NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
653457 |
7jxg   |
50269 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_7jxg
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 530
_Distance_constraint_stats_list.Viol_count 631
_Distance_constraint_stats_list.Viol_total 300.582
_Distance_constraint_stats_list.Viol_max 0.291
_Distance_constraint_stats_list.Viol_rms 0.0432
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0158
_Distance_constraint_stats_list.Viol_average_violations_only 0.0794
_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 VAL 0.486 0.077 6 0 "[ . ]"
1 3 GLN 0.000 0.000 . 0 "[ . ]"
1 4 ALA 1.447 0.260 3 0 "[ . ]"
1 5 TRP 3.711 0.260 3 0 "[ . ]"
1 6 TYR 0.579 0.116 2 0 "[ . ]"
1 7 MET 0.986 0.152 3 0 "[ . ]"
1 8 ASP 1.288 0.197 3 0 "[ . ]"
1 9 ASP 1.127 0.197 3 0 "[ . ]"
1 10 ALA 0.338 0.076 3 0 "[ . ]"
1 11 PRO 0.000 0.000 . 0 "[ . ]"
1 12 GLY 0.406 0.076 3 0 "[ . ]"
1 13 ASP 0.000 0.000 . 0 "[ . ]"
1 14 PRO 0.000 0.000 . 0 "[ . ]"
1 15 ARG 0.000 0.000 . 0 "[ . ]"
1 16 GLN 0.000 0.000 . 0 "[ . ]"
1 17 PRO 0.906 0.128 2 0 "[ . ]"
1 18 HIS 0.370 0.126 1 0 "[ . ]"
1 19 ARG 1.157 0.164 2 0 "[ . ]"
1 20 PRO 0.000 0.000 . 0 "[ . ]"
1 21 ASP 0.000 0.000 . 0 "[ . ]"
1 22 PRO 0.000 0.000 . 0 "[ . ]"
1 23 GLY 0.000 0.000 . 0 "[ . ]"
1 24 ARG 0.411 0.116 2 0 "[ . ]"
1 25 PRO 1.232 0.200 1 0 "[ . ]"
1 26 VAL 3.945 0.266 2 0 "[ . ]"
1 27 GLY 0.957 0.148 2 0 "[ . ]"
1 28 LEU 1.452 0.266 2 0 "[ . ]"
1 29 GLU 0.017 0.017 2 0 "[ . ]"
1 30 GLN 0.670 0.157 2 0 "[ . ]"
1 31 LEU 1.248 0.118 1 0 "[ . ]"
1 32 ARG 0.166 0.071 1 0 "[ . ]"
1 33 ARG 0.676 0.167 6 0 "[ . ]"
1 34 LEU 0.685 0.118 1 0 "[ . ]"
1 35 GLY 0.000 0.000 . 0 "[ . ]"
1 36 VAL 1.415 0.167 6 0 "[ . ]"
1 37 LEU 1.119 0.117 5 0 "[ . ]"
1 38 TYR 0.149 0.027 5 0 "[ . ]"
1 39 TRP 2.036 0.244 1 0 "[ . ]"
1 40 LYS 0.000 0.000 . 0 "[ . ]"
1 41 LEU 0.867 0.128 4 0 "[ . ]"
1 42 ASP 0.664 0.291 2 0 "[ . ]"
1 43 ALA 2.209 0.291 2 0 "[ . ]"
1 44 ASP 1.621 0.222 6 0 "[ . ]"
1 45 LYS 0.000 0.000 . 0 "[ . ]"
1 46 TYR 2.419 0.289 6 0 "[ . ]"
1 47 GLU 1.899 0.289 6 0 "[ . ]"
1 48 ASN 0.714 0.147 6 0 "[ . ]"
1 49 ASP 0.991 0.147 6 0 "[ . ]"
1 50 PRO 1.026 0.204 2 0 "[ . ]"
1 51 GLU 0.194 0.085 5 0 "[ . ]"
1 52 LEU 0.792 0.106 4 0 "[ . ]"
1 53 GLU 0.000 0.000 . 0 "[ . ]"
1 54 LYS 0.275 0.085 5 0 "[ . ]"
1 55 ILE 1.174 0.167 1 0 "[ . ]"
1 56 ARG 0.681 0.195 5 0 "[ . ]"
1 57 ARG 0.076 0.046 2 0 "[ . ]"
1 58 GLU 0.000 0.000 . 0 "[ . ]"
1 59 ARG 0.003 0.003 3 0 "[ . ]"
1 60 ASN 0.276 0.067 5 0 "[ . ]"
1 61 TYR 0.662 0.195 5 0 "[ . ]"
1 62 SER 0.268 0.047 4 0 "[ . ]"
1 63 TRP 0.480 0.100 5 0 "[ . ]"
1 64 MET 0.216 0.068 5 0 "[ . ]"
1 65 ASP 0.160 0.100 5 0 "[ . ]"
1 66 ILE 0.556 0.121 6 0 "[ . ]"
1 67 ILE 0.148 0.097 6 0 "[ . ]"
1 68 THR 0.023 0.009 5 0 "[ . ]"
1 69 ILE 0.349 0.096 4 0 "[ . ]"
1 70 CYS 0.047 0.031 5 0 "[ . ]"
1 71 LYS 0.190 0.080 2 0 "[ . ]"
1 72 ASP 0.190 0.080 2 0 "[ . ]"
1 73 LYS 0.000 0.000 . 0 "[ . ]"
1 74 LEU 1.459 0.281 6 0 "[ . ]"
1 75 PRO 0.000 0.000 . 0 "[ . ]"
1 76 ASN 1.883 0.281 6 0 "[ . ]"
1 77 TYR 0.598 0.154 2 0 "[ . ]"
1 78 GLU 0.594 0.198 5 0 "[ . ]"
1 79 GLU 0.000 0.000 . 0 "[ . ]"
1 80 LYS 0.846 0.107 6 0 "[ . ]"
1 81 ILE 2.021 0.216 5 0 "[ . ]"
1 82 LYS 1.694 0.216 5 0 "[ . ]"
1 83 MET 1.012 0.136 6 0 "[ . ]"
1 84 PHE 0.744 0.136 6 0 "[ . ]"
1 85 TYR 1.292 0.223 6 0 "[ . ]"
1 86 GLU 0.923 0.223 6 0 "[ . ]"
1 87 GLU 0.002 0.002 1 0 "[ . ]"
1 90 HIS 0.000 0.000 . 0 "[ . ]"
1 91 LEU 0.000 0.000 . 0 "[ . ]"
1 95 ILE 0.193 0.078 5 0 "[ . ]"
1 96 ARG 0.000 0.000 . 0 "[ . ]"
1 97 TYR 2.014 0.199 6 0 "[ . ]"
1 98 ILE 0.062 0.022 2 0 "[ . ]"
1 99 LEU 1.946 0.128 4 0 "[ . ]"
1 100 ASP 1.483 0.251 4 0 "[ . ]"
1 101 GLY 2.129 0.285 2 0 "[ . ]"
1 102 SER 1.084 0.285 2 0 "[ . ]"
1 103 GLY 0.047 0.047 3 0 "[ . ]"
1 104 TYR 0.045 0.045 1 0 "[ . ]"
1 105 PHE 0.116 0.045 1 0 "[ . ]"
1 106 ASP 0.056 0.042 5 0 "[ . ]"
1 107 VAL 0.352 0.077 3 0 "[ . ]"
1 108 ARG 0.000 0.000 . 0 "[ . ]"
1 109 ASP 0.218 0.054 6 0 "[ . ]"
1 110 LYS 0.942 0.178 5 0 "[ . ]"
1 111 GLU 0.942 0.178 5 0 "[ . ]"
1 112 ASP 0.000 0.000 . 0 "[ . ]"
1 113 GLN 0.125 0.048 2 0 "[ . ]"
1 114 TRP 0.149 0.034 5 0 "[ . ]"
1 115 ILE 0.729 0.172 3 0 "[ . ]"
1 116 ARG 0.203 0.077 3 0 "[ . ]"
1 117 ILE 0.713 0.172 3 0 "[ . ]"
1 118 PHE 0.047 0.047 3 0 "[ . ]"
1 119 MET 0.000 0.000 . 0 "[ . ]"
1 121 LYS 0.114 0.093 4 0 "[ . ]"
1 122 GLY 0.000 0.000 . 0 "[ . ]"
1 123 ASP 0.670 0.135 1 0 "[ . ]"
1 124 MET 2.185 0.244 1 0 "[ . ]"
1 125 VAL 0.404 0.095 2 0 "[ . ]"
1 126 THR 1.100 0.117 5 0 "[ . ]"
1 127 LEU 0.000 0.000 . 0 "[ . ]"
1 131 ILE 0.000 0.000 . 0 "[ . ]"
1 136 THR 0.000 0.000 . 0 "[ . ]"
1 137 VAL 0.061 0.037 3 0 "[ . ]"
1 139 GLU 1.523 0.227 3 0 "[ . ]"
1 140 LYS 1.578 0.227 3 0 "[ . ]"
1 141 ASN 0.110 0.055 3 0 "[ . ]"
1 142 TYR 0.383 0.106 3 0 "[ . ]"
1 143 THR 0.256 0.090 4 0 "[ . ]"
1 144 LYS 0.002 0.002 3 0 "[ . ]"
1 145 ALA 1.299 0.158 2 0 "[ . ]"
1 146 MET 0.853 0.130 5 0 "[ . ]"
1 147 ARG 0.052 0.049 5 0 "[ . ]"
1 148 LEU 0.214 0.078 5 0 "[ . ]"
1 149 PHE 0.238 0.063 6 0 "[ . ]"
1 150 VAL 0.365 0.067 5 0 "[ . ]"
1 151 GLY 0.131 0.047 4 0 "[ . ]"
1 153 PRO 0.172 0.081 3 0 "[ . ]"
1 154 VAL 0.000 0.000 . 0 "[ . ]"
1 155 TRP 1.210 0.148 1 0 "[ . ]"
1 156 THR 0.172 0.081 3 0 "[ . ]"
1 157 ALA 1.056 0.180 5 0 "[ . ]"
1 158 TYR 2.311 0.180 5 0 "[ . ]"
1 162 ALA 0.158 0.039 5 0 "[ . ]"
1 163 ASP 0.158 0.039 5 0 "[ . ]"
1 166 GLU 1.760 0.234 4 0 "[ . ]"
1 167 ALA 4.110 0.246 4 0 "[ . ]"
1 168 ARG 2.351 0.246 4 0 "[ . ]"
1 169 GLY 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 2 VAL HA 1 3 GLN H 3.000 . 3.300 2.208 2.154 2.224 . 0 0 "[ . ]" 1
2 1 2 VAL MG1 1 3 GLN H 5.000 2.800 5.300 3.644 3.289 3.741 . 0 0 "[ . ]" 1
3 1 2 VAL MG1 1 4 ALA H 5.000 2.800 5.300 3.992 3.464 4.636 . 0 0 "[ . ]" 1
4 1 2 VAL MG1 1 27 GLY QA 4.000 . 4.300 4.278 3.893 4.377 0.077 6 0 "[ . ]" 1
5 1 2 VAL HB 1 28 LEU MD2 5.000 2.800 5.300 3.916 2.786 4.963 0.014 3 0 "[ . ]" 1
6 1 2 VAL MG1 1 28 LEU H 4.000 . 4.300 3.072 2.973 3.259 . 0 0 "[ . ]" 1
7 1 2 VAL MG1 1 28 LEU MD1 4.000 . 4.300 2.105 1.831 2.807 . 0 0 "[ . ]" 1
8 1 2 VAL MG2 1 28 LEU MD1 4.000 . 4.300 2.769 1.791 3.825 0.009 6 0 "[ . ]" 1
9 1 2 VAL MG1 1 31 LEU MD1 4.000 . 4.300 3.984 3.825 4.109 . 0 0 "[ . ]" 1
10 1 2 VAL MG2 1 31 LEU MD1 4.000 . 4.300 3.942 3.519 4.346 0.046 2 0 "[ . ]" 1
11 1 2 VAL HA 1 38 TYR QE 5.000 2.800 5.300 5.057 4.403 5.319 0.019 3 0 "[ . ]" 1
12 1 2 VAL HB 1 38 TYR QD 5.000 2.800 5.300 4.629 4.199 5.273 . 0 0 "[ . ]" 1
13 1 2 VAL MG1 1 38 TYR QD 5.000 2.800 5.300 4.923 3.985 5.312 0.012 1 0 "[ . ]" 1
14 1 2 VAL MG1 1 38 TYR QE 5.000 2.800 5.300 4.553 3.805 5.319 0.019 4 0 "[ . ]" 1
15 1 2 VAL MG2 1 38 TYR QB 5.000 2.800 5.300 4.154 3.510 5.053 . 0 0 "[ . ]" 1
16 1 2 VAL MG2 1 38 TYR QD 5.000 2.800 5.300 3.543 3.073 4.110 . 0 0 "[ . ]" 1
17 1 2 VAL MG2 1 38 TYR QE 4.000 . 4.300 3.279 2.336 4.327 0.027 5 0 "[ . ]" 1
18 1 2 VAL MG1 1 117 ILE MG 5.000 2.800 5.300 4.473 3.830 4.827 . 0 0 "[ . ]" 1
19 1 3 GLN HA 1 4 ALA H 4.000 . 4.300 2.160 2.147 2.191 . 0 0 "[ . ]" 1
20 1 4 ALA H 1 5 TRP HE3 . . 3.300 3.505 3.436 3.560 0.260 3 0 "[ . ]" 1
