NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
306403 |
1p6r   |
5873 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1p6r
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 745
_Distance_constraint_stats_list.Viol_count 1127
_Distance_constraint_stats_list.Viol_total 3541.312
_Distance_constraint_stats_list.Viol_max 0.882
_Distance_constraint_stats_list.Viol_rms 0.0690
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0132
_Distance_constraint_stats_list.Viol_average_violations_only 0.1654
_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 5 PRO 2.065 0.346 8 0 "[ . 1 . ]"
1 6 GLN 0.705 0.318 18 0 "[ . 1 . ]"
1 7 ILE 1.525 0.465 17 0 "[ . 1 . ]"
1 8 SER 8.370 0.616 16 2 "[ . 1 .+- ]"
1 9 ASP 0.748 0.176 5 0 "[ . 1 . ]"
1 10 ALA 0.295 0.059 19 0 "[ . 1 . ]"
1 11 GLU 4.639 0.616 16 2 "[ . 1 .+- ]"
1 12 LEU 2.934 0.302 7 0 "[ . 1 . ]"
1 13 GLU 4.115 0.350 7 0 "[ . 1 . ]"
1 14 VAL 2.985 0.222 14 0 "[ . 1 . ]"
1 15 MET 6.206 0.548 8 1 "[ . + 1 . ]"
1 16 LYS 3.480 0.839 17 1 "[ . 1 . + ]"
1 17 VAL 1.319 0.183 4 0 "[ . 1 . ]"
1 18 ILE 3.587 0.781 19 3 "[ . 1 * .- +]"
1 19 TRP 3.464 0.548 8 1 "[ . + 1 . ]"
1 20 LYS 0.664 0.583 1 1 "[+ . 1 . ]"
1 21 HIS 1.321 0.165 12 0 "[ . 1 . ]"
1 22 SER 1.132 0.380 8 0 "[ . 1 . ]"
1 23 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 24 ILE 1.357 0.165 12 0 "[ . 1 . ]"
1 25 ASN 0.621 0.517 17 1 "[ . 1 . + ]"
1 26 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 27 ASN 3.430 0.423 4 0 "[ . 1 . ]"
1 28 GLU 11.617 0.633 19 3 "[ - .* 1 . +]"
1 29 VAL 0.098 0.065 7 0 "[ . 1 . ]"
1 30 ILE 3.179 0.423 4 0 "[ . 1 . ]"
1 31 LYS 0.451 0.451 18 0 "[ . 1 . ]"
1 32 GLU 0.779 0.079 14 0 "[ . 1 . ]"
1 33 LEU 3.730 0.781 19 3 "[ . 1 * .- +]"
1 34 SER 0.245 0.038 8 0 "[ . 1 . ]"
1 35 LYS 1.541 0.763 16 2 "[ . -1 .+ ]"
1 36 THR 0.147 0.030 18 0 "[ . 1 . ]"
1 37 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 38 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 39 TRP 1.887 0.152 12 0 "[ . 1 . ]"
1 40 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 41 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 42 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 43 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 44 ILE 3.858 0.761 15 6 "[- . * + ***]"
1 45 GLN 2.545 0.882 9 2 "[ .- +1 . ]"
1 46 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 47 MET 5.943 0.788 4 4 "[ +.*- 1 * . ]"
1 48 LEU 10.186 0.882 9 2 "[ .- +1 . ]"
1 49 LEU 25.577 0.862 13 19 [************+******]
1 50 ARG 12.059 0.669 8 2 "[ . + 1 - . ]"
1 51 LEU 5.577 0.576 9 1 "[ . +1 . ]"
1 52 ILE 11.004 0.473 8 0 "[ . 1 . ]"
1 53 LYS 0.482 0.177 8 0 "[ . 1 . ]"
1 54 LYS 4.238 0.383 6 0 "[ . 1 . ]"
1 55 GLY 0.310 0.177 8 0 "[ . 1 . ]"
1 56 ALA 1.003 0.473 8 0 "[ . 1 . ]"
1 57 LEU 2.363 0.576 9 1 "[ . +1 . ]"
1 58 ASN 3.858 0.612 5 1 "[ + 1 . ]"
1 59 HIS 1.354 0.428 9 0 "[ . 1 . ]"
1 60 HIS 2.310 0.483 19 0 "[ . 1 . ]"
1 61 LYS 1.328 0.276 8 0 "[ . 1 . ]"
1 62 GLU 4.024 0.169 10 0 "[ . 1 . ]"
1 64 ARG 15.059 0.869 4 9 "[** +.* *1 *** -]"
1 65 VAL 0.261 0.228 14 0 "[ . 1 . ]"
1 66 PHE 0.456 0.228 14 0 "[ . 1 . ]"
1 67 VAL 1.091 0.517 17 1 "[ . 1 . + ]"
1 68 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 69 THR 0.156 0.131 5 0 "[ . 1 . ]"
1 70 PRO 0.529 0.145 8 0 "[ . 1 . ]"
1 71 ASN 9.946 0.844 3 6 "[ *+ - 1 ** *]"
1 72 ILE 6.534 0.844 3 6 "[ *+ - 1 ** *]"
1 73 ASP 1.229 0.249 3 0 "[ . 1 . ]"
1 74 GLU 1.567 0.540 7 1 "[ . + 1 . ]"
1 75 SER 7.977 0.406 6 0 "[ . 1 . ]"
1 76 ASP 0.661 0.436 3 0 "[ . 1 . ]"
1 77 TYR 0.469 0.278 14 0 "[ . 1 . ]"
1 78 ILE 3.146 0.757 4 3 "[- +. 1* . ]"
1 79 GLU 0.944 0.186 18 0 "[ . 1 . ]"
1 80 VAL 1.501 0.251 9 0 "[ . 1 . ]"
1 81 LYS 0.000 0.000 . 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 GLN H 1 6 GLN HB3 4.298 . 4.298 3.389 2.480 3.808 . 0 0 "[ . 1 . ]" 1
2 1 7 ILE H 1 7 ILE HG13 3.712 . 3.712 3.445 2.524 4.177 0.465 17 0 "[ . 1 . ]" 1
3 1 7 ILE MG 1 8 SER H 4.342 . 4.993 2.601 1.926 3.252 . 0 0 "[ . 1 . ]" 1
4 1 8 SER H 1 11 GLU HB3 . . 3.389 3.630 3.381 4.005 0.616 16 2 "[ . 1 .+- ]" 1
5 1 8 SER HA 1 9 ASP H . . 3.152 2.489 2.269 2.645 . 0 0 "[ . 1 . ]" 1
6 1 8 SER HB3 1 9 ASP H 3.861 . 3.861 3.406 2.603 4.017 0.156 1 0 "[ . 1 . ]" 1
7 1 8 SER HB2 1 9 ASP H 5.360 . 5.360 3.138 2.289 4.251 . 0 0 "[ . 1 . ]" 1
8 1 9 ASP H 1 9 ASP HB2 . . 3.276 2.626 2.450 3.452 0.176 5 0 "[ . 1 . ]" 1
9 1 9 ASP HB2 1 10 ALA H 4.115 . 4.115 3.822 3.662 3.971 . 0 0 "[ . 1 . ]" 1
10 1 10 ALA H 1 10 ALA MB 3.308 . 4.066 2.232 2.204 2.247 . 0 0 "[ . 1 . ]" 1
11 1 10 ALA H 1 11 GLU H 4.221 . 4.221 2.838 2.756 2.928 . 0 0 "[ . 1 . ]" 1
12 1 10 ALA HA 1 11 GLU H 4.178 . 4.178 3.562 3.456 3.588 . 0 0 "[ . 1 . ]" 1
13 1 10 ALA MB 1 11 GLU H 3.899 . 4.899 2.562 2.342 3.078 . 0 0 "[ . 1 . ]" 1
14 1 11 GLU H 1 11 GLU HB3 4.093 . 4.093 3.574 3.509 3.621 . 0 0 "[ . 1 . ]" 1
15 1 11 GLU H 1 11 GLU HG2 4.426 . 4.426 3.638 3.356 3.916 . 0 0 "[ . 1 . ]" 1
16 1 11 GLU H 1 12 LEU H 3.580 . 3.580 2.630 2.191 2.992 . 0 0 "[ . 1 . ]" 1
17 1 11 GLU HB3 1 12 LEU H 5.247 . 5.247 3.562 3.257 3.819 . 0 0 "[ . 1 . ]" 1
18 1 12 LEU H 1 12 LEU HB3 . . 3.225 2.627 2.439 3.024 . 0 0 "[ . 1 . ]" 1
19 1 12 LEU H 1 13 GLU H 3.487 . 3.487 2.844 2.453 2.998 . 0 0 "[ . 1 . ]" 1
20 1 12 LEU HA 1 13 GLU H 5.113 . 5.113 3.613 3.580 3.644 . 0 0 "[ . 1 . ]" 1
21 1 12 LEU HB3 1 13 GLU H 4.176 . 4.176 2.726 2.586 2.987 . 0 0 "[ . 1 . ]" 1
22 1 13 GLU H 1 13 GLU HB3 3.675 . 3.675 3.416 2.101 3.645 . 0 0 "[ . 1 . ]" 1
23 1 13 GLU H 1 14 VAL H . . 3.569 2.851 2.715 2.997 . 0 0 "[ . 1 . ]" 1
24 1 13 GLU HA 1 14 VAL H 5.268 . 5.268 3.579 3.413 3.647 . 0 0 "[ . 1 . ]" 1
25 1 14 VAL H 1 14 VAL HB 3.438 . 3.438 3.133 2.108 3.660 0.222 14 0 "[ . 1 . ]" 1
26 1 14 VAL H 1 14 VAL QG 3.335 . 3.974 2.026 1.827 2.379 . 0 0 "[ . 1 . ]" 1
27 1 14 VAL H 1 15 MET H . . 3.717 2.652 2.259 2.952 . 0 0 "[ . 1 . ]" 1
28 1 14 VAL HA 1 15 MET H 5.372 . 5.372 3.587 3.542 3.622 . 0 0 "[ . 1 . ]" 1
29 1 14 VAL QG 1 15 MET H . . 5.296 2.577 2.236 3.160 . 0 0 "[ . 1 . ]" 1
30 1 15 MET H 1 15 MET HG3 . . 3.126 2.687 1.909 3.276 0.150 18 0 "[ . 1 . ]" 1
31 1 15 MET H 1 15 MET HG2 . . 3.193 2.567 1.984 3.154 . 0 0 "[ . 1 . ]" 1
32 1 15 MET H 1 16 LYS H . . 4.289 2.833 2.493 3.002 . 0 0 "[ . 1 . ]" 1
33 1 15 MET HA 1 16 LYS H 4.958 . 4.958 3.583 3.542 3.611 . 0 0 "[ . 1 . ]" 1
34 1 15 MET HB2 1 16 LYS H 3.577 . 3.577 2.450 2.289 2.700 . 0 0 "[ . 1 . ]" 1
35 1 15 MET HG3 1 16 LYS H 5.209 . 5.209 4.319 3.741 4.726 . 0 0 "[ . 1 . ]" 1
36 1 16 LYS H 1 17 VAL H 4.001 . 4.001 2.885 2.803 3.027 . 0 0 "[ . 1 . ]" 1
37 1 16 LYS HA 1 17 VAL H 4.691 . 4.691 3.623 3.565 3.658 . 0 0 "[ . 1 . ]" 1
38 1 16 LYS HB2 1 17 VAL H 3.758 . 3.758 3.725 2.817 3.941 0.183 4 0 "[ . 1 . ]" 1
39 1 17 VAL H 1 17 VAL HB . . 2.936 2.294 2.126 2.482 . 0 0 "[ . 1 . ]" 1
40 1 17 VAL H 1 17 VAL MG1 4.565 . 5.368 3.699 3.562 3.798 . 0 0 "[ . 1 . ]" 1
41 1 17 VAL H 1 18 ILE H . . 3.526 2.815 2.571 2.903 . 0 0 "[ . 1 . ]" 1
42 1 17 VAL HA 1 18 ILE H 5.937 . 5.937 3.605 3.562 3.630 . 0 0 "[ . 1 . ]" 1
43 1 17 VAL HB 1 18 ILE H . . 3.225 2.697 2.521 3.025 . 0 0 "[ . 1 . ]" 1
44 1 17 VAL MG1 1 18 ILE H 5.066 . 5.135 2.990 2.726 3.345 . 0 0 "[ . 1 . ]" 1
45 1 18 ILE H 1 18 ILE HB . . 2.989 2.504 2.366 2.686 . 0 0 "[ . 1 . ]" 1
46 1 18 ILE H 1 18 ILE QG . . 3.192 2.174 2.015 2.243 . 0 0 "[ . 1 . ]" 1
47 1 18 ILE H 1 18 ILE MD 4.950 . 5.950 3.530 3.138 3.895 . 0 0 "[ . 1 . ]" 1
48 1 18 ILE H 1 19 TRP H 3.610 . 3.610 2.851 2.741 2.959 . 0 0 "[ . 1 . ]" 1
49 1 18 ILE HB 1 19 TRP H . . 3.399 2.658 2.383 3.366 . 0 0 "[ . 1 . ]" 1
50 1 18 ILE QG 1 19 TRP H . . 5.376 4.129 3.807 4.379 . 0 0 "[ . 1 . ]" 1
51 1 18 ILE MG 1 19 TRP H 4.870 . 5.870 3.372 3.101 4.028 . 0 0 "[ . 1 . ]" 1
52 1 19 TRP H 1 19 TRP QB . . 3.128 2.187 1.967 2.438 . 0 0 "[ . 1 . ]" 1
53 1 19 TRP H 1 20 LYS H 3.789 . 3.789 2.801 2.360 3.008 . 0 0 "[ . 1 . ]" 1
54 1 19 TRP HA 1 20 LYS H 6.643 . 6.643 3.538 3.475 3.582 . 0 0 "[ . 1 . ]" 1
55 1 19 TRP QB 1 20 LYS H 3.931 . 3.931 2.986 2.748 3.334 . 0 0 "[ . 1 . ]" 1
56 1 20 LYS H 1 20 LYS HA . . 3.083 2.874 2.823 2.951 . 0 0 "[ . 1 . ]" 1
57 1 20 LYS H 1 21 HIS H 3.258 . 3.258 2.615 2.411 2.839 . 0 0 "[ . 1 . ]" 1
58 1 20 LYS HA 1 21 HIS H 5.030 . 5.030 3.528 3.459 3.597 . 0 0 "[ . 1 . ]" 1
59 1 21 HIS H 1 21 HIS HB3 4.390 . 4.390 3.165 2.201 3.643 . 0 0 "[ . 1 . ]" 1
60 1 21 HIS H 1 21 HIS HB2 3.600 . 3.600 2.613 2.393 3.579 . 0 0 "[ . 1 . ]" 1
61 1 22 SER HB2 1 23 SER H 4.528 . 4.528 2.948 2.324 3.122 . 0 0 "[ . 1 . ]" 1
62 1 23 SER HA 1 24 ILE H . . 3.083 2.978 2.879 3.040 . 0 0 "[ . 1 . ]" 1
63 1 23 SER HB2 1 24 ILE H 5.589 . 5.589 3.180 2.139 3.695 . 0 0 "[ . 1 . ]" 1
64 1 24 ILE H 1 24 ILE HG12 4.831 . 4.831 4.752 4.594 4.838 0.007 6 0 "[ . 1 . ]" 1
65 1 24 ILE H 1 24 ILE HG13 5.431 . 5.431 4.737 4.706 4.779 . 0 0 "[ . 1 . ]" 1
66 1 24 ILE H 1 24 ILE MG 3.483 . 4.200 2.488 2.395 2.674 . 0 0 "[ . 1 . ]" 1
67 1 24 ILE HA 1 25 ASN H 3.689 . 3.689 2.320 2.215 2.421 . 0 0 "[ . 1 . ]" 1
68 1 24 ILE HB 1 25 ASN H 5.089 . 5.089 4.148 3.906 4.254 . 0 0 "[ . 1 . ]" 1
69 1 24 ILE HG13 1 25 ASN H . . 3.431 2.540 2.146 2.759 . 0 0 "[ . 1 . ]" 1
70 1 24 ILE HG12 1 25 ASN H . . 3.749 2.819 2.431 3.152 . 0 0 "[ . 1 . ]" 1
71 1 24 ILE MG 1 25 ASN H 4.993 . 5.993 3.781 3.534 4.008 . 0 0 "[ . 1 . ]" 1
72 1 24 ILE MD 1 25 ASN H . . 5.106 4.073 3.831 4.283 . 0 0 "[ . 1 . ]" 1
73 1 26 THR H 1 27 ASN H . . 3.805 3.132 3.028 3.263 . 0 0 "[ . 1 . ]" 1
74 1 25 ASN HA 1 26 THR H . . 3.597 2.327 2.193 2.399 . 0 0 "[ . 1 . ]" 1
