NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
469198 |
2adl   |
6743 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2adl
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 614
_Distance_constraint_stats_list.Viol_count 138
_Distance_constraint_stats_list.Viol_total 11.473
_Distance_constraint_stats_list.Viol_max 1.386
_Distance_constraint_stats_list.Viol_rms 0.0982
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0187
_Distance_constraint_stats_list.Viol_average_violations_only 0.0831
_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 LYS 0.003 0.003 1 0 "[ ]"
1 3 GLN 0.082 0.038 1 0 "[ ]"
1 4 ARG 0.173 0.056 1 0 "[ ]"
1 5 ILE 0.868 0.790 1 1 [+]
1 6 THR 2.059 0.969 1 1 [+]
1 7 VAL 1.297 0.969 1 1 [+]
1 8 THR 0.067 0.041 1 0 "[ ]"
1 9 VAL 0.107 0.048 1 0 "[ ]"
1 10 ASP 0.049 0.032 1 0 "[ ]"
1 11 SER 0.017 0.017 1 0 "[ ]"
1 12 ASP 0.022 0.022 1 0 "[ ]"
1 13 SER 0.114 0.114 1 0 "[ ]"
1 14 TYR 0.380 0.114 1 0 "[ ]"
1 15 GLN 0.099 0.051 1 0 "[ ]"
1 16 LEU 0.027 0.025 1 0 "[ ]"
1 17 LEU 0.191 0.091 1 0 "[ ]"
1 18 LYS 0.141 0.081 1 0 "[ ]"
1 19 ALA 0.116 0.081 1 0 "[ ]"
1 20 TYR 0.244 0.062 1 0 "[ ]"
1 21 ASP 0.190 0.077 1 0 "[ ]"
1 22 VAL 0.187 0.077 1 0 "[ ]"
1 23 ASN 0.100 0.100 1 0 "[ ]"
1 24 ILE 1.127 0.164 1 0 "[ ]"
1 25 SER 0.228 0.086 1 0 "[ ]"
1 26 GLY 1.418 1.386 1 1 [+]
1 27 LEU 0.394 0.184 1 0 "[ ]"
1 28 VAL 2.091 0.940 1 1 [+]
1 29 SER 0.131 0.107 1 0 "[ ]"
1 30 THR 1.958 1.386 1 1 [+]
1 31 THR 2.067 0.940 1 1 [+]
1 32 MET 0.497 0.103 1 0 "[ ]"
1 33 GLN 0.039 0.036 1 0 "[ ]"
1 34 ASN 0.173 0.049 1 0 "[ ]"
1 35 GLU 0.000 0.000 . 0 "[ ]"
1 36 ALA 0.081 0.036 1 0 "[ ]"
1 37 ARG 0.215 0.094 1 0 "[ ]"
1 38 ARG 0.162 0.094 1 0 "[ ]"
1 39 LEU 0.242 0.094 1 0 "[ ]"
1 40 ARG 0.000 0.000 . 0 "[ ]"
1 41 ALA 0.000 0.000 . 0 "[ ]"
1 42 GLU 0.029 0.016 1 0 "[ ]"
1 48 ASN 0.000 0.000 . 0 "[ ]"
1 49 GLN 0.000 0.000 . 0 "[ ]"
1 50 GLU 0.000 0.000 . 0 "[ ]"
1 51 GLY 0.000 0.000 . 0 "[ ]"
1 52 MET 0.000 0.000 . 0 "[ ]"
1 55 VAL 0.089 0.064 1 0 "[ ]"
1 56 ALA 0.090 0.064 1 0 "[ ]"
1 57 ARG 0.001 0.001 1 0 "[ ]"
1 58 PHE 0.014 0.010 1 0 "[ ]"
1 59 ILE 0.019 0.010 1 0 "[ ]"
1 60 GLU 0.017 0.017 1 0 "[ ]"
1 62 ASN 0.000 0.000 . 0 "[ ]"
1 64 SER 0.000 0.000 . 0 "[ ]"
1 65 PHE 0.000 0.000 . 0 "[ ]"
1 66 ALA 0.000 0.000 . 0 "[ ]"
1 67 ASP 0.000 0.000 . 0 "[ ]"
1 68 GLU 0.000 0.000 . 0 "[ ]"
1 69 ASN 0.000 0.000 . 0 "[ ]"
1 70 LYS 0.041 0.041 1 0 "[ ]"
1 71 ASP 0.202 0.161 1 0 "[ ]"
1 72 TRP 0.161 0.161 1 0 "[ ]"
2 3 GLN 0.037 0.017 1 0 "[ ]"
2 4 ARG 0.367 0.345 1 0 "[ ]"
2 5 ILE 0.706 0.619 1 1 [+]
2 6 THR 0.846 0.790 1 1 [+]
2 7 VAL 0.120 0.038 1 0 "[ ]"
2 8 THR 0.031 0.021 1 0 "[ ]"
2 9 VAL 0.130 0.067 1 0 "[ ]"
2 14 TYR 0.107 0.107 1 0 "[ ]"
2 15 GLN 0.049 0.031 1 0 "[ ]"
2 16 LEU 0.015 0.008 1 0 "[ ]"
2 17 LEU 0.029 0.029 1 0 "[ ]"
2 18 LYS 0.054 0.054 1 0 "[ ]"
2 20 TYR 0.058 0.042 1 0 "[ ]"
2 24 ILE 0.320 0.103 1 0 "[ ]"
2 27 LEU 0.000 0.000 . 0 "[ ]"
2 28 VAL 0.137 0.048 1 0 "[ ]"
2 29 SER 0.065 0.065 1 0 "[ ]"
2 31 THR 0.000 0.000 . 0 "[ ]"
2 32 MET 0.400 0.091 1 0 "[ ]"
2 36 ALA 0.000 0.000 . 0 "[ ]"
2 37 ARG 0.000 0.000 . 0 "[ ]"
2 39 LEU 0.172 0.051 1 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 GLN HA 1 3 GLN QG 2.919 . 2.919 2.538 2.538 2.538 . 0 0 "[ ]" 1
2 1 3 GLN QB 1 3 GLN QE 3.897 . 3.897 3.578 3.578 3.578 . 0 0 "[ ]" 1
3 1 3 GLN H 1 3 GLN QB . . 3.747 2.470 2.470 2.470 . 0 0 "[ ]" 1
4 1 3 GLN H 1 3 GLN QG 3.943 . 3.943 3.956 3.956 3.956 0.013 1 0 "[ ]" 1
5 1 4 ARG QB 1 4 ARG QD . . 2.914 2.059 2.059 2.059 . 0 0 "[ ]" 1
6 1 4 ARG HA 1 4 ARG QG 2.850 . 2.850 2.223 2.223 2.223 . 0 0 "[ ]" 1
7 1 4 ARG H 1 4 ARG QB 2.883 . 2.883 2.332 2.332 2.332 . 0 0 "[ ]" 1
8 1 4 ARG H 1 4 ARG QD 4.474 . 4.474 4.423 4.423 4.423 . 0 0 "[ ]" 1
9 1 5 ILE HA 1 5 ILE MG 3.723 . 3.723 2.691 2.691 2.691 . 0 0 "[ ]" 1
10 1 5 ILE H 1 5 ILE HB 4.380 . 4.380 3.685 3.685 3.685 . 0 0 "[ ]" 1
11 1 5 ILE H 1 5 ILE MD 5.443 . 5.443 4.136 4.136 4.136 . 0 0 "[ ]" 1
12 1 5 ILE H 1 5 ILE QG . . 3.611 2.717 2.717 2.717 . 0 0 "[ ]" 1
13 1 6 THR HA 1 6 THR MG . . 3.495 3.174 3.174 3.174 . 0 0 "[ ]" 1
14 1 6 THR H 1 6 THR HB 4.355 . 4.355 3.379 3.379 3.379 . 0 0 "[ ]" 1
15 1 6 THR H 1 6 THR MG 4.167 . 4.167 1.914 1.914 1.914 . 0 0 "[ ]" 1
16 1 7 VAL H 1 7 VAL QG . . 3.819 1.914 1.914 1.914 . 0 0 "[ ]" 1
17 1 8 THR HA 1 8 THR MG 3.671 . 3.671 2.289 2.289 2.289 . 0 0 "[ ]" 1
18 1 8 THR H 1 8 THR HB 3.462 . 3.462 3.503 3.503 3.503 0.041 1 0 "[ ]" 1
19 1 8 THR H 1 8 THR MG 4.351 . 4.351 2.556 2.556 2.556 . 0 0 "[ ]" 1
20 1 9 VAL H 1 9 VAL HB 4.248 . 4.248 2.475 2.475 2.475 . 0 0 "[ ]" 1
21 1 9 VAL H 1 9 VAL QG 3.710 . 3.710 2.342 2.342 2.342 . 0 0 "[ ]" 1
22 1 10 ASP H 1 10 ASP QB . . 3.312 3.104 3.104 3.104 . 0 0 "[ ]" 1
23 1 12 ASP H 1 12 ASP QB . . 3.522 2.650 2.650 2.650 . 0 0 "[ ]" 1
24 1 13 SER H 1 13 SER QB . . 3.700 2.081 2.081 2.081 . 0 0 "[ ]" 1
25 1 14 TYR HA 1 14 TYR QD . . 3.045 2.931 2.931 2.931 . 0 0 "[ ]" 1
26 1 14 TYR QB 1 14 TYR QD 2.871 . 2.871 2.142 2.142 2.142 . 0 0 "[ ]" 1
27 1 14 TYR QB 1 14 TYR QE 4.080 . 4.080 3.947 3.947 3.947 . 0 0 "[ ]" 1
28 1 14 TYR H 1 14 TYR QB 3.115 . 3.115 2.123 2.123 2.123 . 0 0 "[ ]" 1
29 1 14 TYR H 1 14 TYR QD 4.000 . 4.000 4.016 4.016 4.016 0.016 1 0 "[ ]" 1
30 1 15 GLN HA 1 15 GLN QG . . 3.635 3.243 3.243 3.243 . 0 0 "[ ]" 1
31 1 15 GLN H 1 15 GLN QB 3.284 . 3.284 2.757 2.757 2.757 . 0 0 "[ ]" 1
32 1 15 GLN H 1 15 GLN QG . . 3.698 1.862 1.862 1.862 . 0 0 "[ ]" 1
33 1 16 LEU HA 1 16 LEU MD2 . . 2.900 2.709 2.709 2.709 . 0 0 "[ ]" 1
34 1 16 LEU QB 1 16 LEU MD2 2.736 . 2.736 2.051 2.051 2.051 . 0 0 "[ ]" 1
35 1 16 LEU HA 1 16 LEU HG 3.181 . 3.181 2.312 2.312 2.312 . 0 0 "[ ]" 1
36 1 16 LEU H 1 16 LEU HA 3.011 . 3.011 2.798 2.798 2.798 . 0 0 "[ ]" 1
37 1 16 LEU H 1 16 LEU QB 3.398 . 3.398 2.149 2.149 2.149 . 0 0 "[ ]" 1
38 1 16 LEU H 1 16 LEU QD 4.008 . 4.008 3.128 3.128 3.128 . 0 0 "[ ]" 1
39 1 16 LEU H 1 16 LEU HG 3.815 . 3.815 3.205 3.205 3.205 . 0 0 "[ ]" 1
40 1 17 LEU HA 1 17 LEU QD 3.275 . 3.275 1.892 1.892 1.892 . 0 0 "[ ]" 1
41 1 17 LEU H 1 17 LEU QD 3.739 . 3.739 3.085 3.085 3.085 . 0 0 "[ ]" 1
42 1 18 LYS HA 1 18 LYS QB . . 2.360 2.172 2.172 2.172 . 0 0 "[ ]" 1
43 1 18 LYS QB 1 18 LYS QE . . 4.351 3.267 3.267 3.267 . 0 0 "[ ]" 1
44 1 18 LYS H 1 18 LYS QB . . 3.222 2.725 2.725 2.725 . 0 0 "[ ]" 1
45 1 19 ALA H 1 19 ALA MB 3.230 . 3.230 2.206 2.206 2.206 . 0 0 "[ ]" 1
46 1 20 TYR H 1 20 TYR HA 2.845 . 2.845 2.907 2.907 2.907 0.062 1 0 "[ ]" 1
47 1 21 ASP H 1 21 ASP HA 2.734 . 2.734 2.728 2.728 2.728 . 0 0 "[ ]" 1
48 1 21 ASP H 1 21 ASP QB 3.233 . 3.233 3.089 3.089 3.089 . 0 0 "[ ]" 1
