NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
624592 |
5vkv   |
30286 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5vkv
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 151
_Distance_constraint_stats_list.Viol_count 3
_Distance_constraint_stats_list.Viol_total 0.917
_Distance_constraint_stats_list.Viol_max 0.063
_Distance_constraint_stats_list.Viol_rms 0.0018
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0306
_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 6 THR 0.000 0.000 . 0 "[ . 1]"
1 7 ALA 0.000 0.000 . 0 "[ . 1]"
1 8 ALA 0.000 0.000 . 0 "[ . 1]"
1 9 PHE 0.000 0.000 . 0 "[ . 1]"
1 10 LEU 0.000 0.000 . 0 "[ . 1]"
1 11 ALA 0.000 0.000 . 0 "[ . 1]"
1 12 GLY 0.000 0.000 . 0 "[ . 1]"
1 13 VAL 0.000 0.000 . 0 "[ . 1]"
1 14 LEU 0.000 0.000 . 0 "[ . 1]"
1 15 SER 0.000 0.000 . 0 "[ . 1]"
1 16 PHE 0.000 0.000 . 0 "[ . 1]"
1 17 LEU 0.000 0.000 . 0 "[ . 1]"
1 18 SER 0.000 0.000 . 0 "[ . 1]"
1 27 THR 0.000 0.000 . 0 "[ . 1]"
1 28 TYR 0.000 0.000 . 0 "[ . 1]"
1 29 LEU 0.000 0.000 . 0 "[ . 1]"
1 30 PHE 0.000 0.000 . 0 "[ . 1]"
1 31 TYR 0.000 0.000 . 0 "[ . 1]"
1 32 LEU 0.000 0.000 . 0 "[ . 1]"
1 40 LEU 0.000 0.000 . 0 "[ . 1]"
1 41 PHE 0.000 0.000 . 0 "[ . 1]"
1 42 ASN 0.000 0.000 . 0 "[ . 1]"
1 43 ALA 0.000 0.000 . 0 "[ . 1]"
1 44 LEU 0.000 0.000 . 0 "[ . 1]"
1 45 PHE 0.000 0.000 . 0 "[ . 1]"
1 46 PHE 0.000 0.000 . 0 "[ . 1]"
1 47 ILE 0.025 0.025 9 0 "[ . 1]"
1 48 LEU 0.000 0.000 . 0 "[ . 1]"
1 49 GLY 0.025 0.025 9 0 "[ . 1]"
1 50 PHE 0.000 0.000 . 0 "[ . 1]"
1 52 ALA 0.000 0.000 . 0 "[ . 1]"
1 53 VAL 0.000 0.000 . 0 "[ . 1]"
1 55 PHE 0.000 0.000 . 0 "[ . 1]"
1 56 LEU 0.000 0.000 . 0 "[ . 1]"
1 58 GLY 0.000 0.000 . 0 "[ . 1]"
1 59 LEU 0.000 0.000 . 0 "[ . 1]"
1 65 GLY 0.000 0.000 . 0 "[ . 1]"
1 66 GLY 0.000 0.000 . 0 "[ . 1]"
1 67 LEU 0.000 0.000 . 0 "[ . 1]"
1 68 LEU 0.000 0.000 . 0 "[ . 1]"
1 75 LEU 0.000 0.000 . 0 "[ . 1]"
1 76 ALA 0.000 0.000 . 0 "[ . 1]"
1 77 ARG 0.000 0.000 . 0 "[ . 1]"
1 78 VAL 0.000 0.000 . 0 "[ . 1]"
1 79 GLY 0.000 0.000 . 0 "[ . 1]"
1 80 GLY 0.000 0.000 . 0 "[ . 1]"