75 1 25 ASN QB 1 26 THR H . . 3.753 2.594 2.365 3.108 . 0 0 "[ . 1 . ]" 1
76 1 26 THR H 1 26 THR HB 4.318 . 4.318 2.902 2.704 3.327 . 0 0 "[ . 1 . ]" 1
77 1 26 THR HB 1 27 ASN H 4.272 . 4.272 2.893 2.581 3.235 . 0 0 "[ . 1 . ]" 1
78 1 26 THR MG 1 27 ASN H 4.729 . 5.729 3.932 3.715 4.142 . 0 0 "[ . 1 . ]" 1
79 1 27 ASN H 1 27 ASN HA . . 3.075 2.878 2.804 2.933 . 0 0 "[ . 1 . ]" 1
80 1 27 ASN H 1 65 VAL MG2 4.929 . 5.929 3.619 2.332 5.443 . 0 0 "[ . 1 . ]" 1
81 1 27 ASN H 1 27 ASN HB3 . . 3.576 2.604 2.382 3.650 0.074 3 0 "[ . 1 . ]" 1
82 1 27 ASN H 1 27 ASN HB2 . . 3.804 2.677 2.286 3.615 . 0 0 "[ . 1 . ]" 1
83 1 27 ASN H 1 28 GLU H . . 3.609 2.681 2.463 2.899 . 0 0 "[ . 1 . ]" 1
84 1 27 ASN HA 1 28 GLU H 6.231 . 6.231 3.593 3.551 3.638 . 0 0 "[ . 1 . ]" 1
85 1 27 ASN HB3 1 28 GLU H . . 3.998 2.678 2.378 3.905 . 0 0 "[ . 1 . ]" 1
86 1 28 GLU H 1 28 GLU HA . . 3.097 2.849 2.791 2.910 . 0 0 "[ . 1 . ]" 1
87 1 28 GLU H 1 28 GLU HB3 . . 3.539 3.543 3.441 3.606 0.067 4 0 "[ . 1 . ]" 1
88 1 28 GLU H 1 28 GLU HG2 . . 3.527 3.399 2.311 3.663 0.136 15 0 "[ . 1 . ]" 1
89 1 28 GLU HA 1 29 VAL H 5.774 . 5.774 3.601 3.583 3.628 . 0 0 "[ . 1 . ]" 1
90 1 28 GLU HB3 1 29 VAL H 4.190 . 4.190 3.506 3.312 3.745 . 0 0 "[ . 1 . ]" 1
91 1 29 VAL H 1 29 VAL HA . . 2.973 2.826 2.805 2.855 . 0 0 "[ . 1 . ]" 1
92 1 29 VAL H 1 29 VAL HB . . 2.918 2.181 2.130 2.270 . 0 0 "[ . 1 . ]" 1
93 1 29 VAL H 1 29 VAL MG2 3.292 . 4.292 3.542 3.332 3.658 . 0 0 "[ . 1 . ]" 1
94 1 29 VAL H 1 30 ILE H . . 3.419 2.902 2.728 2.995 . 0 0 "[ . 1 . ]" 1
95 1 29 VAL HA 1 30 ILE H 5.354 . 5.354 3.631 3.597 3.653 . 0 0 "[ . 1 . ]" 1
96 1 29 VAL HB 1 30 ILE H 3.608 . 3.608 3.534 3.357 3.673 0.065 7 0 "[ . 1 . ]" 1
97 1 30 ILE H 1 31 LYS H 3.810 . 3.810 2.846 2.762 2.935 . 0 0 "[ . 1 . ]" 1
98 1 30 ILE HA 1 31 LYS H 5.055 . 5.055 3.608 3.581 3.643 . 0 0 "[ . 1 . ]" 1
99 1 31 LYS H 1 31 LYS HA . . 3.060 2.817 2.755 2.856 . 0 0 "[ . 1 . ]" 1
100 1 31 LYS H 1 31 LYS HB2 . . 2.727 2.400 2.173 2.502 . 0 0 "[ . 1 . ]" 1
101 1 31 LYS HA 1 32 GLU H 4.390 . 4.390 3.614 3.589 3.660 . 0 0 "[ . 1 . ]" 1
102 1 32 GLU H 1 33 LEU H . . 3.282 2.928 2.756 3.112 . 0 0 "[ . 1 . ]" 1
103 1 32 GLU H 1 32 GLU HA . . 3.088 2.804 2.767 2.860 . 0 0 "[ . 1 . ]" 1
104 1 32 GLU H 1 32 GLU QG 3.979 . 3.979 3.933 3.519 4.058 0.079 14 0 "[ . 1 . ]" 1
105 1 32 GLU HA 1 33 LEU H 4.988 . 4.988 3.650 3.592 3.726 . 0 0 "[ . 1 . ]" 1
106 1 33 LEU H 1 33 LEU QB . . 2.966 2.208 1.973 2.358 . 0 0 "[ . 1 . ]" 1
107 1 30 ILE H 1 33 LEU H 5.990 . 5.990 4.880 4.841 5.041 . 0 0 "[ . 1 . ]" 1
108 1 33 LEU H 1 34 SER H 3.789 . 3.789 2.809 2.727 2.917 . 0 0 "[ . 1 . ]" 1
109 1 33 LEU HA 1 34 SER H 5.454 . 5.454 3.628 3.582 3.687 . 0 0 "[ . 1 . ]" 1
110 1 33 LEU QB 1 34 SER H 4.110 . 4.110 2.649 2.293 2.913 . 0 0 "[ . 1 . ]" 1
111 1 34 SER H 1 35 LYS H . . 4.224 2.847 2.622 2.959 . 0 0 "[ . 1 . ]" 1
112 1 35 LYS H 1 35 LYS QB . . 3.071 2.311 2.154 2.466 . 0 0 "[ . 1 . ]" 1
113 1 35 LYS HA 1 36 THR H 5.344 . 5.344 3.594 3.558 3.632 . 0 0 "[ . 1 . ]" 1
114 1 35 LYS QB 1 36 THR H 4.218 . 4.218 2.510 2.348 2.817 . 0 0 "[ . 1 . ]" 1
115 1 36 THR H 1 36 THR MG 4.346 . 4.805 2.409 2.106 2.820 . 0 0 "[ . 1 . ]" 1
116 1 36 THR H 1 37 SER H 4.947 . 4.947 2.660 2.421 2.829 . 0 0 "[ . 1 . ]" 1
117 1 36 THR HB 1 37 SER H 4.128 . 4.128 3.593 3.010 4.047 . 0 0 "[ . 1 . ]" 1
118 1 37 SER HA 1 38 THR H 4.987 . 4.987 2.227 2.181 2.278 . 0 0 "[ . 1 . ]" 1
119 1 39 TRP H 1 39 TRP HB3 3.553 . 3.553 3.626 3.554 3.705 0.152 12 0 "[ . 1 . ]" 1
120 1 39 TRP HA 1 40 SER H 3.970 . 3.970 2.344 2.218 2.751 . 0 0 "[ . 1 . ]" 1
121 1 40 SER H 1 43 THR HB 3.970 . 4.549 2.730 2.282 4.057 . 0 0 "[ . 1 . ]" 1
122 1 39 TRP HB3 1 40 SER H 4.559 . 4.559 2.982 2.121 3.718 . 0 0 "[ . 1 . ]" 1
123 1 42 LYS H 1 42 LYS HB2 4.364 . 4.364 2.575 2.215 3.623 . 0 0 "[ . 1 . ]" 1
124 1 42 LYS HA 1 43 THR H 5.173 . 5.173 3.602 3.568 3.621 . 0 0 "[ . 1 . ]" 1
125 1 43 THR H 1 43 THR HB . . 3.454 2.627 2.527 2.767 . 0 0 "[ . 1 . ]" 1
126 1 43 THR H 1 44 ILE H 3.981 . 3.981 2.749 2.598 2.907 . 0 0 "[ . 1 . ]" 1
127 1 43 THR HB 1 44 ILE H 3.761 . 3.761 2.392 2.275 2.514 . 0 0 "[ . 1 . ]" 1
128 1 44 ILE H 1 45 GLN H 3.474 . 3.474 2.852 2.642 2.960 . 0 0 "[ . 1 . ]" 1
129 1 44 ILE HA 1 45 GLN H 5.141 . 5.141 3.598 3.556 3.628 . 0 0 "[ . 1 . ]" 1
130 1 44 ILE MD 1 45 GLN H 4.569 . 5.569 4.550 4.447 4.699 . 0 0 "[ . 1 . ]" 1
131 1 45 GLN H 1 45 GLN HG3 3.686 . 3.686 2.584 2.165 3.713 0.027 6 0 "[ . 1 . ]" 1
132 1 45 GLN H 1 46 THR H 4.053 . 4.053 2.813 2.740 2.919 . 0 0 "[ . 1 . ]" 1
133 1 46 THR H 1 46 THR HB . . 3.248 2.642 2.600 2.732 . 0 0 "[ . 1 . ]" 1
134 1 46 THR H 1 46 THR MG 4.417 . 4.623 3.784 3.759 3.798 . 0 0 "[ . 1 . ]" 1
135 1 46 THR H 1 47 MET H 3.492 . 3.492 2.814 2.743 2.928 . 0 0 "[ . 1 . ]" 1
136 1 46 THR HB 1 47 MET H . . 3.932 2.592 2.345 2.882 . 0 0 "[ . 1 . ]" 1
137 1 46 THR MG 1 47 MET H 4.908 . 5.908 3.591 3.383 3.826 . 0 0 "[ . 1 . ]" 1
138 1 47 MET H 1 47 MET HB2 4.086 . 4.086 2.474 2.395 2.626 . 0 0 "[ . 1 . ]" 1
139 1 47 MET H 1 47 MET HG3 . . 3.363 2.646 2.113 3.740 0.377 4 0 "[ . 1 . ]" 1
140 1 47 MET H 1 48 LEU H 3.641 . 3.641 2.834 2.772 2.916 . 0 0 "[ . 1 . ]" 1
141 1 47 MET HA 1 48 LEU H 3.885 . 3.885 3.612 3.576 3.743 . 0 0 "[ . 1 . ]" 1
142 1 47 MET HB2 1 48 LEU H 4.493 . 4.493 2.568 2.437 2.783 . 0 0 "[ . 1 . ]" 1
143 1 47 MET HG3 1 48 LEU H 5.835 . 5.835 4.562 4.328 4.998 . 0 0 "[ . 1 . ]" 1
144 1 48 LEU H 1 48 LEU HA . . 3.021 2.828 2.743 2.893 . 0 0 "[ . 1 . ]" 1
145 1 48 LEU H 1 48 LEU HB2 3.802 . 3.802 2.456 2.295 3.420 . 0 0 "[ . 1 . ]" 1
146 1 48 LEU H 1 48 LEU HG . . 2.934 2.487 2.246 3.335 0.401 9 0 "[ . 1 . ]" 1
147 1 48 LEU H 1 48 LEU MD1 4.011 . 5.011 3.376 3.114 4.080 . 0 0 "[ . 1 . ]" 1
148 1 48 LEU H 1 48 LEU MD2 . . 4.902 3.491 1.824 3.825 . 0 0 "[ . 1 . ]" 1
149 1 48 LEU H 1 49 LEU H 3.745 . 3.745 2.832 2.419 2.936 . 0 0 "[ . 1 . ]" 1
150 1 48 LEU HA 1 49 LEU H 4.741 . 4.741 3.589 3.454 3.617 . 0 0 "[ . 1 . ]" 1
151 1 49 LEU H 1 49 LEU HB3 . . 2.863 2.518 2.427 2.717 . 0 0 "[ . 1 . ]" 1
152 1 49 LEU H 1 49 LEU HB2 . . 3.520 2.430 2.384 2.537 . 0 0 "[ . 1 . ]" 1
153 1 49 LEU H 1 49 LEU HG 3.659 . 3.659 4.470 4.426 4.521 0.862 13 19 [*******-****+******] 1
154 1 49 LEU H 1 49 LEU MD2 4.416 . 5.416 4.165 4.073 4.376 . 0 0 "[ . 1 . ]" 1
155 1 49 LEU H 1 50 ARG H . . 3.596 2.921 2.750 3.083 . 0 0 "[ . 1 . ]" 1
156 1 50 ARG H 1 50 ARG HD3 5.320 . 5.320 4.541 3.036 5.081 . 0 0 "[ . 1 . ]" 1
157 1 50 ARG H 1 51 LEU H 3.282 . 3.282 2.986 2.772 3.170 . 0 0 "[ . 1 . ]" 1
158 1 51 LEU H 1 51 LEU HB3 . . 3.804 3.454 3.228 3.653 . 0 0 "[ . 1 . ]" 1
159 1 51 LEU H 1 51 LEU QD 3.789 . 4.738 2.686 1.953 3.274 . 0 0 "[ . 1 . ]" 1
160 1 51 LEU HA 1 52 ILE H 3.914 . 3.914 3.600 3.488 3.636 . 0 0 "[ . 1 . ]" 1
161 1 51 LEU QD 1 52 ILE H 4.870 . 5.870 4.085 3.908 4.292 . 0 0 "[ . 1 . ]" 1
162 1 52 ILE H 1 52 ILE HA . . 2.993 2.854 2.824 2.925 . 0 0 "[ . 1 . ]" 1
163 1 52 ILE H 1 52 ILE HB . . 2.679 2.399 2.362 2.577 . 0 0 "[ . 1 . ]" 1
164 1 52 ILE H 1 52 ILE HG12 . . 3.334 3.658 3.351 3.797 0.463 13 0 "[ . 1 . ]" 1
165 1 52 ILE H 1 52 ILE MD 4.847 . 4.899 3.328 3.224 3.616 . 0 0 "[ . 1 . ]" 1
166 1 52 ILE HG13 1 53 LYS H 5.847 . 5.847 4.447 3.933 4.540 . 0 0 "[ . 1 . ]" 1
167 1 52 ILE MG 1 53 LYS H 4.084 . 5.084 3.199 3.055 3.555 . 0 0 "[ . 1 . ]" 1
168 1 53 LYS HA 1 54 LYS H 5.464 . 5.464 3.578 3.504 3.619 . 0 0 "[ . 1 . ]" 1
169 1 53 LYS HB2 1 54 LYS H 3.728 . 4.228 3.492 2.754 3.947 . 0 0 "[ . 1 . ]" 1
170 1 54 LYS H 1 54 LYS HB3 3.248 . 3.248 3.399 2.483 3.631 0.383 6 0 "[ . 1 . ]" 1
171 1 54 LYS H 1 55 GLY H 3.490 . 3.490 2.894 2.685 3.310 . 0 0 "[ . 1 . ]" 1
172 1 54 LYS HA 1 55 GLY H 4.430 . 4.430 3.269 2.974 3.481 . 0 0 "[ . 1 . ]" 1
173 1 54 LYS HB3 1 55 GLY H 4.789 . 4.789 4.272 3.347 4.518 . 0 0 "[ . 1 . ]" 1
174 1 53 LYS HB2 1 55 GLY H 5.632 . 5.632 5.305 4.916 5.809 0.177 8 0 "[ . 1 . ]" 1
175 1 55 GLY H 1 56 ALA H 3.617 . 3.617 2.682 2.423 3.022 . 0 0 "[ . 1 . ]" 1
176 1 55 GLY HA2 1 56 ALA H 5.153 . 5.153 3.091 2.922 3.510 . 0 0 "[ . 1 . ]" 1
177 1 56 ALA H 1 56 ALA MB 3.271 . 3.903 2.274 2.157 2.451 . 0 0 "[ . 1 . ]" 1
178 1 56 ALA H 1 57 LEU H 3.343 . 3.343 2.402 2.192 2.643 . 0 0 "[ . 1 . ]" 1
179 1 56 ALA HA 1 57 LEU H 5.334 . 5.334 3.566 3.501 3.626 . 0 0 "[ . 1 . ]" 1
180 1 57 LEU H 1 57 LEU HB3 . . 3.974 3.602 2.710 3.881 . 0 0 "[ . 1 . ]" 1
181 1 51 LEU HB2 1 57 LEU H 4.773 . 4.773 4.689 3.994 5.349 0.576 9 1 "[ . +1 . ]" 1
182 1 57 LEU H 1 58 ASN H 5.102 . 5.102 4.422 4.332 4.635 . 0 0 "[ . 1 . ]" 1
183 1 57 LEU HA 1 58 ASN H . . 2.793 2.249 2.153 2.469 . 0 0 "[ . 1 . ]" 1
184 1 57 LEU HB3 1 58 ASN H 4.278 . 4.278 2.963 2.497 3.498 . 0 0 "[ . 1 . ]" 1
185 1 57 LEU HB2 1 58 ASN H 4.475 . 4.475 4.029 3.513 4.474 . 0 0 "[ . 1 . ]" 1
186 1 57 LEU QD 1 58 ASN H 5.118 . 6.118 3.752 3.175 4.106 . 0 0 "[ . 1 . ]" 1
187 1 58 ASN H 1 58 ASN HB3 . . 3.079 2.552 2.315 3.691 0.612 5 1 "[ + 1 . ]" 1
188 1 58 ASN HA 1 59 HIS H . . 3.470 2.405 2.242 2.558 . 0 0 "[ . 1 . ]" 1
189 1 59 HIS H 1 59 HIS HB3 . . 4.379 3.061 2.361 3.414 . 0 0 "[ . 1 . ]" 1
190 1 60 HIS H 1 67 VAL H 4.282 . 4.282 2.944 2.772 3.155 . 0 0 "[ . 1 . ]" 1
191 1 60 HIS H 1 67 VAL MG2 5.174 . 6.174 4.652 2.865 5.185 . 0 0 "[ . 1 . ]" 1
192 1 59 HIS HA 1 60 HIS H 3.375 . 3.375 2.237 2.128 2.322 . 0 0 "[ . 1 . ]" 1
193 1 59 HIS HB3 1 60 HIS H 4.530 . 4.530 3.826 3.670 4.207 . 0 0 "[ . 1 . ]" 1
194 1 59 HIS HB2 1 60 HIS H . . 3.656 2.770 2.378 4.084 0.428 9 0 "[ . 1 . ]" 1
195 1 60 HIS HA 1 61 LYS H . . 3.323 2.287 2.202 2.347 . 0 0 "[ . 1 . ]" 1