49 1 22 VAL HA 1 22 VAL QG . . 3.179 2.343 2.343 2.343 . 0 0 "[ ]" 1
50 1 22 VAL H 1 22 VAL HB 3.122 . 3.122 2.547 2.547 2.547 . 0 0 "[ ]" 1
51 1 22 VAL H 1 22 VAL QG 3.640 . 3.640 1.817 1.817 1.817 . 0 0 "[ ]" 1
52 1 23 ASN H 1 23 ASN HA 3.139 . 3.139 2.896 2.896 2.896 . 0 0 "[ ]" 1
53 1 24 ILE HA 1 24 ILE MD . . 3.139 3.303 3.303 3.303 0.164 1 0 "[ ]" 1
54 1 24 ILE HB 1 24 ILE MD 3.112 . 3.112 3.145 3.145 3.145 0.033 1 0 "[ ]" 1
55 1 24 ILE HA 1 24 ILE QG 3.367 . 3.367 3.444 3.444 3.444 0.077 1 0 "[ ]" 1
56 1 24 ILE H 1 24 ILE HB 3.636 . 3.636 3.759 3.759 3.759 0.123 1 0 "[ ]" 1
57 1 24 ILE H 1 24 ILE MD 3.811 . 3.811 1.671 1.671 1.671 0.129 1 0 "[ ]" 1
58 1 24 ILE H 1 24 ILE QG 4.291 . 4.291 3.100 3.100 3.100 . 0 0 "[ ]" 1
59 1 24 ILE H 1 24 ILE QG 4.223 . 4.223 2.700 2.700 2.700 . 0 0 "[ ]" 1
60 1 27 LEU HA 1 27 LEU QD 3.557 . 3.557 3.108 3.108 3.108 . 0 0 "[ ]" 1
61 1 27 LEU H 1 27 LEU HA 2.774 . 2.774 2.779 2.779 2.779 0.005 1 0 "[ ]" 1
62 1 27 LEU H 1 27 LEU QB 3.283 . 3.283 2.160 2.160 2.160 . 0 0 "[ ]" 1
63 1 27 LEU H 1 27 LEU QD 3.486 . 3.486 3.572 3.572 3.572 0.086 1 0 "[ ]" 1
64 1 28 VAL HA 1 28 VAL QG . . 3.315 2.127 2.127 2.127 . 0 0 "[ ]" 1
65 1 28 VAL H 1 28 VAL HB 3.583 . 3.583 2.409 2.409 2.409 . 0 0 "[ ]" 1
66 1 28 VAL H 1 28 VAL QG . . 3.737 2.029 2.029 2.029 . 0 0 "[ ]" 1
67 1 29 SER H 1 29 SER QB 3.356 . 3.356 2.576 2.576 2.576 . 0 0 "[ ]" 1
68 1 30 THR HA 1 30 THR MG . . 3.121 2.562 2.562 2.562 . 0 0 "[ ]" 1
69 1 30 THR H 1 30 THR MG 3.476 . 3.476 3.752 3.752 3.752 0.276 1 0 "[ ]" 1
70 1 31 THR HA 1 31 THR MG . . 3.174 2.373 2.373 2.373 . 0 0 "[ ]" 1
71 1 31 THR H 1 31 THR HB 3.537 . 3.537 2.622 2.622 2.622 . 0 0 "[ ]" 1
72 1 31 THR H 1 31 THR MG 3.733 . 3.733 3.741 3.741 3.741 0.008 1 0 "[ ]" 1
73 1 32 MET H 1 32 MET ME 4.503 . 4.503 4.332 4.332 4.332 . 0 0 "[ ]" 1
74 1 32 MET H 1 32 MET QG 3.543 . 3.543 1.768 1.768 1.768 0.032 1 0 "[ ]" 1
75 1 32 MET HA 1 32 MET ME 5.000 . 5.000 4.432 4.432 4.432 . 0 0 "[ ]" 1
76 1 34 ASN HA 1 34 ASN QD . . 4.364 4.064 4.064 4.064 . 0 0 "[ ]" 1
77 1 34 ASN H 1 34 ASN QB 3.299 . 3.299 2.247 2.247 2.247 . 0 0 "[ ]" 1
78 1 34 ASN H 1 34 ASN QD 4.765 . 4.765 4.459 4.459 4.459 . 0 0 "[ ]" 1
79 1 35 GLU H 1 35 GLU HA 3.050 . 3.050 2.852 2.852 2.852 . 0 0 "[ ]" 1
80 1 36 ALA H 1 36 ALA MB 3.287 . 3.287 2.096 2.096 2.096 . 0 0 "[ ]" 1
81 1 37 ARG HA 1 37 ARG QB 2.447 . 2.447 2.516 2.516 2.516 0.069 1 0 "[ ]" 1
82 1 37 ARG QB 1 37 ARG QD 2.911 . 2.911 2.414 2.414 2.414 . 0 0 "[ ]" 1
83 1 37 ARG HA 1 37 ARG QG 3.069 . 3.069 2.691 2.691 2.691 . 0 0 "[ ]" 1
84 1 37 ARG H 1 37 ARG QD . . 4.954 3.995 3.995 3.995 . 0 0 "[ ]" 1
85 1 37 ARG H 1 37 ARG QG 3.333 . 3.333 3.237 3.237 3.237 . 0 0 "[ ]" 1
86 1 38 ARG HA 1 38 ARG QG 2.887 . 2.887 2.334 2.334 2.334 . 0 0 "[ ]" 1
87 1 38 ARG H 1 38 ARG QB 3.401 . 3.401 2.126 2.126 2.126 . 0 0 "[ ]" 1
88 1 39 LEU HA 1 39 LEU QD 3.229 . 3.229 1.884 1.884 1.884 . 0 0 "[ ]" 1
89 1 39 LEU HA 1 39 LEU HG 3.436 . 3.436 3.106 3.106 3.106 . 0 0 "[ ]" 1
90 1 39 LEU H 1 39 LEU QB 3.517 . 3.517 2.440 2.440 2.440 . 0 0 "[ ]" 1
91 1 39 LEU H 1 39 LEU QD 4.654 . 4.654 1.839 1.839 1.839 . 0 0 "[ ]" 1
92 1 39 LEU H 1 39 LEU HG 3.653 . 3.653 3.747 3.747 3.747 0.094 1 0 "[ ]" 1
93 1 41 ALA H 1 41 ALA MB 3.463 . 3.463 2.914 2.914 2.914 . 0 0 "[ ]" 1
94 1 42 GLU H 1 42 GLU HA 2.834 . 2.834 2.850 2.850 2.850 0.016 1 0 "[ ]" 1
95 1 42 GLU H 1 42 GLU QB 2.787 . 2.787 2.801 2.801 2.801 0.014 1 0 "[ ]" 1
96 1 48 ASN H 1 48 ASN HA 3.040 . 3.040 2.826 2.826 2.826 . 0 0 "[ ]" 1
97 1 49 GLN HA 1 49 GLN QG 3.642 . 3.642 2.507 2.507 2.507 . 0 0 "[ ]" 1
98 1 49 GLN H 1 49 GLN QG 3.295 . 3.295 2.865 2.865 2.865 . 0 0 "[ ]" 1
99 1 50 GLU QB 1 50 GLU QG . . 2.200 2.084 2.084 2.084 . 0 0 "[ ]" 1
100 1 50 GLU H 1 50 GLU HA 2.892 . 2.892 2.273 2.273 2.273 . 0 0 "[ ]" 1
101 1 50 GLU H 1 50 GLU QB . . 3.090 3.055 3.055 3.055 . 0 0 "[ ]" 1
102 1 50 GLU H 1 50 GLU QG 3.825 . 3.825 3.470 3.470 3.470 . 0 0 "[ ]" 1
103 1 52 MET H 1 52 MET QB 2.881 . 2.881 2.867 2.867 2.867 . 0 0 "[ ]" 1
104 1 55 VAL HA 1 55 VAL QG . . 3.051 2.078 2.078 2.078 . 0 0 "[ ]" 1
105 1 55 VAL H 1 55 VAL HA 3.076 . 3.076 2.909 2.909 2.909 . 0 0 "[ ]" 1
106 1 55 VAL H 1 55 VAL HB 2.925 . 2.925 2.608 2.608 2.608 . 0 0 "[ ]" 1
107 1 55 VAL H 1 55 VAL QG . . 3.428 2.146 2.146 2.146 . 0 0 "[ ]" 1
108 1 56 ALA H 1 56 ALA HA 2.853 . 2.853 2.280 2.280 2.280 . 0 0 "[ ]" 1
109 1 56 ALA H 1 56 ALA MB 3.159 . 3.159 2.813 2.813 2.813 . 0 0 "[ ]" 1
110 1 57 ARG HA 1 57 ARG QD 4.686 . 4.686 3.885 3.885 3.885 . 0 0 "[ ]" 1
111 1 57 ARG QB 1 57 ARG QD 3.026 . 3.026 2.017 2.017 2.017 . 0 0 "[ ]" 1
112 1 57 ARG H 1 57 ARG QB 2.838 . 2.838 2.694 2.694 2.694 . 0 0 "[ ]" 1
113 1 57 ARG H 1 57 ARG QD 4.536 . 4.536 2.437 2.437 2.437 . 0 0 "[ ]" 1
114 1 58 PHE HA 1 58 PHE QD 3.312 . 3.312 2.453 2.453 2.453 . 0 0 "[ ]" 1
115 1 58 PHE H 1 58 PHE QB . . 3.404 2.750 2.750 2.750 . 0 0 "[ ]" 1
116 1 58 PHE H 1 58 PHE QD 4.426 . 4.426 4.408 4.408 4.408 . 0 0 "[ ]" 1
117 1 59 ILE HA 1 59 ILE MD . . 3.889 3.894 3.894 3.894 0.005 1 0 "[ ]" 1
118 1 59 ILE HA 1 59 ILE QG . . 3.723 2.501 2.501 2.501 . 0 0 "[ ]" 1
119 1 59 ILE H 1 59 ILE HA 3.123 . 3.123 2.947 2.947 2.947 . 0 0 "[ ]" 1
120 1 59 ILE H 1 59 ILE HB 3.014 . 3.014 2.748 2.748 2.748 . 0 0 "[ ]" 1
121 1 59 ILE H 1 59 ILE QG 3.417 . 3.417 2.782 2.782 2.782 . 0 0 "[ ]" 1
122 1 60 GLU H 1 60 GLU HA 2.991 . 2.991 2.284 2.284 2.284 . 0 0 "[ ]" 1
123 1 60 GLU H 1 60 GLU QB 2.809 . 2.809 2.826 2.826 2.826 0.017 1 0 "[ ]" 1
124 1 62 ASN H 1 62 ASN QB . . 3.162 2.591 2.591 2.591 . 0 0 "[ ]" 1
125 1 64 SER H 1 64 SER QB . . 3.383 3.180 3.180 3.180 . 0 0 "[ ]" 1
126 1 65 PHE HA 1 65 PHE QD 3.650 . 3.650 3.075 3.075 3.075 . 0 0 "[ ]" 1
127 1 66 ALA H 1 66 ALA HA 3.064 . 3.064 2.910 2.910 2.910 . 0 0 "[ ]" 1
128 1 66 ALA H 1 66 ALA MB 3.480 . 3.480 2.707 2.707 2.707 . 0 0 "[ ]" 1
129 1 67 ASP H 1 67 ASP QB 3.446 . 3.446 2.706 2.706 2.706 . 0 0 "[ ]" 1
130 1 68 GLU H 1 68 GLU HA 2.834 . 2.834 2.274 2.274 2.274 . 0 0 "[ ]" 1
131 1 72 TRP HA 1 72 TRP HD1 4.902 . 4.902 3.734 3.734 3.734 . 0 0 "[ ]" 1
132 1 72 TRP H 1 72 TRP QB . . 3.844 2.952 2.952 2.952 . 0 0 "[ ]" 1
133 1 69 ASN H 1 69 ASN HA 3.029 . 3.029 2.890 2.890 2.890 . 0 0 "[ ]" 1
134 1 71 ASP H 1 71 ASP HA . . 2.971 2.638 2.638 2.638 . 0 0 "[ ]" 1
135 1 2 LYS QB 1 3 GLN H 5.000 . 5.000 2.605 2.605 2.605 . 0 0 "[ ]" 1
136 1 3 GLN HA 1 4 ARG H 3.011 . 3.011 2.179 2.179 2.179 . 0 0 "[ ]" 1
137 1 3 GLN QB 1 4 ARG H 3.874 . 3.874 3.871 3.871 3.871 . 0 0 "[ ]" 1
138 1 3 GLN QE 1 4 ARG H 4.912 . 4.912 4.629 4.629 4.629 . 0 0 "[ ]" 1
