014 . 0 0 "[ . 1]" 1
281 1 36 GLY H 1 38 PHE H 5.000 . 5.000 4.254 4.196 4.303 . 0 0 "[ . 1]" 1
282 1 36 GLY QA 1 39 PHE H 5.000 . 5.000 4.265 4.216 4.340 . 0 0 "[ . 1]" 1
283 1 36 GLY H 1 39 PHE QB 5.000 . 5.000 4.682 4.609 4.981 . 0 0 "[ . 1]" 1
284 1 36 GLY QA 1 40 GLY H 5.000 . 5.000 3.464 2.645 3.916 . 0 0 "[ . 1]" 1
285 1 37 VAL HA 1 37 VAL QG 2.800 . 2.800 2.107 2.036 2.172 . 0 0 "[ . 1]" 1
286 1 37 VAL H 1 37 VAL HB 3.800 . 3.800 2.572 2.511 2.606 . 0 0 "[ . 1]" 1
287 1 37 VAL HA 1 38 PHE H 5.000 . 5.000 3.540 3.530 3.554 . 0 0 "[ . 1]" 1
288 1 37 VAL HB 1 38 PHE H 5.000 . 5.000 2.237 2.215 2.269 . 0 0 "[ . 1]" 1
289 1 37 VAL QG 1 38 PHE HA 5.000 . 5.000 3.409 3.267 3.526 . 0 0 "[ . 1]" 1
290 1 37 VAL QG 1 38 PHE H 5.000 . 5.000 3.048 3.007 3.080 . 0 0 "[ . 1]" 1
291 1 37 VAL H 1 38 PHE HA 5.000 . 5.000 5.166 5.151 5.181 0.181 10 0 "[ . 1]" 1
292 1 37 VAL H 1 38 PHE QB 5.000 . 5.000 4.293 4.198 4.391 . 0 0 "[ . 1]" 1
293 1 37 VAL H 1 38 PHE H 5.000 . 5.000 2.604 2.582 2.642 . 0 0 "[ . 1]" 1
294 1 37 VAL HA 1 40 GLY H 5.000 . 5.000 4.066 3.868 4.378 . 0 0 "[ . 1]" 1
295 1 37 VAL HA 1 41 THR H 5.000 . 5.000 4.533 3.961 4.772 . 0 0 "[ . 1]" 1
296 1 38 PHE HA 1 38 PHE QB 2.800 . 2.800 2.459 2.143 2.530 . 0 0 "[ . 1]" 1
297 1 38 PHE H 1 38 PHE QB 2.800 . 2.800 2.096 2.040 2.262 . 0 0 "[ . 1]" 1
298 1 38 PHE H 1 38 PHE QD 5.000 . 5.000 3.599 2.926 4.153 . 0 0 "[ . 1]" 1
299 1 38 PHE HA 1 39 PHE H 5.000 . 5.000 3.590 3.577 3.602 . 0 0 "[ . 1]" 1
300 1 38 PHE QB 1 39 PHE H 3.800 . 3.800 2.401 2.202 3.070 . 0 0 "[ . 1]" 1
301 1 38 PHE H 1 39 PHE H 5.000 . 5.000 2.903 2.760 2.985 . 0 0 "[ . 1]" 1
302 1 38 PHE HA 1 41 THR HB 5.000 . 5.000 3.230 3.097 3.373 . 0 0 "[ . 1]" 1
303 1 38 PHE HA 1 41 THR MG 5.000 . 5.000 4.448 4.259 4.606 . 0 0 "[ . 1]" 1
304 1 38 PHE HA 1 41 THR H 5.000 . 5.000 3.631 3.498 3.797 . 0 0 "[ . 1]" 1
305 1 38 PHE QB 1 41 THR HB 5.000 . 5.000 4.998 4.847 5.095 0.095 9 0 "[ . 1]" 1
306 1 38 PHE QB 1 41 THR H 5.000 . 5.000 4.883 4.737 5.036 0.036 3 0 "[ . 1]" 1
307 1 38 PHE HA 1 42 LEU H 5.000 . 5.000 3.975 3.459 4.145 . 0 0 "[ . 1]" 1
308 1 38 PHE QB 1 42 LEU QD 5.000 . 5.000 3.103 2.292 4.185 . 0 0 "[ . 1]" 1
309 1 38 PHE QD 1 42 LEU QD 5.000 . 5.000 2.401 1.824 3.525 . 0 0 "[ . 1]" 1
310 1 38 PHE QE 1 42 LEU QD 5.000 . 5.000 2.843 1.821 3.354 . 0 0 "[ . 1]" 1
311 1 38 PHE HZ 1 42 LEU QD 5.000 . 5.000 4.156 2.573 5.005 0.005 7 0 "[ . 1]" 1
312 1 39 PHE HA 1 39 PHE QB 2.800 . 2.800 2.437 2.166 2.537 . 0 0 "[ . 1]" 1
313 1 39 PHE H 1 39 PHE QB 3.800 . 3.800 2.142 2.075 2.211 . 0 0 "[ . 1]" 1
314 1 39 PHE H 1 39 PHE QD 5.000 . 5.000 3.927 3.395 4.149 . 0 0 "[ . 1]" 1
315 1 39 PHE HA 1 40 GLY H 5.000 . 5.000 3.554 3.531 3.580 . 0 0 "[ . 1]" 1
316 1 39 PHE HA 1 40 GLY QA 5.000 . 5.000 4.493 4.479 4.509 . 0 0 "[ . 1]" 1
317 1 39 PHE QB 1 40 GLY QA 5.000 . 5.000 3.702 3.559 4.293 . 0 0 "[ . 1]" 1
318 1 39 PHE QB 1 40 GLY H 5.000 . 5.000 2.649 2.501 3.056 . 0 0 "[ . 1]" 1
319 1 39 PHE H 1 40 GLY QA 5.000 . 5.000 4.617 4.486 4.784 . 0 0 "[ . 1]" 1
320 1 39 PHE H 1 40 GLY H 5.000 . 5.000 2.777 2.614 3.000 . 0 0 "[ . 1]" 1
321 1 39 PHE HA 1 41 THR H 5.000 . 5.000 4.026 3.912 4.410 . 0 0 "[ . 1]" 1
322 1 39 PHE H 1 41 THR H 5.000 . 5.000 4.162 3.955 4.520 . 0 0 "[ . 1]" 1
323 1 39 PHE HA 1 42 LEU HA 5.000 . 5.000 5.036 4.864 5.082 0.082 2 0 "[ . 1]" 1
324 1 39 PHE HA 1 42 LEU QD 5.000 . 5.000 2.615 1.938 3.325 . 0 0 "[ . 1]" 1
325 1 39 PHE HA 1 42 LEU HG 5.000 . 5.000 3.025 2.515 3.667 . 0 0 "[ . 1]" 1
326 1 39 PHE HA 1 42 LEU QB 5.000 . 5.000 2.432 2.163 2.577 . 0 0 "[ . 1]" 1
327 1 39 PHE HA 1 42 LEU H 5.000 . 5.000 3.218 3.121 3.608 . 0 0 "[ . 1]" 1
328 1 39 PHE QB 1 42 LEU QD 5.000 . 5.000 3.886 3.170 4.673 . 0 0 "[ . 1]" 1
329 1 39 PHE QB 1 42 LEU H 5.000 . 5.000 4.918 4.847 5.133 0.133 10 0 "[ . 1]" 1
330 1 39 PHE QD 1 42 LEU QD 5.000 . 5.000 3.554 2.373 4.372 . 0 0 "[ . 1]" 1
331 1 39 PHE H 1 42 LEU QB 5.000 . 5.000 4.724 3.749 5.021 0.021 3 0 "[ . 1]" 1
332 1 39 PHE H 1 42 LEU HG 5.000 . 5.000 4.652 3.947 5.113 0.113 9 0 "[ . 1]" 1
333 1 39 PHE HA 1 43 LEU H 5.000 . 5.000 3.429 2.887 3.616 . 0 0 "[ . 1]" 1
334 1 39 PHE QB 1 43 LEU QD 5.000 . 5.000 4.334 3.679 5.018 0.018 3 0 "[ . 1]" 1
335 1 39 PHE QD 1 43 LEU QB 5.000 . 5.000 2.881 2.241 3.601 . 0 0 "[ . 1]" 1
336 1 39 PHE QD 1 43 LEU QD 5.000 . 5.000 3.392 2.327 4.150 . 0 0 "[ . 1]" 1
337 1 40 GLY QA 1 41 THR H 5.000 . 5.000 2.747 2.619 2.802 . 0 0 "[ . 1]" 1
