NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
526387 |
2l73   |
17343 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l73
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 459
_Distance_constraint_stats_list.Viol_count 659
_Distance_constraint_stats_list.Viol_total 1885.898
_Distance_constraint_stats_list.Viol_max 0.957
_Distance_constraint_stats_list.Viol_rms 0.0846
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0210
_Distance_constraint_stats_list.Viol_average_violations_only 0.2044
_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 13 VAL 3.395 0.364 4 0 "[ . 1 ]"
1 14 SER 0.209 0.120 8 0 "[ . 1 ]"
1 15 VAL 3.688 0.263 8 0 "[ . 1 ]"
1 16 GLN 3.385 0.364 4 0 "[ . 1 ]"
1 17 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 18 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 19 ALA 0.707 0.207 14 0 "[ . 1 ]"
1 20 LEU 3.425 0.426 1 0 "[ . 1 ]"
1 21 VAL 11.136 0.703 10 3 "[ . +* -]"
1 22 GLN 2.074 0.318 2 0 "[ . 1 ]"
1 23 ILE 3.091 0.388 1 0 "[ . 1 ]"
1 24 LYS 0.054 0.054 7 0 "[ . 1 ]"
1 25 ARG 2.616 0.498 13 0 "[ . 1 ]"
1 26 LEU 4.697 0.498 13 0 "[ . 1 ]"
1 27 GLN 0.819 0.142 8 0 "[ . 1 ]"
1 28 THR 6.600 0.703 10 3 "[ . +* -]"
1 29 PHE 0.128 0.074 1 0 "[ . 1 ]"
1 30 ALA 0.934 0.207 14 0 "[ . 1 ]"
1 31 PHE 1.327 0.269 7 0 "[ . 1 ]"
1 32 SER 0.602 0.162 13 0 "[ . 1 ]"
1 33 VAL 3.647 0.296 1 0 "[ . 1 ]"
1 34 ARG 0.296 0.296 1 0 "[ . 1 ]"
1 35 TRP 0.000 0.000 . 0 "[ . 1 ]"
1 36 SER 0.000 0.000 . 0 "[ . 1 ]"
1 37 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 39 SER 0.000 0.000 . 0 "[ . 1 ]"
1 40 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 41 THR 0.284 0.156 1 0 "[ . 1 ]"
1 42 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 43 VAL 3.086 0.276 3 0 "[ . 1 ]"
1 44 ARG 0.134 0.105 10 0 "[ . 1 ]"
1 45 ARG 0.252 0.074 1 0 "[ . 1 ]"
1 46 SER 0.000 0.000 . 0 "[ . 1 ]"
1 47 TRP 0.000 0.000 . 0 "[ . 1 ]"
1 48 ASP 6.653 0.671 10 5 "[ * *. *+ - ]"
1 49 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 50 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 51 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 52 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 53 LEU 9.370 0.671 10 5 "[ * *. *+ - ]"
1 54 LYS 0.109 0.081 9 0 "[ . 1 ]"
1 55 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 56 THR 0.602 0.233 12 0 "[ . 1 ]"
1 57 LEU 3.280 0.386 9 0 "[ . 1 ]"
1 58 LYS 0.319 0.170 10 0 "[ . 1 ]"
1 59 GLU 0.030 0.030 12 0 "[ . 1 ]"
1 60 THR 0.000 0.000 . 0 "[ . 1 ]"
1 61 PHE 1.594 0.465 3 0 "[ . 1 ]"
1 63 VAL 6.055 0.741 3 1 "[ + . 1 ]"
1 64 GLU 2.408 0.741 3 1 "[ + . 1 ]"
1 65 ALA 1.975 0.414 6 0 "[ . 1 ]"
1 66 GLY 0.811 0.166 12 0 "[ . 1 ]"
1 67 LEU 4.450 0.380 3 0 "[ . 1 ]"
1 68 LEU 0.080 0.068 10 0 "[ . 1 ]"
1 69 ARG 0.651 0.352 12 0 "[ . 1 ]"
1 72 ASP 1.657 0.639 6 1 "[ .+ 1 ]"
1 73 ARG 0.361 0.195 1 0 "[ . 1 ]"
1 74 VAL 4.602 0.639 6 2 "[ .+ - ]"
1 75 LEU 8.443 0.583 6 1 "[ .+ 1 ]"
1 78 LEU 4.881 0.668 10 2 "[ . +- ]"
1 79 LEU 5.751 0.557 2 1 "[ + . 1 ]"
1 80 ASP 0.449 0.239 7 0 "[ . 1 ]"
1 81 ALA 1.347 0.557 2 1 "[ + . 1 ]"
1 83 LEU 0.062 0.038 6 0 "[ . 1 ]"
1 84 LEU 1.606 0.584 4 1 "[ +. 1 ]"
1 85 GLY 0.422 0.284 2 0 "[ . 1 ]"
1 86 ARG 0.728 0.584 4 1 "[ +. 1 ]"
1 87 VAL 0.935 0.284 2 0 "[ . 1 ]"
1 88 GLY 0.513 0.218 6 0 "[ . 1 ]"
1 92 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 93 GLY 1.785 0.301 10 0 "[ . 1 ]"
1 94 LEU 3.013 0.301 10 0 "[ . 1 ]"
1 95 ALA 0.507 0.130 10 0 "[ . 1 ]"
1 96 ARG 0.985 0.334 1 0 "[ . 1 ]"
1 97 LEU 5.893 0.827 3 3 "[ + . *1 - ]"
1 98 GLN 1.117 0.218 12 0 "[ . 1 ]"
1 99 LEU 2.396 0.668 10 1 "[ . + ]"
1 100 LEU 2.895 0.533 11 1 "[ . 1+ ]"
1 101 GLU 0.471 0.145 12 0 "[ . 1 ]"
1 102 THR 3.030 0.512 2 1 "[ + . 1 ]"
1 103 TYR 0.000 0.000 . 0 "[ . 1 ]"
1 104 SER 0.016 0.016 8 0 "[ . 1 ]"
1 106 ARG 1.184 0.263 8 0 "[ . 1 ]"
1 107 LEU 20.353 0.957 6 13 "[*****+-* *****]"
1 108 LEU 3.910 0.439 14 0 "[ . 1 ]"
1 109 ALA 0.420 0.146 11 0 "[ . 1 ]"
1 110 THR 0.352 0.114 12 0 "[ . 1 ]"
1 111 ALA 16.512 0.957 6 13 "[*****+-* *****]"
1 112 GLU 0.603 0.309 5 0 "[ . 1 ]"
1 113 ARG 0.072 0.043 10 0 "[ . 1 ]"
1 114 VAL 6.455 0.700 12 4 "[ * . *-+ ]"
1 115 ALA 2.953 0.330 1 0 "[ . 1 ]"
1 116 ARG 2.518 0.330 1 0 "[ . 1 ]"
1 117 SER 0.265 0.121 8 0 "[ . 1 ]"
1 119 THR 0.000 0.000 . 0 "[ . 1 ]"
1 120 ILE 0.694 0.121 8 0 "[ . 1 ]"
1 121 THR 0.020 0.020 14 0 "[ . 1 ]"
1 122 GLY 0.924 0.298 8 0 "[ . 1 ]"
1 123 PHE 0.020 0.020 14 0 "[ . 1 ]"
1 124 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 125 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 127 GLN 5.001 0.339 12 0 "[ . 1 ]"
1 129 LEU 4.520 0.339 12 0 "[ . 1 ]"
1 130 ASP 0.118 0.094 12 0 "[ . 1 ]"
1 131 LEU 0.212 0.094 12 0 "[ . 1 ]"
1 132 GLU 0.029 0.029 8 0 "[ . 1 ]"
1 134 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 135 LEU 0.146 0.106 12 0 "[ . 1 ]"
1 140 ARG 6.542 0.692 9 6 "[* * . *-+1 *]"
1 141 VAL 11.136 0.692 9 6 "[* * . *-+1 *]"
1 142 ILE 8.861 0.634 9 8 "[ * *. **+-* * ]"
1 143 LEU 1.164 0.367 10 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 1 143 LEU H 1 143 LEU MD1 . . 5.000 2.494 1.785 3.589 0.015 4 0 "[ . 1 ]" 1
2 1 57 LEU MD1 1 57 LEU MD2 3.000 . 3.000 2.045 2.006 2.084 . 0 0 "[ . 1 ]" 1
3 1 20 LEU MD1 1 20 LEU MD2 3.000 . 3.000 1.987 1.801 2.087 . 0 0 "[ . 1 ]" 1
4 1 20 LEU MD2 1 97 LEU MD2 5.000 . 5.000 3.331 1.967 5.059 0.059 1 0 "[ . 1 ]" 1
5 1 94 LEU MD1 1 94 LEU MD2 3.000 . 3.000 2.026 1.955 2.053 . 0 0 "[ . 1 ]" 1
6 1 13 VAL MG1 1 36 SER H 7.000 . 7.000 2.296 2.044 2.872 . 0 0 "[ . 1 ]" 1
7 1 33 VAL MG1 1 33 VAL MG2 3.000 . 3.000 2.055 1.962 2.095 . 0 0 "[ . 1 ]" 1
8 1 33 VAL MG1 1 43 VAL MG2 3.000 . 3.000 2.785 2.570 3.063 0.063 2 0 "[ . 1 ]" 1
9 1 20 LEU MD1 1 142 ILE MD 3.000 . 3.000 2.232 1.816 3.426 0.426 1 0 "[ . 1 ]" 1
10 1 53 LEU MD2 1 57 LEU MD1 . . 3.000 2.615 1.775 3.265 0.265 12 0 "[ . 1 ]" 1
11 1 75 LEU MD2 1 114 VAL MG1 3.000 . 3.000 2.097 1.753 2.994 0.047 6 0 "[ . 1 ]" 1
12 1 75 LEU MD2 1 114 VAL MG2 3.000 . 3.000 1.983 1.763 2.281 0.037 9 0 "[ . 1 ]" 1
13 1 78 LEU MD2 1 100 LEU MD2 4.000 . 4.000 3.041 1.697 4.533 0.533 11 1 "[ . 1+ ]" 1