139 1 3 GLN QG 1 4 ARG H 3.347 . 3.347 2.799 2.799 2.799 . 0 0 "[ ]" 1
140 1 3 GLN H 1 4 ARG H 5.961 . 5.961 4.216 4.216 4.216 . 0 0 "[ ]" 1
141 1 4 ARG HA 1 5 ILE H 3.362 . 3.362 2.152 2.152 2.152 . 0 0 "[ ]" 1
142 1 4 ARG QB 1 5 ILE H 4.096 . 4.096 3.905 3.905 3.905 . 0 0 "[ ]" 1
143 1 4 ARG QG 1 5 ILE H 4.536 . 4.536 3.397 3.397 3.397 . 0 0 "[ ]" 1
144 1 4 ARG QB 1 5 ILE HA 5.000 . 5.000 4.478 4.478 4.478 . 0 0 "[ ]" 1
145 1 5 ILE MD 1 6 THR HA 5.964 . 5.964 4.838 4.838 4.838 . 0 0 "[ ]" 1
146 1 5 ILE QG 1 6 THR HA 6.000 . 6.000 3.320 3.320 3.320 . 0 0 "[ ]" 1
147 1 5 ILE HA 1 6 THR H 2.428 . 2.428 2.162 2.162 2.162 . 0 0 "[ ]" 1
148 1 5 ILE HB 1 6 THR H 5.195 . 5.195 3.629 3.629 3.629 . 0 0 "[ ]" 1
149 1 5 ILE MD 1 6 THR H 5.051 . 5.051 4.801 4.801 4.801 . 0 0 "[ ]" 1
150 1 5 ILE QG 1 6 THR H 4.667 . 4.667 3.651 3.651 3.651 . 0 0 "[ ]" 1
151 1 5 ILE QG 1 6 THR H 4.227 . 4.227 3.480 3.480 3.480 . 0 0 "[ ]" 1
152 1 5 ILE HA 1 6 THR MG 6.000 . 6.000 3.456 3.456 3.456 . 0 0 "[ ]" 1
153 1 5 ILE H 1 6 THR H 5.441 . 5.441 4.357 4.357 4.357 . 0 0 "[ ]" 1
154 1 6 THR HA 1 7 VAL H 3.019 . 3.019 2.040 2.040 2.040 . 0 0 "[ ]" 1
155 1 6 THR HB 1 7 VAL H 4.022 . 4.022 4.082 4.082 4.082 0.060 1 0 "[ ]" 1
156 1 6 THR MG 1 7 VAL H 3.336 . 3.336 4.305 4.305 4.305 0.969 1 1 [+] 1
157 1 6 THR H 1 7 VAL H 4.584 . 4.584 4.108 4.108 4.108 . 0 0 "[ ]" 1
158 1 7 VAL H 1 8 THR MG 6.000 . 6.000 4.939 4.939 4.939 . 0 0 "[ ]" 1
159 1 7 VAL HA 1 8 THR H 4.829 . 4.829 2.259 2.259 2.259 . 0 0 "[ ]" 1
160 1 7 VAL HB 1 8 THR H 4.733 . 4.733 4.511 4.511 4.511 . 0 0 "[ ]" 1
161 1 8 THR H 1 9 VAL QG 5.626 . 5.626 4.320 4.320 4.320 . 0 0 "[ ]" 1
162 1 8 THR HA 1 9 VAL H 3.074 . 3.074 2.245 2.245 2.245 . 0 0 "[ ]" 1
163 1 8 THR MG 1 9 VAL H 6.000 . 6.000 4.141 4.141 4.141 . 0 0 "[ ]" 1
164 1 8 THR H 1 9 VAL H 5.004 . 5.004 4.088 4.088 4.088 . 0 0 "[ ]" 1
165 1 10 ASP QB 1 11 SER HA 5.000 . 5.000 4.626 4.626 4.626 . 0 0 "[ ]" 1
166 1 10 ASP H 1 11 SER QB 5.000 . 5.000 5.017 5.017 5.017 0.017 1 0 "[ ]" 1
167 1 10 ASP QB 1 11 SER H . . 3.234 3.000 3.000 3.000 . 0 0 "[ ]" 1
168 1 10 ASP H 1 11 SER H 4.041 . 4.041 2.925 2.925 2.925 . 0 0 "[ ]" 1
169 1 12 ASP QB 1 13 SER QB 4.740 . 4.740 3.922 3.922 3.922 . 0 0 "[ ]" 1
170 1 12 ASP HA 1 13 SER H 3.148 . 3.148 2.517 2.517 2.517 . 0 0 "[ ]" 1
171 1 12 ASP QB 1 13 SER H . . 4.123 2.360 2.360 2.360 . 0 0 "[ ]" 1
172 1 12 ASP H 1 13 SER H 5.181 . 5.181 4.610 4.610 4.610 . 0 0 "[ ]" 1
173 1 13 SER HA 1 14 TYR QB . . 4.700 4.814 4.814 4.814 0.114 1 0 "[ ]" 1
174 1 13 SER HA 1 14 TYR H 4.161 . 4.161 3.399 3.399 3.399 . 0 0 "[ ]" 1
175 1 14 TYR QD 1 15 GLN HA 4.008 . 4.008 3.014 3.014 3.014 . 0 0 "[ ]" 1
176 1 14 TYR QE 1 15 GLN HA 5.289 . 5.289 3.158 3.158 3.158 . 0 0 "[ ]" 1
177 1 14 TYR H 1 15 GLN HA 6.000 . 6.000 5.532 5.532 5.532 . 0 0 "[ ]" 1
178 1 14 TYR QD 1 15 GLN QB . . 4.159 2.841 2.841 2.841 . 0 0 "[ ]" 1
179 1 14 TYR QE 1 15 GLN QB 4.178 . 4.178 3.210 3.210 3.210 . 0 0 "[ ]" 1
180 1 14 TYR QD 1 15 GLN QG . . 3.506 2.925 2.925 2.925 . 0 0 "[ ]" 1
181 1 14 TYR QE 1 15 GLN QG 4.743 . 4.743 4.375 4.375 4.375 . 0 0 "[ ]" 1
182 1 14 TYR H 1 15 GLN QG 4.508 . 4.508 3.666 3.666 3.666 . 0 0 "[ ]" 1
183 1 14 TYR QB 1 15 GLN H 3.524 . 3.524 2.267 2.267 2.267 . 0 0 "[ ]" 1
184 1 14 TYR QD 1 15 GLN H 4.026 . 4.026 2.104 2.104 2.104 . 0 0 "[ ]" 1
185 1 14 TYR H 1 15 GLN H 4.104 . 4.104 3.015 3.015 3.015 . 0 0 "[ ]" 1
186 1 14 TYR HA 1 15 GLN H 3.582 . 3.582 3.547 3.547 3.547 . 0 0 "[ ]" 1
187 1 15 GLN HA 1 16 LEU H 4.685 . 4.685 3.520 3.520 3.520 . 0 0 "[ ]" 1
188 1 15 GLN QB 1 16 LEU H . . 3.695 3.335 3.335 3.335 . 0 0 "[ ]" 1
189 1 15 GLN H 1 16 LEU H 4.078 . 4.078 2.868 2.868 2.868 . 0 0 "[ ]" 1
190 1 16 LEU QD 1 17 LEU H 3.987 . 3.987 4.012 4.012 4.012 0.025 1 0 "[ ]" 1
191 1 16 LEU H 1 17 LEU H 3.872 . 3.872 2.737 2.737 2.737 . 0 0 "[ ]" 1
192 1 16 LEU HA 1 17 LEU H 4.252 . 4.252 3.539 3.539 3.539 . 0 0 "[ ]" 1
193 1 16 LEU QB 1 17 LEU HA 4.635 . 4.635 3.751 3.751 3.751 . 0 0 "[ ]" 1
194 1 17 LEU H 1 18 LYS QG 4.661 . 4.661 3.842 3.842 3.842 . 0 0 "[ ]" 1
195 1 17 LEU QD 1 18 LYS H . . 5.085 3.758 3.758 3.758 . 0 0 "[ ]" 1
196 1 17 LEU QB 1 18 LYS H 5.910 . 5.910 2.462 2.462 2.462 . 0 0 "[ ]" 1
197 1 18 LYS QE 1 19 ALA MB . . 4.044 2.643 2.643 2.643 . 0 0 "[ ]" 1
198 1 18 LYS H 1 19 ALA HA 4.987 . 4.987 5.020 5.020 5.020 0.033 1 0 "[ ]" 1
199 1 18 LYS HA 1 19 ALA MB 5.000 . 5.000 4.897 4.897 4.897 . 0 0 "[ ]" 1
200 1 18 LYS HA 1 19 ALA H 3.280 . 3.280 3.361 3.361 3.361 0.081 1 0 "[ ]" 1
201 1 18 LYS QB 1 19 ALA H 3.678 . 3.678 3.543 3.543 3.543 . 0 0 "[ ]" 1
202 1 18 LYS H 1 19 ALA H 3.925 . 3.925 2.412 2.412 2.412 . 0 0 "[ ]" 1
203 1 19 ALA H 1 20 TYR H 3.587 . 3.587 2.543 2.543 2.543 . 0 0 "[ ]" 1
204 1 20 TYR QD 1 21 ASP H 4.775 . 4.775 4.643 4.643 4.643 . 0 0 "[ ]" 1
205 1 21 ASP H 1 22 VAL HB 3.917 . 3.917 3.994 3.994 3.994 0.077 1 0 "[ ]" 1
206 1 21 ASP H 1 22 VAL QG . . 3.710 3.777 3.777 3.777 0.067 1 0 "[ ]" 1
207 1 21 ASP QB 1 22 VAL QG 6.000 . 6.000 4.640 4.640 4.640 . 0 0 "[ ]" 1
208 1 21 ASP HA 1 22 VAL H 3.651 . 3.651 2.418 2.418 2.418 . 0 0 "[ ]" 1
209 1 21 ASP H 1 22 VAL H 3.228 . 3.228 2.451 2.451 2.451 . 0 0 "[ ]" 1
210 1 22 VAL HA 1 23 ASN H 3.860 . 3.860 2.337 2.337 2.337 . 0 0 "[ ]" 1
211 1 22 VAL H 1 23 ASN H 4.734 . 4.734 3.740 3.740 3.740 . 0 0 "[ ]" 1
212 1 23 ASN QB 1 24 ILE MD 4.000 . 4.000 4.100 4.100 4.100 0.100 1 0 "[ ]" 1
213 1 23 ASN H 1 24 ILE MD 3.899 . 3.899 2.241 2.241 2.241 . 0 0 "[ ]" 1
214 1 23 ASN H 1 24 ILE QG 5.266 . 5.266 4.354 4.354 4.354 . 0 0 "[ ]" 1
215 1 23 ASN QB 1 24 ILE QG 3.608 . 3.608 3.565 3.565 3.565 . 0 0 "[ ]" 1
216 1 24 ILE MD 1 25 SER HA 3.521 . 3.521 3.607 3.607 3.607 0.086 1 0 "[ ]" 1
217 1 24 ILE QG 1 25 SER HA 4.263 . 4.263 3.087 3.087 3.087 . 0 0 "[ ]" 1
218 1 24 ILE MD 1 25 SER QB 4.310 . 4.310 3.573 3.573 3.573 . 0 0 "[ ]" 1
219 1 24 ILE QG 1 25 SER QB 5.698 . 5.698 4.027 4.027 4.027 . 0 0 "[ ]" 1
220 1 24 ILE HA 1 25 SER H 5.341 . 5.341 3.426 3.426 3.426 . 0 0 "[ ]" 1
221 1 24 ILE HB 1 25 SER H 3.809 . 3.809 3.884 3.884 3.884 0.075 1 0 "[ ]" 1
222 1 24 ILE MD 1 25 SER H 4.168 . 4.168 1.814 1.814 1.814 . 0 0 "[ ]" 1
223 1 24 ILE QG 1 25 SER H 5.039 . 5.039 2.655 2.655 2.655 . 0 0 "[ ]" 1
224 1 24 ILE QG 1 25 SER H 4.614 . 4.614 2.619 2.619 2.619 . 0 0 "[ ]" 1
225 1 24 ILE H 1 25 SER H 4.547 . 4.547 1.789 1.789 1.789 0.011 1 0 "[ ]" 1
226 1 24 ILE H 1 25 SER QB 5.000 . 5.000 4.334 4.334 4.334 . 0 0 "[ ]" 1
227 1 25 SER H 1 26 GLY H 4.861 . 4.861 2.830 2.830 2.830 . 0 0 "[ ]" 1
228 1 26 GLY QA 1 27 LEU QD 6.000 . 6.000 5.072 5.072 5.072 . 0 0 "[ ]" 1