338 1 40 GLY H 1 41 THR H 5.000 . 5.000 2.722 2.644 2.881 . 0 0 "[ . 1]" 1
339 1 40 GLY H 1 42 LEU H 5.000 . 5.000 4.307 4.232 4.427 . 0 0 "[ . 1]" 1
340 1 40 GLY QA 1 43 LEU HG 5.000 . 5.000 4.614 3.736 4.979 . 0 0 "[ . 1]" 1
341 1 40 GLY QA 1 43 LEU QB 5.000 . 5.000 3.350 3.123 3.811 . 0 0 "[ . 1]" 1
342 1 40 GLY QA 1 43 LEU QD 5.000 . 5.000 2.276 2.087 2.618 . 0 0 "[ . 1]" 1
343 1 40 GLY QA 1 43 LEU H 5.000 . 5.000 3.850 3.720 4.139 . 0 0 "[ . 1]" 1
344 1 40 GLY H 1 43 LEU H 5.000 . 5.000 4.733 4.612 4.783 . 0 0 "[ . 1]" 1
345 1 40 GLY H 1 43 LEU QB 5.000 . 5.000 4.754 4.613 4.889 . 0 0 "[ . 1]" 1
346 1 40 GLY H 1 43 LEU QD 5.000 . 5.000 4.271 3.931 4.725 . 0 0 "[ . 1]" 1
347 1 41 THR HA 1 42 LEU H 5.000 . 5.000 3.558 3.531 3.574 . 0 0 "[ . 1]" 1
348 1 41 THR HB 1 42 LEU H 5.000 . 5.000 2.382 2.191 2.490 . 0 0 "[ . 1]" 1
349 1 41 THR MG 1 42 LEU HA 5.000 . 5.000 3.655 3.464 3.874 . 0 0 "[ . 1]" 1
350 1 41 THR MG 1 42 LEU H 5.000 . 5.000 3.484 3.255 3.663 . 0 0 "[ . 1]" 1
351 1 41 THR H 1 42 LEU H 5.000 . 5.000 2.453 2.416 2.527 . 0 0 "[ . 1]" 1
352 1 41 THR MG 1 43 LEU H 5.000 . 5.000 5.012 4.962 5.035 0.035 7 0 "[ . 1]" 1
353 1 41 THR H 1 43 LEU QB 5.000 . 5.000 4.882 4.743 5.030 0.030 10 0 "[ . 1]" 1
354 1 41 THR H 1 43 LEU QD 5.000 . 5.000 4.017 3.868 4.223 . 0 0 "[ . 1]" 1
355 1 41 THR HA 1 44 LEU QB 3.800 . 3.800 2.443 2.239 2.587 . 0 0 "[ . 1]" 1
356 1 41 THR HA 1 44 LEU QD 5.000 . 5.000 3.194 3.033 3.483 . 0 0 "[ . 1]" 1
357 1 41 THR HA 1 44 LEU HG 5.000 . 5.000 4.918 4.675 5.022 0.022 9 0 "[ . 1]" 1
358 1 41 THR HA 1 44 LEU H 5.000 . 5.000 3.212 3.134 3.307 . 0 0 "[ . 1]" 1
359 1 41 THR HB 1 44 LEU H 5.000 . 5.000 5.102 5.079 5.125 0.125 8 0 "[ . 1]" 1
360 1 41 THR MG 1 44 LEU QB 5.000 . 5.000 3.455 3.306 3.652 . 0 0 "[ . 1]" 1
361 1 41 THR MG 1 44 LEU H 5.000 . 5.000 4.379 4.275 4.454 . 0 0 "[ . 1]" 1
362 1 41 THR H 1 44 LEU QB 5.000 . 5.000 4.523 4.385 4.596 . 0 0 "[ . 1]" 1
363 1 41 THR HB 1 45 ILE MD 5.000 . 5.000 4.220 4.032 4.474 . 0 0 "[ . 1]" 1
364 1 41 THR MG 1 45 ILE MD 2.800 . 2.800 1.990 1.925 2.120 . 0 0 "[ . 1]" 1
365 1 41 THR MG 1 45 ILE QG 3.800 . 3.800 3.333 3.056 3.465 . 0 0 "[ . 1]" 1
366 1 42 LEU H 1 42 LEU QD 5.000 . 5.000 2.924 2.056 3.712 . 0 0 "[ . 1]" 1
367 1 42 LEU H 1 42 LEU HG 5.000 . 5.000 2.544 1.979 4.082 . 0 0 "[ . 1]" 1
368 1 42 LEU HA 1 43 LEU QD 5.000 . 5.000 5.059 5.026 5.089 0.089 7 0 "[ . 1]" 1
369 1 42 LEU HA 1 43 LEU H 5.000 . 5.000 3.508 3.490 3.525 . 0 0 "[ . 1]" 1
370 1 42 LEU QB 1 43 LEU QB 3.800 . 3.800 3.864 3.803 4.030 0.230 9 0 "[ . 1]" 1
371 1 42 LEU QB 1 43 LEU H 5.000 . 5.000 2.686 2.617 2.760 . 0 0 "[ . 1]" 1
372 1 42 LEU QD 1 43 LEU H 5.000 . 5.000 3.871 3.256 4.119 . 0 0 "[ . 1]" 1
373 1 42 LEU HG 1 43 LEU H 5.000 . 5.000 3.965 2.713 4.483 . 0 0 "[ . 1]" 1
374 1 42 LEU H 1 43 LEU H 5.000 . 5.000 2.735 2.653 2.862 . 0 0 "[ . 1]" 1
375 1 42 LEU H 1 44 LEU H 5.000 . 5.000 3.904 3.816 3.984 . 0 0 "[ . 1]" 1
376 1 42 LEU HA 1 45 ILE QG 5.000 . 5.000 5.021 5.004 5.042 0.042 9 0 "[ . 1]" 1
377 1 42 LEU HA 1 45 ILE H 5.000 . 5.000 3.463 3.359 3.694 . 0 0 "[ . 1]" 1
378 1 42 LEU HA 1 45 ILE HB 3.800 . 3.800 3.093 3.057 3.154 . 0 0 "[ . 1]" 1
379 1 42 LEU HA 1 45 ILE MD 5.000 . 5.000 3.997 3.821 4.228 . 0 0 "[ . 1]" 1
380 1 42 LEU HA 1 45 ILE MG 5.000 . 5.000 3.912 3.774 4.006 . 0 0 "[ . 1]" 1
381 1 42 LEU QB 1 45 ILE MG 5.000 . 5.000 5.103 5.072 5.140 0.140 10 0 "[ . 1]" 1
382 1 42 LEU QD 1 45 ILE HB 5.000 . 5.000 4.191 3.759 4.475 . 0 0 "[ . 1]" 1
383 1 42 LEU H 1 45 ILE MD 5.000 . 5.000 5.005 4.981 5.017 0.017 9 0 "[ . 1]" 1
384 1 42 LEU HA 1 46 GLY H 5.000 . 5.000 2.967 2.815 3.211 . 0 0 "[ . 1]" 1
385 1 43 LEU H 1 43 LEU QD 5.000 . 5.000 2.546 2.403 2.712 . 0 0 "[ . 1]" 1
386 1 43 LEU H 1 43 LEU HG 5.000 . 5.000 4.248 4.170 4.324 . 0 0 "[ . 1]" 1
387 1 43 LEU HA 1 44 LEU H 5.000 . 5.000 3.506 3.490 3.524 . 0 0 "[ . 1]" 1
388 1 43 LEU QB 1 44 LEU H 5.000 . 5.000 3.292 3.198 3.359 . 0 0 "[ . 1]" 1
389 1 43 LEU QD 1 44 LEU H 5.000 . 5.000 1.914 1.863 1.955 . 0 0 "[ . 1]" 1
390 1 43 LEU HG 1 44 LEU QD 3.800 . 3.800 3.749 3.546 3.921 0.121 3 0 "[ . 1]" 1
391 1 43 LEU H 1 44 LEU QD 5.000 . 5.000 4.957 4.589 5.042 0.042 2 0 "[ . 1]" 1
392 1 43 LEU H 1 44 LEU H 3.800 . 3.800 2.427 2.394 2.494 . 0 0 "[ . 1]" 1
393 1 43 LEU H 1 45 ILE H 5.000 . 5.000 4.181 4.097 4.242 . 0 0 "[ . 1]" 1
394 1 43 LEU HA 1 46 GLY QA 5.000 . 5.000 3.942 3.813 4.048 . 0 0 "[ . 1]" 1
395 1 43 LEU HA 1 46 GLY H 5.000 . 5.000 3.912 3.786 4.040 . 0 0 "[ . 1]" 1