1 81 VAL 0.000 0.000 . 0 "[ . 1]"
1 82 VAL 0.000 0.000 . 0 "[ . 1]"
1 83 LEU 0.000 0.000 . 0 "[ . 1]"
1 84 VAL 0.000 0.000 . 0 "[ . 1]"
1 85 LEU 0.000 0.000 . 0 "[ . 1]"
1 86 PHE 0.000 0.000 . 0 "[ . 1]"
1 87 GLY 0.000 0.000 . 0 "[ . 1]"
1 88 LEU 0.000 0.000 . 0 "[ . 1]"
1 89 TYR 0.000 0.000 . 0 "[ . 1]"
1 90 MET 0.000 0.000 . 0 "[ . 1]"
1 91 LEU 0.000 0.000 . 0 "[ . 1]"
1 92 GLY 0.000 0.000 . 0 "[ . 1]"
1 93 LEU 0.000 0.000 . 0 "[ . 1]"
1 111 LEU 0.000 0.000 . 0 "[ . 1]"
1 112 GLY 0.000 0.000 . 0 "[ . 1]"
1 113 ALA 0.000 0.000 . 0 "[ . 1]"
1 114 PHE 0.000 0.000 . 0 "[ . 1]"
1 115 LEU 0.000 0.000 . 0 "[ . 1]"
1 116 LEU 0.000 0.000 . 0 "[ . 1]"
1 117 GLY 0.000 0.000 . 0 "[ . 1]"
1 118 ALA 0.000 0.000 . 0 "[ . 1]"
1 119 THR 0.000 0.000 . 0 "[ . 1]"
1 120 LEU 0.000 0.000 . 0 "[ . 1]"
1 121 ALA 0.000 0.000 . 0 "[ . 1]"
1 127 CYS 0.000 0.000 . 0 "[ . 1]"
1 129 GLY 0.000 0.000 . 0 "[ . 1]"
1 131 ILE 0.000 0.000 . 0 "[ . 1]"
1 133 GLY 0.000 0.000 . 0 "[ . 1]"
1 134 ALA 0.000 0.000 . 0 "[ . 1]"
1 135 ILE 0.000 0.000 . 0 "[ . 1]"
1 146 GLY 0.000 0.000 . 0 "[ . 1]"
1 147 PHE 0.000 0.000 . 0 "[ . 1]"
1 148 LEU 0.000 0.000 . 0 "[ . 1]"
1 149 LEU 0.000 0.000 . 0 "[ . 1]"
1 150 ALA 0.000 0.000 . 0 "[ . 1]"
1 151 TYR 0.000 0.000 . 0 "[ . 1]"
1 152 ILE 0.000 0.000 . 0 "[ . 1]"
1 153 LEU 0.000 0.000 . 0 "[ . 1]"
1 154 GLY 0.000 0.000 . 0 "[ . 1]"
1 155 LEU 0.000 0.000 . 0 "[ . 1]"
1 156 ALA 0.000 0.000 . 0 "[ . 1]"
1 157 VAL 0.000 0.000 . 0 "[ . 1]"
1 159 PHE 0.000 0.000 . 0 "[ . 1]"
1 160 PHE 0.000 0.000 . 0 "[ . 1]"
1 161 VAL 0.000 0.000 . 0 "[ . 1]"
1 162 VAL 0.000 0.000 . 0 "[ . 1]"
1 163 ALA 0.003 0.003 3 0 "[ . 1]"
1 164 LEU 0.000 0.000 . 0 "[ . 1]"
1 165 PHE 0.003 0.003 3 0 "[ . 1]"
1 169 ILE 0.063 0.063 10 0 "[ . 1]"
1 170 LYS 0.000 0.000 . 0 "[ . 1]"
1 171 GLY 0.063 0.063 10 0 "[ . 1]"
1 172 TRP 0.000 0.000 . 0 "[ . 1]"
1 173 LEU 0.000 0.000 . 0 "[ . 1]"
1 174 ARG 0.000 0.000 . 0 "[ . 1]"
1 175 ARG 0.000 0.000 . 0 "[ . 1]"
1 182 TYR 0.000 0.000 . 0 "[ . 1]"
1 183 VAL 0.000 0.000 . 0 "[ . 1]"
1 184 GLU 0.000 0.000 . 0 "[ . 1]"
1 185 VAL 0.000 0.000 . 0 "[ . 1]"