21 1 4 ALA HA 1 5 TRP H 4.000 . 4.300 2.353 2.201 2.493 . 0 0 "[ . ]" 1
22 1 4 ALA MB 1 5 TRP H 3.000 . 3.300 2.658 2.356 2.991 . 0 0 "[ . ]" 1
23 1 4 ALA H 1 5 TRP HZ3 5.000 2.800 5.300 4.545 4.349 4.878 . 0 0 "[ . ]" 1
24 1 4 ALA H 1 26 VAL H 5.000 2.800 5.300 3.919 3.425 4.500 . 0 0 "[ . ]" 1
25 1 4 ALA H 1 26 VAL MG1 5.000 2.800 5.300 3.015 2.729 3.817 0.071 6 0 "[ . ]" 1
26 1 4 ALA MB 1 26 VAL MG1 3.000 . 3.300 1.594 1.526 1.677 . 0 0 "[ . ]" 1
27 1 4 ALA MB 1 31 LEU MD1 3.000 . 3.300 2.919 2.289 3.379 0.079 4 0 "[ . ]" 1
28 1 4 ALA MB 1 115 ILE MG 4.000 . 4.300 2.855 2.428 3.200 . 0 0 "[ . ]" 1
29 1 4 ALA MB 1 115 ILE MD 5.000 2.800 5.300 4.564 4.050 4.990 . 0 0 "[ . ]" 1
30 1 4 ALA HA 1 117 ILE HA 4.000 . 4.300 2.612 2.124 2.983 . 0 0 "[ . ]" 1
31 1 4 ALA HA 1 117 ILE MG 5.000 2.800 5.300 3.828 3.490 4.160 . 0 0 "[ . ]" 1
32 1 4 ALA HA 1 118 PHE H 4.000 . 4.300 3.028 2.507 3.755 . 0 0 "[ . ]" 1
33 1 5 TRP HA 1 6 TYR H 4.000 . 4.300 2.232 2.197 2.293 . 0 0 "[ . ]" 1
34 1 5 TRP HE1 1 7 MET HA 5.000 2.800 5.300 5.388 5.352 5.409 0.109 6 0 "[ . ]" 1
35 1 5 TRP HE1 1 17 PRO HA 5.000 2.800 5.300 5.329 5.112 5.428 0.128 2 0 "[ . ]" 1
36 1 5 TRP HZ2 1 17 PRO QB 4.000 . 4.300 4.243 3.930 4.355 0.055 6 0 "[ . ]" 1
37 1 5 TRP HE1 1 19 ARG HA 4.000 . 4.300 2.216 1.763 3.425 0.037 1 0 "[ . ]" 1
38 1 5 TRP HE1 1 19 ARG QB 5.000 2.800 5.300 3.048 2.717 3.392 0.083 3 0 "[ . ]" 1
39 1 5 TRP HE1 1 19 ARG QG 5.000 2.800 5.300 2.812 2.723 2.984 0.077 3 0 "[ . ]" 1
40 1 5 TRP HA 1 25 PRO HA 3.000 . 3.300 2.974 2.926 3.033 . 0 0 "[ . ]" 1
41 1 5 TRP HA 1 25 PRO QB 5.000 2.800 5.300 4.306 4.079 4.471 . 0 0 "[ . ]" 1
42 1 5 TRP HA 1 26 VAL H 3.000 . 3.300 2.554 2.371 2.741 . 0 0 "[ . ]" 1
43 1 5 TRP HA 1 26 VAL MG2 . 2.800 4.300 4.408 4.248 4.556 0.256 2 0 "[ . ]" 1
44 1 5 TRP H 1 115 ILE MG 3.000 . 3.300 2.978 2.680 3.345 0.045 5 0 "[ . ]" 1
45 1 5 TRP NE1 1 19 ARG CB 4.000 . 4.300 3.991 3.911 4.137 . 0 0 "[ . ]" 1
46 1 5 TRP CZ2 1 19 ARG CB 4.000 . 4.300 3.903 3.479 4.316 0.016 1 0 "[ . ]" 1
47 1 5 TRP CH2 1 19 ARG CD 5.000 2.800 5.300 3.920 3.747 4.067 . 0 0 "[ . ]" 1
48 1 5 TRP CE3 1 19 ARG CD 5.000 2.800 5.300 5.345 5.248 5.464 0.164 2 0 "[ . ]" 1
49 1 5 TRP QB 1 25 PRO HA 5.000 2.800 5.300 4.803 4.655 5.042 . 0 0 "[ . ]" 1
50 1 5 TRP QB 1 26 VAL H 5.000 2.800 5.300 4.612 4.430 4.707 . 0 0 "[ . ]" 1
51 1 5 TRP HA 1 115 ILE MG 5.000 2.800 5.300 4.247 3.982 4.610 . 0 0 "[ . ]" 1
52 1 6 TYR HA 1 7 MET H 3.000 . 3.300 2.502 2.159 3.317 0.017 4 0 "[ . ]" 1
53 1 6 TYR H 1 24 ARG HE 4.000 . 4.300 4.052 2.873 4.323 0.023 1 0 "[ . ]" 1
54 1 6 TYR H 1 24 ARG H 5.000 2.800 5.300 5.312 5.124 5.416 0.116 2 0 "[ . ]" 1
55 1 6 TYR QB 1 24 ARG H 5.000 2.800 5.300 5.080 4.679 5.345 0.045 4 0 "[ . ]" 1
56 1 6 TYR QB 1 24 ARG QB 4.000 . 4.300 4.090 3.661 4.347 0.047 1 0 "[ . ]" 1
57 1 6 TYR H 1 25 PRO HA 5.000 2.800 5.300 3.571 3.313 3.753 . 0 0 "[ . ]" 1
58 1 6 TYR QD 1 26 VAL MG2 4.000 . 4.300 2.360 1.750 3.471 0.050 4 0 "[ . ]" 1
59 1 6 TYR QE 1 26 VAL MG2 5.000 2.800 5.300 3.283 2.798 3.533 0.002 6 0 "[ . ]" 1
60 1 6 TYR QD 1 31 LEU MD2 5.000 2.800 5.300 4.317 3.809 5.258 . 0 0 "[ . ]" 1
61 1 6 TYR QE 1 31 LEU MD2 5.000 2.800 5.300 3.609 2.862 5.374 0.074 4 0 "[ . ]" 1
62 1 6 TYR HA 1 115 ILE HA 3.000 . 3.300 2.928 2.284 3.324 0.024 3 0 "[ . ]" 1
63 1 6 TYR QE 1 115 ILE HG12 4.000 . 4.300 2.841 1.974 3.835 . 0 0 "[ . ]" 1
64 1 6 TYR HA 1 116 ARG H 4.000 . 4.300 3.799 3.481 4.085 . 0 0 "[ . ]" 1
65 1 7 MET HA 1 8 ASP H 3.000 . 3.300 3.278 3.151 3.452 0.152 3 0 "[ . ]" 1
66 1 7 MET ME 1 10 ALA MB 5.000 2.800 5.300 3.745 2.769 4.606 0.031 4 0 "[ . ]" 1
67 1 7 MET HA 1 18 HIS QB 5.000 2.800 5.300 3.476 2.737 5.304 0.063 1 0 "[ . ]" 1
68 1 7 MET QB 1 18 HIS QB 4.000 . 4.300 3.450 2.275 4.075 . 0 0 "[ . ]" 1
69 1 7 MET ME 1 18 HIS QB 4.000 . 4.300 3.451 1.926 4.426 0.126 1 0 "[ . ]" 1
70 1 8 ASP HA 1 9 ASP H 3.000 . 3.300 3.488 3.482 3.497 0.197 3 0 "[ . ]" 1
71 1 9 ASP H 1 10 ALA H 3.000 . 3.300 2.430 2.194 2.894 . 0 0 "[ . ]" 1
72 1 9 ASP HA 1 10 ALA H 4.000 . 4.300 3.376 3.191 3.571 . 0 0 "[ . ]" 1
73 1 10 ALA HA 1 11 PRO QD 3.000 . 3.300 1.963 1.855 2.088 . 0 0 "[ . ]" 1
74 1 10 ALA MB 1 11 PRO QD 4.000 . 4.300 2.395 1.941 3.201 . 0 0 "[ . ]" 1
75 1 10 ALA MB 1 12 GLY H 5.000 2.800 5.300 5.349 5.312 5.376 0.076 3 0 "[ . ]" 1
76 1 10 ALA MB 1 18 HIS HD1 5.000 2.800 5.300 3.544 2.789 4.343 0.011 6 0 "[ . ]" 1
77 1 10 ALA MB 1 18 HIS HE1 5.000 2.800 5.300 4.857 3.940 5.301 0.001 1 0 "[ . ]" 1
78 1 11 PRO HA 1 12 GLY H 3.000 . 3.300 2.213 2.184 2.228 . 0 0 "[ . ]" 1
79 1 11 PRO HB3 1 12 GLY H 5.000 2.800 5.300 3.726 3.378 3.850 . 0 0 "[ . ]" 1
80 1 11 PRO HB2 1 12 GLY H 5.000 2.800 5.300 3.383 3.231 3.674 . 0 0 "[ . ]" 1
81 1 12 GLY QA 1 13 ASP H 4.000 . 4.300 2.643 2.290 2.853 . 0 0 "[ . ]" 1
82 1 12 GLY QA 1 18 HIS HE1 5.000 2.800 5.300 3.988 2.774 5.327 0.027 3 0 "[ . ]" 1
83 1 12 GLY QA 1 18 HIS HE2 5.000 2.800 5.300 4.037 2.791 5.348 0.048 2 0 "[ . ]" 1
84 1 14 PRO HA 1 15 ARG H 5.000 2.800 5.300 3.503 3.408 3.540 . 0 0 "[ . ]" 1
85 1 14 PRO QD 1 15 ARG H 4.000 . 4.300 2.753 2.620 2.871 . 0 0 "[ . ]" 1
86 1 15 ARG H 1 16 GLN H 3.000 . 3.300 2.750 2.721 2.777 . 0 0 "[ . ]" 1
87 1 17 PRO HA 1 18 HIS H 5.000 2.800 5.300 3.338 3.279 3.376 . 0 0 "[ . ]" 1
88 1 17 PRO HA 1 19 ARG H 5.000 2.800 5.300 4.754 4.688 4.898 . 0 0 "[ . ]" 1
89 1 17 PRO QB 1 19 ARG HE 3.000 . 3.300 2.337 1.761 3.272 . 0 0 "[ . ]" 1
90 1 17 PRO QD 1 19 ARG H 3.000 . 3.300 3.372 3.324 3.422 0.122 5 0 "[ . ]" 1
91 1 18 HIS H 1 19 ARG H 3.000 . 3.300 2.647 2.487 2.874 . 0 0 "[ . ]" 1
92 1 18 HIS HA 1 19 ARG H 4.000 . 4.300 2.841 2.734 2.952 . 0 0 "[ . ]" 1
93 1 19 ARG H 1 20 PRO QD 5.000 2.800 5.300 3.844 3.573 4.003 . 0 0 "[ . ]" 1
94 1 20 PRO QB 1 21 ASP H 4.000 . 4.300 3.012 2.746 3.483 . 0 0 "[ . ]" 1
95 1 20 PRO QD 1 21 ASP H 5.000 2.800 5.300 4.980 4.894 5.022 . 0 0 "[ . ]" 1
96 1 20 PRO QD 1 23 GLY QA 4.000 . 4.300 2.519 2.089 2.914 . 0 0 "[ . ]" 1
97 1 21 ASP HA 1 22 PRO HA 3.000 . 3.300 1.866 1.791 1.952 . 0 0 "[ . ]" 1
98 1 21 ASP HA 1 23 GLY H 4.000 . 4.300 2.868 2.224 3.130 . 0 0 "[ . ]" 1
99 1 22 PRO HA 1 23 GLY H 3.000 . 3.300 2.277 2.195 2.330 . 0 0 "[ . ]" 1
100 1 23 GLY H 1 24 ARG H 5.000 2.800 5.300 4.600 4.519 4.661 . 0 0 "[ . ]" 1
101 1 23 GLY QA 1 24 ARG H 3.000 . 3.300 2.262 2.178 2.308 . 0 0 "[ . ]" 1
102 1 24 ARG HA 1 25 PRO QD 3.000 . 3.300 1.882 1.863 1.894 . 0 0 "[ . ]" 1
103 1 25 PRO HA 1 26 VAL H 3.000 . 3.300 2.315 2.267 2.409 . 0 0 "[ . ]" 1
104 1 25 PRO HA 1 26 VAL HB 4.000 . 4.300 4.377 4.359 4.395 0.095 2 0 "[ . ]" 1
105 1 25 PRO HA 1 26 VAL MG1 4.000 . 4.300 4.323 3.666 4.500 0.200 1 0 "[ . ]" 1
106 1 26 VAL HA 1 26 VAL MG2 3.000 . 3.300 2.175 2.079 2.356 . 0 0 "[ . ]" 1
107 1 26 VAL HA 1 27 GLY H 3.000 . 3.300 2.246 2.219 2.313 . 0 0 "[ . ]" 1
108 1 26 VAL HB 1 27 GLY H 4.000 . 4.300 4.136 3.791 4.234 . 0 0 "[ . ]" 1
109 1 26 VAL MG1 1 27 GLY H 3.000 . 3.300 3.257 3.104 3.448 0.148 2 0 "[ . ]" 1
110 1 26 VAL MG2 1 28 LEU H 4.000 . 4.300 4.455 4.394 4.566 0.266 2 0 "[ . ]" 1
111 1 26 VAL MG1 1 30 GLN H 5.000 2.800 5.300 5.412 5.378 5.457 0.157 2 0 "[ . ]" 1