396 1 43 LEU HA 1 47 PHE H 5.000 . 5.000 3.246 2.896 3.504 . 0 0 "[ . 1]" 1
397 1 43 LEU QB 1 47 PHE QB 5.000 . 5.000 3.710 3.561 3.943 . 0 0 "[ . 1]" 1
398 1 43 LEU HG 1 47 PHE QB 5.000 . 5.000 3.586 3.126 4.794 . 0 0 "[ . 1]" 1
399 1 43 LEU H 1 47 PHE QB 5.000 . 5.000 5.156 5.104 5.244 0.244 7 0 "[ . 1]" 1
400 1 44 LEU HA 1 44 LEU QD 2.800 . 2.800 1.812 1.779 1.876 0.021 3 0 "[ . 1]" 1
401 1 44 LEU QB 1 44 LEU QD 2.800 . 2.800 1.944 1.894 1.992 . 0 0 "[ . 1]" 1
402 1 44 LEU QB 1 44 LEU HG 2.800 . 2.800 2.247 2.154 2.310 . 0 0 "[ . 1]" 1
403 1 44 LEU H 1 44 LEU QB 3.800 . 3.800 2.135 2.061 2.169 . 0 0 "[ . 1]" 1
404 1 44 LEU H 1 44 LEU QD 5.000 . 5.000 3.356 3.094 3.441 . 0 0 "[ . 1]" 1
405 1 44 LEU H 1 44 LEU HG 5.000 . 5.000 4.649 4.519 4.711 . 0 0 "[ . 1]" 1
406 1 44 LEU HA 1 45 ILE H 5.000 . 5.000 3.532 3.514 3.545 . 0 0 "[ . 1]" 1
407 1 44 LEU QB 1 45 ILE H 5.000 . 5.000 2.484 2.364 2.639 . 0 0 "[ . 1]" 1
408 1 44 LEU QD 1 45 ILE H 5.000 . 5.000 4.040 3.970 4.139 . 0 0 "[ . 1]" 1
409 1 44 LEU HG 1 45 ILE H 5.000 . 5.000 4.507 4.328 4.812 . 0 0 "[ . 1]" 1
410 1 44 LEU H 1 45 ILE H 5.000 . 5.000 2.576 2.536 2.602 . 0 0 "[ . 1]" 1
411 1 44 LEU H 1 46 GLY H 5.000 . 5.000 4.022 3.937 4.154 . 0 0 "[ . 1]" 1
412 1 44 LEU HA 1 47 PHE QB 3.800 . 3.800 3.377 2.995 3.552 . 0 0 "[ . 1]" 1
413 1 44 LEU HA 1 47 PHE H 5.000 . 5.000 4.158 4.035 4.267 . 0 0 "[ . 1]" 1
414 1 44 LEU QD 1 47 PHE H 5.000 . 5.000 5.067 4.940 5.098 0.098 4 0 "[ . 1]" 1
415 1 44 LEU QD 1 47 PHE QB 5.000 . 5.000 3.988 3.834 4.065 . 0 0 "[ . 1]" 1
416 1 44 LEU QD 1 47 PHE QD 5.000 . 5.000 4.702 3.830 4.991 . 0 0 "[ . 1]" 1
417 1 44 LEU H 1 47 PHE QB 5.000 . 5.000 4.492 4.338 4.530 . 0 0 "[ . 1]" 1
418 1 44 LEU H 1 47 PHE H 5.000 . 5.000 4.394 4.330 4.469 . 0 0 "[ . 1]" 1
419 1 44 LEU HA 1 48 PHE H 5.000 . 5.000 4.316 4.137 4.557 . 0 0 "[ . 1]" 1
420 1 44 LEU QB 1 48 PHE QD 5.000 . 5.000 4.634 4.044 5.023 0.023 6 0 "[ . 1]" 1
421 1 44 LEU QD 1 48 PHE QD 3.800 . 3.800 3.377 2.798 3.828 0.028 3 0 "[ . 1]" 1
422 1 44 LEU QD 1 48 PHE QE 5.000 . 5.000 3.396 2.358 4.958 . 0 0 "[ . 1]" 1
423 1 44 LEU HG 1 48 PHE QB 5.000 . 5.000 4.871 4.618 5.036 0.036 4 0 "[ . 1]" 1
424 1 44 LEU HG 1 48 PHE QD 5.000 . 5.000 3.844 3.024 4.462 . 0 0 "[ . 1]" 1
425 1 45 ILE H 1 45 ILE HB 3.800 . 3.800 2.250 2.177 2.283 . 0 0 "[ . 1]" 1
426 1 45 ILE MD 1 45 ILE MG 2.800 . 2.800 2.263 1.909 2.398 . 0 0 "[ . 1]" 1
427 1 45 ILE H 1 45 ILE MD 5.000 . 5.000 3.476 3.380 3.684 . 0 0 "[ . 1]" 1
428 1 45 ILE H 1 45 ILE QG 5.000 . 5.000 2.861 2.698 3.066 . 0 0 "[ . 1]" 1
429 1 45 ILE HB 1 46 GLY H 5.000 . 5.000 2.616 2.489 2.717 . 0 0 "[ . 1]" 1
430 1 45 ILE MD 1 46 GLY H 5.000 . 5.000 4.437 4.380 4.557 . 0 0 "[ . 1]" 1
431 1 45 ILE MG 1 46 GLY QA 5.000 . 5.000 2.932 2.814 3.014 . 0 0 "[ . 1]" 1
432 1 45 ILE MG 1 46 GLY H 5.000 . 5.000 2.882 2.716 3.050 . 0 0 "[ . 1]" 1
433 1 45 ILE H 1 46 GLY QA 5.000 . 5.000 4.349 4.288 4.415 . 0 0 "[ . 1]" 1
434 1 45 ILE HB 1 47 PHE H 5.000 . 5.000 4.847 4.733 5.005 0.005 9 0 "[ . 1]" 1
435 1 45 ILE H 1 47 PHE H 5.000 . 5.000 3.727 3.607 3.914 . 0 0 "[ . 1]" 1
436 1 45 ILE HA 1 48 PHE QB 5.000 . 5.000 2.497 2.307 2.656 . 0 0 "[ . 1]" 1
437 1 45 ILE HA 1 48 PHE H 5.000 . 5.000 3.317 3.207 3.533 . 0 0 "[ . 1]" 1
438 1 45 ILE QG 1 48 PHE QB 5.000 . 5.000 4.014 3.856 4.093 . 0 0 "[ . 1]" 1
439 1 45 ILE MG 1 48 PHE H 5.000 . 5.000 4.423 4.291 4.538 . 0 0 "[ . 1]" 1
440 1 45 ILE MG 1 48 PHE QB 3.800 . 3.800 3.904 3.866 3.941 0.141 1 0 "[ . 1]" 1
441 1 45 ILE H 1 48 PHE QB 5.000 . 5.000 4.534 4.446 4.761 . 0 0 "[ . 1]" 1
442 1 45 ILE HA 1 49 ARG H 5.000 . 5.000 3.817 3.494 4.143 . 0 0 "[ . 1]" 1
443 1 45 ILE MG 1 49 ARG HA 5.000 . 5.000 4.844 4.681 5.002 0.002 9 0 "[ . 1]" 1
444 1 45 ILE MG 1 49 ARG H 5.000 . 5.000 3.697 3.473 3.955 . 0 0 "[ . 1]" 1
445 1 45 ILE MG 1 49 ARG HE 5.000 . 5.000 4.967 4.403 5.104 0.104 8 0 "[ . 1]" 1
446 1 45 ILE MG 1 49 ARG QG 3.800 . 3.800 3.135 2.731 3.566 . 0 0 "[ . 1]" 1
447 1 46 GLY QA 1 47 PHE H 5.000 . 5.000 2.782 2.676 2.838 . 0 0 "[ . 1]" 1
448 1 46 GLY H 1 47 PHE HA 5.000 . 5.000 5.169 5.126 5.192 0.192 10 0 "[ . 1]" 1
449 1 46 GLY H 1 47 PHE QB 5.000 . 5.000 4.385 4.311 4.441 . 0 0 "[ . 1]" 1
450 1 46 GLY H 1 47 PHE H 5.000 . 5.000 2.586 2.513 2.631 . 0 0 "[ . 1]" 1
451 1 46 GLY H 1 48 PHE H 5.000 . 5.000 3.980 3.844 4.077 . 0 0 "[ . 1]" 1
452 1 46 GLY QA 1 49 ARG H 5.000 . 5.000 3.439 3.183 3.686 . 0 0 "[ . 1]" 1