196 1 60 HIS HB2 1 61 LYS H 4.735 . 4.735 3.888 2.830 4.321 . 0 0 "[ . 1 . ]" 1
197 1 61 LYS H 1 61 LYS HB3 . . 3.797 3.285 2.368 3.731 . 0 0 "[ . 1 . ]" 1
198 1 61 LYS HA 1 62 GLU H . . 2.530 2.241 2.124 2.324 . 0 0 "[ . 1 . ]" 1
199 1 62 GLU H 1 62 GLU HB3 . . 4.122 2.781 2.400 3.757 . 0 0 "[ . 1 . ]" 1
200 1 64 ARG H 1 65 VAL H 5.789 . 5.789 2.247 1.972 2.831 . 0 0 "[ . 1 . ]" 1
201 1 64 ARG HA 1 65 VAL H 4.493 . 4.493 3.593 3.533 3.655 . 0 0 "[ . 1 . ]" 1
202 1 65 VAL HA 1 66 PHE H . . 2.716 2.417 2.221 2.598 . 0 0 "[ . 1 . ]" 1
203 1 65 VAL MG2 1 66 PHE H 3.760 . 4.760 3.585 2.009 4.136 . 0 0 "[ . 1 . ]" 1
204 1 66 PHE H 1 66 PHE HB3 3.783 . 3.883 3.259 3.045 3.410 . 0 0 "[ . 1 . ]" 1
205 1 66 PHE H 1 66 PHE QD 3.426 . 6.426 2.335 2.052 2.563 . 0 0 "[ . 1 . ]" 1
206 1 66 PHE HB3 1 67 VAL H 4.870 . 4.870 3.821 3.320 4.140 . 0 0 "[ . 1 . ]" 1
207 1 66 PHE HB2 1 67 VAL H 3.619 . 4.619 2.910 2.657 3.255 . 0 0 "[ . 1 . ]" 1
208 1 67 VAL H 1 67 VAL HB . . 3.383 2.506 2.289 3.626 0.243 15 0 "[ . 1 . ]" 1
209 1 67 VAL HA 1 68 TYR H 3.267 . 3.267 2.186 2.119 2.248 . 0 0 "[ . 1 . ]" 1
210 1 67 VAL HB 1 68 TYR H 4.673 . 4.673 4.106 2.919 4.375 . 0 0 "[ . 1 . ]" 1
211 1 67 VAL MG1 1 68 TYR H . . 4.405 2.794 2.465 4.171 . 0 0 "[ . 1 . ]" 1
212 1 67 VAL MG2 1 68 TYR H 3.734 . 5.234 3.831 3.531 4.157 . 0 0 "[ . 1 . ]" 1
213 1 68 TYR H 1 68 TYR QD 5.011 . 6.011 2.751 2.357 3.210 . 0 0 "[ . 1 . ]" 1
214 1 68 TYR H 1 69 THR H 5.358 . 5.358 4.414 4.358 4.504 . 0 0 "[ . 1 . ]" 1
215 1 68 TYR HA 1 69 THR H 3.328 . 3.328 2.146 2.095 2.203 . 0 0 "[ . 1 . ]" 1
216 1 68 TYR HB3 1 69 THR H 4.236 . 5.236 3.426 3.046 3.538 . 0 0 "[ . 1 . ]" 1
217 1 68 TYR HB2 1 69 THR H 4.224 . 5.224 4.225 4.077 4.305 . 0 0 "[ . 1 . ]" 1
218 1 70 PRO HA 1 71 ASN H . . 2.797 2.260 2.194 2.398 . 0 0 "[ . 1 . ]" 1
219 1 70 PRO HB3 1 71 ASN H 6.275 . 6.275 3.776 3.434 4.263 . 0 0 "[ . 1 . ]" 1
220 1 71 ASN H 1 71 ASN HB3 4.253 . 4.253 2.807 2.347 3.629 . 0 0 "[ . 1 . ]" 1
221 1 71 ASN H 1 72 ILE H 3.576 . 3.576 2.341 2.094 3.752 0.176 17 0 "[ . 1 . ]" 1
222 1 71 ASN HA 1 72 ILE H . . 3.879 3.365 1.940 3.549 . 0 0 "[ . 1 . ]" 1
223 1 71 ASN HB2 1 72 ILE H . . 3.524 3.642 2.538 4.368 0.844 3 5 "[ + - 1 ** *]" 1
224 1 72 ILE H 1 72 ILE HG12 4.013 . 4.013 3.202 2.160 4.120 0.107 17 0 "[ . 1 . ]" 1
225 1 72 ILE H 1 72 ILE HG13 3.921 . 3.921 3.067 2.022 3.972 0.051 5 0 "[ . 1 . ]" 1
226 1 72 ILE H 1 72 ILE MD 5.229 . 6.229 2.446 1.745 3.774 . 0 0 "[ . 1 . ]" 1
227 1 73 ASP H 1 73 ASP HB3 . . 3.156 2.662 2.330 3.289 0.133 3 0 "[ . 1 . ]" 1
228 1 73 ASP H 1 73 ASP HB2 . . 3.272 3.206 2.886 3.521 0.249 3 0 "[ . 1 . ]" 1
229 1 72 ILE MG 1 73 ASP H 4.584 . 5.584 3.632 2.116 4.152 . 0 0 "[ . 1 . ]" 1
230 1 72 ILE MD 1 73 ASP H 6.834 . 7.834 4.343 3.963 5.213 . 0 0 "[ . 1 . ]" 1
231 1 73 ASP HA 1 74 GLU H 3.557 . 3.557 2.576 2.314 3.570 0.013 13 0 "[ . 1 . ]" 1
232 1 73 ASP HB2 1 74 GLU H . . 3.879 3.584 2.173 3.903 0.024 14 0 "[ . 1 . ]" 1
233 1 73 ASP HB3 1 74 GLU H . . 3.837 3.493 2.141 3.885 0.048 5 0 "[ . 1 . ]" 1
234 1 74 GLU H 1 74 GLU HG3 3.654 . 4.154 2.660 1.980 4.242 0.088 6 0 "[ . 1 . ]" 1
235 1 74 GLU H 1 74 GLU HG2 3.622 . 3.622 3.140 2.220 3.741 0.119 1 0 "[ . 1 . ]" 1
236 1 75 SER H 1 76 ASP H 4.082 . 4.082 3.050 2.192 3.698 . 0 0 "[ . 1 . ]" 1
237 1 74 GLU HA 1 75 SER H 6.508 . 6.508 3.581 3.548 3.609 . 0 0 "[ . 1 . ]" 1
238 1 74 GLU HG3 1 75 SER H 4.761 . 4.761 4.263 2.263 4.810 0.049 1 0 "[ . 1 . ]" 1
239 1 74 GLU HG2 1 75 SER H 4.795 . 4.795 4.536 2.324 4.827 0.032 14 0 "[ . 1 . ]" 1
240 1 75 SER H 1 75 SER HB3 3.955 . 3.955 3.442 2.657 3.693 . 0 0 "[ . 1 . ]" 1
241 1 75 SER H 1 75 SER HB2 . . 3.394 2.763 2.453 3.609 0.215 10 0 "[ . 1 . ]" 1
242 1 75 SER HA 1 76 ASP H 5.786 . 5.786 3.283 2.514 3.553 . 0 0 "[ . 1 . ]" 1
243 1 76 ASP H 1 76 ASP HB3 3.593 . 3.593 2.868 2.343 4.029 0.436 3 0 "[ . 1 . ]" 1
244 1 76 ASP H 1 76 ASP HB2 4.322 . 4.322 2.858 2.317 3.664 . 0 0 "[ . 1 . ]" 1
245 1 77 TYR H 1 77 TYR QD 4.513 . 7.513 4.022 2.323 4.399 . 0 0 "[ . 1 . ]" 1
246 1 77 TYR H 1 77 TYR QB 3.323 . 3.323 2.392 2.122 2.965 . 0 0 "[ . 1 . ]" 1
247 1 77 TYR H 1 77 TYR QE 5.150 . 8.150 6.066 4.681 6.408 . 0 0 "[ . 1 . ]" 1
248 1 77 TYR HA 1 78 ILE H . . 3.944 2.872 2.121 3.596 . 0 0 "[ . 1 . ]" 1
249 1 77 TYR QB 1 78 ILE H 5.560 . 5.560 3.551 2.252 4.090 . 0 0 "[ . 1 . ]" 1
250 1 78 ILE H 1 78 ILE HB . . 3.176 2.584 2.389 2.719 . 0 0 "[ . 1 . ]" 1
251 1 78 ILE H 1 78 ILE HG13 4.938 . 4.938 2.959 2.238 4.316 . 0 0 "[ . 1 . ]" 1
252 1 78 ILE H 1 78 ILE HG12 . . 3.478 3.392 2.139 4.235 0.757 4 3 "[- +. 1* . ]" 1
253 1 78 ILE H 1 79 GLU H 5.420 . 5.420 4.136 3.759 4.635 . 0 0 "[ . 1 . ]" 1
254 1 78 ILE HB 1 79 GLU H 4.740 . 4.740 4.442 4.069 4.580 . 0 0 "[ . 1 . ]" 1
255 1 79 GLU H 1 80 VAL H 4.445 . 4.445 4.291 4.162 4.631 0.186 18 0 "[ . 1 . ]" 1
256 1 79 GLU HA 1 80 VAL H . . 2.911 2.229 2.168 2.331 . 0 0 "[ . 1 . ]" 1
257 1 80 VAL H 1 80 VAL HB . . 3.585 3.101 2.359 3.713 0.128 15 0 "[ . 1 . ]" 1
258 1 80 VAL H 1 80 VAL MG1 4.163 . 5.163 2.587 1.992 3.908 . 0 0 "[ . 1 . ]" 1
259 1 80 VAL H 1 81 LYS H 6.950 . 6.950 4.519 4.095 4.683 . 0 0 "[ . 1 . ]" 1
260 1 80 VAL HB 1 81 LYS H 7.568 . 7.568 3.635 2.736 4.421 . 0 0 "[ . 1 . ]" 1
261 1 80 VAL MG1 1 81 LYS H 5.556 . 6.556 3.666 2.288 4.390 . 0 0 "[ . 1 . ]" 1
262 1 62 GLU H 1 65 VAL H 4.975 . 4.975 4.129 3.681 4.786 . 0 0 "[ . 1 . ]" 1
263 1 25 ASN HA 1 68 TYR H 4.661 . 4.661 3.518 3.277 3.793 . 0 0 "[ . 1 . ]" 1
264 1 24 ILE H 1 68 TYR H 4.025 . 4.025 2.788 2.579 2.906 . 0 0 "[ . 1 . ]" 1
265 1 6 GLN HB3 1 7 ILE H 4.824 . 4.824 4.241 2.830 4.569 . 0 0 "[ . 1 . ]" 1
266 1 37 SER HB3 1 39 TRP H 5.771 . 5.771 4.376 3.864 5.620 . 0 0 "[ . 1 . ]" 1
267 1 25 ASN H 1 28 GLU H 5.432 . 5.432 3.974 3.713 4.294 . 0 0 "[ . 1 . ]" 1
268 1 24 ILE HG12 1 29 VAL H 5.120 . 5.120 2.594 2.497 2.770 . 0 0 "[ . 1 . ]" 1
269 1 65 VAL HB 1 66 PHE H 3.460 . 3.460 2.664 2.320 3.688 0.228 14 0 "[ . 1 . ]" 1
270 1 50 ARG H 1 51 LEU QD 5.912 . 6.912 4.603 3.925 5.301 . 0 0 "[ . 1 . ]" 1
271 1 54 LYS HB3 1 56 ALA H 4.878 . 4.878 4.145 2.656 4.886 0.008 12 0 "[ . 1 . ]" 1
272 1 9 ASP H 1 10 ALA H 6.834 . 6.834 3.073 2.806 3.353 . 0 0 "[ . 1 . ]" 1
273 1 48 LEU HA 1 51 LEU H 5.728 . 5.728 3.648 3.420 3.898 . 0 0 "[ . 1 . ]" 1
274 1 57 LEU QD 1 71 ASN H 4.430 . 5.222 2.803 2.330 3.061 . 0 0 "[ . 1 . ]" 1
275 1 57 LEU HA 1 71 ASN H . . 3.724 2.314 2.020 2.795 . 0 0 "[ . 1 . ]" 1
276 1 58 ASN H 1 71 ASN H 5.526 . 5.526 3.634 2.728 4.709 . 0 0 "[ . 1 . ]" 1
277 1 58 ASN H 1 69 THR H 4.278 . 4.278 3.282 2.938 3.577 . 0 0 "[ . 1 . ]" 1
278 1 48 LEU H 1 52 ILE MD 5.943 . 6.943 5.379 5.085 5.730 . 0 0 "[ . 1 . ]" 1
279 1 44 ILE HA 1 48 LEU H 5.634 . 5.634 4.038 3.858 4.815 . 0 0 "[ . 1 . ]" 1
280 1 27 ASN HA 1 30 ILE H 4.715 . 4.715 3.713 3.474 3.846 . 0 0 "[ . 1 . ]" 1
281 1 29 VAL HA 1 32 GLU H 5.092 . 5.092 3.665 3.583 3.808 . 0 0 "[ . 1 . ]" 1
282 1 61 LYS HA 1 67 VAL H 4.502 . 4.502 3.618 3.390 3.769 . 0 0 "[ . 1 . ]" 1
283 1 67 VAL H 1 68 TYR H 6.532 . 6.532 4.470 4.386 4.543 . 0 0 "[ . 1 . ]" 1
284 1 14 VAL HA 1 17 VAL H 5.475 . 5.475 3.349 3.169 3.600 . 0 0 "[ . 1 . ]" 1
285 1 14 VAL H 1 15 MET HA 5.741 . 5.741 5.274 4.956 5.487 . 0 0 "[ . 1 . ]" 1
286 1 60 HIS H 1 68 TYR HA 6.123 . 6.123 3.828 3.603 3.990 . 0 0 "[ . 1 . ]" 1
287 1 16 LYS H 1 19 TRP H 7.788 . 7.788 4.702 4.516 4.863 . 0 0 "[ . 1 . ]" 1
288 1 16 LYS H 1 16 LYS QE 5.924 . 6.924 4.978 3.447 6.106 . 0 0 "[ . 1 . ]" 1
289 1 21 HIS HA 1 23 SER H 6.337 . 6.337 4.719 4.556 4.894 . 0 0 "[ . 1 . ]" 1
290 1 57 LEU QD 1 69 THR H 5.486 . 6.486 4.423 3.970 4.880 . 0 0 "[ . 1 . ]" 1
291 1 59 HIS HA 1 69 THR H 7.070 . 7.070 2.905 2.455 3.614 . 0 0 "[ . 1 . ]" 1
292 1 55 GLY H 1 57 LEU H 5.774 . 5.774 4.349 3.934 5.039 . 0 0 "[ . 1 . ]" 1
293 1 8 SER H 1 11 GLU H . . 5.231 3.762 3.356 4.192 . 0 0 "[ . 1 . ]" 1
294 1 28 GLU H 1 29 VAL MG2 5.699 . 6.699 5.759 5.581 5.958 . 0 0 "[ . 1 . ]" 1
295 1 33 LEU H 1 36 THR H 5.479 . 5.479 4.819 4.745 4.990 . 0 0 "[ . 1 . ]" 1
296 1 34 SER HA 1 36 THR H 4.655 . 4.655 4.590 4.096 4.685 0.030 18 0 "[ . 1 . ]" 1
297 1 44 ILE HA 1 47 MET H . . 4.220 3.423 3.257 3.611 . 0 0 "[ . 1 . ]" 1
298 1 62 GLU H 1 65 VAL MG2 6.389 . 7.389 4.114 3.699 5.402 . 0 0 "[ . 1 . ]" 1
299 1 66 PHE H 1 67 VAL H 5.748 . 5.748 4.443 4.216 4.619 . 0 0 "[ . 1 . ]" 1
300 1 75 SER HA 1 78 ILE H 5.975 . 5.975 5.508 3.781 6.096 0.121 4 0 "[ . 1 . ]" 1
301 1 7 ILE H 1 7 ILE HB . . 3.301 2.309 2.027 2.777 . 0 0 "[ . 1 . ]" 1
302 1 8 SER H 1 11 GLU HB2 4.545 . 4.545 2.277 1.946 2.654 . 0 0 "[ . 1 . ]" 1
303 1 7 ILE MG 1 12 LEU H 4.530 . 5.530 2.619 2.341 3.631 . 0 0 "[ . 1 . ]" 1
304 1 10 ALA HA 1 12 LEU H 5.173 . 5.173 4.491 4.245 4.743 . 0 0 "[ . 1 . ]" 1
305 1 10 ALA H 1 12 LEU H 5.640 . 5.640 4.223 4.036 4.398 . 0 0 "[ . 1 . ]" 1
306 1 14 VAL QG 1 17 VAL H 5.256 . 6.256 4.502 4.198 4.615 . 0 0 "[ . 1 . ]" 1
307 1 15 MET HA 1 17 VAL H 5.741 . 5.741 4.598 4.332 4.769 . 0 0 "[ . 1 . ]" 1
308 1 16 LYS HA 1 19 TRP H 5.921 . 5.921 3.507 3.146 3.887 . 0 0 "[ . 1 . ]" 1
309 1 20 LYS H 1 20 LYS HD3 5.699 . 5.699 4.420 3.178 4.843 . 0 0 "[ . 1 . ]" 1
310 1 20 LYS HB3 1 21 HIS H 4.335 . 4.335 3.291 2.435 4.207 . 0 0 "[ . 1 . ]" 1
311 1 20 LYS QG 1 21 HIS H 4.349 . 4.349 3.945 3.303 4.193 . 0 0 "[ . 1 . ]" 1
312 1 23 SER H 1 70 PRO QG 6.944 . 6.944 6.354 5.394 6.646 . 0 0 "[ . 1 . ]" 1
313 1 24 ILE H 1 67 VAL MG1 4.029 . 4.634 2.797 2.296 4.643 0.009 15 0 "[ . 1 . ]" 1
314 1 25 ASN H 1 28 GLU HB3 5.242 . 5.242 3.845 3.587 4.561 . 0 0 "[ . 1 . ]" 1