14 1 78 LEU MD2 1 100 LEU MD1 5.000 . 5.000 4.500 2.359 5.305 0.305 7 0 "[ . 1 ]" 1
15 1 20 LEU MD2 1 27 GLN HE21 7.000 . 7.000 4.469 1.760 6.832 0.040 8 0 "[ . 1 ]" 1
16 1 99 LEU MD1 1 100 LEU H 7.000 . 7.000 4.147 3.820 4.325 . 0 0 "[ . 1 ]" 1
17 1 134 ALA H 1 135 LEU MD2 7.000 . 7.000 6.179 4.164 6.999 . 0 0 "[ . 1 ]" 1
18 1 74 VAL MG1 1 112 GLU H 7.000 . 7.000 5.938 4.580 7.309 0.309 5 0 "[ . 1 ]" 1
19 1 20 LEU H 1 21 VAL MG1 7.000 . 7.000 5.828 5.584 6.138 . 0 0 "[ . 1 ]" 1
20 1 63 VAL MG2 1 65 ALA H 7.000 . 7.000 5.649 4.858 6.223 . 0 0 "[ . 1 ]" 1
21 1 114 VAL MG1 1 116 ARG H . . 5.000 4.652 4.452 4.960 . 0 0 "[ . 1 ]" 1
22 1 13 VAL MG2 1 37 ASP H 7.000 . 7.000 5.846 5.483 6.180 . 0 0 "[ . 1 ]" 1
23 1 74 VAL MG2 1 112 GLU H 7.000 . 7.000 5.497 4.508 6.628 . 0 0 "[ . 1 ]" 1
24 1 114 VAL H 1 120 ILE MD 7.000 . 7.000 5.974 5.698 6.374 . 0 0 "[ . 1 ]" 1
25 1 20 LEU MD1 1 27 GLN HE21 7.000 . 7.000 4.458 1.775 6.893 0.025 8 0 "[ . 1 ]" 1
26 1 81 ALA H 1 99 LEU MD1 7.000 . 7.000 2.234 1.752 2.779 0.048 1 0 "[ . 1 ]" 1
27 1 79 LEU MD1 1 81 ALA H . . 5.000 4.131 3.047 5.557 0.557 2 1 "[ + . 1 ]" 1
28 1 65 ALA H 1 75 LEU MD1 7.000 . 7.000 6.769 6.116 7.414 0.414 6 0 "[ . 1 ]" 1
29 1 61 PHE H 1 75 LEU MD1 7.000 . 7.000 5.242 2.872 6.594 . 0 0 "[ . 1 ]" 1
30 1 75 LEU MD1 1 75 LEU MD2 3.000 . 3.000 1.988 1.885 2.070 . 0 0 "[ . 1 ]" 1
31 1 75 LEU MD1 1 107 LEU MD2 5.000 . 5.000 3.480 2.779 4.575 . 0 0 "[ . 1 ]" 1
32 1 75 LEU MD1 1 114 VAL MG1 5.000 . 5.000 3.735 2.882 4.730 . 0 0 "[ . 1 ]" 1
33 1 75 LEU MD1 1 114 VAL MG2 5.000 . 5.000 3.283 1.820 4.455 . 0 0 "[ . 1 ]" 1
34 1 30 ALA H 1 97 LEU MD1 7.000 . 7.000 4.168 2.967 5.147 . 0 0 "[ . 1 ]" 1
35 1 19 ALA H 1 97 LEU MD1 7.000 . 7.000 4.452 3.239 5.864 . 0 0 "[ . 1 ]" 1
36 1 131 LEU MD1 1 132 GLU H 7.000 . 7.000 5.252 4.641 5.467 . 0 0 "[ . 1 ]" 1
37 1 99 LEU H 1 100 LEU MD1 7.000 . 7.000 5.205 3.898 5.617 . 0 0 "[ . 1 ]" 1
38 1 78 LEU MD1 1 100 LEU MD1 5.000 . 5.000 4.132 1.864 5.478 0.478 4 0 "[ . 1 ]" 1
39 1 23 ILE H 1 26 LEU MD1 7.000 . 7.000 5.957 4.362 7.227 0.227 1 0 "[ . 1 ]" 1
40 1 79 LEU MD2 1 81 ALA H 7.000 . 7.000 5.435 2.647 6.602 . 0 0 "[ . 1 ]" 1
41 1 129 LEU MD1 1 132 GLU H 7.000 . 7.000 6.186 4.973 6.700 . 0 0 "[ . 1 ]" 1
42 1 67 LEU MD1 1 69 ARG H 7.000 . 7.000 6.131 5.187 6.697 . 0 0 "[ . 1 ]" 1
43 1 94 LEU MD1 1 98 GLN HE22 . . 5.000 4.819 4.095 5.218 0.218 12 0 "[ . 1 ]" 1
44 1 20 LEU MD2 1 142 ILE H 7.000 . 7.000 4.793 4.545 5.394 . 0 0 "[ . 1 ]" 1
45 1 20 LEU MD2 1 21 VAL H 5.000 . 5.000 2.194 1.708 4.214 0.092 11 0 "[ . 1 ]" 1
46 1 20 LEU MD2 1 23 ILE H 7.000 . 7.000 6.171 5.349 7.220 0.220 6 0 "[ . 1 ]" 1
47 1 107 LEU H 1 107 LEU MD1 5.000 . 5.000 3.604 3.498 3.983 . 0 0 "[ . 1 ]" 1
48 1 107 LEU MD1 1 108 LEU H 7.000 . 7.000 4.711 4.531 5.059 . 0 0 "[ . 1 ]" 1
49 1 75 LEU MD2 1 107 LEU MD1 3.000 . 3.000 3.295 3.187 3.406 0.406 12 0 "[ . 1 ]" 1
50 1 107 LEU H 1 108 LEU MD1 7.000 . 7.000 5.504 4.904 5.929 . 0 0 "[ . 1 ]" 1
51 1 15 VAL MG1 1 108 LEU MD1 . . 5.000 4.261 3.715 4.717 . 0 0 "[ . 1 ]" 1
52 1 78 LEU MD1 1 79 LEU H 7.000 . 7.000 4.253 1.951 4.965 . 0 0 "[ . 1 ]" 1
53 1 142 ILE H 1 143 LEU MD2 7.000 . 7.000 5.685 4.148 7.118 0.118 7 0 "[ . 1 ]" 1
54 1 20 LEU H 1 143 LEU MD2 7.000 . 7.000 5.484 4.198 7.367 0.367 10 0 "[ . 1 ]" 1
55 1 97 LEU H 1 99 LEU MD2 7.000 . 7.000 6.348 5.123 6.933 . 0 0 "[ . 1 ]" 1
56 1 79 LEU H 1 99 LEU MD2 5.000 . 5.000 4.305 1.979 5.363 0.363 9 0 "[ . 1 ]" 1
57 1 97 LEU MD2 1 100 LEU H 7.000 . 7.000 5.519 4.996 6.473 . 0 0 "[ . 1 ]" 1
58 1 83 LEU MD2 1 84 LEU H 7.000 . 7.000 4.992 4.327 5.625 . 0 0 "[ . 1 ]" 1
59 1 68 LEU H 1 68 LEU MD2 5.000 . 5.000 3.455 1.870 4.371 . 0 0 "[ . 1 ]" 1
60 1 84 LEU MD2 1 96 ARG H 7.000 . 7.000 5.907 3.794 7.334 0.334 1 0 "[ . 1 ]" 1
61 1 75 LEU MD2 1 107 LEU MD2 3.000 . 3.000 1.909 1.762 2.352 0.038 3 0 "[ . 1 ]" 1
62 1 53 LEU MD2 1 57 LEU H 7.000 . 7.000 4.401 3.438 5.093 . 0 0 "[ . 1 ]" 1
63 1 107 LEU MD2 1 108 LEU H 7.000 . 7.000 4.685 4.508 4.809 . 0 0 "[ . 1 ]" 1
64 1 53 LEU MD1 1 53 LEU MD2 3.000 . 3.000 1.953 1.823 2.036 . 0 0 "[ . 1 ]" 1
65 1 53 LEU MD1 1 57 LEU MD2 5.000 . 5.000 4.475 3.530 5.225 0.225 1 0 "[ . 1 ]" 1
66 1 53 LEU MD1 1 57 LEU MD1 5.000 . 5.000 3.639 2.023 4.950 . 0 0 "[ . 1 ]" 1
67 1 43 VAL MG1 1 127 GLN H 7.000 . 7.000 4.415 4.007 5.153 . 0 0 "[ . 1 ]" 1
68 1 31 PHE H 1 43 VAL MG1 7.000 . 7.000 5.028 4.775 5.302 . 0 0 "[ . 1 ]" 1
69 1 74 VAL MG1 1 111 ALA H 7.000 . 7.000 5.802 4.488 7.300 0.300 14 0 "[ . 1 ]" 1
70 1 33 VAL MG1 1 35 TRP HE1 7.000 . 7.000 3.483 3.015 4.645 . 0 0 "[ . 1 ]" 1
71 1 141 VAL MG2 1 142 ILE H 5.000 . 5.000 4.288 4.233 4.390 . 0 0 "[ . 1 ]" 1
72 1 15 VAL MG1 1 41 THR H 7.000 . 7.000 6.746 5.984 7.156 0.156 1 0 "[ . 1 ]" 1
73 1 15 VAL MG1 1 33 VAL H 7.000 . 7.000 4.405 3.733 4.830 . 0 0 "[ . 1 ]" 1
74 1 33 VAL MG1 1 43 VAL H . . 5.000 4.021 3.780 4.312 . 0 0 "[ . 1 ]" 1
75 1 13 VAL MG1 1 35 TRP H 7.000 . 7.000 4.498 3.657 5.488 . 0 0 "[ . 1 ]" 1
76 1 23 ILE H 1 141 VAL MG2 7.000 . 7.000 6.808 6.364 7.158 0.158 12 0 "[ . 1 ]" 1
77 1 130 ASP H 1 131 LEU MD2 7.000 . 7.000 4.573 4.279 5.155 . 0 0 "[ . 1 ]" 1
78 1 15 VAL MG1 1 104 SER H 7.000 . 7.000 5.096 4.510 5.696 . 0 0 "[ . 1 ]" 1
79 1 14 SER H 1 15 VAL MG1 7.000 . 7.000 6.047 5.844 6.154 . 0 0 "[ . 1 ]" 1
80 1 13 VAL MG1 1 13 VAL MG2 3.000 . 3.000 2.000 1.941 2.072 . 0 0 "[ . 1 ]" 1
81 1 15 VAL MG2 1 33 VAL MG1 3.000 . 3.000 2.950 1.844 3.249 0.249 10 0 "[ . 1 ]" 1
82 1 15 VAL MG1 1 15 VAL MG2 3.000 . 3.000 2.008 1.837 2.076 . 0 0 "[ . 1 ]" 1
83 1 13 VAL MG1 1 33 VAL MG2 7.000 . 7.000 5.111 4.812 5.467 . 0 0 "[ . 1 ]" 1
84 1 13 VAL MG1 1 15 VAL MG2 7.000 . 7.000 6.078 5.553 6.437 . 0 0 "[ . 1 ]" 1
85 1 15 VAL MG1 1 100 LEU MD1 7.000 . 7.000 6.477 6.061 6.907 . 0 0 "[ . 1 ]" 1
86 1 15 VAL MG1 1 33 VAL MG2 5.000 . 5.000 3.745 3.385 4.439 . 0 0 "[ . 1 ]" 1
87 1 13 VAL H 1 108 LEU MD2 7.000 . 7.000 4.966 3.731 6.741 . 0 0 "[ . 1 ]" 1
88 1 15 VAL MG2 1 33 VAL H 7.000 . 7.000 4.644 4.334 4.832 . 0 0 "[ . 1 ]" 1
89 1 53 LEU MD2 1 122 GLY H 7.000 . 7.000 6.528 5.742 7.298 0.298 8 0 "[ . 1 ]" 1
