NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
381009 |
1irz   |
5174 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1irz
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 779
_Distance_constraint_stats_list.Viol_count 741
_Distance_constraint_stats_list.Viol_total 473.360
_Distance_constraint_stats_list.Viol_max 0.703
_Distance_constraint_stats_list.Viol_rms 0.0200
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0027
_Distance_constraint_stats_list.Viol_average_violations_only 0.0426
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 3 GLN 0.007 0.007 10 0 "[ . 1 .]"
1 4 LYS 0.056 0.039 9 0 "[ . 1 .]"
1 5 LYS 0.049 0.039 9 0 "[ . 1 .]"
1 6 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 7 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 8 VAL 0.036 0.030 7 0 "[ . 1 .]"
1 9 LEU 0.765 0.086 13 0 "[ . 1 .]"
1 10 TRP 0.099 0.083 13 0 "[ . 1 .]"
1 11 THR 0.543 0.079 10 0 "[ . 1 .]"
1 12 HIS 0.162 0.030 5 0 "[ . 1 .]"
1 13 GLU 0.759 0.066 13 0 "[ . 1 .]"
1 14 LEU 1.489 0.083 13 0 "[ . 1 .]"
1 15 HIS 0.352 0.130 6 0 "[ . 1 .]"
1 16 ASN 0.548 0.130 6 0 "[ . 1 .]"
1 17 LYS 0.866 0.053 2 0 "[ . 1 .]"
1 18 PHE 4.612 0.703 10 3 "[ . + **]"
1 19 LEU 1.029 0.083 3 0 "[ . 1 .]"
1 20 ALA 1.199 0.078 3 0 "[ . 1 .]"
1 21 ALA 1.465 0.130 15 0 "[ . 1 .]"
1 22 VAL 1.853 0.155 12 0 "[ . 1 .]"
1 23 ASP 3.797 0.107 6 0 "[ . 1 .]"
1 24 HIS 2.443 0.107 12 0 "[ . 1 .]"
1 25 LEU 0.697 0.042 6 0 "[ . 1 .]"
1 26 GLY 0.716 0.076 11 0 "[ . 1 .]"
1 27 VAL 1.737 0.087 12 0 "[ . 1 .]"
1 28 GLU 1.070 0.087 12 0 "[ . 1 .]"
1 29 ARG 0.121 0.029 15 0 "[ . 1 .]"
1 30 ALA 0.234 0.092 12 0 "[ . 1 .]"
1 31 VAL 0.097 0.050 1 0 "[ . 1 .]"
1 32 PRO 0.417 0.045 12 0 "[ . 1 .]"
1 33 LYS 1.753 0.077 13 0 "[ . 1 .]"
1 34 LYS 1.482 0.103 5 0 "[ . 1 .]"
1 35 ILE 4.383 0.277 15 0 "[ . 1 .]"
1 36 LEU 2.212 0.070 9 0 "[ . 1 .]"
1 37 ASP 1.522 0.103 5 0 "[ . 1 .]"
1 38 LEU 1.175 0.130 15 0 "[ . 1 .]"
1 39 MET 0.962 0.070 9 0 "[ . 1 .]"
1 40 ASN 0.593 0.038 10 0 "[ . 1 .]"
1 41 VAL 0.620 0.041 10 0 "[ . 1 .]"
1 42 ASP 0.785 0.154 14 0 "[ . 1 .]"
1 43 LYS 0.021 0.015 5 0 "[ . 1 .]"
1 44 LEU 0.073 0.029 3 0 "[ . 1 .]"
1 45 THR 0.062 0.030 6 0 "[ . 1 .]"
1 46 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 47 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 48 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 49 VAL 0.659 0.048 15 0 "[ . 1 .]"
1 50 ALA 0.601 0.048 15 0 "[ . 1 .]"
1 51 SER 0.202 0.027 6 0 "[ . 1 .]"
1 52 HIS 0.132 0.022 11 0 "[ . 1 .]"
1 53 LEU 0.374 0.027 6 0 "[ . 1 .]"
1 54 GLN 0.081 0.055 5 0 "[ . 1 .]"
1 55 LYS 0.218 0.051 8 0 "[ . 1 .]"
1 56 PHE 1.242 0.087 15 0 "[ . 1 .]"
1 57 ARG 1.055 0.077 12 0 "[ . 1 .]"
1 58 VAL 0.242 0.024 1 0 "[ . 1 .]"
1 59 ALA 1.185 0.091 12 0 "[ . 1 .]"
1 60 LEU 0.877 0.077 12 0 "[ . 1 .]"
1 61 LYS 0.277 0.069 13 0 "[ . 1 .]"
1 62 LYS 0.410 0.091 12 0 "[ . 1 .]"
1 63 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 64 SER 0.000 0.000 . 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ALA HA 1 3 GLN H 2.000 . 2.700 2.427 2.190 2.654 . 0 0 "[ . 1 .]" 1
2 1 3 GLN HA 1 4 LYS H 2.000 . 2.700 2.369 2.197 2.707 0.007 10 0 "[ . 1 .]" 1
3 1 4 LYS H 1 4 LYS QB 2.000 . 6.500 2.702 2.191 3.416 . 0 0 "[ . 1 .]" 1
4 1 4 LYS HA 1 5 LYS H 2.000 . 2.700 2.520 2.185 2.739 0.039 9 0 "[ . 1 .]" 1
5 1 5 LYS H 1 5 LYS QB 2.000 . 5.000 2.731 2.282 3.382 . 0 0 "[ . 1 .]" 1
6 1 5 LYS H 1 5 LYS QG 2.000 . 6.500 3.584 1.859 4.468 . 0 0 "[ . 1 .]" 1
7 1 5 LYS QD 1 8 VAL HB 2.000 . 5.000 4.002 2.413 4.541 . 0 0 "[ . 1 .]" 1
8 1 5 LYS QG 1 8 VAL HB 2.000 . 5.000 4.206 3.898 4.524 . 0 0 "[ . 1 .]" 1
9 1 6 PRO HA 1 7 ARG H 2.000 . 2.700 2.263 2.215 2.353 . 0 0 "[ . 1 .]" 1
10 1 6 PRO QB 1 7 ARG H 2.000 . 5.000 3.277 2.876 3.605 . 0 0 "[ . 1 .]" 1
11 1 7 ARG H 1 7 ARG QB 2.000 . 5.000 2.834 2.228 3.401 . 0 0 "[ . 1 .]" 1
12 1 7 ARG H 1 7 ARG QG 2.000 . 5.000 2.856 1.848 4.103 . 0 0 "[ . 1 .]" 1
13 1 7 ARG H 1 8 VAL H 2.000 . 5.000 3.937 3.175 4.612 . 0 0 "[ . 1 .]" 1
14 1 7 ARG HA 1 8 VAL H 2.000 . 2.700 2.283 2.183 2.683 . 0 0 "[ . 1 .]" 1
15 1 7 ARG QB 1 8 VAL H 2.000 . 5.000 3.686 3.171 4.054 . 0 0 "[ . 1 .]" 1
16 1 7 ARG QG 1 8 VAL H 2.000 . 6.500 4.173 3.155 4.811 . 0 0 "[ . 1 .]" 1
17 1 8 VAL H 1 8 VAL HB 2.000 . 2.700 2.400 2.197 2.730 0.030 7 0 "[ . 1 .]" 1
18 1 8 VAL H 1 8 VAL MG1 2.000 . 6.500 3.680 3.589 3.802 . 0 0 "[ . 1 .]" 1
19 1 8 VAL H 1 8 VAL MG2 2.000 . 5.000 2.754 2.065 3.514 . 0 0 "[ . 1 .]" 1
20 1 8 VAL HA 1 8 VAL MG1 2.000 . 4.200 2.542 2.184 2.668 . 0 0 "[ . 1 .]" 1
21 1 8 VAL HA 1 8 VAL MG2 2.000 . 4.200 2.206 1.976 2.533 . 0 0 "[ . 1 .]" 1
22 1 8 VAL HA 1 9 LEU H 2.000 . 2.700 2.268 2.184 2.362 . 0 0 "[ . 1 .]" 1
23 1 8 VAL HB 1 9 LEU H 2.000 . 5.000 4.505 4.146 4.638 . 0 0 "[ . 1 .]" 1
24 1 8 VAL MG1 1 9 LEU H 2.000 . 5.000 3.255 2.617 3.570 . 0 0 "[ . 1 .]" 1
25 1 8 VAL MG1 1 10 TRP H 2.000 . 5.000 3.630 2.638 3.941 . 0 0 "[ . 1 .]" 1
26 1 8 VAL MG1 1 11 THR H 2.000 . 7.500 3.152 2.180 3.835 . 0 0 "[ . 1 .]" 1
27 1 8 VAL MG1 1 11 THR MG 2.000 . 6.500 3.471 1.793 4.275 0.007 2 0 "[ . 1 .]" 1
28 1 8 VAL MG1 1 14 LEU MD2 2.000 . 6.500 2.836 2.357 3.553 . 0 0 "[ . 1 .]" 1
29 1 8 VAL MG2 1 9 LEU H 2.000 . 6.500 4.073 3.562 4.330 . 0 0 "[ . 1 .]" 1
30 1 8 VAL MG2 1 14 LEU HA 2.000 . 6.500 5.317 5.236 5.369 . 0 0 "[ . 1 .]" 1
31 1 9 LEU H 1 9 LEU HB2 2.000 . 2.700 2.726 2.687 2.764 0.064 14 0 "[ . 1 .]" 1
32 1 9 LEU H 1 9 LEU HB3 2.000 . 2.700 2.702 2.590 2.786 0.086 13 0 "[ . 1 .]" 1
33 1 9 LEU H 1 9 LEU MD2 2.000 . 6.500 4.404 4.288 4.459 . 0 0 "[ . 1 .]" 1
34 1 9 LEU H 1 9 LEU HG 2.000 . 5.000 4.508 4.436 4.586 . 0 0 "[ . 1 .]" 1
35 1 9 LEU H 1 10 TRP H 2.000 . 2.700 2.134 1.904 2.497 . 0 0 "[ . 1 .]" 1
36 1 9 LEU HA 1 9 LEU HB2 2.000 . 2.700 2.572 2.522 2.605 . 0 0 "[ . 1 .]" 1
37 1 9 LEU HA 1 9 LEU MD1 2.000 . 4.200 2.142 1.808 2.475 . 0 0 "[ . 1 .]" 1
38 1 9 LEU HA 1 9 LEU MD2 2.000 . 6.500 3.783 3.722 3.834 . 0 0 "[ . 1 .]" 1
39 1 9 LEU HA 1 9 LEU HG 2.000 . 3.500 2.668 2.514 3.065 . 0 0 "[ . 1 .]" 1
40 1 9 LEU HA 1 10 TRP H 2.000 . 4.000 3.528 3.473 3.589 . 0 0 "[ . 1 .]" 1
41 1 9 LEU QB 1 10 TRP H 2.000 . 5.000 2.562 2.042 2.873 . 0 0 "[ . 1 .]" 1
42 1 9 LEU HB2 1 9 LEU MD1 2.000 . 4.200 2.195 2.021 2.406 . 0 0 "[ . 1 .]" 1
43 1 9 LEU HB2 1 9 LEU MD2 2.000 . 4.200 2.508 2.266 2.677 . 0 0 "[ . 1 .]" 1
44 1 9 LEU HB3 1 9 LEU MD1 2.000 . 5.000 3.160 3.116 3.195 . 0 0 "[ . 1 .]" 1
45 1 9 LEU HB3 1 9 LEU MD2 2.000 . 4.200 2.188 2.026 2.437 . 0 0 "[ . 1 .]" 1
46 1 9 LEU HB3 1 9 LEU HG 2.000 . 2.700 2.573 2.420 2.666 . 0 0 "[ . 1 .]" 1
47 1 9 LEU MD1 1 10 TRP H 2.000 . 6.500 4.671 4.182 4.844 . 0 0 "[ . 1 .]" 1
48 1 9 LEU MD1 1 44 LEU QD 2.000 . 8.000 3.174 2.089 4.372 . 0 0 "[ . 1 .]" 1
49 1 9 LEU MD2 1 10 TRP H 2.000 . 6.500 4.309 3.706 4.644 . 0 0 "[ . 1 .]" 1
50 1 10 TRP H 1 10 TRP HB2 2.000 . 3.500 2.980 2.856 3.095 . 0 0 "[ . 1 .]" 1
51 1 10 TRP H 1 10 TRP HD1 2.000 . 5.000 4.745 4.424 5.008 0.008 4 0 "[ . 1 .]" 1
52 1 10 TRP H 1 11 THR H 2.000 . 5.000 2.907 2.639 3.244 . 0 0 "[ . 1 .]" 1
53 1 10 TRP HA 1 10 TRP HB3 2.000 . 2.700 2.641 2.507 2.681 . 0 0 "[ . 1 .]" 1
54 1 10 TRP HA 1 10 TRP HE3 2.000 . 4.000 2.115 1.858 2.404 . 0 0 "[ . 1 .]" 1
55 1 10 TRP HA 1 11 THR H 2.000 . 2.700 2.494 2.396 2.604 . 0 0 "[ . 1 .]" 1
56 1 10 TRP HA 1 14 LEU H 2.000 . 5.000 4.740 4.494 5.083 0.083 13 0 "[ . 1 .]" 1
57 1 10 TRP HB3 1 10 TRP HE3 2.000 . 4.000 3.111 2.990 3.240 . 0 0 "[ . 1 .]" 1
58 1 10 TRP HB3 1 11 THR H 2.000 . 5.000 4.268 4.189 4.343 . 0 0 "[ . 1 .]" 1
59 1 10 TRP HH2 1 39 MET ME 2.000 . 5.000 3.058 2.361 3.717 . 0 0 "[ . 1 .]" 1
60 1 10 TRP HH2 1 44 LEU QD 2.000 . 8.000 4.384 3.787 5.016 . 0 0 "[ . 1 .]" 1
61 1 10 TRP HH2 1 49 VAL HA 2.000 . 5.000 3.981 2.851 4.719 . 0 0 "[ . 1 .]" 1
62 1 10 TRP HH2 1 49 VAL MG2 2.000 . 6.500 2.965 1.889 4.064 . 0 0 "[ . 1 .]" 1
63 1 10 TRP HZ2 1 44 LEU QD 2.000 . 6.500 3.968 3.276 4.826 . 0 0 "[ . 1 .]" 1
64 1 10 TRP HZ2 1 49 VAL HA 2.000 . 3.000 2.573 1.870 2.976 . 0 0 "[ . 1 .]" 1
65 1 11 THR H 1 11 THR MG 2.000 . 4.200 2.799 2.287 3.179 . 0 0 "[ . 1 .]" 1
66 1 11 THR H 1 14 LEU H 2.000 . 5.000 2.938 2.713 3.396 . 0 0 "[ . 1 .]" 1