315 1 26 THR H 1 65 VAL MG2 5.403 . 6.403 3.629 2.180 4.950 . 0 0 "[ . 1 . ]" 1
316 1 27 ASN HB2 1 28 GLU H . . 4.247 3.784 2.504 4.037 . 0 0 "[ . 1 . ]" 1
317 1 24 ILE MD 1 29 VAL H . . 4.808 3.417 3.240 3.565 . 0 0 "[ . 1 . ]" 1
318 1 29 VAL H 1 32 GLU H 4.969 . 4.969 4.780 4.739 4.836 . 0 0 "[ . 1 . ]" 1
319 1 25 ASN H 1 29 VAL H 6.950 . 6.950 4.073 3.792 4.526 . 0 0 "[ . 1 . ]" 1
320 1 30 ILE H 1 44 ILE MG 5.197 . 6.197 3.893 3.515 4.143 . 0 0 "[ . 1 . ]" 1
321 1 17 VAL MG2 1 33 LEU H 5.688 . 6.688 4.718 3.647 5.438 . 0 0 "[ . 1 . ]" 1
322 1 39 TRP H 1 43 THR MG 5.402 . 6.402 5.185 4.978 5.250 . 0 0 "[ . 1 . ]" 1
323 1 40 SER H 1 43 THR MG 5.369 . 6.369 3.436 3.114 4.193 . 0 0 "[ . 1 . ]" 1
324 1 39 TRP HB3 1 43 THR H 6.175 . 6.175 4.702 4.335 4.860 . 0 0 "[ . 1 . ]" 1
325 1 44 ILE H 1 44 ILE MG 4.106 . 4.674 3.744 3.678 3.810 . 0 0 "[ . 1 . ]" 1
326 1 48 LEU HA 1 50 ARG H 6.217 . 6.217 4.589 4.252 4.736 . 0 0 "[ . 1 . ]" 1
327 1 51 LEU H 1 52 ILE H 3.808 . 3.808 2.897 2.495 3.077 . 0 0 "[ . 1 . ]" 1
328 1 48 LEU HA 1 52 ILE H 6.817 . 6.817 4.046 3.840 5.144 . 0 0 "[ . 1 . ]" 1
329 1 52 ILE H 1 57 LEU H 6.239 . 6.239 4.408 4.009 4.720 . 0 0 "[ . 1 . ]" 1
330 1 51 LEU H 1 54 LYS H 5.798 . 5.798 4.706 4.591 4.857 . 0 0 "[ . 1 . ]" 1
331 1 52 ILE HG12 1 56 ALA H 5.003 . 6.003 5.964 5.639 6.476 0.473 8 0 "[ . 1 . ]" 1
332 1 57 LEU H 1 71 ASN HB3 5.018 . 5.018 4.690 3.971 5.164 0.146 7 0 "[ . 1 . ]" 1
333 1 34 SER H 1 34 SER HB3 3.648 . 3.648 3.455 2.560 3.636 . 0 0 "[ . 1 . ]" 1
334 1 58 ASN H 1 68 TYR HA 5.412 . 5.412 4.599 4.117 5.093 . 0 0 "[ . 1 . ]" 1
335 1 26 THR H 1 66 PHE H 6.130 . 6.130 3.248 2.450 4.338 . 0 0 "[ . 1 . ]" 1
336 1 73 ASP H 1 74 GLU H 6.389 . 6.389 4.074 2.104 4.562 . 0 0 "[ . 1 . ]" 1
337 1 73 ASP H 1 76 ASP H 5.903 . 5.903 4.080 3.143 5.615 . 0 0 "[ . 1 . ]" 1
338 1 73 ASP HA 1 75 SER H 5.558 . 5.558 4.682 4.370 5.142 . 0 0 "[ . 1 . ]" 1
339 1 80 VAL HA 1 81 LYS H . . 3.674 2.254 2.119 2.382 . 0 0 "[ . 1 . ]" 1
340 1 62 GLU H 1 67 VAL MG2 4.242 . 5.242 3.578 3.216 4.050 . 0 0 "[ . 1 . ]" 1
341 1 5 PRO HA 1 5 PRO HB3 2.658 . 2.658 2.310 2.222 2.466 . 0 0 "[ . 1 . ]" 1
342 1 5 PRO HA 1 5 PRO HG3 3.899 . 3.899 3.499 2.681 4.135 0.236 13 0 "[ . 1 . ]" 1
343 1 6 GLN HA 1 6 GLN HB3 2.727 . 2.727 2.504 2.231 3.045 0.318 18 0 "[ . 1 . ]" 1
344 1 7 ILE HA 1 7 ILE HG13 4.100 . 4.100 3.478 2.526 3.868 . 0 0 "[ . 1 . ]" 1
345 1 7 ILE HA 1 7 ILE MG 3.123 . 4.123 2.578 2.247 2.916 . 0 0 "[ . 1 . ]" 1
346 1 7 ILE HB 1 7 ILE HG13 . . 2.985 2.396 2.272 2.494 . 0 0 "[ . 1 . ]" 1
347 1 8 SER HA 1 8 SER HB3 2.587 . 2.587 2.567 2.384 3.063 0.476 10 0 "[ . 1 . ]" 1
348 1 8 SER HA 1 8 SER HB2 2.793 . 2.793 2.669 2.452 3.061 0.268 15 0 "[ . 1 . ]" 1
349 1 10 ALA HA 1 10 ALA MB 2.456 . 3.456 2.148 2.136 2.158 . 0 0 "[ . 1 . ]" 1
350 1 11 GLU HA 1 11 GLU HG3 3.033 . 3.033 2.953 2.842 3.062 0.029 17 0 "[ . 1 . ]" 1
351 1 11 GLU HA 1 11 GLU HG2 3.272 . 3.272 2.524 2.356 2.662 . 0 0 "[ . 1 . ]" 1
352 1 12 LEU HA 1 12 LEU HB3 3.119 . 3.119 3.045 3.014 3.075 . 0 0 "[ . 1 . ]" 1
353 1 12 LEU HA 1 12 LEU HB2 2.869 . 2.869 2.513 2.417 2.727 . 0 0 "[ . 1 . ]" 1
354 1 13 GLU HA 1 13 GLU HB2 2.953 . 2.953 2.931 2.210 3.069 0.116 8 0 "[ . 1 . ]" 1
355 1 13 GLU HA 1 13 GLU HB3 3.105 . 3.105 2.524 2.424 2.803 . 0 0 "[ . 1 . ]" 1
356 1 14 VAL HA 1 14 VAL QG 2.451 . 3.451 2.330 2.114 2.537 . 0 0 "[ . 1 . ]" 1
357 1 15 MET HA 1 15 MET HG2 3.292 . 3.292 2.580 2.220 2.983 . 0 0 "[ . 1 . ]" 1
358 1 16 LYS HA 1 16 LYS HB2 2.568 . 2.568 2.567 2.391 3.027 0.459 18 0 "[ . 1 . ]" 1
359 1 17 VAL HA 1 17 VAL MG2 2.538 . 3.538 2.263 2.171 2.327 . 0 0 "[ . 1 . ]" 1
360 1 17 VAL HA 1 17 VAL MG1 2.618 . 3.618 2.585 2.432 2.873 . 0 0 "[ . 1 . ]" 1
361 1 18 ILE HA 1 18 ILE MG 3.224 . 4.101 2.445 2.295 2.527 . 0 0 "[ . 1 . ]" 1
362 1 18 ILE HA 1 18 ILE MD 4.011 . 4.641 3.722 3.239 3.911 . 0 0 "[ . 1 . ]" 1
363 1 19 TRP HA 1 19 TRP QB 2.744 . 2.744 2.478 2.404 2.556 . 0 0 "[ . 1 . ]" 1
364 1 24 ILE HA 1 24 ILE HB . . 3.093 2.458 2.325 2.512 . 0 0 "[ . 1 . ]" 1
365 1 26 THR HA 1 26 THR MG 2.970 . 3.970 2.241 2.150 2.335 . 0 0 "[ . 1 . ]" 1
366 1 27 ASN HA 1 27 ASN HB3 3.033 . 3.033 2.986 2.452 3.065 0.032 10 0 "[ . 1 . ]" 1
367 1 27 ASN HA 1 27 ASN HB2 3.105 . 3.105 2.486 2.380 3.060 . 0 0 "[ . 1 . ]" 1
368 1 28 GLU HA 1 28 GLU HB2 2.984 . 2.984 3.035 3.015 3.046 0.062 17 0 "[ . 1 . ]" 1
369 1 28 GLU HA 1 28 GLU HB3 2.244 . 2.244 2.556 2.511 2.630 0.386 1 0 "[ . 1 . ]" 1
370 1 29 VAL HA 1 29 VAL MG1 2.707 . 3.707 3.189 3.080 3.224 . 0 0 "[ . 1 . ]" 1
371 1 29 VAL HA 1 29 VAL MG2 2.535 . 3.535 2.127 2.075 2.192 . 0 0 "[ . 1 . ]" 1
372 1 32 GLU HA 1 32 GLU QG . . 3.703 2.725 2.394 2.967 . 0 0 "[ . 1 . ]" 1
373 1 33 LEU QB 1 33 LEU HG . . 2.532 2.179 2.083 2.320 . 0 0 "[ . 1 . ]" 1
374 1 34 SER HA 1 34 SER HB3 2.575 . 2.575 2.444 2.381 2.487 . 0 0 "[ . 1 . ]" 1
375 1 35 LYS HA 1 35 LYS QB 2.488 . 3.488 2.432 2.366 2.548 . 0 0 "[ . 1 . ]" 1
376 1 37 SER HA 1 37 SER HB3 3.018 . 3.018 2.486 2.370 2.545 . 0 0 "[ . 1 . ]" 1
377 1 37 SER HA 1 37 SER HB2 3.060 . 3.060 3.011 2.540 3.049 . 0 0 "[ . 1 . ]" 1
378 1 38 THR HA 1 38 THR MG 2.909 . 3.521 2.329 2.271 2.366 . 0 0 "[ . 1 . ]" 1
379 1 39 TRP HA 1 39 TRP HB3 2.964 . 2.964 2.475 2.357 2.535 . 0 0 "[ . 1 . ]" 1
380 1 41 PRO HA 1 41 PRO HB3 2.768 . 2.768 2.387 2.356 2.425 . 0 0 "[ . 1 . ]" 1
381 1 44 ILE HA 1 44 ILE MG 2.719 . 3.719 2.396 2.254 2.569 . 0 0 "[ . 1 . ]" 1
382 1 45 GLN HA 1 45 GLN HG3 3.576 . 3.576 2.934 2.644 3.655 0.079 1 0 "[ . 1 . ]" 1
383 1 46 THR HA 1 46 THR MG 2.751 . 3.751 2.345 2.321 2.365 . 0 0 "[ . 1 . ]" 1
384 1 47 MET HA 1 47 MET HB2 3.021 . 3.021 3.039 3.012 3.052 0.031 8 0 "[ . 1 . ]" 1
385 1 47 MET HA 1 47 MET HG3 3.413 . 3.413 3.126 2.791 3.609 0.196 6 0 "[ . 1 . ]" 1
386 1 47 MET HA 1 47 MET HG2 2.506 . 2.506 2.617 2.351 3.294 0.788 4 4 "[ +.*- 1 * . ]" 1
387 1 48 LEU HA 1 48 LEU HB2 2.801 . 2.801 2.996 2.163 3.054 0.253 9 0 "[ . 1 . ]" 1
388 1 48 LEU HA 1 48 LEU HG 3.833 . 3.833 2.970 2.600 3.831 . 0 0 "[ . 1 . ]" 1
389 1 48 LEU HA 1 48 LEU MD2 2.654 . 3.654 2.405 2.172 4.076 0.422 11 0 "[ . 1 . ]" 1
390 1 49 LEU HA 1 49 LEU HB3 2.951 . 2.951 3.046 3.032 3.055 0.104 8 0 "[ . 1 . ]" 1
391 1 49 LEU HA 1 49 LEU HB2 2.869 . 2.869 2.417 2.372 2.447 . 0 0 "[ . 1 . ]" 1
392 1 49 LEU HA 1 49 LEU HG 3.075 . 3.075 3.057 2.380 3.751 0.676 4 9 "[ * +.* * - * ***]" 1
393 1 49 LEU HB3 1 49 LEU MD1 2.801 . 3.801 2.486 2.271 2.722 . 0 0 "[ . 1 . ]" 1
394 1 49 LEU HB2 1 49 LEU MD2 3.286 . 4.286 2.853 2.476 3.212 . 0 0 "[ . 1 . ]" 1
395 1 50 ARG HA 1 50 ARG HB3 2.254 . 2.254 2.522 2.375 2.693 0.439 1 0 "[ . 1 . ]" 1
396 1 50 ARG HA 1 50 ARG HG2 2.879 . 2.879 2.541 2.260 2.969 0.090 19 0 "[ . 1 . ]" 1
397 1 50 ARG HA 1 50 ARG HD3 . . 3.922 3.451 2.197 4.591 0.669 8 2 "[ . + 1 - . ]" 1
398 1 50 ARG HD3 1 50 ARG HG2 . . 2.819 2.571 2.342 3.064 0.245 9 0 "[ . 1 . ]" 1
399 1 52 ILE HA 1 52 ILE HB . . 3.122 3.034 3.027 3.046 . 0 0 "[ . 1 . ]" 1
400 1 52 ILE HA 1 52 ILE HG12 . . 3.260 2.586 2.486 2.666 . 0 0 "[ . 1 . ]" 1
401 1 57 LEU HA 1 57 LEU QD 4.115 . 4.156 2.369 2.177 2.547 . 0 0 "[ . 1 . ]" 1
402 1 58 ASN HA 1 58 ASN HB3 2.874 . 2.874 3.032 2.625 3.064 0.190 15 0 "[ . 1 . ]" 1
403 1 59 HIS HA 1 59 HIS HB3 3.008 . 3.008 2.544 2.335 3.015 0.007 9 0 "[ . 1 . ]" 1
404 1 59 HIS HA 1 59 HIS HB2 3.000 . 3.000 2.399 2.244 2.547 . 0 0 "[ . 1 . ]" 1
405 1 60 HIS HA 1 60 HIS HB2 2.568 . 2.568 2.488 2.310 3.051 0.483 19 0 "[ . 1 . ]" 1
406 1 61 LYS HA 1 61 LYS HB3 2.763 . 2.763 2.587 2.306 3.039 0.276 8 0 "[ . 1 . ]" 1
407 1 62 GLU HA 1 62 GLU HB3 2.874 . 2.874 2.930 2.439 3.043 0.169 10 0 "[ . 1 . ]" 1
408 1 62 GLU HA 1 62 GLU HB2 2.934 . 2.934 2.611 2.400 3.037 0.103 19 0 "[ . 1 . ]" 1
409 1 64 ARG HA 1 64 ARG HB3 2.768 . 2.768 2.685 2.393 3.041 0.273 16 0 "[ . 1 . ]" 1
410 1 64 ARG HA 1 64 ARG HB2 2.976 . 2.976 2.786 2.411 3.034 0.058 7 0 "[ . 1 . ]" 1
411 1 64 ARG HA 1 64 ARG HG3 3.337 . 3.337 3.010 2.192 3.840 0.503 19 1 "[ . 1 . +]" 1
412 1 64 ARG HA 1 64 ARG HD3 3.998 . 3.998 3.786 2.192 4.818 0.820 15 6 "[-* .* *1 +* ]" 1
413 1 64 ARG HB3 1 64 ARG HD3 . . 3.343 3.186 2.277 4.212 0.869 4 2 "[ +. 1 -. ]" 1
414 1 65 VAL HA 1 65 VAL HB 2.913 . 2.913 2.481 2.314 2.625 . 0 0 "[ . 1 . ]" 1
415 1 66 PHE HA 1 66 PHE HB2 . . 3.041 2.436 2.334 2.707 . 0 0 "[ . 1 . ]" 1
416 1 69 THR HA 1 69 THR HB 3.105 . 3.105 2.502 2.310 3.010 . 0 0 "[ . 1 . ]" 1
417 1 69 THR HA 1 69 THR MG 2.504 . 3.504 2.328 2.281 2.417 . 0 0 "[ . 1 . ]" 1
418 1 69 THR HA 1 70 PRO HD3 . . 2.626 2.249 2.084 2.607 . 0 0 "[ . 1 . ]" 1
419 1 69 THR HA 1 70 PRO HD2 . . 2.884 2.483 2.246 2.696 . 0 0 "[ . 1 . ]" 1
420 1 71 ASN HA 1 71 ASN HB3 2.815 . 2.815 2.925 2.497 3.051 0.236 2 0 "[ . 1 . ]" 1
421 1 71 ASN HA 1 71 ASN HB2 3.048 . 3.048 2.625 2.066 3.057 0.009 18 0 "[ . 1 . ]" 1
422 1 74 GLU HA 1 74 GLU HG3 3.635 . 4.135 3.159 2.494 3.859 . 0 0 "[ . 1 . ]" 1
423 1 74 GLU HA 1 74 GLU HG2 3.128 . 3.628 2.942 2.393 4.168 0.540 7 1 "[ . + 1 . ]" 1
424 1 75 SER HA 1 75 SER HB3 2.445 . 2.445 2.395 2.291 2.501 0.056 17 0 "[ . 1 . ]" 1
425 1 75 SER HA 1 75 SER HB2 2.647 . 2.647 2.982 2.491 3.053 0.406 6 0 "[ . 1 . ]" 1
426 1 78 ILE HA 1 78 ILE MG 2.809 . 3.809 2.386 2.297 2.504 . 0 0 "[ . 1 . ]" 1
427 1 80 VAL HA 1 80 VAL HB . . 2.688 2.524 2.358 2.939 0.251 9 0 "[ . 1 . ]" 1
428 1 80 VAL HA 1 80 VAL MG1 2.925 . 3.925 2.720 2.194 3.285 . 0 0 "[ . 1 . ]" 1
429 1 69 THR HB 1 70 PRO HD2 3.976 . 3.976 3.652 3.054 4.107 0.131 5 0 "[ . 1 . ]" 1
430 1 26 THR HA 1 29 VAL HB 3.574 . 3.574 2.882 2.455 3.507 . 0 0 "[ . 1 . ]" 1
