NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
402024 |
1wcn   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wcn
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 727
_Distance_constraint_stats_list.Viol_count 1384
_Distance_constraint_stats_list.Viol_total 752.503
_Distance_constraint_stats_list.Viol_max 0.603
_Distance_constraint_stats_list.Viol_rms 0.0147
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0029
_Distance_constraint_stats_list.Viol_average_violations_only 0.0286
_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 1 GLY 0.001 0.001 18 0 "[ . 1 . ]"
1 2 ASP 0.001 0.001 18 0 "[ . 1 . ]"
1 3 ASN 0.069 0.031 19 0 "[ . 1 . ]"
1 4 LYS 0.571 0.051 9 0 "[ . 1 . ]"
1 5 PRO 0.123 0.025 12 0 "[ . 1 . ]"
1 6 ALA 1.266 0.082 13 0 "[ . 1 . ]"
1 7 ASP 3.346 0.413 1 0 "[ . 1 . ]"
1 8 ASP 2.020 0.057 4 0 "[ . 1 . ]"
1 9 LEU 3.928 0.603 12 1 "[ . 1 + . ]"
1 10 LEU 5.740 0.413 1 0 "[ . 1 . ]"
1 11 ASN 2.972 0.062 14 0 "[ . 1 . ]"
1 12 LEU 0.504 0.062 14 0 "[ . 1 . ]"
1 13 GLU 0.704 0.105 19 0 "[ . 1 . ]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 15 VAL 1.659 0.105 19 0 "[ . 1 . ]"
1 16 ASP 0.400 0.038 10 0 "[ . 1 . ]"
1 17 ARG 1.782 0.082 9 0 "[ . 1 . ]"
1 18 ASP 1.605 0.082 9 0 "[ . 1 . ]"
1 19 LEU 1.370 0.061 2 0 "[ . 1 . ]"
1 20 ALA 0.913 0.047 1 0 "[ . 1 . ]"
1 21 PHE 1.050 0.047 1 0 "[ . 1 . ]"
1 22 LYS 0.332 0.042 19 0 "[ . 1 . ]"
1 23 LEU 0.068 0.019 9 0 "[ . 1 . ]"
1 24 ALA 1.436 0.051 9 0 "[ . 1 . ]"
1 25 ALA 0.645 0.039 18 0 "[ . 1 . ]"
1 26 ARG 0.035 0.017 8 0 "[ . 1 . ]"
1 27 GLY 0.089 0.027 7 0 "[ . 1 . ]"
1 28 VAL 0.517 0.040 18 0 "[ . 1 . ]"
1 29 CYS 0.749 0.117 13 0 "[ . 1 . ]"
1 30 THR 1.042 0.117 13 0 "[ . 1 . ]"
1 31 LEU 1.830 0.085 12 0 "[ . 1 . ]"
1 32 GLU 1.066 0.062 6 0 "[ . 1 . ]"
1 33 ASP 1.834 0.062 6 0 "[ . 1 . ]"
1 34 LEU 0.067 0.018 12 0 "[ . 1 . ]"
1 35 ALA 0.485 0.041 12 0 "[ . 1 . ]"
1 36 GLU 0.538 0.519 13 1 "[ . 1 + . ]"
1 37 GLN 1.516 0.079 17 0 "[ . 1 . ]"
1 38 GLY 1.104 0.079 17 0 "[ . 1 . ]"
1 39 ILE 1.380 0.099 10 0 "[ . 1 . ]"
1 40 ASP 1.871 0.049 8 0 "[ . 1 . ]"
1 41 ASP 0.722 0.042 4 0 "[ . 1 . ]"
1 42 LEU 0.253 0.099 10 0 "[ . 1 . ]"
1 43 ALA 0.392 0.030 3 0 "[ . 1 . ]"
1 44 ASP 0.422 0.030 3 0 "[ . 1 . ]"
1 45 ILE 0.930 0.053 18 0 "[ . 1 . ]"
1 46 GLU 0.740 0.053 18 0 "[ . 1 . ]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 48 LEU 0.131 0.029 4 0 "[ . 1 . ]"
1 49 THR 0.095 0.028 18 0 "[ . 1 . ]"
1 50 ASP 0.146 0.024 17 0 "[ . 1 . ]"
1 51 GLU 0.131 0.039 2 0 "[ . 1 . ]"
1 52 LYS 0.988 0.055 19 0 "[ . 1 . ]"
1 53 ALA 1.506 0.055 19 0 "[ . 1 . ]"
1 54 GLY 1.464 0.082 12 0 "[ . 1 . ]"
1 55 ALA 1.286 0.060 12 0 "[ . 1 . ]"
1 56 LEU 1.945 0.603 12 1 "[ . 1 + . ]"
1 57 ILE 1.147 0.052 5 0 "[ . 1 . ]"
1 58 MET 2.981 0.082 12 0 "[ . 1 . ]"
1 59 ALA 1.400 0.055 7 0 "[ . 1 . ]"
1 60 ALA 2.364 0.085 12 0 "[ . 1 . ]"
1 61 ARG 1.885 0.054 7 0 "[ . 1 . ]"
1 62 ASN 1.880 0.055 7 0 "[ . 1 . ]"
1 63 ILE 2.424 0.144 12 0 "[ . 1 . ]"
1 64 CYS 2.025 0.144 12 0 "[ . 1 . ]"
1 65 TRP 2.048 0.519 13 1 "[ . 1 + . ]"
1 66 PHE 1.799 0.064 8 0 "[ . 1 . ]"
1 67 GLY 1.548 0.064 8 0 "[ . 1 . ]"
1 68 ASP 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 1 GLY QA 1 2 ASP H 0.000 . 2.700 2.375 2.160 2.701 0.001 18 0 "[ . 1 . ]" 1
2 1 1 GLY QA 1 3 ASN H 0.000 . 3.500 3.317 2.893 3.498 . 0 0 "[ . 1 . ]" 1
3 1 2 ASP H 1 3 ASN H 0.000 . 5.000 2.726 2.520 2.826 . 0 0 "[ . 1 . ]" 1
4 1 3 ASN H 1 4 LYS H 0.000 . 5.000 3.874 2.587 4.665 . 0 0 "[ . 1 . ]" 1
5 1 3 ASN QB 1 24 ALA MB 0.000 . 3.500 3.109 2.528 3.531 0.031 19 0 "[ . 1 . ]" 1
6 1 3 ASN HD21 1 27 GLY H 0.000 . 5.000 3.046 2.176 3.846 . 0 0 "[ . 1 . ]" 1
7 1 3 ASN HD21 1 27 GLY HA2 0.000 . 5.000 4.508 4.064 4.973 . 0 0 "[ . 1 . ]" 1
8 1 3 ASN HD21 1 27 GLY HA3 0.000 . 5.000 3.027 2.442 3.784 . 0 0 "[ . 1 . ]" 1
9 1 3 ASN HD22 1 27 GLY H 0.000 . 5.000 4.242 3.354 4.930 . 0 0 "[ . 1 . ]" 1
10 1 3 ASN HD22 1 27 GLY HA2 0.000 . 5.000 4.907 4.312 5.009 0.009 11 0 "[ . 1 . ]" 1
11 1 3 ASN HD22 1 27 GLY HA3 0.000 . 5.000 3.507 2.686 3.756 . 0 0 "[ . 1 . ]" 1
12 1 4 LYS HA 1 5 PRO HD2 0.000 . 2.700 2.331 2.159 2.490 . 0 0 "[ . 1 . ]" 1
13 1 4 LYS HA 1 5 PRO HD3 0.000 . 3.500 2.240 1.885 2.341 . 0 0 "[ . 1 . ]" 1
14 1 4 LYS HA 1 24 ALA MB 0.000 . 2.700 2.730 2.702 2.751 0.051 9 0 "[ . 1 . ]" 1
15 1 4 LYS HB2 1 5 PRO HD2 0.000 . 5.000 3.749 2.145 4.491 . 0 0 "[ . 1 . ]" 1
16 1 4 LYS HB2 1 5 PRO HD3 0.000 . 5.000 4.643 3.506 4.999 . 0 0 "[ . 1 . ]" 1
17 1 4 LYS HB3 1 5 PRO HD2 0.000 . 5.000 3.035 2.168 4.055 . 0 0 "[ . 1 . ]" 1
18 1 4 LYS HB3 1 5 PRO HD3 0.000 . 5.000 4.152 3.407 4.906 . 0 0 "[ . 1 . ]" 1
19 1 4 LYS QG 1 5 PRO HD2 0.000 . 5.000 2.690 1.760 4.036 . 0 0 "[ . 1 . ]" 1
20 1 4 LYS QG 1 5 PRO HD3 0.000 . 5.000 3.603 2.792 4.709 . 0 0 "[ . 1 . ]" 1
21 1 5 PRO HA 1 6 ALA H 0.000 . 3.500 2.249 2.220 2.324 . 0 0 "[ . 1 . ]" 1
22 1 5 PRO HA 1 6 ALA MB 0.000 . 5.000 4.061 4.012 4.107 . 0 0 "[ . 1 . ]" 1
23 1 5 PRO HA 1 20 ALA MB 0.000 . 5.000 4.222 3.670 4.933 . 0 0 "[ . 1 . ]" 1
24 1 5 PRO HA 1 23 LEU QD 0.000 . 5.000 3.986 3.435 4.732 . 0 0 "[ . 1 . ]" 1
25 1 5 PRO HA 1 24 ALA MB 0.000 . 5.000 2.159 1.879 2.436 . 0 0 "[ . 1 . ]" 1
26 1 5 PRO HA 1 29 CYS HA 0.000 . 5.000 2.340 2.090 2.597 . 0 0 "[ . 1 . ]" 1
27 1 5 PRO HA 1 29 CYS HB2 0.000 . 5.000 4.576 2.021 5.017 0.017 5 0 "[ . 1 . ]" 1
28 1 5 PRO HB2 1 6 ALA H 0.000 . 5.000 3.223 2.901 3.399 . 0 0 "[ . 1 . ]" 1
29 1 5 PRO HB2 1 20 ALA MB 0.000 . 5.000 2.176 1.854 2.995 . 0 0 "[ . 1 . ]" 1
30 1 5 PRO HB2 1 23 LEU QD 0.000 . 5.000 4.367 4.059 4.600 . 0 0 "[ . 1 . ]" 1
31 1 5 PRO HB2 1 24 ALA MB 0.000 . 3.500 3.456 3.309 3.525 0.025 12 0 "[ . 1 . ]" 1
32 1 5 PRO HB3 1 6 ALA H 0.000 . 5.000 3.835 3.641 3.944 . 0 0 "[ . 1 . ]" 1
33 1 5 PRO HB3 1 20 ALA MB 0.000 . 5.000 2.423 1.958 3.276 . 0 0 "[ . 1 . ]" 1