67 1 11 THR H 1 14 LEU HB2 2.000 . 3.500 2.011 1.888 2.428 . 0 0 "[ . 1 .]" 1
68 1 11 THR H 1 14 LEU HB3 2.000 . 3.500 3.536 3.519 3.579 0.079 10 0 "[ . 1 .]" 1
69 1 11 THR H 1 14 LEU MD1 2.000 . 6.500 2.952 2.316 4.023 . 0 0 "[ . 1 .]" 1
70 1 11 THR H 1 14 LEU MD2 2.000 . 6.500 4.672 4.418 5.114 . 0 0 "[ . 1 .]" 1
71 1 11 THR HA 1 11 THR HB 2.000 . 2.700 2.523 2.395 2.656 . 0 0 "[ . 1 .]" 1
72 1 11 THR HA 1 11 THR MG 2.000 . 4.200 2.298 2.175 2.470 . 0 0 "[ . 1 .]" 1
73 1 11 THR HB 1 13 GLU H 2.000 . 3.500 2.828 2.553 3.143 . 0 0 "[ . 1 .]" 1
74 1 11 THR MG 1 13 GLU H 2.000 . 6.500 4.210 4.090 4.274 . 0 0 "[ . 1 .]" 1
75 1 12 HIS HA 1 12 HIS HB2 2.000 . 3.000 2.725 2.420 3.030 0.030 5 0 "[ . 1 .]" 1
76 1 12 HIS HA 1 12 HIS HB3 2.000 . 3.000 2.745 2.344 3.029 0.029 12 0 "[ . 1 .]" 1
77 1 12 HIS HA 1 15 HIS H 2.000 . 5.000 3.700 3.384 4.722 . 0 0 "[ . 1 .]" 1
78 1 12 HIS HA 1 15 HIS HB3 2.000 . 3.500 2.863 2.635 3.250 . 0 0 "[ . 1 .]" 1
79 1 13 GLU H 1 13 GLU HB2 2.000 . 2.700 2.430 2.354 2.526 . 0 0 "[ . 1 .]" 1
80 1 13 GLU H 1 13 GLU HB3 2.000 . 2.700 2.712 2.646 2.741 0.041 11 0 "[ . 1 .]" 1
81 1 13 GLU H 1 13 GLU QG 2.000 . 6.500 4.008 3.931 4.080 . 0 0 "[ . 1 .]" 1
82 1 13 GLU H 1 14 LEU H 2.000 . 2.700 2.662 2.458 2.719 0.019 7 0 "[ . 1 .]" 1
83 1 13 GLU HA 1 13 GLU HB2 2.000 . 2.700 2.582 2.549 2.604 . 0 0 "[ . 1 .]" 1
84 1 13 GLU HA 1 13 GLU QG 2.000 . 5.000 2.268 2.112 2.613 . 0 0 "[ . 1 .]" 1
85 1 13 GLU HA 1 14 LEU H 2.000 . 4.000 3.578 3.561 3.588 . 0 0 "[ . 1 .]" 1
86 1 13 GLU HA 1 16 ASN H 2.000 . 5.000 3.586 3.349 4.340 . 0 0 "[ . 1 .]" 1
87 1 13 GLU HA 1 16 ASN HB2 2.000 . 3.500 3.252 3.093 3.449 . 0 0 "[ . 1 .]" 1
88 1 13 GLU HA 1 16 ASN HB3 2.000 . 5.000 4.838 4.734 5.004 0.004 8 0 "[ . 1 .]" 1
89 1 13 GLU HB2 1 13 GLU QG 2.000 . 4.000 2.381 2.169 2.548 . 0 0 "[ . 1 .]" 1
90 1 13 GLU HB2 1 14 LEU H 2.000 . 3.500 3.528 3.492 3.566 0.066 13 0 "[ . 1 .]" 1
91 1 13 GLU HB3 1 13 GLU QG 2.000 . 4.000 2.319 2.169 2.546 . 0 0 "[ . 1 .]" 1
92 1 13 GLU HB3 1 14 LEU H 2.000 . 3.500 2.220 2.077 2.404 . 0 0 "[ . 1 .]" 1
93 1 13 GLU QG 1 14 LEU H 2.000 . 6.500 3.739 3.391 4.089 . 0 0 "[ . 1 .]" 1
94 1 14 LEU H 1 14 LEU QB 2.000 . 4.200 2.199 2.168 2.399 . 0 0 "[ . 1 .]" 1
95 1 14 LEU H 1 14 LEU MD1 2.000 . 6.500 3.835 3.627 4.028 . 0 0 "[ . 1 .]" 1
96 1 14 LEU H 1 14 LEU MD2 2.000 . 6.500 3.752 3.234 3.933 . 0 0 "[ . 1 .]" 1
97 1 14 LEU H 1 15 HIS H 2.000 . 2.700 2.666 2.612 2.720 0.020 14 0 "[ . 1 .]" 1
98 1 14 LEU H 1 15 HIS QB 2.000 . 6.500 4.417 4.253 4.504 . 0 0 "[ . 1 .]" 1
99 1 14 LEU HA 1 15 HIS H 2.000 . 5.000 3.472 3.444 3.584 . 0 0 "[ . 1 .]" 1
100 1 14 LEU HA 1 17 LYS H 2.000 . 3.500 3.483 3.344 3.553 0.053 2 0 "[ . 1 .]" 1
101 1 14 LEU HA 1 17 LYS HB2 2.000 . 3.500 3.398 2.907 3.515 0.015 13 0 "[ . 1 .]" 1
102 1 14 LEU HA 1 18 PHE H 2.000 . 5.000 4.303 3.847 4.698 . 0 0 "[ . 1 .]" 1
103 1 14 LEU QB 1 15 HIS H 2.000 . 6.500 2.948 2.387 3.073 . 0 0 "[ . 1 .]" 1
104 1 14 LEU MD1 1 39 MET ME 2.000 . 6.500 3.537 2.753 4.219 . 0 0 "[ . 1 .]" 1
105 1 14 LEU MD1 1 41 VAL MG1 2.000 . 8.000 3.577 2.466 4.207 . 0 0 "[ . 1 .]" 1
106 1 14 LEU MD1 1 41 VAL MG2 2.000 . 6.500 3.945 3.052 4.244 . 0 0 "[ . 1 .]" 1
107 1 14 LEU MD2 1 39 MET ME 2.000 . 5.700 2.339 1.766 3.457 0.034 9 0 "[ . 1 .]" 1
108 1 14 LEU MD2 1 41 VAL MG2 2.000 . 5.700 2.668 1.950 3.164 . 0 0 "[ . 1 .]" 1
109 1 15 HIS H 1 15 HIS HB2 2.000 . 2.700 2.475 2.433 2.574 . 0 0 "[ . 1 .]" 1
110 1 15 HIS H 1 15 HIS HB3 2.000 . 2.700 2.682 2.595 2.718 0.018 11 0 "[ . 1 .]" 1
111 1 15 HIS H 1 16 ASN H 2.000 . 2.700 2.507 2.405 2.830 0.130 6 0 "[ . 1 .]" 1
112 1 15 HIS HA 1 15 HIS HB2 2.000 . 2.700 2.556 2.500 2.589 . 0 0 "[ . 1 .]" 1
113 1 15 HIS HA 1 18 PHE H 2.000 . 3.500 3.445 3.266 3.511 0.011 5 0 "[ . 1 .]" 1
114 1 15 HIS HA 1 18 PHE HB3 2.000 . 3.500 2.716 2.449 3.007 . 0 0 "[ . 1 .]" 1
115 1 15 HIS HB2 1 16 ASN H 2.000 . 5.000 3.947 3.845 4.072 . 0 0 "[ . 1 .]" 1
116 1 15 HIS HB3 1 16 ASN H 2.000 . 3.500 2.928 2.677 3.051 . 0 0 "[ . 1 .]" 1
117 1 16 ASN H 1 16 ASN HB2 2.000 . 2.700 2.295 2.206 2.503 . 0 0 "[ . 1 .]" 1
118 1 16 ASN H 1 17 LYS H 2.000 . 2.700 2.563 2.460 2.708 0.008 6 0 "[ . 1 .]" 1
119 1 16 ASN H 1 17 LYS QD 2.000 . 6.500 5.533 5.202 5.804 . 0 0 "[ . 1 .]" 1
120 1 16 ASN H 1 17 LYS QG 2.000 . 6.500 3.961 3.703 4.333 . 0 0 "[ . 1 .]" 1
121 1 16 ASN H 1 18 PHE H 2.000 . 5.000 4.068 3.771 4.293 . 0 0 "[ . 1 .]" 1
122 1 16 ASN HA 1 16 ASN HB3 2.000 . 2.700 2.603 2.475 2.675 . 0 0 "[ . 1 .]" 1
123 1 16 ASN HA 1 17 LYS H 2.000 . 5.000 3.538 3.490 3.576 . 0 0 "[ . 1 .]" 1
124 1 16 ASN HA 1 19 LEU H 2.000 . 3.500 3.509 3.340 3.543 0.043 8 0 "[ . 1 .]" 1
125 1 16 ASN HA 1 19 LEU HB2 2.000 . 3.500 2.606 2.365 2.798 . 0 0 "[ . 1 .]" 1
126 1 16 ASN HA 1 19 LEU HB3 2.000 . 5.000 4.105 3.743 4.398 . 0 0 "[ . 1 .]" 1
127 1 16 ASN HA 1 19 LEU MD1 2.000 . 5.000 2.978 2.412 3.300 . 0 0 "[ . 1 .]" 1
128 1 16 ASN HA 1 20 ALA H 2.000 . 5.000 4.083 3.899 4.304 . 0 0 "[ . 1 .]" 1
129 1 16 ASN HB2 1 17 LYS H 2.000 . 3.500 2.843 2.646 3.003 . 0 0 "[ . 1 .]" 1
130 1 16 ASN HB3 1 17 LYS H 2.000 . 5.000 3.540 3.121 3.964 . 0 0 "[ . 1 .]" 1
131 1 17 LYS H 1 17 LYS HB2 2.000 . 2.700 2.562 2.410 2.681 . 0 0 "[ . 1 .]" 1
132 1 17 LYS H 1 17 LYS QD 2.000 . 6.500 3.800 3.457 4.048 . 0 0 "[ . 1 .]" 1
133 1 17 LYS H 1 17 LYS HG2 2.000 . 3.500 3.278 2.840 3.507 0.007 2 0 "[ . 1 .]" 1
134 1 17 LYS H 1 17 LYS HG3 2.000 . 3.500 2.127 1.873 2.446 . 0 0 "[ . 1 .]" 1
135 1 17 LYS H 1 18 PHE H 2.000 . 2.700 2.514 2.398 2.637 . 0 0 "[ . 1 .]" 1
136 1 17 LYS H 1 20 ALA H 2.000 . 6.000 4.776 4.592 4.936 . 0 0 "[ . 1 .]" 1
137 1 17 LYS H 1 21 ALA H 2.000 . 6.000 6.000 5.924 6.053 0.053 10 0 "[ . 1 .]" 1
138 1 17 LYS H 1 39 MET ME 2.000 . 6.500 4.591 3.569 5.245 . 0 0 "[ . 1 .]" 1
139 1 17 LYS HA 1 17 LYS HB3 2.000 . 2.700 2.444 2.390 2.523 . 0 0 "[ . 1 .]" 1
140 1 17 LYS HA 1 17 LYS HG2 2.000 . 2.700 2.535 2.345 2.703 0.003 1 0 "[ . 1 .]" 1
141 1 17 LYS HA 1 17 LYS HG3 2.000 . 3.500 3.150 2.932 3.457 . 0 0 "[ . 1 .]" 1
142 1 17 LYS HA 1 18 PHE H 2.000 . 5.000 3.548 3.513 3.572 . 0 0 "[ . 1 .]" 1
143 1 17 LYS HA 1 20 ALA H 2.000 . 3.500 3.519 3.465 3.552 0.052 13 0 "[ . 1 .]" 1
144 1 17 LYS HA 1 20 ALA MB 2.000 . 4.200 3.065 2.849 3.253 . 0 0 "[ . 1 .]" 1
145 1 17 LYS HA 1 21 ALA H 2.000 . 5.000 4.158 4.004 4.313 . 0 0 "[ . 1 .]" 1
146 1 17 LYS HB2 1 17 LYS HG3 2.000 . 2.700 2.456 2.343 2.564 . 0 0 "[ . 1 .]" 1
147 1 17 LYS HB2 1 18 PHE H 2.000 . 2.700 2.611 2.399 2.722 0.022 8 0 "[ . 1 .]" 1
148 1 17 LYS HB2 1 39 MET ME 2.000 . 5.000 3.020 1.924 4.011 . 0 0 "[ . 1 .]" 1
149 1 17 LYS HB3 1 17 LYS HG2 2.000 . 2.700 2.488 2.383 2.622 . 0 0 "[ . 1 .]" 1
150 1 17 LYS HB3 1 18 PHE H 2.000 . 4.000 3.750 3.511 3.928 . 0 0 "[ . 1 .]" 1
151 1 17 LYS HB3 1 39 MET ME 2.000 . 6.500 3.952 2.356 5.178 . 0 0 "[ . 1 .]" 1
152 1 17 LYS HD2 1 41 VAL MG2 2.000 . 5.000 4.084 3.748 4.234 . 0 0 "[ . 1 .]" 1
153 1 17 LYS HD3 1 41 VAL MG2 2.000 . 5.000 4.034 3.267 4.252 . 0 0 "[ . 1 .]" 1
154 1 18 PHE H 1 18 PHE HB2 2.000 . 2.700 2.670 2.475 2.731 0.031 4 0 "[ . 1 .]" 1
155 1 18 PHE H 1 18 PHE HB3 2.000 . 2.700 2.462 2.389 2.627 . 0 0 "[ . 1 .]" 1
156 1 18 PHE H 1 19 LEU H 2.000 . 2.700 2.524 2.446 2.608 . 0 0 "[ . 1 .]" 1
157 1 18 PHE H 1 39 MET ME 2.000 . 5.500 3.295 2.179 3.996 . 0 0 "[ . 1 .]" 1
158 1 18 PHE HA 1 18 PHE HB2 2.000 . 2.700 2.448 2.404 2.532 . 0 0 "[ . 1 .]" 1
159 1 18 PHE HA 1 18 PHE HD1 2.000 . 4.000 2.764 2.055 4.085 0.085 15 0 "[ . 1 .]" 1
160 1 18 PHE HA 1 19 LEU H 2.000 . 4.000 3.486 3.472 3.528 . 0 0 "[ . 1 .]" 1
161 1 18 PHE HA 1 21 ALA H 2.000 . 3.500 3.485 3.386 3.525 0.025 11 0 "[ . 1 .]" 1
162 1 18 PHE HA 1 21 ALA MB 2.000 . 5.000 2.515 2.324 2.767 . 0 0 "[ . 1 .]" 1
163 1 18 PHE HA 1 35 ILE MG 2.000 . 5.000 3.192 2.766 3.519 . 0 0 "[ . 1 .]" 1
164 1 18 PHE HA 1 39 MET ME 2.000 . 5.000 3.398 2.337 4.075 . 0 0 "[ . 1 .]" 1
165 1 18 PHE HB2 1 18 PHE HD1 2.000 . 3.000 2.878 2.522 3.703 0.703 10 3 "[ . + -*]" 1
166 1 18 PHE HB2 1 19 LEU H 2.000 . 5.000 4.131 3.987 4.215 . 0 0 "[ . 1 .]" 1
167 1 18 PHE HB2 1 39 MET ME 2.000 . 5.000 2.229 1.837 2.703 . 0 0 "[ . 1 .]" 1
168 1 18 PHE HB3 1 18 PHE HD2 2.000 . 3.000 2.606 2.323 3.681 0.681 14 3 "[ . - +*]" 1