431 1 24 ILE MD 1 29 VAL HA 3.762 . 4.762 2.395 2.204 2.662 . 0 0 "[ . 1 . ]" 1
432 1 52 ILE HA 1 57 LEU H 4.439 . 4.439 2.693 2.350 3.093 . 0 0 "[ . 1 . ]" 1
433 1 57 LEU HA 1 70 PRO HA 3.624 . 3.624 2.618 2.186 3.769 0.145 8 0 "[ . 1 . ]" 1
434 1 5 PRO HA 1 6 GLN H 3.607 . 3.607 2.243 2.111 2.436 . 0 0 "[ . 1 . ]" 1
435 1 34 SER HA 1 35 LYS H 3.669 . 3.669 3.598 3.581 3.625 . 0 0 "[ . 1 . ]" 1
436 1 38 THR HA 1 39 TRP H 3.916 . 3.916 2.470 2.350 2.587 . 0 0 "[ . 1 . ]" 1
437 1 16 LYS HA 1 19 TRP QB 3.313 . 3.313 2.486 2.104 3.034 . 0 0 "[ . 1 . ]" 1
438 1 25 ASN HA 1 67 VAL HA . . 2.811 2.093 2.013 2.155 . 0 0 "[ . 1 . ]" 1
439 1 24 ILE HA 1 24 ILE HG13 . . 3.481 2.322 2.256 2.495 . 0 0 "[ . 1 . ]" 1
440 1 47 MET H 1 47 MET HA 2.961 . 2.961 2.839 2.795 2.889 . 0 0 "[ . 1 . ]" 1
441 1 45 GLN HA 1 48 LEU MD1 2.935 . 3.935 2.560 2.101 4.817 0.882 9 2 "[ .- +1 . ]" 1
442 1 50 ARG H 1 50 ARG HA 2.839 . 2.839 2.818 2.776 2.845 0.006 8 0 "[ . 1 . ]" 1
443 1 53 LYS H 1 53 LYS HA 2.861 . 2.861 2.835 2.787 2.895 0.034 14 0 "[ . 1 . ]" 1
444 1 7 ILE HA 1 8 SER H 2.851 . 2.851 2.163 2.069 2.277 . 0 0 "[ . 1 . ]" 1
445 1 51 LEU HA 1 51 LEU HG 3.314 . 3.314 2.798 2.413 3.473 0.159 14 0 "[ . 1 . ]" 1
446 1 12 LEU HA 1 15 MET HG2 3.711 . 3.711 3.782 3.239 4.013 0.302 7 0 "[ . 1 . ]" 1
447 1 12 LEU HA 1 15 MET H 3.803 . 3.803 3.241 3.029 3.587 . 0 0 "[ . 1 . ]" 1
448 1 12 LEU HA 1 15 MET HG3 3.954 . 3.954 2.490 2.153 3.236 . 0 0 "[ . 1 . ]" 1
449 1 54 LYS HA 1 54 LYS HB3 2.966 . 3.466 2.591 2.435 3.036 . 0 0 "[ . 1 . ]" 1
450 1 27 ASN HA 1 30 ILE MD 2.894 . 3.894 3.995 3.236 4.317 0.423 4 0 "[ . 1 . ]" 1
451 1 27 ASN HA 1 30 ILE HB 3.122 . 3.122 3.120 2.975 3.164 0.042 10 0 "[ . 1 . ]" 1
452 1 6 GLN HA 1 7 ILE H 2.577 . 2.577 2.365 2.177 2.655 0.078 12 0 "[ . 1 . ]" 1
453 1 10 ALA HA 1 13 GLU H 3.596 . 3.596 3.546 3.315 3.655 0.059 19 0 "[ . 1 . ]" 1
454 1 59 HIS HA 1 68 TYR HA 3.275 . 3.275 2.513 2.244 2.968 . 0 0 "[ . 1 . ]" 1
455 1 56 ALA HA 1 72 ILE HG13 4.872 . 4.872 3.532 2.149 4.829 . 0 0 "[ . 1 . ]" 1
456 1 25 ASN HA 1 67 VAL MG2 3.361 . 4.361 2.729 2.028 4.464 0.103 17 0 "[ . 1 . ]" 1
457 1 51 LEU H 1 51 LEU HB2 . . 3.014 2.268 1.982 2.579 . 0 0 "[ . 1 . ]" 1
458 1 71 ASN HB3 1 72 ILE H 4.337 . 4.337 3.123 2.566 4.386 0.049 17 0 "[ . 1 . ]" 1
459 1 44 ILE H 1 44 ILE HB . . 2.968 2.454 2.278 2.707 . 0 0 "[ . 1 . ]" 1
460 1 30 ILE MD 1 44 ILE HA 5.976 . 6.976 5.723 5.640 5.790 . 0 0 "[ . 1 . ]" 1
461 1 61 LYS HA 1 61 LYS HB2 3.075 . 3.075 2.827 2.383 3.037 . 0 0 "[ . 1 . ]" 1
462 1 20 LYS HA 1 20 LYS HD3 3.284 . 3.284 2.668 2.158 3.867 0.583 1 1 "[+ . 1 . ]" 1
463 1 9 ASP HA 1 12 LEU HB3 3.961 . 3.961 2.785 2.321 3.666 . 0 0 "[ . 1 . ]" 1
464 1 15 MET HA 1 18 ILE HB 3.443 . 3.443 2.688 2.337 3.043 . 0 0 "[ . 1 . ]" 1
465 1 22 SER HA 1 22 SER HB2 2.674 . 2.674 2.665 2.557 3.054 0.380 8 0 "[ . 1 . ]" 1
466 1 26 THR HA 1 29 VAL MG1 3.891 . 4.891 2.281 2.055 2.736 . 0 0 "[ . 1 . ]" 1
467 1 30 ILE HA 1 44 ILE MG 3.542 . 4.542 2.278 2.157 2.424 . 0 0 "[ . 1 . ]" 1
468 1 49 LEU HA 1 52 ILE MD 3.347 . 4.347 2.533 2.133 2.939 . 0 0 "[ . 1 . ]" 1
469 1 49 LEU HA 1 52 ILE HB 2.834 . 2.834 2.694 2.459 2.873 0.039 8 0 "[ . 1 . ]" 1
470 1 56 ALA HA 1 72 ILE MG 2.671 . 3.671 2.806 2.047 3.307 . 0 0 "[ . 1 . ]" 1
471 1 57 LEU QD 1 70 PRO HA 4.022 . 4.210 2.149 1.914 2.531 . 0 0 "[ . 1 . ]" 1
472 1 20 LYS HA 1 20 LYS QG 3.467 . 3.467 3.034 2.319 3.173 . 0 0 "[ . 1 . ]" 1
473 1 31 LYS HA 1 31 LYS HD3 3.244 . 3.244 2.486 2.170 3.695 0.451 18 0 "[ . 1 . ]" 1
474 1 35 LYS HA 1 35 LYS QD 3.746 . 4.746 3.812 2.138 4.205 . 0 0 "[ . 1 . ]" 1
475 1 35 LYS HA 1 35 LYS HG3 2.981 . 2.981 2.836 2.352 3.744 0.763 16 2 "[ . -1 .+ ]" 1
476 1 16 LYS HA 1 16 LYS HG3 2.780 . 2.880 2.705 2.261 3.719 0.839 17 1 "[ . 1 . + ]" 1
477 1 53 LYS HA 1 53 LYS HG3 2.970 . 2.970 2.651 2.397 3.000 0.030 12 0 "[ . 1 . ]" 1
478 1 5 PRO HB2 1 72 ILE MG 5.875 . 5.875 4.448 2.866 5.245 . 0 0 "[ . 1 . ]" 1
479 1 5 PRO HB2 1 5 PRO HG3 2.973 . 2.973 2.866 2.683 3.016 0.043 12 0 "[ . 1 . ]" 1
480 1 7 ILE HB 1 7 ILE HG12 3.010 . 3.010 2.609 2.359 3.049 0.039 19 0 "[ . 1 . ]" 1
481 1 7 ILE HB 1 7 ILE MD 3.477 . 4.373 3.027 2.278 3.283 . 0 0 "[ . 1 . ]" 1
482 1 7 ILE HG13 1 7 ILE MG 2.673 . 3.673 2.586 2.213 3.256 . 0 0 "[ . 1 . ]" 1
483 1 7 ILE MD 1 7 ILE MG 2.985 . 4.506 2.062 2.002 2.144 . 0 0 "[ . 1 . ]" 1
484 1 7 ILE HA 1 7 ILE MD 3.821 . 4.821 2.561 2.066 3.726 . 0 0 "[ . 1 . ]" 1
485 1 11 GLU HB2 1 11 GLU HG2 3.104 . 3.104 3.046 3.030 3.063 . 0 0 "[ . 1 . ]" 1
486 1 12 LEU HA 1 12 LEU MD1 3.645 . 4.645 2.643 2.009 3.830 . 0 0 "[ . 1 . ]" 1
487 1 12 LEU HB3 1 12 LEU MD1 2.909 . 3.909 2.847 2.242 3.266 . 0 0 "[ . 1 . ]" 1
488 1 12 LEU HA 1 12 LEU MD2 3.244 . 4.244 3.139 2.081 3.948 . 0 0 "[ . 1 . ]" 1
489 1 12 LEU HB3 1 12 LEU MD2 2.812 . 3.812 2.666 2.257 3.265 . 0 0 "[ . 1 . ]" 1
490 1 13 GLU H 1 13 GLU HG3 3.528 . 3.528 3.541 2.296 3.801 0.273 6 0 "[ . 1 . ]" 1
491 1 13 GLU HB3 1 13 GLU HG3 2.706 . 2.706 2.564 2.415 3.056 0.350 7 0 "[ . 1 . ]" 1
492 1 14 VAL HB 1 15 MET H 4.452 . 4.452 3.548 2.514 4.203 . 0 0 "[ . 1 . ]" 1
493 1 14 VAL MG1 1 14 VAL MG2 2.475 . 4.298 2.126 2.076 2.184 . 0 0 "[ . 1 . ]" 1
494 1 17 VAL HB 1 17 VAL MG1 2.379 . 3.379 2.136 2.120 2.155 . 0 0 "[ . 1 . ]" 1
495 1 17 VAL MG1 1 17 VAL MG2 2.295 . 4.295 2.068 2.030 2.110 . 0 0 "[ . 1 . ]" 1
496 1 18 ILE HB 1 18 ILE QG . . 2.410 2.368 2.117 2.533 0.123 13 0 "[ . 1 . ]" 1
497 1 18 ILE HA 1 18 ILE QG 3.925 . 3.925 2.409 2.248 2.688 . 0 0 "[ . 1 . ]" 1
498 1 18 ILE MD 1 18 ILE MG 3.240 . 4.583 2.069 1.933 2.186 . 0 0 "[ . 1 . ]" 1
499 1 24 ILE HB 1 24 ILE MD 3.329 . 4.329 2.271 2.240 2.312 . 0 0 "[ . 1 . ]" 1
500 1 24 ILE HG13 1 24 ILE MG 3.101 . 4.101 3.218 3.190 3.237 . 0 0 "[ . 1 . ]" 1
501 1 24 ILE HA 1 24 ILE HG12 3.794 . 3.794 3.226 3.094 3.411 . 0 0 "[ . 1 . ]" 1
502 1 24 ILE HG12 1 24 ILE MG 2.801 . 3.801 2.300 2.245 2.382 . 0 0 "[ . 1 . ]" 1
503 1 24 ILE MD 1 24 ILE MG 2.877 . 4.632 2.174 2.103 2.232 . 0 0 "[ . 1 . ]" 1
504 1 24 ILE HA 1 24 ILE MD 4.135 . 5.135 3.627 3.560 3.693 . 0 0 "[ . 1 . ]" 1
505 1 28 GLU HA 1 28 GLU HG2 3.739 . 3.739 2.722 2.428 3.672 . 0 0 "[ . 1 . ]" 1
506 1 28 GLU HB3 1 28 GLU HG2 2.415 . 2.415 2.519 2.279 3.048 0.633 19 3 "[ - .* 1 . +]" 1
507 1 28 GLU HA 1 28 GLU HG3 3.320 . 3.320 3.027 2.469 3.701 0.381 6 0 "[ . 1 . ]" 1
508 1 28 GLU HB3 1 28 GLU HG3 3.055 . 3.055 2.880 2.354 3.066 0.011 16 0 "[ . 1 . ]" 1
509 1 30 ILE HA 1 30 ILE HG13 3.472 . 3.472 3.117 2.799 3.351 . 0 0 "[ . 1 . ]" 1
510 1 30 ILE HA 1 30 ILE HG12 3.601 . 3.601 2.309 2.244 2.504 . 0 0 "[ . 1 . ]" 1
511 1 30 ILE HA 1 30 ILE MG 3.125 . 4.125 2.461 2.410 2.551 . 0 0 "[ . 1 . ]" 1
512 1 30 ILE HA 1 30 ILE MD 3.569 . 4.569 3.673 3.559 3.839 . 0 0 "[ . 1 . ]" 1
513 1 29 VAL HA 1 32 GLU QB 3.573 . 3.573 2.842 2.615 3.136 . 0 0 "[ . 1 . ]" 1
514 1 14 VAL HB 1 33 LEU HG 4.865 . 4.865 3.770 2.340 4.990 0.125 8 0 "[ . 1 . ]" 1
515 1 33 LEU HA 1 33 LEU MD1 2.768 . 3.768 2.169 1.999 2.363 . 0 0 "[ . 1 . ]" 1
516 1 33 LEU QB 1 33 LEU MD1 2.714 . 3.714 2.494 2.355 2.663 . 0 0 "[ . 1 . ]" 1
517 1 41 PRO HB3 1 41 PRO HG3 2.471 . 2.471 2.384 2.188 2.425 . 0 0 "[ . 1 . ]" 1
518 1 44 ILE HA 1 44 ILE HG12 3.792 . 3.792 2.784 2.329 3.464 . 0 0 "[ . 1 . ]" 1
519 1 45 GLN HB3 1 45 GLN HG3 3.076 . 3.076 2.935 2.464 3.074 . 0 0 "[ . 1 . ]" 1
520 1 45 GLN HA 1 45 GLN HG2 3.544 . 3.544 2.580 2.415 2.988 . 0 0 "[ . 1 . ]" 1
521 1 48 LEU HB3 1 48 LEU MD1 3.107 . 4.088 2.539 2.300 3.125 . 0 0 "[ . 1 . ]" 1
522 1 48 LEU HB2 1 48 LEU MD2 3.182 . 3.772 3.102 2.437 3.247 . 0 0 "[ . 1 . ]" 1
523 1 48 LEU MD1 1 48 LEU MD2 2.773 . 4.179 2.078 2.031 2.118 . 0 0 "[ . 1 . ]" 1
524 1 49 LEU HA 1 49 LEU MD1 3.140 . 4.140 3.415 3.317 3.552 . 0 0 "[ . 1 . ]" 1
525 1 49 LEU HA 1 49 LEU MD2 3.261 . 4.261 2.858 2.167 3.569 . 0 0 "[ . 1 . ]" 1
526 1 50 ARG HB3 1 50 ARG HD3 3.476 . 3.476 2.898 2.299 3.670 0.194 1 0 "[ . 1 . ]" 1
527 1 51 LEU HB2 1 51 LEU HG 3.082 . 3.082 2.701 2.355 3.009 . 0 0 "[ . 1 . ]" 1
528 1 48 LEU HA 1 51 LEU QD 3.448 . 4.448 2.830 2.373 3.306 . 0 0 "[ . 1 . ]" 1
529 1 15 MET HG2 1 51 LEU QD 3.876 . 3.876 2.372 2.036 2.825 . 0 0 "[ . 1 . ]" 1
530 1 51 LEU HB2 1 51 LEU QD 2.670 . 3.670 2.243 2.185 2.344 . 0 0 "[ . 1 . ]" 1
531 1 51 LEU HA 1 51 LEU QD 2.790 . 3.790 2.147 2.016 2.279 . 0 0 "[ . 1 . ]" 1
532 1 52 ILE HB 1 52 ILE HG12 . . 3.012 3.040 3.029 3.056 0.044 17 0 "[ . 1 . ]" 1
533 1 52 ILE HB 1 52 ILE HG13 2.433 . 2.433 2.605 2.489 2.634 0.201 3 0 "[ . 1 . ]" 1
534 1 52 ILE HB 1 52 ILE MD 3.311 . 4.311 2.315 2.239 2.358 . 0 0 "[ . 1 . ]" 1
535 1 52 ILE HA 1 52 ILE HG13 3.373 . 3.373 2.742 2.667 3.197 . 0 0 "[ . 1 . ]" 1
536 1 52 ILE HA 1 52 ILE MG 3.026 . 4.026 2.483 2.324 2.525 . 0 0 "[ . 1 . ]" 1
537 1 52 ILE MD 1 52 ILE MG 3.099 . 5.099 2.137 2.102 2.170 . 0 0 "[ . 1 . ]" 1
538 1 57 LEU MD1 1 57 LEU MD2 2.585 . 4.585 2.068 2.040 2.115 . 0 0 "[ . 1 . ]" 1
539 1 62 GLU HB2 1 62 GLU HG2 2.934 . 2.934 2.779 2.439 3.064 0.130 19 0 "[ . 1 . ]" 1
540 1 64 ARG HD3 1 64 ARG HG3 . . 2.743 2.710 2.369 3.060 0.317 17 0 "[ . 1 . ]" 1
541 1 64 ARG HB3 1 64 ARG HG3 3.112 . 3.112 2.781 2.378 3.062 . 0 0 "[ . 1 . ]" 1
542 1 67 VAL HA 1 67 VAL MG1 3.498 . 4.498 2.523 2.361 2.661 . 0 0 "[ . 1 . ]" 1
543 1 67 VAL HA 1 67 VAL MG2 3.528 . 4.528 2.434 2.244 3.259 . 0 0 "[ . 1 . ]" 1
544 1 70 PRO HA 1 70 PRO QG 3.736 . 3.736 2.992 2.687 3.495 . 0 0 "[ . 1 . ]" 1
545 1 18 ILE MG 1 70 PRO QG 5.447 . 5.447 2.244 1.964 3.015 . 0 0 "[ . 1 . ]" 1
546 1 72 ILE HB 1 72 ILE MD 3.551 . 4.353 2.808 2.216 3.304 . 0 0 "[ . 1 . ]" 1