90 1 107 LEU H 1 108 LEU MD2 7.000 . 7.000 5.338 4.645 5.619 . 0 0 "[ . 1 ]" 1
91 1 15 VAL H 1 108 LEU MD2 7.000 . 7.000 5.590 5.195 6.326 . 0 0 "[ . 1 ]" 1
92 1 15 VAL MG2 1 104 SER H 7.000 . 7.000 5.819 4.826 7.016 0.016 8 0 "[ . 1 ]" 1
93 1 15 VAL MG2 1 106 ARG H 7.000 . 7.000 6.645 5.614 7.263 0.263 8 0 "[ . 1 ]" 1
94 1 53 LEU MD2 1 58 LYS H 7.000 . 7.000 6.258 5.168 7.170 0.170 10 0 "[ . 1 ]" 1
95 1 53 LEU MD2 1 123 PHE H 7.000 . 7.000 4.496 3.634 5.582 . 0 0 "[ . 1 ]" 1
96 1 53 LEU MD2 1 57 LEU MD2 5.000 . 5.000 3.637 2.062 4.671 . 0 0 "[ . 1 ]" 1
97 1 108 LEU MD1 1 108 LEU MD2 3.000 . 3.000 1.988 1.859 2.063 . 0 0 "[ . 1 ]" 1
98 1 15 VAL MG2 1 33 VAL MG2 3.000 . 3.000 2.181 1.820 3.173 0.173 1 0 "[ . 1 ]" 1
99 1 78 LEU MD2 1 99 LEU MD1 5.000 . 5.000 4.371 2.889 5.668 0.668 10 1 "[ . + ]" 1
100 1 78 LEU MD1 1 78 LEU MD2 3.000 . 3.000 2.017 1.915 2.086 . 0 0 "[ . 1 ]" 1
101 1 86 ARG H 1 87 VAL MG2 7.000 . 7.000 4.422 3.439 5.865 . 0 0 "[ . 1 ]" 1
102 1 87 VAL MG2 1 88 GLY H 7.000 . 7.000 3.614 3.138 4.285 . 0 0 "[ . 1 ]" 1
103 1 63 VAL MG1 1 63 VAL MG2 3.000 . 3.000 2.030 1.946 2.116 . 0 0 "[ . 1 ]" 1
104 1 100 LEU MD2 1 101 GLU H 7.000 . 7.000 4.673 4.163 4.903 . 0 0 "[ . 1 ]" 1
105 1 100 LEU MD2 1 103 TYR H 7.000 . 7.000 4.999 4.458 6.330 . 0 0 "[ . 1 ]" 1
106 1 100 LEU MD2 1 104 SER H 7.000 . 7.000 4.981 4.205 6.292 . 0 0 "[ . 1 ]" 1
107 1 100 LEU MD1 1 100 LEU MD2 3.000 . 3.000 1.992 1.796 2.062 0.004 1 0 "[ . 1 ]" 1
108 1 78 LEU MD1 1 100 LEU MD2 5.000 . 5.000 2.666 1.786 4.197 0.014 2 0 "[ . 1 ]" 1
109 1 74 VAL MG2 1 111 ALA H . . 5.000 5.017 4.198 5.527 0.527 10 1 "[ . + ]" 1
110 1 13 VAL MG2 1 15 VAL H 7.000 . 7.000 5.115 4.990 5.279 . 0 0 "[ . 1 ]" 1
111 1 13 VAL MG2 1 38 GLY H 7.000 . 7.000 5.178 4.849 5.565 . 0 0 "[ . 1 ]" 1
112 1 13 VAL MG2 1 108 LEU MD1 7.000 . 7.000 4.302 3.612 5.922 . 0 0 "[ . 1 ]" 1
113 1 13 VAL MG2 1 33 VAL MG2 7.000 . 7.000 4.413 4.113 5.063 . 0 0 "[ . 1 ]" 1
114 1 32 SER H 1 33 VAL MG2 7.000 . 7.000 5.709 5.470 5.954 . 0 0 "[ . 1 ]" 1
115 1 16 GLN H 1 33 VAL MG2 7.000 . 7.000 5.270 4.895 5.781 . 0 0 "[ . 1 ]" 1
116 1 107 LEU MD2 1 114 VAL MG2 5.000 . 5.000 3.383 2.656 4.195 . 0 0 "[ . 1 ]" 1
117 1 114 VAL MG1 1 114 VAL MG2 3.000 . 3.000 1.974 1.858 2.072 . 0 0 "[ . 1 ]" 1
118 1 31 PHE H 1 43 VAL MG2 5.000 . 5.000 3.064 2.865 3.352 . 0 0 "[ . 1 ]" 1
119 1 33 VAL H 1 43 VAL MG2 7.000 . 7.000 4.339 3.627 4.765 . 0 0 "[ . 1 ]" 1
120 1 21 VAL H 1 23 ILE MD 7.000 . 7.000 5.092 4.486 5.960 . 0 0 "[ . 1 ]" 1
121 1 22 GLN H 1 142 ILE MD 7.000 . 7.000 5.150 4.356 5.734 . 0 0 "[ . 1 ]" 1
122 1 20 LEU H 1 142 ILE MD 5.000 . 5.000 4.642 3.789 5.207 0.207 14 0 "[ . 1 ]" 1
123 1 21 VAL H 1 142 ILE MD 7.000 . 7.000 5.361 4.540 5.996 . 0 0 "[ . 1 ]" 1
124 1 57 LEU H 1 120 ILE MD 7.000 . 7.000 6.379 5.842 7.103 0.103 2 0 "[ . 1 ]" 1
125 1 120 ILE MD 1 121 THR H 7.000 . 7.000 4.486 4.301 4.559 . 0 0 "[ . 1 ]" 1
126 1 120 ILE MD 1 122 GLY H 7.000 . 7.000 5.608 5.409 5.855 . 0 0 "[ . 1 ]" 1
127 1 107 LEU H 1 120 ILE MD 7.000 . 7.000 6.104 5.524 6.856 . 0 0 "[ . 1 ]" 1
128 1 117 SER H 1 120 ILE MD . . 5.000 4.668 4.295 5.121 0.121 8 0 "[ . 1 ]" 1
129 1 114 VAL MG1 1 120 ILE MD 3.000 . 3.000 2.454 2.154 2.755 . 0 0 "[ . 1 ]" 1
130 1 114 VAL MG2 1 120 ILE MD 5.000 . 5.000 4.773 4.562 5.009 0.009 10 0 "[ . 1 ]" 1
131 1 22 GLN HE22 1 23 ILE MD 7.000 . 7.000 6.902 5.559 7.318 0.318 2 0 "[ . 1 ]" 1
132 1 78 LEU MD2 1 99 LEU MD2 5.000 . 5.000 4.136 2.285 5.283 0.283 5 0 "[ . 1 ]" 1
133 1 85 GLY H 1 87 VAL MG2 7.000 . 7.000 5.630 4.016 7.284 0.284 2 0 "[ . 1 ]" 1
134 1 21 VAL MG2 1 22 GLN H 5.000 . 5.000 4.238 3.962 4.389 . 0 0 "[ . 1 ]" 1
135 1 35 TRP HE1 1 41 THR H 5.000 . 5.000 3.842 3.497 4.563 . 0 0 "[ . 1 ]" 1
136 1 33 VAL H 1 41 THR H 5.000 . 5.000 2.885 2.638 3.081 . 0 0 "[ . 1 ]" 1
137 1 33 VAL MG2 1 41 THR H 5.000 . 5.000 4.424 3.751 4.882 . 0 0 "[ . 1 ]" 1
138 1 35 TRP H 1 39 SER H 5.000 . 5.000 3.733 3.157 4.146 . 0 0 "[ . 1 ]" 1
139 1 56 THR H 1 57 LEU H 3.000 . 3.000 2.978 2.760 3.233 0.233 12 0 "[ . 1 ]" 1
140 1 57 LEU H 1 57 LEU MD2 5.000 . 5.000 3.748 3.451 4.014 . 0 0 "[ . 1 ]" 1
141 1 31 PHE H 1 33 VAL MG1 5.000 . 5.000 5.064 4.765 5.269 0.269 7 0 "[ . 1 ]" 1
142 1 36 SER H 1 38 GLY H 5.000 . 5.000 4.059 3.904 4.200 . 0 0 "[ . 1 ]" 1
143 1 13 VAL MG2 1 36 SER H 5.000 . 5.000 4.054 3.549 4.628 . 0 0 "[ . 1 ]" 1
144 1 32 SER H 1 33 VAL H 5.000 . 5.000 4.067 3.958 4.142 . 0 0 "[ . 1 ]" 1
145 1 32 SER H 1 33 VAL MG1 5.000 . 5.000 4.023 3.272 4.326 . 0 0 "[ . 1 ]" 1
146 1 18 ALA H 1 32 SER H 5.000 . 5.000 3.431 2.943 3.715 . 0 0 "[ . 1 ]" 1
147 1 31 PHE H 1 33 VAL H 7.000 . 7.000 6.253 6.038 6.470 . 0 0 "[ . 1 ]" 1
148 1 23 ILE H 1 140 ARG H 7.000 . 7.000 4.698 4.350 5.104 . 0 0 "[ . 1 ]" 1
149 1 21 VAL H 1 30 ALA H 5.000 . 5.000 4.360 3.720 5.173 0.173 13 0 "[ . 1 ]" 1
150 1 100 LEU H 1 101 GLU H 3.000 . 3.000 2.982 2.912 3.109 0.109 1 0 "[ . 1 ]" 1
151 1 101 GLU H 1 102 THR H 3.000 . 3.000 2.952 2.682 3.052 0.052 1 0 "[ . 1 ]" 1
152 1 101 GLU H 1 103 TYR H 5.000 . 5.000 4.334 4.172 4.447 . 0 0 "[ . 1 ]" 1
153 1 22 GLN H 1 140 ARG H 3.000 . 3.000 2.461 2.044 2.715 . 0 0 "[ . 1 ]" 1
154 1 140 ARG H 1 141 VAL MG1 5.000 . 5.000 5.467 5.177 5.692 0.692 9 6 "[* * . *-+1 *]" 1
155 1 26 LEU MD2 1 27 GLN H 5.000 . 5.000 3.948 2.764 5.142 0.142 8 0 "[ . 1 ]" 1
156 1 42 PHE H 1 43 VAL MG1 5.000 . 5.000 3.348 3.037 3.549 . 0 0 "[ . 1 ]" 1
157 1 64 GLU H 1 65 ALA H 5.000 . 5.000 3.680 2.872 4.201 . 0 0 "[ . 1 ]" 1
158 1 55 LYS H 1 56 THR H 3.000 . 3.000 2.759 2.452 2.840 . 0 0 "[ . 1 ]" 1
159 1 47 TRP H 1 48 ASP H 3.000 . 3.000 2.353 2.209 2.498 . 0 0 "[ . 1 ]" 1
160 1 48 ASP H 1 50 PHE H 5.000 . 5.000 3.932 3.539 4.493 . 0 0 "[ . 1 ]" 1
161 1 20 LEU MD2 1 28 THR H 5.000 . 5.000 3.749 3.118 5.192 0.192 1 0 "[ . 1 ]" 1
162 1 14 SER H 1 34 ARG H 5.000 . 5.000 2.915 2.515 3.269 . 0 0 "[ . 1 ]" 1
163 1 142 ILE MD 1 143 LEU H 7.000 . 7.000 5.254 5.069 5.512 . 0 0 "[ . 1 ]" 1
164 1 33 VAL MG1 1 34 ARG H 5.000 . 5.000 4.327 4.158 4.557 . 0 0 "[ . 1 ]" 1