453 1 46 GLY QA 1 49 ARG QB 5.000 . 5.000 3.419 3.012 3.684 . 0 0 "[ . 1]" 1
454 1 46 GLY QA 1 50 VAL H 5.000 . 5.000 3.975 3.852 4.174 . 0 0 "[ . 1]" 1
455 1 47 PHE HA 1 47 PHE QB 2.800 . 2.800 2.422 2.300 2.465 . 0 0 "[ . 1]" 1
456 1 47 PHE H 1 47 PHE QB 2.800 . 2.800 2.274 2.215 2.334 . 0 0 "[ . 1]" 1
457 1 47 PHE H 1 47 PHE QD 5.000 . 5.000 4.171 4.098 4.197 . 0 0 "[ . 1]" 1
458 1 47 PHE QD 1 48 PHE H 5.000 . 5.000 4.175 3.505 4.451 . 0 0 "[ . 1]" 1
459 1 47 PHE H 1 49 ARG QG 5.000 . 5.000 4.360 4.057 4.576 . 0 0 "[ . 1]" 1
460 1 47 PHE HA 1 50 VAL HB 5.000 . 5.000 3.959 2.766 4.899 . 0 0 "[ . 1]" 1
461 1 47 PHE HA 1 50 VAL QG 5.000 . 5.000 2.205 1.826 3.210 . 0 0 "[ . 1]" 1
462 1 47 PHE HA 1 50 VAL H 5.000 . 5.000 3.530 3.391 3.688 . 0 0 "[ . 1]" 1
463 1 47 PHE HA 1 51 VAL H 5.000 . 5.000 4.261 3.861 4.577 . 0 0 "[ . 1]" 1
464 1 47 PHE QD 1 51 VAL QG 5.000 . 5.000 3.127 2.160 4.593 . 0 0 "[ . 1]" 1
465 1 47 PHE QE 1 51 VAL QG 5.000 . 5.000 3.222 2.449 4.512 . 0 0 "[ . 1]" 1
466 1 48 PHE H 1 48 PHE QB 3.800 . 3.800 2.123 2.066 2.183 . 0 0 "[ . 1]" 1
467 1 48 PHE H 1 48 PHE QD 5.000 . 5.000 3.482 2.544 4.066 . 0 0 "[ . 1]" 1
468 1 48 PHE HA 1 49 ARG H 5.000 . 5.000 3.500 3.485 3.543 . 0 0 "[ . 1]" 1
469 1 48 PHE QB 1 49 ARG HA 5.000 . 5.000 3.801 3.637 3.882 . 0 0 "[ . 1]" 1
470 1 48 PHE QB 1 49 ARG H 5.000 . 5.000 2.752 2.471 2.845 . 0 0 "[ . 1]" 1
471 1 48 PHE H 1 49 ARG HA 5.000 . 5.000 5.068 5.040 5.123 0.123 4 0 "[ . 1]" 1
472 1 48 PHE H 1 49 ARG H 5.000 . 5.000 2.439 2.399 2.537 . 0 0 "[ . 1]" 1
473 1 48 PHE HA 1 50 VAL QG 5.000 . 5.000 4.525 4.069 5.106 0.106 8 0 "[ . 1]" 1
474 1 48 PHE H 1 50 VAL QG 5.000 . 5.000 4.184 3.791 4.964 . 0 0 "[ . 1]" 1
475 1 48 PHE HA 1 51 VAL H 5.000 . 5.000 3.513 3.327 3.668 . 0 0 "[ . 1]" 1
476 1 48 PHE HA 1 51 VAL HB 3.800 . 3.800 3.072 2.921 3.329 . 0 0 "[ . 1]" 1
477 1 48 PHE HA 1 51 VAL QG 5.000 . 5.000 2.865 2.480 3.315 . 0 0 "[ . 1]" 1
478 1 48 PHE QB 1 51 VAL HB 5.000 . 5.000 4.971 4.838 5.040 0.040 7 0 "[ . 1]" 1
479 1 48 PHE QB 1 51 VAL QG 5.000 . 5.000 4.377 3.558 4.773 . 0 0 "[ . 1]" 1
480 1 48 PHE QB 1 51 VAL H 5.000 . 5.000 4.949 4.733 5.031 0.031 1 0 "[ . 1]" 1
481 1 48 PHE QD 1 51 VAL QG 5.000 . 5.000 3.759 2.342 4.426 . 0 0 "[ . 1]" 1
482 1 48 PHE H 1 51 VAL QG 5.000 . 5.000 4.501 4.273 4.828 . 0 0 "[ . 1]" 1
483 1 48 PHE HA 1 52 GLY H 5.000 . 5.000 4.783 4.206 5.025 0.025 3 0 "[ . 1]" 1
484 1 49 ARG HA 1 49 ARG QD 3.800 . 3.800 3.712 3.446 3.835 0.035 8 0 "[ . 1]" 1
485 1 49 ARG H 1 49 ARG QG 5.000 . 5.000 2.527 2.240 2.686 . 0 0 "[ . 1]" 1
486 1 49 ARG HA 1 50 VAL QG 5.000 . 5.000 4.579 4.365 4.978 . 0 0 "[ . 1]" 1
487 1 49 ARG HA 1 50 VAL H 5.000 . 5.000 3.487 3.468 3.512 . 0 0 "[ . 1]" 1
488 1 49 ARG QB 1 50 VAL HA 5.000 . 5.000 4.582 4.474 4.663 . 0 0 "[ . 1]" 1
489 1 49 ARG QB 1 50 VAL H 5.000 . 5.000 3.555 3.518 3.617 . 0 0 "[ . 1]" 1
490 1 49 ARG QB 1 50 VAL QG 5.000 . 5.000 4.050 3.756 4.549 . 0 0 "[ . 1]" 1
491 1 49 ARG QD 1 50 VAL HA 5.000 . 5.000 3.047 2.645 3.682 . 0 0 "[ . 1]" 1
492 1 49 ARG QD 1 50 VAL QG 5.000 . 5.000 2.695 1.887 3.472 . 0 0 "[ . 1]" 1
493 1 49 ARG QD 1 50 VAL H 5.000 . 5.000 3.418 3.050 3.901 . 0 0 "[ . 1]" 1
494 1 49 ARG H 1 50 VAL QG 5.000 . 5.000 3.703 3.367 4.667 . 0 0 "[ . 1]" 1
495 1 49 ARG H 1 50 VAL H 5.000 . 5.000 2.512 2.428 2.668 . 0 0 "[ . 1]" 1
496 1 49 ARG HA 1 51 VAL H 5.000 . 5.000 4.309 4.241 4.462 . 0 0 "[ . 1]" 1
497 1 49 ARG H 1 51 VAL H 5.000 . 5.000 4.025 3.893 4.293 . 0 0 "[ . 1]" 1
498 1 49 ARG HA 1 53 ARG H 5.000 . 5.000 4.942 4.789 5.010 0.010 10 0 "[ . 1]" 1
499 1 49 ARG HE 1 53 ARG QB 5.000 . 5.000 4.770 4.465 5.058 0.058 8 0 "[ . 1]" 1
500 1 49 ARG HE 1 53 ARG QD 5.000 . 5.000 4.442 3.394 5.008 0.008 8 0 "[ . 1]" 1
501 1 50 VAL HA 1 50 VAL QG 2.800 . 2.800 2.217 2.013 2.350 . 0 0 "[ . 1]" 1
502 1 50 VAL H 1 50 VAL HB 3.800 . 3.800 3.011 2.128 3.656 . 0 0 "[ . 1]" 1
503 1 50 VAL HA 1 51 VAL QG 5.000 . 5.000 4.719 4.574 4.925 . 0 0 "[ . 1]" 1
504 1 50 VAL HA 1 51 VAL H 5.000 . 5.000 3.509 3.488 3.549 . 0 0 "[ . 1]" 1
505 1 50 VAL HB 1 51 VAL QG 5.000 . 5.000 4.123 2.987 4.865 . 0 0 "[ . 1]" 1
506 1 50 VAL HB 1 51 VAL H 5.000 . 5.000 3.497 2.438 4.080 . 0 0 "[ . 1]" 1
507 1 50 VAL QG 1 51 VAL HA 5.000 . 5.000 3.349 2.882 3.846 . 0 0 "[ . 1]" 1
508 1 50 VAL QG 1 51 VAL QG 5.000 . 5.000 2.759 2.003 4.212 . 0 0 "[ . 1]" 1
509 1 50 VAL QG 1 51 VAL H 5.000 . 5.000 2.550 1.992 3.392 . 0 0 "[ . 1]" 1