547 1 72 ILE HG12 1 72 ILE MG 3.383 . 4.383 2.688 2.065 3.222 . 0 0 "[ . 1 . ]" 1
548 1 72 ILE HA 1 72 ILE MG 3.172 . 4.172 2.356 2.106 2.624 . 0 0 "[ . 1 . ]" 1
549 1 72 ILE HG13 1 72 ILE MG 3.256 . 3.350 2.557 2.216 3.226 . 0 0 "[ . 1 . ]" 1
550 1 72 ILE MD 1 72 ILE MG 2.960 . 4.641 2.427 1.967 3.322 . 0 0 "[ . 1 . ]" 1
551 1 72 ILE HA 1 72 ILE MD 4.348 . 5.348 3.822 3.594 4.231 . 0 0 "[ . 1 . ]" 1
552 1 78 ILE HB 1 78 ILE HG13 . . 3.117 2.424 2.379 2.513 . 0 0 "[ . 1 . ]" 1
553 1 78 ILE HB 1 78 ILE MD 2.596 . 3.596 2.670 2.363 3.274 . 0 0 "[ . 1 . ]" 1
554 1 78 ILE HG13 1 78 ILE MG 3.276 . 4.276 3.008 2.347 3.246 . 0 0 "[ . 1 . ]" 1
555 1 78 ILE MD 1 78 ILE MG 1.398 . 3.398 2.056 2.035 2.075 . 0 0 "[ . 1 . ]" 1
556 1 78 ILE HA 1 78 ILE MD 3.844 . 4.844 3.397 2.175 3.864 . 0 0 "[ . 1 . ]" 1
557 1 79 GLU HB3 1 79 GLU HG3 3.118 . 3.118 2.867 2.453 3.063 . 0 0 "[ . 1 . ]" 1
558 1 79 GLU HB2 1 79 GLU HG3 2.996 . 2.996 2.614 2.359 3.059 0.063 12 0 "[ . 1 . ]" 1
559 1 79 GLU HA 1 79 GLU HG3 3.513 . 3.513 2.932 2.339 3.675 0.162 17 0 "[ . 1 . ]" 1
560 1 7 ILE MD 1 12 LEU HA 3.873 . 4.873 3.719 3.212 3.990 . 0 0 "[ . 1 . ]" 1
561 1 18 ILE MD 1 68 TYR HB2 3.505 . 4.505 3.031 2.082 3.636 . 0 0 "[ . 1 . ]" 1
562 1 57 LEU H 1 57 LEU HB2 3.743 . 3.743 2.529 2.270 2.816 . 0 0 "[ . 1 . ]" 1
563 1 12 LEU H 1 12 LEU HB2 3.276 . 3.276 2.418 2.158 2.714 . 0 0 "[ . 1 . ]" 1
564 1 50 ARG H 1 50 ARG HB3 3.520 . 3.520 3.591 3.533 3.668 0.148 7 0 "[ . 1 . ]" 1
565 1 48 LEU HB3 1 49 LEU H 3.239 . 3.239 3.350 3.214 3.506 0.267 14 0 "[ . 1 . ]" 1
566 1 48 LEU HB2 1 49 LEU H 3.645 . 3.645 2.496 2.285 3.856 0.211 11 0 "[ . 1 . ]" 1
567 1 21 HIS HB2 1 24 ILE HB . . 3.453 2.961 2.465 3.521 0.068 8 0 "[ . 1 . ]" 1
568 1 21 HIS HB3 1 24 ILE HB . . 3.506 3.127 2.505 3.500 . 0 0 "[ . 1 . ]" 1
569 1 62 GLU H 1 66 PHE HB2 3.943 . 4.443 4.288 3.812 4.523 0.080 17 0 "[ . 1 . ]" 1
570 1 62 GLU H 1 66 PHE HB3 4.176 . 4.176 3.765 3.429 4.008 . 0 0 "[ . 1 . ]" 1
571 1 71 ASN H 1 71 ASN HB2 4.368 . 4.368 2.533 2.215 3.731 . 0 0 "[ . 1 . ]" 1
572 1 9 ASP HB3 1 10 ALA H 4.056 . 4.056 2.562 2.202 3.853 . 0 0 "[ . 1 . ]" 1
573 1 30 ILE H 1 30 ILE HB 3.012 . 3.012 2.502 2.393 2.612 . 0 0 "[ . 1 . ]" 1
574 1 44 ILE HB 1 45 GLN H 3.289 . 3.289 2.536 2.341 2.705 . 0 0 "[ . 1 . ]" 1
575 1 28 GLU H 1 28 GLU HG3 3.651 . 3.651 2.673 2.206 3.756 0.105 1 0 "[ . 1 . ]" 1
576 1 65 VAL H 1 65 VAL HB 3.873 . 3.873 3.705 3.127 3.906 0.033 15 0 "[ . 1 . ]" 1
577 1 45 GLN H 1 45 GLN HG2 . . 3.664 3.368 2.241 3.702 0.038 16 0 "[ . 1 . ]" 1
578 1 47 MET H 1 47 MET HB3 3.605 . 3.605 3.603 3.558 3.645 0.040 4 0 "[ . 1 . ]" 1
579 1 16 LYS H 1 16 LYS HB2 3.079 . 3.079 2.359 2.190 2.518 . 0 0 "[ . 1 . ]" 1
580 1 21 HIS HB2 1 24 ILE MD 4.187 . 5.187 3.165 2.646 4.075 . 0 0 "[ . 1 . ]" 1
581 1 21 HIS HB3 1 24 ILE MD 4.153 . 5.153 3.576 2.979 4.033 . 0 0 "[ . 1 . ]" 1
582 1 21 HIS HB3 1 24 ILE MG 3.808 . 4.808 4.467 3.844 4.973 0.165 12 0 "[ . 1 . ]" 1
583 1 21 HIS HB2 1 24 ILE MG 4.940 . 5.940 4.187 3.115 4.819 . 0 0 "[ . 1 . ]" 1
584 1 53 LYS H 1 53 LYS HB2 2.651 . 2.651 2.403 2.342 2.465 . 0 0 "[ . 1 . ]" 1
585 1 62 GLU HB2 1 67 VAL MG2 2.808 . 3.808 2.441 2.047 3.801 . 0 0 "[ . 1 . ]" 1
586 1 62 GLU HB3 1 67 VAL MG2 3.579 . 4.579 2.798 2.286 4.418 . 0 0 "[ . 1 . ]" 1
587 1 62 GLU H 1 62 GLU HB2 4.017 . 4.017 2.643 2.267 3.163 . 0 0 "[ . 1 . ]" 1
588 1 79 GLU H 1 79 GLU HB3 3.528 . 3.528 3.087 2.502 3.588 0.060 1 0 "[ . 1 . ]" 1
589 1 79 GLU H 1 79 GLU HB2 3.410 . 3.410 2.551 2.297 3.424 0.014 9 0 "[ . 1 . ]" 1
590 1 30 ILE H 1 30 ILE HG13 2.964 . 2.964 2.253 2.140 2.404 . 0 0 "[ . 1 . ]" 1
591 1 39 TRP HB3 1 39 TRP HD1 3.556 . 3.556 3.142 2.893 3.439 . 0 0 "[ . 1 . ]" 1
592 1 32 GLU H 1 32 GLU QB 2.563 . 2.563 2.198 2.126 2.300 . 0 0 "[ . 1 . ]" 1
593 1 13 GLU HB3 1 14 VAL QG 3.716 . 4.716 3.875 3.604 4.199 . 0 0 "[ . 1 . ]" 1
594 1 13 GLU HB2 1 14 VAL QG 4.086 . 5.086 3.201 2.838 4.236 . 0 0 "[ . 1 . ]" 1
595 1 45 GLN H 1 45 GLN HB2 3.583 . 3.583 2.380 2.303 2.462 . 0 0 "[ . 1 . ]" 1
596 1 45 GLN H 1 45 GLN HB3 3.557 . 3.557 3.574 3.559 3.592 0.035 11 0 "[ . 1 . ]" 1
597 1 52 ILE H 1 52 ILE HG13 3.583 . 3.583 2.284 2.141 2.429 . 0 0 "[ . 1 . ]" 1
598 1 30 ILE MG 1 41 PRO HG3 3.525 . 4.525 2.555 2.414 2.713 . 0 0 "[ . 1 . ]" 1
599 1 50 ARG H 1 50 ARG HG2 . . 3.717 2.764 2.292 4.102 0.385 17 0 "[ . 1 . ]" 1
600 1 50 ARG HG2 1 51 LEU H 4.633 . 4.633 4.708 4.524 5.056 0.423 3 0 "[ . 1 . ]" 1
601 1 51 LEU H 1 51 LEU HG 3.410 . 3.410 2.843 2.026 3.699 0.289 14 0 "[ . 1 . ]" 1
602 1 14 VAL HA 1 33 LEU HG 3.683 . 3.683 3.396 2.932 3.695 0.012 1 0 "[ . 1 . ]" 1
603 1 18 ILE QG 1 33 LEU MD1 3.683 . 4.683 4.069 2.569 5.464 0.781 19 3 "[ . 1 * .- +]" 1
604 1 48 LEU MD1 1 68 TYR QE 3.835 . 6.580 2.890 2.612 3.214 . 0 0 "[ . 1 . ]" 1
605 1 48 LEU MD2 1 51 LEU QD 3.985 . 5.985 3.425 2.746 4.912 . 0 0 "[ . 1 . ]" 1
606 1 33 LEU H 1 33 LEU MD1 2.736 . 3.736 2.894 2.235 3.807 0.071 8 0 "[ . 1 . ]" 1
607 1 17 VAL H 1 17 VAL MG2 3.200 . 4.200 2.462 2.272 2.944 . 0 0 "[ . 1 . ]" 1
608 1 14 VAL HA 1 17 VAL MG1 3.676 . 4.676 3.881 3.629 4.261 . 0 0 "[ . 1 . ]" 1
609 1 17 VAL MG1 1 32 GLU QG 2.927 . 3.927 2.147 1.894 2.703 . 0 0 "[ . 1 . ]" 1
610 1 17 VAL MG2 1 32 GLU QG 3.214 . 4.214 2.813 2.197 3.466 . 0 0 "[ . 1 . ]" 1
611 1 17 VAL MG2 1 18 ILE H 4.600 . 5.600 4.066 3.986 4.235 . 0 0 "[ . 1 . ]" 1
612 1 14 VAL QG 1 48 LEU MD2 3.082 . 5.082 3.088 2.098 3.384 . 0 0 "[ . 1 . ]" 1
613 1 14 VAL QG 1 15 MET HG3 3.958 . 4.958 3.777 3.180 4.552 . 0 0 "[ . 1 . ]" 1
614 1 67 VAL H 1 67 VAL MG1 4.404 . 5.404 3.590 2.335 3.790 . 0 0 "[ . 1 . ]" 1
615 1 29 VAL MG2 1 48 LEU MD2 3.827 . 5.827 2.625 2.170 3.188 . 0 0 "[ . 1 . ]" 1
616 1 39 TRP HB3 1 43 THR MG 3.542 . 4.542 2.280 2.179 2.439 . 0 0 "[ . 1 . ]" 1
617 1 43 THR HA 1 43 THR MG 3.236 . 4.236 2.362 2.289 2.412 . 0 0 "[ . 1 . ]" 1
618 1 35 LYS QB 1 36 THR MG 3.023 . 4.023 2.887 2.460 3.058 . 0 0 "[ . 1 . ]" 1
619 1 65 VAL H 1 65 VAL MG1 3.700 . 4.700 2.960 2.050 3.503 . 0 0 "[ . 1 . ]" 1
620 1 46 THR MG 1 47 MET HG3 5.084 . 6.084 4.590 4.006 5.904 . 0 0 "[ . 1 . ]" 1
621 1 67 VAL H 1 67 VAL MG2 2.954 . 3.954 2.675 2.260 3.071 . 0 0 "[ . 1 . ]" 1
622 1 25 ASN QB 1 67 VAL MG2 3.357 . 4.357 2.567 2.068 4.874 0.517 17 1 "[ . 1 . + ]" 1
623 1 51 LEU QD 1 56 ALA MB 2.472 . 4.472 2.460 1.883 3.068 . 0 0 "[ . 1 . ]" 1
624 1 56 ALA MB 1 72 ILE HG13 3.692 . 4.692 3.629 2.656 4.090 . 0 0 "[ . 1 . ]" 1
625 1 25 ASN QB 1 65 VAL MG2 3.914 . 4.464 2.171 1.929 2.455 . 0 0 "[ . 1 . ]" 1
626 1 65 VAL H 1 65 VAL MG2 3.217 . 4.217 2.207 1.888 3.860 . 0 0 "[ . 1 . ]" 1
627 1 5 PRO HD2 1 72 ILE MG 3.635 . 4.635 3.512 2.503 4.579 . 0 0 "[ . 1 . ]" 1
628 1 44 ILE MG 1 45 GLN H 4.907 . 5.907 3.171 2.737 3.622 . 0 0 "[ . 1 . ]" 1
629 1 44 ILE MG 1 45 GLN HG2 4.220 . 5.220 4.112 2.949 4.815 . 0 0 "[ . 1 . ]" 1
630 1 7 ILE MG 1 12 LEU HB2 2.726 . 3.726 2.150 1.922 2.382 . 0 0 "[ . 1 . ]" 1
631 1 7 ILE MG 1 11 GLU HB3 3.399 . 4.399 2.799 2.164 3.900 . 0 0 "[ . 1 . ]" 1
632 1 7 ILE MG 1 12 LEU HA 3.760 . 4.760 2.584 2.140 3.775 . 0 0 "[ . 1 . ]" 1
633 1 30 ILE H 1 30 ILE MG 4.375 . 5.375 3.793 3.768 3.827 . 0 0 "[ . 1 . ]" 1
634 1 30 ILE MG 1 31 LYS H 4.907 . 5.907 3.398 3.228 3.574 . 0 0 "[ . 1 . ]" 1
635 1 52 ILE H 1 52 ILE MG 3.405 . 4.405 3.764 3.741 3.791 . 0 0 "[ . 1 . ]" 1
636 1 24 ILE MG 1 68 TYR QD 4.985 . 4.985 2.345 2.130 2.646 . 0 0 "[ . 1 . ]" 1
637 1 24 ILE MG 1 68 TYR HB2 3.348 . 5.348 2.593 2.206 2.919 . 0 0 "[ . 1 . ]" 1
638 1 30 ILE H 1 30 ILE MD 3.979 . 4.979 3.786 3.533 3.917 . 0 0 "[ . 1 . ]" 1
639 1 71 ASN HB2 1 72 ILE MD 4.309 . 5.309 4.627 3.640 5.904 0.595 2 1 "[ + . 1 . ]" 1
640 1 9 ASP H 1 9 ASP HB3 3.053 . 3.053 2.517 2.235 2.605 . 0 0 "[ . 1 . ]" 1
641 1 57 LEU QD 1 70 PRO QG 4.312 . 5.312 3.322 2.727 3.900 . 0 0 "[ . 1 . ]" 1
642 1 51 LEU HB2 1 57 LEU QD 3.528 . 4.528 2.839 2.307 3.499 . 0 0 "[ . 1 . ]" 1
643 1 48 LEU HA 1 57 LEU QD 4.177 . 5.177 3.408 2.820 4.044 . 0 0 "[ . 1 . ]" 1
644 1 51 LEU HB3 1 57 LEU QD 3.723 . 4.723 2.518 2.107 3.050 . 0 0 "[ . 1 . ]" 1
645 1 7 ILE MD 1 11 GLU HB2 3.357 . 4.357 3.506 2.709 4.320 . 0 0 "[ . 1 . ]" 1
646 1 12 LEU MD2 1 77 TYR QB 3.968 . 4.968 3.592 2.032 5.246 0.278 14 0 "[ . 1 . ]" 1
647 1 18 ILE MG 1 70 PRO HD3 3.496 . 4.496 2.699 2.234 3.394 . 0 0 "[ . 1 . ]" 1
648 1 18 ILE HA 1 24 ILE MG 3.405 . 4.405 2.652 2.245 3.188 . 0 0 "[ . 1 . ]" 1
649 1 17 VAL MG1 1 32 GLU QB 3.362 . 4.362 2.571 1.998 3.234 . 0 0 "[ . 1 . ]" 1
650 1 5 PRO HG2 1 72 ILE MG 3.921 . 4.921 3.197 2.266 3.868 . 0 0 "[ . 1 . ]" 1
651 1 5 PRO HG3 1 72 ILE MG 3.569 . 4.569 2.749 2.084 3.960 . 0 0 "[ . 1 . ]" 1
652 1 61 LYS H 1 61 LYS HB2 3.799 . 3.799 2.674 2.284 3.629 . 0 0 "[ . 1 . ]" 1
653 1 41 PRO HA 1 44 ILE HB 3.882 . 3.882 2.598 2.305 3.207 . 0 0 "[ . 1 . ]" 1
654 1 30 ILE MG 1 41 PRO HB3 2.823 . 3.823 2.705 2.353 3.011 . 0 0 "[ . 1 . ]" 1
655 1 30 ILE MG 1 41 PRO HG2 3.607 . 4.607 3.803 3.697 3.868 . 0 0 "[ . 1 . ]" 1
656 1 44 ILE H 1 44 ILE HG13 3.058 . 3.058 2.732 1.974 3.819 0.761 15 6 "[- . * + ***]" 1
657 1 51 LEU HB3 1 56 ALA MB 3.019 . 4.019 2.286 1.984 2.801 . 0 0 "[ . 1 . ]" 1
658 1 5 PRO HB3 1 51 LEU QD 3.978 . 4.978 4.287 3.218 5.324 0.346 8 0 "[ . 1 . ]" 1
659 1 30 ILE HB 1 31 LYS H 3.112 . 3.112 2.735 2.630 2.855 . 0 0 "[ . 1 . ]" 1
660 1 18 ILE MD 1 68 TYR HB3 3.698 . 5.198 3.252 2.489 3.834 . 0 0 "[ . 1 . ]" 1
661 1 24 ILE HG12 1 29 VAL HB 4.476 . 4.476 2.682 2.349 2.934 . 0 0 "[ . 1 . ]" 1
662 1 24 ILE HG13 1 29 VAL HB 4.652 . 4.652 4.442 4.122 4.663 0.011 3 0 "[ . 1 . ]" 1