169 1 18 PHE HB3 1 19 LEU H 2.000 . 3.500 3.000 2.790 3.071 . 0 0 "[ . 1 .]" 1
170 1 18 PHE HB3 1 39 MET ME 2.000 . 6.500 3.596 2.930 4.215 . 0 0 "[ . 1 .]" 1
171 1 18 PHE QD 1 19 LEU H 2.000 . 5.000 3.968 3.387 4.319 . 0 0 "[ . 1 .]" 1
172 1 18 PHE QD 1 35 ILE MG 2.000 . 5.700 2.265 1.886 2.518 . 0 0 "[ . 1 .]" 1
173 1 18 PHE QD 1 49 VAL MG1 2.000 . 8.000 2.977 2.040 3.703 . 0 0 "[ . 1 .]" 1
174 1 19 LEU H 1 19 LEU HB2 2.000 . 2.700 2.249 2.199 2.392 . 0 0 "[ . 1 .]" 1
175 1 19 LEU H 1 19 LEU HB3 2.000 . 4.500 3.548 3.516 3.627 . 0 0 "[ . 1 .]" 1
176 1 19 LEU H 1 19 LEU MD1 2.000 . 6.500 3.710 3.385 3.902 . 0 0 "[ . 1 .]" 1
177 1 19 LEU H 1 19 LEU MD2 2.000 . 6.500 3.957 3.820 4.217 . 0 0 "[ . 1 .]" 1
178 1 19 LEU H 1 19 LEU HG 2.000 . 3.500 2.913 2.537 3.142 . 0 0 "[ . 1 .]" 1
179 1 19 LEU H 1 20 ALA H 2.000 . 2.700 2.487 2.409 2.657 . 0 0 "[ . 1 .]" 1
180 1 19 LEU H 1 39 MET ME 2.000 . 7.500 5.233 4.098 5.927 . 0 0 "[ . 1 .]" 1
181 1 19 LEU HA 1 19 LEU HB3 2.000 . 2.700 2.638 2.534 2.675 . 0 0 "[ . 1 .]" 1
182 1 19 LEU HA 1 19 LEU MD2 2.000 . 4.200 2.036 1.822 2.266 . 0 0 "[ . 1 .]" 1
183 1 19 LEU HA 1 19 LEU HG 2.000 . 3.500 2.621 2.337 2.751 . 0 0 "[ . 1 .]" 1
184 1 19 LEU HA 1 20 ALA H 2.000 . 5.000 3.559 3.535 3.578 . 0 0 "[ . 1 .]" 1
185 1 19 LEU HA 1 21 ALA H 2.000 . 6.000 4.131 4.056 4.271 . 0 0 "[ . 1 .]" 1
186 1 19 LEU HA 1 22 VAL H 2.000 . 3.500 3.549 3.515 3.583 0.083 3 0 "[ . 1 .]" 1
187 1 19 LEU HA 1 22 VAL HB 2.000 . 3.500 3.206 3.083 3.334 . 0 0 "[ . 1 .]" 1
188 1 19 LEU HA 1 22 VAL MG2 2.000 . 6.500 2.904 2.524 3.232 . 0 0 "[ . 1 .]" 1
189 1 19 LEU HB2 1 19 LEU MD1 2.000 . 4.200 2.311 2.107 2.438 . 0 0 "[ . 1 .]" 1
190 1 19 LEU HB2 1 19 LEU MD2 2.000 . 5.000 3.174 3.147 3.193 . 0 0 "[ . 1 .]" 1
191 1 19 LEU HB2 1 19 LEU HG 2.000 . 2.700 2.536 2.455 2.649 . 0 0 "[ . 1 .]" 1
192 1 19 LEU HB2 1 20 ALA H 2.000 . 3.500 2.785 2.559 2.952 . 0 0 "[ . 1 .]" 1
193 1 19 LEU HB3 1 19 LEU MD1 2.000 . 4.200 2.401 2.238 2.565 . 0 0 "[ . 1 .]" 1
194 1 19 LEU HB3 1 19 LEU MD2 2.000 . 4.200 2.230 2.109 2.346 . 0 0 "[ . 1 .]" 1
195 1 19 LEU HB3 1 20 ALA H 2.000 . 3.500 3.390 3.203 3.500 0.000 14 0 "[ . 1 .]" 1
196 1 19 LEU MD1 1 20 ALA H 2.000 . 6.500 4.628 4.319 4.790 . 0 0 "[ . 1 .]" 1
197 1 19 LEU MD2 1 20 ALA H 2.000 . 7.500 4.622 4.460 4.720 . 0 0 "[ . 1 .]" 1
198 1 20 ALA H 1 20 ALA MB 2.000 . 4.200 2.172 2.072 2.279 . 0 0 "[ . 1 .]" 1
199 1 20 ALA H 1 21 ALA H 2.000 . 2.700 2.455 2.399 2.574 . 0 0 "[ . 1 .]" 1
200 1 20 ALA H 1 21 ALA MB 2.000 . 6.500 4.135 4.057 4.265 . 0 0 "[ . 1 .]" 1
201 1 20 ALA H 1 22 VAL H 2.000 . 5.000 4.191 4.141 4.290 . 0 0 "[ . 1 .]" 1
202 1 20 ALA H 1 23 ASP H 2.000 . 5.000 4.809 4.711 4.913 . 0 0 "[ . 1 .]" 1
203 1 20 ALA HA 1 21 ALA H 2.000 . 5.000 3.476 3.453 3.518 . 0 0 "[ . 1 .]" 1
204 1 20 ALA HA 1 23 ASP H 2.000 . 3.500 3.559 3.533 3.578 0.078 3 0 "[ . 1 .]" 1
205 1 20 ALA HA 1 23 ASP HB2 2.000 . 3.500 3.269 3.104 3.423 . 0 0 "[ . 1 .]" 1
206 1 20 ALA HA 1 23 ASP HB3 2.000 . 3.500 2.812 2.678 3.041 . 0 0 "[ . 1 .]" 1
207 1 20 ALA MB 1 21 ALA H 2.000 . 4.200 2.904 2.730 3.004 . 0 0 "[ . 1 .]" 1
208 1 21 ALA H 1 21 ALA MB 2.000 . 4.200 2.180 2.068 2.285 . 0 0 "[ . 1 .]" 1
209 1 21 ALA H 1 22 VAL H 2.000 . 2.700 2.493 2.439 2.577 . 0 0 "[ . 1 .]" 1
210 1 21 ALA HA 1 22 VAL H 2.000 . 5.000 3.556 3.549 3.567 . 0 0 "[ . 1 .]" 1
211 1 21 ALA HA 1 24 HIS H 2.000 . 3.500 3.544 3.513 3.560 0.060 12 0 "[ . 1 .]" 1
212 1 21 ALA HA 1 24 HIS QB 2.000 . 4.200 2.643 2.514 2.761 . 0 0 "[ . 1 .]" 1
213 1 21 ALA MB 1 22 VAL H 2.000 . 5.000 2.568 2.467 2.679 . 0 0 "[ . 1 .]" 1
214 1 21 ALA MB 1 25 LEU MD1 2.000 . 6.500 2.930 2.422 3.342 . 0 0 "[ . 1 .]" 1
215 1 21 ALA MB 1 35 ILE HA 2.000 . 5.000 3.355 3.109 3.616 . 0 0 "[ . 1 .]" 1
216 1 21 ALA MB 1 35 ILE MG 2.000 . 5.700 2.017 1.766 2.297 0.034 15 0 "[ . 1 .]" 1
217 1 21 ALA MB 1 38 LEU MD1 2.000 . 8.000 1.792 1.670 2.060 0.130 15 0 "[ . 1 .]" 1
218 1 21 ALA MB 1 38 LEU MD2 2.000 . 6.500 2.205 1.820 3.062 . 0 0 "[ . 1 .]" 1
219 1 21 ALA MB 1 39 MET HG2 2.000 . 6.500 4.102 3.721 4.811 . 0 0 "[ . 1 .]" 1
220 1 21 ALA MB 1 39 MET HG3 2.000 . 6.500 4.768 3.538 5.424 . 0 0 "[ . 1 .]" 1
221 1 22 VAL H 1 22 VAL HB 2.000 . 2.700 2.632 2.591 2.667 . 0 0 "[ . 1 .]" 1
222 1 22 VAL H 1 22 VAL MG1 2.000 . 6.500 3.759 3.750 3.770 . 0 0 "[ . 1 .]" 1
223 1 22 VAL H 1 22 VAL MG2 2.000 . 4.200 1.907 1.847 1.959 . 0 0 "[ . 1 .]" 1
224 1 22 VAL H 1 23 ASP H 2.000 . 2.700 2.608 2.538 2.701 0.001 10 0 "[ . 1 .]" 1
225 1 22 VAL H 1 23 ASP QB 2.000 . 6.500 4.310 4.242 4.405 . 0 0 "[ . 1 .]" 1
226 1 22 VAL H 1 35 ILE MG 2.000 . 7.500 4.025 3.912 4.095 . 0 0 "[ . 1 .]" 1
227 1 22 VAL HA 1 22 VAL MG1 2.000 . 4.200 2.270 2.163 2.364 . 0 0 "[ . 1 .]" 1
228 1 22 VAL HA 1 22 VAL MG2 2.000 . 4.200 2.494 2.466 2.509 . 0 0 "[ . 1 .]" 1
229 1 22 VAL HA 1 23 ASP H 2.000 . 5.000 3.545 3.522 3.556 . 0 0 "[ . 1 .]" 1
230 1 22 VAL HA 1 25 LEU H 2.000 . 3.500 3.502 3.427 3.542 0.042 6 0 "[ . 1 .]" 1
231 1 22 VAL HA 1 25 LEU MD1 2.000 . 3.500 2.706 2.509 2.787 . 0 0 "[ . 1 .]" 1
232 1 22 VAL HA 1 26 GLY H 2.000 . 5.000 4.467 4.376 4.528 . 0 0 "[ . 1 .]" 1
233 1 22 VAL HA 1 30 ALA MB 2.000 . 5.000 2.320 1.938 2.678 . 0 0 "[ . 1 .]" 1
234 1 22 VAL HB 1 23 ASP H 2.000 . 3.500 2.361 2.333 2.407 . 0 0 "[ . 1 .]" 1
235 1 22 VAL MG1 1 23 ASP H 2.000 . 4.200 3.534 3.495 3.580 . 0 0 "[ . 1 .]" 1
236 1 22 VAL MG1 1 27 VAL H 2.000 . 6.500 3.289 2.959 3.780 . 0 0 "[ . 1 .]" 1
237 1 22 VAL MG1 1 27 VAL HA 2.000 . 4.200 1.958 1.752 2.300 0.048 7 0 "[ . 1 .]" 1
238 1 22 VAL MG1 1 27 VAL HB 2.000 . 5.000 2.423 2.017 2.929 . 0 0 "[ . 1 .]" 1
239 1 22 VAL MG1 1 30 ALA MB 2.000 . 5.700 1.876 1.708 2.341 0.092 12 0 "[ . 1 .]" 1
240 1 22 VAL MG2 1 23 ASP H 2.000 . 4.200 3.580 3.557 3.608 . 0 0 "[ . 1 .]" 1
241 1 22 VAL MG2 1 30 ALA MB 2.000 . 8.000 3.197 2.941 3.724 . 0 0 "[ . 1 .]" 1
242 1 22 VAL MG2 1 35 ILE MD 2.000 . 6.500 1.792 1.645 1.925 0.155 12 0 "[ . 1 .]" 1
243 1 22 VAL MG2 1 35 ILE MG 2.000 . 8.000 2.955 2.778 3.227 . 0 0 "[ . 1 .]" 1
244 1 23 ASP H 1 23 ASP HB2 2.000 . 2.700 2.277 2.246 2.306 . 0 0 "[ . 1 .]" 1
245 1 23 ASP H 1 23 ASP HB3 2.000 . 2.700 2.786 2.769 2.807 0.107 6 0 "[ . 1 .]" 1
246 1 23 ASP H 1 24 HIS H 2.000 . 2.700 2.713 2.697 2.736 0.036 15 0 "[ . 1 .]" 1
247 1 23 ASP H 1 24 HIS QB 2.000 . 6.500 4.467 4.429 4.490 . 0 0 "[ . 1 .]" 1
248 1 23 ASP H 1 25 LEU H 2.000 . 5.000 4.003 3.939 4.075 . 0 0 "[ . 1 .]" 1
249 1 23 ASP H 1 35 ILE MG 2.000 . 7.500 6.130 6.094 6.153 . 0 0 "[ . 1 .]" 1
250 1 23 ASP HA 1 23 ASP HB2 2.000 . 2.700 2.599 2.588 2.612 . 0 0 "[ . 1 .]" 1
251 1 23 ASP HA 1 24 HIS H 2.000 . 5.000 3.549 3.542 3.556 . 0 0 "[ . 1 .]" 1
252 1 23 ASP HA 1 26 GLY H 2.000 . 3.500 3.012 2.859 3.165 . 0 0 "[ . 1 .]" 1
253 1 23 ASP HB2 1 24 HIS H 2.000 . 3.500 3.595 3.586 3.607 0.107 12 0 "[ . 1 .]" 1
254 1 23 ASP HB3 1 24 HIS H 2.000 . 5.000 2.470 2.416 2.543 . 0 0 "[ . 1 .]" 1
255 1 24 HIS H 1 24 HIS HB2 2.000 . 2.700 2.547 2.412 2.675 . 0 0 "[ . 1 .]" 1
256 1 24 HIS H 1 24 HIS HB3 2.000 . 2.700 2.569 2.448 2.705 0.005 13 0 "[ . 1 .]" 1
257 1 24 HIS H 1 25 LEU H 2.000 . 2.700 2.706 2.679 2.729 0.029 4 0 "[ . 1 .]" 1
258 1 24 HIS H 1 26 GLY H 2.000 . 6.000 3.932 3.870 3.982 . 0 0 "[ . 1 .]" 1
259 1 24 HIS HA 1 24 HIS QB 2.000 . 3.500 2.366 2.318 2.418 . 0 0 "[ . 1 .]" 1
260 1 24 HIS HA 1 25 LEU H 2.000 . 5.000 3.486 3.476 3.502 . 0 0 "[ . 1 .]" 1
261 1 24 HIS QB 1 25 LEU H 2.000 . 4.200 2.930 2.839 2.971 . 0 0 "[ . 1 .]" 1
262 1 24 HIS QB 1 26 GLY H 2.000 . 6.500 4.641 4.566 4.694 . 0 0 "[ . 1 .]" 1
263 1 25 LEU H 1 25 LEU HB2 2.000 . 2.700 2.723 2.687 2.740 0.040 13 0 "[ . 1 .]" 1
264 1 25 LEU H 1 25 LEU HB3 2.000 . 4.500 3.757 3.739 3.768 . 0 0 "[ . 1 .]" 1
265 1 25 LEU H 1 25 LEU MD1 2.000 . 6.500 3.282 3.217 3.337 . 0 0 "[ . 1 .]" 1
266 1 25 LEU H 1 25 LEU MD2 2.000 . 6.500 3.782 3.738 3.809 . 0 0 "[ . 1 .]" 1
267 1 25 LEU H 1 25 LEU HG 2.000 . 2.700 2.285 2.234 2.316 . 0 0 "[ . 1 .]" 1
268 1 25 LEU H 1 26 GLY H 2.000 . 2.700 2.137 2.112 2.167 . 0 0 "[ . 1 .]" 1
269 1 25 LEU HA 1 25 LEU HB3 2.000 . 2.700 2.378 2.369 2.389 . 0 0 "[ . 1 .]" 1