1 186 LEU 0.000 0.000 . 0 "[ . 1]"
1 187 ALA 0.000 0.000 . 0 "[ . 1]"
1 188 GLY 0.000 0.000 . 0 "[ . 1]"
1 189 VAL 0.000 0.000 . 0 "[ . 1]"
1 190 VAL 0.000 0.000 . 0 "[ . 1]"
1 191 LEU 0.000 0.000 . 0 "[ . 1]"
1 192 VAL 0.000 0.000 . 0 "[ . 1]"
1 193 LEU 0.000 0.000 . 0 "[ . 1]"
1 194 VAL 0.000 0.000 . 0 "[ . 1]"
1 195 GLY 0.000 0.000 . 0 "[ . 1]"
1 196 VAL 0.000 0.000 . 0 "[ . 1]"
1 197 LEU 0.000 0.000 . 0 "[ . 1]"
1 198 LEU 0.000 0.000 . 0 "[ . 1]"
1 200 THR 0.000 0.000 . 0 "[ . 1]"
1 201 GLY 0.000 0.000 . 0 "[ . 1]"
1 206 LEU 0.000 0.000 . 0 "[ . 1]"
1 207 ASN 0.000 0.000 . 0 "[ . 1]"
1 209 PHE 0.000 0.000 . 0 "[ . 1]"
1 211 LEU 0.000 0.000 . 0 "[ . 1]"
1 212 ARG 0.000 0.000 . 0 "[ . 1]"
1 213 ILE 0.000 0.000 . 0 "[ . 1]"
1 214 THR 0.000 0.000 . 0 "[ . 1]"
1 218 LEU 0.000 0.000 . 0 "[ . 1]"
1 219 GLN 0.000 0.000 . 0 "[ . 1]"
1 220 ARG 0.000 0.000 . 0 "[ . 1]"
1 221 TYR 0.000 0.000 . 0 "[ . 1]"
1 222 LEU 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 THR H 1 7 ALA H 4.200 . 4.500 2.706 2.534 2.795 . 0 0 "[ . 1]" 1
2 1 6 THR H 1 8 ALA H 4.200 . 4.500 4.243 4.080 4.414 . 0 0 "[ . 1]" 1
3 1 7 ALA H 1 8 ALA H 2.800 . 3.000 2.727 2.665 2.779 . 0 0 "[ . 1]" 1
4 1 7 ALA H 1 9 PHE H 4.200 . 4.500 4.051 3.721 4.379 . 0 0 "[ . 1]" 1
5 1 8 ALA H 1 9 PHE H 2.800 . 3.000 2.662 2.542 2.753 . 0 0 "[ . 1]" 1
6 1 8 ALA H 1 10 LEU H 4.200 . 4.500 4.393 4.223 4.496 . 0 0 "[ . 1]" 1
7 1 9 PHE H 1 10 LEU H 2.800 . 3.000 2.718 2.573 2.858 . 0 0 "[ . 1]" 1
8 1 9 PHE H 1 11 ALA H 4.200 . 4.500 3.994 3.731 4.265 . 0 0 "[ . 1]" 1
9 1 11 ALA H 1 12 GLY H 2.800 . 3.000 2.715 2.676 2.758 . 0 0 "[ . 1]" 1
10 1 11 ALA H 1 13 VAL H 4.200 . 4.500 4.214 4.143 4.269 . 0 0 "[ . 1]" 1
11 1 12 GLY H 1 13 VAL H 2.800 . 3.000 2.738 2.694 2.780 . 0 0 "[ . 1]" 1
12 1 12 GLY H 1 14 LEU H 4.200 . 4.500 4.117 4.025 4.191 . 0 0 "[ . 1]" 1
13 1 13 VAL H 1 14 LEU H 4.200 . 4.500 2.626 2.532 2.683 . 0 0 "[ . 1]" 1
14 1 13 VAL H 1 15 SER H 4.200 . 4.500 4.201 4.095 4.459 . 0 0 "[ . 1]" 1
15 1 14 LEU H 1 15 SER H 4.200 . 4.500 2.704 2.660 2.782 . 0 0 "[ . 1]" 1