34 1 5 PRO HB3 1 23 LEU QD 0.000 . 5.000 3.543 3.114 3.856 . 0 0 "[ . 1 . ]" 1
35 1 5 PRO HB3 1 24 ALA MB 0.000 . 3.500 2.062 1.901 2.198 . 0 0 "[ . 1 . ]" 1
36 1 5 PRO HD2 1 10 LEU QD 0.000 . 5.000 3.403 3.037 3.723 . 0 0 "[ . 1 . ]" 1
37 1 5 PRO HD2 1 20 ALA MB 0.000 . 5.000 4.006 3.664 4.221 . 0 0 "[ . 1 . ]" 1
38 1 5 PRO HD2 1 21 PHE HA 0.000 . 5.000 4.273 3.852 4.656 . 0 0 "[ . 1 . ]" 1
39 1 5 PRO HD2 1 21 PHE QD 0.000 . 5.000 4.009 3.116 4.760 . 0 0 "[ . 1 . ]" 1
40 1 5 PRO HD2 1 21 PHE QE 0.000 . 5.000 3.565 2.647 4.335 . 0 0 "[ . 1 . ]" 1
41 1 5 PRO HD2 1 21 PHE HZ 0.000 . 5.000 4.724 4.350 5.001 0.001 19 0 "[ . 1 . ]" 1
42 1 5 PRO HD2 1 24 ALA MB 0.000 . 3.500 3.345 3.150 3.506 0.006 7 0 "[ . 1 . ]" 1
43 1 5 PRO HD3 1 10 LEU QD 0.000 . 5.000 4.021 3.790 4.262 . 0 0 "[ . 1 . ]" 1
44 1 5 PRO HD3 1 21 PHE HA 0.000 . 5.000 2.763 2.451 3.067 . 0 0 "[ . 1 . ]" 1
45 1 5 PRO HD3 1 24 ALA MB 0.000 . 3.500 2.095 1.825 2.400 . 0 0 "[ . 1 . ]" 1
46 1 6 ALA H 1 7 ASP H 0.000 . 5.000 4.658 4.648 4.666 . 0 0 "[ . 1 . ]" 1
47 1 6 ALA H 1 8 ASP H 0.000 . 5.000 5.037 5.022 5.057 0.057 4 0 "[ . 1 . ]" 1
48 1 6 ALA H 1 9 LEU H 0.000 . 5.000 3.811 3.637 4.036 . 0 0 "[ . 1 . ]" 1
49 1 6 ALA H 1 9 LEU HB2 0.000 . 5.000 3.235 2.358 3.765 . 0 0 "[ . 1 . ]" 1
50 1 6 ALA H 1 9 LEU HB3 0.000 . 5.000 3.363 2.955 4.011 . 0 0 "[ . 1 . ]" 1
51 1 6 ALA H 1 10 LEU H 0.000 . 5.000 4.356 4.012 4.806 . 0 0 "[ . 1 . ]" 1
52 1 6 ALA H 1 12 LEU QD 0.000 . 5.000 4.482 4.113 4.802 . 0 0 "[ . 1 . ]" 1
53 1 6 ALA H 1 24 ALA MB 0.000 . 5.000 4.123 3.851 4.416 . 0 0 "[ . 1 . ]" 1
54 1 6 ALA H 1 29 CYS HA 0.000 . 3.500 3.514 3.471 3.582 0.082 13 0 "[ . 1 . ]" 1
55 1 6 ALA H 1 29 CYS HB2 0.000 . 5.000 4.796 2.735 5.052 0.052 14 0 "[ . 1 . ]" 1
56 1 6 ALA H 1 29 CYS HB3 0.000 . 5.000 4.106 3.340 4.537 . 0 0 "[ . 1 . ]" 1
57 1 6 ALA H 1 30 THR HA 0.000 . 3.500 2.791 2.519 3.022 . 0 0 "[ . 1 . ]" 1
58 1 6 ALA H 1 30 THR MG 0.000 . 5.000 3.801 3.329 4.188 . 0 0 "[ . 1 . ]" 1
59 1 6 ALA HA 1 7 ASP H 0.000 . 3.500 2.349 2.299 2.406 . 0 0 "[ . 1 . ]" 1
60 1 6 ALA HA 1 7 ASP QB 0.000 . 5.000 4.612 4.567 4.674 . 0 0 "[ . 1 . ]" 1
61 1 6 ALA HA 1 8 ASP H 0.000 . 5.000 4.187 4.069 4.327 . 0 0 "[ . 1 . ]" 1
62 1 6 ALA HA 1 9 LEU H 0.000 . 5.000 4.622 4.464 4.760 . 0 0 "[ . 1 . ]" 1
63 1 6 ALA HA 1 30 THR MG 0.000 . 5.000 3.982 3.679 4.409 . 0 0 "[ . 1 . ]" 1
64 1 6 ALA MB 1 7 ASP H 0.000 . 3.500 2.656 2.541 2.747 . 0 0 "[ . 1 . ]" 1
65 1 6 ALA MB 1 7 ASP QB 0.000 . 5.000 3.994 3.893 4.494 . 0 0 "[ . 1 . ]" 1
66 1 6 ALA MB 1 8 ASP H 0.000 . 5.000 2.605 2.428 2.716 . 0 0 "[ . 1 . ]" 1
67 1 6 ALA MB 1 9 LEU H 0.000 . 3.500 2.742 2.556 2.930 . 0 0 "[ . 1 . ]" 1
68 1 6 ALA MB 1 10 LEU QD 0.000 . 5.000 4.123 3.561 4.530 . 0 0 "[ . 1 . ]" 1
69 1 6 ALA MB 1 30 THR H 0.000 . 5.000 4.126 3.947 4.487 . 0 0 "[ . 1 . ]" 1
70 1 6 ALA MB 1 30 THR HA 0.000 . 3.500 1.820 1.709 2.040 . 0 0 "[ . 1 . ]" 1
71 1 6 ALA MB 1 30 THR HB 0.000 . 5.000 3.402 3.123 3.914 . 0 0 "[ . 1 . ]" 1
72 1 6 ALA MB 1 30 THR MG 0.000 . 2.700 1.877 1.677 2.289 . 0 0 "[ . 1 . ]" 1
73 1 6 ALA O 1 9 LEU H 0.000 . 2.300 2.114 1.973 2.227 . 0 0 "[ . 1 . ]" 1
74 1 6 ALA O 1 9 LEU N 0.000 . 3.300 2.781 2.696 2.926 . 0 0 "[ . 1 . ]" 1
75 1 6 ALA O 1 10 LEU H 0.000 . 2.300 1.866 1.623 2.162 . 0 0 "[ . 1 . ]" 1
76 1 6 ALA O 1 10 LEU N 0.000 . 3.300 2.832 2.602 3.132 . 0 0 "[ . 1 . ]" 1
77 1 7 ASP H 1 8 ASP H 0.000 . 3.500 2.818 2.776 2.858 . 0 0 "[ . 1 . ]" 1
78 1 7 ASP H 1 9 LEU H 0.000 . 5.000 4.386 4.235 4.495 . 0 0 "[ . 1 . ]" 1
79 1 7 ASP H 1 11 ASN HD21 0.000 . 5.000 4.854 4.756 4.976 . 0 0 "[ . 1 . ]" 1
80 1 7 ASP H 1 11 ASN HD22 0.000 . 5.000 5.029 5.011 5.043 0.043 18 0 "[ . 1 . ]" 1
81 1 7 ASP HA 1 8 ASP H 0.000 . 5.000 3.542 3.526 3.563 . 0 0 "[ . 1 . ]" 1
82 1 7 ASP HA 1 10 LEU H 0.000 . 3.500 3.289 3.089 3.438 . 0 0 "[ . 1 . ]" 1
83 1 7 ASP HA 1 10 LEU HB2 0.000 . 5.000 2.492 2.138 2.951 . 0 0 "[ . 1 . ]" 1
84 1 7 ASP HA 1 10 LEU HB3 0.000 . 3.500 3.164 2.349 3.913 0.413 1 0 "[ . 1 . ]" 1
85 1 7 ASP HA 1 10 LEU QD 0.000 . 3.500 2.820 2.100 3.403 . 0 0 "[ . 1 . ]" 1
86 1 7 ASP HA 1 10 LEU HG 0.000 . 5.000 4.557 3.966 4.984 . 0 0 "[ . 1 . ]" 1
87 1 7 ASP QB 1 8 ASP H 0.000 . 3.500 2.745 2.632 3.475 . 0 0 "[ . 1 . ]" 1
88 1 7 ASP QB 1 10 LEU QD 0.000 . 5.000 4.324 3.571 4.799 . 0 0 "[ . 1 . ]" 1
89 1 7 ASP QB 1 11 ASN HD21 0.000 . 5.000 2.016 1.908 2.152 . 0 0 "[ . 1 . ]" 1
90 1 7 ASP QB 1 11 ASN HD22 0.000 . 3.500 1.876 1.802 2.038 . 0 0 "[ . 1 . ]" 1
91 1 7 ASP O 1 11 ASN H 0.000 . 2.300 1.710 1.638 1.802 . 0 0 "[ . 1 . ]" 1
92 1 7 ASP O 1 11 ASN N 0.000 . 3.300 2.648 2.563 2.729 . 0 0 "[ . 1 . ]" 1
93 1 8 ASP H 1 9 LEU H 0.000 . 2.700 2.706 2.625 2.728 0.028 5 0 "[ . 1 . ]" 1
94 1 8 ASP H 1 10 LEU H 0.000 . 5.000 4.155 3.959 4.316 . 0 0 "[ . 1 . ]" 1
95 1 8 ASP HA 1 9 LEU H 0.000 . 5.000 3.544 3.524 3.557 . 0 0 "[ . 1 . ]" 1
96 1 8 ASP HA 1 11 ASN HB2 0.000 . 5.000 3.254 3.079 3.356 . 0 0 "[ . 1 . ]" 1
97 1 8 ASP HA 1 11 ASN HB3 0.000 . 5.000 4.958 4.753 5.039 0.039 7 0 "[ . 1 . ]" 1
98 1 8 ASP HA 1 11 ASN HD21 0.000 . 5.000 3.344 3.188 3.376 . 0 0 "[ . 1 . ]" 1
99 1 8 ASP HA 1 11 ASN HD22 0.000 . 5.000 5.005 4.832 5.031 0.031 19 0 "[ . 1 . ]" 1
100 1 8 ASP HB2 1 9 LEU H 0.000 . 5.000 2.594 2.511 2.759 . 0 0 "[ . 1 . ]" 1
101 1 8 ASP HB2 1 31 LEU MD2 0.000 . 3.500 3.523 3.507 3.541 0.041 11 0 "[ . 1 . ]" 1
102 1 8 ASP HB3 1 9 LEU H 0.000 . 5.000 3.677 3.575 3.886 . 0 0 "[ . 1 . ]" 1
103 1 8 ASP HB3 1 31 LEU MD2 0.000 . 3.500 2.404 2.211 2.605 . 0 0 "[ . 1 . ]" 1
104 1 9 LEU H 1 10 LEU H 0.000 . 3.500 2.499 2.374 2.617 . 0 0 "[ . 1 . ]" 1
105 1 9 LEU HA 1 10 LEU H 0.000 . 3.500 3.542 3.518 3.555 0.055 18 0 "[ . 1 . ]" 1
106 1 9 LEU HA 1 31 LEU MD2 0.000 . 5.000 4.660 4.353 5.042 0.042 9 0 "[ . 1 . ]" 1