112 1 26 VAL MG2 1 31 LEU H 4.000 . 4.300 3.956 3.382 4.192 . 0 0 "[ . ]" 1
113 1 26 VAL MG1 1 31 LEU MD1 3.000 . 3.300 2.901 2.434 3.361 0.061 2 0 "[ . ]" 1
114 1 27 GLY HA3 1 28 LEU H 3.000 . 3.300 3.269 2.645 3.410 0.110 3 0 "[ . ]" 1
115 1 27 GLY HA2 1 28 LEU H 3.000 . 3.300 2.224 2.161 2.455 . 0 0 "[ . ]" 1
116 1 27 GLY QA 1 30 GLN H 5.000 2.800 5.300 3.029 2.825 3.685 . 0 0 "[ . ]" 1
117 1 27 GLY H 1 31 LEU MD1 5.000 2.800 5.300 4.634 3.122 5.352 0.052 2 0 "[ . ]" 1
118 1 27 GLY H 1 31 LEU MD2 5.000 2.800 5.300 4.657 3.896 5.288 . 0 0 "[ . ]" 1
119 1 28 LEU H 1 29 GLU H 5.000 2.800 5.300 2.867 2.783 2.934 0.017 2 0 "[ . ]" 1
120 1 28 LEU MD2 1 29 GLU H 5.000 2.800 5.300 3.597 2.802 4.262 . 0 0 "[ . ]" 1
121 1 28 LEU QB 1 31 LEU H 5.000 2.800 5.300 5.009 4.879 5.199 . 0 0 "[ . ]" 1
122 1 28 LEU HA 1 31 LEU H 5.000 2.800 5.300 3.444 3.229 3.654 . 0 0 "[ . ]" 1
123 1 28 LEU MD1 1 38 TYR QD 4.000 . 4.300 3.274 2.686 3.954 . 0 0 "[ . ]" 1
124 1 28 LEU MD2 1 38 TYR QD 4.000 . 4.300 3.800 2.431 4.312 0.012 4 0 "[ . ]" 1
125 1 29 GLU H 1 30 GLN H 3.000 . 3.300 2.623 2.514 2.813 . 0 0 "[ . ]" 1
126 1 29 GLU HA 1 30 GLN H 4.000 . 4.300 3.526 3.511 3.565 . 0 0 "[ . ]" 1
127 1 29 GLU HA 1 32 ARG H 4.000 . 4.300 3.286 3.217 3.348 . 0 0 "[ . ]" 1
128 1 30 GLN H 1 31 LEU H 3.000 . 3.300 2.668 2.580 2.708 . 0 0 "[ . ]" 1
129 1 30 GLN HA 1 31 LEU H 4.000 . 4.300 3.544 3.524 3.558 . 0 0 "[ . ]" 1
130 1 30 GLN HA 1 33 ARG H 4.000 . 4.300 3.727 3.533 3.852 . 0 0 "[ . ]" 1
131 1 31 LEU H 1 32 ARG H 3.000 . 3.300 2.573 2.488 2.679 . 0 0 "[ . ]" 1
132 1 31 LEU HA 1 32 ARG H 4.000 . 4.300 3.532 3.509 3.557 . 0 0 "[ . ]" 1
133 1 31 LEU HA 1 32 ARG QB 5.000 2.800 5.300 5.213 5.155 5.321 0.021 2 0 "[ . ]" 1
134 1 31 LEU HA 1 33 ARG H 5.000 2.800 5.300 4.184 4.107 4.327 . 0 0 "[ . ]" 1
135 1 31 LEU HA 1 34 LEU H 5.000 2.800 5.300 2.973 2.897 3.027 . 0 0 "[ . ]" 1
136 1 31 LEU MD1 1 34 LEU MD2 3.000 . 3.300 3.399 3.373 3.418 0.118 1 0 "[ . ]" 1
137 1 31 LEU HA 1 36 VAL MG2 5.000 2.800 5.300 3.932 3.736 4.176 . 0 0 "[ . ]" 1
138 1 31 LEU QB 1 36 VAL MG2 5.000 2.800 5.300 2.904 2.747 3.345 0.053 6 0 "[ . ]" 1
139 1 31 LEU MD1 1 36 VAL HB 4.000 . 4.300 3.902 3.571 4.336 0.036 4 0 "[ . ]" 1
140 1 31 LEU MD2 1 36 VAL HB 4.000 . 4.300 3.936 2.959 4.345 0.045 3 0 "[ . ]" 1
141 1 31 LEU MD1 1 36 VAL MG1 4.000 . 4.300 3.362 2.840 4.311 0.011 4 0 "[ . ]" 1
142 1 31 LEU MD2 1 36 VAL MG2 4.000 . 4.300 3.454 3.218 3.582 . 0 0 "[ . ]" 1
143 1 31 LEU MD2 1 115 ILE MD 3.000 . 3.300 2.001 1.551 3.320 0.020 4 0 "[ . ]" 1
144 1 31 LEU MD2 1 117 ILE MD 5.000 2.800 5.300 3.528 2.747 4.986 0.053 2 0 "[ . ]" 1
145 1 32 ARG H 1 33 ARG H 3.000 . 3.300 2.742 2.717 2.769 . 0 0 "[ . ]" 1
146 1 32 ARG HA 1 33 ARG H 4.000 . 4.300 3.543 3.535 3.552 . 0 0 "[ . ]" 1
147 1 32 ARG H 1 34 LEU H 5.000 2.800 5.300 3.856 3.775 3.949 . 0 0 "[ . ]" 1
148 1 32 ARG HA 1 35 GLY H 4.000 . 4.300 3.563 3.292 3.809 . 0 0 "[ . ]" 1
149 1 32 ARG HD2 1 37 LEU MD2 3.000 . 3.300 2.887 2.299 3.371 0.071 1 0 "[ . ]" 1
150 1 33 ARG H 1 34 LEU H 3.000 . 3.300 2.467 2.376 2.546 . 0 0 "[ . ]" 1
151 1 33 ARG H 1 35 GLY H 5.000 2.800 5.300 3.937 3.851 3.999 . 0 0 "[ . ]" 1
152 1 33 ARG HA 1 36 VAL H 5.000 2.800 5.300 5.413 5.371 5.467 0.167 6 0 "[ . ]" 1
153 1 34 LEU HA 1 34 LEU MD2 4.000 . 4.300 3.834 3.753 3.911 . 0 0 "[ . ]" 1
154 1 34 LEU H 1 35 GLY H 3.000 . 3.300 2.563 2.539 2.617 . 0 0 "[ . ]" 1
155 1 34 LEU HA 1 35 GLY H 5.000 2.800 5.300 3.409 3.330 3.463 . 0 0 "[ . ]" 1
156 1 34 LEU QB 1 35 GLY H 4.000 . 4.300 3.067 2.873 3.289 . 0 0 "[ . ]" 1
157 1 34 LEU MD1 1 109 ASP HA 4.000 . 4.300 3.084 1.820 3.968 . 0 0 "[ . ]" 1
158 1 34 LEU MD2 1 109 ASP HA 4.000 . 4.300 3.736 2.495 4.354 0.054 6 0 "[ . ]" 1
159 1 35 GLY H 1 36 VAL H 3.000 . 3.300 2.091 1.949 2.256 . 0 0 "[ . ]" 1
160 1 35 GLY QA 1 36 VAL H 4.000 . 4.300 2.881 2.845 2.928 . 0 0 "[ . ]" 1
161 1 36 VAL HA 1 37 LEU H 4.000 . 4.300 2.131 2.114 2.149 . 0 0 "[ . ]" 1
162 1 36 VAL MG1 1 125 VAL MG2 3.000 . 3.300 2.197 1.830 2.908 . 0 0 "[ . ]" 1
163 1 36 VAL MG2 1 125 VAL MG2 3.000 . 3.300 3.363 3.334 3.395 0.095 2 0 "[ . ]" 1
164 1 36 VAL HA 1 126 THR HB 4.000 . 4.300 4.257 4.096 4.366 0.066 2 0 "[ . ]" 1
165 1 37 LEU H 1 37 LEU MD2 5.000 2.800 5.300 3.687 3.352 4.025 . 0 0 "[ . ]" 1
166 1 37 LEU HA 1 38 TYR H 3.000 . 3.300 2.229 2.170 2.256 . 0 0 "[ . ]" 1
167 1 37 LEU HG 1 38 TYR H 5.000 2.800 5.300 4.914 4.406 5.098 . 0 0 "[ . ]" 1
168 1 37 LEU MD2 1 38 TYR H 4.000 . 4.300 3.326 1.787 3.936 0.013 2 0 "[ . ]" 1
169 1 37 LEU QB 1 39 TRP CZ2 4.000 . 4.300 3.544 2.892 4.237 . 0 0 "[ . ]" 1
170 1 37 LEU QB 1 39 TRP CZ3 4.000 . 4.300 3.328 2.520 4.126 . 0 0 "[ . ]" 1
171 1 37 LEU MD1 1 39 TRP HH2 4.000 . 4.300 2.979 1.785 3.702 0.015 3 0 "[ . ]" 1
172 1 37 LEU MD1 1 39 TRP HZ2 4.000 . 4.300 3.285 2.987 3.827 . 0 0 "[ . ]" 1
173 1 37 LEU MD1 1 59 ARG QD 5.000 2.800 5.300 4.408 3.019 5.256 . 0 0 "[ . ]" 1
174 1 37 LEU H 1 126 THR H 3.000 . 3.300 2.705 2.452 2.859 . 0 0 "[ . ]" 1
175 1 37 LEU H 1 126 THR HB 5.000 2.800 5.300 2.709 2.683 2.759 0.117 5 0 "[ . ]" 1
176 1 37 LEU H 1 126 THR MG 4.000 . 4.300 3.903 3.745 4.073 . 0 0 "[ . ]" 1
177 1 37 LEU MD1 1 126 THR HA 5.000 2.800 5.300 5.337 5.177 5.400 0.100 1 0 "[ . ]" 1
178 1 37 LEU MD1 1 126 THR HB 5.000 2.800 5.300 2.950 2.779 3.480 0.021 3 0 "[ . ]" 1
179 1 37 LEU MD1 1 126 THR MG 4.000 . 4.300 3.141 2.744 4.333 0.033 2 0 "[ . ]" 1
180 1 38 TYR HA 1 39 TRP H 3.000 . 3.300 2.186 2.135 2.280 . 0 0 "[ . ]" 1
181 1 39 TRP HA 1 40 LYS H 3.000 . 3.300 2.202 2.171 2.230 . 0 0 "[ . ]" 1
182 1 39 TRP QB 1 40 LYS H 4.000 . 4.300 3.092 2.931 3.169 . 0 0 "[ . ]" 1
183 1 39 TRP QB 1 41 LEU MD1 4.000 . 4.300 1.990 1.722 2.439 0.078 6 0 "[ . ]" 1
184 1 39 TRP QB 1 41 LEU MD2 4.000 . 4.300 3.917 3.440 4.163 . 0 0 "[ . ]" 1
185 1 39 TRP HD1 1 41 LEU MD2 5.000 2.800 5.300 5.059 4.733 5.323 0.023 4 0 "[ . ]" 1
186 1 39 TRP HD1 1 55 ILE MD 5.000 2.800 5.300 3.091 2.725 3.560 0.075 6 0 "[ . ]" 1
187 1 39 TRP HE1 1 55 ILE QG 4.000 . 4.300 4.057 3.259 4.431 0.131 1 0 "[ . ]" 1
188 1 39 TRP HE1 1 55 ILE MG 3.000 . 3.300 2.804 1.622 3.405 0.105 5 0 "[ . ]" 1
189 1 39 TRP HE1 1 55 ILE MD 4.000 . 4.300 3.531 3.280 3.646 . 0 0 "[ . ]" 1
190 1 39 TRP HE3 1 55 ILE MD . 2.800 4.300 4.187 3.767 4.358 0.058 4 0 "[ . ]" 1
191 1 39 TRP HE3 1 55 ILE MG 4.000 . 4.300 4.347 4.233 4.467 0.167 1 0 "[ . ]" 1
192 1 39 TRP HH2 1 55 ILE MG 4.000 . 4.300 3.824 3.273 4.332 0.032 6 0 "[ . ]" 1
193 1 39 TRP HZ2 1 55 ILE MG 4.000 . 4.300 2.948 2.797 3.328 . 0 0 "[ . ]" 1
194 1 39 TRP H 1 124 MET H 4.000 . 4.300 3.001 2.556 3.357 . 0 0 "[ . ]" 1
195 1 39 TRP QB 1 124 MET H 3.000 . 3.300 3.332 3.261 3.430 0.130 5 0 "[ . ]" 1
196 1 39 TRP HE3 1 124 MET H 5.000 2.800 5.300 5.268 4.709 5.544 0.244 1 0 "[ . ]" 1
197 1 39 TRP H 1 125 VAL HB 5.000 2.800 5.300 4.827 4.332 5.313 0.013 6 0 "[ . ]" 1
198 1 40 LYS HA 1 41 LEU H 3.000 . 3.300 2.173 2.162 2.187 . 0 0 "[ . ]" 1
199 1 40 LYS QB 1 41 LEU H 4.000 . 4.300 3.710 3.575 3.947 . 0 0 "[ . ]" 1
200 1 41 LEU HA 1 41 LEU MD2 3.000 . 3.300 2.844 2.095 3.398 0.098 1 0 "[ . ]" 1