165 1 13 VAL MG1 1 34 ARG H 7.000 . 7.000 5.152 4.568 5.764 . 0 0 "[ . 1 ]" 1
166 1 140 ARG H 1 141 VAL H 7.000 . 7.000 4.204 4.113 4.445 . 0 0 "[ . 1 ]" 1
167 1 83 LEU H 1 84 LEU H 5.000 . 5.000 4.028 2.976 4.605 . 0 0 "[ . 1 ]" 1
168 1 83 LEU MD1 1 84 LEU H 5.000 . 5.000 4.210 3.423 4.824 . 0 0 "[ . 1 ]" 1
169 1 25 ARG H 1 26 LEU H 3.000 . 3.000 2.855 1.302 3.339 0.498 13 0 "[ . 1 ]" 1
170 1 135 LEU H 1 135 LEU MD1 3.000 . 3.000 2.384 1.929 3.106 0.106 12 0 "[ . 1 ]" 1
171 1 46 SER H 1 49 GLU H 7.000 . 7.000 3.866 3.480 4.463 . 0 0 "[ . 1 ]" 1
172 1 48 ASP H 1 49 GLU H 5.000 . 5.000 2.373 2.102 2.676 . 0 0 "[ . 1 ]" 1
173 1 60 THR H 1 61 PHE H 3.000 . 3.000 2.571 2.340 2.765 . 0 0 "[ . 1 ]" 1
174 1 50 PHE H 1 51 ARG H 3.000 . 3.000 2.584 2.356 2.855 . 0 0 "[ . 1 ]" 1
175 1 61 PHE H 1 63 VAL MG2 5.000 . 5.000 5.077 4.706 5.465 0.465 3 0 "[ . 1 ]" 1
176 1 67 LEU H 1 68 LEU H 3.000 . 3.000 2.631 2.415 3.068 0.068 10 0 "[ . 1 ]" 1
177 1 68 LEU H 1 69 ARG H 5.000 . 5.000 2.585 2.110 2.936 . 0 0 "[ . 1 ]" 1
178 1 67 LEU MD2 1 68 LEU H 5.000 . 5.000 4.610 4.481 4.694 . 0 0 "[ . 1 ]" 1
179 1 80 ASP H 1 81 ALA H 5.000 . 5.000 4.199 3.943 4.588 . 0 0 "[ . 1 ]" 1
180 1 39 SER H 1 40 ASP H 7.000 . 7.000 4.594 4.437 4.673 . 0 0 "[ . 1 ]" 1
181 1 127 GLN H 1 130 ASP H 5.000 . 5.000 2.824 2.528 3.659 . 0 0 "[ . 1 ]" 1
182 1 67 LEU H 1 67 LEU MD1 . . 3.000 3.111 2.141 3.380 0.380 3 0 "[ . 1 ]" 1
183 1 100 LEU H 1 102 THR H 5.000 . 5.000 4.352 3.970 4.479 . 0 0 "[ . 1 ]" 1
184 1 102 THR H 1 103 TYR H 3.000 . 3.000 2.743 1.848 2.968 . 0 0 "[ . 1 ]" 1
185 1 66 GLY H 1 67 LEU H 3.000 . 3.000 2.592 2.079 2.896 . 0 0 "[ . 1 ]" 1
186 1 112 GLU H 1 113 ARG H 5.000 . 5.000 2.346 2.135 3.286 . 0 0 "[ . 1 ]" 1
187 1 113 ARG H 1 115 ALA H 5.000 . 5.000 4.135 3.636 4.478 . 0 0 "[ . 1 ]" 1
188 1 87 VAL MG1 1 88 GLY H 3.000 . 3.000 2.434 1.761 3.218 0.218 6 0 "[ . 1 ]" 1
189 1 35 TRP H 1 38 GLY H 5.000 . 5.000 4.334 4.235 4.559 . 0 0 "[ . 1 ]" 1
190 1 38 GLY H 1 39 SER H 3.000 . 3.000 2.553 2.453 2.721 . 0 0 "[ . 1 ]" 1
191 1 27 GLN HE22 1 93 GLY H 7.000 . 7.000 5.101 2.985 7.031 0.031 12 0 "[ . 1 ]" 1
192 1 121 THR H 1 122 GLY H 5.000 . 5.000 3.019 2.765 3.131 . 0 0 "[ . 1 ]" 1
193 1 122 GLY H 1 123 PHE H 3.000 . 3.000 2.898 2.738 2.967 . 0 0 "[ . 1 ]" 1
194 1 115 ALA H 1 117 SER H 5.000 . 5.000 4.187 2.986 4.601 . 0 0 "[ . 1 ]" 1
195 1 55 LYS H 1 57 LEU H 5.000 . 5.000 4.256 3.953 4.609 . 0 0 "[ . 1 ]" 1
196 1 49 GLU H 1 50 PHE H 3.000 . 3.000 2.619 2.426 2.888 . 0 0 "[ . 1 ]" 1
197 1 50 PHE H 1 52 GLN H 5.000 . 5.000 4.031 3.642 4.284 . 0 0 "[ . 1 ]" 1
198 1 15 VAL H 1 108 LEU MD1 7.000 . 7.000 3.134 2.731 3.777 . 0 0 "[ . 1 ]" 1
199 1 36 SER H 1 37 ASP H 3.000 . 3.000 2.859 2.812 2.903 . 0 0 "[ . 1 ]" 1
200 1 107 LEU H 1 111 ALA H 5.000 . 5.000 5.726 5.379 5.957 0.957 6 13 "[*****+-* *****]" 1
201 1 37 ASP H 1 38 GLY H 3.000 . 3.000 2.624 2.475 2.754 . 0 0 "[ . 1 ]" 1
202 1 37 ASP H 1 39 SER H 5.000 . 5.000 3.876 3.628 4.136 . 0 0 "[ . 1 ]" 1
203 1 56 THR H 1 58 LYS H 5.000 . 5.000 4.340 4.165 4.528 . 0 0 "[ . 1 ]" 1
204 1 58 LYS H 1 61 PHE H 5.000 . 5.000 4.471 4.042 4.761 . 0 0 "[ . 1 ]" 1
205 1 58 LYS H 1 60 THR H 5.000 . 5.000 4.229 3.985 4.543 . 0 0 "[ . 1 ]" 1
206 1 130 ASP H 1 131 LEU H 3.000 . 3.000 2.003 1.706 2.715 0.094 12 0 "[ . 1 ]" 1
207 1 58 LYS H 1 59 GLU H 3.000 . 3.000 2.891 2.744 3.030 0.030 12 0 "[ . 1 ]" 1
208 1 116 ARG H 1 117 SER H 3.000 . 3.000 1.991 1.824 2.174 . 0 0 "[ . 1 ]" 1
209 1 14 SER H 1 108 LEU MD1 5.000 . 5.000 3.407 2.469 5.120 0.120 8 0 "[ . 1 ]" 1
210 1 19 ALA H 1 97 LEU MD2 5.000 . 5.000 3.469 2.526 4.570 . 0 0 "[ . 1 ]" 1
211 1 119 THR H 1 120 ILE H 5.000 . 5.000 2.754 2.555 2.847 . 0 0 "[ . 1 ]" 1
212 1 98 GLN H 1 101 GLU H 5.000 . 5.000 4.787 4.569 5.145 0.145 12 0 "[ . 1 ]" 1
213 1 98 GLN H 1 99 LEU H 3.000 . 3.000 2.818 2.728 2.884 . 0 0 "[ . 1 ]" 1
214 1 59 GLU H 1 61 PHE H 5.000 . 5.000 3.715 3.348 4.048 . 0 0 "[ . 1 ]" 1
215 1 59 GLU H 1 60 THR H 3.000 . 3.000 2.331 2.200 2.535 . 0 0 "[ . 1 ]" 1
216 1 24 LYS H 1 26 LEU H 5.000 . 5.000 4.663 4.208 5.054 0.054 7 0 "[ . 1 ]" 1
217 1 13 VAL H 1 35 TRP H 7.000 . 7.000 4.533 4.216 4.855 . 0 0 "[ . 1 ]" 1
218 1 141 VAL H 1 142 ILE H 5.000 . 5.000 4.343 4.256 4.474 . 0 0 "[ . 1 ]" 1
219 1 96 ARG H 1 99 LEU H 5.000 . 5.000 4.775 4.542 5.064 0.064 14 0 "[ . 1 ]" 1
220 1 29 PHE H 1 46 SER H 7.000 . 7.000 4.434 4.229 4.738 . 0 0 "[ . 1 ]" 1
221 1 40 ASP H 1 41 THR H 5.000 . 5.000 4.322 4.225 4.410 . 0 0 "[ . 1 ]" 1
222 1 127 GLN H 1 127 GLN HE22 7.000 . 7.000 3.702 2.876 4.790 . 0 0 "[ . 1 ]" 1
223 1 46 SER H 1 50 PHE H 7.000 . 7.000 4.283 3.515 5.239 . 0 0 "[ . 1 ]" 1
224 1 46 SER H 1 47 TRP H 7.000 . 7.000 4.565 4.495 4.685 . 0 0 "[ . 1 ]" 1
225 1 47 TRP H 1 49 GLU H 5.000 . 5.000 3.644 3.410 3.899 . 0 0 "[ . 1 ]" 1
226 1 47 TRP H 1 50 PHE H 7.000 . 7.000 4.528 4.185 5.110 . 0 0 "[ . 1 ]" 1
227 1 35 TRP H 1 41 THR H 7.000 . 7.000 4.914 4.645 5.184 . 0 0 "[ . 1 ]" 1
228 1 45 ARG H 1 46 SER H 5.000 . 5.000 4.120 4.035 4.201 . 0 0 "[ . 1 ]" 1
229 1 29 PHE H 1 45 ARG H 3.000 . 3.000 2.727 2.382 3.074 0.074 1 0 "[ . 1 ]" 1
230 1 28 THR H 1 45 ARG H 7.000 . 7.000 6.079 5.627 7.041 0.041 12 0 "[ . 1 ]" 1
231 1 44 ARG H 1 45 ARG H 5.000 . 5.000 4.637 4.554 4.730 . 0 0 "[ . 1 ]" 1
232 1 30 ALA H 1 31 PHE H 5.000 . 5.000 4.472 4.082 4.584 . 0 0 "[ . 1 ]" 1
233 1 31 PHE H 1 43 VAL H 3.000 . 3.000 2.641 2.355 2.879 . 0 0 "[ . 1 ]" 1
234 1 31 PHE H 1 32 SER H 7.000 . 7.000 4.465 4.397 4.538 . 0 0 "[ . 1 ]" 1
235 1 33 VAL H 1 35 TRP HE1 7.000 . 7.000 4.857 4.461 5.405 . 0 0 "[ . 1 ]" 1
236 1 33 VAL H 1 34 ARG H 7.000 . 7.000 4.376 4.298 4.492 . 0 0 "[ . 1 ]" 1
237 1 23 ILE H 1 24 LYS H 5.000 . 5.000 4.016 3.680 4.350 . 0 0 "[ . 1 ]" 1
238 1 35 TRP H 1 36 SER H 7.000 . 7.000 4.499 4.400 4.542 . 0 0 "[ . 1 ]" 1
239 1 17 GLY H 1 32 SER H 7.000 . 7.000 4.711 4.495 4.913 . 0 0 "[ . 1 ]" 1
240 1 19 ALA H 1 32 SER H 7.000 . 7.000 5.774 5.442 6.094 . 0 0 "[ . 1 ]" 1
241 1 18 ALA H 1 30 ALA H 5.000 . 5.000 4.591 4.114 4.996 . 0 0 "[ . 1 ]" 1