107 1 9 LEU HA 1 34 LEU QD 0.000 . 5.000 3.919 3.573 4.450 . 0 0 "[ . 1 . ]" 1
108 1 9 LEU HB2 1 10 LEU H 0.000 . 3.500 3.427 2.754 3.590 0.090 19 0 "[ . 1 . ]" 1
109 1 9 LEU HB2 1 30 THR HA 0.000 . 5.000 3.782 3.179 4.229 . 0 0 "[ . 1 . ]" 1
110 1 9 LEU HB3 1 10 LEU H 0.000 . 3.500 2.575 2.256 3.540 0.040 4 0 "[ . 1 . ]" 1
111 1 9 LEU HB3 1 30 THR HA 0.000 . 5.000 4.871 4.387 5.041 0.041 19 0 "[ . 1 . ]" 1
112 1 9 LEU MD1 1 34 LEU QD 0.000 . 5.000 3.141 1.736 4.269 . 0 0 "[ . 1 . ]" 1
113 1 9 LEU MD2 1 34 LEU QD 0.000 . 5.000 2.903 1.839 4.025 . 0 0 "[ . 1 . ]" 1
114 1 9 LEU MD2 1 56 LEU QD 0.000 . 5.000 4.679 3.622 5.603 0.603 12 1 "[ . 1 + . ]" 1
115 1 10 LEU H 1 11 ASN H 0.000 . 3.500 2.739 2.539 2.899 . 0 0 "[ . 1 . ]" 1
116 1 10 LEU H 1 12 LEU H 0.000 . 5.000 3.811 3.690 3.888 . 0 0 "[ . 1 . ]" 1
117 1 10 LEU HA 1 11 ASN H 0.000 . 3.500 3.548 3.532 3.559 0.059 17 0 "[ . 1 . ]" 1
118 1 10 LEU HA 1 12 LEU H 0.000 . 5.000 3.806 3.677 3.990 . 0 0 "[ . 1 . ]" 1
119 1 10 LEU HA 1 15 VAL HB 0.000 . 5.000 4.328 4.038 4.768 . 0 0 "[ . 1 . ]" 1
120 1 10 LEU HA 1 15 VAL MG1 0.000 . 5.000 3.204 2.775 3.833 . 0 0 "[ . 1 . ]" 1
121 1 10 LEU HA 1 20 ALA MB 0.000 . 3.500 2.428 1.951 2.941 . 0 0 "[ . 1 . ]" 1
122 1 10 LEU HB2 1 11 ASN H 0.000 . 3.500 3.061 2.576 3.518 0.018 10 0 "[ . 1 . ]" 1
123 1 10 LEU HB2 1 11 ASN HD21 0.000 . 5.000 4.435 3.785 5.030 0.030 18 0 "[ . 1 . ]" 1
124 1 10 LEU HB3 1 11 ASN H 0.000 . 3.500 2.996 2.342 3.509 0.009 1 0 "[ . 1 . ]" 1
125 1 10 LEU HB3 1 11 ASN HD21 0.000 . 5.000 4.449 3.708 5.023 0.023 15 0 "[ . 1 . ]" 1
126 1 10 LEU QD 1 11 ASN H 0.000 . 5.000 3.971 3.635 4.145 . 0 0 "[ . 1 . ]" 1
127 1 10 LEU QD 1 17 ARG H 0.000 . 5.000 3.446 3.217 3.881 . 0 0 "[ . 1 . ]" 1
128 1 10 LEU QD 1 17 ARG HA 0.000 . 2.700 2.009 1.715 2.666 . 0 0 "[ . 1 . ]" 1
129 1 10 LEU QD 1 20 ALA MB 0.000 . 2.700 1.709 1.550 2.008 . 0 0 "[ . 1 . ]" 1
130 1 10 LEU QD 1 21 PHE QD 0.000 . 5.000 4.130 3.437 4.697 . 0 0 "[ . 1 . ]" 1
131 1 10 LEU QD 1 21 PHE QE 0.000 . 5.000 3.537 2.848 4.386 . 0 0 "[ . 1 . ]" 1
132 1 10 LEU QD 1 21 PHE HZ 0.000 . 5.000 4.046 3.513 4.801 . 0 0 "[ . 1 . ]" 1
133 1 11 ASN H 1 12 LEU H 0.000 . 2.700 2.520 2.433 2.634 . 0 0 "[ . 1 . ]" 1
134 1 11 ASN HA 1 12 LEU H 0.000 . 3.500 3.303 3.266 3.368 . 0 0 "[ . 1 . ]" 1
135 1 11 ASN HB2 1 12 LEU H 0.000 . 3.500 3.520 3.409 3.562 0.062 14 0 "[ . 1 . ]" 1
136 1 11 ASN HB3 1 12 LEU H 0.000 . 5.000 4.324 4.275 4.349 . 0 0 "[ . 1 . ]" 1
137 1 12 LEU H 1 13 GLU H 0.000 . 5.000 4.559 4.480 4.657 . 0 0 "[ . 1 . ]" 1
138 1 12 LEU H 1 35 ALA MB 0.000 . 5.000 3.431 2.978 3.713 . 0 0 "[ . 1 . ]" 1
139 1 12 LEU HA 1 13 GLU H 0.000 . 2.700 2.190 2.175 2.245 . 0 0 "[ . 1 . ]" 1
140 1 12 LEU HB2 1 13 GLU H 0.000 . 5.000 4.371 4.178 4.542 . 0 0 "[ . 1 . ]" 1
141 1 12 LEU HB2 1 15 VAL HB 0.000 . 5.000 3.571 2.700 4.747 . 0 0 "[ . 1 . ]" 1
142 1 12 LEU HB3 1 13 GLU H 0.000 . 5.000 4.128 3.936 4.265 . 0 0 "[ . 1 . ]" 1
143 1 12 LEU HB3 1 15 VAL HB 0.000 . 5.000 2.092 1.718 3.022 . 0 0 "[ . 1 . ]" 1
144 1 12 LEU QD 1 13 GLU H 0.000 . 5.000 2.331 1.904 2.958 . 0 0 "[ . 1 . ]" 1
145 1 12 LEU QD 1 56 LEU HA 0.000 . 5.000 3.561 2.787 4.316 . 0 0 "[ . 1 . ]" 1
146 1 12 LEU QD 1 60 ALA HA 0.000 . 3.500 2.851 2.231 3.392 . 0 0 "[ . 1 . ]" 1
147 1 12 LEU QD 1 60 ALA MB 0.000 . 5.000 2.422 1.874 3.184 . 0 0 "[ . 1 . ]" 1
148 1 12 LEU QD 1 63 ILE MD 0.000 . 5.000 2.251 1.757 2.941 . 0 0 "[ . 1 . ]" 1
149 1 12 LEU HG 1 13 GLU H 0.000 . 5.000 3.157 2.663 4.793 . 0 0 "[ . 1 . ]" 1
150 1 13 GLU H 1 14 GLY H 0.000 . 5.000 3.215 2.656 4.644 . 0 0 "[ . 1 . ]" 1
151 1 13 GLU HA 1 14 GLY H 0.000 . 5.000 3.159 2.209 3.516 . 0 0 "[ . 1 . ]" 1
152 1 13 GLU HA 1 15 VAL H 0.000 . 5.000 3.784 3.243 4.115 . 0 0 "[ . 1 . ]" 1
153 1 13 GLU HB2 1 14 GLY H 0.000 . 5.000 3.885 2.857 4.280 . 0 0 "[ . 1 . ]" 1
154 1 13 GLU HB3 1 14 GLY H 0.000 . 5.000 3.438 2.926 4.126 . 0 0 "[ . 1 . ]" 1
155 1 13 GLU QG 1 14 GLY H 0.000 . 5.000 3.609 2.492 3.989 . 0 0 "[ . 1 . ]" 1
156 1 13 GLU QG 1 15 VAL H 0.000 . 5.000 4.932 4.485 5.105 0.105 19 0 "[ . 1 . ]" 1
157 1 14 GLY H 1 15 VAL H 0.000 . 2.700 2.414 2.288 2.582 . 0 0 "[ . 1 . ]" 1
158 1 14 GLY HA2 1 15 VAL H 0.000 . 3.500 3.138 3.003 3.315 . 0 0 "[ . 1 . ]" 1
159 1 14 GLY HA2 1 56 LEU QD 0.000 . 3.500 2.087 1.689 2.743 . 0 0 "[ . 1 . ]" 1
160 1 14 GLY HA3 1 15 VAL H 0.000 . 3.500 3.416 3.271 3.485 . 0 0 "[ . 1 . ]" 1
161 1 14 GLY HA3 1 56 LEU QD 0.000 . 3.500 2.847 2.344 3.099 . 0 0 "[ . 1 . ]" 1
162 1 15 VAL H 1 16 ASP H 0.000 . 5.000 4.264 4.170 4.429 . 0 0 "[ . 1 . ]" 1
163 1 15 VAL H 1 19 LEU QD 0.000 . 5.000 4.440 4.190 4.696 . 0 0 "[ . 1 . ]" 1
164 1 15 VAL HA 1 16 ASP H 0.000 . 2.700 2.182 2.172 2.197 . 0 0 "[ . 1 . ]" 1
165 1 15 VAL HA 1 17 ARG H 0.000 . 5.000 4.776 4.568 4.976 . 0 0 "[ . 1 . ]" 1
166 1 15 VAL HA 1 19 LEU H 0.000 . 5.000 5.041 5.013 5.061 0.061 2 0 "[ . 1 . ]" 1
167 1 15 VAL HA 1 19 LEU HB3 0.000 . 3.500 2.709 2.464 3.380 . 0 0 "[ . 1 . ]" 1
168 1 15 VAL HA 1 19 LEU QD 0.000 . 3.500 2.265 1.999 2.452 . 0 0 "[ . 1 . ]" 1
169 1 15 VAL HB 1 16 ASP H 0.000 . 5.000 4.361 4.244 4.426 . 0 0 "[ . 1 . ]" 1
170 1 15 VAL HB 1 20 ALA MB 0.000 . 5.000 4.443 4.096 4.827 . 0 0 "[ . 1 . ]" 1
171 1 15 VAL HB 1 31 LEU MD1 0.000 . 5.000 4.982 4.884 5.034 0.034 15 0 "[ . 1 . ]" 1
172 1 15 VAL MG1 1 16 ASP HA 0.000 . 5.000 4.058 3.810 4.148 . 0 0 "[ . 1 . ]" 1
173 1 15 VAL MG1 1 20 ALA MB 0.000 . 2.700 2.515 2.164 2.725 0.025 15 0 "[ . 1 . ]" 1
174 1 15 VAL MG2 1 56 LEU QD 0.000 . 5.000 1.949 1.580 2.483 . 0 0 "[ . 1 . ]" 1
175 1 16 ASP H 1 17 ARG H 0.000 . 5.000 4.596 4.513 4.636 . 0 0 "[ . 1 . ]" 1
176 1 16 ASP H 1 19 LEU H 0.000 . 5.000 3.443 3.279 3.582 . 0 0 "[ . 1 . ]" 1
177 1 16 ASP H 1 19 LEU QD 0.000 . 3.500 2.879 2.085 3.193 . 0 0 "[ . 1 . ]" 1
178 1 16 ASP HA 1 17 ARG H 0.000 . 3.500 2.551 2.474 2.673 . 0 0 "[ . 1 . ]" 1