201 1 41 LEU MD1 1 52 LEU H 5.000 2.800 5.300 5.068 4.572 5.337 0.037 3 0 "[ . ]" 1
202 1 41 LEU H 1 55 ILE MD 6.000 3.800 6.300 6.182 5.873 6.309 0.009 4 0 "[ . ]" 1
203 1 41 LEU MD1 1 55 ILE MD 3.000 . 3.300 2.315 1.986 2.421 . 0 0 "[ . ]" 1
204 1 41 LEU MD2 1 55 ILE MD 3.000 . 3.300 2.816 2.570 3.013 . 0 0 "[ . ]" 1
205 1 41 LEU MD1 1 97 TYR QD 5.000 2.800 5.300 3.896 3.266 4.557 . 0 0 "[ . ]" 1
206 1 41 LEU MD2 1 97 TYR QD 5.000 2.800 5.300 5.190 5.065 5.341 0.041 2 0 "[ . ]" 1
207 1 41 LEU MD1 1 97 TYR QE 5.000 2.800 5.300 3.334 2.842 3.731 . 0 0 "[ . ]" 1
208 1 41 LEU MD2 1 97 TYR QE 5.000 2.800 5.300 4.067 3.769 4.686 . 0 0 "[ . ]" 1
209 1 41 LEU MD1 1 99 LEU QD 5.000 2.800 5.300 5.128 4.525 5.341 0.041 6 0 "[ . ]" 1
210 1 41 LEU MD2 1 99 LEU QD 5.000 2.800 5.300 5.374 5.327 5.428 0.128 4 0 "[ . ]" 1
211 1 41 LEU H 1 124 MET H 5.000 2.800 5.300 3.890 3.720 4.268 . 0 0 "[ . ]" 1
212 1 42 ASP H 1 43 ALA H 5.000 2.800 5.300 4.434 4.398 4.469 . 0 0 "[ . ]" 1
213 1 42 ASP HA 1 43 ALA H 3.000 . 3.300 2.193 2.175 2.216 . 0 0 "[ . ]" 1
214 1 42 ASP QB 1 43 ALA H 3.000 . 3.300 3.285 3.130 3.591 0.291 2 0 "[ . ]" 1
215 1 42 ASP H 1 44 ASP H 5.000 2.800 5.300 5.354 5.321 5.381 0.081 4 0 "[ . ]" 1
216 1 43 ALA H 1 44 ASP H 4.000 . 4.300 2.842 2.749 2.925 . 0 0 "[ . ]" 1
217 1 43 ALA HA 1 44 ASP H 3.000 . 3.300 3.516 3.511 3.522 0.222 6 0 "[ . ]" 1
218 1 43 ALA MB 1 44 ASP H 3.000 . 3.300 2.483 2.417 2.576 . 0 0 "[ . ]" 1
219 1 43 ALA HA 1 46 TYR H 5.000 2.800 5.300 3.149 3.034 3.272 . 0 0 "[ . ]" 1
220 1 43 ALA MB 1 46 TYR H 5.000 2.800 5.300 4.238 4.140 4.298 . 0 0 "[ . ]" 1
221 1 43 ALA MB 1 46 TYR QB 4.000 . 4.300 3.515 3.300 3.670 . 0 0 "[ . ]" 1
222 1 43 ALA H 1 97 TYR HE1 5.000 2.800 5.300 5.396 5.347 5.479 0.179 6 0 "[ . ]" 1
223 1 43 ALA HA 1 99 LEU HA 4.000 . 4.300 3.611 3.071 4.073 . 0 0 "[ . ]" 1
224 1 43 ALA MB 1 99 LEU MD2 3.000 . 3.300 2.361 1.875 2.797 . 0 0 "[ . ]" 1
225 1 43 ALA MB 1 122 GLY H 5.000 2.800 5.300 4.337 4.067 4.852 . 0 0 "[ . ]" 1
226 1 43 ALA H 1 122 GLY HA2 4.000 . 4.300 3.225 3.092 3.411 . 0 0 "[ . ]" 1
227 1 44 ASP H 1 45 LYS H 3.000 . 3.300 2.532 2.512 2.572 . 0 0 "[ . ]" 1
228 1 44 ASP H 1 46 TYR H 5.000 2.800 5.300 3.712 3.625 3.768 . 0 0 "[ . ]" 1
229 1 44 ASP HA 1 46 TYR H 5.000 2.800 5.300 3.919 3.800 4.060 . 0 0 "[ . ]" 1
230 1 44 ASP HA 1 47 GLU H 5.000 2.800 5.300 4.096 4.029 4.134 . 0 0 "[ . ]" 1
231 1 45 LYS H 1 46 TYR H 3.000 . 3.300 2.319 2.254 2.368 . 0 0 "[ . ]" 1
232 1 45 LYS HA 1 48 ASN H 4.000 . 4.300 3.343 3.048 3.539 . 0 0 "[ . ]" 1
233 1 46 TYR H 1 46 TYR QD 3.000 . 3.300 3.341 3.316 3.367 0.067 3 0 "[ . ]" 1
234 1 46 TYR H 1 47 GLU H 4.000 . 4.300 2.732 2.648 2.830 . 0 0 "[ . ]" 1
235 1 46 TYR QB 1 47 GLU H 5.000 2.800 5.300 2.762 2.511 2.981 0.289 6 0 "[ . ]" 1
236 1 46 TYR QD 1 47 GLU H 4.000 . 4.300 3.145 2.394 4.459 0.159 6 0 "[ . ]" 1
237 1 46 TYR QD 1 52 LEU HA 5.000 2.800 5.300 5.333 5.288 5.371 0.071 1 0 "[ . ]" 1
238 1 46 TYR QD 1 52 LEU MD2 5.000 2.800 5.300 3.603 2.704 4.477 0.096 3 0 "[ . ]" 1
239 1 46 TYR QE 1 64 MET ME 4.000 . 4.300 3.192 2.314 3.847 . 0 0 "[ . ]" 1
240 1 46 TYR QD 1 66 ILE MG 5.000 2.800 5.300 5.298 5.143 5.377 0.077 5 0 "[ . ]" 1
241 1 46 TYR QE 1 66 ILE MG 5.000 2.800 5.300 4.727 4.204 5.421 0.121 6 0 "[ . ]" 1
242 1 46 TYR H 1 97 TYR HE2 5.000 2.800 5.300 4.883 4.494 5.367 0.067 6 0 "[ . ]" 1
243 1 46 TYR H 1 99 LEU MD1 5.000 2.800 5.300 4.957 4.013 5.396 0.096 5 0 "[ . ]" 1
244 1 46 TYR QD 1 99 LEU MD1 5.000 2.800 5.300 2.765 2.683 2.851 0.117 6 0 "[ . ]" 1
245 1 46 TYR QE 1 99 LEU MD1 4.000 . 4.300 3.176 2.772 3.820 . 0 0 "[ . ]" 1
246 1 46 TYR QB 1 146 MET ME 4.000 . 4.300 3.621 2.562 4.239 . 0 0 "[ . ]" 1
247 1 47 GLU H 1 48 ASN H 3.000 . 3.300 2.475 2.344 2.594 . 0 0 "[ . ]" 1
248 1 47 GLU HA 1 48 ASN H 4.000 . 4.300 3.535 3.529 3.550 . 0 0 "[ . ]" 1
249 1 47 GLU HA 1 50 PRO QD 4.000 . 4.300 4.470 4.422 4.504 0.204 2 0 "[ . ]" 1
250 1 47 GLU H 1 99 LEU MD1 5.000 2.800 5.300 4.835 4.449 5.198 . 0 0 "[ . ]" 1
251 1 48 ASN H 1 49 ASP H 3.000 . 3.300 2.489 2.385 2.565 . 0 0 "[ . ]" 1
252 1 48 ASN HA 1 49 ASP H 3.000 . 3.300 3.419 3.358 3.447 0.147 6 0 "[ . ]" 1
253 1 49 ASP H 1 50 PRO HD3 5.000 2.800 5.300 3.563 3.336 3.746 . 0 0 "[ . ]" 1
254 1 49 ASP H 1 50 PRO HD2 5.000 2.800 5.300 4.055 3.894 4.248 . 0 0 "[ . ]" 1
255 1 49 ASP HA 1 50 PRO HD3 3.000 . 3.300 2.868 2.646 2.995 . 0 0 "[ . ]" 1
256 1 49 ASP HA 1 50 PRO HD2 3.000 . 3.300 1.891 1.801 2.060 . 0 0 "[ . ]" 1
257 1 49 ASP HA 1 50 PRO QG 4.000 . 4.300 3.760 3.638 3.974 . 0 0 "[ . ]" 1
258 1 49 ASP HA 1 51 GLU H 4.000 2.800 4.300 3.201 3.138 3.259 . 0 0 "[ . ]" 1
259 1 49 ASP H 1 52 LEU H 5.000 2.800 5.300 5.346 5.301 5.406 0.106 4 0 "[ . ]" 1
260 1 49 ASP QB 1 52 LEU H 5.000 2.800 5.300 3.881 3.794 4.121 . 0 0 "[ . ]" 1
261 1 50 PRO HA 1 51 GLU H 5.000 2.800 5.300 3.389 3.376 3.408 . 0 0 "[ . ]" 1
262 1 50 PRO QB 1 51 GLU H 5.000 2.800 5.300 3.396 3.249 3.488 . 0 0 "[ . ]" 1
263 1 50 PRO HA 1 53 GLU H 4.000 . 4.300 3.262 3.226 3.303 . 0 0 "[ . ]" 1
264 1 50 PRO HA 1 54 LYS H 5.000 2.800 5.300 5.213 5.159 5.305 0.005 3 0 "[ . ]" 1
265 1 50 PRO QB 1 54 LYS H 5.000 2.800 5.300 4.579 4.511 4.644 . 0 0 "[ . ]" 1
266 1 51 GLU H 1 52 LEU H 3.000 . 3.300 2.880 2.852 2.914 . 0 0 "[ . ]" 1
267 1 51 GLU HA 1 54 LYS H 4.000 . 4.300 3.120 3.071 3.154 . 0 0 "[ . ]" 1
268 1 51 GLU HA 1 54 LYS QB 5.000 2.800 5.300 2.800 2.715 2.904 0.085 5 0 "[ . ]" 1
269 1 52 LEU H 1 53 GLU H 3.000 . 3.300 2.676 2.614 2.727 . 0 0 "[ . ]" 1
270 1 52 LEU HA 1 53 GLU H 5.000 2.800 5.300 3.518 3.489 3.538 . 0 0 "[ . ]" 1
271 1 52 LEU QB 1 53 GLU H 4.000 . 4.300 2.888 2.524 3.478 . 0 0 "[ . ]" 1
272 1 52 LEU HA 1 55 ILE H 5.000 2.800 5.300 3.417 3.302 3.534 . 0 0 "[ . ]" 1
273 1 52 LEU HA 1 55 ILE MG 5.000 2.800 5.300 4.608 4.484 4.707 . 0 0 "[ . ]" 1
274 1 52 LEU QB 1 55 ILE H 5.000 2.800 5.300 4.985 4.816 5.092 . 0 0 "[ . ]" 1
275 1 52 LEU MD1 1 56 ARG H 5.000 2.800 5.300 4.546 3.509 5.238 . 0 0 "[ . ]" 1
276 1 52 LEU MD2 1 64 MET QB 5.000 2.800 5.300 4.519 3.444 5.368 0.068 5 0 "[ . ]" 1
277 1 52 LEU QD 1 97 TYR QD 5.000 2.800 5.300 3.504 2.728 4.765 0.072 3 0 "[ . ]" 1
278 1 52 LEU MD2 1 146 MET ME 3.000 . 3.300 2.863 2.189 3.307 0.007 5 0 "[ . ]" 1
279 1 53 GLU H 1 54 LYS H 4.000 . 4.300 2.611 2.562 2.668 . 0 0 "[ . ]" 1
280 1 53 GLU HA 1 56 ARG H 5.000 2.800 5.300 3.236 3.183 3.321 . 0 0 "[ . ]" 1
281 1 54 LYS H 1 55 ILE H 4.000 . 4.300 2.716 2.673 2.743 . 0 0 "[ . ]" 1
282 1 54 LYS HA 1 57 ARG H 4.000 . 4.300 3.381 3.227 3.451 . 0 0 "[ . ]" 1
283 1 54 LYS QG 1 57 ARG H 5.000 2.800 5.300 4.821 4.474 5.346 0.046 2 0 "[ . ]" 1
284 1 54 LYS HA 1 57 ARG QB 3.000 . 3.300 2.975 2.411 3.313 0.013 2 0 "[ . ]" 1
285 1 55 ILE H 1 56 ARG H 3.000 . 3.300 2.610 2.552 2.718 . 0 0 "[ . ]" 1
286 1 55 ILE HB 1 56 ARG H 3.000 . 3.300 2.671 2.510 2.769 . 0 0 "[ . ]" 1
287 1 55 ILE MG 1 56 ARG H 4.000 . 4.300 3.635 3.533 3.717 . 0 0 "[ . ]" 1
288 1 55 ILE HA 1 57 ARG H 5.000 2.800 5.300 4.283 4.167 4.445 . 0 0 "[ . ]" 1
289 1 55 ILE HA 1 58 GLU H 5.000 2.800 5.300 3.328 3.127 3.567 . 0 0 "[ . ]" 1
290 1 55 ILE MG 1 61 TYR QE 4.000 . 4.300 3.801 3.130 4.317 0.017 2 0 "[ . ]" 1