16 1 15 SER H 1 17 LEU H 4.200 . 4.500 4.143 4.005 4.316 . 0 0 "[ . 1]" 1
17 1 16 PHE H 1 17 LEU H 2.800 . 3.000 2.568 2.501 2.679 . 0 0 "[ . 1]" 1
18 1 16 PHE H 1 18 SER H 4.200 . 5.000 3.756 3.651 3.806 . 0 0 "[ . 1]" 1
19 1 17 LEU H 1 18 SER H 2.800 . 3.000 2.401 2.346 2.454 . 0 0 "[ . 1]" 1
20 1 27 THR H 1 29 LEU H 4.200 . 4.500 4.150 3.945 4.313 . 0 0 "[ . 1]" 1
21 1 28 TYR H 1 29 LEU H 4.200 . 4.500 2.561 2.463 2.657 . 0 0 "[ . 1]" 1
22 1 28 TYR H 1 30 PHE H 4.200 . 5.000 4.036 3.651 4.547 . 0 0 "[ . 1]" 1
23 1 29 LEU H 1 30 PHE H 2.800 . 3.000 2.462 2.234 2.658 . 0 0 "[ . 1]" 1
24 1 30 PHE H 1 31 TYR H 2.800 . 3.000 2.689 2.483 2.824 . 0 0 "[ . 1]" 1
25 1 30 PHE H 1 32 LEU H 4.200 . 4.500 4.043 3.788 4.365 . 0 0 "[ . 1]" 1
26 1 31 TYR H 1 32 LEU H 2.800 . 3.000 2.577 2.326 2.750 . 0 0 "[ . 1]" 1
27 1 40 LEU H 1 41 PHE H 4.200 . 5.000 2.675 2.605 2.743 . 0 0 "[ . 1]" 1
28 1 40 LEU H 1 42 ASN H 4.200 . 4.500 4.073 3.898 4.267 . 0 0 "[ . 1]" 1
29 1 41 PHE H 1 42 ASN H 2.800 . 3.000 2.500 2.431 2.571 . 0 0 "[ . 1]" 1
30 1 42 ASN H 1 43 ALA H 2.800 . 3.000 2.635 2.577 2.717 . 0 0 "[ . 1]" 1
31 1 42 ASN H 1 44 LEU H 4.200 . 4.500 4.199 3.952 4.454 . 0 0 "[ . 1]" 1
32 1 43 ALA H 1 44 LEU H 2.800 . 3.000 2.708 2.598 2.828 . 0 0 "[ . 1]" 1
33 1 44 LEU H 1 45 PHE H 2.800 . 3.000 2.797 2.664 2.842 . 0 0 "[ . 1]" 1
34 1 44 LEU H 1 46 PHE H 4.200 . 4.500 4.177 3.801 4.375 . 0 0 "[ . 1]" 1
35 1 45 PHE H 1 46 PHE H 2.800 . 3.000 2.656 2.563 2.700 . 0 0 "[ . 1]" 1
36 1 47 ILE H 1 49 GLY H 4.200 . 4.500 4.274 4.145 4.525 0.025 9 0 "[ . 1]" 1
37 1 48 LEU H 1 49 GLY H 2.800 . 3.000 2.687 2.649 2.790 . 0 0 "[ . 1]" 1
38 1 48 LEU H 1 50 PHE H 4.200 . 5.000 4.171 3.972 4.302 . 0 0 "[ . 1]" 1
39 1 49 GLY H 1 50 PHE H 4.200 . 4.500 2.804 2.738 2.888 . 0 0 "[ . 1]" 1
40 1 50 PHE H 1 52 ALA H 4.200 . 4.500 4.250 4.133 4.381 . 0 0 "[ . 1]" 1
41 1 52 ALA H 1 53 VAL H 2.800 . 3.000 2.748 2.699 2.794 . 0 0 "[ . 1]" 1
42 1 53 VAL H 1 55 PHE H 4.200 . 4.500 4.087 3.991 4.330 . 0 0 "[ . 1]" 1
43 1 55 PHE H 1 56 LEU H 2.800 . 3.000 2.505 2.437 2.640 . 0 0 "[ . 1]" 1