270 1 25 LEU HA 1 25 LEU MD1 2.000 . 6.500 3.945 3.931 3.952 . 0 0 "[ . 1 .]" 1
271 1 25 LEU HA 1 25 LEU MD2 2.000 . 4.200 2.463 2.312 2.592 . 0 0 "[ . 1 .]" 1
272 1 25 LEU HA 1 25 LEU HG 2.000 . 3.500 2.911 2.866 2.937 . 0 0 "[ . 1 .]" 1
273 1 25 LEU HA 1 26 GLY H 2.000 . 5.000 3.350 3.320 3.384 . 0 0 "[ . 1 .]" 1
274 1 25 LEU HB2 1 25 LEU MD1 2.000 . 4.200 2.024 1.966 2.183 . 0 0 "[ . 1 .]" 1
275 1 25 LEU HB2 1 25 LEU MD2 2.000 . 5.000 3.123 3.110 3.144 . 0 0 "[ . 1 .]" 1
276 1 25 LEU HB2 1 25 LEU HG 2.000 . 2.700 2.670 2.647 2.674 . 0 0 "[ . 1 .]" 1
277 1 25 LEU HB2 1 26 GLY H 2.000 . 3.500 3.429 3.328 3.502 0.002 3 0 "[ . 1 .]" 1
278 1 25 LEU HB2 1 30 ALA HA 2.000 . 3.500 2.722 2.453 2.912 . 0 0 "[ . 1 .]" 1
279 1 25 LEU HB2 1 30 ALA MB 2.000 . 5.000 2.167 1.857 2.521 . 0 0 "[ . 1 .]" 1
280 1 25 LEU HB3 1 25 LEU MD1 2.000 . 4.200 2.646 2.581 2.686 . 0 0 "[ . 1 .]" 1
281 1 25 LEU HB3 1 25 LEU MD2 2.000 . 4.200 2.118 1.998 2.206 . 0 0 "[ . 1 .]" 1
282 1 25 LEU HB3 1 26 GLY H 2.000 . 5.000 4.365 4.301 4.402 . 0 0 "[ . 1 .]" 1
283 1 25 LEU HB3 1 30 ALA HA 2.000 . 3.500 3.074 2.814 3.399 . 0 0 "[ . 1 .]" 1
284 1 25 LEU HB3 1 30 ALA MB 2.000 . 6.500 3.450 2.955 3.822 . 0 0 "[ . 1 .]" 1
285 1 25 LEU MD1 1 26 GLY H 2.000 . 6.500 4.636 4.579 4.676 . 0 0 "[ . 1 .]" 1
286 1 25 LEU MD1 1 30 ALA HA 2.000 . 4.200 3.085 2.657 3.257 . 0 0 "[ . 1 .]" 1
287 1 25 LEU MD1 1 30 ALA MB 2.000 . 6.500 2.559 2.063 2.832 . 0 0 "[ . 1 .]" 1
288 1 25 LEU MD1 1 31 VAL H 2.000 . 6.500 3.540 3.073 4.270 . 0 0 "[ . 1 .]" 1
289 1 25 LEU MD1 1 34 LYS QB 2.000 . 8.000 3.010 2.366 3.587 . 0 0 "[ . 1 .]" 1
290 1 25 LEU MD2 1 26 GLY H 2.000 . 6.500 4.933 4.882 4.960 . 0 0 "[ . 1 .]" 1
291 1 25 LEU MD2 1 30 ALA HA 2.000 . 6.500 4.380 4.183 4.659 . 0 0 "[ . 1 .]" 1
292 1 25 LEU MD2 1 34 LYS QD 2.000 . 8.000 3.882 2.847 5.132 . 0 0 "[ . 1 .]" 1
293 1 25 LEU HG 1 26 GLY H 2.000 . 5.000 4.185 4.165 4.211 . 0 0 "[ . 1 .]" 1
294 1 26 GLY H 1 26 GLY HA2 2.000 . 2.700 2.381 2.362 2.414 . 0 0 "[ . 1 .]" 1
295 1 26 GLY H 1 27 VAL H 2.000 . 3.500 3.548 3.527 3.576 0.076 11 0 "[ . 1 .]" 1
296 1 26 GLY HA2 1 27 VAL H 2.000 . 2.700 2.203 2.197 2.216 . 0 0 "[ . 1 .]" 1
297 1 26 GLY HA2 1 28 GLU H 2.000 . 5.000 3.460 3.428 3.500 . 0 0 "[ . 1 .]" 1
298 1 26 GLY HA3 1 27 VAL H 2.000 . 3.500 3.381 3.361 3.401 . 0 0 "[ . 1 .]" 1
299 1 27 VAL H 1 27 VAL HB 2.000 . 2.700 2.543 2.394 2.656 . 0 0 "[ . 1 .]" 1
300 1 27 VAL H 1 27 VAL MG1 2.000 . 4.200 2.161 1.865 2.397 . 0 0 "[ . 1 .]" 1
301 1 27 VAL H 1 27 VAL MG2 2.000 . 6.500 3.766 3.748 3.779 . 0 0 "[ . 1 .]" 1
302 1 27 VAL H 1 28 GLU H 2.000 . 2.700 2.763 2.743 2.787 0.087 12 0 "[ . 1 .]" 1
303 1 27 VAL HA 1 27 VAL HB 2.000 . 2.700 2.459 2.405 2.533 . 0 0 "[ . 1 .]" 1
304 1 27 VAL HA 1 27 VAL MG1 2.000 . 5.000 3.186 3.170 3.195 . 0 0 "[ . 1 .]" 1
305 1 27 VAL HA 1 27 VAL MG2 2.000 . 4.200 2.356 2.181 2.442 . 0 0 "[ . 1 .]" 1
306 1 27 VAL HA 1 28 GLU H 2.000 . 5.000 3.448 3.440 3.463 . 0 0 "[ . 1 .]" 1
307 1 27 VAL HA 1 29 ARG H 2.000 . 5.000 4.433 4.333 4.573 . 0 0 "[ . 1 .]" 1
308 1 27 VAL HA 1 30 ALA H 2.000 . 3.500 3.228 3.047 3.428 . 0 0 "[ . 1 .]" 1
309 1 27 VAL HB 1 28 GLU H 2.000 . 5.000 4.164 4.060 4.249 . 0 0 "[ . 1 .]" 1
310 1 27 VAL MG1 1 28 GLU H 2.000 . 4.200 2.250 2.039 2.426 . 0 0 "[ . 1 .]" 1
311 1 27 VAL MG1 1 28 GLU HA 2.000 . 6.500 3.330 3.059 3.665 . 0 0 "[ . 1 .]" 1
312 1 27 VAL MG1 1 28 GLU QG 2.000 . 8.000 3.728 2.227 4.904 . 0 0 "[ . 1 .]" 1
313 1 27 VAL MG2 1 28 GLU H 2.000 . 6.500 3.789 3.622 3.961 . 0 0 "[ . 1 .]" 1
314 1 27 VAL MG2 1 30 ALA H 2.000 . 6.500 4.386 4.108 4.593 . 0 0 "[ . 1 .]" 1
315 1 28 GLU H 1 28 GLU QB 2.000 . 4.200 2.300 2.068 2.750 . 0 0 "[ . 1 .]" 1
316 1 28 GLU H 1 28 GLU QG 2.000 . 6.500 3.344 1.869 4.022 . 0 0 "[ . 1 .]" 1
317 1 28 GLU H 1 29 ARG H 2.000 . 2.700 2.662 2.500 2.729 0.029 15 0 "[ . 1 .]" 1
318 1 28 GLU H 1 30 ALA H 2.000 . 5.000 3.663 3.620 3.697 . 0 0 "[ . 1 .]" 1
319 1 28 GLU HA 1 28 GLU HG2 2.000 . 5.000 3.117 2.093 3.749 . 0 0 "[ . 1 .]" 1
320 1 28 GLU HA 1 28 GLU HG3 2.000 . 5.000 2.571 2.046 3.669 . 0 0 "[ . 1 .]" 1
321 1 28 GLU HA 1 29 ARG H 2.000 . 5.000 3.571 3.555 3.579 . 0 0 "[ . 1 .]" 1
322 1 28 GLU HA 1 30 ALA H 2.000 . 5.000 4.252 4.178 4.298 . 0 0 "[ . 1 .]" 1
323 1 28 GLU QB 1 29 ARG H 2.000 . 6.500 2.571 2.421 3.419 . 0 0 "[ . 1 .]" 1
324 1 28 GLU QB 1 30 ALA H 2.000 . 6.500 4.394 4.291 4.899 . 0 0 "[ . 1 .]" 1
325 1 29 ARG H 1 29 ARG HB2 2.000 . 3.500 2.520 2.403 2.902 . 0 0 "[ . 1 .]" 1
326 1 29 ARG H 1 29 ARG QG 2.000 . 5.000 3.103 2.370 3.651 . 0 0 "[ . 1 .]" 1
327 1 29 ARG H 1 30 ALA H 2.000 . 2.700 2.319 2.292 2.386 . 0 0 "[ . 1 .]" 1
328 1 29 ARG H 1 30 ALA MB 2.000 . 6.500 3.763 3.637 3.853 . 0 0 "[ . 1 .]" 1
329 1 29 ARG HA 1 29 ARG HB3 2.000 . 2.700 2.550 2.322 2.669 . 0 0 "[ . 1 .]" 1
330 1 29 ARG HA 1 29 ARG QG 2.000 . 4.200 2.294 2.047 2.776 . 0 0 "[ . 1 .]" 1
331 1 29 ARG HA 1 30 ALA H 2.000 . 5.000 3.156 3.144 3.176 . 0 0 "[ . 1 .]" 1
332 1 29 ARG HB2 1 30 ALA H 2.000 . 5.000 3.852 3.802 3.895 . 0 0 "[ . 1 .]" 1
333 1 29 ARG QG 1 30 ALA H 2.000 . 6.500 4.488 4.078 4.681 . 0 0 "[ . 1 .]" 1
334 1 30 ALA H 1 30 ALA MB 2.000 . 4.200 2.195 2.072 2.324 . 0 0 "[ . 1 .]" 1
335 1 30 ALA H 1 31 VAL H 2.000 . 5.000 4.488 4.249 4.604 . 0 0 "[ . 1 .]" 1
336 1 30 ALA HA 1 31 VAL H 2.000 . 2.700 2.201 2.174 2.256 . 0 0 "[ . 1 .]" 1
337 1 30 ALA MB 1 31 VAL H 2.000 . 5.000 3.266 3.016 3.545 . 0 0 "[ . 1 .]" 1
338 1 30 ALA MB 1 35 ILE H 2.000 . 6.500 5.255 5.194 5.312 . 0 0 "[ . 1 .]" 1
339 1 30 ALA MB 1 35 ILE MD 2.000 . 5.700 2.391 2.097 2.804 . 0 0 "[ . 1 .]" 1
340 1 30 ALA MB 1 53 LEU MD1 2.000 . 6.500 4.219 3.918 4.360 . 0 0 "[ . 1 .]" 1
341 1 30 ALA MB 1 53 LEU MD2 2.000 . 8.000 4.848 3.997 5.326 . 0 0 "[ . 1 .]" 1
342 1 31 VAL H 1 31 VAL MG1 2.000 . 5.000 2.884 2.427 3.261 . 0 0 "[ . 1 .]" 1
343 1 31 VAL H 1 31 VAL MG2 2.000 . 4.200 1.924 1.796 2.191 0.004 10 0 "[ . 1 .]" 1
344 1 31 VAL H 1 32 PRO QD 2.000 . 6.500 4.322 4.310 4.330 . 0 0 "[ . 1 .]" 1
345 1 31 VAL H 1 33 LYS QD 2.000 . 6.500 5.776 5.631 5.867 . 0 0 "[ . 1 .]" 1
346 1 31 VAL H 1 34 LYS H 2.000 . 5.000 4.293 4.169 4.445 . 0 0 "[ . 1 .]" 1
347 1 31 VAL H 1 34 LYS QB 2.000 . 5.000 3.289 3.160 3.461 . 0 0 "[ . 1 .]" 1
348 1 31 VAL H 1 34 LYS QG 2.000 . 6.500 4.499 3.663 5.104 . 0 0 "[ . 1 .]" 1
349 1 31 VAL H 1 35 ILE QG 2.000 . 7.500 3.410 3.091 3.741 . 0 0 "[ . 1 .]" 1
350 1 31 VAL HA 1 31 VAL HB 2.000 . 2.700 2.557 2.445 2.636 . 0 0 "[ . 1 .]" 1
351 1 31 VAL HA 1 31 VAL MG1 2.000 . 4.200 2.231 2.060 2.363 . 0 0 "[ . 1 .]" 1
352 1 31 VAL HA 1 31 VAL MG2 2.000 . 5.000 3.174 3.148 3.192 . 0 0 "[ . 1 .]" 1
353 1 31 VAL HA 1 32 PRO HD2 2.000 . 3.500 2.618 2.586 2.631 . 0 0 "[ . 1 .]" 1
354 1 31 VAL HA 1 53 LEU MD2 2.000 . 6.500 3.401 2.800 4.037 . 0 0 "[ . 1 .]" 1
355 1 31 VAL HB 1 32 PRO HD2 2.000 . 3.500 1.901 1.854 1.965 . 0 0 "[ . 1 .]" 1
356 1 31 VAL HB 1 32 PRO HD3 2.000 . 5.000 3.144 3.078 3.229 . 0 0 "[ . 1 .]" 1
357 1 31 VAL MG1 1 32 PRO HD3 2.000 . 6.500 3.411 3.219 3.697 . 0 0 "[ . 1 .]" 1
358 1 31 VAL MG1 1 33 LYS H 2.000 . 6.500 4.114 3.968 4.281 . 0 0 "[ . 1 .]" 1
359 1 31 VAL MG1 1 34 LYS H 2.000 . 7.500 4.392 4.283 4.538 . 0 0 "[ . 1 .]" 1
360 1 31 VAL MG2 1 33 LYS H 2.000 . 5.000 3.073 2.624 3.351 . 0 0 "[ . 1 .]" 1
361 1 31 VAL MG2 1 34 LYS H 2.000 . 5.000 1.997 1.750 2.212 0.050 1 0 "[ . 1 .]" 1
362 1 31 VAL MG2 1 34 LYS QB 2.000 . 6.500 1.916 1.782 2.276 0.018 14 0 "[ . 1 .]" 1
363 1 31 VAL MG2 1 34 LYS QD 2.000 . 6.500 3.557 2.286 4.307 . 0 0 "[ . 1 .]" 1
364 1 31 VAL MG2 1 34 LYS QG 2.000 . 5.700 2.351 1.832 2.753 . 0 0 "[ . 1 .]" 1
365 1 32 PRO HA 1 33 LYS H 2.000 . 5.000 3.498 3.460 3.526 . 0 0 "[ . 1 .]" 1
366 1 32 PRO HA 1 35 ILE H 2.000 . 3.500 3.526 3.507 3.545 0.045 12 0 "[ . 1 .]" 1
367 1 32 PRO HA 1 35 ILE HB 2.000 . 3.500 2.397 2.197 2.646 . 0 0 "[ . 1 .]" 1
368 1 32 PRO HA 1 35 ILE MD 2.000 . 5.000 3.878 3.623 4.016 . 0 0 "[ . 1 .]" 1
369 1 32 PRO HA 1 36 LEU H 2.000 . 5.000 3.898 3.760 4.087 . 0 0 "[ . 1 .]" 1
370 1 32 PRO HA 1 49 VAL MG1 2.000 . 5.000 2.847 2.260 3.490 . 0 0 "[ . 1 .]" 1
371 1 32 PRO HA 1 50 ALA HA 2.000 . 5.000 4.920 4.613 5.008 0.008 13 0 "[ . 1 .]" 1