229 1 26 GLY QA 1 27 LEU H . . 4.158 2.740 2.740 2.740 . 0 0 "[ ]" 1
230 1 26 GLY H 1 27 LEU H 2.735 . 2.735 2.426 2.426 2.426 . 0 0 "[ ]" 1
231 1 27 LEU QD 1 28 VAL HA 4.173 . 4.173 2.693 2.693 2.693 . 0 0 "[ ]" 1
232 1 27 LEU H 1 28 VAL HB 4.794 . 4.794 4.575 4.575 4.575 . 0 0 "[ ]" 1
233 1 27 LEU QB 1 28 VAL QG . . 3.304 3.362 3.362 3.362 0.058 1 0 "[ ]" 1
234 1 27 LEU H 1 28 VAL QG 5.024 . 5.024 4.021 4.021 4.021 . 0 0 "[ ]" 1
235 1 27 LEU QD 1 28 VAL QG 3.467 . 3.467 2.853 2.853 2.853 . 0 0 "[ ]" 1
236 1 27 LEU HA 1 28 VAL H 5.073 . 5.073 3.560 3.560 3.560 . 0 0 "[ ]" 1
237 1 27 LEU QB 1 28 VAL H 4.245 . 4.245 2.464 2.464 2.464 . 0 0 "[ ]" 1
238 1 27 LEU H 1 28 VAL H 4.280 . 4.280 2.655 2.655 2.655 . 0 0 "[ ]" 1
239 1 28 VAL QG 1 29 SER QB . . 4.175 3.414 3.414 3.414 . 0 0 "[ ]" 1
240 1 28 VAL HA 1 29 SER H 5.096 . 5.096 3.553 3.553 3.553 . 0 0 "[ ]" 1
241 1 28 VAL HB 1 29 SER H 4.703 . 4.703 2.242 2.242 2.242 . 0 0 "[ ]" 1
242 1 28 VAL QG 1 29 SER H . . 4.130 2.729 2.729 2.729 . 0 0 "[ ]" 1
243 1 28 VAL H 1 29 SER H 4.034 . 4.034 3.051 3.051 3.051 . 0 0 "[ ]" 1
244 1 29 SER H 1 30 THR H 4.222 . 4.222 2.632 2.632 2.632 . 0 0 "[ ]" 1
245 1 30 THR MG 1 31 THR HA 3.864 . 3.864 3.422 3.422 3.422 . 0 0 "[ ]" 1
246 1 30 THR H 1 31 THR HA 5.000 . 5.000 5.062 5.062 5.062 0.062 1 0 "[ ]" 1
247 1 30 THR HB 1 31 THR H . . 3.439 2.476 2.476 2.476 . 0 0 "[ ]" 1
248 1 30 THR H 1 31 THR H 3.551 . 3.551 2.451 2.451 2.451 . 0 0 "[ ]" 1
249 1 31 THR MG 1 32 MET HA 3.800 . 3.800 3.846 3.846 3.846 0.046 1 0 "[ ]" 1
250 1 31 THR MG 1 32 MET ME 6.000 . 6.000 5.014 5.014 5.014 . 0 0 "[ ]" 1
251 1 31 THR MG 1 32 MET QG 6.000 . 6.000 4.551 4.551 4.551 . 0 0 "[ ]" 1
252 1 31 THR H 1 32 MET H 3.489 . 3.489 2.602 2.602 2.602 . 0 0 "[ ]" 1
253 1 32 MET HA 1 33 GLN H 4.500 . 4.500 3.465 3.465 3.465 . 0 0 "[ ]" 1
254 1 32 MET H 1 33 GLN H 3.359 . 3.359 2.371 2.371 2.371 . 0 0 "[ ]" 1
255 1 33 GLN H 1 34 ASN H 3.284 . 3.284 2.560 2.560 2.560 . 0 0 "[ ]" 1
256 1 33 GLN H 1 34 ASN QB 5.000 . 5.000 4.304 4.304 4.304 . 0 0 "[ ]" 1
257 1 34 ASN QB 1 35 GLU H 4.039 . 4.039 2.523 2.523 2.523 . 0 0 "[ ]" 1
258 1 34 ASN H 1 35 GLU H 3.665 . 3.665 2.568 2.568 2.568 . 0 0 "[ ]" 1
259 1 35 GLU HA 1 36 ALA H 4.339 . 4.339 3.503 3.503 3.503 . 0 0 "[ ]" 1
260 1 35 GLU H 1 36 ALA H 3.650 . 3.650 2.422 2.422 2.422 . 0 0 "[ ]" 1
261 1 36 ALA MB 1 37 ARG H 3.661 . 3.661 2.416 2.416 2.416 . 0 0 "[ ]" 1
262 1 36 ALA H 1 37 ARG H 3.888 . 3.888 2.811 2.811 2.811 . 0 0 "[ ]" 1
263 1 37 ARG QB 1 38 ARG HA 3.327 . 3.327 3.421 3.421 3.421 0.094 1 0 "[ ]" 1
264 1 37 ARG HA 1 38 ARG H 4.050 . 4.050 3.499 3.499 3.499 . 0 0 "[ ]" 1
265 1 37 ARG QD 1 38 ARG H . . 4.310 4.321 4.321 4.321 0.011 1 0 "[ ]" 1
266 1 37 ARG QG 1 38 ARG H 4.176 . 4.176 4.190 4.190 4.190 0.014 1 0 "[ ]" 1
267 1 37 ARG H 1 38 ARG H 3.198 . 3.198 2.660 2.660 2.660 . 0 0 "[ ]" 1
268 1 38 ARG H 1 39 LEU QD 6.000 . 6.000 3.704 3.704 3.704 . 0 0 "[ ]" 1
269 1 38 ARG H 1 39 LEU H 3.713 . 3.713 3.042 3.042 3.042 . 0 0 "[ ]" 1
270 1 39 LEU QD 1 40 ARG QB 5.418 . 5.418 4.786 4.786 4.786 . 0 0 "[ ]" 1
271 1 41 ALA MB 1 42 GLU H 3.924 . 3.924 3.588 3.588 3.588 . 0 0 "[ ]" 1
272 1 49 GLN QG 1 50 GLU H 4.681 . 4.681 4.180 4.180 4.180 . 0 0 "[ ]" 1
273 1 49 GLN H 1 50 GLU H 5.035 . 5.035 4.335 4.335 4.335 . 0 0 "[ ]" 1
274 1 58 PHE QD 1 59 ILE HA 4.052 . 4.052 4.012 4.012 4.012 . 0 0 "[ ]" 1
275 1 58 PHE QE 1 59 ILE HA 6.000 . 6.000 6.004 6.004 6.004 0.004 1 0 "[ ]" 1
276 1 58 PHE H 1 59 ILE HA 4.862 . 4.862 4.470 4.470 4.470 . 0 0 "[ ]" 1
277 1 58 PHE QD 1 59 ILE QG 4.821 . 4.821 4.588 4.588 4.588 . 0 0 "[ ]" 1
278 1 58 PHE H 1 59 ILE QG 3.743 . 3.743 2.795 2.795 2.795 . 0 0 "[ ]" 1
279 1 58 PHE HA 1 59 ILE H 3.069 . 3.069 2.823 2.823 2.823 . 0 0 "[ ]" 1
280 1 58 PHE QB 1 59 ILE H . . 3.837 3.847 3.847 3.847 0.010 1 0 "[ ]" 1
281 1 58 PHE QD 1 59 ILE H 4.669 . 4.669 4.152 4.152 4.152 . 0 0 "[ ]" 1
282 1 58 PHE H 1 59 ILE H 3.502 . 3.502 2.336 2.336 2.336 . 0 0 "[ ]" 1
283 1 51 GLY QA 1 52 MET H 3.226 . 3.226 2.825 2.825 2.825 . 0 0 "[ ]" 1
284 1 51 GLY H 1 52 MET H 5.295 . 5.295 2.827 2.827 2.827 . 0 0 "[ ]" 1
285 1 55 VAL HA 1 56 ALA MB 5.699 . 5.699 3.839 3.839 3.839 . 0 0 "[ ]" 1
286 1 55 VAL H 1 56 ALA MB 5.487 . 5.487 4.619 4.619 4.619 . 0 0 "[ ]" 1
287 1 55 VAL HA 1 56 ALA H 3.158 . 3.158 3.222 3.222 3.222 0.064 1 0 "[ ]" 1
288 1 55 VAL HB 1 56 ALA H 3.453 . 3.453 3.479 3.479 3.479 0.026 1 0 "[ ]" 1
289 1 55 VAL QG 1 56 ALA H 4.190 . 4.190 3.590 3.590 3.590 . 0 0 "[ ]" 1
290 1 55 VAL H 1 56 ALA H 3.666 . 3.666 2.339 2.339 2.339 . 0 0 "[ ]" 1
291 1 56 ALA MB 1 57 ARG H 3.953 . 3.953 3.542 3.542 3.542 . 0 0 "[ ]" 1
292 1 56 ALA H 1 57 ARG H 3.503 . 3.503 3.504 3.504 3.504 0.001 1 0 "[ ]" 1
293 1 57 ARG HA 1 58 PHE H 2.939 . 2.939 2.625 2.625 2.625 . 0 0 "[ ]" 1
294 1 57 ARG QB 1 58 PHE H 3.591 . 3.591 1.987 1.987 1.987 . 0 0 "[ ]" 1
295 1 59 ILE MD 1 60 GLU H 4.184 . 4.184 3.622 3.622 3.622 . 0 0 "[ ]" 1
296 1 59 ILE H 1 60 GLU H 3.918 . 3.918 2.396 2.396 2.396 . 0 0 "[ ]" 1
297 1 64 SER HA 1 65 PHE H 3.749 . 3.749 2.147 2.147 2.147 . 0 0 "[ ]" 1
298 1 65 PHE HA 1 66 ALA H 3.653 . 3.653 2.258 2.258 2.258 . 0 0 "[ ]" 1
299 1 67 ASP QB 1 68 GLU H 5.601 . 5.601 3.794 3.794 3.794 . 0 0 "[ ]" 1
300 1 68 GLU HA 1 69 ASN H 2.989 . 2.989 2.400 2.400 2.400 . 0 0 "[ ]" 1
301 1 69 ASN H 1 70 LYS H 5.255 . 5.255 4.389 4.389 4.389 . 0 0 "[ ]" 1
302 1 70 LYS H 1 71 ASP HA 3.535 . 3.535 3.576 3.576 3.576 0.041 1 0 "[ ]" 1
303 1 71 ASP HA 1 72 TRP H 3.659 . 3.659 2.427 2.427 2.427 . 0 0 "[ ]" 1
304 1 71 ASP H 1 72 TRP H 4.243 . 4.243 4.404 4.404 4.404 0.161 1 0 "[ ]" 1
305 1 2 LYS QB 1 4 ARG HA 5.000 . 5.000 5.003 5.003 5.003 0.003 1 0 "[ ]" 1
306 1 3 GLN QE 1 5 ILE MD 6.000 . 6.000 5.874 5.874 5.874 . 0 0 "[ ]" 1
307 1 3 GLN QG 1 5 ILE MD . . 5.710 4.839 4.839 4.839 . 0 0 "[ ]" 1
308 1 3 GLN QE 1 5 ILE QG . . 4.260 3.371 3.371 3.371 . 0 0 "[ ]" 1
309 1 3 GLN QG 1 5 ILE QG 3.794 . 3.794 2.086 2.086 2.086 . 0 0 "[ ]" 1
310 1 3 GLN QG 1 5 ILE H 6.000 . 6.000 3.814 3.814 3.814 . 0 0 "[ ]" 1
311 1 4 ARG QG 1 6 THR HB . . 3.080 3.123 3.123 3.123 0.043 1 0 "[ ]" 1
312 1 4 ARG QB 1 6 THR MG . . 3.443 3.467 3.467 3.467 0.024 1 0 "[ ]" 1
313 1 4 ARG QD 1 6 THR MG . . 3.609 3.485 3.485 3.485 . 0 0 "[ ]" 1
314 1 4 ARG QG 1 6 THR MG 5.000 . 5.000 2.830 2.830 2.830 . 0 0 "[ ]" 1
315 1 5 ILE MD 1 7 VAL HB 6.000 . 6.000 4.922 4.922 4.922 . 0 0 "[ ]" 1
316 1 5 ILE HB 1 7 VAL QG 5.335 . 5.335 5.343 5.343 5.343 0.008 1 0 "[ ]" 1
317 1 5 ILE MD 1 7 VAL QG 4.154 . 4.154 3.763 3.763 3.763 . 0 0 "[ ]" 1
318 1 5 ILE QG 1 7 VAL QG 6.000 . 6.000 3.791 3.791 3.791 . 0 0 "[ ]" 1