179 1 16 ASP HA 1 17 ARG HB2 0.000 . 5.000 4.904 4.798 5.038 0.038 10 0 "[ . 1 . ]" 1
180 1 16 ASP HA 1 17 ARG HB3 0.000 . 5.000 5.016 5.004 5.032 0.032 18 0 "[ . 1 . ]" 1
181 1 16 ASP HA 1 18 ASP H 0.000 . 5.000 4.494 4.296 4.704 . 0 0 "[ . 1 . ]" 1
182 1 16 ASP HA 1 19 LEU H 0.000 . 5.000 4.713 4.531 4.991 . 0 0 "[ . 1 . ]" 1
183 1 16 ASP HB2 1 17 ARG H 0.000 . 3.500 3.146 2.016 3.480 . 0 0 "[ . 1 . ]" 1
184 1 16 ASP HB2 1 18 ASP H 0.000 . 5.000 3.067 2.691 3.245 . 0 0 "[ . 1 . ]" 1
185 1 16 ASP HB3 1 17 ARG H 0.000 . 3.500 2.587 2.248 3.515 0.015 4 0 "[ . 1 . ]" 1
186 1 16 ASP HB3 1 18 ASP H 0.000 . 5.000 3.372 3.001 4.592 . 0 0 "[ . 1 . ]" 1
187 1 17 ARG H 1 18 ASP H 0.000 . 2.700 2.733 2.687 2.782 0.082 9 0 "[ . 1 . ]" 1
188 1 17 ARG HA 1 18 ASP H 0.000 . 3.500 3.539 3.525 3.551 0.051 10 0 "[ . 1 . ]" 1
189 1 17 ARG HA 1 20 ALA MB 0.000 . 3.500 2.609 2.262 2.974 . 0 0 "[ . 1 . ]" 1
190 1 17 ARG HB2 1 18 ASP H 0.000 . 5.000 3.902 3.809 3.973 . 0 0 "[ . 1 . ]" 1
191 1 17 ARG HB3 1 18 ASP H 0.000 . 5.000 2.563 2.431 2.684 . 0 0 "[ . 1 . ]" 1
192 1 17 ARG HG2 1 18 ASP H 0.000 . 5.000 3.486 3.170 3.777 . 0 0 "[ . 1 . ]" 1
193 1 17 ARG HG2 1 21 PHE QD 0.000 . 5.000 3.356 2.629 4.790 . 0 0 "[ . 1 . ]" 1
194 1 17 ARG HG2 1 21 PHE QE 0.000 . 5.000 2.152 1.909 4.512 . 0 0 "[ . 1 . ]" 1
195 1 17 ARG HG2 1 21 PHE HZ 0.000 . 5.000 4.152 2.799 4.928 . 0 0 "[ . 1 . ]" 1
196 1 17 ARG HG3 1 18 ASP H 0.000 . 5.000 4.556 4.307 4.787 . 0 0 "[ . 1 . ]" 1
197 1 17 ARG HG3 1 21 PHE QD 0.000 . 5.000 4.384 3.679 4.862 . 0 0 "[ . 1 . ]" 1
198 1 17 ARG HG3 1 21 PHE QE 0.000 . 5.000 2.841 1.927 3.970 . 0 0 "[ . 1 . ]" 1
199 1 17 ARG HG3 1 21 PHE HZ 0.000 . 5.000 4.105 3.058 4.434 . 0 0 "[ . 1 . ]" 1
200 1 18 ASP H 1 19 LEU H 0.000 . 5.000 2.793 2.669 2.939 . 0 0 "[ . 1 . ]" 1
201 1 18 ASP HA 1 21 PHE H 0.000 . 3.500 3.404 3.301 3.483 . 0 0 "[ . 1 . ]" 1
202 1 18 ASP HA 1 21 PHE QB 0.000 . 3.500 3.217 3.042 3.451 . 0 0 "[ . 1 . ]" 1
203 1 18 ASP HA 1 21 PHE QD 0.000 . 5.000 2.131 1.856 4.301 . 0 0 "[ . 1 . ]" 1
204 1 18 ASP HA 1 22 LYS H 0.000 . 5.000 4.559 4.077 4.883 . 0 0 "[ . 1 . ]" 1
205 1 18 ASP HB2 1 19 LEU H 0.000 . 5.000 2.439 2.275 2.606 . 0 0 "[ . 1 . ]" 1
206 1 18 ASP HB3 1 19 LEU H 0.000 . 5.000 3.354 3.116 3.599 . 0 0 "[ . 1 . ]" 1
207 1 18 ASP HB3 1 21 PHE H 0.000 . 5.000 5.005 4.927 5.032 0.032 10 0 "[ . 1 . ]" 1
208 1 18 ASP O 1 21 PHE H 0.000 . 2.300 1.980 1.812 2.078 . 0 0 "[ . 1 . ]" 1
209 1 18 ASP O 1 21 PHE N 0.000 . 3.300 2.764 2.601 2.852 . 0 0 "[ . 1 . ]" 1
210 1 19 LEU H 1 20 ALA H 0.000 . 2.700 2.689 2.598 2.742 0.042 10 0 "[ . 1 . ]" 1
211 1 19 LEU HA 1 20 ALA H 0.000 . 3.500 3.501 3.471 3.518 0.018 3 0 "[ . 1 . ]" 1
212 1 19 LEU HA 1 22 LYS HB2 0.000 . 3.500 2.948 1.863 3.542 0.042 19 0 "[ . 1 . ]" 1
213 1 19 LEU HA 1 22 LYS HB3 0.000 . 3.500 3.129 2.677 3.533 0.033 16 0 "[ . 1 . ]" 1
214 1 19 LEU HB2 1 20 ALA H 0.000 . 5.000 3.777 2.818 4.015 . 0 0 "[ . 1 . ]" 1
215 1 19 LEU HB3 1 20 ALA H 0.000 . 5.000 2.895 2.727 3.690 . 0 0 "[ . 1 . ]" 1
216 1 19 LEU QD 1 20 ALA H 0.000 . 3.500 3.430 3.342 3.535 0.035 17 0 "[ . 1 . ]" 1
217 1 19 LEU QD 1 22 LYS H 0.000 . 5.000 4.314 4.060 4.621 . 0 0 "[ . 1 . ]" 1
218 1 19 LEU QD 1 34 LEU QD 0.000 . 3.500 2.526 2.115 3.070 . 0 0 "[ . 1 . ]" 1
219 1 19 LEU QD 1 45 ILE MD 0.000 . 5.000 4.407 3.694 4.773 . 0 0 "[ . 1 . ]" 1
220 1 19 LEU QD 1 45 ILE MG 0.000 . 3.500 3.040 2.222 3.321 . 0 0 "[ . 1 . ]" 1
221 1 19 LEU QD 1 48 LEU QD 0.000 . 5.000 2.634 1.996 3.428 . 0 0 "[ . 1 . ]" 1
222 1 19 LEU QD 1 52 LYS HE2 0.000 . 5.000 3.688 2.331 4.727 . 0 0 "[ . 1 . ]" 1
223 1 19 LEU QD 1 52 LYS HE3 0.000 . 5.000 4.320 3.353 4.898 . 0 0 "[ . 1 . ]" 1
224 1 20 ALA H 1 21 PHE H 0.000 . 2.700 2.655 2.530 2.724 0.024 16 0 "[ . 1 . ]" 1
225 1 20 ALA HA 1 21 PHE H 0.000 . 3.500 3.520 3.487 3.547 0.047 1 0 "[ . 1 . ]" 1
226 1 20 ALA HA 1 23 LEU HB2 0.000 . 5.000 3.862 3.638 4.097 . 0 0 "[ . 1 . ]" 1
227 1 20 ALA HA 1 23 LEU HB3 0.000 . 3.500 2.710 2.426 3.143 . 0 0 "[ . 1 . ]" 1
228 1 20 ALA MB 1 21 PHE H 0.000 . 3.500 2.683 2.468 2.828 . 0 0 "[ . 1 . ]" 1
229 1 20 ALA MB 1 21 PHE HA 0.000 . 5.000 3.831 3.766 3.896 . 0 0 "[ . 1 . ]" 1
230 1 20 ALA MB 1 21 PHE QB 0.000 . 5.000 4.271 4.081 4.388 . 0 0 "[ . 1 . ]" 1
231 1 20 ALA MB 1 21 PHE QD 0.000 . 5.000 3.550 2.369 3.964 . 0 0 "[ . 1 . ]" 1
232 1 20 ALA MB 1 21 PHE QE 0.000 . 5.000 4.014 3.184 4.360 . 0 0 "[ . 1 . ]" 1
233 1 20 ALA O 1 24 ALA H 0.000 . 2.300 1.775 1.657 1.929 . 0 0 "[ . 1 . ]" 1
234 1 20 ALA O 1 24 ALA N 0.000 . 3.300 2.657 2.500 2.828 . 0 0 "[ . 1 . ]" 1
235 1 21 PHE H 1 22 LYS H 0.000 . 2.700 2.538 2.384 2.660 . 0 0 "[ . 1 . ]" 1
236 1 21 PHE HA 1 22 LYS H 0.000 . 5.000 3.564 3.514 3.593 . 0 0 "[ . 1 . ]" 1
237 1 21 PHE HA 1 24 ALA H 0.000 . 5.000 3.289 3.155 3.381 . 0 0 "[ . 1 . ]" 1
238 1 21 PHE HA 1 24 ALA MB 0.000 . 3.500 2.371 2.101 2.673 . 0 0 "[ . 1 . ]" 1
239 1 21 PHE HA 1 25 ALA H 0.000 . 3.500 3.506 3.408 3.539 0.039 18 0 "[ . 1 . ]" 1
240 1 21 PHE QB 1 22 LYS H 0.000 . 2.700 2.473 2.302 2.670 . 0 0 "[ . 1 . ]" 1
241 1 21 PHE QD 1 24 ALA MB 0.000 . 5.000 3.769 3.234 3.920 . 0 0 "[ . 1 . ]" 1
242 1 21 PHE QE 1 24 ALA MB 0.000 . 5.000 4.954 4.664 5.012 0.012 18 0 "[ . 1 . ]" 1
243 1 21 PHE O 1 25 ALA H 0.000 . 2.300 1.719 1.527 1.940 . 0 0 "[ . 1 . ]" 1
244 1 21 PHE O 1 25 ALA N 0.000 . 3.300 2.614 2.432 2.781 . 0 0 "[ . 1 . ]" 1
245 1 22 LYS H 1 23 LEU H 0.000 . 2.700 2.624 2.493 2.703 0.003 18 0 "[ . 1 . ]" 1
246 1 22 LYS HA 1 23 LEU H 0.000 . 5.000 3.520 3.500 3.543 . 0 0 "[ . 1 . ]" 1
247 1 22 LYS HA 1 25 ALA H 0.000 . 5.000 3.706 3.505 3.860 . 0 0 "[ . 1 . ]" 1
248 1 22 LYS HA 1 25 ALA MB 0.000 . 3.500 2.743 2.477 2.951 . 0 0 "[ . 1 . ]" 1
249 1 22 LYS HA 1 45 ILE MG 0.000 . 5.000 4.868 4.053 5.018 0.018 17 0 "[ . 1 . ]" 1