372 1 32 PRO QB 1 33 LYS H 2.000 . 5.000 3.335 3.249 3.458 . 0 0 "[ . 1 .]" 1
373 1 32 PRO QB 1 50 ALA HA 2.000 . 6.500 2.520 2.225 2.677 . 0 0 "[ . 1 .]" 1
374 1 32 PRO QB 1 50 ALA MB 2.000 . 8.000 2.659 2.440 2.930 . 0 0 "[ . 1 .]" 1
375 1 32 PRO QD 1 33 LYS H 2.000 . 5.000 2.326 2.295 2.398 . 0 0 "[ . 1 .]" 1
376 1 32 PRO HD2 1 50 ALA MB 2.000 . 6.500 4.564 4.097 5.253 . 0 0 "[ . 1 .]" 1
377 1 32 PRO HD3 1 53 LEU MD2 2.000 . 5.000 2.360 1.806 3.206 . 0 0 "[ . 1 .]" 1
378 1 32 PRO QG 1 33 LYS H 2.000 . 6.500 2.818 2.687 3.013 . 0 0 "[ . 1 .]" 1
379 1 32 PRO QG 1 50 ALA MB 2.000 . 8.000 2.394 1.891 2.975 . 0 0 "[ . 1 .]" 1
380 1 33 LYS H 1 33 LYS HB2 2.000 . 2.700 2.761 2.751 2.777 0.077 13 0 "[ . 1 .]" 1
381 1 33 LYS H 1 33 LYS HB3 2.000 . 2.700 2.332 2.302 2.365 . 0 0 "[ . 1 .]" 1
382 1 33 LYS H 1 33 LYS QG 2.000 . 6.500 4.040 4.027 4.049 . 0 0 "[ . 1 .]" 1
383 1 33 LYS H 1 34 LYS H 2.000 . 2.700 2.701 2.618 2.723 0.023 1 0 "[ . 1 .]" 1
384 1 33 LYS HA 1 33 LYS HB2 2.000 . 2.700 2.391 2.381 2.407 . 0 0 "[ . 1 .]" 1
385 1 33 LYS HA 1 33 LYS QG 2.000 . 6.500 2.463 2.427 2.491 . 0 0 "[ . 1 .]" 1
386 1 33 LYS HA 1 34 LYS H 2.000 . 5.000 3.580 3.570 3.584 . 0 0 "[ . 1 .]" 1
387 1 33 LYS HA 1 35 ILE H 2.000 . 5.000 4.643 4.560 4.762 . 0 0 "[ . 1 .]" 1
388 1 33 LYS HA 1 36 LEU H 2.000 . 3.500 3.546 3.527 3.567 0.067 12 0 "[ . 1 .]" 1
389 1 33 LYS HA 1 36 LEU HB2 2.000 . 5.000 3.013 2.833 3.193 . 0 0 "[ . 1 .]" 1
390 1 33 LYS HA 1 36 LEU HB3 2.000 . 3.500 3.130 2.872 3.334 . 0 0 "[ . 1 .]" 1
391 1 33 LYS QB 1 34 LYS H 2.000 . 4.200 2.401 2.316 2.542 . 0 0 "[ . 1 .]" 1
392 1 34 LYS H 1 34 LYS HB2 2.000 . 2.700 2.309 2.214 2.547 . 0 0 "[ . 1 .]" 1
393 1 34 LYS H 1 34 LYS QD 2.000 . 6.500 4.161 3.759 4.460 . 0 0 "[ . 1 .]" 1
394 1 34 LYS H 1 34 LYS QG 2.000 . 5.000 2.648 2.265 2.890 . 0 0 "[ . 1 .]" 1
395 1 34 LYS H 1 35 ILE H 2.000 . 2.700 2.631 2.583 2.693 . 0 0 "[ . 1 .]" 1
396 1 34 LYS H 1 36 LEU H 2.000 . 5.000 3.827 3.735 3.921 . 0 0 "[ . 1 .]" 1
397 1 34 LYS HA 1 34 LYS HB3 2.000 . 2.700 2.601 2.460 2.668 . 0 0 "[ . 1 .]" 1
398 1 34 LYS HA 1 34 LYS QG 2.000 . 4.200 2.334 2.025 2.726 . 0 0 "[ . 1 .]" 1
399 1 34 LYS HA 1 35 ILE H 2.000 . 5.000 3.568 3.550 3.585 . 0 0 "[ . 1 .]" 1
400 1 34 LYS HA 1 37 ASP H 2.000 . 3.500 3.582 3.567 3.603 0.103 5 0 "[ . 1 .]" 1
401 1 34 LYS HA 1 37 ASP QB 2.000 . 5.000 3.764 3.409 4.148 . 0 0 "[ . 1 .]" 1
402 1 34 LYS QB 1 35 ILE H 2.000 . 4.200 2.620 2.470 2.710 . 0 0 "[ . 1 .]" 1
403 1 34 LYS QG 1 35 ILE H 2.000 . 6.500 4.230 3.954 4.368 . 0 0 "[ . 1 .]" 1
404 1 35 ILE H 1 35 ILE HB 2.000 . 2.700 2.401 2.368 2.448 . 0 0 "[ . 1 .]" 1
405 1 35 ILE H 1 35 ILE MD 2.000 . 6.500 4.025 3.956 4.062 . 0 0 "[ . 1 .]" 1
406 1 35 ILE H 1 35 ILE HG12 2.000 . 5.000 3.201 3.066 3.279 . 0 0 "[ . 1 .]" 1
407 1 35 ILE H 1 35 ILE HG13 2.000 . 2.700 2.575 2.465 2.645 . 0 0 "[ . 1 .]" 1
408 1 35 ILE H 1 35 ILE MG 2.000 . 6.500 3.755 3.743 3.772 . 0 0 "[ . 1 .]" 1
409 1 35 ILE H 1 36 LEU H 2.000 . 2.700 2.569 2.527 2.606 . 0 0 "[ . 1 .]" 1
410 1 35 ILE H 1 36 LEU QB 2.000 . 6.500 4.374 4.323 4.410 . 0 0 "[ . 1 .]" 1
411 1 35 ILE HA 1 35 ILE MD 2.000 . 6.500 3.480 3.451 3.536 . 0 0 "[ . 1 .]" 1
412 1 35 ILE HA 1 35 ILE HG12 2.000 . 3.500 2.180 2.153 2.222 . 0 0 "[ . 1 .]" 1
413 1 35 ILE HA 1 35 ILE HG13 2.000 . 5.000 3.255 3.224 3.304 . 0 0 "[ . 1 .]" 1
414 1 35 ILE HA 1 35 ILE MG 2.000 . 4.200 2.476 2.423 2.518 . 0 0 "[ . 1 .]" 1
415 1 35 ILE HA 1 38 LEU H 2.000 . 5.000 2.703 2.656 2.739 . 0 0 "[ . 1 .]" 1
416 1 35 ILE HA 1 38 LEU HB2 2.000 . 4.000 2.132 1.864 2.574 . 0 0 "[ . 1 .]" 1
417 1 35 ILE HB 1 35 ILE MD 2.000 . 4.200 2.656 2.639 2.704 . 0 0 "[ . 1 .]" 1
418 1 35 ILE HB 1 35 ILE HG13 2.000 . 2.700 2.319 2.312 2.337 . 0 0 "[ . 1 .]" 1
419 1 35 ILE HB 1 36 LEU H 2.000 . 3.000 3.035 3.015 3.054 0.054 9 0 "[ . 1 .]" 1
420 1 35 ILE HB 1 49 VAL MG1 2.000 . 6.500 3.565 2.712 4.169 . 0 0 "[ . 1 .]" 1
421 1 35 ILE MD 1 35 ILE MG 2.000 . 5.700 1.613 1.523 1.724 0.277 15 0 "[ . 1 .]" 1
422 1 35 ILE MD 1 36 LEU H 2.000 . 6.500 5.114 5.095 5.139 . 0 0 "[ . 1 .]" 1
423 1 35 ILE MD 1 38 LEU MD2 2.000 . 6.500 4.305 4.251 4.429 . 0 0 "[ . 1 .]" 1
424 1 35 ILE MD 1 49 VAL MG1 2.000 . 6.500 3.897 3.538 4.176 . 0 0 "[ . 1 .]" 1
425 1 35 ILE MD 1 53 LEU MD1 2.000 . 8.000 4.769 4.219 5.377 . 0 0 "[ . 1 .]" 1
426 1 35 ILE QG 1 36 LEU H 2.000 . 6.500 4.235 4.191 4.267 . 0 0 "[ . 1 .]" 1
427 1 35 ILE HG12 1 35 ILE MG 2.000 . 5.000 2.667 2.587 2.690 . 0 0 "[ . 1 .]" 1
428 1 35 ILE HG13 1 35 ILE MG 2.000 . 4.000 3.152 3.147 3.162 . 0 0 "[ . 1 .]" 1
429 1 35 ILE MG 1 36 LEU H 2.000 . 5.000 3.553 3.472 3.662 . 0 0 "[ . 1 .]" 1
430 1 35 ILE MG 1 36 LEU HA 2.000 . 6.500 3.456 3.369 3.667 . 0 0 "[ . 1 .]" 1
431 1 35 ILE MG 1 39 MET HG3 2.000 . 5.000 3.082 2.238 3.696 . 0 0 "[ . 1 .]" 1
432 1 35 ILE MG 1 49 VAL MG1 2.000 . 8.000 3.032 2.614 3.304 . 0 0 "[ . 1 .]" 1
433 1 35 ILE MG 1 49 VAL MG2 2.000 . 6.500 3.863 3.321 4.210 . 0 0 "[ . 1 .]" 1
434 1 36 LEU H 1 36 LEU HB2 2.000 . 2.700 2.640 2.540 2.695 . 0 0 "[ . 1 .]" 1
435 1 36 LEU H 1 36 LEU HB3 2.000 . 2.700 2.508 2.457 2.598 . 0 0 "[ . 1 .]" 1
436 1 36 LEU H 1 36 LEU MD1 2.000 . 6.500 4.052 3.906 4.190 . 0 0 "[ . 1 .]" 1
437 1 36 LEU H 1 36 LEU MD2 2.000 . 6.500 4.262 4.205 4.320 . 0 0 "[ . 1 .]" 1
438 1 36 LEU H 1 36 LEU HG 2.000 . 5.000 4.421 4.384 4.484 . 0 0 "[ . 1 .]" 1
439 1 36 LEU H 1 37 ASP H 2.000 . 2.700 2.712 2.625 2.734 0.034 5 0 "[ . 1 .]" 1
440 1 36 LEU HA 1 36 LEU HB2 2.000 . 2.700 2.437 2.410 2.486 . 0 0 "[ . 1 .]" 1
441 1 36 LEU HA 1 36 LEU MD1 2.000 . 4.200 2.076 1.837 2.381 . 0 0 "[ . 1 .]" 1
442 1 36 LEU HA 1 36 LEU MD2 2.000 . 6.500 3.867 3.752 3.919 . 0 0 "[ . 1 .]" 1
443 1 36 LEU HA 1 36 LEU HG 2.000 . 3.500 3.033 2.907 3.271 . 0 0 "[ . 1 .]" 1
444 1 36 LEU HA 1 37 ASP H 2.000 . 5.000 3.535 3.504 3.547 . 0 0 "[ . 1 .]" 1
445 1 36 LEU HA 1 38 LEU H 2.000 . 5.000 4.290 4.214 4.364 . 0 0 "[ . 1 .]" 1
446 1 36 LEU HA 1 39 MET H 2.000 . 3.500 3.549 3.526 3.570 0.070 9 0 "[ . 1 .]" 1
447 1 36 LEU HA 1 39 MET QB 2.000 . 5.000 3.241 3.062 3.445 . 0 0 "[ . 1 .]" 1
448 1 36 LEU HB2 1 36 LEU MD1 2.000 . 4.200 2.246 2.115 2.388 . 0 0 "[ . 1 .]" 1
449 1 36 LEU HB2 1 36 LEU MD2 2.000 . 4.200 2.438 2.200 2.561 . 0 0 "[ . 1 .]" 1
450 1 36 LEU HB2 1 37 ASP H 2.000 . 5.000 3.991 3.892 4.062 . 0 0 "[ . 1 .]" 1
451 1 36 LEU HB3 1 36 LEU MD1 2.000 . 5.000 3.174 3.151 3.196 . 0 0 "[ . 1 .]" 1
452 1 36 LEU HB3 1 36 LEU MD2 2.000 . 4.200 2.229 2.104 2.434 . 0 0 "[ . 1 .]" 1
453 1 36 LEU HB3 1 36 LEU HG 2.000 . 2.700 2.529 2.407 2.618 . 0 0 "[ . 1 .]" 1
454 1 36 LEU HB3 1 37 ASP H 2.000 . 3.500 2.713 2.628 2.834 . 0 0 "[ . 1 .]" 1
455 1 36 LEU MD1 1 44 LEU HB2 2.000 . 5.000 3.972 3.678 4.205 . 0 0 "[ . 1 .]" 1
456 1 36 LEU MD1 1 46 ARG HA 2.000 . 5.000 2.535 1.866 2.975 . 0 0 "[ . 1 .]" 1
457 1 36 LEU MD1 1 49 VAL MG2 2.000 . 6.500 3.099 2.183 3.793 . 0 0 "[ . 1 .]" 1
458 1 36 LEU MD2 1 37 ASP H 2.000 . 6.500 4.274 4.149 4.563 . 0 0 "[ . 1 .]" 1
459 1 36 LEU MD2 1 45 THR HA 2.000 . 6.500 3.594 2.355 4.427 . 0 0 "[ . 1 .]" 1
460 1 36 LEU MD2 1 46 ARG HA 2.000 . 5.000 3.211 2.615 3.877 . 0 0 "[ . 1 .]" 1
461 1 36 LEU HG 1 37 ASP H 2.000 . 5.000 3.665 3.538 3.797 . 0 0 "[ . 1 .]" 1
462 1 37 ASP H 1 37 ASP QB 2.000 . 4.200 2.378 2.161 2.694 . 0 0 "[ . 1 .]" 1
463 1 37 ASP H 1 38 LEU H 2.000 . 2.700 2.427 2.351 2.469 . 0 0 "[ . 1 .]" 1
464 1 37 ASP H 1 40 ASN H 2.000 . 5.000 4.853 4.681 5.014 0.014 13 0 "[ . 1 .]" 1
465 1 37 ASP HA 1 37 ASP HB3 2.000 . 2.700 2.549 2.354 2.695 . 0 0 "[ . 1 .]" 1
466 1 37 ASP HA 1 38 LEU H 2.000 . 5.000 3.518 3.494 3.528 . 0 0 "[ . 1 .]" 1
467 1 37 ASP HA 1 39 MET H 2.000 . 5.000 4.016 3.854 4.120 . 0 0 "[ . 1 .]" 1
468 1 37 ASP QB 1 38 LEU H 2.000 . 4.200 2.809 2.645 3.543 . 0 0 "[ . 1 .]" 1
469 1 37 ASP QB 1 40 ASN H 2.000 . 6.500 4.909 4.724 5.016 . 0 0 "[ . 1 .]" 1
470 1 38 LEU H 1 38 LEU HB2 2.000 . 2.700 2.267 2.231 2.425 . 0 0 "[ . 1 .]" 1
471 1 38 LEU H 1 38 LEU HB3 2.000 . 4.500 3.555 3.535 3.607 . 0 0 "[ . 1 .]" 1
472 1 38 LEU H 1 38 LEU MD1 2.000 . 6.500 3.247 3.195 3.376 . 0 0 "[ . 1 .]" 1
473 1 38 LEU H 1 38 LEU MD2 2.000 . 6.500 4.025 3.665 4.059 . 0 0 "[ . 1 .]" 1