319 1 5 ILE QG 1 7 VAL QG . . 3.932 3.740 3.740 3.740 . 0 0 "[ ]" 1
320 1 5 ILE MD 1 7 VAL H 5.238 . 5.238 4.875 4.875 4.875 . 0 0 "[ ]" 1
321 1 5 ILE QG 1 7 VAL H 5.268 . 5.268 3.881 3.881 3.881 . 0 0 "[ ]" 1
322 1 6 THR HA 1 9 VAL QG 6.000 . 6.000 5.858 5.858 5.858 . 0 0 "[ ]" 1
323 1 7 VAL QG 1 9 VAL QG 3.769 . 3.769 1.769 1.769 1.769 0.031 1 0 "[ ]" 1
324 1 10 ASP H 1 14 TYR QB 5.000 . 5.000 3.862 3.862 3.862 . 0 0 "[ ]" 1
325 1 10 ASP H 1 14 TYR QD 4.932 . 4.932 2.435 2.435 2.435 . 0 0 "[ ]" 1
326 1 10 ASP QB 1 14 TYR QE 5.300 . 5.300 5.008 5.008 5.008 . 0 0 "[ ]" 1
327 1 13 SER HA 1 15 GLN H 5.244 . 5.244 4.135 4.135 4.135 . 0 0 "[ ]" 1
328 1 14 TYR H 1 16 LEU H 5.000 . 5.000 4.196 4.196 4.196 . 0 0 "[ ]" 1
329 1 14 TYR HA 1 17 LEU H 3.800 . 3.800 3.805 3.805 3.805 0.005 1 0 "[ ]" 1
330 1 14 TYR HA 1 17 LEU QB 3.700 . 3.700 3.362 3.362 3.362 . 0 0 "[ ]" 1
331 1 14 TYR QB 1 17 LEU QD 6.000 . 6.000 5.676 5.676 5.676 . 0 0 "[ ]" 1
332 1 14 TYR HA 1 18 LYS H 4.800 . 4.800 4.698 4.698 4.698 . 0 0 "[ ]" 1
333 1 14 TYR QD 1 18 LYS QE 3.873 . 3.873 3.874 3.874 3.874 0.001 1 0 "[ ]" 1
334 1 14 TYR QE 1 18 LYS QE 4.877 . 4.877 3.086 3.086 3.086 . 0 0 "[ ]" 1
335 1 14 TYR HA 1 18 LYS QG 4.541 . 4.541 4.553 4.553 4.553 0.012 1 0 "[ ]" 1
336 1 14 TYR QD 1 18 LYS QG 4.079 . 4.079 3.352 3.352 3.352 . 0 0 "[ ]" 1
337 1 14 TYR QE 1 18 LYS QG 3.529 . 3.529 2.828 2.828 2.828 . 0 0 "[ ]" 1
338 1 15 GLN HA 1 18 LYS QG . . 3.890 1.866 1.866 1.866 . 0 0 "[ ]" 1
339 1 15 GLN QG 1 18 LYS QG 5.121 . 5.121 4.394 4.394 4.394 . 0 0 "[ ]" 1
340 1 16 LEU HA 1 19 ALA MB 3.800 . 3.800 2.234 2.234 2.234 . 0 0 "[ ]" 1
341 1 16 LEU QD 1 19 ALA MB . . 3.620 3.622 3.622 3.622 0.002 1 0 "[ ]" 1
342 1 16 LEU HA 1 19 ALA H 3.768 . 3.768 3.573 3.573 3.573 . 0 0 "[ ]" 1
343 1 16 LEU HA 1 20 TYR H 5.000 . 5.000 4.742 4.742 4.742 . 0 0 "[ ]" 1
344 1 16 LEU MD2 1 20 TYR QD 5.000 . 5.000 3.904 3.904 3.904 . 0 0 "[ ]" 1
345 1 16 LEU QB 1 20 TYR QE 5.146 . 5.146 3.290 3.290 3.290 . 0 0 "[ ]" 1
346 1 16 LEU MD2 1 20 TYR QE 5.000 . 5.000 2.090 2.090 2.090 . 0 0 "[ ]" 1
347 1 17 LEU HA 1 20 TYR QB 4.000 . 4.000 4.024 4.024 4.024 0.024 1 0 "[ ]" 1
348 1 17 LEU HA 1 20 TYR QD 4.048 . 4.048 3.849 3.849 3.849 . 0 0 "[ ]" 1
349 1 17 LEU QD 1 20 TYR QD 5.211 . 5.211 3.922 3.922 3.922 . 0 0 "[ ]" 1
350 1 17 LEU MD2 1 20 TYR QD 4.667 . 4.667 4.359 4.359 4.359 . 0 0 "[ ]" 1
351 1 17 LEU QD 1 20 TYR QE 6.000 . 6.000 4.656 4.656 4.656 . 0 0 "[ ]" 1
352 1 17 LEU MD2 1 20 TYR QE 5.584 . 5.584 4.930 4.930 4.930 . 0 0 "[ ]" 1
353 1 17 LEU QB 1 21 ASP H 5.000 . 5.000 5.047 5.047 5.047 0.047 1 0 "[ ]" 1
354 1 17 LEU QD 1 21 ASP H 4.375 . 4.375 4.068 4.068 4.068 . 0 0 "[ ]" 1
355 1 18 LYS QG 1 21 ASP H 5.000 . 5.000 4.957 4.957 4.957 . 0 0 "[ ]" 1
356 1 18 LYS H 1 22 VAL HA 5.000 . 5.000 4.000 4.000 4.000 . 0 0 "[ ]" 1
357 1 22 VAL HA 1 25 SER H 5.135 . 5.135 5.146 5.146 5.146 0.011 1 0 "[ ]" 1
358 1 22 VAL QG 1 26 GLY H 6.000 . 6.000 6.032 6.032 6.032 0.032 1 0 "[ ]" 1
359 1 24 ILE HA 1 26 GLY H 5.629 . 5.629 3.821 3.821 3.821 . 0 0 "[ ]" 1
360 1 24 ILE HA 1 27 LEU QB 3.778 . 3.778 1.800 1.800 1.800 0.000 1 0 "[ ]" 1
361 1 24 ILE HA 1 27 LEU QD 6.000 . 6.000 2.793 2.793 2.793 . 0 0 "[ ]" 1
362 1 24 ILE QG 1 27 LEU QD 3.534 . 3.534 3.540 3.540 3.540 0.006 1 0 "[ ]" 1
363 1 24 ILE QG 1 27 LEU QD 3.297 . 3.297 2.268 2.268 2.268 . 0 0 "[ ]" 1
364 1 24 ILE HA 1 27 LEU H 4.193 . 4.193 2.495 2.495 2.495 . 0 0 "[ ]" 1
365 1 25 SER H 1 27 LEU H 6.000 . 6.000 3.835 3.835 3.835 . 0 0 "[ ]" 1
366 1 24 ILE HA 1 28 VAL QG 4.889 . 4.889 4.391 4.391 4.391 . 0 0 "[ ]" 1
367 1 24 ILE HA 1 28 VAL H 5.531 . 5.531 3.858 3.858 3.858 . 0 0 "[ ]" 1
368 1 25 SER HA 1 28 VAL HB 5.000 . 5.000 3.238 3.238 3.238 . 0 0 "[ ]" 1
369 1 25 SER HA 1 28 VAL QG 5.648 . 5.648 2.367 2.367 2.367 . 0 0 "[ ]" 1
370 1 25 SER QB 1 28 VAL QG 4.354 . 4.354 3.715 3.715 3.715 . 0 0 "[ ]" 1
371 1 25 SER QB 1 28 VAL H 4.802 . 4.802 4.822 4.822 4.822 0.020 1 0 "[ ]" 1
372 1 26 GLY QA 1 28 VAL QG 6.000 . 6.000 4.422 4.422 4.422 . 0 0 "[ ]" 1
373 1 25 SER HA 1 29 SER H 5.000 . 5.000 5.024 5.024 5.024 0.024 1 0 "[ ]" 1
374 1 26 GLY H 1 29 SER H 6.000 . 6.000 5.351 5.351 5.351 . 0 0 "[ ]" 1
375 1 26 GLY QA 1 29 SER H . . 4.800 3.603 3.603 3.603 . 0 0 "[ ]" 1
376 1 27 LEU H 1 29 SER H 6.000 . 6.000 4.558 4.558 4.558 . 0 0 "[ ]" 1
377 1 26 GLY H 1 30 THR MG 5.932 . 5.932 7.318 7.318 7.318 1.386 1 1 [+] 1
378 1 27 LEU HA 1 30 THR H 4.800 . 4.800 2.994 2.994 2.994 . 0 0 "[ ]" 1
379 1 27 LEU QD 1 30 THR HB 6.000 . 6.000 3.603 3.603 3.603 . 0 0 "[ ]" 1
380 1 27 LEU HA 1 30 THR MG 4.505 . 4.505 3.240 3.240 3.240 . 0 0 "[ ]" 1
381 1 27 LEU QB 1 30 THR MG 5.544 . 5.544 4.404 4.404 4.404 . 0 0 "[ ]" 1
382 1 27 LEU QD 1 30 THR MG 3.434 . 3.434 3.618 3.618 3.618 0.184 1 0 "[ ]" 1
383 1 28 VAL H 1 30 THR H 6.000 . 6.000 3.816 3.816 3.816 . 0 0 "[ ]" 1
384 1 27 LEU HA 1 31 THR H 4.800 . 4.800 3.753 3.753 3.753 . 0 0 "[ ]" 1
385 1 27 LEU QD 1 31 THR MG 3.529 . 3.529 3.583 3.583 3.583 0.054 1 0 "[ ]" 1
386 1 28 VAL HA 1 31 THR HB 3.800 . 3.800 3.546 3.546 3.546 . 0 0 "[ ]" 1
387 1 28 VAL HA 1 31 THR MG . . 3.780 4.672 4.672 4.672 0.892 1 1 [+] 1
388 1 28 VAL QG 1 31 THR MG 3.894 . 3.894 4.834 4.834 4.834 0.940 1 1 [+] 1
389 1 28 VAL HA 1 31 THR H 5.876 . 5.876 3.794 3.794 3.794 . 0 0 "[ ]" 1
390 1 29 SER H 1 31 THR H 5.800 . 5.800 4.433 4.433 4.433 . 0 0 "[ ]" 1
391 1 28 VAL HA 1 32 MET H 5.800 . 5.800 4.926 4.926 4.926 . 0 0 "[ ]" 1
392 1 29 SER HA 1 32 MET H 5.800 . 5.800 3.417 3.417 3.417 . 0 0 "[ ]" 1
393 1 29 SER HA 1 32 MET QB 4.800 . 4.800 3.200 3.200 3.200 . 0 0 "[ ]" 1
394 1 29 SER HA 1 33 GLN H 6.000 . 6.000 4.685 4.685 4.685 . 0 0 "[ ]" 1
395 1 30 THR HA 1 33 GLN QB 5.600 . 5.600 2.588 2.588 2.588 . 0 0 "[ ]" 1
396 1 30 THR MG 1 33 GLN QB 4.256 . 4.256 3.289 3.289 3.289 . 0 0 "[ ]" 1
397 1 30 THR HA 1 33 GLN H 4.790 . 4.790 3.070 3.070 3.070 . 0 0 "[ ]" 1
398 1 31 THR H 1 33 GLN H 5.500 . 5.500 4.045 4.045 4.045 . 0 0 "[ ]" 1
399 1 30 THR MG 1 33 GLN H 5.187 . 5.187 4.030 4.030 4.030 . 0 0 "[ ]" 1
400 1 30 THR MG 1 34 ASN QB 3.939 . 3.939 3.988 3.988 3.988 0.049 1 0 "[ ]" 1
401 1 31 THR HA 1 34 ASN QB 4.800 2.800 4.800 3.251 3.251 3.251 . 0 0 "[ ]" 1
402 1 31 THR MG 1 34 ASN QB 3.803 . 3.803 3.836 3.836 3.836 0.033 1 0 "[ ]" 1
403 1 31 THR MG 1 34 ASN QD 3.983 . 3.983 4.009 4.009 4.009 0.026 1 0 "[ ]" 1
404 1 31 THR HA 1 34 ASN H 3.628 . 3.628 3.634 3.634 3.634 0.006 1 0 "[ ]" 1
405 1 31 THR MG 1 35 GLU QG 5.049 . 5.049 3.956 3.956 3.956 . 0 0 "[ ]" 1
406 1 31 THR HA 1 35 GLU H 4.974 . 4.974 4.378 4.378 4.378 . 0 0 "[ ]" 1
407 1 32 MET HA 1 35 GLU H 5.800 2.800 5.800 3.237 3.237 3.237 . 0 0 "[ ]" 1