291 1 56 ARG H 1 57 ARG H 3.000 . 3.300 2.696 2.590 2.744 . 0 0 "[ . ]" 1
292 1 56 ARG HA 1 59 ARG H 5.000 2.800 5.300 3.439 3.291 3.594 . 0 0 "[ . ]" 1
293 1 56 ARG HA 1 61 TYR H 3.000 . 3.300 3.403 3.317 3.495 0.195 5 0 "[ . ]" 1
294 1 56 ARG HE 1 62 SER HA 4.000 . 4.300 3.750 2.515 4.339 0.039 1 0 "[ . ]" 1
295 1 56 ARG QH2 1 63 TRP HA 3.000 . 3.300 2.395 1.643 3.317 0.017 4 0 "[ . ]" 1
296 1 59 ARG H 1 60 ASN H 3.000 . 3.300 2.358 2.134 2.450 . 0 0 "[ . ]" 1
297 1 59 ARG H 1 60 ASN HA 5.000 2.800 5.300 4.591 4.383 4.701 . 0 0 "[ . ]" 1
298 1 59 ARG QB 1 60 ASN H 4.000 . 4.300 3.278 3.022 3.521 . 0 0 "[ . ]" 1
299 1 59 ARG H 1 61 TYR H 4.000 2.800 4.300 4.023 3.732 4.289 . 0 0 "[ . ]" 1
300 1 59 ARG QB 1 61 TYR H 4.000 . 4.300 3.402 3.086 3.604 . 0 0 "[ . ]" 1
301 1 59 ARG H 1 61 TYR HD1 5.000 2.800 5.300 4.323 3.730 4.698 . 0 0 "[ . ]" 1
302 1 59 ARG QB 1 61 TYR QD 4.000 . 4.300 2.435 1.797 3.132 0.003 3 0 "[ . ]" 1
303 1 60 ASN H 1 61 TYR H 3.000 . 3.300 2.812 2.755 2.894 . 0 0 "[ . ]" 1
304 1 60 ASN HA 1 61 TYR H 4.000 . 4.300 2.752 2.717 2.819 . 0 0 "[ . ]" 1
305 1 60 ASN QB 1 150 VAL MG1 4.000 . 4.300 4.283 3.966 4.367 0.067 5 0 "[ . ]" 1
306 1 60 ASN QB 1 150 VAL MG2 5.000 2.800 5.300 4.324 3.667 5.346 0.046 1 0 "[ . ]" 1
307 1 61 TYR H 1 62 SER H 5.000 2.800 5.300 4.388 4.285 4.525 . 0 0 "[ . ]" 1
308 1 61 TYR HA 1 62 SER H 3.000 . 3.300 2.151 2.142 2.157 . 0 0 "[ . ]" 1
309 1 61 TYR HD2 1 62 SER H 4.000 . 4.300 3.769 3.534 3.955 . 0 0 "[ . ]" 1
310 1 61 TYR HD1 1 95 ILE MG 5.000 2.800 5.300 4.333 3.362 4.907 . 0 0 "[ . ]" 1
311 1 61 TYR HE1 1 95 ILE MG 5.000 2.800 5.300 3.500 2.790 5.307 0.010 4 0 "[ . ]" 1
312 1 62 SER H 1 63 TRP H 4.000 . 4.300 2.360 2.159 2.691 . 0 0 "[ . ]" 1
313 1 62 SER H 1 150 VAL MG1 5.000 2.800 5.300 3.381 2.798 4.117 0.002 1 0 "[ . ]" 1
314 1 62 SER H 1 150 VAL MG2 5.000 2.800 5.300 3.304 2.754 5.103 0.046 6 0 "[ . ]" 1
315 1 62 SER H 1 151 GLY H 4.000 . 4.300 4.237 3.789 4.347 0.047 4 0 "[ . ]" 1
316 1 63 TRP HA 1 64 MET H 3.000 . 3.300 2.169 2.135 2.265 . 0 0 "[ . ]" 1
317 1 63 TRP QB 1 64 MET H 5.000 2.800 5.300 3.648 2.982 3.908 . 0 0 "[ . ]" 1
318 1 63 TRP HE3 1 65 ASP H 5.000 2.800 5.300 4.515 3.826 5.400 0.100 5 0 "[ . ]" 1
319 1 63 TRP HH2 1 65 ASP H 5.000 2.800 5.300 4.321 3.781 5.199 . 0 0 "[ . ]" 1
320 1 63 TRP HZ2 1 65 ASP H 5.000 2.800 5.300 5.140 4.436 5.328 0.028 5 0 "[ . ]" 1
321 1 63 TRP H 1 148 LEU HA 5.000 2.800 5.300 5.246 4.964 5.322 0.022 1 0 "[ . ]" 1
322 1 63 TRP H 1 149 PHE H 4.000 . 4.300 3.836 3.452 4.198 . 0 0 "[ . ]" 1
323 1 63 TRP QB 1 149 PHE H 4.000 . 4.300 3.325 2.866 4.348 0.048 6 0 "[ . ]" 1
324 1 63 TRP QB 1 149 PHE QB 4.000 . 4.300 3.318 2.204 4.329 0.029 3 0 "[ . ]" 1
325 1 63 TRP HE3 1 149 PHE QB 5.000 2.800 5.300 3.850 2.768 5.363 0.063 6 0 "[ . ]" 1
326 1 63 TRP H 1 151 GLY H 5.000 2.800 5.300 4.297 3.639 4.834 . 0 0 "[ . ]" 1
327 1 64 MET HA 1 65 ASP H 3.000 . 3.300 2.206 2.156 2.253 . 0 0 "[ . ]" 1
328 1 64 MET QB 1 65 ASP H 5.000 2.800 5.300 3.221 2.843 3.780 . 0 0 "[ . ]" 1
329 1 64 MET ME 1 146 MET HA 5.000 2.800 5.300 4.980 4.356 5.345 0.045 2 0 "[ . ]" 1
330 1 64 MET ME 1 146 MET ME 3.000 . 3.300 2.632 1.622 3.349 0.049 4 0 "[ . ]" 1
331 1 64 MET HA 1 148 LEU HA 3.000 . 3.300 2.625 2.414 2.855 . 0 0 "[ . ]" 1
332 1 64 MET HA 1 149 PHE H 5.000 2.800 5.300 3.483 3.063 3.687 . 0 0 "[ . ]" 1
333 1 65 ASP H 1 147 ARG H 4.000 . 4.300 3.315 2.994 3.569 . 0 0 "[ . ]" 1
334 1 65 ASP H 1 148 LEU HA 5.000 2.800 5.300 3.936 3.675 4.255 . 0 0 "[ . ]" 1
335 1 66 ILE HA 1 67 ILE H 3.000 . 3.300 2.167 2.147 2.225 . 0 0 "[ . ]" 1
336 1 66 ILE MG 1 67 ILE H 3.000 . 3.300 2.639 2.279 3.397 0.097 6 0 "[ . ]" 1
337 1 66 ILE MG 1 99 LEU MD1 4.000 . 4.300 2.727 1.999 4.399 0.099 6 0 "[ . ]" 1
338 1 66 ILE MD 1 99 LEU MD1 3.000 . 3.300 2.452 2.079 3.103 . 0 0 "[ . ]" 1
339 1 66 ILE HA 1 146 MET HA 4.000 . 4.300 2.020 1.811 2.221 . 0 0 "[ . ]" 1
340 1 66 ILE MG 1 146 MET HA 5.000 2.800 5.300 3.437 3.013 4.399 . 0 0 "[ . ]" 1
341 1 67 ILE HA 1 68 THR H 3.000 . 3.300 2.259 2.162 2.354 . 0 0 "[ . ]" 1
342 1 67 ILE H 1 145 ALA H 5.000 2.800 5.300 3.718 3.416 4.016 . 0 0 "[ . ]" 1
343 1 67 ILE MG 1 145 ALA H 5.000 2.800 5.300 3.440 2.855 4.319 . 0 0 "[ . ]" 1
344 1 67 ILE MG 1 145 ALA MB 5.000 2.800 5.300 4.071 3.825 4.831 . 0 0 "[ . ]" 1
345 1 67 ILE H 1 146 MET HA 4.000 . 4.300 2.626 2.202 3.029 . 0 0 "[ . ]" 1
346 1 67 ILE MG 1 147 ARG HE 5.000 2.800 5.300 4.614 3.545 5.349 0.049 5 0 "[ . ]" 1
347 1 68 THR MG 1 69 ILE H 4.000 . 4.300 2.569 1.998 3.464 . 0 0 "[ . ]" 1
348 1 68 THR HA 1 69 ILE H 4.000 . 4.300 2.249 2.202 2.293 . 0 0 "[ . ]" 1
349 1 68 THR MG 1 70 CYS H 5.000 2.800 5.300 4.038 3.483 4.511 . 0 0 "[ . ]" 1
350 1 68 THR MG 1 142 TYR HE1 4.000 . 4.300 3.941 2.454 4.309 0.009 5 0 "[ . ]" 1
351 1 69 ILE H 1 70 CYS H 5.000 2.800 5.300 4.295 4.136 4.408 . 0 0 "[ . ]" 1
352 1 69 ILE HA 1 70 CYS H 3.000 . 3.300 2.141 2.107 2.201 . 0 0 "[ . ]" 1
353 1 69 ILE MG 1 70 CYS H 3.000 . 3.300 2.902 2.447 3.259 . 0 0 "[ . ]" 1
354 1 69 ILE MG 1 77 TYR HE1 4.000 . 4.300 2.652 1.802 3.033 . 0 0 "[ . ]" 1
355 1 69 ILE MG 1 81 ILE MG 5.000 2.800 5.300 4.331 2.704 5.304 0.096 4 0 "[ . ]" 1
356 1 69 ILE MG 1 81 ILE MD 5.000 2.800 5.300 3.827 2.837 5.392 0.092 4 0 "[ . ]" 1
357 1 69 ILE H 1 143 THR H 5.000 2.800 5.300 2.874 2.787 3.192 0.013 5 0 "[ . ]" 1
358 1 69 ILE MD 1 143 THR HB 5.000 2.800 5.300 2.951 2.758 3.633 0.042 3 0 "[ . ]" 1
359 1 70 CYS H 1 71 LYS H 5.000 2.800 5.300 3.948 3.717 4.125 . 0 0 "[ . ]" 1
360 1 70 CYS H 1 77 TYR HD1 5.000 2.800 5.300 3.994 3.036 4.606 . 0 0 "[ . ]" 1
361 1 70 CYS H 1 77 TYR HE1 5.000 2.800 5.300 5.060 4.460 5.331 0.031 5 0 "[ . ]" 1
362 1 70 CYS HA 1 142 TYR HA 5.000 2.800 5.300 3.803 3.443 4.209 . 0 0 "[ . ]" 1
363 1 71 LYS H 1 72 ASP H 5.000 2.800 5.300 2.771 2.720 2.817 0.080 2 0 "[ . ]" 1
364 1 71 LYS HA 1 74 LEU H 5.000 2.800 5.300 3.561 3.280 3.868 . 0 0 "[ . ]" 1
365 1 72 ASP H 1 73 LYS H 3.000 . 3.300 2.678 2.506 2.756 . 0 0 "[ . ]" 1
366 1 73 LYS H 1 74 LEU H 3.000 . 3.300 2.288 2.095 2.583 . 0 0 "[ . ]" 1
367 1 74 LEU HA 1 75 PRO HD3 3.000 . 3.300 2.831 2.603 3.012 . 0 0 "[ . ]" 1
368 1 74 LEU HA 1 75 PRO HD2 3.000 . 3.300 1.972 1.808 2.286 . 0 0 "[ . ]" 1
369 1 74 LEU MD1 1 75 PRO QD 4.000 . 4.300 4.098 4.003 4.184 . 0 0 "[ . ]" 1
370 1 74 LEU HA 1 76 ASN QB 5.000 2.800 5.300 5.543 5.512 5.581 0.281 6 0 "[ . ]" 1
371 1 74 LEU MD2 1 77 TYR HA 3.000 . 3.300 3.030 2.474 3.303 0.003 6 0 "[ . ]" 1
372 1 74 LEU MD2 1 77 TYR QD 4.000 . 4.300 3.650 2.537 4.251 . 0 0 "[ . ]" 1
373 1 74 LEU MD2 1 80 LYS H 5.000 2.800 5.300 5.001 4.782 5.174 . 0 0 "[ . ]" 1
374 1 76 ASN H 1 77 TYR H 4.000 . 4.300 2.463 2.285 2.540 . 0 0 "[ . ]" 1
375 1 76 ASN HA 1 77 TYR H 4.000 . 4.300 2.916 2.834 3.037 . 0 0 "[ . ]" 1
376 1 76 ASN QB 1 79 GLU H 5.000 2.800 5.300 4.851 4.633 4.977 . 0 0 "[ . ]" 1
377 1 76 ASN HA 1 80 LYS QB 4.000 . 4.300 4.371 4.310 4.407 0.107 6 0 "[ . ]" 1
378 1 77 TYR H 1 78 GLU H 4.000 . 4.300 2.749 2.711 2.771 . 0 0 "[ . ]" 1
379 1 77 TYR HA 1 80 LYS H 5.000 2.800 5.300 3.849 3.554 4.016 . 0 0 "[ . ]" 1