474 1 38 LEU H 1 38 LEU HG 2.000 . 2.700 2.711 2.305 2.762 0.062 15 0 "[ . 1 .]" 1
475 1 38 LEU H 1 39 MET H 2.000 . 2.700 2.700 2.627 2.722 0.022 11 0 "[ . 1 .]" 1
476 1 38 LEU H 1 40 ASN H 2.000 . 5.000 4.373 4.139 4.525 . 0 0 "[ . 1 .]" 1
477 1 38 LEU HA 1 38 LEU HB3 2.000 . 2.700 2.631 2.545 2.646 . 0 0 "[ . 1 .]" 1
478 1 38 LEU HA 1 38 LEU MD1 2.000 . 6.500 3.741 3.722 3.827 . 0 0 "[ . 1 .]" 1
479 1 38 LEU HA 1 38 LEU MD2 2.000 . 4.200 2.407 2.074 2.538 . 0 0 "[ . 1 .]" 1
480 1 38 LEU HA 1 38 LEU HG 2.000 . 3.500 2.387 2.336 2.724 . 0 0 "[ . 1 .]" 1
481 1 38 LEU HA 1 39 MET H 2.000 . 5.000 3.535 3.511 3.552 . 0 0 "[ . 1 .]" 1
482 1 38 LEU HA 1 40 ASN H 2.000 . 5.000 4.920 4.568 5.014 0.014 7 0 "[ . 1 .]" 1
483 1 38 LEU HB2 1 38 LEU MD1 2.000 . 4.200 2.067 2.003 2.149 . 0 0 "[ . 1 .]" 1
484 1 38 LEU HB2 1 38 LEU MD2 2.000 . 5.000 3.114 3.094 3.168 . 0 0 "[ . 1 .]" 1
485 1 38 LEU HB2 1 38 LEU HG 2.000 . 2.700 2.670 2.582 2.683 . 0 0 "[ . 1 .]" 1
486 1 38 LEU HB2 1 39 MET H 2.000 . 3.500 2.867 2.679 2.992 . 0 0 "[ . 1 .]" 1
487 1 38 LEU HB3 1 38 LEU MD1 2.000 . 4.200 2.628 2.570 2.658 . 0 0 "[ . 1 .]" 1
488 1 38 LEU HB3 1 38 LEU MD2 2.000 . 4.200 2.081 1.968 2.211 . 0 0 "[ . 1 .]" 1
489 1 38 LEU HB3 1 39 MET H 2.000 . 5.000 3.525 3.424 3.614 . 0 0 "[ . 1 .]" 1
490 1 38 LEU HG 1 39 MET H 2.000 . 5.000 4.678 4.439 4.731 . 0 0 "[ . 1 .]" 1
491 1 39 MET H 1 39 MET QB 2.000 . 4.200 2.377 2.198 2.608 . 0 0 "[ . 1 .]" 1
492 1 39 MET H 1 39 MET ME 2.000 . 7.500 4.895 4.593 5.254 . 0 0 "[ . 1 .]" 1
493 1 39 MET H 1 39 MET QG 2.000 . 4.200 2.481 1.888 3.105 . 0 0 "[ . 1 .]" 1
494 1 39 MET H 1 40 ASN H 2.000 . 2.700 2.532 2.355 2.662 . 0 0 "[ . 1 .]" 1
495 1 39 MET H 1 41 VAL H 2.000 . 5.000 4.583 4.400 4.712 . 0 0 "[ . 1 .]" 1
496 1 39 MET HA 1 39 MET QB 2.000 . 5.000 2.403 2.302 2.492 . 0 0 "[ . 1 .]" 1
497 1 39 MET HA 1 39 MET HG2 2.000 . 5.000 2.663 2.134 3.176 . 0 0 "[ . 1 .]" 1
498 1 39 MET HA 1 39 MET HG3 2.000 . 5.000 3.488 2.381 3.821 . 0 0 "[ . 1 .]" 1
499 1 39 MET HA 1 40 ASN H 2.000 . 5.000 3.576 3.558 3.585 . 0 0 "[ . 1 .]" 1
500 1 39 MET QB 1 39 MET ME 2.000 . 6.500 2.852 2.035 3.490 . 0 0 "[ . 1 .]" 1
501 1 39 MET QB 1 40 ASN H 2.000 . 5.000 2.420 2.289 2.655 . 0 0 "[ . 1 .]" 1
502 1 39 MET QB 1 41 VAL H 2.000 . 6.500 2.406 2.281 2.485 . 0 0 "[ . 1 .]" 1
503 1 39 MET QB 1 41 VAL MG2 2.000 . 5.700 1.980 1.759 2.290 0.041 10 0 "[ . 1 .]" 1
504 1 39 MET ME 1 41 VAL MG2 2.000 . 5.700 3.023 2.268 3.652 . 0 0 "[ . 1 .]" 1
505 1 39 MET QG 1 40 ASN H 2.000 . 6.500 4.010 3.629 4.361 . 0 0 "[ . 1 .]" 1
506 1 40 ASN H 1 40 ASN HA 2.000 . 2.700 2.349 2.345 2.354 . 0 0 "[ . 1 .]" 1
507 1 40 ASN H 1 40 ASN HB2 2.000 . 4.000 3.062 2.994 3.148 . 0 0 "[ . 1 .]" 1
508 1 40 ASN H 1 41 VAL H 2.000 . 2.700 2.720 2.695 2.738 0.038 10 0 "[ . 1 .]" 1
509 1 40 ASN H 1 41 VAL MG2 2.000 . 6.500 3.921 3.647 4.210 . 0 0 "[ . 1 .]" 1
510 1 40 ASN HA 1 40 ASN HB2 2.000 . 2.700 2.567 2.460 2.678 . 0 0 "[ . 1 .]" 1
511 1 40 ASN HA 1 41 VAL H 2.000 . 3.000 3.016 2.999 3.031 0.031 12 0 "[ . 1 .]" 1
512 1 40 ASN QB 1 41 VAL H 2.000 . 6.500 3.728 3.695 3.761 . 0 0 "[ . 1 .]" 1
513 1 41 VAL H 1 41 VAL HB 2.000 . 3.500 2.545 2.392 2.660 . 0 0 "[ . 1 .]" 1
514 1 41 VAL H 1 41 VAL MG1 2.000 . 6.500 3.787 3.752 3.818 . 0 0 "[ . 1 .]" 1
515 1 41 VAL H 1 41 VAL MG2 2.000 . 5.000 2.196 1.876 2.482 . 0 0 "[ . 1 .]" 1
516 1 41 VAL HA 1 41 VAL MG1 2.000 . 4.200 2.289 2.156 2.414 . 0 0 "[ . 1 .]" 1
517 1 41 VAL HA 1 41 VAL MG2 2.000 . 4.200 2.417 2.197 2.542 . 0 0 "[ . 1 .]" 1
518 1 41 VAL HA 1 42 ASP H 2.000 . 2.700 2.343 2.280 2.387 . 0 0 "[ . 1 .]" 1
519 1 41 VAL HB 1 42 ASP H 2.000 . 5.000 3.763 3.565 4.007 . 0 0 "[ . 1 .]" 1
520 1 41 VAL HB 1 44 LEU H 2.000 . 6.000 3.980 3.784 4.179 . 0 0 "[ . 1 .]" 1
521 1 41 VAL HB 1 44 LEU HB2 2.000 . 3.500 2.265 2.068 2.411 . 0 0 "[ . 1 .]" 1
522 1 41 VAL HB 1 44 LEU HB3 2.000 . 3.500 3.374 3.174 3.514 0.014 10 0 "[ . 1 .]" 1
523 1 41 VAL MG1 1 42 ASP H 2.000 . 5.000 1.979 1.872 2.085 . 0 0 "[ . 1 .]" 1
524 1 41 VAL MG1 1 44 LEU H 2.000 . 5.000 3.679 3.065 4.007 . 0 0 "[ . 1 .]" 1
525 1 41 VAL MG2 1 42 ASP H 2.000 . 6.500 3.922 3.734 4.048 . 0 0 "[ . 1 .]" 1
526 1 41 VAL MG2 1 44 LEU H 2.000 . 6.500 5.359 5.221 5.471 . 0 0 "[ . 1 .]" 1
527 1 41 VAL MG2 1 44 LEU MD1 2.000 . 6.500 2.266 1.988 4.360 . 0 0 "[ . 1 .]" 1
528 1 41 VAL MG2 1 44 LEU MD2 2.000 . 6.500 4.325 3.831 4.438 . 0 0 "[ . 1 .]" 1
529 1 42 ASP H 1 42 ASP QB 2.000 . 4.200 2.584 2.115 2.852 . 0 0 "[ . 1 .]" 1
530 1 42 ASP H 1 43 LYS H 2.000 . 5.000 4.621 4.594 4.642 . 0 0 "[ . 1 .]" 1
531 1 42 ASP HA 1 42 ASP HB2 2.000 . 2.700 2.556 2.407 2.854 0.154 14 0 "[ . 1 .]" 1
532 1 42 ASP HA 1 42 ASP HB3 2.000 . 2.700 2.532 2.377 2.836 0.136 7 0 "[ . 1 .]" 1
533 1 42 ASP HA 1 43 LYS H 2.000 . 2.700 2.281 2.241 2.310 . 0 0 "[ . 1 .]" 1
534 1 42 ASP HA 1 44 LEU H 2.000 . 5.000 3.190 3.144 3.297 . 0 0 "[ . 1 .]" 1
535 1 42 ASP QB 1 43 LYS H 2.000 . 6.500 2.931 2.811 3.264 . 0 0 "[ . 1 .]" 1
536 1 42 ASP QB 1 43 LYS QE 2.000 . 6.500 4.353 3.696 4.887 . 0 0 "[ . 1 .]" 1
537 1 43 LYS H 1 43 LYS HA 2.000 . 2.700 2.359 2.353 2.363 . 0 0 "[ . 1 .]" 1
538 1 43 LYS H 1 43 LYS QB 2.000 . 6.500 3.089 3.074 3.113 . 0 0 "[ . 1 .]" 1
539 1 43 LYS H 1 43 LYS QD 2.000 . 7.500 4.827 4.043 5.480 . 0 0 "[ . 1 .]" 1
540 1 43 LYS H 1 43 LYS QG 2.000 . 6.500 4.076 3.931 4.248 . 0 0 "[ . 1 .]" 1
541 1 43 LYS H 1 44 LEU H 2.000 . 2.700 2.630 2.562 2.705 0.005 6 0 "[ . 1 .]" 1
542 1 43 LYS HA 1 44 LEU H 2.000 . 3.500 3.323 3.257 3.379 . 0 0 "[ . 1 .]" 1
543 1 43 LYS QB 1 44 LEU H 2.000 . 5.000 3.432 3.274 3.746 . 0 0 "[ . 1 .]" 1
544 1 43 LYS QG 1 45 THR H 2.000 . 6.500 5.410 4.981 5.824 . 0 0 "[ . 1 .]" 1
545 1 43 LYS HG3 1 44 LEU H 2.000 . 5.000 4.730 3.985 5.015 0.015 5 0 "[ . 1 .]" 1
546 1 44 LEU H 1 44 LEU HB2 2.000 . 2.700 2.295 2.225 2.363 . 0 0 "[ . 1 .]" 1
547 1 44 LEU H 1 44 LEU HB3 2.000 . 4.000 3.561 3.529 3.606 . 0 0 "[ . 1 .]" 1
548 1 44 LEU H 1 44 LEU MD1 2.000 . 7.500 4.085 3.866 4.175 . 0 0 "[ . 1 .]" 1
549 1 44 LEU H 1 44 LEU MD2 2.000 . 7.500 3.854 2.456 4.222 . 0 0 "[ . 1 .]" 1
550 1 44 LEU H 1 44 LEU HG 2.000 . 4.500 3.270 2.896 4.238 . 0 0 "[ . 1 .]" 1
551 1 44 LEU H 1 45 THR H 2.000 . 5.000 4.362 4.097 4.605 . 0 0 "[ . 1 .]" 1
552 1 44 LEU HA 1 45 THR H 2.000 . 2.700 2.219 2.190 2.272 . 0 0 "[ . 1 .]" 1
553 1 44 LEU MD1 1 45 THR H 2.000 . 6.500 4.907 2.697 5.404 . 0 0 "[ . 1 .]" 1
554 1 44 LEU MD2 1 45 THR H 2.000 . 5.000 3.153 2.575 4.045 . 0 0 "[ . 1 .]" 1
555 1 44 LEU HG 1 45 THR H 2.000 . 5.000 4.904 4.728 5.029 0.029 3 0 "[ . 1 .]" 1
556 1 45 THR H 1 45 THR MG 2.000 . 4.200 2.679 2.093 3.252 . 0 0 "[ . 1 .]" 1
557 1 45 THR H 1 46 ARG H 2.000 . 5.000 4.566 4.485 4.642 . 0 0 "[ . 1 .]" 1
558 1 45 THR H 1 48 ASN H 2.000 . 5.000 3.761 3.317 4.085 . 0 0 "[ . 1 .]" 1
559 1 45 THR H 1 48 ASN HB2 2.000 . 3.500 2.707 2.318 3.105 . 0 0 "[ . 1 .]" 1
560 1 45 THR H 1 48 ASN HB3 2.000 . 5.000 4.123 3.722 4.552 . 0 0 "[ . 1 .]" 1
561 1 45 THR H 1 49 VAL H 2.000 . 5.000 4.839 4.419 5.030 0.030 6 0 "[ . 1 .]" 1
562 1 45 THR HA 1 45 THR HB 2.000 . 2.700 2.515 2.372 2.653 . 0 0 "[ . 1 .]" 1
563 1 45 THR HA 1 45 THR MG 2.000 . 4.200 2.285 2.014 2.563 . 0 0 "[ . 1 .]" 1
564 1 45 THR HA 1 46 ARG H 2.000 . 2.700 2.489 2.380 2.613 . 0 0 "[ . 1 .]" 1
565 1 45 THR HA 1 47 GLU H 2.000 . 5.000 4.143 3.987 4.357 . 0 0 "[ . 1 .]" 1
566 1 45 THR HB 1 46 ARG H 2.000 . 2.700 2.421 2.137 2.690 . 0 0 "[ . 1 .]" 1
567 1 45 THR HB 1 47 GLU H 2.000 . 3.000 2.602 2.327 2.992 . 0 0 "[ . 1 .]" 1
568 1 45 THR MG 1 46 ARG H 2.000 . 6.500 3.656 3.274 4.017 . 0 0 "[ . 1 .]" 1
569 1 45 THR MG 1 47 GLU H 2.000 . 6.500 4.134 4.020 4.290 . 0 0 "[ . 1 .]" 1
570 1 45 THR MG 1 48 ASN H 2.000 . 6.500 4.405 4.034 4.671 . 0 0 "[ . 1 .]" 1
571 1 46 ARG H 1 46 ARG QB 2.000 . 4.200 2.467 2.099 2.700 . 0 0 "[ . 1 .]" 1
572 1 46 ARG H 1 46 ARG QG 2.000 . 6.500 2.653 1.847 4.026 . 0 0 "[ . 1 .]" 1
573 1 46 ARG H 1 47 GLU H 2.000 . 3.000 2.483 2.427 2.656 . 0 0 "[ . 1 .]" 1
574 1 46 ARG H 1 48 ASN H 2.000 . 5.000 4.154 3.912 4.339 . 0 0 "[ . 1 .]" 1
575 1 46 ARG HA 1 47 GLU H 2.000 . 5.000 3.463 3.439 3.517 . 0 0 "[ . 1 .]" 1