408 1 33 GLN HA 1 36 ALA MB 2.841 . 2.841 1.799 1.799 1.799 0.001 1 0 "[ ]" 1
409 1 33 GLN QG 1 36 ALA MB 5.000 . 5.000 3.072 3.072 3.072 . 0 0 "[ ]" 1
410 1 33 GLN QB 1 36 ALA MB . . 3.700 3.736 3.736 3.736 0.036 1 0 "[ ]" 1
411 1 34 ASN H 1 36 ALA MB 5.289 . 5.289 4.093 4.093 4.093 . 0 0 "[ ]" 1
412 1 33 GLN HA 1 37 ARG H 3.790 . 3.790 3.792 3.792 3.792 0.002 1 0 "[ ]" 1
413 1 34 ASN HA 1 37 ARG H 3.399 . 3.399 3.416 3.416 3.416 0.017 1 0 "[ ]" 1
414 1 34 ASN HA 1 37 ARG QB 3.800 . 3.800 2.677 2.677 2.677 . 0 0 "[ ]" 1
415 1 35 GLU H 1 37 ARG H 6.000 . 6.000 4.155 4.155 4.155 . 0 0 "[ ]" 1
416 1 34 ASN HA 1 38 ARG H 3.805 . 3.805 3.848 3.848 3.848 0.043 1 0 "[ ]" 1
417 1 35 GLU HA 1 38 ARG H 4.907 . 4.907 3.374 3.374 3.374 . 0 0 "[ ]" 1
418 1 36 ALA H 1 38 ARG H 5.449 . 5.449 4.158 4.158 4.158 . 0 0 "[ ]" 1
419 1 36 ALA HA 1 39 LEU QB 4.192 . 4.192 3.048 3.048 3.048 . 0 0 "[ ]" 1
420 1 36 ALA HA 1 39 LEU QD . . 4.105 1.846 1.846 1.846 . 0 0 "[ ]" 1
421 1 36 ALA MB 1 39 LEU QD . . 5.086 3.288 3.288 3.288 . 0 0 "[ ]" 1
422 1 36 ALA MB 1 39 LEU H 4.790 . 4.790 4.826 4.826 4.826 0.036 1 0 "[ ]" 1
423 1 37 ARG H 1 39 LEU H 4.659 . 4.659 4.387 4.387 4.387 . 0 0 "[ ]" 1
424 1 56 ALA MB 1 58 PHE QB 5.987 . 5.987 5.239 5.239 5.239 . 0 0 "[ ]" 1
425 1 66 ALA MB 1 68 GLU H 4.886 . 4.886 4.881 4.881 4.881 . 0 0 "[ ]" 1
426 1 7 VAL QG 1 12 ASP H 4.950 . 4.950 4.972 4.972 4.972 0.022 1 0 "[ ]" 1
427 1 7 VAL QG 1 13 SER QB 6.000 . 6.000 5.940 5.940 5.940 . 0 0 "[ ]" 1
428 1 7 VAL QG 1 14 TYR HA 4.659 . 4.659 4.739 4.739 4.739 0.080 1 0 "[ ]" 1
429 1 7 VAL QG 1 14 TYR QB 4.901 . 4.901 2.918 2.918 2.918 . 0 0 "[ ]" 1
430 1 7 VAL QG 1 14 TYR QD . . 4.233 3.785 3.785 3.785 . 0 0 "[ ]" 1
431 1 7 VAL QG 1 14 TYR QE . . 4.679 4.672 4.672 4.672 . 0 0 "[ ]" 1
432 1 7 VAL QG 1 14 TYR H 5.476 . 5.476 4.399 4.399 4.399 . 0 0 "[ ]" 1
433 1 9 VAL QG 1 14 TYR HA 4.787 . 4.787 3.532 3.532 3.532 . 0 0 "[ ]" 1
434 1 10 ASP H 1 15 GLN HA 4.603 . 4.603 4.635 4.635 4.635 0.032 1 0 "[ ]" 1
435 1 14 TYR QD 1 24 ILE MD 3.605 . 3.605 3.358 3.358 3.358 . 0 0 "[ ]" 1
436 1 14 TYR QE 1 24 ILE MD 3.518 . 3.518 2.436 2.436 2.436 . 0 0 "[ ]" 1
437 1 14 TYR QD 1 24 ILE QG 3.466 . 3.466 2.753 2.753 2.753 . 0 0 "[ ]" 1
438 1 14 TYR QE 1 24 ILE QG 3.282 . 3.282 3.064 3.064 3.064 . 0 0 "[ ]" 1
439 1 14 TYR QD 1 24 ILE QG 5.719 . 5.719 2.736 2.736 2.736 . 0 0 "[ ]" 1
440 1 14 TYR QE 1 24 ILE QG 4.555 . 4.555 3.037 3.037 3.037 . 0 0 "[ ]" 1
441 1 14 TYR HA 1 24 ILE QG 3.718 . 3.718 3.803 3.803 3.803 0.085 1 0 "[ ]" 1
442 1 14 TYR QE 1 25 SER QB 4.271 . 4.271 4.272 4.272 4.272 0.001 1 0 "[ ]" 1
443 1 5 ILE MD 1 28 VAL HB 5.774 . 5.774 3.646 3.646 3.646 . 0 0 "[ ]" 1
444 1 5 ILE MD 1 28 VAL QG . . 4.424 1.794 1.794 1.794 0.006 1 0 "[ ]" 1
445 1 5 ILE QG 1 28 VAL QG 3.160 . 3.160 3.180 3.180 3.180 0.020 1 0 "[ ]" 1
446 1 5 ILE QG 1 28 VAL QG . . 5.718 3.070 3.070 3.070 . 0 0 "[ ]" 1
447 1 14 TYR QD 1 28 VAL QG 6.000 . 6.000 4.001 4.001 4.001 . 0 0 "[ ]" 1
448 1 14 TYR QE 1 28 VAL QG 6.000 . 6.000 4.691 4.691 4.691 . 0 0 "[ ]" 1
449 1 5 ILE MD 1 32 MET ME 4.009 . 4.009 2.813 2.813 2.813 . 0 0 "[ ]" 1
450 1 5 ILE QG 1 32 MET ME 5.781 . 5.781 3.980 3.980 3.980 . 0 0 "[ ]" 1
451 1 5 ILE HA 2 6 THR MG 6.000 . 6.000 6.790 6.790 6.790 0.790 1 1 [+] 1
452 1 6 THR MG 2 5 ILE HA 6.000 . 6.000 6.619 6.619 6.619 0.619 1 1 [+] 1
453 1 6 THR MG 2 6 THR HB 6.000 . 6.000 3.344 3.344 3.344 . 0 0 "[ ]" 1
454 1 6 THR HB 2 6 THR MG 6.000 . 6.000 3.509 3.509 3.509 . 0 0 "[ ]" 1
455 1 6 THR MG 2 6 THR MG 6.000 . 6.000 4.353 4.353 4.353 . 0 0 "[ ]" 1
456 1 7 VAL QG 2 3 GLN QG 6.000 . 6.000 5.350 5.350 5.350 . 0 0 "[ ]" 1
457 1 3 GLN QG 2 7 VAL QG 6.000 . 6.000 5.340 5.340 5.340 . 0 0 "[ ]" 1
458 1 7 VAL QG 2 3 GLN H 6.000 . 6.000 6.017 6.017 6.017 0.017 1 0 "[ ]" 1
459 1 3 GLN H 2 7 VAL QG 6.000 . 6.000 6.038 6.038 6.038 0.038 1 0 "[ ]" 1
460 1 4 ARG QB 2 7 VAL QG 6.000 . 6.000 6.017 6.017 6.017 0.017 1 0 "[ ]" 1
461 1 7 VAL QG 2 4 ARG QB 6.000 . 6.000 5.934 5.934 5.934 . 0 0 "[ ]" 1
462 1 4 ARG HA 2 7 VAL H 6.000 . 6.000 5.001 5.001 5.001 . 0 0 "[ ]" 1
463 1 7 VAL H 2 4 ARG HA 6.000 . 6.000 4.990 4.990 4.990 . 0 0 "[ ]" 1
464 1 7 VAL QG 2 5 ILE H 6.000 . 6.000 3.452 3.452 3.452 . 0 0 "[ ]" 1
465 1 5 ILE H 2 7 VAL QG 6.000 . 6.000 3.764 3.764 3.764 . 0 0 "[ ]" 1
466 1 7 VAL H 2 5 ILE H 6.000 . 6.000 3.667 3.667 3.667 . 0 0 "[ ]" 1
467 1 5 ILE H 2 7 VAL H 6.000 . 6.000 3.709 3.709 3.709 . 0 0 "[ ]" 1
468 1 5 ILE MD 2 7 VAL HB 6.000 . 6.000 4.318 4.318 4.318 . 0 0 "[ ]" 1
469 1 7 VAL HB 2 5 ILE MD 6.000 . 6.000 4.652 4.652 4.652 . 0 0 "[ ]" 1
470 1 5 ILE HB 2 7 VAL QG 6.000 . 6.000 3.995 3.995 3.995 . 0 0 "[ ]" 1
471 1 7 VAL QG 2 5 ILE MD 6.000 . 6.000 2.230 2.230 2.230 . 0 0 "[ ]" 1
472 1 5 ILE QG 2 7 VAL QG 6.000 . 6.000 1.795 1.795 1.795 0.005 1 0 "[ ]" 1
473 1 5 ILE QG 2 7 VAL QG 6.000 . 6.000 1.784 1.784 1.784 0.016 1 0 "[ ]" 1
474 1 7 VAL QG 2 5 ILE QG 6.000 . 6.000 1.764 1.764 1.764 0.036 1 0 "[ ]" 1
475 1 3 GLN HA 2 8 THR MG . . 4.661 4.554 4.554 4.554 . 0 0 "[ ]" 1
476 1 8 THR MG 2 3 GLN HA . . 4.661 4.665 4.665 4.665 0.004 1 0 "[ ]" 1
477 1 8 THR MG 2 3 GLN H 6.000 . 6.000 4.392 4.392 4.392 . 0 0 "[ ]" 1
478 1 3 GLN H 2 8 THR MG 6.000 . 6.000 2.709 2.709 2.709 . 0 0 "[ ]" 1
479 1 4 ARG HA 2 8 THR MG 3.728 . 3.728 3.738 3.738 3.738 0.010 1 0 "[ ]" 1
480 1 8 THR MG 2 4 ARG HA 3.728 . 3.728 2.308 2.308 2.308 . 0 0 "[ ]" 1
481 1 8 THR HA 2 4 ARG QG 4.500 . 4.500 3.337 3.337 3.337 . 0 0 "[ ]" 1
482 1 4 ARG QG 2 8 THR HA 4.500 . 4.500 3.303 3.303 3.303 . 0 0 "[ ]" 1
483 1 8 THR HB 2 4 ARG QG 4.358 . 4.358 4.380 4.380 4.380 0.022 1 0 "[ ]" 1
484 1 4 ARG QG 2 8 THR HB 3.478 . 3.478 3.499 3.499 3.499 0.021 1 0 "[ ]" 1
485 1 4 ARG QD 2 6 THR MG . . 3.526 3.582 3.582 3.582 0.056 1 0 "[ ]" 1
486 1 6 THR MG 2 4 ARG QD . . 3.499 3.844 3.844 3.844 0.345 1 0 "[ ]" 1
487 1 8 THR MG 2 4 ARG H 4.862 . 4.862 3.713 3.713 3.713 . 0 0 "[ ]" 1
488 1 4 ARG H 2 8 THR MG 4.862 . 4.862 4.611 4.611 4.611 . 0 0 "[ ]" 1
489 1 9 VAL H 2 3 GLN H 6.000 . 6.000 3.798 3.798 3.798 . 0 0 "[ ]" 1
490 1 3 GLN H 2 9 VAL H 6.000 . 6.000 3.621 3.621 3.621 . 0 0 "[ ]" 1
491 1 3 GLN QG 2 9 VAL H 5.700 . 5.700 3.688 3.688 3.688 . 0 0 "[ ]" 1
492 1 9 VAL H 2 3 GLN QG 5.700 . 5.700 3.967 3.967 3.967 . 0 0 "[ ]" 1
493 1 4 ARG HA 2 9 VAL H 6.000 . 6.000 3.523 3.523 3.523 . 0 0 "[ ]" 1
494 1 9 VAL H 2 4 ARG HA 6.000 . 6.000 3.551 3.551 3.551 . 0 0 "[ ]" 1
495 1 4 ARG H 2 9 VAL H 6.000 . 6.000 4.998 4.998 4.998 . 0 0 "[ ]" 1
496 1 9 VAL H 2 4 ARG H 6.000 . 6.000 5.112 5.112 5.112 . 0 0 "[ ]" 1