242 1 29 PHE H 1 30 ALA H 5.000 . 5.000 4.273 4.161 4.537 . 0 0 "[ . 1 ]" 1
243 1 19 ALA H 1 30 ALA H 3.000 . 3.000 2.961 2.531 3.207 0.207 14 0 "[ . 1 ]" 1
244 1 16 GLN H 1 18 ALA H 7.000 . 7.000 5.202 4.554 5.521 . 0 0 "[ . 1 ]" 1
245 1 16 GLN H 1 32 SER H 3.000 . 3.000 2.333 2.006 2.629 . 0 0 "[ . 1 ]" 1
246 1 54 LYS H 1 57 LEU H 5.000 . 5.000 4.666 4.451 4.905 . 0 0 "[ . 1 ]" 1
247 1 15 VAL H 1 16 GLN H 5.000 . 5.000 4.401 4.261 4.468 . 0 0 "[ . 1 ]" 1
248 1 57 LEU H 1 58 LYS H 3.000 . 3.000 2.530 2.403 2.836 . 0 0 "[ . 1 ]" 1
249 1 57 LEU H 1 59 GLU H 5.000 . 5.000 3.970 3.690 4.580 . 0 0 "[ . 1 ]" 1
250 1 16 GLN H 1 16 GLN HE21 7.000 . 7.000 5.009 3.085 6.400 . 0 0 "[ . 1 ]" 1
251 1 44 ARG H 1 127 GLN H 7.000 . 7.000 6.201 5.269 7.105 0.105 10 0 "[ . 1 ]" 1
252 1 20 LEU H 1 142 ILE H 5.000 . 5.000 2.885 2.600 3.214 . 0 0 "[ . 1 ]" 1
253 1 20 LEU H 1 21 VAL H 5.000 . 5.000 4.223 4.141 4.327 . 0 0 "[ . 1 ]" 1
254 1 20 LEU H 1 143 LEU H 7.000 . 7.000 4.952 4.535 5.395 . 0 0 "[ . 1 ]" 1
255 1 23 ILE H 1 28 THR H 7.000 . 7.000 4.345 3.290 4.579 . 0 0 "[ . 1 ]" 1
256 1 120 ILE H 1 121 THR H 3.000 . 3.000 2.461 2.344 2.559 . 0 0 "[ . 1 ]" 1
257 1 21 VAL H 1 28 THR H 3.000 . 3.000 3.399 3.014 3.703 0.703 10 3 "[ . +* -]" 1
258 1 22 GLN H 1 23 ILE H 7.000 . 7.000 4.221 3.873 4.338 . 0 0 "[ . 1 ]" 1
259 1 23 ILE H 1 27 GLN H 7.000 . 7.000 5.308 4.738 6.021 . 0 0 "[ . 1 ]" 1
260 1 23 ILE H 1 25 ARG H 7.000 . 7.000 5.858 3.714 7.002 0.002 2 0 "[ . 1 ]" 1
261 1 99 LEU H 1 101 GLU H 5.000 . 5.000 4.444 4.274 4.611 . 0 0 "[ . 1 ]" 1
262 1 26 LEU H 1 27 GLN H 7.000 . 7.000 4.438 4.144 4.706 . 0 0 "[ . 1 ]" 1
263 1 93 GLY H 1 94 LEU H 3.000 . 3.000 2.748 1.958 3.205 0.205 6 0 "[ . 1 ]" 1
264 1 94 LEU H 1 95 ALA H 3.000 . 3.000 2.790 2.584 3.110 0.110 3 0 "[ . 1 ]" 1
265 1 33 VAL H 1 42 PHE H 7.000 . 7.000 4.600 4.457 4.833 . 0 0 "[ . 1 ]" 1
266 1 41 THR H 1 42 PHE H 7.000 . 7.000 4.243 4.143 4.335 . 0 0 "[ . 1 ]" 1
267 1 97 LEU H 1 100 LEU H 5.000 . 5.000 4.754 4.500 5.042 0.042 14 0 "[ . 1 ]" 1
268 1 65 ALA H 1 67 LEU H 5.000 . 5.000 3.630 2.675 4.009 . 0 0 "[ . 1 ]" 1
269 1 65 ALA H 1 66 GLY H 3.000 . 3.000 2.397 2.128 3.129 0.129 12 0 "[ . 1 ]" 1
270 1 28 THR H 1 29 PHE H 5.000 . 5.000 4.498 4.358 4.625 . 0 0 "[ . 1 ]" 1
271 1 54 LYS H 1 56 THR H 5.000 . 5.000 4.075 3.931 4.336 . 0 0 "[ . 1 ]" 1
272 1 56 THR H 1 59 GLU H 7.000 . 7.000 4.778 4.626 4.980 . 0 0 "[ . 1 ]" 1
273 1 46 SER H 1 48 ASP H 7.000 . 7.000 5.257 4.964 5.691 . 0 0 "[ . 1 ]" 1
274 1 33 VAL H 1 43 VAL H 7.000 . 7.000 4.750 4.515 5.047 . 0 0 "[ . 1 ]" 1
275 1 142 ILE H 1 143 LEU H 5.000 . 5.000 4.321 4.159 4.432 . 0 0 "[ . 1 ]" 1
276 1 21 VAL H 1 141 VAL H 7.000 . 7.000 7.306 7.206 7.412 0.412 13 0 "[ . 1 ]" 1
277 1 92 ARG H 1 94 LEU H 5.000 . 5.000 4.359 3.883 4.949 . 0 0 "[ . 1 ]" 1
278 1 96 ARG H 1 97 LEU H 3.000 . 3.000 2.854 2.051 3.017 0.017 1 0 "[ . 1 ]" 1
279 1 95 ALA H 1 97 LEU H 5.000 . 5.000 3.894 3.458 4.085 . 0 0 "[ . 1 ]" 1
280 1 97 LEU H 1 99 LEU H 5.000 . 5.000 4.330 4.138 4.523 . 0 0 "[ . 1 ]" 1
281 1 63 VAL H 1 64 GLU H 5.000 . 5.000 2.666 1.935 3.719 . 0 0 "[ . 1 ]" 1
282 1 35 TRP H 1 40 ASP H 7.000 . 7.000 4.533 4.207 4.884 . 0 0 "[ . 1 ]" 1
283 1 104 SER H 1 106 ARG H 5.000 . 5.000 3.950 3.794 4.099 . 0 0 "[ . 1 ]" 1
284 1 63 VAL H 1 65 ALA H 5.000 . 5.000 4.646 4.057 5.392 0.392 13 0 "[ . 1 ]" 1
285 1 106 ARG H 1 110 THR H 7.000 . 7.000 5.864 5.234 6.331 . 0 0 "[ . 1 ]" 1
286 1 102 THR H 1 104 SER H 5.000 . 5.000 4.281 3.748 4.567 . 0 0 "[ . 1 ]" 1
287 1 127 GLN H 1 129 LEU H 7.000 . 7.000 4.287 3.900 5.136 . 0 0 "[ . 1 ]" 1
288 1 129 LEU H 1 130 ASP H 3.000 . 3.000 2.661 2.172 2.907 . 0 0 "[ . 1 ]" 1
289 1 129 LEU H 1 132 GLU H 7.000 . 7.000 5.240 5.125 5.426 . 0 0 "[ . 1 ]" 1
290 1 129 LEU H 1 131 LEU H 5.000 . 5.000 3.872 3.683 4.435 . 0 0 "[ . 1 ]" 1
291 1 113 ARG H 1 116 ARG H 7.000 . 7.000 5.235 4.967 5.464 . 0 0 "[ . 1 ]" 1
292 1 113 ARG H 1 114 VAL H 3.000 . 3.000 2.951 2.830 3.026 0.026 9 0 "[ . 1 ]" 1
293 1 87 VAL H 1 88 GLY H 7.000 . 7.000 4.075 2.951 4.594 . 0 0 "[ . 1 ]" 1
294 1 66 GLY H 1 69 ARG H 7.000 . 7.000 4.672 3.939 5.452 . 0 0 "[ . 1 ]" 1
295 1 34 ARG H 1 35 TRP H 7.000 . 7.000 4.408 4.318 4.560 . 0 0 "[ . 1 ]" 1
296 1 13 VAL H 1 34 ARG H 5.000 . 5.000 3.812 3.474 4.200 . 0 0 "[ . 1 ]" 1
297 1 23 ILE H 1 26 LEU H 5.000 . 5.000 4.257 3.740 5.388 0.388 1 0 "[ . 1 ]" 1
298 1 104 SER H 1 107 LEU H 5.000 . 5.000 4.731 4.568 4.911 . 0 0 "[ . 1 ]" 1
299 1 57 LEU H 1 61 PHE H 7.000 . 7.000 5.954 5.646 6.253 . 0 0 "[ . 1 ]" 1
300 1 48 ASP H 1 51 ARG H 7.000 . 7.000 4.634 4.390 5.213 . 0 0 "[ . 1 ]" 1
301 1 99 LEU H 1 100 LEU H 3.000 . 3.000 2.816 2.675 2.911 . 0 0 "[ . 1 ]" 1
302 1 99 LEU H 1 102 THR H 5.000 . 5.000 4.832 4.631 5.085 0.085 1 0 "[ . 1 ]" 1
303 1 51 ARG H 1 53 LEU H 5.000 . 5.000 4.002 3.187 4.579 . 0 0 "[ . 1 ]" 1
304 1 106 ARG H 1 108 LEU H 5.000 . 5.000 4.050 3.830 4.181 . 0 0 "[ . 1 ]" 1
305 1 106 ARG H 1 109 ALA H 5.000 . 5.000 4.848 4.473 5.146 0.146 11 0 "[ . 1 ]" 1
306 1 53 LEU H 1 54 LYS H 3.000 . 3.000 2.836 2.568 3.081 0.081 9 0 "[ . 1 ]" 1
307 1 52 GLN H 1 53 LEU H 3.000 . 3.000 2.275 1.963 2.707 . 0 0 "[ . 1 ]" 1
308 1 130 ASP H 1 132 GLU H 5.000 . 5.000 3.866 3.589 4.167 . 0 0 "[ . 1 ]" 1
309 1 103 TYR H 1 104 SER H 3.000 . 3.000 2.734 2.630 2.873 . 0 0 "[ . 1 ]" 1
310 1 79 LEU H 1 102 THR H 7.000 . 7.000 7.193 6.947 7.512 0.512 2 1 "[ + . 1 ]" 1
311 1 84 LEU H 1 86 ARG H 7.000 . 7.000 6.045 4.314 7.584 0.584 4 1 "[ +. 1 ]" 1
312 1 95 ALA H 1 96 ARG H 3.000 . 3.000 2.517 1.941 2.926 . 0 0 "[ . 1 ]" 1
313 1 93 GLY H 1 95 ALA H 5.000 . 5.000 3.908 3.708 4.196 . 0 0 "[ . 1 ]" 1
314 1 114 VAL H 1 115 ALA H 3.000 . 3.000 2.804 2.619 3.081 0.081 6 0 "[ . 1 ]" 1
315 1 50 PHE H 1 53 LEU H 5.000 . 5.000 4.457 4.203 4.711 . 0 0 "[ . 1 ]" 1
316 1 36 SER H 1 39 SER H 7.000 . 7.000 5.523 5.287 5.744 . 0 0 "[ . 1 ]" 1
317 1 27 GLN HE21 1 93 GLY H 7.000 . 7.000 5.892 4.390 7.086 0.086 1 0 "[ . 1 ]" 1
318 1 48 ASP H 1 53 LEU H 7.000 . 7.000 7.475 7.329 7.671 0.671 10 5 "[ * *. *+ - ]" 1
319 1 53 LEU H 1 56 THR H 7.000 . 7.000 4.565 4.286 4.896 . 0 0 "[ . 1 ]" 1