380 1 77 TYR HD2 1 78 GLU H 3.000 . 3.300 2.930 2.681 3.298 . 0 0 "[ . ]" 1
381 1 77 TYR QD 1 81 ILE MD 5.000 2.800 5.300 4.295 3.709 4.763 . 0 0 "[ . ]" 1
382 1 77 TYR QE 1 81 ILE MD 5.000 2.800 5.300 3.211 2.747 3.724 0.053 2 0 "[ . ]" 1
383 1 77 TYR QE 1 82 LYS H 5.000 2.800 5.300 5.381 5.325 5.454 0.154 2 0 "[ . ]" 1
384 1 78 GLU H 1 79 GLU H 3.000 . 3.300 2.878 2.727 2.990 . 0 0 "[ . ]" 1
385 1 78 GLU HA 1 81 ILE H 4.000 . 4.300 3.931 3.599 4.280 . 0 0 "[ . ]" 1
386 1 78 GLU HA 1 81 ILE MG 3.000 . 3.300 3.351 3.010 3.498 0.198 5 0 "[ . ]" 1
387 1 79 GLU H 1 80 LYS H 3.000 . 3.300 2.592 2.475 2.691 . 0 0 "[ . ]" 1
388 1 79 GLU HA 1 82 LYS H 4.000 . 4.300 3.723 3.572 4.017 . 0 0 "[ . ]" 1
389 1 80 LYS H 1 81 ILE H 3.000 . 3.300 2.737 2.540 2.961 . 0 0 "[ . ]" 1
390 1 80 LYS HA 1 81 ILE H 5.000 2.800 5.300 3.570 3.548 3.599 . 0 0 "[ . ]" 1
391 1 80 LYS HA 1 83 MET QB 5.000 2.800 5.300 2.954 2.790 3.230 0.010 1 0 "[ . ]" 1
392 1 80 LYS HA 1 155 TRP HE1 5.000 2.800 5.300 5.297 5.007 5.390 0.090 4 0 "[ . ]" 1
393 1 80 LYS QB 1 84 PHE QE 4.000 . 4.300 3.795 2.906 4.328 0.028 1 0 "[ . ]" 1
394 1 80 LYS QG 1 84 PHE QE 4.000 . 4.300 2.068 1.753 2.754 0.047 5 0 "[ . ]" 1
395 1 80 LYS HA 1 155 TRP HH2 3.000 . 3.300 2.013 1.663 3.337 0.037 3 0 "[ . ]" 1
396 1 81 ILE H 1 82 LYS H 4.000 . 4.300 2.659 2.551 2.886 . 0 0 "[ . ]" 1
397 1 81 ILE MG 1 82 LYS H 5.000 2.800 5.300 2.883 2.584 3.775 0.216 5 0 "[ . ]" 1
398 1 81 ILE MD 1 82 LYS H 4.000 . 4.300 3.937 2.246 4.416 0.116 3 0 "[ . ]" 1
399 1 81 ILE H 1 83 MET H 5.000 2.800 5.300 4.037 3.898 4.195 . 0 0 "[ . ]" 1
400 1 81 ILE HA 1 84 PHE QE 5.000 2.800 5.300 3.498 2.687 4.393 0.113 5 0 "[ . ]" 1
401 1 81 ILE MD 1 137 VAL H 5.000 2.800 5.300 4.244 3.697 5.157 . 0 0 "[ . ]" 1
402 1 81 ILE MD 1 137 VAL MG2 4.000 . 4.300 3.221 2.356 4.306 0.006 2 0 "[ . ]" 1
403 1 82 LYS HA 1 85 TYR QE 4.000 . 4.300 4.103 2.746 4.444 0.144 1 0 "[ . ]" 1
404 1 83 MET H 1 83 MET HB2 3.000 . 3.300 2.334 2.289 2.368 . 0 0 "[ . ]" 1
405 1 83 MET HB3 1 84 PHE H 3.000 . 3.300 3.285 2.995 3.436 0.136 6 0 "[ . ]" 1
406 1 83 MET H 1 155 TRP HH2 4.000 . 4.300 4.198 3.620 4.331 0.031 1 0 "[ . ]" 1
407 1 83 MET HB2 1 155 TRP HH2 4.000 . 4.300 2.466 2.023 2.792 . 0 0 "[ . ]" 1
408 1 83 MET HB2 1 155 TRP HZ2 3.000 . 3.300 2.100 1.686 3.080 . 0 0 "[ . ]" 1
409 1 83 MET ME 1 155 TRP HZ2 5.000 2.800 5.300 4.225 3.074 5.091 . 0 0 "[ . ]" 1
410 1 83 MET ME 1 155 TRP HE3 5.000 2.800 5.300 4.470 3.783 5.361 0.061 2 0 "[ . ]" 1
411 1 83 MET HA 1 158 TYR QE 4.000 . 4.300 4.273 4.075 4.373 0.073 2 0 "[ . ]" 1
412 1 83 MET QB 1 155 TRP HE1 5.000 2.800 5.300 3.527 3.055 4.272 . 0 0 "[ . ]" 1
413 1 83 MET QB 1 158 TYR QE 5.000 2.800 5.300 2.757 2.730 2.801 0.070 2 0 "[ . ]" 1
414 1 83 MET QG 1 158 TYR QE 5.000 2.800 5.300 3.553 2.786 4.439 0.014 2 0 "[ . ]" 1
415 1 85 TYR QB 1 86 GLU H 5.000 2.800 5.300 2.660 2.577 2.878 0.223 6 0 "[ . ]" 1
416 1 85 TYR QE 1 137 VAL H 5.000 2.800 5.300 4.029 2.886 5.290 . 0 0 "[ . ]" 1
417 1 86 GLU QB 1 87 GLU H 5.000 2.800 5.300 3.312 2.798 3.704 0.002 1 0 "[ . ]" 1
418 1 90 HIS HA 1 91 LEU H 4.000 . 4.300 2.264 2.192 2.405 . 0 0 "[ . ]" 1
419 1 95 ILE MG 1 124 MET ME 3.000 . 3.300 2.424 1.547 3.312 0.012 3 0 "[ . ]" 1
420 1 95 ILE H 1 148 LEU H 4.000 . 4.300 4.023 3.630 4.378 0.078 5 0 "[ . ]" 1
421 1 95 ILE MG 1 148 LEU QB 3.000 . 3.300 2.487 1.691 3.359 0.059 4 0 "[ . ]" 1
422 1 95 ILE MG 1 148 LEU MD1 3.000 . 3.300 2.607 1.833 3.311 0.011 4 0 "[ . ]" 1
423 1 96 ARG QD 1 98 ILE MD 4.000 . 4.300 3.571 2.647 4.196 . 0 0 "[ . ]" 1
424 1 96 ARG H 1 125 VAL H 4.000 . 4.300 3.369 3.164 3.702 . 0 0 "[ . ]" 1
425 1 97 TYR QE 1 99 LEU HA 4.000 . 4.300 3.916 2.876 4.335 0.035 1 0 "[ . ]" 1
426 1 97 TYR QE 1 99 LEU MD2 5.000 2.800 5.300 3.210 2.693 4.208 0.107 2 0 "[ . ]" 1
427 1 97 TYR HE1 1 124 MET H 3.000 . 3.300 3.424 3.378 3.499 0.199 6 0 "[ . ]" 1
428 1 97 TYR H 1 146 MET H 5.000 2.800 5.300 3.106 2.716 3.431 0.084 6 0 "[ . ]" 1
429 1 98 ILE MG 1 99 LEU H 4.000 . 4.300 3.259 2.971 3.394 . 0 0 "[ . ]" 1
430 1 98 ILE HA 1 100 ASP H 4.000 . 4.300 3.612 3.468 3.814 . 0 0 "[ . ]" 1
431 1 98 ILE MG 1 100 ASP H 4.000 2.800 4.300 2.892 2.778 3.183 0.022 2 0 "[ . ]" 1
432 1 98 ILE MG 1 123 ASP H 5.000 2.800 5.300 3.785 3.154 4.252 . 0 0 "[ . ]" 1
433 1 98 ILE MG 1 143 THR MG 3.000 . 3.300 2.949 2.518 3.321 0.021 3 0 "[ . ]" 1
434 1 98 ILE MD 1 145 ALA MB 3.000 . 3.300 1.817 1.522 2.482 . 0 0 "[ . ]" 1
435 1 98 ILE MD 1 146 MET H 5.000 2.800 5.300 4.183 3.716 4.688 . 0 0 "[ . ]" 1
436 1 99 LEU H 1 100 ASP H 3.000 . 3.300 2.436 2.342 2.529 . 0 0 "[ . ]" 1
437 1 99 LEU H 1 121 LYS HA 5.000 2.800 5.300 5.089 4.806 5.393 0.093 4 0 "[ . ]" 1
438 1 99 LEU H 1 145 ALA HA 4.000 . 4.300 1.792 1.728 1.843 0.072 6 0 "[ . ]" 1
439 1 99 LEU MD1 1 145 ALA HA 5.000 2.800 5.300 4.402 3.867 5.004 . 0 0 "[ . ]" 1
440 1 99 LEU H 1 146 MET H 5.000 2.800 5.300 3.223 3.027 3.441 . 0 0 "[ . ]" 1
441 1 99 LEU MD1 1 146 MET ME 3.000 . 3.300 3.035 2.269 3.348 0.048 4 0 "[ . ]" 1
442 1 99 LEU MD2 1 146 MET ME 3.000 . 3.300 2.779 1.776 3.335 0.035 1 0 "[ . ]" 1
443 1 100 ASP HA 1 101 GLY H 3.000 . 3.300 2.932 2.323 3.551 0.251 4 0 "[ . ]" 1
444 1 100 ASP H 1 101 GLY HA3 5.000 2.800 5.300 4.617 3.972 5.388 0.088 4 0 "[ . ]" 1
445 1 100 ASP QB 1 101 GLY H 5.000 2.800 5.300 3.080 2.732 3.412 0.068 4 0 "[ . ]" 1
446 1 100 ASP H 1 121 LYS HA 5.000 2.800 5.300 4.452 4.136 4.873 . 0 0 "[ . ]" 1
447 1 100 ASP H 1 145 ALA HA 3.000 . 3.300 3.414 3.364 3.458 0.158 2 0 "[ . ]" 1
448 1 101 GLY H 1 102 SER H 4.000 . 4.300 4.099 2.098 4.585 0.285 2 0 "[ . ]" 1
449 1 101 GLY H 1 121 LYS QB 5.000 2.800 5.300 3.940 2.779 5.183 0.021 5 0 "[ . ]" 1
450 1 101 GLY H 1 142 TYR QD 5.000 2.800 5.300 5.360 5.308 5.406 0.106 3 0 "[ . ]" 1
451 1 101 GLY H 1 142 TYR QE 5.000 2.800 5.300 5.134 5.034 5.272 . 0 0 "[ . ]" 1
452 1 101 GLY H 1 143 THR MG 5.000 2.800 5.300 4.169 3.217 4.832 . 0 0 "[ . ]" 1
453 1 102 SER HA 1 103 GLY H 3.000 . 3.300 2.263 2.196 2.380 . 0 0 "[ . ]" 1
454 1 102 SER H 1 142 TYR QD 5.000 2.800 5.300 4.865 4.306 5.180 . 0 0 "[ . ]" 1
455 1 102 SER H 1 143 THR HA 3.000 . 3.300 3.170 2.817 3.390 0.090 4 0 "[ . ]" 1
456 1 102 SER H 1 143 THR MG 4.000 . 4.300 2.944 2.186 3.597 . 0 0 "[ . ]" 1
457 1 103 GLY H 1 104 TYR H 5.000 2.800 5.300 4.330 3.977 4.437 . 0 0 "[ . ]" 1
458 1 103 GLY H 1 118 PHE QD 5.000 2.800 5.300 4.762 4.423 5.347 0.047 3 0 "[ . ]" 1
459 1 103 GLY H 1 118 PHE QE 5.000 2.800 5.300 4.034 3.666 5.028 . 0 0 "[ . ]" 1
460 1 103 GLY H 1 119 MET H 5.000 2.800 5.300 3.388 3.115 3.621 . 0 0 "[ . ]" 1
461 1 105 PHE QE 1 125 VAL MG1 4.000 . 4.300 3.561 1.786 4.196 0.014 3 0 "[ . ]" 1
462 1 104 TYR H 1 105 PHE H 5.000 2.800 5.300 4.399 4.351 4.433 . 0 0 "[ . ]" 1
463 1 104 TYR QB 1 105 PHE H 5.000 2.800 5.300 3.247 2.755 3.723 0.045 1 0 "[ . ]" 1
464 1 104 TYR QD 1 105 PHE H 5.000 2.800 5.300 3.813 3.454 4.154 . 0 0 "[ . ]" 1
465 1 104 TYR HA 1 119 MET H 4.000 . 4.300 2.862 2.069 3.211 . 0 0 "[ . ]" 1
466 1 104 TYR H 1 136 THR H 4.000 . 4.300 3.450 3.158 3.971 . 0 0 "[ . ]" 1
467 1 105 PHE HA 1 106 ASP H 3.000 . 3.300 2.224 2.150 2.335 . 0 0 "[ . ]" 1