250 1 22 LYS HB2 1 45 ILE MG 0.000 . 5.000 3.856 2.866 4.339 . 0 0 "[ . 1 . ]" 1
251 1 22 LYS HB3 1 45 ILE MG 0.000 . 5.000 3.029 1.992 3.592 . 0 0 "[ . 1 . ]" 1
252 1 22 LYS HD2 1 45 ILE MG 0.000 . 5.000 3.142 1.843 4.228 . 0 0 "[ . 1 . ]" 1
253 1 22 LYS HD3 1 45 ILE MG 0.000 . 3.500 2.282 1.741 3.512 0.012 7 0 "[ . 1 . ]" 1
254 1 23 LEU H 1 24 ALA H 0.000 . 2.700 2.435 2.314 2.578 . 0 0 "[ . 1 . ]" 1
255 1 23 LEU HA 1 24 ALA H 0.000 . 5.000 3.560 3.545 3.578 . 0 0 "[ . 1 . ]" 1
256 1 23 LEU HA 1 26 ARG H 0.000 . 5.000 3.621 3.392 3.781 . 0 0 "[ . 1 . ]" 1
257 1 23 LEU HA 1 37 GLN HG2 0.000 . 3.500 1.945 1.846 2.124 . 0 0 "[ . 1 . ]" 1
258 1 23 LEU HA 1 37 GLN HG3 0.000 . 3.500 2.070 1.854 2.308 . 0 0 "[ . 1 . ]" 1
259 1 23 LEU HA 1 45 ILE MD 0.000 . 5.000 3.544 2.902 4.326 . 0 0 "[ . 1 . ]" 1
260 1 23 LEU HB2 1 24 ALA H 0.000 . 5.000 3.853 3.660 3.950 . 0 0 "[ . 1 . ]" 1
261 1 23 LEU HB2 1 28 VAL HB 0.000 . 5.000 4.666 4.329 5.019 0.019 9 0 "[ . 1 . ]" 1
262 1 23 LEU HB3 1 24 ALA H 0.000 . 5.000 2.555 2.378 2.642 . 0 0 "[ . 1 . ]" 1
263 1 23 LEU HB3 1 28 VAL HB 0.000 . 5.000 4.183 3.471 4.634 . 0 0 "[ . 1 . ]" 1
264 1 23 LEU QD 1 24 ALA H 0.000 . 5.000 3.142 2.595 3.867 . 0 0 "[ . 1 . ]" 1
265 1 23 LEU QD 1 24 ALA MB 0.000 . 5.000 3.439 2.967 4.255 . 0 0 "[ . 1 . ]" 1
266 1 23 LEU QD 1 28 VAL MG1 0.000 . 5.000 1.965 1.621 2.312 . 0 0 "[ . 1 . ]" 1
267 1 23 LEU QD 1 29 CYS HA 0.000 . 5.000 3.686 2.707 4.334 . 0 0 "[ . 1 . ]" 1
268 1 23 LEU QD 1 30 THR HA 0.000 . 5.000 4.948 4.774 5.009 0.009 13 0 "[ . 1 . ]" 1
269 1 23 LEU QD 1 37 GLN HG2 0.000 . 5.000 3.364 3.195 3.487 . 0 0 "[ . 1 . ]" 1
270 1 23 LEU QD 1 45 ILE MD 0.000 . 5.000 3.926 3.422 4.619 . 0 0 "[ . 1 . ]" 1
271 1 23 LEU O 1 26 ARG H 0.000 . 2.300 2.172 1.809 2.317 0.017 8 0 "[ . 1 . ]" 1
272 1 23 LEU O 1 26 ARG N 0.000 . 3.300 3.043 2.670 3.179 . 0 0 "[ . 1 . ]" 1
273 1 24 ALA H 1 25 ALA H 0.000 . 2.700 2.572 2.525 2.709 0.009 7 0 "[ . 1 . ]" 1
274 1 24 ALA H 1 26 ARG H 0.000 . 5.000 3.933 3.824 4.032 . 0 0 "[ . 1 . ]" 1
275 1 24 ALA HA 1 25 ALA H 0.000 . 3.500 3.520 3.511 3.537 0.037 7 0 "[ . 1 . ]" 1
276 1 24 ALA HA 1 26 ARG H 0.000 . 5.000 3.576 3.417 3.848 . 0 0 "[ . 1 . ]" 1
277 1 24 ALA HA 1 27 GLY H 0.000 . 5.000 3.991 3.792 4.115 . 0 0 "[ . 1 . ]" 1
278 1 24 ALA HA 1 28 VAL H 0.000 . 5.000 3.511 3.287 3.637 . 0 0 "[ . 1 . ]" 1
279 1 24 ALA HA 1 28 VAL MG2 0.000 . 5.000 4.342 4.015 4.997 . 0 0 "[ . 1 . ]" 1
280 1 24 ALA HA 1 29 CYS HA 0.000 . 2.700 2.461 2.031 2.690 . 0 0 "[ . 1 . ]" 1
281 1 24 ALA MB 1 25 ALA H 0.000 . 3.500 2.698 2.519 2.825 . 0 0 "[ . 1 . ]" 1
282 1 24 ALA MB 1 26 ARG H 0.000 . 5.000 4.173 4.076 4.289 . 0 0 "[ . 1 . ]" 1
283 1 24 ALA MB 1 28 VAL H 0.000 . 5.000 4.944 4.738 5.040 0.040 18 0 "[ . 1 . ]" 1
284 1 24 ALA MB 1 29 CYS HA 0.000 . 3.500 2.485 2.078 2.905 . 0 0 "[ . 1 . ]" 1
285 1 24 ALA MB 1 29 CYS HB2 0.000 . 5.000 4.569 3.336 4.965 . 0 0 "[ . 1 . ]" 1
286 1 24 ALA O 1 27 GLY H 0.000 . 2.300 2.251 2.078 2.327 0.027 7 0 "[ . 1 . ]" 1
287 1 24 ALA O 1 27 GLY N 0.000 . 3.300 3.128 2.977 3.237 . 0 0 "[ . 1 . ]" 1
288 1 25 ALA H 1 26 ARG H 0.000 . 3.500 2.578 2.514 2.628 . 0 0 "[ . 1 . ]" 1
289 1 25 ALA HA 1 26 ARG H 0.000 . 3.500 3.371 3.293 3.448 . 0 0 "[ . 1 . ]" 1
290 1 25 ALA MB 1 26 ARG H 0.000 . 3.500 3.144 2.962 3.296 . 0 0 "[ . 1 . ]" 1
291 1 26 ARG H 1 27 GLY H 0.000 . 2.700 2.567 2.404 2.683 . 0 0 "[ . 1 . ]" 1
292 1 26 ARG H 1 28 VAL H 0.000 . 5.000 3.202 3.054 3.339 . 0 0 "[ . 1 . ]" 1
293 1 26 ARG HA 1 27 GLY H 0.000 . 3.500 3.138 3.113 3.187 . 0 0 "[ . 1 . ]" 1
294 1 26 ARG HD2 1 45 ILE MD 0.000 . 5.000 2.481 1.721 3.780 . 0 0 "[ . 1 . ]" 1
295 1 26 ARG HD3 1 45 ILE MD 0.000 . 5.000 3.005 1.751 4.606 . 0 0 "[ . 1 . ]" 1
296 1 27 GLY H 1 28 VAL H 0.000 . 5.000 2.641 2.499 2.753 . 0 0 "[ . 1 . ]" 1
297 1 27 GLY HA2 1 28 VAL H 0.000 . 3.500 3.131 3.028 3.232 . 0 0 "[ . 1 . ]" 1
298 1 27 GLY HA2 1 28 VAL MG2 0.000 . 5.000 3.659 3.519 3.903 . 0 0 "[ . 1 . ]" 1
299 1 27 GLY HA3 1 28 VAL H 0.000 . 3.500 3.422 3.349 3.497 . 0 0 "[ . 1 . ]" 1
300 1 27 GLY HA3 1 28 VAL MG2 0.000 . 5.000 4.500 4.390 4.758 . 0 0 "[ . 1 . ]" 1
301 1 28 VAL H 1 29 CYS H 0.000 . 5.000 3.800 3.490 4.248 . 0 0 "[ . 1 . ]" 1
302 1 28 VAL HA 1 29 CYS H 0.000 . 3.500 2.463 2.224 2.619 . 0 0 "[ . 1 . ]" 1
303 1 28 VAL HA 1 30 THR H 0.000 . 5.000 3.193 3.045 3.701 . 0 0 "[ . 1 . ]" 1
304 1 28 VAL HA 1 33 ASP H 0.000 . 5.000 4.795 4.612 5.027 0.027 12 0 "[ . 1 . ]" 1
305 1 28 VAL HA 1 33 ASP HB2 0.000 . 3.500 2.383 2.144 2.665 . 0 0 "[ . 1 . ]" 1
306 1 28 VAL HA 1 33 ASP HB3 0.000 . 3.500 1.844 1.727 2.037 . 0 0 "[ . 1 . ]" 1
307 1 28 VAL MG1 1 29 CYS H 0.000 . 5.000 3.821 3.224 4.063 . 0 0 "[ . 1 . ]" 1
308 1 28 VAL MG1 1 30 THR H 0.000 . 5.000 3.163 2.829 3.857 . 0 0 "[ . 1 . ]" 1
309 1 28 VAL MG1 1 33 ASP HA 0.000 . 5.000 3.382 3.232 3.598 . 0 0 "[ . 1 . ]" 1
310 1 28 VAL MG1 1 33 ASP HB2 0.000 . 3.500 1.804 1.753 1.892 . 0 0 "[ . 1 . ]" 1
311 1 28 VAL MG1 1 33 ASP HB3 0.000 . 3.500 2.058 1.797 2.409 . 0 0 "[ . 1 . ]" 1
312 1 28 VAL MG1 1 34 LEU HA 0.000 . 5.000 1.899 1.781 2.133 . 0 0 "[ . 1 . ]" 1
313 1 28 VAL MG1 1 34 LEU HB2 0.000 . 3.500 2.170 1.971 2.383 . 0 0 "[ . 1 . ]" 1
314 1 28 VAL MG1 1 34 LEU HB3 0.000 . 3.500 3.374 3.244 3.518 0.018 12 0 "[ . 1 . ]" 1
315 1 28 VAL MG1 1 34 LEU QD 0.000 . 5.000 2.458 2.072 3.339 . 0 0 "[ . 1 . ]" 1
316 1 28 VAL MG1 1 35 ALA H 0.000 . 5.000 4.048 3.947 4.129 . 0 0 "[ . 1 . ]" 1
317 1 28 VAL MG1 1 37 GLN H 0.000 . 5.000 4.208 3.974 4.487 . 0 0 "[ . 1 . ]" 1
318 1 28 VAL MG1 1 37 GLN HE21 0.000 . 3.500 2.349 2.194 2.517 . 0 0 "[ . 1 . ]" 1
319 1 28 VAL MG1 1 37 GLN HE22 0.000 . 3.500 3.497 3.319 3.535 0.035 19 0 "[ . 1 . ]" 1
320 1 28 VAL MG1 1 37 GLN HG2 0.000 . 5.000 2.810 2.546 3.092 . 0 0 "[ . 1 . ]" 1