510 1 50 VAL H 1 51 VAL HA 5.000 . 5.000 5.052 5.026 5.139 0.139 8 0 "[ . 1]" 1
511 1 50 VAL H 1 51 VAL QG 5.000 . 5.000 3.928 3.726 4.274 . 0 0 "[ . 1]" 1
512 1 50 VAL H 1 51 VAL H 5.000 . 5.000 2.439 2.396 2.546 . 0 0 "[ . 1]" 1
513 1 50 VAL QG 1 52 GLY H 5.000 . 5.000 4.071 3.828 4.413 . 0 0 "[ . 1]" 1
514 1 50 VAL H 1 52 GLY H 5.000 . 5.000 3.890 3.791 4.048 . 0 0 "[ . 1]" 1
515 1 50 VAL HA 1 53 ARG QB 5.000 . 5.000 2.730 2.180 3.571 . 0 0 "[ . 1]" 1
516 1 50 VAL HA 1 53 ARG QG 5.000 . 5.000 4.305 2.795 5.016 0.016 7 0 "[ . 1]" 1
517 1 50 VAL HA 1 53 ARG H 5.000 . 5.000 3.126 2.791 3.508 . 0 0 "[ . 1]" 1
518 1 50 VAL HA 1 53 ARG HA 5.000 . 5.000 5.049 4.909 5.192 0.192 7 0 "[ . 1]" 1
519 1 50 VAL HB 1 53 ARG H 5.000 . 5.000 5.068 5.006 5.161 0.161 4 0 "[ . 1]" 1
520 1 50 VAL QG 1 53 ARG QB 5.000 . 5.000 3.730 2.988 4.492 . 0 0 "[ . 1]" 1
521 1 50 VAL HA 1 54 MET H 5.000 . 5.000 4.166 1.934 5.008 0.008 8 0 "[ . 1]" 1
522 1 50 VAL QG 1 54 MET QG 5.000 . 5.000 3.235 2.416 4.780 . 0 0 "[ . 1]" 1
523 1 51 VAL H 1 51 VAL HB 3.800 . 3.800 2.497 2.252 2.692 . 0 0 "[ . 1]" 1
524 1 51 VAL HA 1 52 GLY H 5.000 . 5.000 3.406 3.292 3.480 . 0 0 "[ . 1]" 1
525 1 51 VAL HB 1 52 GLY QA 5.000 . 5.000 4.277 3.913 5.058 0.058 2 0 "[ . 1]" 1
526 1 51 VAL HB 1 52 GLY H 5.000 . 5.000 3.314 2.852 3.859 . 0 0 "[ . 1]" 1
527 1 51 VAL QG 1 52 GLY QA 5.000 . 5.000 3.401 2.820 3.707 . 0 0 "[ . 1]" 1
528 1 51 VAL QG 1 52 GLY H 5.000 . 5.000 3.229 2.057 3.614 . 0 0 "[ . 1]" 1
529 1 51 VAL H 1 52 GLY H 3.800 . 3.800 2.545 2.405 2.662 . 0 0 "[ . 1]" 1
530 1 51 VAL H 1 53 ARG H 5.000 . 5.000 3.954 3.844 4.112 . 0 0 "[ . 1]" 1
531 1 51 VAL HA 1 54 MET H 5.000 . 5.000 4.265 3.702 4.682 . 0 0 "[ . 1]" 1
532 1 51 VAL HA 1 54 MET QB 5.000 . 5.000 4.627 4.312 5.099 0.099 7 0 "[ . 1]" 1
533 1 51 VAL QG 1 54 MET QB 5.000 . 5.000 5.022 4.908 5.091 0.091 4 0 "[ . 1]" 1
534 1 51 VAL QG 1 54 MET H 5.000 . 5.000 4.857 4.357 5.153 0.153 10 0 "[ . 1]" 1
535 1 51 VAL HA 1 55 LEU H 5.000 . 5.000 5.069 5.042 5.091 0.091 7 0 "[ . 1]" 1
536 1 52 GLY QA 1 53 ARG H 5.000 . 5.000 2.911 2.857 2.942 . 0 0 "[ . 1]" 1
537 1 52 GLY H 1 53 ARG H 5.000 . 5.000 2.258 2.024 2.574 . 0 0 "[ . 1]" 1
538 1 52 GLY H 1 54 MET H 5.000 . 5.000 4.113 3.375 4.709 . 0 0 "[ . 1]" 1
539 1 52 GLY QA 1 55 LEU QB 5.000 . 5.000 3.992 3.495 4.501 . 0 0 "[ . 1]" 1
540 1 52 GLY QA 1 55 LEU QD 5.000 . 5.000 4.489 3.814 4.793 . 0 0 "[ . 1]" 1
541 1 53 ARG HA 1 53 ARG QD 5.000 . 5.000 3.614 2.063 4.026 . 0 0 "[ . 1]" 1
542 1 53 ARG H 1 53 ARG QB 3.800 . 3.800 2.593 2.355 2.920 . 0 0 "[ . 1]" 1
543 1 53 ARG H 1 53 ARG QD 5.000 . 5.000 4.760 4.439 5.031 0.031 10 0 "[ . 1]" 1
544 1 53 ARG H 1 53 ARG QG 5.000 . 5.000 3.802 3.015 4.267 . 0 0 "[ . 1]" 1
545 1 53 ARG HA 1 54 MET H 5.000 . 5.000 3.094 2.679 3.497 . 0 0 "[ . 1]" 1
546 1 53 ARG QB 1 54 MET H 5.000 . 5.000 3.489 2.403 3.909 . 0 0 "[ . 1]" 1
547 1 53 ARG H 1 54 MET HA 5.000 . 5.000 4.770 4.399 5.016 0.016 4 0 "[ . 1]" 1
548 1 53 ARG H 1 54 MET H 5.000 . 5.000 2.271 1.870 2.808 . 0 0 "[ . 1]" 1
549 1 53 ARG H 1 55 LEU H 5.000 . 5.000 4.127 3.705 4.474 . 0 0 "[ . 1]" 1
550 1 53 ARG HA 1 56 PRO QG 5.000 . 5.000 4.949 4.430 5.027 0.027 1 0 "[ . 1]" 1
551 1 54 MET H 1 54 MET QB 3.800 . 3.800 2.921 2.499 3.364 . 0 0 "[ . 1]" 1
552 1 54 MET H 1 54 MET QG 5.000 . 5.000 3.552 2.491 4.325 . 0 0 "[ . 1]" 1
553 1 54 MET QB 1 55 LEU QD 5.000 . 5.000 4.002 3.101 5.029 0.029 9 0 "[ . 1]" 1
554 1 54 MET QB 1 55 LEU H 5.000 . 5.000 3.860 3.773 3.972 . 0 0 "[ . 1]" 1
555 1 54 MET H 1 55 LEU QB 5.000 . 5.000 3.395 3.203 3.822 . 0 0 "[ . 1]" 1
556 1 54 MET H 1 55 LEU QD 5.000 . 5.000 4.318 3.902 4.687 . 0 0 "[ . 1]" 1
557 1 54 MET HA 1 56 PRO QD 5.000 . 5.000 4.345 4.024 4.548 . 0 0 "[ . 1]" 1
558 1 54 MET H 1 56 PRO QD 5.000 . 5.000 2.881 2.544 3.852 . 0 0 "[ . 1]" 1
559 1 54 MET HA 1 57 ILE HB 5.000 . 5.000 4.993 4.712 5.052 0.052 7 0 "[ . 1]" 1
560 1 54 MET HA 1 57 ILE MD 5.000 . 5.000 1.854 1.794 2.060 0.006 2 0 "[ . 1]" 1
561 1 54 MET HA 1 57 ILE QG 5.000 . 5.000 3.760 3.403 4.146 . 0 0 "[ . 1]" 1
562 1 54 MET HA 1 57 ILE MG 5.000 . 5.000 2.514 2.214 2.681 . 0 0 "[ . 1]" 1
563 1 54 MET QB 1 57 ILE MG 5.000 . 5.000 4.158 3.868 4.416 . 0 0 "[ . 1]" 1
564 1 54 MET HA 1 58 GLN H 5.000 . 5.000 4.375 3.869 5.001 0.001 1 0 "[ . 1]" 1
565 1 54 MET QB 1 58 GLN QG 5.000 . 5.000 5.028 5.004 5.057 0.057 10 0 "[ . 1]" 1
566 1 55 LEU HA 1 55 LEU QD 3.800 . 3.800 2.716 2.400 2.889 . 0 0 "[ . 1]" 1