468 1 105 PHE QB 1 106 ASP H 5.000 2.800 5.300 3.195 2.758 3.788 0.042 5 0 "[ . ]" 1
469 1 106 ASP HA 1 107 VAL H 3.000 . 3.300 2.188 2.147 2.280 . 0 0 "[ . ]" 1
470 1 107 VAL HA 1 108 ARG H 3.000 . 3.300 2.244 2.204 2.315 . 0 0 "[ . ]" 1
471 1 107 VAL H 1 114 TRP HE3 3.000 . 3.300 3.325 3.306 3.334 0.034 5 0 "[ . ]" 1
472 1 107 VAL H 1 115 ILE H 4.000 . 4.300 3.150 2.709 3.523 . 0 0 "[ . ]" 1
473 1 107 VAL H 1 116 ARG HA 4.000 . 4.300 4.288 4.115 4.377 0.077 3 0 "[ . ]" 1
474 1 109 ASP QB 1 110 LYS H 4.000 . 4.300 3.184 2.233 3.379 . 0 0 "[ . ]" 1
475 1 109 ASP H 1 113 GLN H 5.000 2.800 5.300 2.852 2.752 3.169 0.048 2 0 "[ . ]" 1
476 1 109 ASP QB 1 115 ILE MD 4.000 . 4.300 3.268 2.991 3.638 . 0 0 "[ . ]" 1
477 1 110 LYS H 1 111 GLU H 4.000 . 4.300 2.630 2.601 2.672 . 0 0 "[ . ]" 1
478 1 110 LYS HA 1 111 GLU H . . 3.300 3.457 3.438 3.478 0.178 5 0 "[ . ]" 1
479 1 110 LYS H 1 112 ASP H 5.000 2.800 5.300 4.127 4.032 4.251 . 0 0 "[ . ]" 1
480 1 111 GLU H 1 112 ASP H 3.000 . 3.300 2.680 2.630 2.768 . 0 0 "[ . ]" 1
481 1 111 GLU H 1 113 GLN H 5.000 2.800 5.300 3.855 3.708 4.058 . 0 0 "[ . ]" 1
482 1 112 ASP H 1 113 GLN H 4.000 . 4.300 2.535 2.426 2.671 . 0 0 "[ . ]" 1
483 1 112 ASP HA 1 113 GLN H 4.000 . 4.300 2.812 2.770 2.912 . 0 0 "[ . ]" 1
484 1 114 TRP HA 1 115 ILE H 3.000 . 3.300 2.181 2.150 2.244 . 0 0 "[ . ]" 1
485 1 115 ILE HA 1 116 ARG H 3.000 . 3.300 2.187 2.162 2.198 . 0 0 "[ . ]" 1
486 1 115 ILE MG 1 116 ARG H 3.000 . 3.300 2.354 2.201 2.508 . 0 0 "[ . ]" 1
487 1 115 ILE MD 1 117 ILE MG 5.000 2.800 5.300 5.199 4.056 5.472 0.172 3 0 "[ . ]" 1
488 1 116 ARG HA 1 117 ILE H 3.000 . 3.300 2.162 2.152 2.170 . 0 0 "[ . ]" 1
489 1 117 ILE HA 1 118 PHE H 3.000 . 3.300 2.154 2.135 2.174 . 0 0 "[ . ]" 1
490 1 117 ILE HB 1 118 PHE H 5.000 2.800 5.300 3.935 3.280 4.110 . 0 0 "[ . ]" 1
491 1 121 LYS H 1 122 GLY H 5.000 2.800 5.300 4.544 4.492 4.589 . 0 0 "[ . ]" 1
492 1 121 LYS H 1 123 ASP H 5.000 2.800 5.300 4.568 4.398 4.682 . 0 0 "[ . ]" 1
493 1 123 ASP H 1 124 MET H 4.000 . 4.300 4.412 4.395 4.435 0.135 1 0 "[ . ]" 1
494 1 123 ASP HA 1 124 MET H 3.000 . 3.300 2.132 2.120 2.141 . 0 0 "[ . ]" 1
495 1 125 VAL HB 1 126 THR H 5.000 2.800 5.300 4.065 3.996 4.104 . 0 0 "[ . ]" 1
496 1 125 VAL MG2 1 126 THR H 4.000 . 4.300 1.989 1.910 2.101 . 0 0 "[ . ]" 1
497 1 126 THR HA 1 127 LEU H 4.000 . 4.300 2.181 2.170 2.210 . 0 0 "[ . ]" 1
498 1 126 THR HB 1 127 LEU H 5.000 2.800 5.300 4.114 3.998 4.171 . 0 0 "[ . ]" 1
499 1 126 THR MG 1 127 LEU H 4.000 . 4.300 2.337 2.238 2.483 . 0 0 "[ . ]" 1
500 1 127 LEU MD2 1 131 ILE MG 4.000 . 4.300 3.265 2.705 4.203 . 0 0 "[ . ]" 1
501 1 127 LEU MD2 1 131 ILE MD 4.000 . 4.300 3.593 2.918 4.050 . 0 0 "[ . ]" 1
502 1 137 VAL MG2 1 141 ASN HA 4.000 . 4.300 3.527 2.292 4.337 0.037 3 0 "[ . ]" 1
503 1 137 VAL MG2 1 141 ASN H 4.000 . 4.300 3.898 3.637 4.318 0.018 2 0 "[ . ]" 1
504 1 139 GLU H 1 140 LYS H 5.000 2.800 5.300 2.773 2.728 2.889 0.072 3 0 "[ . ]" 1
505 1 139 GLU HA 1 140 LYS H 3.000 . 3.300 3.512 3.500 3.527 0.227 3 0 "[ . ]" 1
506 1 139 GLU H 1 141 ASN H 5.000 2.800 5.300 3.811 3.708 4.026 . 0 0 "[ . ]" 1
507 1 140 LYS QB 1 141 ASN H 5.000 2.800 5.300 3.171 2.745 3.615 0.055 3 0 "[ . ]" 1
508 1 141 ASN H 1 142 TYR H 4.000 . 4.300 2.720 2.638 2.823 . 0 0 "[ . ]" 1
509 1 141 ASN HA 1 142 TYR H 4.000 . 4.300 3.029 2.834 3.372 . 0 0 "[ . ]" 1
510 1 141 ASN QB 1 142 TYR H 5.000 2.800 5.300 3.661 3.187 3.843 . 0 0 "[ . ]" 1
511 1 142 TYR HA 1 143 THR H 3.000 . 3.300 2.206 2.157 2.235 . 0 0 "[ . ]" 1
512 1 142 TYR QB 1 143 THR H 5.000 2.800 5.300 3.949 3.826 4.006 . 0 0 "[ . ]" 1
513 1 143 THR HA 1 144 LYS H 4.000 . 4.300 2.180 2.152 2.218 . 0 0 "[ . ]" 1
514 1 143 THR HG1 1 144 LYS H 4.000 . 4.300 4.271 4.241 4.302 0.002 3 0 "[ . ]" 1
515 1 144 LYS HA 1 145 ALA H 3.000 . 3.300 2.162 2.142 2.185 . 0 0 "[ . ]" 1
516 1 145 ALA HA 1 146 MET H 3.000 . 3.300 2.316 2.294 2.335 . 0 0 "[ . ]" 1
517 1 145 ALA MB 1 146 MET H 5.000 2.800 5.300 2.723 2.670 2.761 0.130 5 0 "[ . ]" 1
518 1 148 LEU HA 1 149 PHE H 3.000 . 3.300 2.166 2.144 2.190 . 0 0 "[ . ]" 1
519 1 153 PRO HA 1 156 THR H 4.000 . 4.300 4.288 4.137 4.381 0.081 3 0 "[ . ]" 1
520 1 154 VAL HA 1 157 ALA H 4.000 . 4.300 3.734 3.501 3.977 . 0 0 "[ . ]" 1
521 1 155 TRP HA 1 158 TYR H 4.000 . 4.300 4.423 4.398 4.448 0.148 1 0 "[ . ]" 1
522 1 157 ALA MB 1 158 TYR H 3.000 . 3.300 3.476 3.465 3.480 0.180 5 0 "[ . ]" 1
523 1 162 ALA H 1 163 ASP H 4.000 . 4.300 2.573 2.535 2.644 . 0 0 "[ . ]" 1
524 1 162 ALA HA 1 163 ASP H 4.000 . 4.300 3.501 3.488 3.518 . 0 0 "[ . ]" 1
525 1 162 ALA MB 1 163 ASP H 5.000 2.800 5.300 2.779 2.761 2.829 0.039 5 0 "[ . ]" 1
526 1 166 GLU HA 1 167 ALA H 3.000 . 3.300 3.529 3.525 3.534 0.234 4 0 "[ . ]" 1
527 1 166 GLU H 1 167 ALA H 5.000 2.800 5.300 2.735 2.690 2.766 0.110 4 0 "[ . ]" 1
528 1 167 ALA HA 1 168 ARG H 3.000 . 3.300 3.544 3.541 3.546 0.246 4 0 "[ . ]" 1
529 1 167 ALA H 1 168 ARG H 5.000 2.800 5.300 2.652 2.642 2.668 0.158 6 0 "[ . ]" 1
530 1 168 ARG H 1 169 GLY H 3.000 . 3.300 2.445 2.364 2.515 . 0 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 73
_Distance_constraint_stats_list.Viol_count 141
_Distance_constraint_stats_list.Viol_total 61.729
_Distance_constraint_stats_list.Viol_max 0.255
_Distance_constraint_stats_list.Viol_rms 0.0436
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0235
_Distance_constraint_stats_list.Viol_average_violations_only 0.0730
_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 0.067 0.038 2 0 "[ . ]"
1 4 ALA 0.369 0.165 2 0 "[ . ]"
1 5 TRP 0.721 0.163 1 0 "[ . ]"
1 6 TYR 0.103 0.042 6 0 "[ . ]"
1 7 MET 0.338 0.107 4 0 "[ . ]"
1 24 ARG 0.000 0.000 . 0 "[ . ]"
1 25 PRO 0.721 0.163 1 0 "[ . ]"
1 26 VAL 0.369 0.165 2 0 "[ . ]"
1 27 GLY 0.000 0.000 . 0 "[ . ]"
1 28 LEU 0.029 0.029 4 0 "[ . ]"
1 29 GLU 0.455 0.103 3 0 "[ . ]"
1 30 GLN 0.000 0.000 . 0 "[ . ]"
1 31 LEU 0.000 0.000 . 0 "[ . ]"
1 32 ARG 0.029 0.029 4 0 "[ . ]"
1 33 ARG 0.455 0.103 3 0 "[ . ]"
1 34 LEU 0.000 0.000 . 0 "[ . ]"
1 37 LEU 0.211 0.085 2 0 "[ . ]"
1 38 TYR 0.061 0.061 3 0 "[ . ]"
1 39 TRP 0.048 0.027 4 0 "[ . ]"
1 42 ASP 0.000 0.000 . 0 "[ . ]"
1 43 ALA 0.974 0.255 6 0 "[ . ]"
1 44 ASP 0.211 0.105 1 0 "[ . ]"
1 46 TYR 0.000 0.000 . 0 "[ . ]"
1 47 GLU 0.974 0.255 6 0 "[ . ]"
1 48 ASN 0.211 0.105 1 0 "[ . ]"
1 50 PRO 0.684 0.200 3 0 "[ . ]"
1 51 GLU 0.182 0.081 5 0 "[ . ]"
1 52 LEU 0.221 0.122 4 0 "[ . ]"
1 53 GLU 0.018 0.018 2 0 "[ . ]"
1 54 LYS 0.828 0.200 3 0 "[ . ]"
1 55 ILE 0.182 0.081 5 0 "[ . ]"
1 56 ARG 0.221 0.122 4 0 "[ . ]"
1 57 ARG 0.018 0.018 2 0 "[ . ]"
1 58 GLU 0.143 0.093 3 0 "[ . ]"
1 59 ARG 0.000 0.000 . 0 "[ . ]"
1 63 TRP 0.007 0.007 3 0 "[ . ]"
1 64 MET 0.000 0.000 . 0 "[ . ]"
1 65 ASP 0.393 0.117 6 0 "[ . ]"
1 66 ILE 0.000 0.000 . 0 "[ . ]"
1 67 ILE 0.000 0.000 . 0 "[ . ]"
1 68 THR 0.000 0.000 . 0 "[ . ]"
1 69 ILE 0.375 0.136 4 0 "[ . ]"
1 76 ASN 0.783 0.173 4 0 "[ . ]"
1 77 TYR 0.000 0.000 . 0 "[ . ]"
1 78 GLU 0.000 0.000 . 0 "[ . ]"
1 79 GLU 0.783 0.173 4 0 "[ . ]"
1 80 LYS 0.672 0.166 2 0 "[ . ]"
1 81 ILE 0.000 0.000 . 0 "[ . ]"
1 82 LYS 0.202 0.128 5 0 "[ . ]"
1 83 MET 0.124 0.048 6 0 "[ . ]"
1 84 PHE 0.672 0.166 2 0 "[ . ]"