497 1 9 VAL QG 2 5 ILE MD 6.000 . 6.000 2.644 2.644 2.644 . 0 0 "[ ]" 1
498 1 5 ILE MD 2 9 VAL QG 6.000 . 6.000 2.151 2.151 2.151 . 0 0 "[ ]" 1
499 1 9 VAL QG 2 5 ILE QG 6.000 . 6.000 3.695 3.695 3.695 . 0 0 "[ ]" 1
500 1 5 ILE QG 2 9 VAL QG 6.000 . 6.000 1.981 1.981 1.981 . 0 0 "[ ]" 1
501 1 9 VAL QG 2 5 ILE QG 6.000 . 6.000 1.905 1.905 1.905 . 0 0 "[ ]" 1
502 1 9 VAL QG 2 5 ILE H 6.000 . 6.000 3.862 3.862 3.862 . 0 0 "[ ]" 1
503 1 5 ILE H 2 9 VAL QG 6.000 . 6.000 3.810 3.810 3.810 . 0 0 "[ ]" 1
504 1 5 ILE HB 2 9 VAL QG 6.000 . 6.000 4.091 4.091 4.091 . 0 0 "[ ]" 1
505 1 9 VAL QG 2 5 ILE HB 6.000 . 6.000 4.107 4.107 4.107 . 0 0 "[ ]" 1
506 1 3 GLN QG 2 14 TYR QD 3.831 . 3.831 3.476 3.476 3.476 . 0 0 "[ ]" 1
507 1 14 TYR QD 2 3 GLN QG 3.831 . 3.831 3.650 3.650 3.650 . 0 0 "[ ]" 1
508 1 3 GLN QG 2 14 TYR QE 3.596 . 3.596 2.033 2.033 2.033 . 0 0 "[ ]" 1
509 1 14 TYR QE 2 3 GLN QG 3.596 . 3.596 1.840 1.840 1.840 . 0 0 "[ ]" 1
510 1 5 ILE MD 2 14 TYR HA 6.000 . 6.000 3.925 3.925 3.925 . 0 0 "[ ]" 1
511 1 14 TYR HA 2 5 ILE MD 6.000 . 6.000 4.003 4.003 4.003 . 0 0 "[ ]" 1
512 1 14 TYR HA 2 5 ILE QG 6.000 . 6.000 4.631 4.631 4.631 . 0 0 "[ ]" 1
513 1 5 ILE QG 2 14 TYR HA 6.000 . 6.000 4.666 4.666 4.666 . 0 0 "[ ]" 1
514 1 5 ILE HB 2 14 TYR QD 5.140 . 5.140 3.738 3.738 3.738 . 0 0 "[ ]" 1
515 1 14 TYR QD 2 5 ILE HB 5.140 . 5.140 3.679 3.679 3.679 . 0 0 "[ ]" 1
516 1 5 ILE MD 2 14 TYR QD 3.901 . 3.901 1.906 1.906 1.906 . 0 0 "[ ]" 1
517 1 14 TYR QD 2 5 ILE MD 4.086 . 4.086 1.885 1.885 1.885 . 0 0 "[ ]" 1
518 1 5 ILE QG 2 14 TYR QD 4.393 . 4.393 2.603 2.603 2.603 . 0 0 "[ ]" 1
519 1 14 TYR QD 2 5 ILE QG 4.535 . 4.535 2.592 2.592 2.592 . 0 0 "[ ]" 1
520 1 5 ILE HB 2 14 TYR QE 4.408 . 4.408 2.606 2.606 2.606 . 0 0 "[ ]" 1
521 1 14 TYR QE 2 5 ILE HB 4.408 . 4.408 2.513 2.513 2.513 . 0 0 "[ ]" 1
522 1 5 ILE MD 2 14 TYR QE 3.722 . 3.722 2.331 2.331 2.331 . 0 0 "[ ]" 1
523 1 14 TYR QE 2 5 ILE MD 3.919 . 3.919 2.155 2.155 2.155 . 0 0 "[ ]" 1
524 1 5 ILE QG 2 14 TYR QE 3.713 . 3.713 2.424 2.424 2.424 . 0 0 "[ ]" 1
525 1 14 TYR QE 2 5 ILE QG 4.263 . 4.263 2.636 2.636 2.636 . 0 0 "[ ]" 1
526 1 3 GLN QB 2 15 GLN HA 6.000 . 6.000 5.270 5.270 5.270 . 0 0 "[ ]" 1
527 1 15 GLN HA 2 3 GLN QB 6.000 . 6.000 5.207 5.207 5.207 . 0 0 "[ ]" 1
528 1 3 GLN QB 2 15 GLN H 5.301 . 5.301 5.332 5.332 5.332 0.031 1 0 "[ ]" 1
529 1 15 GLN H 2 3 GLN QB 5.301 . 5.301 5.317 5.317 5.317 0.016 1 0 "[ ]" 1
530 1 5 ILE MD 2 15 GLN QG 6.000 . 6.000 6.018 6.018 6.018 0.018 1 0 "[ ]" 1
531 1 15 GLN QG 2 5 ILE MD 6.000 . 6.000 6.051 6.051 6.051 0.051 1 0 "[ ]" 1
532 1 18 LYS QG 2 5 ILE MD 6.000 . 6.000 4.391 4.391 4.391 . 0 0 "[ ]" 1
533 1 5 ILE MD 2 18 LYS QG 6.000 . 6.000 4.719 4.719 4.719 . 0 0 "[ ]" 1
534 1 5 ILE MD 2 24 ILE MD 3.700 . 3.700 3.706 3.706 3.706 0.006 1 0 "[ ]" 1
535 1 24 ILE MD 2 5 ILE MD 3.700 . 3.700 3.365 3.365 3.365 . 0 0 "[ ]" 1
536 1 5 ILE MD 2 24 ILE QG 4.183 . 4.183 3.012 3.012 3.012 . 0 0 "[ ]" 1
537 1 24 ILE QG 2 5 ILE MD 4.349 . 4.349 2.841 2.841 2.841 . 0 0 "[ ]" 1
538 1 7 VAL QG 2 24 ILE QG 4.660 . 4.660 4.713 4.713 4.713 0.053 1 0 "[ ]" 1
539 1 24 ILE QG 2 7 VAL QG 4.660 . 4.660 4.690 4.690 4.690 0.030 1 0 "[ ]" 1
540 1 28 VAL HA 2 7 VAL QG 5.709 . 5.709 4.298 4.298 4.298 . 0 0 "[ ]" 1
541 1 7 VAL QG 2 28 VAL HA 5.709 . 5.709 4.486 4.486 4.486 . 0 0 "[ ]" 1
542 1 7 VAL QG 2 28 VAL QG 4.110 . 4.110 1.889 1.889 1.889 . 0 0 "[ ]" 1
543 1 28 VAL QG 2 7 VAL QG . . 5.764 1.798 1.798 1.798 0.002 1 0 "[ ]" 1
544 1 7 VAL HB 2 28 VAL H 4.878 . 4.878 4.899 4.899 4.899 0.021 1 0 "[ ]" 1
545 1 28 VAL H 2 7 VAL HB 4.878 . 4.878 4.890 4.890 4.890 0.012 1 0 "[ ]" 1
546 1 28 VAL HB 2 9 VAL QG 4.556 . 4.556 4.263 4.263 4.263 . 0 0 "[ ]" 1
547 1 9 VAL QG 2 28 VAL HB 4.556 . 4.556 4.341 4.341 4.341 . 0 0 "[ ]" 1
548 1 28 VAL QG 2 9 VAL QG 3.083 . 3.083 3.150 3.150 3.150 0.067 1 0 "[ ]" 1
549 1 9 VAL QG 2 28 VAL QG 3.083 . 3.083 3.131 3.131 3.131 0.048 1 0 "[ ]" 1
550 1 29 SER QB 2 7 VAL QG . . 4.081 2.659 2.659 2.659 . 0 0 "[ ]" 1
551 1 7 VAL QG 2 29 SER QB . . 4.081 3.238 3.238 3.238 . 0 0 "[ ]" 1
552 1 14 TYR HA 2 29 SER H 5.000 . 5.000 5.065 5.065 5.065 0.065 1 0 "[ ]" 1
553 1 29 SER H 2 14 TYR HA 5.000 . 5.000 5.107 5.107 5.107 0.107 1 0 "[ ]" 1
554 1 27 LEU QD 2 31 THR MG 3.500 . 3.500 2.463 2.463 2.463 . 0 0 "[ ]" 1
555 1 31 THR MG 2 27 LEU QD 3.500 . 3.500 2.920 2.920 2.920 . 0 0 "[ ]" 1
556 1 28 VAL QG 2 31 THR MG 5.000 . 5.000 3.792 3.792 3.792 . 0 0 "[ ]" 1
557 1 31 THR MG 2 28 VAL QG 5.000 . 5.000 4.871 4.871 4.871 . 0 0 "[ ]" 1
558 1 31 THR MG 2 31 THR MG 3.500 . 3.500 2.408 2.408 2.408 . 0 0 "[ ]" 1
559 1 7 VAL QG 2 32 MET ME . . 3.965 3.755 3.755 3.755 . 0 0 "[ ]" 1
560 1 32 MET ME 2 7 VAL QG . . 3.965 3.846 3.846 3.846 . 0 0 "[ ]" 1
561 1 9 VAL QG 2 32 MET ME 3.618 . 3.618 3.646 3.646 3.646 0.028 1 0 "[ ]" 1
562 1 32 MET ME 2 9 VAL QG 3.618 . 3.618 3.681 3.681 3.681 0.063 1 0 "[ ]" 1
563 1 32 MET ME 2 14 TYR QD 3.430 . 3.430 2.071 2.071 2.071 . 0 0 "[ ]" 1
564 1 14 TYR QD 2 32 MET ME 3.430 . 3.430 1.935 1.935 1.935 . 0 0 "[ ]" 1
565 1 32 MET ME 2 14 TYR QE 4.081 . 4.081 3.622 3.622 3.622 . 0 0 "[ ]" 1
566 1 14 TYR QE 2 32 MET ME 4.081 . 4.081 3.492 3.492 3.492 . 0 0 "[ ]" 1
567 1 14 TYR HA 2 32 MET ME 3.000 . 3.000 1.838 1.838 1.838 . 0 0 "[ ]" 1
568 1 32 MET ME 2 14 TYR HA 3.000 . 3.000 1.962 1.962 1.962 . 0 0 "[ ]" 1
569 1 17 LEU HA 2 32 MET ME 5.000 . 5.000 5.091 5.091 5.091 0.091 1 0 "[ ]" 1
570 1 32 MET ME 2 17 LEU HA 5.000 . 5.000 5.029 5.029 5.029 0.029 1 0 "[ ]" 1
571 1 24 ILE HA 2 32 MET ME 4.800 . 4.800 4.727 4.727 4.727 . 0 0 "[ ]" 1
572 1 32 MET ME 2 24 ILE HA 4.800 . 4.800 4.319 4.319 4.319 . 0 0 "[ ]" 1
573 1 24 ILE HB 2 32 MET ME 6.000 . 6.000 2.859 2.859 2.859 . 0 0 "[ ]" 1
574 1 32 MET ME 2 24 ILE HB 6.000 . 6.000 2.263 2.263 2.263 . 0 0 "[ ]" 1
575 1 24 ILE MD 2 32 MET ME 3.012 . 3.012 3.080 3.080 3.080 0.068 1 0 "[ ]" 1
576 1 32 MET ME 2 24 ILE MD 3.012 . 3.012 3.115 3.115 3.115 0.103 1 0 "[ ]" 1
577 1 24 ILE QG 2 32 MET ME 3.575 . 3.575 1.735 1.735 1.735 0.065 1 0 "[ ]" 1
578 1 32 MET ME 2 24 ILE QG 3.575 . 3.575 1.736 1.736 1.736 0.064 1 0 "[ ]" 1
579 1 24 ILE QG 2 32 MET ME 2.920 . 2.920 1.727 1.727 1.727 0.073 1 0 "[ ]" 1
580 1 32 MET ME 2 24 ILE QG 2.920 . 2.920 1.708 1.708 1.708 0.092 1 0 "[ ]" 1
581 1 28 VAL QG 2 32 MET QG 4.500 . 4.500 4.503 4.503 4.503 0.003 1 0 "[ ]" 1
582 1 32 MET QG 2 28 VAL QG 4.500 . 4.500 4.542 4.542 4.542 0.042 1 0 "[ ]" 1
583 1 28 VAL QG 2 32 MET ME 3.671 . 3.671 2.745 2.745 2.745 . 0 0 "[ ]" 1
584 1 32 MET ME 2 28 VAL QG 3.671 . 3.671 2.712 2.712 2.712 . 0 0 "[ ]" 1
585 1 28 VAL H 2 32 MET ME 4.500 . 4.500 4.572 4.572 4.572 0.072 1 0 "[ ]" 1