321 1 28 VAL MG1 1 37 GLN HG3 0.000 . 5.000 2.565 2.219 2.990 . 0 0 "[ . 1 . ]" 1
322 1 28 VAL MG2 1 33 ASP HB2 0.000 . 5.000 4.050 3.557 4.292 . 0 0 "[ . 1 . ]" 1
323 1 28 VAL MG2 1 33 ASP HB3 0.000 . 5.000 3.240 2.527 3.562 . 0 0 "[ . 1 . ]" 1
324 1 28 VAL MG2 1 34 LEU HA 0.000 . 5.000 3.281 3.119 3.508 . 0 0 "[ . 1 . ]" 1
325 1 28 VAL MG2 1 37 GLN H 0.000 . 5.000 4.971 4.750 5.017 0.017 7 0 "[ . 1 . ]" 1
326 1 28 VAL MG2 1 37 GLN HE21 0.000 . 3.500 2.713 1.987 3.066 . 0 0 "[ . 1 . ]" 1
327 1 28 VAL MG2 1 37 GLN HE22 0.000 . 3.500 2.763 1.992 3.247 . 0 0 "[ . 1 . ]" 1
328 1 28 VAL MG2 1 37 GLN HG2 0.000 . 3.500 3.351 3.281 3.423 . 0 0 "[ . 1 . ]" 1
329 1 28 VAL MG2 1 37 GLN HG3 0.000 . 3.500 2.359 2.119 2.689 . 0 0 "[ . 1 . ]" 1
330 1 28 VAL MG2 1 42 LEU QD 0.000 . 5.000 3.295 2.806 3.859 . 0 0 "[ . 1 . ]" 1
331 1 29 CYS H 1 30 THR H 0.000 . 3.500 2.467 1.954 2.678 . 0 0 "[ . 1 . ]" 1
332 1 29 CYS HA 1 30 THR H 0.000 . 3.500 3.402 3.329 3.537 0.037 13 0 "[ . 1 . ]" 1
333 1 29 CYS HB2 1 30 THR H 0.000 . 3.500 3.343 2.862 3.501 0.001 1 0 "[ . 1 . ]" 1
334 1 29 CYS HB2 1 30 THR MG 0.000 . 3.500 3.167 2.866 3.617 0.117 13 0 "[ . 1 . ]" 1
335 1 29 CYS HB3 1 30 THR H 0.000 . 5.000 4.237 3.513 4.453 . 0 0 "[ . 1 . ]" 1
336 1 29 CYS HB3 1 30 THR MG 0.000 . 5.000 3.865 3.405 4.884 . 0 0 "[ . 1 . ]" 1
337 1 30 THR H 1 31 LEU H 0.000 . 5.000 4.496 4.434 4.596 . 0 0 "[ . 1 . ]" 1
338 1 30 THR H 1 33 ASP H 0.000 . 5.000 3.592 3.500 3.667 . 0 0 "[ . 1 . ]" 1
339 1 30 THR H 1 33 ASP HA 0.000 . 5.000 5.035 5.013 5.056 0.056 13 0 "[ . 1 . ]" 1
340 1 30 THR H 1 33 ASP HB2 0.000 . 5.000 2.292 2.163 2.640 . 0 0 "[ . 1 . ]" 1
341 1 30 THR H 1 33 ASP HB3 0.000 . 5.000 3.607 3.508 3.771 . 0 0 "[ . 1 . ]" 1
342 1 30 THR HA 1 31 LEU H 0.000 . 3.500 2.311 2.251 2.382 . 0 0 "[ . 1 . ]" 1
343 1 30 THR HA 1 31 LEU HB2 0.000 . 5.000 4.662 4.559 4.777 . 0 0 "[ . 1 . ]" 1
344 1 30 THR HA 1 31 LEU HB3 0.000 . 5.000 4.888 4.765 5.006 0.006 4 0 "[ . 1 . ]" 1
345 1 30 THR HA 1 32 GLU H 0.000 . 5.000 4.200 4.100 4.308 . 0 0 "[ . 1 . ]" 1
346 1 30 THR HB 1 31 LEU H 0.000 . 3.500 2.818 2.575 3.076 . 0 0 "[ . 1 . ]" 1
347 1 30 THR HB 1 32 GLU H 0.000 . 5.000 2.595 2.537 2.652 . 0 0 "[ . 1 . ]" 1
348 1 30 THR HB 1 33 ASP H 0.000 . 5.000 3.108 2.842 3.384 . 0 0 "[ . 1 . ]" 1
349 1 30 THR MG 1 31 LEU H 0.000 . 3.500 3.490 3.450 3.506 0.006 12 0 "[ . 1 . ]" 1
350 1 30 THR MG 1 32 GLU H 0.000 . 5.000 4.216 4.144 4.282 . 0 0 "[ . 1 . ]" 1
351 1 31 LEU H 1 31 LEU MD1 0.000 . 5.000 4.042 3.756 4.189 . 0 0 "[ . 1 . ]" 1
352 1 31 LEU H 1 32 GLU H 0.000 . 3.500 2.760 2.696 2.880 . 0 0 "[ . 1 . ]" 1
353 1 31 LEU H 1 33 ASP H 0.000 . 5.000 4.224 4.130 4.350 . 0 0 "[ . 1 . ]" 1
354 1 31 LEU HA 1 32 GLU H 0.000 . 5.000 3.548 3.541 3.556 . 0 0 "[ . 1 . ]" 1
355 1 31 LEU HA 1 60 ALA MB 0.000 . 5.000 3.272 3.151 3.405 . 0 0 "[ . 1 . ]" 1
356 1 31 LEU HB2 1 32 GLU H 0.000 . 5.000 3.887 3.761 3.978 . 0 0 "[ . 1 . ]" 1
357 1 31 LEU HB3 1 32 GLU H 0.000 . 5.000 2.623 2.560 2.672 . 0 0 "[ . 1 . ]" 1
358 1 31 LEU MD1 1 60 ALA HA 0.000 . 5.000 2.054 1.904 2.254 . 0 0 "[ . 1 . ]" 1
359 1 31 LEU MD1 1 63 ILE H 0.000 . 5.000 5.020 4.975 5.056 0.056 12 0 "[ . 1 . ]" 1
360 1 31 LEU MD1 1 63 ILE MG 0.000 . 5.000 4.188 3.981 4.429 . 0 0 "[ . 1 . ]" 1
361 1 31 LEU MD2 1 32 GLU H 0.000 . 5.000 4.043 3.857 4.455 . 0 0 "[ . 1 . ]" 1
362 1 31 LEU MD2 1 60 ALA H 0.000 . 5.000 4.572 4.364 4.829 . 0 0 "[ . 1 . ]" 1
363 1 31 LEU MD2 1 60 ALA HA 0.000 . 5.000 2.098 1.914 2.309 . 0 0 "[ . 1 . ]" 1
364 1 31 LEU MD2 1 60 ALA MB 0.000 . 2.700 2.742 2.704 2.785 0.085 12 0 "[ . 1 . ]" 1
365 1 31 LEU MD2 1 63 ILE H 0.000 . 5.000 3.798 3.591 4.080 . 0 0 "[ . 1 . ]" 1
366 1 31 LEU MD2 1 63 ILE MD 0.000 . 5.000 2.477 1.980 2.756 . 0 0 "[ . 1 . ]" 1
367 1 31 LEU MD2 1 63 ILE MG 0.000 . 3.500 2.561 2.184 2.732 . 0 0 "[ . 1 . ]" 1
368 1 31 LEU MD2 1 64 CYS H 0.000 . 5.000 2.958 2.619 3.580 . 0 0 "[ . 1 . ]" 1
369 1 31 LEU O 1 35 ALA H 0.000 . 2.300 2.070 1.794 2.281 . 0 0 "[ . 1 . ]" 1
370 1 31 LEU O 1 35 ALA N 0.000 . 3.300 2.967 2.733 3.151 . 0 0 "[ . 1 . ]" 1
371 1 32 GLU H 1 33 ASP H 0.000 . 3.500 2.691 2.655 2.733 . 0 0 "[ . 1 . ]" 1
372 1 32 GLU H 1 34 LEU H 0.000 . 5.000 4.062 3.976 4.166 . 0 0 "[ . 1 . ]" 1
373 1 32 GLU HA 1 33 ASP H 0.000 . 3.500 3.536 3.522 3.555 0.055 12 0 "[ . 1 . ]" 1
374 1 32 GLU HA 1 35 ALA MB 0.000 . 3.500 2.420 2.231 2.718 . 0 0 "[ . 1 . ]" 1
375 1 32 GLU HA 1 36 GLU H 0.000 . 5.000 4.668 4.376 4.970 . 0 0 "[ . 1 . ]" 1
376 1 32 GLU HA 1 65 TRP HE1 0.000 . 5.000 4.678 4.324 4.995 . 0 0 "[ . 1 . ]" 1
377 1 32 GLU HB2 1 33 ASP H 0.000 . 3.500 2.937 2.580 3.562 0.062 6 0 "[ . 1 . ]" 1
378 1 32 GLU HB3 1 33 ASP H 0.000 . 3.500 3.191 2.479 3.519 0.019 4 0 "[ . 1 . ]" 1
379 1 32 GLU QG 1 33 ASP H 0.000 . 5.000 4.116 3.976 4.202 . 0 0 "[ . 1 . ]" 1
380 1 33 ASP H 1 34 LEU H 0.000 . 5.000 2.669 2.561 2.765 . 0 0 "[ . 1 . ]" 1
381 1 33 ASP H 1 35 ALA H 0.000 . 5.000 4.122 4.038 4.229 . 0 0 "[ . 1 . ]" 1
382 1 33 ASP HA 1 34 LEU H 0.000 . 5.000 3.529 3.517 3.550 . 0 0 "[ . 1 . ]" 1
383 1 33 ASP HA 1 36 GLU H 0.000 . 5.000 3.612 3.503 3.741 . 0 0 "[ . 1 . ]" 1
384 1 33 ASP HA 1 37 GLN HE22 0.000 . 5.000 4.895 4.542 5.018 0.018 11 0 "[ . 1 . ]" 1
385 1 33 ASP HB2 1 34 LEU H 0.000 . 5.000 2.741 2.637 2.828 . 0 0 "[ . 1 . ]" 1
386 1 33 ASP HB3 1 34 LEU H 0.000 . 5.000 3.700 3.532 3.803 . 0 0 "[ . 1 . ]" 1
387 1 34 LEU H 1 35 ALA H 0.000 . 3.500 2.536 2.484 2.630 . 0 0 "[ . 1 . ]" 1
388 1 34 LEU H 1 36 GLU H 0.000 . 5.000 3.946 3.848 4.040 . 0 0 "[ . 1 . ]" 1
389 1 34 LEU H 1 37 GLN H 0.000 . 5.000 4.975 4.916 5.015 0.015 17 0 "[ . 1 . ]" 1
390 1 34 LEU HA 1 36 GLU H 0.000 . 5.000 3.775 3.619 3.901 . 0 0 "[ . 1 . ]" 1
391 1 34 LEU HB2 1 35 ALA H 0.000 . 5.000 3.888 3.633 4.026 . 0 0 "[ . 1 . ]" 1