1 85 TYR 0.000 0.000 . 0 "[ . ]"
1 86 GLU 0.202 0.128 5 0 "[ . ]"
1 88 HIS 0.455 0.124 2 0 "[ . ]"
1 89 LEU 0.544 0.147 2 0 "[ . ]"
1 94 GLU 0.169 0.090 2 0 "[ . ]"
1 95 ILE 0.087 0.063 3 0 "[ . ]"
1 96 ARG 0.017 0.017 3 0 "[ . ]"
1 97 TYR 0.000 0.000 . 0 "[ . ]"
1 98 ILE 0.435 0.119 1 0 "[ . ]"
1 99 LEU 0.019 0.019 2 0 "[ . ]"
1 103 GLY 0.475 0.117 5 0 "[ . ]"
1 104 TYR 0.288 0.101 1 0 "[ . ]"
1 105 PHE 0.154 0.087 6 0 "[ . ]"
1 106 ASP 0.025 0.025 4 0 "[ . ]"
1 107 VAL 0.229 0.071 3 0 "[ . ]"
1 114 TRP 0.338 0.107 4 0 "[ . ]"
1 115 ILE 0.125 0.042 6 0 "[ . ]"
1 116 ARG 0.000 0.000 . 0 "[ . ]"
1 117 ILE 0.154 0.087 6 0 "[ . ]"
1 118 PHE 0.139 0.061 4 0 "[ . ]"
1 119 MET 0.475 0.117 5 0 "[ . ]"
1 123 ASP 0.435 0.119 1 0 "[ . ]"
1 124 MET 0.048 0.027 4 0 "[ . ]"
1 125 VAL 0.078 0.061 3 0 "[ . ]"
1 126 THR 0.211 0.085 2 0 "[ . ]"
1 127 LEU 0.169 0.090 2 0 "[ . ]"
1 133 HIS 0.662 0.124 2 0 "[ . ]"
1 134 ARG 0.025 0.025 4 0 "[ . ]"
1 135 PHE 0.000 0.000 . 0 "[ . ]"
1 136 THR 0.216 0.101 1 0 "[ . ]"
1 143 THR 0.375 0.136 4 0 "[ . ]"
1 144 LYS 0.019 0.019 2 0 "[ . ]"
1 145 ALA 0.000 0.000 . 0 "[ . ]"
1 146 MET 0.000 0.000 . 0 "[ . ]"
1 147 ARG 0.393 0.117 6 0 "[ . ]"
1 148 LEU 0.087 0.063 3 0 "[ . ]"
1 149 PHE 0.007 0.007 3 0 "[ . ]"
1 158 TYR 0.124 0.048 6 0 "[ . ]"
1 162 ALA 0.544 0.147 2 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 1 118 PHE N 3.100 . 3.400 3.128 2.589 3.438 0.038 2 0 "[ . ]" 2
2 1 4 ALA O 1 26 VAL N 2.700 . 3.000 3.061 3.000 3.165 0.165 2 0 "[ . ]" 2
3 1 5 TRP CA 1 25 PRO CA 4.500 2.300 4.800 4.920 4.890 4.963 0.163 1 0 "[ . ]" 2
4 1 5 TRP O 1 116 ARG N 3.100 . 3.400 2.878 2.538 3.043 . 0 0 "[ . ]" 2
5 1 5 TRP N 1 116 ARG O 3.100 . 3.400 2.687 2.478 2.983 . 0 0 "[ . ]" 2
6 1 6 TYR CA 1 115 ILE CA 4.600 2.400 4.900 4.788 4.217 4.942 0.042 6 0 "[ . ]" 2
7 1 6 TYR N 1 24 ARG O 4.400 2.200 4.700 4.125 3.954 4.295 . 0 0 "[ . ]" 2
8 1 7 MET N 1 114 TRP O 3.400 . 3.700 3.647 3.043 3.807 0.107 4 0 "[ . ]" 2
9 1 37 LEU O 1 126 THR N 3.000 . 3.300 2.756 2.464 3.085 . 0 0 "[ . ]" 2
10 1 37 LEU N 1 126 THR O 3.000 . 3.300 3.313 3.211 3.385 0.085 2 0 "[ . ]" 2
11 1 38 TYR CA 1 125 VAL CA 4.400 2.200 4.700 4.350 3.976 4.761 0.061 3 0 "[ . ]" 2
12 1 39 TRP O 1 124 MET N 2.800 . 3.100 2.834 2.542 3.127 0.027 4 0 "[ . ]" 2
13 1 39 TRP N 1 124 MET O 2.800 . 3.100 2.693 2.520 2.835 . 0 0 "[ . ]" 2
14 1 63 TRP N 1 149 PHE O 4.000 . 4.300 3.085 2.511 3.526 . 0 0 "[ . ]" 2
15 1 63 TRP O 1 149 PHE N 3.000 . 3.300 3.006 2.530 3.307 0.007 3 0 "[ . ]" 2
16 1 64 MET CA 1 148 LEU CA 4.600 2.400 4.900 4.622 4.285 4.892 . 0 0 "[ . ]" 2
17 1 65 ASP N 1 147 ARG O 3.000 . 3.300 3.365 3.316 3.417 0.117 6 0 "[ . ]" 2
18 1 65 ASP O 1 147 ARG N 3.000 . 3.300 3.034 2.927 3.190 . 0 0 "[ . ]" 2
19 1 66 ILE CA 1 146 MET CA 4.600 2.400 4.900 3.992 3.789 4.164 . 0 0 "[ . ]" 2
20 1 67 ILE N 1 145 ALA O 3.000 . 3.300 3.037 2.760 3.181 . 0 0 "[ . ]" 2
21 1 67 ILE O 1 145 ALA N 3.000 . 3.300 2.895 2.695 3.028 . 0 0 "[ . ]" 2
22 1 68 THR CA 1 144 LYS CA 4.600 2.400 4.900 3.909 3.615 4.083 . 0 0 "[ . ]" 2
23 1 69 ILE N 1 143 THR O 3.000 . 3.300 2.469 2.293 2.585 . 0 0 "[ . ]" 2
24 1 69 ILE O 1 143 THR N 3.000 . 3.300 3.362 3.317 3.436 0.136 4 0 "[ . ]" 2
25 1 83 MET O 1 158 TYR HH 2.400 . 2.700 2.624 2.260 2.748 0.048 6 0 "[ . ]" 2
26 1 88 HIS N 1 133 HIS O 3.200 . 3.500 3.476 3.352 3.535 0.035 1 0 "[ . ]" 2
27 1 88 HIS O 1 133 HIS N 3.200 . 3.500 3.501 3.147 3.624 0.124 2 0 "[ . ]" 2
28 1 89 LEU O 1 162 ALA N 2.800 . 3.100 3.191 3.110 3.247 0.147 2 0 "[ . ]" 2
29 1 94 GLU O 1 127 LEU N 2.800 . 3.100 2.741 2.557 3.024 . 0 0 "[ . ]" 2
30 1 94 GLU N 1 127 LEU O 2.800 . 3.100 3.043 2.805 3.190 0.090 2 0 "[ . ]" 2
31 1 95 ILE CA 1 126 THR CA 4.400 2.200 4.700 4.326 4.106 4.598 . 0 0 "[ . ]" 2
32 1 95 ILE O 1 148 LEU N 3.000 . 3.300 3.259 3.135 3.363 0.063 3 0 "[ . ]" 2
33 1 96 ARG O 1 125 VAL N 3.000 . 3.300 2.926 2.647 3.210 . 0 0 "[ . ]" 2
34 1 96 ARG N 1 125 VAL O 3.000 . 3.300 3.064 2.819 3.317 0.017 3 0 "[ . ]" 2
35 1 97 TYR CA 1 124 MET CA 4.000 . 4.300 3.992 3.784 4.171 . 0 0 "[ . ]" 2
36 1 97 TYR O 1 146 MET N 3.000 . 3.300 2.527 2.381 2.919 . 0 0 "[ . ]" 2
37 1 97 TYR N 1 146 MET O 3.000 . 3.300 2.701 2.488 2.852 . 0 0 "[ . ]" 2
38 1 98 ILE N 1 123 ASP O 2.800 . 3.100 3.169 3.077 3.219 0.119 1 0 "[ . ]" 2
39 1 99 LEU N 1 144 LYS O 2.800 . 3.100 3.019 2.940 3.119 0.019 2 0 "[ . ]" 2
40 1 103 GLY O 1 119 MET N 3.000 . 3.300 2.678 2.504 2.926 . 0 0 "[ . ]" 2
41 1 103 GLY N 1 119 MET O 2.900 . 3.200 3.279 3.219 3.317 0.117 5 0 "[ . ]" 2
42 1 104 TYR CA 1 118 PHE CA 4.600 2.400 4.900 4.587 3.992 4.961 0.061 4 0 "[ . ]" 2
43 1 104 TYR O 1 136 THR N 3.200 . 3.500 3.001 2.842 3.325 . 0 0 "[ . ]" 2
44 1 104 TYR N 1 136 THR O 2.800 . 3.100 3.118 2.991 3.201 0.101 1 0 "[ . ]" 2
45 1 105 PHE O 1 117 ILE N 2.900 . 3.200 3.110 2.741 3.287 0.087 6 0 "[ . ]" 2
46 1 105 PHE N 1 117 ILE O 2.800 . 3.100 2.825 2.560 3.010 . 0 0 "[ . ]" 2
47 1 105 PHE CA 1 135 PHE CA 4.800 2.600 5.100 4.690 4.408 5.068 . 0 0 "[ . ]" 2
48 1 106 ASP O 1 134 ARG N 3.300 . 3.600 3.164 2.873 3.625 0.025 4 0 "[ . ]" 2
49 1 106 ASP N 1 134 ARG O 3.300 . 3.600 2.842 2.461 3.343 . 0 0 "[ . ]" 2
50 1 107 VAL CA 1 133 HIS CA 4.500 2.300 4.800 4.831 4.782 4.871 0.071 3 0 "[ . ]" 2
51 1 107 VAL O 1 115 ILE N 3.300 . 3.600 3.014 2.812 3.277 . 0 0 "[ . ]" 2
52 1 107 VAL N 1 115 ILE O 3.300 . 3.600 3.448 3.210 3.623 0.023 1 0 "[ . ]" 2
53 1 27 GLY O 1 31 LEU N 3.600 . 3.900 3.073 2.896 3.349 . 0 0 "[ . ]" 2
54 1 28 LEU O 1 32 ARG N 2.900 . 3.200 2.964 2.498 3.229 0.029 4 0 "[ . ]" 2
55 1 29 GLU O 1 33 ARG N 2.900 . 3.200 3.276 3.247 3.303 0.103 3 0 "[ . ]" 2
56 1 30 GLN O 1 34 LEU N 3.200 . 3.500 3.231 2.632 3.481 . 0 0 "[ . ]" 2
57 1 42 ASP O 1 46 TYR N 3.000 . 3.300 2.423 2.334 2.560 . 0 0 "[ . ]" 2
58 1 43 ALA O 1 47 GLU N 3.000 . 3.300 3.462 3.416 3.555 0.255 6 0 "[ . ]" 2
59 1 44 ASP O 1 48 ASN N 3.000 . 3.300 3.332 3.287 3.405 0.105 1 0 "[ . ]" 2
60 1 50 PRO O 1 54 LYS N 3.000 . 3.300 3.414 3.366 3.500 0.200 3 0 "[ . ]" 2
61 1 51 GLU O 1 55 ILE N 3.000 . 3.300 3.315 3.237 3.381 0.081 5 0 "[ . ]" 2
62 1 52 LEU O 1 56 ARG N 3.000 . 3.300 3.277 3.100 3.422 0.122 4 0 "[ . ]" 2
63 1 53 GLU O 1 57 ARG N 3.000 . 3.300 3.096 2.816 3.318 0.018 2 0 "[ . ]" 2
64 1 54 LYS O 1 58 GLU N 3.000 . 3.300 3.179 2.883 3.393 0.093 3 0 "[ . ]" 2
65 1 55 ILE O 1 59 ARG N 3.000 . 3.300 2.979 2.711 3.290 . 0 0 "[ . ]" 2
66 1 76 ASN OD1 1 79 GLU N 3.000 . 3.300 3.430 3.392 3.473 0.173 4 0 "[ . ]" 2
67 1 76 ASN O 1 80 LYS N 3.000 . 3.300 2.744 2.618 2.851 . 0 0 "[ . ]" 2
68 1 77 TYR O 1 81 ILE N 3.000 . 3.300 2.727 2.591 3.039 . 0 0 "[ . ]" 2
69 1 78 GLU O 1 82 LYS N 3.000 . 3.300 2.844 2.635 3.122 . 0 0 "[ . ]" 2
70 1 79 GLU O 1 83 MET N 3.000 . 3.300 2.979 2.526 3.295 . 0 0 "[ . ]" 2
71 1 80 LYS O 1 84 PHE N 3.000 . 3.300 3.393 3.186 3.466 0.166 2 0 "[ . ]" 2
72 1 81 ILE O 1 85 TYR N 3.000 . 3.300 2.644 2.406 2.817 . 0 0 "[ . ]" 2
73 1 82 LYS O 1 86 GLU N 3.000 . 3.300 3.231 3.059 3.428 0.128 5 0 "[ . ]" 2
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save_
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