663 1 26 THR MG 1 48 LEU MD1 3.963 . 5.963 3.000 2.543 4.335 . 0 0 "[ . 1 . ]" 1
664 1 25 ASN H 1 28 GLU HB2 3.556 . 3.556 2.526 2.274 3.086 . 0 0 "[ . 1 . ]" 1
665 1 24 ILE MD 1 28 GLU HB3 3.831 . 4.831 2.420 2.215 2.554 . 0 0 "[ . 1 . ]" 1
666 1 24 ILE HG13 1 28 GLU HB2 3.531 . 3.531 2.486 2.319 2.784 . 0 0 "[ . 1 . ]" 1
667 1 24 ILE HG13 1 28 GLU HB3 3.410 . 3.410 2.573 2.326 3.047 . 0 0 "[ . 1 . ]" 1
668 1 29 VAL MG1 1 48 LEU MD2 3.813 . 5.813 2.399 1.964 2.727 . 0 0 "[ . 1 . ]" 1
669 1 30 ILE MD 1 41 PRO HB3 3.272 . 4.272 2.349 2.068 2.698 . 0 0 "[ . 1 . ]" 1
670 1 30 ILE MD 1 41 PRO HA 3.716 . 4.716 2.787 2.405 3.320 . 0 0 "[ . 1 . ]" 1
671 1 30 ILE MG 1 41 PRO HA 3.410 . 4.410 2.521 2.228 2.992 . 0 0 "[ . 1 . ]" 1
672 1 30 ILE MD 1 45 GLN HG2 4.847 . 5.847 3.042 2.353 3.613 . 0 0 "[ . 1 . ]" 1
673 1 30 ILE HG12 1 44 ILE MG 3.808 . 4.808 2.154 2.044 2.300 . 0 0 "[ . 1 . ]" 1
674 1 30 ILE HG13 1 44 ILE MG 3.339 . 4.339 3.272 2.469 3.593 . 0 0 "[ . 1 . ]" 1
675 1 26 THR MG 1 48 LEU MD2 4.468 . 6.468 4.155 3.119 4.332 . 0 0 "[ . 1 . ]" 1
676 1 45 GLN HB2 1 46 THR H 3.792 . 3.792 2.781 2.605 2.961 . 0 0 "[ . 1 . ]" 1
677 1 44 ILE MG 1 48 LEU HG 3.410 . 4.710 2.996 2.503 3.910 . 0 0 "[ . 1 . ]" 1
678 1 44 ILE MG 1 48 LEU MD2 3.410 . 6.610 3.290 2.015 3.681 . 0 0 "[ . 1 . ]" 1
679 1 45 GLN HA 1 48 LEU HB2 4.874 . 4.874 2.667 2.347 4.922 0.048 11 0 "[ . 1 . ]" 1
680 1 25 ASN HA 1 68 TYR QE 5.143 . 7.143 4.433 3.388 5.432 . 0 0 "[ . 1 . ]" 1
681 1 26 THR HB 1 68 TYR QE 4.369 . 6.369 4.337 4.041 4.712 . 0 0 "[ . 1 . ]" 1
682 1 26 THR HA 1 68 TYR QE 3.240 . 5.240 2.156 2.077 2.326 . 0 0 "[ . 1 . ]" 1
683 1 29 VAL HB 1 68 TYR QE 4.382 . 6.382 3.235 2.702 3.563 . 0 0 "[ . 1 . ]" 1
684 1 26 THR MG 1 68 TYR QE 4.016 . 7.016 2.646 2.134 3.315 . 0 0 "[ . 1 . ]" 1
685 1 52 ILE MD 1 68 TYR QE 3.422 . 6.422 2.316 2.173 2.627 . 0 0 "[ . 1 . ]" 1
686 1 48 LEU MD2 1 68 TYR QE 3.923 . 6.923 3.127 2.788 3.989 . 0 0 "[ . 1 . ]" 1
687 1 15 MET HG3 1 19 TRP HZ3 4.552 . 4.552 4.544 3.828 5.008 0.456 19 0 "[ . 1 . ]" 1
688 1 19 TRP HZ2 1 57 LEU QD 4.416 . 5.416 4.472 4.364 4.565 . 0 0 "[ . 1 . ]" 1
689 1 26 THR MG 1 66 PHE QD 4.759 . 7.759 3.731 3.050 4.741 . 0 0 "[ . 1 . ]" 1
690 1 26 THR MG 1 66 PHE QE 4.349 . 7.349 3.030 2.429 4.312 . 0 0 "[ . 1 . ]" 1
691 1 19 TRP HA 1 19 TRP HD1 3.676 . 3.676 2.277 2.158 2.455 . 0 0 "[ . 1 . ]" 1
692 1 19 TRP HD1 1 70 PRO HB2 3.676 . 3.776 3.593 3.202 3.909 0.133 10 0 "[ . 1 . ]" 1
693 1 19 TRP HD1 1 70 PRO HB3 4.101 . 4.101 3.537 2.713 4.129 0.028 12 0 "[ . 1 . ]" 1
694 1 19 TRP HD1 1 70 PRO QG 3.853 . 3.853 2.579 2.312 3.083 . 0 0 "[ . 1 . ]" 1
695 1 37 SER HB2 1 39 TRP HZ3 4.407 . 4.407 3.389 2.876 4.264 . 0 0 "[ . 1 . ]" 1
696 1 14 VAL HB 1 39 TRP HZ3 4.923 . 4.923 4.760 3.911 4.979 0.056 13 0 "[ . 1 . ]" 1
697 1 39 TRP HB3 1 39 TRP HE3 3.906 . 3.906 3.647 3.231 3.939 0.033 3 0 "[ . 1 . ]" 1
698 1 19 TRP HZ2 1 72 ILE HB 5.123 . 5.123 3.819 2.769 5.145 0.022 17 0 "[ . 1 . ]" 1
699 1 19 TRP HH2 1 57 LEU QD 5.773 . 6.773 5.424 5.054 5.601 . 0 0 "[ . 1 . ]" 1
700 1 7 ILE MD 1 19 TRP HH2 5.142 . 6.142 4.385 2.846 5.065 . 0 0 "[ . 1 . ]" 1
701 1 25 ASN HA 1 68 TYR QD 4.427 . 6.427 4.190 3.644 4.765 . 0 0 "[ . 1 . ]" 1
702 1 59 HIS HA 1 68 TYR QD 4.816 . 6.816 3.818 2.840 4.311 . 0 0 "[ . 1 . ]" 1
703 1 39 TRP HA 1 39 TRP HD1 3.691 . 3.691 2.473 2.313 2.762 . 0 0 "[ . 1 . ]" 1
704 1 10 ALA MB 1 39 TRP HZ2 3.478 . 4.478 2.874 2.549 3.457 . 0 0 "[ . 1 . ]" 1
705 1 39 TRP HA 1 39 TRP HE3 5.533 . 5.533 5.245 5.095 5.329 . 0 0 "[ . 1 . ]" 1
706 1 33 LEU QB 1 39 TRP HE3 4.987 . 4.987 2.761 2.356 3.303 . 0 0 "[ . 1 . ]" 1
707 1 34 SER HA 1 39 TRP HE3 5.333 . 5.333 4.998 4.391 5.371 0.038 8 0 "[ . 1 . ]" 1
708 1 26 THR HA 1 68 TYR QD 4.454 . 6.454 3.842 3.299 4.483 . 0 0 "[ . 1 . ]" 1
709 1 26 THR HB 1 68 TYR QD 4.774 . 7.774 6.217 5.796 6.857 . 0 0 "[ . 1 . ]" 1
710 1 19 TRP HZ3 1 77 TYR QD 4.158 . 6.158 4.666 3.287 5.671 . 0 0 "[ . 1 . ]" 1
711 1 19 TRP HH2 1 77 TYR QD 4.117 . 6.117 4.376 3.064 5.301 . 0 0 "[ . 1 . ]" 1
712 1 19 TRP HZ3 1 77 TYR QB 5.191 . 5.191 3.566 2.805 4.390 . 0 0 "[ . 1 . ]" 1
713 1 19 TRP HH2 1 77 TYR QB 4.363 . 4.376 2.734 2.079 3.582 . 0 0 "[ . 1 . ]" 1
714 1 26 THR MG 1 66 PHE HZ 4.876 . 5.876 3.691 3.030 4.668 . 0 0 "[ . 1 . ]" 1
715 1 48 LEU MD2 1 68 TYR QD 4.433 . 7.433 3.296 2.895 4.697 . 0 0 "[ . 1 . ]" 1
716 1 7 ILE MD 1 77 TYR QE 4.358 . 7.358 4.565 2.347 5.233 . 0 0 "[ . 1 . ]" 1
717 1 52 ILE MD 1 68 TYR QD 3.697 . 6.697 2.746 2.365 3.173 . 0 0 "[ . 1 . ]" 1
718 1 26 THR MG 1 68 TYR QD 4.079 . 7.079 4.596 3.801 5.163 . 0 0 "[ . 1 . ]" 1
719 1 77 TYR HA 1 77 TYR QD 4.106 . 7.106 2.573 2.149 3.756 . 0 0 "[ . 1 . ]" 1
720 1 7 ILE MD 1 77 TYR QD 4.979 . 7.979 4.075 2.570 4.867 . 0 0 "[ . 1 . ]" 1
721 1 49 LEU HA 1 68 TYR QE 5.750 . 7.750 5.801 5.149 6.288 . 0 0 "[ . 1 . ]" 1
722 1 7 ILE HA 1 77 TYR QE 4.690 . 6.690 4.681 3.931 5.537 . 0 0 "[ . 1 . ]" 1
723 1 77 TYR QE 1 78 ILE HG12 4.685 . 7.685 6.170 2.858 7.526 . 0 0 "[ . 1 . ]" 1
724 1 77 TYR QD 1 78 ILE HG12 5.727 . 8.727 5.061 3.242 6.462 . 0 0 "[ . 1 . ]" 1
725 1 12 LEU MD1 1 77 TYR QE 4.454 . 7.454 3.571 2.310 5.116 . 0 0 "[ . 1 . ]" 1
726 1 12 LEU MD1 1 77 TYR QD 3.864 . 6.864 3.187 2.105 5.137 . 0 0 "[ . 1 . ]" 1
727 1 19 TRP HZ2 1 72 ILE MG 5.026 . 6.026 4.570 4.168 4.933 . 0 0 "[ . 1 . ]" 1
728 1 16 LYS HA 1 19 TRP HZ3 4.454 . 4.454 4.160 3.823 4.468 0.014 16 0 "[ . 1 . ]" 1
729 1 16 LYS HA 1 19 TRP HE3 3.007 . 3.007 2.221 2.066 2.429 . 0 0 "[ . 1 . ]" 1
730 1 15 MET HB2 1 19 TRP HE3 3.846 . 3.846 3.711 3.149 4.394 0.548 8 1 "[ . + 1 . ]" 1
731 1 15 MET HB2 1 19 TRP HZ3 4.238 . 4.238 2.896 2.573 3.383 . 0 0 "[ . 1 . ]" 1
732 1 15 MET HG2 1 19 TRP HZ3 5.762 . 5.762 5.305 4.946 5.775 0.013 5 0 "[ . 1 . ]" 1
733 1 61 LYS HA 1 66 PHE QD 4.666 . 6.666 4.360 3.436 4.725 . 0 0 "[ . 1 . ]" 1
734 1 65 VAL HA 1 66 PHE QD 6.290 . 8.290 3.212 2.840 3.705 . 0 0 "[ . 1 . ]" 1
735 1 59 HIS HB3 1 66 PHE QD 4.952 . 6.952 3.970 2.954 6.307 . 0 0 "[ . 1 . ]" 1
736 1 33 LEU HA 1 39 TRP HZ3 5.259 . 5.259 4.398 3.415 5.050 . 0 0 "[ . 1 . ]" 1
737 1 33 LEU HG 1 39 TRP HZ3 3.256 . 3.256 3.056 2.198 3.299 0.043 16 0 "[ . 1 . ]" 1
738 1 39 TRP HD1 1 43 THR MG 3.864 . 4.864 3.144 2.629 3.730 . 0 0 "[ . 1 . ]" 1
739 1 37 SER HB3 1 39 TRP HZ3 5.380 . 5.380 4.463 3.731 5.053 . 0 0 "[ . 1 . ]" 1
740 1 10 ALA MB 1 39 TRP HH2 4.680 . 5.680 3.398 2.713 3.961 . 0 0 "[ . 1 . ]" 1
741 1 13 GLU HB3 1 39 TRP HH2 5.380 . 5.380 3.266 2.387 4.634 . 0 0 "[ . 1 . ]" 1
742 1 59 HIS HD2 1 68 TYR QE 5.780 . 6.780 3.766 2.303 4.751 . 0 0 "[ . 1 . ]" 1
743 1 59 HIS HD2 1 68 TYR QD 6.780 . 7.780 4.377 3.717 5.643 . 0 0 "[ . 1 . ]" 1
744 1 59 HIS HD2 1 66 PHE QD 5.780 . 6.780 3.668 2.472 4.830 . 0 0 "[ . 1 . ]" 1
745 1 48 LEU MD2 1 59 HIS HD2 6.780 . 7.780 6.530 5.859 8.081 0.301 11 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 104
_Distance_constraint_stats_list.Viol_count 71
_Distance_constraint_stats_list.Viol_total 215.439
_Distance_constraint_stats_list.Viol_max 0.993
_Distance_constraint_stats_list.Viol_rms 0.0424
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0057
_Distance_constraint_stats_list.Viol_average_violations_only 0.1597
_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 5 PRO 1.120 0.145 13 0 "[ . 1 . ]"
1 6 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 7 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 9 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 11 GLU 1.143 0.476 19 0 "[ . 1 . ]"
1 12 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 13 GLU 1.433 0.476 19 0 "[ . 1 . ]"
1 14 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 15 MET 1.054 0.117 11 0 "[ . 1 . ]"
1 16 LYS 1.054 0.117 11 0 "[ . 1 . ]"
1 17 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 18 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 19 TRP 0.000 0.000 . 0 "[ . 1 . ]"
1 20 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 21 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 23 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 24 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 25 ASN 0.012 0.012 18 0 "[ . 1 . ]"
1 26 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 28 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 29 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 30 ILE 2.915 0.993 18 1 "[ . 1 . + ]"
1 31 LYS 2.484 0.993 18 1 "[ . 1 . + ]"
1 32 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 33 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 34 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 39 TRP 0.000 0.000 . 0 "[ . 1 . ]"
1 41 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 42 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 43 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 44 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 45 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 47 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 48 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 49 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 50 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 51 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 52 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 53 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 54 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 56 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 57 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 58 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 59 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 60 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 61 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 62 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 64 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 65 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 66 PHE 0.012 0.012 18 0 "[ . 1 . ]"