567 1 55 LEU QB 1 55 LEU HG 2.800 . 2.800 2.499 2.409 2.536 . 0 0 "[ . 1]" 1
568 1 55 LEU H 1 55 LEU QD 5.000 . 5.000 3.948 3.747 4.101 . 0 0 "[ . 1]" 1
569 1 55 LEU H 1 55 LEU HG 5.000 . 5.000 4.307 3.994 4.508 . 0 0 "[ . 1]" 1
570 1 55 LEU HA 1 56 PRO QD 5.000 . 5.000 3.548 3.529 3.564 . 0 0 "[ . 1]" 1
571 1 55 LEU QB 1 56 PRO QD 5.000 . 5.000 1.788 1.768 1.819 0.032 5 0 "[ . 1]" 1
572 1 55 LEU QB 1 56 PRO QG 5.000 . 5.000 3.305 3.131 3.642 . 0 0 "[ . 1]" 1
573 1 55 LEU QD 1 56 PRO QD 5.000 . 5.000 3.017 1.979 3.253 . 0 0 "[ . 1]" 1
574 1 55 LEU HG 1 56 PRO QD 5.000 . 5.000 3.866 2.129 4.332 . 0 0 "[ . 1]" 1
575 1 55 LEU H 1 56 PRO QD 5.000 . 5.000 1.924 1.889 1.967 . 0 0 "[ . 1]" 1
576 1 55 LEU HG 1 57 ILE MD 5.000 . 5.000 5.046 5.029 5.067 0.067 10 0 "[ . 1]" 1
577 1 55 LEU H 1 57 ILE HA 5.000 . 5.000 5.120 5.097 5.146 0.146 6 0 "[ . 1]" 1
578 1 55 LEU HA 1 58 GLN QB 5.000 . 5.000 4.184 3.199 4.995 . 0 0 "[ . 1]" 1
579 1 55 LEU HA 1 59 GLU H 5.000 . 5.000 3.596 2.671 4.136 . 0 0 "[ . 1]" 1
580 1 55 LEU QD 1 59 GLU QG 5.000 . 5.000 2.822 1.914 3.449 . 0 0 "[ . 1]" 1
581 1 55 LEU HG 1 59 GLU QG 5.000 . 5.000 4.693 3.230 5.024 0.024 4 0 "[ . 1]" 1
582 1 56 PRO HA 1 57 ILE MG 5.000 . 5.000 4.542 4.420 4.635 . 0 0 "[ . 1]" 1
583 1 56 PRO HA 1 57 ILE H 5.000 . 5.000 3.430 3.415 3.449 . 0 0 "[ . 1]" 1
584 1 56 PRO QB 1 57 ILE MG 5.000 . 5.000 3.201 2.902 3.626 . 0 0 "[ . 1]" 1
585 1 56 PRO QB 1 57 ILE H 5.000 . 5.000 3.097 3.072 3.131 . 0 0 "[ . 1]" 1
586 1 56 PRO QD 1 57 ILE H 5.000 . 5.000 2.597 2.453 2.849 . 0 0 "[ . 1]" 1
587 1 56 PRO QG 1 57 ILE H 5.000 . 5.000 3.899 3.860 3.936 . 0 0 "[ . 1]" 1
588 1 56 PRO QG 1 57 ILE MG 5.000 . 5.000 3.845 3.646 4.061 . 0 0 "[ . 1]" 1
589 1 56 PRO HA 1 58 GLN H 5.000 . 5.000 4.689 4.390 5.026 0.026 8 0 "[ . 1]" 1
590 1 56 PRO HA 1 59 GLU QB 5.000 . 5.000 2.433 1.959 3.220 . 0 0 "[ . 1]" 1
591 1 56 PRO HA 1 59 GLU H 5.000 . 5.000 3.703 3.293 4.300 . 0 0 "[ . 1]" 1
592 1 57 ILE H 1 57 ILE MD 5.000 . 5.000 2.583 2.125 3.137 . 0 0 "[ . 1]" 1
593 1 57 ILE H 1 57 ILE QG 5.000 . 5.000 3.674 3.527 3.790 . 0 0 "[ . 1]" 1
594 1 57 ILE HA 1 58 GLN H 5.000 . 5.000 3.538 3.498 3.577 . 0 0 "[ . 1]" 1
595 1 57 ILE HB 1 58 GLN H 5.000 . 5.000 4.040 3.824 4.222 . 0 0 "[ . 1]" 1
596 1 57 ILE MD 1 58 GLN HA 5.000 . 5.000 3.439 2.650 4.183 . 0 0 "[ . 1]" 1
597 1 57 ILE MD 1 58 GLN H 5.000 . 5.000 1.900 1.797 2.348 0.003 8 0 "[ . 1]" 1
598 1 57 ILE MG 1 58 GLN QB 5.000 . 5.000 4.391 3.810 5.150 0.150 5 0 "[ . 1]" 1
599 1 57 ILE MG 1 58 GLN HA 5.000 . 5.000 5.075 4.919 5.227 0.227 5 0 "[ . 1]" 1
600 1 57 ILE MG 1 58 GLN QG 5.000 . 5.000 4.388 3.338 5.029 0.029 8 0 "[ . 1]" 1
601 1 57 ILE MG 1 58 GLN H 5.000 . 5.000 2.989 2.679 3.221 . 0 0 "[ . 1]" 1
602 1 57 ILE H 1 58 GLN H 5.000 . 5.000 2.519 2.222 2.801 . 0 0 "[ . 1]" 1
603 1 57 ILE MD 1 59 GLU QB 5.000 . 5.000 4.847 4.308 5.011 0.011 10 0 "[ . 1]" 1
604 1 57 ILE MG 1 59 GLU QB 5.000 . 5.000 5.062 5.039 5.124 0.124 10 0 "[ . 1]" 1
605 1 57 ILE MG 1 59 GLU H 5.000 . 5.000 4.487 4.312 4.587 . 0 0 "[ . 1]" 1
606 1 57 ILE HA 1 60 ASN QB 5.000 . 5.000 3.974 3.577 4.200 . 0 0 "[ . 1]" 1
607 1 58 GLN HA 1 58 GLN QB 2.800 . 2.800 2.159 2.136 2.177 . 0 0 "[ . 1]" 1
608 1 58 GLN HA 1 58 GLN QG 3.800 . 3.800 3.218 3.000 3.330 . 0 0 "[ . 1]" 1
609 1 58 GLN H 1 58 GLN QB 3.800 . 3.800 2.540 2.146 3.044 . 0 0 "[ . 1]" 1
610 1 58 GLN H 1 58 GLN QG 5.000 . 5.000 2.461 1.784 3.314 0.016 5 0 "[ . 1]" 1
611 1 58 GLN HA 1 59 GLU H 5.000 . 5.000 3.421 3.348 3.513 . 0 0 "[ . 1]" 1
612 1 58 GLN QB 1 59 GLU H 5.000 . 5.000 3.494 2.791 3.760 . 0 0 "[ . 1]" 1
613 1 58 GLN QG 1 59 GLU QB 3.800 . 3.800 3.729 3.436 3.878 0.078 1 0 "[ . 1]" 1
614 1 58 GLN H 1 59 GLU H 5.000 . 5.000 2.263 2.207 2.334 . 0 0 "[ . 1]" 1
615 1 58 GLN H 1 60 ASN QB 5.000 . 5.000 5.045 4.991 5.077 0.077 9 0 "[ . 1]" 1
616 1 58 GLN H 1 60 ASN H 5.000 . 5.000 3.931 3.549 4.122 . 0 0 "[ . 1]" 1
617 1 58 GLN HA 1 61 GLN H 5.000 . 5.000 3.310 2.656 3.929 . 0 0 "[ . 1]" 1
618 1 58 GLN QG 1 61 GLN HA 5.000 . 5.000 5.070 5.043 5.139 0.139 1 0 "[ . 1]" 1
619 1 58 GLN HA 1 62 ALA H 5.000 . 5.000 4.449 3.562 4.924 . 0 0 "[ . 1]" 1
620 1 59 GLU H 1 59 GLU QG 5.000 . 5.000 3.762 3.326 4.057 . 0 0 "[ . 1]" 1
621 1 59 GLU HA 1 60 ASN H 5.000 . 5.000 3.434 3.394 3.475 . 0 0 "[ . 1]" 1
622 1 59 GLU QB 1 60 ASN H 5.000 . 5.000 2.905 2.747 3.076 . 0 0 "[ . 1]" 1
623 1 59 GLU H 1 60 ASN HA 5.000 . 5.000 5.124 5.084 5.181 0.181 1 0 "[ . 1]" 1
624 1 59 GLU H 1 60 ASN QB 5.000 . 5.000 4.278 4.130 4.469 . 0 0 "[ . 1]" 1