44 1 58 GLY H 1 59 LEU H 2.800 . 3.000 2.538 2.444 2.617 . 0 0 "[ . 1]" 1
45 1 65 GLY H 1 66 GLY H 4.200 . 5.000 2.634 2.551 2.696 . 0 0 "[ . 1]" 1
46 1 67 LEU H 1 68 LEU H 2.800 . 3.000 2.343 2.254 2.447 . 0 0 "[ . 1]" 1
47 1 75 LEU H 1 76 ALA H 2.800 . 3.000 2.434 2.327 2.560 . 0 0 "[ . 1]" 1
48 1 77 ARG H 1 78 VAL H 2.800 . 3.000 2.597 2.510 2.681 . 0 0 "[ . 1]" 1
49 1 77 ARG H 1 79 GLY H 4.200 . 4.500 4.194 4.105 4.330 . 0 0 "[ . 1]" 1
50 1 78 VAL H 1 79 GLY H 2.800 . 3.000 2.663 2.591 2.777 . 0 0 "[ . 1]" 1
51 1 78 VAL H 1 80 GLY H 4.200 . 5.000 4.190 4.099 4.299 . 0 0 "[ . 1]" 1
52 1 79 GLY H 1 81 VAL H 4.200 . 5.000 4.212 4.149 4.310 . 0 0 "[ . 1]" 1
53 1 80 GLY H 1 81 VAL H 4.200 . 4.500 2.623 2.478 2.675 . 0 0 "[ . 1]" 1
54 1 81 VAL H 1 83 LEU H 4.200 . 4.500 4.128 3.974 4.187 . 0 0 "[ . 1]" 1
55 1 82 VAL H 1 83 LEU H 2.800 . 3.000 2.654 2.558 2.709 . 0 0 "[ . 1]" 1
56 1 82 VAL H 1 84 VAL H 4.200 . 4.500 4.208 4.158 4.280 . 0 0 "[ . 1]" 1
57 1 84 VAL H 1 86 PHE H 4.200 . 4.500 4.129 4.069 4.196 . 0 0 "[ . 1]" 1
58 1 85 LEU H 1 86 PHE H 4.200 . 4.500 2.714 2.677 2.748 . 0 0 "[ . 1]" 1
59 1 86 PHE H 1 87 GLY H 2.800 . 3.000 2.655 2.601 2.717 . 0 0 "[ . 1]" 1
60 1 87 GLY H 1 88 LEU H 2.800 . 3.000 2.695 2.649 2.734 . 0 0 "[ . 1]" 1
61 1 87 GLY H 1 89 TYR H 4.200 . 4.500 4.161 4.046 4.260 . 0 0 "[ . 1]" 1
62 1 88 LEU H 1 89 TYR H 2.800 . 3.000 2.659 2.581 2.704 . 0 0 "[ . 1]" 1
63 1 88 LEU H 1 90 MET H 4.200 . 4.500 3.990 3.920 4.196 . 0 0 "[ . 1]" 1
64 1 89 TYR H 1 90 MET H 2.800 . 3.000 2.498 2.445 2.604 . 0 0 "[ . 1]" 1
65 1 89 TYR H 1 91 LEU H 4.200 . 4.500 3.926 3.837 4.026 . 0 0 "[ . 1]" 1
66 1 90 MET H 1 91 LEU H 2.800 . 3.000 2.530 2.491 2.560 . 0 0 "[ . 1]" 1
67 1 91 LEU H 1 92 GLY H 2.800 . 3.000 2.670 2.613 2.727 . 0 0 "[ . 1]" 1
68 1 92 GLY H 1 93 LEU H 2.800 . 3.000 2.434 2.223 2.661 . 0 0 "[ . 1]" 1
69 1 111 LEU H 1 112 GLY H 4.200 . 4.500 2.504 2.389 2.601 . 0 0 "[ . 1]" 1
70 1 112 GLY H 1 113 ALA H 4.200 . 5.000 2.597 2.450 2.690 . 0 0 "[ . 1]" 1
71 1 113 ALA H 1 115 LEU H 4.200 . 4.500 4.112 3.955 4.235 . 0 0 "[ . 1]" 1