392 1 34 LEU HB2 1 60 ALA MB 0.000 . 5.000 3.770 3.516 4.021 . 0 0 "[ . 1 . ]" 1
393 1 34 LEU HB3 1 35 ALA H 0.000 . 5.000 2.680 2.518 2.807 . 0 0 "[ . 1 . ]" 1
394 1 34 LEU HB3 1 60 ALA MB 0.000 . 5.000 2.477 2.230 2.694 . 0 0 "[ . 1 . ]" 1
395 1 34 LEU QD 1 35 ALA H 0.000 . 5.000 3.448 2.752 4.005 . 0 0 "[ . 1 . ]" 1
396 1 34 LEU QD 1 56 LEU HB2 0.000 . 5.000 4.272 3.530 4.692 . 0 0 "[ . 1 . ]" 1
397 1 34 LEU QD 1 56 LEU HB3 0.000 . 5.000 3.176 2.432 3.887 . 0 0 "[ . 1 . ]" 1
398 1 34 LEU QD 1 57 ILE HA 0.000 . 3.500 1.953 1.673 2.478 . 0 0 "[ . 1 . ]" 1
399 1 34 LEU QD 1 60 ALA HA 0.000 . 5.000 4.254 3.945 4.686 . 0 0 "[ . 1 . ]" 1
400 1 34 LEU QD 1 60 ALA MB 0.000 . 2.700 1.960 1.649 2.459 . 0 0 "[ . 1 . ]" 1
401 1 34 LEU HG 1 57 ILE HA 0.000 . 5.000 3.356 2.230 4.865 . 0 0 "[ . 1 . ]" 1
402 1 34 LEU O 1 37 GLN H 0.000 . 2.300 1.869 1.718 1.995 . 0 0 "[ . 1 . ]" 1
403 1 34 LEU O 1 37 GLN N 0.000 . 3.300 2.758 2.618 2.868 . 0 0 "[ . 1 . ]" 1
404 1 35 ALA H 1 36 GLU H 0.000 . 3.500 2.649 2.605 2.736 . 0 0 "[ . 1 . ]" 1
405 1 35 ALA H 1 37 GLN H 0.000 . 5.000 4.024 3.969 4.080 . 0 0 "[ . 1 . ]" 1
406 1 35 ALA HA 1 36 GLU H 0.000 . 3.500 3.473 3.438 3.504 0.004 12 0 "[ . 1 . ]" 1
407 1 35 ALA HA 1 57 ILE HA 0.000 . 5.000 3.967 3.261 4.492 . 0 0 "[ . 1 . ]" 1
408 1 35 ALA HA 1 57 ILE MG 0.000 . 3.500 2.650 2.294 2.986 . 0 0 "[ . 1 . ]" 1
409 1 35 ALA HA 1 60 ALA MB 0.000 . 3.500 3.102 2.862 3.350 . 0 0 "[ . 1 . ]" 1
410 1 35 ALA HA 1 61 ARG H 0.000 . 3.500 3.508 3.419 3.538 0.038 4 0 "[ . 1 . ]" 1
411 1 35 ALA HA 1 61 ARG QD 0.000 . 3.500 3.460 3.172 3.541 0.041 12 0 "[ . 1 . ]" 1
412 1 35 ALA HA 1 61 ARG HE 0.000 . 3.500 2.590 2.139 3.486 . 0 0 "[ . 1 . ]" 1
413 1 35 ALA HA 1 61 ARG HG2 0.000 . 3.500 2.354 1.954 2.990 . 0 0 "[ . 1 . ]" 1
414 1 35 ALA HA 1 61 ARG HG3 0.000 . 3.500 1.822 1.727 1.945 . 0 0 "[ . 1 . ]" 1
415 1 35 ALA MB 1 36 GLU H 0.000 . 3.500 2.900 2.797 3.005 . 0 0 "[ . 1 . ]" 1
416 1 35 ALA MB 1 55 ALA MB 0.000 . 5.000 2.868 2.511 3.246 . 0 0 "[ . 1 . ]" 1
417 1 35 ALA MB 1 60 ALA HA 0.000 . 5.000 4.548 4.147 4.967 . 0 0 "[ . 1 . ]" 1
418 1 35 ALA MB 1 61 ARG HA 0.000 . 2.700 1.962 1.808 2.303 . 0 0 "[ . 1 . ]" 1
419 1 35 ALA MB 1 61 ARG HE 0.000 . 5.000 3.485 2.995 3.794 . 0 0 "[ . 1 . ]" 1
420 1 35 ALA MB 1 61 ARG HG2 0.000 . 3.500 1.967 1.843 2.174 . 0 0 "[ . 1 . ]" 1
421 1 35 ALA MB 1 62 ASN H 0.000 . 5.000 4.799 4.483 5.007 0.007 12 0 "[ . 1 . ]" 1
422 1 35 ALA MB 1 64 CYS HB2 0.000 . 3.500 2.667 2.267 3.099 . 0 0 "[ . 1 . ]" 1
423 1 35 ALA MB 1 64 CYS HB3 0.000 . 3.500 3.259 2.981 3.428 . 0 0 "[ . 1 . ]" 1
424 1 35 ALA MB 1 65 TRP HD1 0.000 . 5.000 3.970 3.487 4.380 . 0 0 "[ . 1 . ]" 1
425 1 35 ALA MB 1 65 TRP HE1 0.000 . 3.500 2.743 2.470 3.403 . 0 0 "[ . 1 . ]" 1
426 1 35 ALA MB 1 65 TRP HZ2 0.000 . 5.000 2.894 2.473 3.210 . 0 0 "[ . 1 . ]" 1
427 1 36 GLU H 1 37 GLN H 0.000 . 2.700 2.381 2.289 2.469 . 0 0 "[ . 1 . ]" 1
428 1 36 GLU H 1 57 ILE MG 0.000 . 5.000 4.638 4.246 4.950 . 0 0 "[ . 1 . ]" 1
429 1 36 GLU H 1 65 TRP HZ2 0.000 . 5.000 4.773 4.291 5.002 0.002 5 0 "[ . 1 . ]" 1
430 1 36 GLU HA 1 37 GLN H 0.000 . 5.000 3.389 3.370 3.419 . 0 0 "[ . 1 . ]" 1
431 1 36 GLU HA 1 65 TRP HH2 0.000 . 5.000 4.207 2.455 4.719 . 0 0 "[ . 1 . ]" 1
432 1 36 GLU HA 1 65 TRP HZ2 0.000 . 3.500 3.374 2.486 3.507 0.007 8 0 "[ . 1 . ]" 1
433 1 36 GLU HG3 1 65 TRP HZ2 0.000 . 5.000 4.414 3.726 5.519 0.519 13 1 "[ . 1 + . ]" 1
434 1 37 GLN H 1 38 GLY H 0.000 . 5.000 4.628 4.399 4.655 . 0 0 "[ . 1 . ]" 1
435 1 37 GLN H 1 57 ILE MD 0.000 . 5.000 4.489 3.996 4.814 . 0 0 "[ . 1 . ]" 1
436 1 37 GLN H 1 57 ILE MG 0.000 . 5.000 3.454 3.129 3.737 . 0 0 "[ . 1 . ]" 1
437 1 37 GLN HA 1 38 GLY H 0.000 . 3.500 2.419 2.371 2.881 . 0 0 "[ . 1 . ]" 1
438 1 37 GLN HA 1 57 ILE MD 0.000 . 5.000 4.422 4.131 4.603 . 0 0 "[ . 1 . ]" 1
439 1 37 GLN HB2 1 38 GLY H 0.000 . 3.500 3.415 2.574 3.498 . 0 0 "[ . 1 . ]" 1
440 1 37 GLN HB2 1 42 LEU QD 0.000 . 5.000 2.162 1.757 2.679 . 0 0 "[ . 1 . ]" 1
441 1 37 GLN HB2 1 57 ILE MD 0.000 . 3.500 2.707 2.193 2.967 . 0 0 "[ . 1 . ]" 1
442 1 37 GLN HB3 1 38 GLY H 0.000 . 3.500 2.608 1.957 2.682 . 0 0 "[ . 1 . ]" 1
443 1 37 GLN HB3 1 42 LEU QD 0.000 . 5.000 1.912 1.741 2.242 . 0 0 "[ . 1 . ]" 1
444 1 37 GLN HB3 1 57 ILE MD 0.000 . 3.500 3.429 3.183 3.516 0.016 14 0 "[ . 1 . ]" 1
445 1 37 GLN HE21 1 42 LEU QD 0.000 . 5.000 4.706 4.537 4.804 . 0 0 "[ . 1 . ]" 1
446 1 37 GLN HE22 1 42 LEU QD 0.000 . 5.000 4.855 4.502 4.928 . 0 0 "[ . 1 . ]" 1
447 1 37 GLN HG2 1 38 GLY H 0.000 . 5.000 4.939 4.550 5.001 0.001 5 0 "[ . 1 . ]" 1
448 1 37 GLN HG2 1 42 LEU QD 0.000 . 5.000 3.538 3.339 3.637 . 0 0 "[ . 1 . ]" 1
449 1 37 GLN HG3 1 38 GLY H 0.000 . 5.000 5.024 4.355 5.079 0.079 17 0 "[ . 1 . ]" 1
450 1 38 GLY H 1 39 ILE H 0.000 . 5.000 4.504 4.302 4.536 . 0 0 "[ . 1 . ]" 1
451 1 38 GLY H 1 41 ASP H 0.000 . 3.500 3.245 3.049 3.420 . 0 0 "[ . 1 . ]" 1
452 1 38 GLY H 1 41 ASP HB2 0.000 . 5.000 1.923 1.798 2.708 . 0 0 "[ . 1 . ]" 1
453 1 38 GLY H 1 41 ASP HB3 0.000 . 5.000 3.153 1.868 3.428 . 0 0 "[ . 1 . ]" 1
454 1 38 GLY H 1 57 ILE MD 0.000 . 3.500 3.351 2.592 3.504 0.004 3 0 "[ . 1 . ]" 1
455 1 38 GLY HA2 1 39 ILE H 0.000 . 3.500 2.872 2.751 2.994 . 0 0 "[ . 1 . ]" 1
456 1 38 GLY HA2 1 40 ASP H 0.000 . 5.000 3.436 3.344 3.518 . 0 0 "[ . 1 . ]" 1
457 1 38 GLY HA2 1 41 ASP H 0.000 . 3.500 3.269 3.102 3.364 . 0 0 "[ . 1 . ]" 1
458 1 38 GLY HA2 1 57 ILE MD 0.000 . 5.000 3.703 3.492 4.019 . 0 0 "[ . 1 . ]" 1
459 1 38 GLY HA3 1 39 ILE H 0.000 . 3.500 2.385 2.309 2.484 . 0 0 "[ . 1 . ]" 1
460 1 38 GLY HA3 1 40 ASP H 0.000 . 5.000 4.289 4.204 4.372 . 0 0 "[ . 1 . ]" 1
461 1 38 GLY HA3 1 41 ASP H 0.000 . 5.000 4.434 4.288 4.496 . 0 0 "[ . 1 . ]" 1
462 1 38 GLY HA3 1 57 ILE MD 0.000 . 3.500 2.580 2.291 2.991 . 0 0 "[ . 1 . ]" 1
463 1 38 GLY O 1 41 ASP H 0.000 . 2.300 2.178 1.982 2.298 . 0 0 "[ . 1 . ]" 1