625 1 59 GLU H 1 60 ASN H 5.000 . 5.000 2.532 2.452 2.569 . 0 0 "[ . 1]" 1
626 1 60 ASN H 1 60 ASN QD 5.000 . 5.000 3.686 2.872 4.803 . 0 0 "[ . 1]" 1
627 1 60 ASN HA 1 61 GLN H 5.000 . 5.000 3.370 2.998 3.468 . 0 0 "[ . 1]" 1
628 1 60 ASN QB 1 61 GLN H 5.000 . 5.000 3.121 2.828 3.710 . 0 0 "[ . 1]" 1
629 1 60 ASN H 1 61 GLN H 5.000 . 5.000 2.412 1.895 2.697 . 0 0 "[ . 1]" 1
630 1 60 ASN HA 1 66 ASN QD 5.000 . 5.000 4.545 3.805 5.015 0.015 9 0 "[ . 1]" 1
631 1 61 GLN HA 1 61 GLN QG 3.800 . 3.800 2.404 2.093 2.965 . 0 0 "[ . 1]" 1
632 1 61 GLN H 1 61 GLN QG 5.000 . 5.000 3.334 2.465 4.432 . 0 0 "[ . 1]" 1
633 1 61 GLN HA 1 62 ALA H 5.000 . 5.000 2.917 2.228 3.130 . 0 0 "[ . 1]" 1
634 1 61 GLN QB 1 62 ALA MB 5.000 . 5.000 3.968 3.592 4.694 . 0 0 "[ . 1]" 1
635 1 61 GLN QB 1 62 ALA H 5.000 . 5.000 3.693 3.192 3.838 . 0 0 "[ . 1]" 1
636 1 61 GLN QG 1 62 ALA H 5.000 . 5.000 4.386 2.979 4.920 . 0 0 "[ . 1]" 1
637 1 61 GLN H 1 62 ALA H 5.000 . 5.000 2.827 2.482 4.169 . 0 0 "[ . 1]" 1
638 1 62 ALA HA 1 63 PRO HA 5.000 . 5.000 4.424 4.384 4.475 . 0 0 "[ . 1]" 1
639 1 62 ALA HA 1 63 PRO QD 3.800 . 3.800 2.099 1.952 2.299 . 0 0 "[ . 1]" 1
640 1 62 ALA HA 1 63 PRO QG 5.000 . 5.000 4.008 3.875 4.190 . 0 0 "[ . 1]" 1
641 1 62 ALA MB 1 63 PRO QD 5.000 . 5.000 2.370 1.864 2.992 . 0 0 "[ . 1]" 1
642 1 62 ALA H 1 63 PRO QD 5.000 . 5.000 4.275 3.956 4.385 . 0 0 "[ . 1]" 1
643 1 62 ALA MB 1 65 PRO QD 3.800 . 3.800 2.956 1.952 3.835 0.035 7 0 "[ . 1]" 1
644 1 63 PRO HA 1 64 ALA MB 5.000 . 5.000 4.658 4.239 4.963 . 0 0 "[ . 1]" 1
645 1 63 PRO HA 1 64 ALA H 5.000 . 5.000 3.253 2.502 3.543 . 0 0 "[ . 1]" 1
646 1 63 PRO QB 1 64 ALA H 5.000 . 5.000 2.150 1.837 3.958 . 0 0 "[ . 1]" 1
647 1 63 PRO HA 1 65 PRO QG 5.000 . 5.000 5.056 4.816 5.139 0.139 7 0 "[ . 1]" 1
648 1 64 ALA HA 1 65 PRO QD 5.000 . 5.000 3.370 2.635 3.492 . 0 0 "[ . 1]" 1
649 1 64 ALA MB 1 65 PRO QD 5.000 . 5.000 2.470 1.926 3.569 . 0 0 "[ . 1]" 1
650 1 65 PRO HA 1 66 ASN H 5.000 . 5.000 3.068 2.234 3.577 . 0 0 "[ . 1]" 1
651 1 66 ASN HA 1 67 ILE H 5.000 . 5.000 2.709 2.139 3.570 . 0 0 "[ . 1]" 1
652 1 66 ASN H 1 67 ILE HA 5.000 . 5.000 4.771 4.188 5.064 0.064 7 0 "[ . 1]" 1
653 1 67 ILE HA 1 68 THR H 5.000 . 5.000 2.673 2.192 3.567 . 0 0 "[ . 1]" 1
654 1 67 ILE H 1 68 THR H 5.000 . 5.000 3.988 2.415 4.624 . 0 0 "[ . 1]" 1
655 1 68 THR HA 1 68 THR HB 2.800 . 2.800 2.534 2.280 2.967 0.167 6 0 "[ . 1]" 1
656 1 68 THR HA 1 69 GLY H 5.000 . 5.000 2.958 2.157 3.556 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 59
_Distance_constraint_stats_list.Viol_count 208
_Distance_constraint_stats_list.Viol_total 88.687
_Distance_constraint_stats_list.Viol_max 0.240
_Distance_constraint_stats_list.Viol_rms 0.0322
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0150
_Distance_constraint_stats_list.Viol_average_violations_only 0.0426
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 21 LEU 0.005 0.005 1 0 "[ . 1]"
1 22 TRP 0.290 0.060 8 0 "[ . 1]"
1 23 VAL 0.054 0.054 8 0 "[ . 1]"
1 24 ALA 0.076 0.024 8 0 "[ . 1]"
1 25 PHE 0.670 0.136 7 0 "[ . 1]"
1 26 GLN 0.611 0.082 9 0 "[ . 1]"
1 27 MET 0.212 0.054 8 0 "[ . 1]"
1 28 MET 0.147 0.026 6 0 "[ . 1]"
1 29 LYS 0.804 0.136 7 0 "[ . 1]"
1 30 GLY 0.380 0.082 9 0 "[ . 1]"
1 31 ALA 0.203 0.039 10 0 "[ . 1]"
1 32 GLY 0.102 0.026 6 0 "[ . 1]"
1 33 TRP 0.161 0.042 9 0 "[ . 1]"
1 34 ALA 0.638 0.068 3 0 "[ . 1]"
1 35 GLY 0.749 0.093 8 0 "[ . 1]"
1 36 GLY 0.121 0.049 10 0 "[ . 1]"
1 37 VAL 0.219 0.067 10 0 "[ . 1]"
1 38 PHE 0.937 0.195 10 0 "[ . 1]"
1 39 PHE 1.040 0.093 8 0 "[ . 1]"
1 40 GLY 0.991 0.122 10 0 "[ . 1]"
1 41 THR 0.879 0.168 10 0 "[ . 1]"
1 42 LEU 0.949 0.195 10 0 "[ . 1]"
1 43 LEU 0.410 0.080 9 0 "[ . 1]"
1 44 LEU 1.153 0.122 10 0 "[ . 1]"
1 45 ILE 0.893 0.168 10 0 "[ . 1]"
1 46 GLY 0.741 0.081 9 0 "[ . 1]"
1 47 PHE 0.109 0.026 6 0 "[ . 1]"
1 48 PHE 0.274 0.049 6 0 "[ . 1]"
1 49 ARG 0.606 0.108 7 0 "[ . 1]"
1 50 VAL 1.505 0.240 9 0 "[ . 1]"
1 51 VAL 0.036 0.021 8 0 "[ . 1]"
1 52 GLY 0.022 0.014 8 0 "[ . 1]"
1 53 ARG 0.395 0.108 7 0 "[ . 1]"
1 54 MET 1.355 0.240 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 21 LEU O 1 25 PHE H 2.300 . 2.500 2.210 1.923 2.505 0.005 1 0 "[ . 1]" 2
2 1 21 LEU O 1 25 PHE N 3.300 2.500 3.500 2.918 2.630 3.165 . 0 0 "[ . 1]" 2
3 1 22 TRP O 1 26 GLN H 2.300 . 2.500 2.521 2.417 2.560 0.060 8 0 "[ . 1]" 2
4 1 22 TRP O 1 26 GLN N 3.300 2.500 3.500 3.380 3.232 3.441 . 0 0 "[ . 1]" 2