576 1 46 ARG HA 1 49 VAL HB 2.000 . 3.500 3.274 2.990 3.483 . 0 0 "[ . 1 .]" 1
577 1 46 ARG QB 1 47 GLU H 2.000 . 5.000 3.368 2.800 3.681 . 0 0 "[ . 1 .]" 1
578 1 47 GLU H 1 47 GLU HB2 2.000 . 2.700 2.318 2.100 2.665 . 0 0 "[ . 1 .]" 1
579 1 47 GLU H 1 47 GLU QG 2.000 . 6.500 3.258 1.938 4.084 . 0 0 "[ . 1 .]" 1
580 1 47 GLU H 1 48 ASN H 2.000 . 2.700 2.480 2.396 2.552 . 0 0 "[ . 1 .]" 1
581 1 47 GLU H 1 50 ALA MB 2.000 . 6.500 4.355 4.152 4.558 . 0 0 "[ . 1 .]" 1
582 1 47 GLU HA 1 48 ASN H 2.000 . 5.000 3.506 3.472 3.565 . 0 0 "[ . 1 .]" 1
583 1 47 GLU HA 1 50 ALA H 2.000 . 3.500 3.276 3.175 3.443 . 0 0 "[ . 1 .]" 1
584 1 47 GLU HA 1 50 ALA MB 2.000 . 4.200 2.256 2.006 2.448 . 0 0 "[ . 1 .]" 1
585 1 47 GLU QB 1 48 ASN H 2.000 . 4.200 2.859 2.630 3.023 . 0 0 "[ . 1 .]" 1
586 1 47 GLU QG 1 48 ASN H 2.000 . 6.500 4.287 3.853 4.556 . 0 0 "[ . 1 .]" 1
587 1 48 ASN H 1 48 ASN HB2 2.000 . 2.700 2.238 2.195 2.345 . 0 0 "[ . 1 .]" 1
588 1 48 ASN H 1 48 ASN QD 2.000 . 6.500 3.365 2.196 4.513 . 0 0 "[ . 1 .]" 1
589 1 48 ASN H 1 49 VAL H 2.000 . 2.700 2.584 2.425 2.690 . 0 0 "[ . 1 .]" 1
590 1 48 ASN H 1 51 SER H 2.000 . 5.000 4.748 4.512 4.924 . 0 0 "[ . 1 .]" 1
591 1 48 ASN HA 1 48 ASN HB3 2.000 . 2.700 2.642 2.565 2.673 . 0 0 "[ . 1 .]" 1
592 1 48 ASN HA 1 49 VAL H 2.000 . 5.000 3.550 3.531 3.569 . 0 0 "[ . 1 .]" 1
593 1 48 ASN HA 1 51 SER QB 2.000 . 5.000 3.142 2.603 3.714 . 0 0 "[ . 1 .]" 1
594 1 48 ASN HB2 1 49 VAL H 2.000 . 3.000 2.810 2.638 2.960 . 0 0 "[ . 1 .]" 1
595 1 48 ASN HB3 1 49 VAL H 2.000 . 5.000 3.412 3.291 3.601 . 0 0 "[ . 1 .]" 1
596 1 49 VAL H 1 49 VAL HB 2.000 . 2.700 2.523 2.373 2.698 . 0 0 "[ . 1 .]" 1
597 1 49 VAL H 1 49 VAL MG1 2.000 . 6.500 3.780 3.745 3.795 . 0 0 "[ . 1 .]" 1
598 1 49 VAL H 1 49 VAL MG2 2.000 . 4.200 2.310 1.886 2.624 . 0 0 "[ . 1 .]" 1
599 1 49 VAL H 1 50 ALA H 2.000 . 2.700 2.340 2.321 2.360 . 0 0 "[ . 1 .]" 1
600 1 49 VAL H 1 50 ALA HA 2.000 . 5.000 5.035 5.020 5.048 0.048 15 0 "[ . 1 .]" 1
601 1 49 VAL H 1 50 ALA MB 2.000 . 6.500 4.043 3.962 4.094 . 0 0 "[ . 1 .]" 1
602 1 49 VAL H 1 51 SER H 2.000 . 5.000 3.889 3.724 4.135 . 0 0 "[ . 1 .]" 1
603 1 49 VAL HA 1 49 VAL MG1 2.000 . 4.200 2.333 2.141 2.464 . 0 0 "[ . 1 .]" 1
604 1 49 VAL HA 1 49 VAL MG2 2.000 . 4.200 2.359 2.156 2.567 . 0 0 "[ . 1 .]" 1
605 1 49 VAL HA 1 50 ALA H 2.000 . 5.000 3.489 3.480 3.510 . 0 0 "[ . 1 .]" 1
606 1 49 VAL HA 1 52 HIS H 2.000 . 3.500 3.485 3.311 3.522 0.022 11 0 "[ . 1 .]" 1
607 1 49 VAL HA 1 52 HIS HB3 2.000 . 3.500 3.318 2.704 3.505 0.005 11 0 "[ . 1 .]" 1
608 1 49 VAL HA 1 53 LEU H 2.000 . 5.000 4.434 4.087 4.822 . 0 0 "[ . 1 .]" 1
609 1 49 VAL HB 1 50 ALA H 2.000 . 3.500 2.926 2.816 2.989 . 0 0 "[ . 1 .]" 1
610 1 49 VAL MG1 1 50 ALA H 2.000 . 6.500 3.763 3.584 4.002 . 0 0 "[ . 1 .]" 1
611 1 49 VAL MG2 1 50 ALA H 2.000 . 5.000 3.886 3.630 4.064 . 0 0 "[ . 1 .]" 1
612 1 50 ALA H 1 50 ALA MB 2.000 . 4.200 2.201 2.077 2.269 . 0 0 "[ . 1 .]" 1
613 1 50 ALA H 1 51 SER H 2.000 . 2.700 2.472 2.390 2.542 . 0 0 "[ . 1 .]" 1
614 1 50 ALA HA 1 51 SER H 2.000 . 5.000 3.465 3.443 3.550 . 0 0 "[ . 1 .]" 1
615 1 50 ALA HA 1 52 HIS H 2.000 . 5.000 4.600 4.499 4.714 . 0 0 "[ . 1 .]" 1
616 1 50 ALA HA 1 53 LEU H 2.000 . 3.500 3.494 3.428 3.510 0.010 14 0 "[ . 1 .]" 1
617 1 50 ALA HA 1 53 LEU HB3 2.000 . 3.500 2.745 2.600 2.930 . 0 0 "[ . 1 .]" 1
618 1 50 ALA HA 1 54 GLN H 2.000 . 5.000 4.287 3.952 4.600 . 0 0 "[ . 1 .]" 1
619 1 50 ALA MB 1 51 SER H 2.000 . 4.200 2.903 2.552 3.004 . 0 0 "[ . 1 .]" 1
620 1 50 ALA MB 1 52 HIS H 2.000 . 6.500 4.829 4.524 4.925 . 0 0 "[ . 1 .]" 1
621 1 50 ALA MB 1 54 GLN H 2.000 . 6.500 4.693 4.442 4.940 . 0 0 "[ . 1 .]" 1
622 1 51 SER H 1 51 SER QB 2.000 . 4.200 2.313 2.185 2.564 . 0 0 "[ . 1 .]" 1
623 1 51 SER H 1 52 HIS H 2.000 . 2.700 2.561 2.469 2.687 . 0 0 "[ . 1 .]" 1
624 1 51 SER H 1 52 HIS HB3 2.000 . 5.000 4.768 4.620 4.957 . 0 0 "[ . 1 .]" 1
625 1 51 SER H 1 53 LEU HB3 2.000 . 5.000 5.007 4.954 5.027 0.027 6 0 "[ . 1 .]" 1
626 1 51 SER HA 1 51 SER QB 2.000 . 4.200 2.432 2.318 2.493 . 0 0 "[ . 1 .]" 1
627 1 51 SER HA 1 52 HIS H 2.000 . 5.000 3.571 3.549 3.584 . 0 0 "[ . 1 .]" 1
628 1 51 SER HA 1 54 GLN H 2.000 . 3.500 3.332 3.147 3.525 0.025 6 0 "[ . 1 .]" 1
629 1 51 SER HA 1 54 GLN QB 2.000 . 4.200 2.656 2.334 3.104 . 0 0 "[ . 1 .]" 1
630 1 51 SER QB 1 52 HIS H 2.000 . 5.000 2.502 2.347 2.661 . 0 0 "[ . 1 .]" 1
631 1 51 SER QB 1 54 GLN H 2.000 . 6.500 4.726 4.494 5.037 . 0 0 "[ . 1 .]" 1
632 1 52 HIS H 1 52 HIS HB2 2.000 . 2.700 2.551 2.428 2.712 0.012 6 0 "[ . 1 .]" 1
633 1 52 HIS H 1 52 HIS HB3 2.000 . 2.700 2.573 2.418 2.698 . 0 0 "[ . 1 .]" 1
634 1 52 HIS H 1 53 LEU H 2.000 . 2.700 2.625 2.471 2.714 0.014 7 0 "[ . 1 .]" 1
635 1 52 HIS HA 1 52 HIS HB2 2.000 . 2.700 2.486 2.415 2.571 . 0 0 "[ . 1 .]" 1
636 1 52 HIS HA 1 53 LEU H 2.000 . 5.000 3.509 3.485 3.542 . 0 0 "[ . 1 .]" 1
637 1 52 HIS HA 1 55 LYS QB 2.000 . 5.000 2.857 2.255 3.383 . 0 0 "[ . 1 .]" 1
638 1 52 HIS HB2 1 53 LEU H 2.000 . 5.000 3.996 3.898 4.124 . 0 0 "[ . 1 .]" 1
639 1 52 HIS HB3 1 53 LEU H 2.000 . 3.500 2.842 2.652 2.949 . 0 0 "[ . 1 .]" 1
640 1 53 LEU H 1 53 LEU HB2 2.000 . 2.700 2.663 2.557 2.709 0.009 9 0 "[ . 1 .]" 1
641 1 53 LEU H 1 53 LEU HB3 2.000 . 2.700 2.484 2.435 2.536 . 0 0 "[ . 1 .]" 1
642 1 53 LEU H 1 53 LEU MD1 2.000 . 6.500 4.141 4.069 4.214 . 0 0 "[ . 1 .]" 1
643 1 53 LEU H 1 53 LEU MD2 2.000 . 6.500 4.235 4.181 4.295 . 0 0 "[ . 1 .]" 1
644 1 53 LEU H 1 53 LEU HG 2.000 . 5.000 4.390 4.364 4.412 . 0 0 "[ . 1 .]" 1
645 1 53 LEU H 1 54 GLN H 2.000 . 2.700 2.507 2.392 2.694 . 0 0 "[ . 1 .]" 1
646 1 53 LEU HA 1 53 LEU HB2 2.000 . 2.700 2.463 2.437 2.485 . 0 0 "[ . 1 .]" 1
647 1 53 LEU HA 1 53 LEU MD1 2.000 . 4.200 2.334 2.032 2.536 . 0 0 "[ . 1 .]" 1
648 1 53 LEU HA 1 53 LEU MD2 2.000 . 6.500 3.872 3.836 3.899 . 0 0 "[ . 1 .]" 1
649 1 53 LEU HA 1 53 LEU HG 2.000 . 3.500 2.767 2.661 2.980 . 0 0 "[ . 1 .]" 1
650 1 53 LEU HA 1 54 GLN H 2.000 . 5.000 3.527 3.471 3.580 . 0 0 "[ . 1 .]" 1
651 1 53 LEU HA 1 56 PHE H 2.000 . 3.500 3.425 3.208 3.491 . 0 0 "[ . 1 .]" 1
652 1 53 LEU HA 1 56 PHE HB2 2.000 . 5.000 3.432 3.055 3.837 . 0 0 "[ . 1 .]" 1
653 1 53 LEU HA 1 56 PHE HB3 2.000 . 3.500 3.268 2.664 3.518 0.018 13 0 "[ . 1 .]" 1
654 1 53 LEU HA 1 57 ARG H 2.000 . 5.000 4.448 3.790 5.011 0.011 12 0 "[ . 1 .]" 1
655 1 53 LEU QB 1 54 GLN H 2.000 . 4.200 2.699 2.385 2.954 . 0 0 "[ . 1 .]" 1
656 1 53 LEU HB2 1 53 LEU MD1 2.000 . 4.200 2.122 1.995 2.232 . 0 0 "[ . 1 .]" 1
657 1 53 LEU HB2 1 53 LEU MD2 2.000 . 4.200 2.599 2.398 2.702 . 0 0 "[ . 1 .]" 1
658 1 53 LEU HB3 1 53 LEU MD1 2.000 . 5.000 3.135 3.109 3.175 . 0 0 "[ . 1 .]" 1
659 1 53 LEU HB3 1 53 LEU MD2 2.000 . 4.200 2.138 1.987 2.298 . 0 0 "[ . 1 .]" 1
660 1 53 LEU HB3 1 53 LEU HG 2.000 . 2.700 2.637 2.512 2.673 . 0 0 "[ . 1 .]" 1
661 1 53 LEU MD1 1 54 GLN H 2.000 . 6.500 4.717 4.594 4.873 . 0 0 "[ . 1 .]" 1
662 1 53 LEU MD1 1 57 ARG QD 2.000 . 6.500 4.227 3.712 4.752 . 0 0 "[ . 1 .]" 1
663 1 53 LEU MD2 1 54 GLN H 2.000 . 6.500 4.090 3.641 4.645 . 0 0 "[ . 1 .]" 1
664 1 54 GLN H 1 54 GLN QB 2.000 . 4.200 2.220 2.177 2.355 . 0 0 "[ . 1 .]" 1
665 1 54 GLN H 1 55 LYS H 2.000 . 2.700 2.550 2.435 2.647 . 0 0 "[ . 1 .]" 1
666 1 54 GLN HA 1 54 GLN QB 2.000 . 4.200 2.476 2.418 2.494 . 0 0 "[ . 1 .]" 1
667 1 54 GLN HA 1 54 GLN HG2 2.000 . 3.500 2.232 2.036 2.792 . 0 0 "[ . 1 .]" 1
668 1 54 GLN HA 1 54 GLN HG3 2.000 . 3.500 3.139 2.581 3.555 0.055 5 0 "[ . 1 .]" 1
669 1 54 GLN HA 1 55 LYS H 2.000 . 5.000 3.514 3.450 3.557 . 0 0 "[ . 1 .]" 1
670 1 54 GLN HA 1 57 ARG QB 2.000 . 6.500 3.055 2.571 3.634 . 0 0 "[ . 1 .]" 1
671 1 54 GLN QB 1 55 LYS H 2.000 . 4.200 2.826 2.651 3.015 . 0 0 "[ . 1 .]" 1
672 1 54 GLN QB 1 58 VAL MG2 2.000 . 8.000 3.759 3.116 4.198 . 0 0 "[ . 1 .]" 1
673 1 55 LYS H 1 55 LYS QB 2.000 . 4.200 2.258 2.175 2.587 . 0 0 "[ . 1 .]" 1
674 1 55 LYS H 1 55 LYS QD 2.000 . 6.500 4.000 3.006 4.649 . 0 0 "[ . 1 .]" 1
675 1 55 LYS H 1 55 LYS QG 2.000 . 5.000 2.749 1.967 3.065 . 0 0 "[ . 1 .]" 1
676 1 55 LYS H 1 56 PHE H 2.000 . 2.700 2.522 2.375 2.715 0.015 13 0 "[ . 1 .]" 1
677 1 55 LYS HA 1 55 LYS QB 2.000 . 4.200 2.461 2.340 2.495 . 0 0 "[ . 1 .]" 1
678 1 55 LYS HA 1 55 LYS QD 2.000 . 5.000 3.358 1.842 4.167 . 0 0 "[ . 1 .]" 1