320 1 134 ALA H 1 135 LEU H 5.000 . 5.000 4.476 4.346 4.637 . 0 0 "[ . 1 ]" 1
321 1 54 LYS H 1 55 LYS H 3.000 . 3.000 2.618 2.398 2.870 . 0 0 "[ . 1 ]" 1
322 1 72 ASP H 1 73 ARG H 3.000 . 3.000 2.629 1.971 3.195 0.195 1 0 "[ . 1 ]" 1
323 1 55 LYS H 1 59 GLU H 7.000 . 7.000 6.168 5.861 6.425 . 0 0 "[ . 1 ]" 1
324 1 111 ALA H 1 112 GLU H 5.000 . 5.000 3.932 3.834 4.156 . 0 0 "[ . 1 ]" 1
325 1 35 TRP H 1 37 ASP H 7.000 . 7.000 4.969 4.621 5.282 . 0 0 "[ . 1 ]" 1
326 1 111 ALA H 1 115 ALA H 5.000 . 5.000 4.234 3.613 5.109 0.109 6 0 "[ . 1 ]" 1
327 1 63 VAL H 1 69 ARG H 7.000 . 7.000 6.341 5.086 7.352 0.352 12 0 "[ . 1 ]" 1
328 1 67 LEU H 1 69 ARG H 5.000 . 5.000 4.145 3.794 4.676 . 0 0 "[ . 1 ]" 1
329 1 109 ALA H 1 111 ALA H 5.000 . 5.000 3.930 3.156 4.601 . 0 0 "[ . 1 ]" 1
330 1 131 LEU H 1 132 GLU H 3.000 . 3.000 2.555 2.372 3.029 0.029 8 0 "[ . 1 ]" 1
331 1 127 GLN HE21 1 131 LEU H 7.000 . 7.000 5.840 4.953 7.064 0.064 9 0 "[ . 1 ]" 1
332 1 110 THR H 1 111 ALA H 5.000 . 5.000 2.436 1.686 3.377 0.114 12 0 "[ . 1 ]" 1
333 1 114 VAL H 1 117 SER H 7.000 . 7.000 5.021 3.951 5.249 . 0 0 "[ . 1 ]" 1
334 1 104 SER H 1 108 LEU H 7.000 . 7.000 6.247 6.040 6.465 . 0 0 "[ . 1 ]" 1
335 1 107 LEU H 1 108 LEU H 3.000 . 3.000 2.841 2.104 3.006 0.006 1 0 "[ . 1 ]" 1
336 1 108 LEU H 1 109 ALA H 3.000 . 3.000 2.645 2.000 2.795 . 0 0 "[ . 1 ]" 1
337 1 108 LEU H 1 110 THR H 5.000 . 5.000 4.381 3.825 4.843 . 0 0 "[ . 1 ]" 1
338 1 18 ALA H 1 19 ALA H 3.000 . 3.000 2.523 2.346 2.786 . 0 0 "[ . 1 ]" 1
339 1 115 ALA H 1 116 ARG H 3.000 . 3.000 2.917 1.738 3.330 0.330 1 0 "[ . 1 ]" 1
340 1 114 VAL H 1 116 ARG H 5.000 . 5.000 4.540 4.003 4.730 . 0 0 "[ . 1 ]" 1
341 1 122 GLY H 1 125 ALA H 7.000 . 7.000 5.017 4.810 5.172 . 0 0 "[ . 1 ]" 1
342 1 121 THR H 1 123 PHE H 5.000 . 5.000 4.837 4.291 5.020 0.020 14 0 "[ . 1 ]" 1
343 1 117 SER H 1 120 ILE H 7.000 . 7.000 4.247 4.106 4.663 . 0 0 "[ . 1 ]" 1
344 1 98 GLN H 1 100 LEU H 5.000 . 5.000 4.287 4.069 4.509 . 0 0 "[ . 1 ]" 1
345 1 96 ARG H 1 98 GLN H 5.000 . 5.000 4.283 3.826 4.596 . 0 0 "[ . 1 ]" 1
346 1 97 LEU H 1 98 GLN H 3.000 . 3.000 2.675 2.575 2.815 . 0 0 "[ . 1 ]" 1
347 1 95 ALA H 1 98 GLN H 5.000 . 5.000 4.723 4.505 5.127 0.127 1 0 "[ . 1 ]" 1
348 1 13 VAL H 1 14 SER H 3.000 . 3.000 2.084 1.711 2.559 0.089 10 0 "[ . 1 ]" 1
349 1 14 SER H 1 15 VAL H 7.000 . 7.000 4.334 4.218 4.476 . 0 0 "[ . 1 ]" 1
350 1 121 THR H 1 124 PHE H 7.000 . 7.000 5.234 5.019 5.449 . 0 0 "[ . 1 ]" 1
351 1 122 GLY H 1 124 PHE H 5.000 . 5.000 4.580 4.397 4.737 . 0 0 "[ . 1 ]" 1
352 1 107 LEU H 1 109 ALA H 5.000 . 5.000 4.054 3.217 4.347 . 0 0 "[ . 1 ]" 1
353 1 109 ALA H 1 110 THR H 3.000 . 3.000 2.604 2.102 2.894 . 0 0 "[ . 1 ]" 1
354 1 107 LEU H 1 110 THR H 7.000 . 7.000 4.654 4.525 4.796 . 0 0 "[ . 1 ]" 1
355 1 34 ARG H 1 41 THR H 7.000 . 7.000 4.586 4.343 4.973 . 0 0 "[ . 1 ]" 1
356 1 127 GLN H 1 129 LEU MD1 5.000 . 5.000 5.022 3.047 5.339 0.339 12 0 "[ . 1 ]" 1
357 1 21 VAL MG1 1 22 GLN H 3.000 . 3.000 2.559 2.323 2.739 . 0 0 "[ . 1 ]" 1
358 1 20 LEU MD1 1 21 VAL H 3.000 . 3.000 2.706 1.827 3.255 0.255 11 0 "[ . 1 ]" 1
359 1 21 VAL H 1 21 VAL MG2 3.000 . 3.000 2.801 2.549 3.061 0.061 3 0 "[ . 1 ]" 1
360 1 23 ILE H 1 23 ILE MD 5.000 . 5.000 2.372 1.726 3.642 0.074 2 0 "[ . 1 ]" 1
361 1 141 VAL MG1 1 143 LEU H 5.000 . 5.000 4.555 4.119 4.994 . 0 0 "[ . 1 ]" 1
362 1 13 VAL MG2 1 34 ARG H 5.000 . 5.000 3.406 2.943 3.802 . 0 0 "[ . 1 ]" 1
363 1 43 VAL MG1 1 45 ARG H 7.000 . 7.000 6.891 6.415 7.059 0.059 6 0 "[ . 1 ]" 1
364 1 13 VAL MG2 1 35 TRP H 7.000 . 7.000 4.219 3.726 4.573 . 0 0 "[ . 1 ]" 1
365 1 30 ALA H 1 97 LEU MD2 5.000 . 5.000 3.003 1.797 3.892 0.003 13 0 "[ . 1 ]" 1
366 1 16 GLN H 1 33 VAL MG1 5.000 . 5.000 4.609 3.311 5.048 0.048 9 0 "[ . 1 ]" 1
367 1 57 LEU H 1 57 LEU MD1 3.000 . 3.000 2.392 1.704 3.386 0.386 9 0 "[ . 1 ]" 1
368 1 15 VAL MG1 1 16 GLN H 3.000 . 3.000 2.428 2.283 2.633 . 0 0 "[ . 1 ]" 1
369 1 13 VAL MG2 1 16 GLN H 7.000 . 7.000 7.226 6.864 7.364 0.364 4 0 "[ . 1 ]" 1
370 1 141 VAL H 1 141 VAL MG2 3.000 . 3.000 2.250 1.917 2.429 . 0 0 "[ . 1 ]" 1
371 1 43 VAL MG1 1 44 ARG H 5.000 . 5.000 3.685 3.494 3.788 . 0 0 "[ . 1 ]" 1
372 1 20 LEU H 1 20 LEU MD1 5.000 . 5.000 4.082 3.538 4.365 . 0 0 "[ . 1 ]" 1
373 1 20 LEU H 1 20 LEU MD2 5.000 . 5.000 4.228 4.108 4.713 . 0 0 "[ . 1 ]" 1
374 1 140 ARG H 1 141 VAL MG2 5.000 . 5.000 3.760 3.559 3.899 . 0 0 "[ . 1 ]" 1
375 1 26 LEU MD1 1 27 GLN H 5.000 . 5.000 4.815 3.733 5.140 0.140 2 0 "[ . 1 ]" 1
376 1 94 LEU H 1 94 LEU MD1 5.000 . 5.000 3.582 3.209 4.026 . 0 0 "[ . 1 ]" 1
377 1 94 LEU H 1 94 LEU MD2 3.000 . 3.000 2.370 1.779 3.197 0.197 12 0 "[ . 1 ]" 1
378 1 94 LEU MD1 1 95 ALA H 5.000 . 5.000 4.653 4.353 5.130 0.130 10 0 "[ . 1 ]" 1
379 1 84 LEU H 1 84 LEU MD2 5.000 . 5.000 3.413 2.440 4.412 . 0 0 "[ . 1 ]" 1
380 1 94 LEU MD2 1 95 ALA H 5.000 . 5.000 4.232 3.850 4.681 . 0 0 "[ . 1 ]" 1
381 1 115 ALA H 1 120 ILE MD 5.000 . 5.000 4.632 4.224 5.111 0.111 13 0 "[ . 1 ]" 1
382 1 43 VAL MG1 1 125 ALA H 7.000 . 7.000 5.308 4.635 6.245 . 0 0 "[ . 1 ]" 1
383 1 63 VAL MG1 1 64 GLU H 3.000 . 3.000 3.033 2.155 3.741 0.741 3 1 "[ + . 1 ]" 1
384 1 63 VAL MG2 1 64 GLU H 5.000 . 5.000 3.549 3.366 3.803 . 0 0 "[ . 1 ]" 1
385 1 42 PHE H 1 43 VAL MG2 5.000 . 5.000 4.562 4.114 4.830 . 0 0 "[ . 1 ]" 1
386 1 83 LEU H 1 83 LEU MD1 3.000 . 3.000 2.093 1.762 2.594 0.038 6 0 "[ . 1 ]" 1
387 1 26 LEU H 1 26 LEU MD1 5.000 . 5.000 3.829 3.394 4.326 . 0 0 "[ . 1 ]" 1
388 1 120 ILE H 1 120 ILE MD 5.000 . 5.000 3.379 2.941 3.602 . 0 0 "[ . 1 ]" 1
389 1 63 VAL MG1 1 65 ALA H 5.000 . 5.000 4.423 3.820 4.774 . 0 0 "[ . 1 ]" 1
390 1 97 LEU H 1 97 LEU MD1 3.000 . 3.000 3.339 1.971 3.827 0.827 3 3 "[ + . *1 - ]" 1
391 1 99 LEU H 1 99 LEU MD1 5.000 . 5.000 2.948 1.864 3.454 . 0 0 "[ . 1 ]" 1
392 1 57 LEU MD1 1 61 PHE H 7.000 . 7.000 6.128 5.324 6.406 . 0 0 "[ . 1 ]" 1
393 1 97 LEU MD1 1 99 LEU H 7.000 . 7.000 6.312 5.541 6.584 . 0 0 "[ . 1 ]" 1
394 1 15 VAL H 1 15 VAL MG2 3.000 . 3.000 3.064 2.932 3.200 0.200 13 0 "[ . 1 ]" 1