586 1 32 MET ME 2 28 VAL H 4.500 . 4.500 4.526 4.526 4.526 0.026 1 0 "[ ]" 1
587 1 16 LEU QD 2 36 ALA HA . . 3.498 3.369 3.369 3.369 . 0 0 "[ ]" 1
588 1 36 ALA HA 2 16 LEU QD . . 3.498 2.576 2.576 2.576 . 0 0 "[ ]" 1
589 1 16 LEU QD 2 36 ALA MB 3.500 . 3.500 1.800 1.800 1.800 . 0 0 "[ ]" 1
590 1 36 ALA MB 2 16 LEU QD 3.500 . 3.500 1.792 1.792 1.792 0.008 1 0 "[ ]" 1
591 1 17 LEU QD 2 36 ALA HA 3.486 . 3.486 3.194 3.194 3.194 . 0 0 "[ ]" 1
592 1 36 ALA HA 2 17 LEU QD 3.486 . 3.486 3.339 3.339 3.339 . 0 0 "[ ]" 1
593 1 36 ALA MB 2 17 LEU QD 3.979 . 3.979 3.359 3.359 3.359 . 0 0 "[ ]" 1
594 1 17 LEU QD 2 36 ALA MB 3.979 . 3.979 3.151 3.151 3.151 . 0 0 "[ ]" 1
595 1 17 LEU QD 2 36 ALA H 4.418 . 4.418 3.268 3.268 3.268 . 0 0 "[ ]" 1
596 1 36 ALA H 2 17 LEU QD 4.418 . 4.418 3.093 3.093 3.093 . 0 0 "[ ]" 1
597 1 16 LEU QD 2 37 ARG QD 5.000 . 5.000 3.479 3.479 3.479 . 0 0 "[ ]" 1
598 1 37 ARG QD 2 16 LEU QD 5.000 . 5.000 5.007 5.007 5.007 0.007 1 0 "[ ]" 1
599 1 17 LEU HA 2 39 LEU QD 4.296 . 4.296 3.203 3.203 3.203 . 0 0 "[ ]" 1
600 1 39 LEU QD 2 17 LEU HA 4.296 . 4.296 3.136 3.136 3.136 . 0 0 "[ ]" 1
601 1 39 LEU QD 2 18 LYS H 5.869 . 5.869 5.923 5.923 5.923 0.054 1 0 "[ ]" 1
602 1 18 LYS H 2 39 LEU QD 5.869 . 5.869 5.883 5.883 5.883 0.014 1 0 "[ ]" 1
603 1 39 LEU QB 2 20 TYR QD 3.534 . 3.534 3.576 3.576 3.576 0.042 1 0 "[ ]" 1
604 1 20 TYR QD 2 39 LEU QB 3.534 . 3.534 3.585 3.585 3.585 0.051 1 0 "[ ]" 1
605 1 39 LEU QB 2 20 TYR QE 4.541 . 4.541 3.164 3.164 3.164 . 0 0 "[ ]" 1
606 1 20 TYR QE 2 39 LEU QB 4.541 . 4.541 3.612 3.612 3.612 . 0 0 "[ ]" 1
607 1 20 TYR QD 2 39 LEU MD2 . . 3.739 3.768 3.768 3.768 0.029 1 0 "[ ]" 1
608 1 39 LEU MD2 2 20 TYR QD . . 3.739 3.136 3.136 3.136 . 0 0 "[ ]" 1
609 1 20 TYR QE 2 39 LEU MD2 . . 4.679 4.717 4.717 4.717 0.038 1 0 "[ ]" 1
610 1 39 LEU MD2 2 20 TYR QE . . 4.679 2.488 2.488 2.488 . 0 0 "[ ]" 1
611 1 39 LEU HG 2 20 TYR QD 3.611 . 3.611 3.627 3.627 3.627 0.016 1 0 "[ ]" 1
612 1 20 TYR QD 2 39 LEU HG 3.611 . 3.611 3.646 3.646 3.646 0.035 1 0 "[ ]" 1
613 1 39 LEU HG 2 20 TYR QE 3.687 . 3.687 2.088 2.088 2.088 . 0 0 "[ ]" 1
614 1 20 TYR QE 2 39 LEU HG 3.687 . 3.687 3.692 3.692 3.692 0.005 1 0 "[ ]" 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 34
_Distance_constraint_stats_list.Viol_count 8
_Distance_constraint_stats_list.Viol_total 0.164
_Distance_constraint_stats_list.Viol_max 0.049
_Distance_constraint_stats_list.Viol_rms 0.0113
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0048
_Distance_constraint_stats_list.Viol_average_violations_only 0.0205
_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 3 GLN 0.000 0.000 . 0 "[ ]"
1 5 ILE 0.017 0.017 1 0 "[ ]"
1 7 VAL 0.028 0.028 1 0 "[ ]"
1 9 VAL 0.001 0.001 1 0 "[ ]"
1 14 TYR 0.000 0.000 . 0 "[ ]"
1 15 GLN 0.000 0.000 . 0 "[ ]"
1 18 LYS 0.000 0.000 . 0 "[ ]"
1 19 ALA 0.000 0.000 . 0 "[ ]"
1 25 SER 0.049 0.049 1 0 "[ ]"
1 26 GLY 0.000 0.000 . 0 "[ ]"
1 27 LEU 0.000 0.000 . 0 "[ ]"
1 28 VAL 0.000 0.000 . 0 "[ ]"
1 29 SER 0.049 0.049 1 0 "[ ]"
1 30 THR 0.000 0.000 . 0 "[ ]"
1 31 THR 0.000 0.000 . 0 "[ ]"
1 32 MET 0.009 0.009 1 0 "[ ]"
1 33 GLN 0.000 0.000 . 0 "[ ]"
1 34 ASN 0.000 0.000 . 0 "[ ]"
1 35 GLU 0.012 0.012 1 0 "[ ]"
1 36 ALA 0.009 0.009 1 0 "[ ]"
1 37 ARG 0.000 0.000 . 0 "[ ]"
1 38 ARG 0.000 0.000 . 0 "[ ]"
1 39 LEU 0.012 0.012 1 0 "[ ]"
2 3 GLN 0.001 0.001 1 0 "[ ]"
2 5 ILE 0.028 0.028 1 0 "[ ]"
2 7 VAL 0.017 0.017 1 0 "[ ]"
2 9 VAL 0.000 0.000 . 0 "[ ]"
2 14 TYR 0.000 0.000 . 0 "[ ]"
2 15 GLN 0.000 0.000 . 0 "[ ]"
2 18 LYS 0.000 0.000 . 0 "[ ]"
2 19 ALA 0.000 0.000 . 0 "[ ]"
2 25 SER 0.031 0.031 1 0 "[ ]"
2 26 GLY 0.000 0.000 . 0 "[ ]"
2 27 LEU 0.017 0.017 1 0 "[ ]"
2 28 VAL 0.000 0.000 . 0 "[ ]"
2 29 SER 0.031 0.031 1 0 "[ ]"
2 30 THR 0.000 0.000 . 0 "[ ]"
2 31 THR 0.017 0.017 1 0 "[ ]"
2 32 MET 0.000 0.000 . 0 "[ ]"
2 33 GLN 0.000 0.000 . 0 "[ ]"
2 34 ASN 0.000 0.000 . 0 "[ ]"
2 35 GLU 0.000 0.000 . 0 "[ ]"
2 36 ALA 0.000 0.000 . 0 "[ ]"
2 37 ARG 0.000 0.000 . 0 "[ ]"
2 38 ARG 0.000 0.000 . 0 "[ ]"
2 39 LEU 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 GLN O 2 9 VAL H 1.800 . 2.800 1.916 1.916 1.916 . 0 0 "[ ]" 2
2 1 3 GLN H 2 9 VAL O 1.800 . 2.800 2.725 2.725 2.725 . 0 0 "[ ]" 2
3 1 5 ILE O 2 7 VAL H 1.800 . 2.800 2.041 2.041 2.041 . 0 0 "[ ]" 2
4 1 5 ILE H 2 7 VAL O 1.800 . 2.800 2.817 2.817 2.817 0.017 1 0 "[ ]" 2
5 1 7 VAL O 2 5 ILE H 1.800 . 2.800 2.828 2.828 2.828 0.028 1 0 "[ ]" 2
6 1 7 VAL H 2 5 ILE O 1.800 . 2.800 2.268 2.268 2.268 . 0 0 "[ ]" 2
7 1 9 VAL O 2 3 GLN H 1.800 . 2.800 2.801 2.801 2.801 0.001 1 0 "[ ]" 2
8 1 9 VAL H 2 3 GLN O 1.800 . 2.800 2.042 2.042 2.042 . 0 0 "[ ]" 2
9 1 14 TYR O 1 18 LYS H 1.800 . 2.800 2.302 2.302 2.302 . 0 0 "[ ]" 2
10 1 15 GLN O 1 19 ALA H 1.800 . 2.800 1.782 1.782 1.782 . 0 0 "[ ]" 2
11 1 25 SER O 1 29 SER H 1.800 . 2.800 2.849 2.849 2.849 0.049 1 0 "[ ]" 2
12 1 26 GLY O 1 30 THR H 1.800 . 2.800 2.362 2.362 2.362 . 0 0 "[ ]" 2
13 1 27 LEU O 1 31 THR H 1.800 . 2.800 1.663 1.663 1.663 . 0 0 "[ ]" 2
14 1 28 VAL O 1 32 MET H 1.800 . 2.800 2.664 2.664 2.664 . 0 0 "[ ]" 2
15 1 29 SER O 1 33 GLN H 1.800 . 2.800 2.593 2.593 2.593 . 0 0 "[ ]" 2
16 1 30 THR O 1 34 ASN H 1.800 . 2.800 2.347 2.347 2.347 . 0 0 "[ ]" 2
17 1 31 THR O 1 35 GLU H 1.800 . 2.800 2.362 2.362 2.362 . 0 0 "[ ]" 2
18 1 32 MET O 1 36 ALA H 1.800 . 2.800 1.591 1.591 1.591 0.009 1 0 "[ ]" 2
19 1 33 GLN O 1 37 ARG H 1.800 . 2.800 1.733 1.733 1.733 . 0 0 "[ ]" 2
20 1 34 ASN O 1 38 ARG H 1.800 . 2.800 1.836 1.836 1.836 . 0 0 "[ ]" 2
21 1 35 GLU O 1 39 LEU H 1.800 . 2.800 1.588 1.588 1.588 0.012 1 0 "[ ]" 2
22 2 14 TYR O 2 18 LYS H 1.800 . 2.800 2.101 2.101 2.101 . 0 0 "[ ]" 2
23 2 15 GLN O 2 19 ALA H 1.800 . 2.800 1.630 1.630 1.630 . 0 0 "[ ]" 2
24 2 25 SER O 2 29 SER H 1.800 . 2.800 2.831 2.831 2.831 0.031 1 0 "[ ]" 2
25 2 26 GLY O 2 30 THR H 1.800 . 2.800 2.309 2.309 2.309 . 0 0 "[ ]" 2
26 2 27 LEU O 2 31 THR H 1.800 . 2.800 1.583 1.583 1.583 0.017 1 0 "[ ]" 2
27 2 28 VAL O 2 32 MET H 1.800 . 2.800 2.371 2.371 2.371 . 0 0 "[ ]" 2
28 2 29 SER O 2 33 GLN H 1.800 . 2.800 2.745 2.745 2.745 . 0 0 "[ ]" 2
29 2 30 THR O 2 34 ASN H 1.800 . 2.800 2.204 2.204 2.204 . 0 0 "[ ]" 2
30 2 31 THR O 2 35 GLU H 1.800 . 2.800 2.495 2.495 2.495 . 0 0 "[ ]" 2
31 2 32 MET O 2 36 ALA H 1.800 . 2.800 1.626 1.626 1.626 . 0 0 "[ ]" 2
32 2 33 GLN O 2 37 ARG H 1.800 . 2.800 1.662 1.662 1.662 . 0 0 "[ ]" 2
33 2 34 ASN O 2 38 ARG H 1.800 . 2.800 1.990 1.990 1.990 . 0 0 "[ ]" 2
34 2 35 GLU O 2 39 LEU H 1.800 . 2.800 1.987 1.987 1.987 . 0 0 "[ ]" 2
stop_
save_
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