5 1 23 VAL O 1 27 MET H 2.300 . 2.500 2.283 2.179 2.554 0.054 8 0 "[ . 1]" 2
6 1 23 VAL O 1 27 MET N 3.300 2.500 3.500 3.122 2.958 3.485 . 0 0 "[ . 1]" 2
7 1 24 ALA O 1 28 MET H 2.300 . 2.500 2.017 1.776 2.397 0.024 8 0 "[ . 1]" 2
8 1 24 ALA O 1 28 MET N 3.300 2.500 3.500 2.851 2.622 3.287 . 0 0 "[ . 1]" 2
9 1 25 PHE O 1 29 LYS H 3.000 2.500 3.200 2.457 2.364 2.599 0.136 7 0 "[ . 1]" 2
10 1 25 PHE O 1 29 LYS N 4.000 3.200 4.200 3.237 3.158 3.328 0.042 5 0 "[ . 1]" 2
11 1 26 GLN O 1 30 GLY H 2.300 . 2.500 2.057 1.798 2.511 0.011 8 0 "[ . 1]" 2
12 1 26 GLN O 1 30 GLY N 3.300 2.500 3.500 2.556 2.418 2.921 0.082 9 0 "[ . 1]" 2
13 1 27 MET O 1 31 ALA H 3.000 2.500 3.200 3.161 2.732 3.239 0.039 10 0 "[ . 1]" 2
14 1 27 MET O 1 31 ALA N 4.000 3.200 4.200 3.664 3.270 3.816 . 0 0 "[ . 1]" 2
15 1 28 MET O 1 32 GLY H 3.000 2.500 3.200 3.100 2.813 3.226 0.026 6 0 "[ . 1]" 2
16 1 28 MET O 1 32 GLY N 4.000 3.200 4.200 4.033 3.774 4.205 0.005 8 0 "[ . 1]" 2
17 1 29 LYS O 1 33 TRP H 3.000 2.500 3.200 2.632 2.469 3.210 0.031 7 0 "[ . 1]" 2
18 1 29 LYS O 1 33 TRP N 4.000 3.200 4.200 3.423 3.158 4.002 0.042 9 0 "[ . 1]" 2
19 1 30 GLY O 1 34 ALA H 3.000 2.500 3.200 3.041 2.493 3.215 0.015 9 0 "[ . 1]" 2
20 1 30 GLY O 1 34 ALA N 4.000 3.200 4.200 3.616 3.239 3.942 . 0 0 "[ . 1]" 2
21 1 31 ALA O 1 35 GLY H 3.000 2.500 3.200 2.666 2.482 2.972 0.018 6 0 "[ . 1]" 2
22 1 31 ALA O 1 35 GLY N 4.000 3.200 4.200 3.310 3.191 3.652 0.009 7 0 "[ . 1]" 2
23 1 32 GLY O 1 36 GLY H 3.000 2.500 3.200 3.098 2.647 3.213 0.013 6 0 "[ . 1]" 2
24 1 32 GLY O 1 36 GLY N 4.000 3.200 4.200 4.019 3.588 4.170 . 0 0 "[ . 1]" 2
25 1 33 TRP O 1 37 VAL H 2.300 . 2.500 2.064 1.780 2.317 0.020 8 0 "[ . 1]" 2
26 1 33 TRP O 1 37 VAL N 3.300 2.500 3.500 3.009 2.682 3.286 . 0 0 "[ . 1]" 2
27 1 34 ALA O 1 38 PHE H 2.300 . 2.500 1.777 1.732 1.945 0.068 3 0 "[ . 1]" 2
28 1 34 ALA O 1 38 PHE N 3.300 2.500 3.500 2.497 2.450 2.566 0.050 6 0 "[ . 1]" 2
29 1 35 GLY O 1 39 PHE H 2.300 . 2.500 2.570 2.535 2.593 0.093 8 0 "[ . 1]" 2
30 1 35 GLY O 1 39 PHE N 3.300 2.500 3.500 3.255 3.107 3.350 . 0 0 "[ . 1]" 2
31 1 36 GLY O 1 40 GLY H 2.300 . 2.500 2.448 2.257 2.549 0.049 10 0 "[ . 1]" 2
32 1 36 GLY O 1 40 GLY N 3.300 2.500 3.500 3.189 2.903 3.408 . 0 0 "[ . 1]" 2
33 1 37 VAL O 1 41 THR H 2.300 . 2.500 2.466 2.086 2.567 0.067 10 0 "[ . 1]" 2
34 1 38 PHE O 1 42 LEU H 2.300 . 2.500 1.784 1.605 1.873 0.195 10 0 "[ . 1]" 2
35 1 38 PHE O 1 42 LEU N 3.300 2.500 3.500 2.740 2.516 2.837 . 0 0 "[ . 1]" 2
36 1 39 PHE O 1 43 LEU H 2.300 . 2.500 1.766 1.720 1.791 0.080 9 0 "[ . 1]" 2
37 1 39 PHE O 1 43 LEU N 3.300 2.500 3.500 2.694 2.627 2.742 . 0 0 "[ . 1]" 2
38 1 40 GLY O 1 44 LEU H 2.300 . 2.500 2.590 2.557 2.622 0.122 10 0 "[ . 1]" 2
39 1 40 GLY O 1 44 LEU N 3.300 2.500 3.500 3.316 3.235 3.375 . 0 0 "[ . 1]" 2
40 1 41 THR O 1 45 ILE H 2.300 . 2.500 1.732 1.632 1.789 0.168 10 0 "[ . 1]" 2
41 1 41 THR O 1 45 ILE N 3.300 2.500 3.500 2.687 2.598 2.729 . 0 0 "[ . 1]" 2
42 1 42 LEU O 1 46 GLY H 2.300 . 2.500 1.749 1.719 1.776 0.081 9 0 "[ . 1]" 2
43 1 42 LEU O 1 46 GLY N 3.300 2.500 3.500 2.505 2.461 2.575 0.039 10 0 "[ . 1]" 2
44 1 43 LEU O 1 47 PHE H 2.300 . 2.500 2.425 2.233 2.526 0.026 6 0 "[ . 1]" 2
45 1 43 LEU O 1 47 PHE N 3.300 2.500 3.500 3.140 3.000 3.240 . 0 0 "[ . 1]" 2
46 1 44 LEU O 1 48 PHE H 2.300 . 2.500 2.525 2.507 2.549 0.049 6 0 "[ . 1]" 2
47 1 44 LEU O 1 48 PHE N 3.300 2.500 3.500 3.275 3.251 3.303 . 0 0 "[ . 1]" 2
48 1 45 ILE O 1 49 ARG H 2.300 . 2.500 1.797 1.714 1.955 0.086 8 0 "[ . 1]" 2
49 1 45 ILE O 1 49 ARG N 3.300 2.500 3.500 2.684 2.631 2.732 . 0 0 "[ . 1]" 2
50 1 46 GLY O 1 50 VAL H 2.300 . 2.500 2.473 2.221 2.546 0.046 8 0 "[ . 1]" 2
51 1 46 GLY O 1 50 VAL N 3.300 2.500 3.500 3.272 3.045 3.328 . 0 0 "[ . 1]" 2
52 1 47 PHE O 1 51 VAL H 2.300 . 2.500 2.378 2.122 2.521 0.021 8 0 "[ . 1]" 2
53 1 47 PHE O 1 51 VAL N 3.300 2.500 3.500 3.217 2.968 3.464 . 0 0 "[ . 1]" 2
54 1 48 PHE O 1 52 GLY H 3.000 2.500 3.200 2.873 2.486 3.205 0.014 8 0 "[ . 1]" 2
55 1 48 PHE O 1 52 GLY N 4.000 3.200 4.200 3.554 3.281 3.788 . 0 0 "[ . 1]" 2
56 1 49 ARG O 1 53 ARG H 3.000 2.500 3.200 2.849 2.557 3.085 . 0 0 "[ . 1]" 2
57 1 49 ARG O 1 53 ARG N 4.000 3.200 4.200 3.173 3.092 3.314 0.108 7 0 "[ . 1]" 2
58 1 50 VAL O 1 54 MET H 3.000 2.500 3.200 2.708 2.402 3.129 0.098 7 0 "[ . 1]" 2
59 1 50 VAL O 1 54 MET N 4.000 3.200 4.200 3.080 2.960 3.231 0.240 9 0 "[ . 1]" 2
stop_
save_
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