395 1 72 ASP H 1 74 VAL MG2 5.000 . 5.000 4.885 3.982 5.639 0.639 6 1 "[ .+ 1 ]" 1
396 1 134 ALA H 1 135 LEU MD1 5.000 . 5.000 4.248 3.862 4.734 . 0 0 "[ . 1 ]" 1
397 1 131 LEU MD2 1 132 GLU H 5.000 . 5.000 4.628 4.551 4.818 . 0 0 "[ . 1 ]" 1
398 1 96 ARG H 1 99 LEU MD1 5.000 . 5.000 4.068 3.355 4.865 . 0 0 "[ . 1 ]" 1
399 1 63 VAL H 1 63 VAL MG2 3.000 . 3.000 2.578 1.900 3.139 0.139 10 0 "[ . 1 ]" 1
400 1 79 LEU MD2 1 80 ASP H 3.000 . 3.000 2.800 1.849 3.239 0.239 7 0 "[ . 1 ]" 1
401 1 131 LEU H 1 131 LEU MD1 5.000 . 5.000 3.730 3.369 3.889 . 0 0 "[ . 1 ]" 1
402 1 75 LEU MD2 1 111 ALA H 5.000 . 5.000 5.215 5.001 5.583 0.583 6 1 "[ .+ 1 ]" 1
403 1 108 LEU MD2 1 109 ALA H 5.000 . 5.000 4.609 4.412 4.726 . 0 0 "[ . 1 ]" 1
404 1 53 LEU MD2 1 56 THR H 7.000 . 7.000 4.940 4.238 5.811 . 0 0 "[ . 1 ]" 1
405 1 32 SER H 1 43 VAL MG2 7.000 . 7.000 5.017 4.481 5.275 . 0 0 "[ . 1 ]" 1
406 1 15 VAL MG1 1 32 SER H 3.000 . 3.000 2.907 2.493 3.162 0.162 13 0 "[ . 1 ]" 1
407 1 26 LEU MD1 1 28 THR H 7.000 . 7.000 6.573 5.356 7.359 0.359 12 0 "[ . 1 ]" 1
408 1 21 VAL MG1 1 28 THR H 5.000 . 5.000 3.941 3.282 4.625 . 0 0 "[ . 1 ]" 1
409 1 43 VAL H 1 43 VAL MG2 3.000 . 3.000 2.077 2.003 2.160 . 0 0 "[ . 1 ]" 1
410 1 129 LEU H 1 129 LEU MD1 3.000 . 3.000 2.677 1.742 3.230 0.230 14 0 "[ . 1 ]" 1
411 1 108 LEU H 1 108 LEU MD2 3.000 . 3.000 3.270 3.083 3.439 0.439 14 0 "[ . 1 ]" 1
412 1 98 GLN H 1 99 LEU MD1 7.000 . 7.000 4.784 3.732 5.394 . 0 0 "[ . 1 ]" 1
413 1 97 LEU MD2 1 98 GLN H 5.000 . 5.000 4.575 4.144 4.714 . 0 0 "[ . 1 ]" 1
414 1 13 VAL H 1 13 VAL MG2 3.000 . 3.000 2.127 1.877 2.650 . 0 0 "[ . 1 ]" 1
415 1 74 VAL MG2 1 113 ARG H 7.000 . 7.000 5.776 4.631 7.043 0.043 10 0 "[ . 1 ]" 1
416 1 13 VAL MG1 1 14 SER H 5.000 . 5.000 3.727 3.444 3.915 . 0 0 "[ . 1 ]" 1
417 1 13 VAL MG2 1 14 SER H 5.000 . 5.000 2.000 1.831 2.171 . 0 0 "[ . 1 ]" 1
418 1 94 LEU MD1 1 98 GLN HE21 5.000 . 5.000 4.006 3.041 5.006 0.006 12 0 "[ . 1 ]" 1
419 1 43 VAL MG1 1 127 GLN HE21 5.000 . 5.000 4.352 3.952 4.846 . 0 0 "[ . 1 ]" 1
420 1 43 VAL MG1 1 127 GLN HE22 5.000 . 5.000 4.900 2.638 5.276 0.276 3 0 "[ . 1 ]" 1
421 1 33 VAL MG1 1 41 THR H 5.000 . 5.000 3.741 3.293 4.846 . 0 0 "[ . 1 ]" 1
422 1 22 GLN HE21 1 142 ILE MD 5.000 . 5.000 3.580 1.972 5.170 0.170 5 0 "[ . 1 ]" 1
423 1 22 GLN HE22 1 142 ILE MD 5.000 . 5.000 3.122 1.777 5.084 0.084 12 0 "[ . 1 ]" 1
424 1 20 LEU MD2 1 27 GLN HE22 7.000 . 7.000 5.103 3.294 6.864 . 0 0 "[ . 1 ]" 1
425 1 33 VAL H 1 43 VAL MG1 5.000 . 5.000 5.016 4.806 5.244 0.244 5 0 "[ . 1 ]" 1
426 1 142 ILE H 1 143 LEU MD1 5.000 . 5.000 4.564 4.077 5.124 0.124 11 0 "[ . 1 ]" 1
427 1 33 VAL H 1 33 VAL MG1 3.000 . 3.000 2.112 1.844 2.405 . 0 0 "[ . 1 ]" 1
428 1 142 ILE H 1 142 ILE MD 3.000 . 3.000 3.501 3.414 3.634 0.634 9 8 "[ * *. **+-* * ]" 1
429 1 93 GLY H 1 94 LEU MD1 7.000 . 7.000 5.677 5.319 6.481 . 0 0 "[ . 1 ]" 1
430 1 66 GLY H 1 67 LEU MD1 5.000 . 5.000 4.716 4.075 5.166 0.166 12 0 "[ . 1 ]" 1
431 1 79 LEU H 1 79 LEU MD1 5.000 . 5.000 3.930 1.849 4.410 . 0 0 "[ . 1 ]" 1
432 1 15 VAL MG2 1 34 ARG H 5.000 . 5.000 3.870 3.041 4.549 . 0 0 "[ . 1 ]" 1
433 1 33 VAL MG2 1 34 ARG H 3.000 . 3.000 2.755 2.513 3.296 0.296 1 0 "[ . 1 ]" 1
434 1 15 VAL MG2 1 16 GLN H 5.000 . 5.000 4.097 3.865 4.274 . 0 0 "[ . 1 ]" 1
435 1 53 LEU H 1 53 LEU MD2 5.000 . 5.000 3.964 3.571 4.269 . 0 0 "[ . 1 ]" 1
436 1 114 VAL MG1 1 115 ALA H 5.000 . 5.000 3.412 3.096 4.145 . 0 0 "[ . 1 ]" 1
437 1 114 VAL MG2 1 115 ALA H 5.000 . 5.000 3.838 3.631 4.189 . 0 0 "[ . 1 ]" 1
438 1 107 LEU H 1 114 VAL MG1 5.000 . 5.000 5.423 5.236 5.700 0.700 12 4 "[ * . *-+ ]" 1
439 1 100 LEU H 1 100 LEU MD1 5.000 . 5.000 3.326 1.985 3.722 . 0 0 "[ . 1 ]" 1
440 1 53 LEU MD2 1 54 LYS H 7.000 . 7.000 3.952 2.747 4.695 . 0 0 "[ . 1 ]" 1
441 1 111 ALA H 1 114 VAL MG2 5.000 . 5.000 4.782 4.417 5.203 0.203 9 0 "[ . 1 ]" 1
442 1 114 VAL MG1 1 117 SER H 5.000 . 5.000 4.520 4.196 4.900 . 0 0 "[ . 1 ]" 1
443 1 15 VAL MG2 1 32 SER H 5.000 . 5.000 4.869 4.666 5.063 0.063 13 0 "[ . 1 ]" 1
444 1 108 LEU H 1 108 LEU MD1 5.000 . 5.000 3.600 3.404 3.857 . 0 0 "[ . 1 ]" 1
445 1 114 VAL H 1 114 VAL MG2 3.000 . 3.000 2.020 1.713 2.299 0.087 13 0 "[ . 1 ]" 1
446 1 13 VAL H 1 108 LEU MD1 7.000 . 7.000 4.244 3.328 5.736 . 0 0 "[ . 1 ]" 1
447 1 13 VAL H 1 33 VAL MG2 5.000 . 5.000 3.866 3.409 4.563 . 0 0 "[ . 1 ]" 1
448 1 113 ARG H 1 114 VAL MG1 7.000 . 7.000 5.975 5.766 6.090 . 0 0 "[ . 1 ]" 1
449 1 113 ARG H 1 114 VAL MG2 5.000 . 5.000 4.382 3.874 4.689 . 0 0 "[ . 1 ]" 1
450 1 14 SER H 1 15 VAL MG2 5.000 . 5.000 3.846 3.640 4.007 . 0 0 "[ . 1 ]" 1
451 1 14 SER H 1 33 VAL MG2 5.000 . 5.000 3.500 2.850 4.419 . 0 0 "[ . 1 ]" 1
452 1 33 VAL MG2 1 35 TRP HE1 5.000 . 5.000 3.317 2.201 4.190 . 0 0 "[ . 1 ]" 1
453 1 78 LEU MD2 1 79 LEU H 3.000 . 3.000 2.637 2.080 3.272 0.272 13 0 "[ . 1 ]" 1
454 1 53 LEU H 1 53 LEU MD1 5.000 . 5.000 3.867 3.200 4.322 . 0 0 "[ . 1 ]" 1
455 1 100 LEU H 1 100 LEU MD2 5.000 . 5.000 3.459 2.315 3.813 . 0 0 "[ . 1 ]" 1
456 1 53 LEU MD1 1 54 LYS H 5.000 . 5.000 4.198 2.878 4.768 . 0 0 "[ . 1 ]" 1
457 1 114 VAL MG2 1 116 ARG H 7.000 . 7.000 5.367 4.840 5.558 . 0 0 "[ . 1 ]" 1
458 1 121 THR H 1 125 ALA H 7.000 . 7.000 6.270 5.964 6.601 . 0 0 "[ . 1 ]" 1
459 1 93 GLY H 1 94 LEU MD2 5.000 . 5.000 4.335 3.566 5.301 0.301 10 0 "[ . 1 ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 65
_Distance_constraint_stats_list.Viol_count 17
_Distance_constraint_stats_list.Viol_total 21.059
_Distance_constraint_stats_list.Viol_max 0.267
_Distance_constraint_stats_list.Viol_rms 0.0152
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0885
_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 15 VAL 0.107 0.094 8 0 "[ . 1 ]"
1 16 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 20 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 29 PHE 1.195 0.267 6 0 "[ . 1 ]"
1 30 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 31 PHE 0.107 0.094 8 0 "[ . 1 ]"
1 32 SER 0.000 0.000 . 0 "[ . 1 ]"
1 33 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 41 THR 0.000 0.000 . 0 "[ . 1 ]"