1 67 VAL 0.012 0.012 18 0 "[ . 1 . ]"
1 68 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 69 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 70 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 71 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 72 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 73 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 74 GLU 4.805 0.400 10 0 "[ . 1 . ]"
1 75 SER 4.805 0.400 10 0 "[ . 1 . ]"
1 76 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 77 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 78 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 79 GLU 0.000 0.000 . 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 GLN HA 1 7 ILE H 50.000 . 3.076 2.264 2.127 2.467 . 0 0 "[ . 1 . ]" 2
2 1 11 GLU H 1 11 GLU HB2 50.000 . 3.753 2.369 2.193 2.545 . 0 0 "[ . 1 . ]" 2
3 1 11 GLU HB2 1 12 LEU H 50.000 . 3.354 2.227 2.052 2.486 . 0 0 "[ . 1 . ]" 2
4 1 13 GLU H 1 13 GLU HB2 50.000 . 3.117 2.565 2.128 3.304 0.187 6 0 "[ . 1 . ]" 2
5 1 12 LEU QD 1 15 MET H 50.000 . 7.041 4.134 3.805 4.430 . 0 0 "[ . 1 . ]" 2
6 1 15 MET HB3 1 16 LYS H 50.000 . 3.007 2.325 2.169 2.455 . 0 0 "[ . 1 . ]" 2
7 1 17 VAL H 1 17 VAL MG2 50.000 . 4.445 2.446 2.265 2.894 . 0 0 "[ . 1 . ]" 2
8 1 17 VAL QG 1 18 ILE H 50.000 . 5.723 2.912 2.689 3.201 . 0 0 "[ . 1 . ]" 2
9 1 24 ILE H 1 24 ILE HG12 50.000 . 4.159 2.561 2.475 2.730 . 0 0 "[ . 1 . ]" 2
10 1 28 GLU H 1 28 GLU HB2 50.000 . 3.297 2.122 2.034 2.317 . 0 0 "[ . 1 . ]" 2
11 1 30 ILE H 1 30 ILE HG12 50.000 . 4.276 3.009 2.819 3.298 . 0 0 "[ . 1 . ]" 2
12 1 30 ILE H 1 30 ILE HB 50.000 . 3.286 2.093 2.031 2.160 . 0 0 "[ . 1 . ]" 2
13 1 30 ILE HG13 1 31 LYS H 50.000 . 4.776 3.839 3.524 4.096 . 0 0 "[ . 1 . ]" 2
14 1 30 ILE HG12 1 31 LYS H 50.000 . 4.749 3.340 3.194 3.483 . 0 0 "[ . 1 . ]" 2
15 1 31 LYS HB2 1 32 GLU H 50.000 . 3.308 2.115 2.017 2.236 . 0 0 "[ . 1 . ]" 2
16 1 32 GLU QB 1 33 LEU H 50.000 . 3.557 2.456 2.253 2.624 . 0 0 "[ . 1 . ]" 2
17 1 33 LEU H 1 33 LEU MD1 50.000 . 4.808 2.783 2.224 3.547 . 0 0 "[ . 1 . ]" 2
18 1 33 LEU MD1 1 34 SER H 50.000 . 5.673 4.244 4.098 4.492 . 0 0 "[ . 1 . ]" 2
19 1 44 ILE H 1 44 ILE HB 50.000 . 3.040 2.214 1.893 2.631 . 0 0 "[ . 1 . ]" 2
20 1 44 ILE H 1 44 ILE MD 50.000 . 4.472 2.690 1.982 3.242 . 0 0 "[ . 1 . ]" 2
21 1 44 ILE HG12 1 45 GLN H 50.000 . 5.027 3.103 2.726 3.363 . 0 0 "[ . 1 . ]" 2
22 1 45 GLN H 1 45 GLN QB 50.000 . 3.172 2.347 2.276 2.421 . 0 0 "[ . 1 . ]" 2
23 1 47 MET H 1 47 MET HB3 50.000 . 3.367 2.917 2.216 3.222 . 0 0 "[ . 1 . ]" 2
24 1 48 LEU H 1 48 LEU HB3 50.000 . 3.545 3.422 2.116 3.539 . 0 0 "[ . 1 . ]" 2
25 1 49 LEU QD 1 50 ARG H 50.000 . 7.492 3.065 2.906 3.260 . 0 0 "[ . 1 . ]" 2
26 1 50 ARG H 1 50 ARG QB 50.000 . 3.469 2.415 2.216 2.648 . 0 0 "[ . 1 . ]" 2
27 1 50 ARG H 1 50 ARG HB2 50.000 . 3.429 2.453 2.238 2.710 . 0 0 "[ . 1 . ]" 2
28 1 50 ARG HB3 1 51 LEU H 50.000 . 3.368 2.228 1.965 2.535 . 0 0 "[ . 1 . ]" 2
29 1 50 ARG HG2 1 51 LEU H 50.000 . 4.282 2.793 2.024 3.564 . 0 0 "[ . 1 . ]" 2
30 1 52 ILE H 1 52 ILE MD 50.000 . 4.745 2.245 2.126 2.375 . 0 0 "[ . 1 . ]" 2
31 1 52 ILE HB 1 53 LYS H 50.000 . 2.924 2.382 2.189 2.592 . 0 0 "[ . 1 . ]" 2
32 1 56 ALA MB 1 57 LEU H 50.000 . 4.349 2.224 1.942 2.516 . 0 0 "[ . 1 . ]" 2
33 1 57 LEU QD 1 58 ASN H 50.000 . 5.292 3.336 2.190 3.722 . 0 0 "[ . 1 . ]" 2
34 1 61 LYS HB3 1 62 GLU H 50.000 . 4.132 2.593 2.254 2.848 . 0 0 "[ . 1 . ]" 2
35 1 59 HIS H 1 60 HIS HA 50.000 . 3.258 2.124 2.065 2.224 . 0 0 "[ . 1 . ]" 2
36 1 70 PRO HB2 1 71 ASN H 50.000 . 3.966 2.461 2.209 2.958 . 0 0 "[ . 1 . ]" 2
37 1 72 ILE HB 1 73 ASP H . . 3.648 2.606 2.241 3.053 . 0 0 "[ . 1 . ]" 2
38 1 78 ILE HA 1 79 GLU H 50.000 . 3.093 2.176 2.121 2.226 . 0 0 "[ . 1 . ]" 2
39 1 78 ILE QG 1 79 GLU H 50.000 . 6.295 3.181 2.526 3.445 . 0 0 "[ . 1 . ]" 2
40 1 79 GLU H 1 79 GLU QB 50.000 . 3.559 2.376 2.181 3.014 . 0 0 "[ . 1 . ]" 2
41 1 15 MET H 1 15 MET HB3 50.000 . 3.473 3.527 3.454 3.590 0.117 11 0 "[ . 1 . ]" 2
42 1 51 LEU H 1 51 LEU HB2 50.000 . 3.979 2.265 1.980 2.569 . 0 0 "[ . 1 . ]" 2
43 1 57 LEU QD 1 69 THR H 50.000 . 6.212 4.036 3.480 4.465 . 0 0 "[ . 1 . ]" 2
44 1 5 PRO HB2 1 5 PRO QD 50.000 . 3.451 3.146 2.521 3.596 0.145 13 0 "[ . 1 . ]" 2
45 1 5 PRO QD 1 5 PRO HG3 50.000 . 2.706 2.243 2.190 2.304 . 0 0 "[ . 1 . ]" 2
46 1 28 GLU H 1 28 GLU HB2 50.000 . 4.155 2.156 2.089 2.229 . 0 0 "[ . 1 . ]" 2
47 1 29 VAL HB 1 30 ILE MG 50.000 . 6.439 5.274 4.643 5.521 . 0 0 "[ . 1 . ]" 2
48 1 41 PRO HA 1 41 PRO HG3 50.000 . 3.008 2.222 2.176 2.262 . 0 0 "[ . 1 . ]" 2
49 1 50 ARG HB2 1 50 ARG HD3 50.000 . 2.883 2.474 2.255 2.873 . 0 0 "[ . 1 . ]" 2
50 1 51 LEU HB3 1 57 LEU QD 50.000 . 5.210 2.402 2.090 2.896 . 0 0 "[ . 1 . ]" 2
51 1 62 GLU QB 1 62 GLU HG2 50.000 . 2.701 2.339 2.174 2.442 . 0 0 "[ . 1 . ]" 2
52 1 64 ARG HB2 1 64 ARG HD3 50.000 . 2.981 2.445 2.172 2.914 . 0 0 "[ . 1 . ]" 2
53 1 10 ALA MB 1 11 GLU H 50.000 . 4.159 2.550 2.335 3.047 . 0 0 "[ . 1 . ]" 2
54 1 11 GLU H 1 11 GLU HG3 . . 3.268 2.403 2.111 2.642 . 0 0 "[ . 1 . ]" 2
55 1 11 GLU H 1 13 GLU HB3 50.000 . 3.767 3.406 2.100 3.632 . 0 0 "[ . 1 . ]" 2
56 1 11 GLU H 1 13 GLU HB2 50.000 . 3.144 2.669 2.379 3.620 0.476 19 0 "[ . 1 . ]" 2
57 1 12 LEU QD 1 15 MET HG2 50.000 . 5.522 4.423 4.242 4.643 . 0 0 "[ . 1 . ]" 2
58 1 12 LEU QD 1 15 MET HG3 50.000 . 4.913 3.374 3.328 3.463 . 0 0 "[ . 1 . ]" 2
59 1 13 GLU HB2 1 14 VAL QG 50.000 . 4.906 2.868 1.964 3.115 . 0 0 "[ . 1 . ]" 2
60 1 14 VAL HA 1 17 VAL MG2 50.000 . 5.139 3.359 2.989 3.721 . 0 0 "[ . 1 . ]" 2
61 1 23 SER QB 1 67 VAL MG1 50.000 . 5.146 2.417 1.960 4.597 . 0 0 "[ . 1 . ]" 2
62 1 25 ASN QB 1 67 VAL MG1 50.000 . 4.630 3.780 2.101 4.642 0.012 18 0 "[ . 1 . ]" 2
63 1 24 ILE MG 1 25 ASN H 50.000 . 5.359 3.059 2.870 3.344 . 0 0 "[ . 1 . ]" 2
64 1 74 GLU H 1 74 GLU HB3 50.000 . 2.822 3.036 2.338 3.222 0.400 10 0 "[ . 1 . ]" 2
65 1 74 GLU H 1 74 GLU HB2 50.000 . 3.092 2.258 2.070 3.214 0.122 5 0 "[ . 1 . ]" 2
66 1 18 ILE MG 1 23 SER HA 50.000 . 4.866 3.175 2.717 3.713 . 0 0 "[ . 1 . ]" 2
67 1 18 ILE MG 1 70 PRO HB2 50.000 . 4.134 2.231 1.962 2.945 . 0 0 "[ . 1 . ]" 2
68 1 26 THR MG 1 29 VAL HB 50.000 . 5.288 3.893 3.669 3.986 . 0 0 "[ . 1 . ]" 2
69 1 41 PRO HA 1 41 PRO HG2 50.000 . 2.872 2.660 2.642 2.707 . 0 0 "[ . 1 . ]" 2
70 1 33 LEU HG 1 39 TRP HB3 50.000 . 4.880 2.280 2.178 2.437 . 0 0 "[ . 1 . ]" 2
71 1 49 LEU QD 1 50 ARG HG2 50.000 . 4.966 3.126 2.663 4.351 . 0 0 "[ . 1 . ]" 2
72 1 17 VAL MG1 1 20 LYS QG 50.000 . 6.292 4.026 3.648 4.247 . 0 0 "[ . 1 . ]" 2
73 1 21 HIS HB3 1 24 ILE MD 50.000 . 4.297 2.346 2.191 2.573 . 0 0 "[ . 1 . ]" 2
74 1 29 VAL MG2 1 33 LEU QB 50.000 . 5.948 4.019 3.746 4.336 . 0 0 "[ . 1 . ]" 2
75 1 41 PRO HA 1 41 PRO HG3 50.000 . 4.332 2.770 2.638 2.985 . 0 0 "[ . 1 . ]" 2
76 1 5 PRO HA 1 5 PRO HD2 50.000 . 4.332 3.682 3.562 3.793 . 0 0 "[ . 1 . ]" 2
77 1 9 ASP HA 1 9 ASP QB 50.000 . 2.576 2.298 2.149 2.319 . 0 0 "[ . 1 . ]" 2
78 1 15 MET HA 1 15 MET HG3 50.000 . 3.731 3.050 2.414 3.416 . 0 0 "[ . 1 . ]" 2
79 1 30 ILE HA 1 30 ILE HB 50.000 . 2.756 2.735 2.583 2.824 0.068 6 0 "[ . 1 . ]" 2
80 1 30 ILE HB 1 31 LYS HA 50.000 . 2.547 2.466 2.165 3.540 0.993 18 1 "[ . 1 . + ]" 2
81 1 33 LEU HA 1 33 LEU MD1 50.000 . 3.933 2.080 1.989 2.221 . 0 0 "[ . 1 . ]" 2
82 1 44 ILE HA 1 44 ILE MD 50.000 . 3.809 2.344 2.107 2.583 . 0 0 "[ . 1 . ]" 2
83 1 48 LEU HA 1 48 LEU MD1 50.000 . 4.509 2.706 2.065 3.136 . 0 0 "[ . 1 . ]" 2
84 1 57 LEU HA 1 57 LEU QD 50.000 . 3.811 2.243 2.046 2.472 . 0 0 "[ . 1 . ]" 2
85 1 62 GLU HA 1 62 GLU QG 50.000 . 2.998 2.526 2.301 2.749 . 0 0 "[ . 1 . ]" 2
86 1 64 ARG HB2 1 64 ARG HD3 50.000 . 2.987 2.524 2.119 2.944 . 0 0 "[ . 1 . ]" 2
87 1 79 GLU HA 1 79 GLU QG 50.000 . 3.522 2.485 2.262 3.214 . 0 0 "[ . 1 . ]" 2
88 1 52 ILE HA 1 56 ALA MB 50.000 . 4.697 3.188 2.699 3.537 . 0 0 "[ . 1 . ]" 2
89 1 57 LEU QD 1 70 PRO HA 50.000 . 3.759 2.063 1.911 2.279 . 0 0 "[ . 1 . ]" 2
90 1 44 ILE HB 1 45 GLN HA 50.000 . 4.264 2.558 2.324 3.499 . 0 0 "[ . 1 . ]" 2
91 1 18 ILE H 1 19 TRP HA 50.000 . 2.754 2.275 2.157 2.451 . 0 0 "[ . 1 . ]" 2
92 1 6 GLN HA 1 55 GLY HA3 50.000 . 5.746 4.310 2.970 4.921 . 0 0 "[ . 1 . ]" 2
93 1 9 ASP HA 1 12 LEU QD 50.000 . 6.269 3.587 2.917 4.655 . 0 0 "[ . 1 . ]" 2
94 1 18 ILE HA 1 24 ILE MG 50.000 . 4.430 2.650 2.244 3.182 . 0 0 "[ . 1 . ]" 2
95 1 12 LEU QD 1 19 TRP HH2 50.000 . 5.644 3.355 2.424 3.968 . 0 0 "[ . 1 . ]" 2
96 1 12 LEU QD 1 19 TRP HZ3 50.000 . 5.262 2.273 2.063 2.623 . 0 0 "[ . 1 . ]" 2
97 1 13 GLU HG3 1 39 TRP HZ2 50.000 . 4.888 4.033 3.365 4.744 . 0 0 "[ . 1 . ]" 2
98 1 48 LEU MD1 1 68 TYR QD 50.000 . 7.352 3.826 2.752 4.206 . 0 0 "[ . 1 . ]" 2
99 1 29 VAL QG 1 68 TYR QE 50.000 . 8.171 2.331 2.129 2.512 . 0 0 "[ . 1 . ]" 2
100 1 29 VAL MG1 1 68 TYR QE 50.000 . 6.729 2.363 2.159 2.556 . 0 0 "[ . 1 . ]" 2
101 1 48 LEU HB2 1 68 TYR QD 50.000 . 6.398 4.724 3.950 5.011 . 0 0 "[ . 1 . ]" 2
102 1 7 ILE QG 1 77 TYR QD 50.000 . 6.911 3.416 2.299 4.988 . 0 0 "[ . 1 . ]" 2
103 1 7 ILE QG 1 77 TYR QE 50.000 . 5.804 3.993 3.378 4.367 . 0 0 "[ . 1 . ]" 2
104 1 10 ALA HA 1 39 TRP HH2 50.000 . 3.865 2.772 2.212 3.252 . 0 0 "[ . 1 . ]" 2
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