72 1 114 PHE H 1 115 LEU H 2.800 . 3.000 2.579 2.434 2.710 . 0 0 "[ . 1]" 1
73 1 115 LEU H 1 117 GLY H 4.200 . 4.500 3.961 3.791 4.357 . 0 0 "[ . 1]" 1
74 1 116 LEU H 1 117 GLY H 2.800 . 3.000 2.555 2.476 2.720 . 0 0 "[ . 1]" 1
75 1 116 LEU H 1 118 ALA H 4.200 . 4.500 4.181 3.852 4.364 . 0 0 "[ . 1]" 1
76 1 117 GLY H 1 118 ALA H 2.800 . 3.000 2.520 2.354 2.686 . 0 0 "[ . 1]" 1
77 1 119 THR H 1 120 LEU H 4.200 . 4.500 2.637 2.516 2.733 . 0 0 "[ . 1]" 1
78 1 119 THR H 1 121 ALA H 4.200 . 4.500 3.997 3.894 4.177 . 0 0 "[ . 1]" 1
79 1 120 LEU H 1 121 ALA H 4.200 . 4.500 2.540 2.446 2.632 . 0 0 "[ . 1]" 1
80 1 127 CYS H 1 129 GLY H 4.200 . 5.000 3.801 3.619 4.023 . 0 0 "[ . 1]" 1
81 1 131 ILE H 1 133 GLY H 4.200 . 4.500 4.002 3.808 4.148 . 0 0 "[ . 1]" 1
82 1 133 GLY H 1 134 ALA H 2.800 . 3.000 2.692 2.579 2.755 . 0 0 "[ . 1]" 1
83 1 133 GLY H 1 135 ILE H 4.200 . 4.500 4.088 3.885 4.261 . 0 0 "[ . 1]" 1
84 1 134 ALA H 1 135 ILE H 2.800 . 3.000 2.513 2.351 2.617 . 0 0 "[ . 1]" 1
85 1 146 GLY H 1 147 PHE H 4.200 . 4.500 2.683 2.614 2.781 . 0 0 "[ . 1]" 1
86 1 147 PHE H 1 149 LEU H 4.200 . 4.500 4.083 3.883 4.182 . 0 0 "[ . 1]" 1
87 1 148 LEU H 1 149 LEU H 2.800 . 3.000 2.699 2.648 2.755 . 0 0 "[ . 1]" 1
88 1 148 LEU H 1 150 ALA H 4.200 . 4.500 4.130 4.080 4.258 . 0 0 "[ . 1]" 1
89 1 149 LEU H 1 151 TYR H 4.200 . 5.000 4.068 3.901 4.230 . 0 0 "[ . 1]" 1
90 1 150 ALA H 1 151 TYR H 2.800 . 3.000 2.656 2.593 2.704 . 0 0 "[ . 1]" 1
91 1 151 TYR H 1 152 ILE H 2.800 . 3.000 2.759 2.640 2.868 . 0 0 "[ . 1]" 1
92 1 151 TYR H 1 153 LEU H 4.200 . 4.500 4.203 4.084 4.332 . 0 0 "[ . 1]" 1
93 1 152 ILE H 1 153 LEU H 2.800 . 3.000 2.712 2.664 2.770 . 0 0 "[ . 1]" 1
94 1 152 ILE H 1 154 GLY H 4.200 . 4.500 4.017 3.951 4.140 . 0 0 "[ . 1]" 1
95 1 153 LEU H 1 154 GLY H 2.800 . 3.000 2.626 2.567 2.697 . 0 0 "[ . 1]" 1
96 1 153 LEU H 1 155 LEU H 4.200 . 4.500 4.329 4.254 4.435 . 0 0 "[ . 1]" 1
97 1 154 GLY H 1 155 LEU H 2.800 . 3.000 2.777 2.735 2.805 . 0 0 "[ . 1]" 1
98 1 155 LEU H 1 156 ALA H 2.800 . 3.000 2.419 2.334 2.534 . 0 0 "[ . 1]" 1