1 42 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 43 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 45 ARG 0.732 0.161 2 0 "[ . 1 ]"
1 47 TRP 0.000 0.000 . 0 "[ . 1 ]"
1 48 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 50 PHE 0.463 0.267 6 0 "[ . 1 ]"
1 53 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 60 THR 0.000 0.000 . 0 "[ . 1 ]"
1 61 PHE 0.202 0.094 1 0 "[ . 1 ]"
1 63 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 75 LEU 0.202 0.094 1 0 "[ . 1 ]"
1 96 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 97 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 100 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 101 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 114 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 120 ILE 0.000 0.000 . 0 "[ . 1 ]"
1 123 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 124 PHE 0.107 0.094 8 0 "[ . 1 ]"
1 125 ALA 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 1 120 ILE MD 1 124 PHE QE 3.500 . 5.000 2.592 2.194 3.192 . 0 0 "[ . 1 ]" 2
2 1 15 VAL MG1 1 124 PHE QE 5.500 . 7.000 2.668 2.026 3.267 . 0 0 "[ . 1 ]" 2
3 1 124 PHE QE 1 125 ALA H 5.500 . 7.000 6.268 6.093 6.475 . 0 0 "[ . 1 ]" 2
4 1 15 VAL MG2 1 124 PHE QE 3.500 . 5.000 2.371 1.887 3.669 . 0 0 "[ . 1 ]" 2
5 1 43 VAL MG2 1 124 PHE QE 5.500 . 7.000 5.173 4.311 6.110 . 0 0 "[ . 1 ]" 2
6 1 33 VAL MG1 1 124 PHE QE 3.500 . 5.000 3.838 2.565 4.678 . 0 0 "[ . 1 ]" 2
7 1 15 VAL MG2 1 31 PHE QR 3.500 . 5.000 4.359 4.012 4.668 . 0 0 "[ . 1 ]" 2
8 1 31 PHE QR 1 43 VAL H . . 5.000 3.950 3.545 4.331 . 0 0 "[ . 1 ]" 2
9 1 16 GLN H 1 31 PHE QR 5.500 . 7.000 3.915 2.674 5.185 . 0 0 "[ . 1 ]" 2
10 1 31 PHE QR 1 32 SER H 5.500 . 7.000 3.296 2.235 3.841 . 0 0 "[ . 1 ]" 2
11 1 31 PHE H 1 31 PHE QR 3.500 . 5.000 3.235 2.918 3.902 . 0 0 "[ . 1 ]" 2
12 1 31 PHE QR 1 43 VAL MG2 3.500 . 5.000 3.292 2.106 3.965 . 0 0 "[ . 1 ]" 2
13 1 15 VAL MG1 1 31 PHE QR 3.500 . 5.000 2.319 1.982 3.015 . 0 0 "[ . 1 ]" 2
14 1 61 PHE QR 1 114 VAL MG1 5.500 . 7.000 2.667 2.182 3.164 . 0 0 "[ . 1 ]" 2
15 1 31 PHE QR 1 101 GLU H 5.500 . 7.000 2.875 2.225 4.684 . 0 0 "[ . 1 ]" 2
16 1 61 PHE H 1 61 PHE QR . . 5.000 2.845 2.298 3.547 . 0 0 "[ . 1 ]" 2
17 1 31 PHE QR 1 33 VAL MG1 . . 5.000 4.454 3.721 4.805 . 0 0 "[ . 1 ]" 2
18 1 120 ILE MD 1 123 PHE QR 3.500 . 5.000 3.862 3.386 4.534 . 0 0 "[ . 1 ]" 2
19 1 61 PHE QR 1 120 ILE MD 3.500 . 5.000 3.987 3.353 4.644 . 0 0 "[ . 1 ]" 2
20 1 47 TRP H 1 50 PHE QR 5.500 . 7.000 5.557 3.698 6.791 . 0 0 "[ . 1 ]" 2
21 1 31 PHE QR 1 45 ARG H 5.500 . 7.000 4.321 3.576 5.455 . 0 0 "[ . 1 ]" 2
22 1 53 LEU MD1 1 123 PHE QR 5.500 . 7.000 2.332 1.968 3.306 . 0 0 "[ . 1 ]" 2
23 1 61 PHE QR 1 114 VAL MG2 . . 5.000 2.434 1.872 2.783 . 0 0 "[ . 1 ]" 2
24 1 42 PHE H 1 42 PHE QR . . 5.000 3.054 2.514 4.126 . 0 0 "[ . 1 ]" 2
25 1 30 ALA H 1 31 PHE QR 5.500 . 7.000 4.509 3.387 5.567 . 0 0 "[ . 1 ]" 2
26 1 53 LEU H 1 123 PHE QR 5.500 . 7.000 5.158 4.306 6.427 . 0 0 "[ . 1 ]" 2
27 1 16 GLN H 1 31 PHE QR 5.500 . 7.000 3.825 2.666 4.654 . 0 0 "[ . 1 ]" 2
28 1 123 PHE QR 1 124 PHE H 5.500 . 7.000 3.694 3.306 4.187 . 0 0 "[ . 1 ]" 2
29 1 32 SER H 1 42 PHE QR 5.500 . 7.000 5.148 4.326 6.783 . 0 0 "[ . 1 ]" 2
30 1 31 PHE QR 1 43 VAL MG1 5.500 . 7.000 5.589 4.231 6.097 . 0 0 "[ . 1 ]" 2
31 1 41 THR H 1 42 PHE QR 5.500 . 7.000 4.283 3.376 6.376 . 0 0 "[ . 1 ]" 2
32 1 124 PHE QD 1 125 ALA H 5.500 . 7.000 4.383 4.068 4.657 . 0 0 "[ . 1 ]" 2
33 1 31 PHE QR 1 33 VAL H 5.500 . 7.000 4.430 2.973 5.208 . 0 0 "[ . 1 ]" 2
34 1 31 PHE QR 1 33 VAL MG2 5.500 . 7.000 5.769 5.141 6.108 . 0 0 "[ . 1 ]" 2
35 1 31 PHE QR 1 100 LEU MD2 5.500 . 7.000 2.333 1.964 3.221 . 0 0 "[ . 1 ]" 2
36 1 15 VAL MG1 1 31 PHE QR 3.500 . 5.000 2.120 1.706 2.404 0.094 8 0 "[ . 1 ]" 2
37 1 29 PHE H 1 50 PHE QR 5.500 . 7.000 5.477 3.522 7.267 0.267 6 0 "[ . 1 ]" 2
38 1 31 PHE QR 1 100 LEU MD1 5.500 . 7.000 2.792 2.132 3.599 . 0 0 "[ . 1 ]" 2
39 1 31 PHE QR 1 97 LEU H 5.500 . 7.000 5.813 4.492 6.947 . 0 0 "[ . 1 ]" 2
40 1 60 THR H 1 61 PHE QR 5.500 . 7.000 3.980 3.538 4.566 . 0 0 "[ . 1 ]" 2
41 1 61 PHE QR 1 63 VAL H 5.500 . 7.000 5.257 3.418 6.502 . 0 0 "[ . 1 ]" 2
42 1 20 LEU MD2 1 29 PHE HZ 3.500 . 5.000 4.049 3.397 4.623 . 0 0 "[ . 1 ]" 2
43 1 29 PHE HZ 1 47 TRP H 5.500 . 7.000 5.667 4.325 6.480 . 0 0 "[ . 1 ]" 2
44 1 29 PHE QD 1 48 ASP H 5.500 . 7.000 5.422 4.905 5.863 . 0 0 "[ . 1 ]" 2
45 1 29 PHE QD 1 30 ALA H 5.500 . 7.000 4.321 3.612 4.711 . 0 0 "[ . 1 ]" 2
46 1 29 PHE QD 1 97 LEU H 5.500 . 7.000 3.899 3.107 5.315 . 0 0 "[ . 1 ]" 2
47 1 20 LEU MD2 1 29 PHE QD 3.500 . 5.000 2.980 2.006 4.025 . 0 0 "[ . 1 ]" 2
48 1 29 PHE QD 1 47 TRP H 5.500 . 7.000 3.335 2.631 3.917 . 0 0 "[ . 1 ]" 2
49 1 29 PHE QD 1 45 ARG H 5.500 . 7.000 4.830 4.135 5.330 . 0 0 "[ . 1 ]" 2
50 1 29 PHE QD 1 100 LEU MD1 5.500 . 7.000 3.256 2.267 4.578 . 0 0 "[ . 1 ]" 2
51 1 29 PHE QE 1 45 ARG H 5.500 . 7.000 6.860 6.130 7.161 0.161 2 0 "[ . 1 ]" 2
52 1 29 PHE QE 1 100 LEU MD1 5.500 . 7.000 3.690 2.568 5.498 . 0 0 "[ . 1 ]" 2
53 1 29 PHE QE 1 97 LEU H 5.500 . 7.000 3.427 2.187 5.409 . 0 0 "[ . 1 ]" 2
54 1 20 LEU MD2 1 29 PHE QE 3.500 . 5.000 3.074 2.067 3.842 . 0 0 "[ . 1 ]" 2
55 1 29 PHE QE 1 48 ASP H 5.500 . 7.000 5.155 4.416 6.057 . 0 0 "[ . 1 ]" 2
56 1 29 PHE H 1 29 PHE QE 5.500 . 7.000 4.502 3.723 4.853 . 0 0 "[ . 1 ]" 2
57 1 29 PHE QE 1 47 TRP H 5.500 . 7.000 3.384 2.305 4.137 . 0 0 "[ . 1 ]" 2
58 1 29 PHE QE 1 96 ARG H 5.500 . 7.000 4.368 3.607 6.596 . 0 0 "[ . 1 ]" 2
59 1 29 PHE QE 1 97 LEU MD2 5.500 . 7.000 4.082 2.990 4.938 . 0 0 "[ . 1 ]" 2
60 1 29 PHE QD 1 97 LEU MD2 3.500 . 5.000 2.518 1.846 3.599 . 0 0 "[ . 1 ]" 2
61 1 29 PHE HZ 1 97 LEU MD2 5.500 . 7.000 5.586 4.178 6.563 . 0 0 "[ . 1 ]" 2
62 1 31 PHE QR 1 97 LEU MD2 5.500 . 7.000 3.357 2.293 5.070 . 0 0 "[ . 1 ]" 2
63 1 61 PHE QE 1 75 LEU MD2 5.500 . 7.000 4.011 3.622 4.587 . 0 0 "[ . 1 ]" 2
64 1 61 PHE QD 1 75 LEU MD2 2.500 . 3.500 3.412 3.057 3.594 0.094 1 0 "[ . 1 ]" 2
65 1 61 PHE HZ 1 75 LEU MD2 5.500 . 7.000 5.208 4.773 6.068 . 0 0 "[ . 1 ]" 2
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