679 1 55 LYS HA 1 55 LYS HG2 2.000 . 3.500 2.439 2.028 2.920 . 0 0 "[ . 1 .]" 1
680 1 55 LYS HA 1 55 LYS HG3 2.000 . 3.500 3.068 2.237 3.551 0.051 8 0 "[ . 1 .]" 1
681 1 55 LYS HA 1 56 PHE H 2.000 . 5.000 3.509 3.460 3.552 . 0 0 "[ . 1 .]" 1
682 1 55 LYS HA 1 57 ARG H 2.000 . 5.000 4.580 4.333 4.964 . 0 0 "[ . 1 .]" 1
683 1 55 LYS HA 1 58 VAL H 2.000 . 5.000 3.515 3.361 3.808 . 0 0 "[ . 1 .]" 1
684 1 55 LYS HA 1 58 VAL HB 2.000 . 2.700 2.701 2.650 2.716 0.016 5 0 "[ . 1 .]" 1
685 1 55 LYS HA 1 58 VAL MG1 2.000 . 6.500 4.002 3.850 4.098 . 0 0 "[ . 1 .]" 1
686 1 55 LYS HA 1 58 VAL MG2 2.000 . 5.000 3.079 2.684 3.386 . 0 0 "[ . 1 .]" 1
687 1 55 LYS HA 1 59 ALA H 2.000 . 5.000 4.239 3.990 4.479 . 0 0 "[ . 1 .]" 1
688 1 55 LYS QB 1 56 PHE H 2.000 . 4.200 2.850 2.685 2.979 . 0 0 "[ . 1 .]" 1
689 1 55 LYS QD 1 56 PHE H 2.000 . 6.500 4.958 4.478 5.298 . 0 0 "[ . 1 .]" 1
690 1 55 LYS QG 1 56 PHE H 2.000 . 6.500 4.343 3.909 4.479 . 0 0 "[ . 1 .]" 1
691 1 56 PHE H 1 56 PHE HB2 2.000 . 2.700 2.521 2.439 2.676 . 0 0 "[ . 1 .]" 1
692 1 56 PHE H 1 56 PHE HB3 2.000 . 2.700 2.633 2.436 2.719 0.019 6 0 "[ . 1 .]" 1
693 1 56 PHE H 1 57 ARG H 2.000 . 2.700 2.623 2.537 2.716 0.016 15 0 "[ . 1 .]" 1
694 1 56 PHE H 1 57 ARG QB 2.000 . 6.500 4.498 4.288 4.820 . 0 0 "[ . 1 .]" 1
695 1 56 PHE H 1 58 VAL H 2.000 . 5.000 3.987 3.774 4.102 . 0 0 "[ . 1 .]" 1
696 1 56 PHE H 1 58 VAL MG2 2.000 . 6.500 5.118 4.838 5.328 . 0 0 "[ . 1 .]" 1
697 1 56 PHE HA 1 56 PHE HB2 2.000 . 2.700 2.534 2.432 2.586 . 0 0 "[ . 1 .]" 1
698 1 56 PHE HA 1 56 PHE HD1 2.000 . 3.000 2.044 1.864 2.785 . 0 0 "[ . 1 .]" 1
699 1 56 PHE HA 1 57 ARG H 2.000 . 5.000 3.577 3.551 3.596 . 0 0 "[ . 1 .]" 1
700 1 56 PHE HA 1 59 ALA H 2.000 . 5.000 3.120 3.005 3.242 . 0 0 "[ . 1 .]" 1
701 1 56 PHE HA 1 59 ALA HA 2.000 . 5.000 5.070 5.053 5.087 0.087 15 0 "[ . 1 .]" 1
702 1 56 PHE HA 1 59 ALA MB 2.000 . 5.000 2.298 2.131 2.481 . 0 0 "[ . 1 .]" 1
703 1 56 PHE HB2 1 56 PHE HD1 2.000 . 3.000 2.871 2.505 3.001 0.001 11 0 "[ . 1 .]" 1
704 1 56 PHE HB2 1 57 ARG H 2.000 . 5.000 3.766 3.640 3.883 . 0 0 "[ . 1 .]" 1
705 1 56 PHE HB3 1 56 PHE HD2 2.000 . 3.000 2.353 2.323 2.398 . 0 0 "[ . 1 .]" 1
706 1 56 PHE HB3 1 57 ARG H 2.000 . 3.000 2.497 2.336 2.673 . 0 0 "[ . 1 .]" 1
707 1 57 ARG H 1 57 ARG HB2 2.000 . 2.700 2.396 2.125 2.688 . 0 0 "[ . 1 .]" 1
708 1 57 ARG H 1 57 ARG QD 2.000 . 6.500 3.581 1.884 4.363 . 0 0 "[ . 1 .]" 1
709 1 57 ARG H 1 57 ARG HG2 2.000 . 5.000 3.516 1.889 4.689 . 0 0 "[ . 1 .]" 1
710 1 57 ARG H 1 57 ARG HG3 2.000 . 5.000 3.123 2.305 4.314 . 0 0 "[ . 1 .]" 1
711 1 57 ARG H 1 58 VAL H 2.000 . 2.700 2.703 2.641 2.724 0.024 1 0 "[ . 1 .]" 1
712 1 57 ARG H 1 58 VAL MG2 2.000 . 6.500 4.446 4.267 4.647 . 0 0 "[ . 1 .]" 1
713 1 57 ARG HA 1 58 VAL H 2.000 . 5.000 3.550 3.533 3.566 . 0 0 "[ . 1 .]" 1
714 1 57 ARG HA 1 60 LEU H 2.000 . 5.000 3.190 3.131 3.268 . 0 0 "[ . 1 .]" 1
715 1 57 ARG HA 1 60 LEU HB3 2.000 . 3.500 3.557 3.543 3.577 0.077 12 0 "[ . 1 .]" 1
716 1 57 ARG HA 1 60 LEU MD1 2.000 . 6.500 2.430 1.908 3.027 . 0 0 "[ . 1 .]" 1
717 1 57 ARG QB 1 58 VAL H 2.000 . 5.000 2.575 2.464 2.737 . 0 0 "[ . 1 .]" 1
718 1 57 ARG QG 1 58 VAL H 2.000 . 6.500 4.135 3.758 4.537 . 0 0 "[ . 1 .]" 1
719 1 58 VAL H 1 58 VAL HB 2.000 . 2.700 2.393 2.311 2.492 . 0 0 "[ . 1 .]" 1
720 1 58 VAL H 1 58 VAL MG1 2.000 . 6.500 3.746 3.715 3.769 . 0 0 "[ . 1 .]" 1
721 1 58 VAL H 1 58 VAL MG2 2.000 . 4.200 2.390 2.195 2.593 . 0 0 "[ . 1 .]" 1
722 1 58 VAL H 1 59 ALA H 2.000 . 2.700 2.554 2.521 2.602 . 0 0 "[ . 1 .]" 1
723 1 58 VAL H 1 59 ALA MB 2.000 . 6.500 4.256 4.174 4.317 . 0 0 "[ . 1 .]" 1
724 1 58 VAL H 1 60 LEU H 2.000 . 5.000 3.714 3.669 3.758 . 0 0 "[ . 1 .]" 1
725 1 58 VAL HA 1 58 VAL MG1 2.000 . 4.200 2.445 2.394 2.557 . 0 0 "[ . 1 .]" 1
726 1 58 VAL HA 1 58 VAL MG2 2.000 . 4.200 2.271 2.169 2.363 . 0 0 "[ . 1 .]" 1
727 1 58 VAL HA 1 59 ALA H 2.000 . 5.000 3.523 3.497 3.551 . 0 0 "[ . 1 .]" 1
728 1 58 VAL HA 1 61 LYS H 2.000 . 5.000 3.659 3.160 4.398 . 0 0 "[ . 1 .]" 1
729 1 58 VAL HB 1 59 ALA H 2.000 . 3.500 2.716 2.563 2.837 . 0 0 "[ . 1 .]" 1
730 1 58 VAL MG1 1 59 ALA H 2.000 . 6.500 3.388 3.203 3.603 . 0 0 "[ . 1 .]" 1
731 1 58 VAL MG1 1 59 ALA HA 2.000 . 6.500 3.443 3.208 3.588 . 0 0 "[ . 1 .]" 1
732 1 58 VAL MG2 1 59 ALA H 2.000 . 6.500 3.959 3.855 4.035 . 0 0 "[ . 1 .]" 1
733 1 59 ALA H 1 59 ALA MB 2.000 . 4.200 2.200 2.096 2.289 . 0 0 "[ . 1 .]" 1
734 1 59 ALA H 1 60 LEU H 2.000 . 3.000 2.422 2.345 2.526 . 0 0 "[ . 1 .]" 1
735 1 59 ALA HA 1 60 LEU H 2.000 . 5.000 3.385 3.363 3.401 . 0 0 "[ . 1 .]" 1
736 1 59 ALA HA 1 61 LYS H 2.000 . 5.000 3.727 3.193 4.183 . 0 0 "[ . 1 .]" 1
737 1 59 ALA HA 1 62 LYS H 2.000 . 5.000 4.193 3.166 5.091 0.091 12 0 "[ . 1 .]" 1
738 1 59 ALA MB 1 60 LEU H 2.000 . 5.000 3.080 3.013 3.132 . 0 0 "[ . 1 .]" 1
739 1 59 ALA MB 1 61 LYS H 2.000 . 6.500 4.424 4.139 4.660 . 0 0 "[ . 1 .]" 1
740 1 60 LEU H 1 60 LEU HB2 2.000 . 2.700 2.207 2.158 2.272 . 0 0 "[ . 1 .]" 1
741 1 60 LEU H 1 60 LEU HB3 2.000 . 4.500 3.503 3.486 3.528 . 0 0 "[ . 1 .]" 1
742 1 60 LEU H 1 60 LEU MD1 2.000 . 6.500 3.806 3.590 4.074 . 0 0 "[ . 1 .]" 1
743 1 60 LEU H 1 60 LEU MD2 2.000 . 6.500 4.095 3.905 4.326 . 0 0 "[ . 1 .]" 1
744 1 60 LEU H 1 60 LEU HG 2.000 . 3.500 3.159 2.962 3.360 . 0 0 "[ . 1 .]" 1
745 1 60 LEU H 1 61 LYS H 2.000 . 5.000 2.369 2.116 2.664 . 0 0 "[ . 1 .]" 1
746 1 60 LEU H 1 61 LYS QB 2.000 . 6.500 4.334 3.768 5.083 . 0 0 "[ . 1 .]" 1
747 1 60 LEU H 1 62 LYS H 2.000 . 5.000 4.346 3.681 5.008 0.008 1 0 "[ . 1 .]" 1
748 1 60 LEU HA 1 60 LEU HB3 2.000 . 2.700 2.679 2.673 2.682 . 0 0 "[ . 1 .]" 1
749 1 60 LEU HA 1 60 LEU MD1 2.000 . 6.500 3.729 3.703 3.742 . 0 0 "[ . 1 .]" 1
750 1 60 LEU HA 1 60 LEU MD2 2.000 . 4.200 2.094 1.849 2.382 . 0 0 "[ . 1 .]" 1
751 1 60 LEU HA 1 60 LEU HG 2.000 . 3.500 2.535 2.351 2.726 . 0 0 "[ . 1 .]" 1
752 1 60 LEU HA 1 61 LYS H 2.000 . 3.500 3.359 3.236 3.498 . 0 0 "[ . 1 .]" 1
753 1 60 LEU HA 1 63 VAL HB 2.000 . 5.000 4.407 3.026 4.989 . 0 0 "[ . 1 .]" 1
754 1 60 LEU QB 1 61 LYS H 2.000 . 5.000 3.239 2.900 3.471 . 0 0 "[ . 1 .]" 1
755 1 60 LEU HB2 1 60 LEU MD1 2.000 . 4.200 2.256 2.113 2.440 . 0 0 "[ . 1 .]" 1
756 1 60 LEU HB2 1 60 LEU MD2 2.000 . 5.000 3.169 3.129 3.191 . 0 0 "[ . 1 .]" 1
757 1 60 LEU HB2 1 60 LEU HG 2.000 . 2.700 2.543 2.447 2.642 . 0 0 "[ . 1 .]" 1
758 1 60 LEU HB2 1 63 VAL MG1 2.000 . 6.500 4.709 3.558 5.270 . 0 0 "[ . 1 .]" 1
759 1 60 LEU HB3 1 60 LEU MD1 2.000 . 4.200 2.426 2.230 2.567 . 0 0 "[ . 1 .]" 1
760 1 60 LEU HB3 1 60 LEU MD2 2.000 . 4.200 2.201 2.039 2.339 . 0 0 "[ . 1 .]" 1
761 1 60 LEU HG 1 61 LYS H 2.000 . 5.000 4.888 4.790 5.006 0.006 2 0 "[ . 1 .]" 1
762 1 61 LYS H 1 61 LYS QB 2.000 . 4.200 2.576 2.124 3.162 . 0 0 "[ . 1 .]" 1
763 1 61 LYS H 1 61 LYS QG 2.000 . 5.000 3.147 1.834 4.197 . 0 0 "[ . 1 .]" 1
764 1 61 LYS H 1 62 LYS H 2.000 . 3.500 2.561 1.911 3.239 . 0 0 "[ . 1 .]" 1
765 1 61 LYS HA 1 61 LYS QD 2.000 . 6.500 3.778 2.349 4.430 . 0 0 "[ . 1 .]" 1
766 1 61 LYS HA 1 62 LYS H 2.000 . 3.500 3.317 2.395 3.569 0.069 13 0 "[ . 1 .]" 1
767 1 61 LYS QG 1 62 LYS H 2.000 . 4.200 3.338 2.348 3.911 . 0 0 "[ . 1 .]" 1
768 1 62 LYS H 1 62 LYS QB 2.000 . 4.200 2.551 2.124 3.118 . 0 0 "[ . 1 .]" 1
769 1 62 LYS H 1 62 LYS QD 2.000 . 7.500 4.098 2.295 5.005 . 0 0 "[ . 1 .]" 1
770 1 62 LYS H 1 62 LYS QG 2.000 . 5.000 3.334 1.876 4.303 . 0 0 "[ . 1 .]" 1
771 1 62 LYS HB2 1 63 VAL H 2.000 . 5.000 4.182 2.927 4.686 . 0 0 "[ . 1 .]" 1
772 1 62 LYS QG 1 63 VAL H 2.000 . 6.500 3.969 1.854 4.557 . 0 0 "[ . 1 .]" 1
773 1 63 VAL H 1 63 VAL MG1 2.000 . 6.500 2.466 1.866 3.872 . 0 0 "[ . 1 .]" 1
774 1 63 VAL H 1 63 VAL MG2 2.000 . 5.000 3.360 1.863 4.030 . 0 0 "[ . 1 .]" 1
775 1 63 VAL HA 1 64 SER H 2.000 . 2.700 2.351 2.190 2.644 . 0 0 "[ . 1 .]" 1
776 1 63 VAL HB 1 64 SER H 2.000 . 5.000 4.022 2.305 4.679 . 0 0 "[ . 1 .]" 1
777 1 63 VAL MG1 1 64 SER H 2.000 . 6.500 3.692 1.904 4.102 . 0 0 "[ . 1 .]" 1
778 1 63 VAL MG2 1 64 SER H 2.000 . 6.500 3.062 1.881 4.342 . 0 0 "[ . 1 .]" 1
779 1 64 SER H 1 64 SER QB 2.000 . 6.500 2.694 2.096 3.454 . 0 0 "[ . 1 .]" 1
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