99 1 155 LEU H 1 157 VAL H 4.200 . 5.000 4.285 4.215 4.491 . 0 0 "[ . 1]" 1
100 1 156 ALA H 1 157 VAL H 4.200 . 4.500 2.722 2.661 2.842 . 0 0 "[ . 1]" 1
101 1 157 VAL H 1 159 PHE H 4.200 . 4.500 4.178 4.086 4.335 . 0 0 "[ . 1]" 1
102 1 159 PHE H 1 160 PHE H 2.800 . 3.000 2.756 2.664 2.811 . 0 0 "[ . 1]" 1
103 1 159 PHE H 1 161 VAL H 4.200 . 4.500 4.166 4.009 4.403 . 0 0 "[ . 1]" 1
104 1 160 PHE H 1 161 VAL H 4.200 . 5.000 2.639 2.538 2.764 . 0 0 "[ . 1]" 1
105 1 161 VAL H 1 162 VAL H 2.800 . 3.000 2.709 2.616 2.808 . 0 0 "[ . 1]" 1
106 1 162 VAL H 1 163 ALA H 2.800 . 3.000 2.649 2.573 2.704 . 0 0 "[ . 1]" 1
107 1 162 VAL H 1 164 LEU H 4.200 . 4.500 4.116 3.989 4.244 . 0 0 "[ . 1]" 1
108 1 163 ALA H 1 164 LEU H 2.800 . 3.000 2.751 2.708 2.816 . 0 0 "[ . 1]" 1
109 1 163 ALA H 1 165 PHE H 4.200 . 4.500 4.322 4.170 4.503 0.003 3 0 "[ . 1]" 1
110 1 164 LEU H 1 165 PHE H 2.800 . 3.000 2.557 2.492 2.664 . 0 0 "[ . 1]" 1
111 1 169 ILE H 1 170 LYS H 2.800 . 3.000 2.495 2.334 2.582 . 0 0 "[ . 1]" 1
112 1 169 ILE H 1 171 GLY H 4.200 . 4.500 4.345 4.173 4.563 0.063 10 0 "[ . 1]" 1
113 1 171 GLY H 1 172 TRP H 2.800 . 3.000 2.576 2.384 2.801 . 0 0 "[ . 1]" 1
114 1 171 GLY H 1 173 LEU H 4.200 . 4.500 4.002 3.806 4.250 . 0 0 "[ . 1]" 1
115 1 172 TRP H 1 173 LEU H 2.800 . 3.000 2.442 2.306 2.562 . 0 0 "[ . 1]" 1
116 1 173 LEU H 1 174 ARG H 2.800 . 3.000 2.703 2.535 2.857 . 0 0 "[ . 1]" 1
117 1 174 ARG H 1 175 ARG H 2.800 . 3.000 2.572 2.313 2.959 . 0 0 "[ . 1]" 1
118 1 182 TYR H 1 183 VAL H 2.800 . 3.000 2.510 2.355 2.632 . 0 0 "[ . 1]" 1
119 1 182 TYR H 1 184 GLU H 4.200 . 4.500 3.829 3.651 4.025 . 0 0 "[ . 1]" 1
120 1 184 GLU H 1 185 VAL H 2.800 . 3.000 2.489 2.273 2.701 . 0 0 "[ . 1]" 1
121 1 184 GLU H 1 186 LEU H 4.200 . 4.500 3.927 3.700 4.287 . 0 0 "[ . 1]" 1
122 1 185 VAL H 1 186 LEU H 2.800 . 3.000 2.567 2.402 2.717 . 0 0 "[ . 1]" 1
123 1 185 VAL H 1 187 ALA H 4.200 . 4.500 4.274 4.060 4.493 . 0 0 "[ . 1]" 1
124 1 186 LEU H 1 187 ALA H 2.800 . 3.000 2.771 2.680 2.828 . 0 0 "[ . 1]" 1
125 1 187 ALA H 1 188 GLY H 2.800 . 3.000 2.620 2.566 2.647 . 0 0 "[ . 1]" 1
126 1 188 GLY H 1 189 VAL H 2.800 . 3.000 2.695 2.618 2.796 . 0 0 "[ . 1]" 1
127 1 189 VAL H 1 190 VAL H 2.800 . 3.000 2.766 2.730 2.824 . 0 0 "[ . 1]" 1
128 1 189 VAL H 1 191 LEU H 4.200 . 4.500 4.120 3.898 4.335 . 0 0 "[ . 1]" 1
129 1 190 VAL H 1 191 LEU H 2.800 . 3.000 2.709 2.639 2.773 . 0 0 "[ . 1]" 1
130 1 192 VAL H 1 193 LEU H 2.800 . 3.000 2.614 2.538 2.665 . 0 0 "[ . 1]" 1
131 1 193 LEU H 1 194 VAL H 4.200 . 4.500 2.791 2.691 2.890 . 0 0 "[ . 1]" 1
132 1 193 LEU H 1 195 GLY H 4.200 . 4.500 4.069 3.904 4.227 . 0 0 "[ . 1]" 1
133 1 194 VAL H 1 195 GLY H 4.200 . 4.500 2.638 2.544 2.705 . 0 0 "[ . 1]" 1
134 1 194 VAL H 1 196 VAL H 4.200 . 4.500 4.317 4.167 4.455 . 0 0 "[ . 1]" 1
135 1 195 GLY H 1 196 VAL H 2.800 . 3.000 2.773 2.710 2.857 . 0 0 "[ . 1]" 1
136 1 196 VAL H 1 197 LEU H 2.800 . 3.000 2.549 2.484 2.629 . 0 0 "[ . 1]" 1
137 1 197 LEU H 1 198 LEU H 2.800 . 3.000 2.621 2.496 2.691 . 0 0 "[ . 1]" 1
138 1 200 THR H 1 201 GLY H 4.200 . 5.000 2.392 2.326 2.485 . 0 0 "[ . 1]" 1
139 1 206 LEU H 1 207 ASN H 4.200 . 4.500 2.520 2.377 2.786 . 0 0 "[ . 1]" 1
140 1 207 ASN H 1 209 PHE H 4.200 . 4.500 4.041 3.802 4.232 . 0 0 "[ . 1]" 1
141 1 211 LEU H 1 212 ARG H 2.800 . 3.000 2.542 2.338 2.727 . 0 0 "[ . 1]" 1
142 1 211 LEU H 1 213 ILE H 4.200 . 5.000 3.940 3.780 4.075 . 0 0 "[ . 1]" 1
143 1 212 ARG H 1 213 ILE H 2.800 . 3.000 2.318 2.211 2.452 . 0 0 "[ . 1]" 1
144 1 212 ARG H 1 214 THR H 4.200 . 4.500 3.946 3.667 4.162 . 0 0 "[ . 1]" 1
145 1 213 ILE H 1 214 THR H 2.800 . 3.000 2.219 2.038 2.361 . 0 0 "[ . 1]" 1
146 1 218 LEU H 1 219 GLN H 2.800 . 3.000 2.297 2.229 2.409 . 0 0 "[ . 1]" 1
147 1 218 LEU H 1 220 ARG H 4.200 . 4.500 3.799 3.634 3.953 . 0 0 "[ . 1]" 1
148 1 219 GLN H 1 220 ARG H 2.800 . 3.000 2.445 2.292 2.571 . 0 0 "[ . 1]" 1
149 1 219 GLN H 1 221 TYR H 4.200 . 4.500 3.852 3.672 3.965 . 0 0 "[ . 1]" 1
150 1 220 ARG H 1 221 TYR H 2.800 . 3.000 2.485 2.352 2.562 . 0 0 "[ . 1]" 1
151 1 221 TYR H 1 222 LEU H 2.800 . 3.000 2.382 2.239 2.596 . 0 0 "[ . 1]" 1
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