464 1 38 GLY O 1 41 ASP N 0.000 . 3.300 2.762 2.580 2.884 . 0 0 "[ . 1 . ]" 1
465 1 38 GLY O 1 42 LEU H 0.000 . 2.300 1.965 1.762 2.107 . 0 0 "[ . 1 . ]" 1
466 1 38 GLY O 1 42 LEU N 0.000 . 3.300 2.926 2.727 3.055 . 0 0 "[ . 1 . ]" 1
467 1 39 ILE H 1 40 ASP H 0.000 . 5.000 2.836 2.759 2.898 . 0 0 "[ . 1 . ]" 1
468 1 39 ILE H 1 57 ILE MD 0.000 . 3.500 2.749 2.520 3.096 . 0 0 "[ . 1 . ]" 1
469 1 39 ILE HA 1 40 ASP H 0.000 . 3.500 3.539 3.528 3.549 0.049 8 0 "[ . 1 . ]" 1
470 1 39 ILE HA 1 41 ASP H 0.000 . 5.000 4.381 4.313 4.440 . 0 0 "[ . 1 . ]" 1
471 1 39 ILE HA 1 42 LEU H 0.000 . 3.500 3.377 3.245 3.492 . 0 0 "[ . 1 . ]" 1
472 1 39 ILE HA 1 42 LEU HB3 0.000 . 5.000 4.700 4.393 5.099 0.099 10 0 "[ . 1 . ]" 1
473 1 39 ILE HA 1 42 LEU QD 0.000 . 5.000 3.527 3.242 4.087 . 0 0 "[ . 1 . ]" 1
474 1 39 ILE HA 1 53 ALA MB 0.000 . 3.500 2.029 1.818 2.406 . 0 0 "[ . 1 . ]" 1
475 1 39 ILE HA 1 57 ILE MD 0.000 . 3.500 2.221 1.931 2.814 . 0 0 "[ . 1 . ]" 1
476 1 39 ILE HB 1 40 ASP H 0.000 . 3.500 2.638 2.552 2.703 . 0 0 "[ . 1 . ]" 1
477 1 39 ILE HB 1 57 ILE MD 0.000 . 5.000 4.256 3.997 4.664 . 0 0 "[ . 1 . ]" 1
478 1 39 ILE MD 1 40 ASP H 0.000 . 5.000 4.499 4.443 4.552 . 0 0 "[ . 1 . ]" 1
479 1 39 ILE MD 1 50 ASP QB 0.000 . 5.000 3.641 2.915 4.999 . 0 0 "[ . 1 . ]" 1
480 1 39 ILE MD 1 53 ALA MB 0.000 . 5.000 3.271 2.852 3.512 . 0 0 "[ . 1 . ]" 1
481 1 39 ILE MD 1 54 GLY H 0.000 . 3.500 3.071 2.722 3.487 . 0 0 "[ . 1 . ]" 1
482 1 39 ILE MD 1 54 GLY HA2 0.000 . 3.500 2.609 1.837 3.282 . 0 0 "[ . 1 . ]" 1
483 1 39 ILE MD 1 54 GLY HA3 0.000 . 3.500 2.631 2.052 3.294 . 0 0 "[ . 1 . ]" 1
484 1 39 ILE HG12 1 40 ASP H 0.000 . 5.000 4.995 4.921 5.040 0.040 14 0 "[ . 1 . ]" 1
485 1 39 ILE HG12 1 53 ALA MB 0.000 . 3.500 2.053 1.824 2.207 . 0 0 "[ . 1 . ]" 1
486 1 39 ILE HG12 1 54 GLY HA2 0.000 . 5.000 3.484 2.999 3.977 . 0 0 "[ . 1 . ]" 1
487 1 39 ILE HG12 1 54 GLY HA3 0.000 . 5.000 2.618 2.181 3.092 . 0 0 "[ . 1 . ]" 1
488 1 39 ILE HG12 1 57 ILE MD 0.000 . 5.000 2.955 2.640 3.449 . 0 0 "[ . 1 . ]" 1
489 1 39 ILE HG13 1 40 ASP H 0.000 . 5.000 4.230 4.150 4.314 . 0 0 "[ . 1 . ]" 1
490 1 39 ILE HG13 1 53 ALA MB 0.000 . 3.500 3.439 3.292 3.523 0.023 14 0 "[ . 1 . ]" 1
491 1 39 ILE HG13 1 54 GLY HA2 0.000 . 5.000 4.341 3.697 4.953 . 0 0 "[ . 1 . ]" 1
492 1 39 ILE HG13 1 54 GLY HA3 0.000 . 5.000 3.171 2.494 3.703 . 0 0 "[ . 1 . ]" 1
493 1 39 ILE HG13 1 57 ILE MD 0.000 . 3.500 2.882 2.545 3.369 . 0 0 "[ . 1 . ]" 1
494 1 39 ILE MG 1 40 ASP H 0.000 . 3.500 3.503 3.429 3.537 0.037 18 0 "[ . 1 . ]" 1
495 1 39 ILE MG 1 50 ASP HA 0.000 . 3.500 2.113 1.758 2.679 . 0 0 "[ . 1 . ]" 1
496 1 39 ILE MG 1 54 GLY HA2 0.000 . 5.000 4.419 3.996 4.935 . 0 0 "[ . 1 . ]" 1
497 1 39 ILE MG 1 54 GLY HA3 0.000 . 5.000 4.278 3.933 4.744 . 0 0 "[ . 1 . ]" 1
498 1 40 ASP H 1 41 ASP H 0.000 . 2.700 2.596 2.536 2.703 0.003 9 0 "[ . 1 . ]" 1
499 1 40 ASP H 1 42 LEU H 0.000 . 5.000 3.908 3.833 4.193 . 0 0 "[ . 1 . ]" 1
500 1 40 ASP H 1 57 ILE MD 0.000 . 5.000 4.447 4.206 4.725 . 0 0 "[ . 1 . ]" 1
501 1 40 ASP HA 1 41 ASP H 0.000 . 3.500 3.536 3.528 3.542 0.042 4 0 "[ . 1 . ]" 1
502 1 40 ASP HA 1 42 LEU H 0.000 . 5.000 3.321 3.121 4.397 . 0 0 "[ . 1 . ]" 1
503 1 40 ASP HA 1 43 ALA MB 0.000 . 3.500 2.269 1.974 3.508 0.008 3 0 "[ . 1 . ]" 1
504 1 40 ASP HB2 1 41 ASP H 0.000 . 5.000 2.960 2.676 3.909 . 0 0 "[ . 1 . ]" 1
505 1 40 ASP HB3 1 41 ASP H 0.000 . 5.000 3.467 2.634 3.739 . 0 0 "[ . 1 . ]" 1
506 1 41 ASP H 1 42 LEU H 0.000 . 3.500 2.614 2.521 2.680 . 0 0 "[ . 1 . ]" 1
507 1 41 ASP H 1 57 ILE MD 0.000 . 5.000 4.424 4.197 4.625 . 0 0 "[ . 1 . ]" 1
508 1 41 ASP HA 1 42 LEU H 0.000 . 3.500 3.370 3.314 3.526 0.026 3 0 "[ . 1 . ]" 1
509 1 41 ASP HB2 1 42 LEU H 0.000 . 5.000 2.643 2.407 3.761 . 0 0 "[ . 1 . ]" 1
510 1 41 ASP HB3 1 42 LEU H 0.000 . 5.000 3.381 2.392 3.590 . 0 0 "[ . 1 . ]" 1
511 1 42 LEU H 1 43 ALA H 0.000 . 5.000 2.568 2.377 4.414 . 0 0 "[ . 1 . ]" 1
512 1 42 LEU H 1 57 ILE MD 0.000 . 5.000 3.359 3.065 3.554 . 0 0 "[ . 1 . ]" 1
513 1 42 LEU HA 1 43 ALA H 0.000 . 5.000 3.386 2.198 3.520 . 0 0 "[ . 1 . ]" 1
514 1 42 LEU HA 1 45 ILE MD 0.000 . 3.500 3.449 3.073 3.513 0.013 16 0 "[ . 1 . ]" 1
515 1 42 LEU HA 1 45 ILE HG12 0.000 . 5.000 2.273 1.875 3.349 . 0 0 "[ . 1 . ]" 1
516 1 42 LEU HA 1 45 ILE HG13 0.000 . 5.000 3.196 2.798 4.005 . 0 0 "[ . 1 . ]" 1
517 1 42 LEU HB2 1 43 ALA H 0.000 . 5.000 3.172 2.795 4.347 . 0 0 "[ . 1 . ]" 1
518 1 42 LEU HB3 1 43 ALA H 0.000 . 5.000 3.932 3.444 4.247 . 0 0 "[ . 1 . ]" 1
519 1 42 LEU QD 1 43 ALA H 0.000 . 5.000 3.979 3.735 4.239 . 0 0 "[ . 1 . ]" 1
520 1 42 LEU QD 1 57 ILE MD 0.000 . 3.500 1.907 1.740 2.573 . 0 0 "[ . 1 . ]" 1
521 1 43 ALA H 1 44 ASP H 0.000 . 5.000 2.752 1.828 2.877 . 0 0 "[ . 1 . ]" 1
522 1 43 ALA H 1 45 ILE H 0.000 . 5.000 4.145 2.787 4.266 . 0 0 "[ . 1 . ]" 1
523 1 43 ALA HA 1 44 ASP H 0.000 . 3.500 3.516 3.451 3.530 0.030 3 0 "[ . 1 . ]" 1
524 1 43 ALA MB 1 44 ASP H 0.000 . 3.500 2.737 2.654 2.944 . 0 0 "[ . 1 . ]" 1
525 1 44 ASP H 1 45 ILE H 0.000 . 3.500 2.636 2.575 2.695 . 0 0 "[ . 1 . ]" 1
526 1 44 ASP HA 1 45 ILE H 0.000 . 3.500 3.471 3.218 3.509 0.009 14 0 "[ . 1 . ]" 1
527 1 44 ASP QB 1 45 ILE H 0.000 . 3.500 2.900 2.774 3.506 0.006 3 0 "[ . 1 . ]" 1
528 1 45 ILE H 1 46 GLU H 0.000 . 5.000 4.673 4.613 4.689 . 0 0 "[ . 1 . ]" 1
529 1 45 ILE HA 1 46 GLU H 0.000 . 2.700 2.395 2.342 2.453 . 0 0 "[ . 1 . ]" 1
530 1 45 ILE HB 1 46 GLU H 0.000 . 5.000 3.578 3.414 3.692 . 0 0 "[ . 1 . ]" 1
531 1 45 ILE HB 1 48 LEU HB2 0.000 . 5.000 2.591 2.114 2.888 . 0 0 "[ . 1 . ]" 1
532 1 45 ILE HB 1 48 LEU HB3 0.000 . 5.000 3.136 1.833 3.984 . 0 0 "[ . 1 . ]" 1
533 1 45 ILE HB 1 48 LEU QD 0.000 . 5.000 2.512 1.792 3.666 . 0 0 "[ . 1 . ]" 1
534 1 45 ILE MD 1 46 GLU H 0.000 . 3.500 3.498 3.394 3.550 0.050 19 0 "[ . 1 . ]" 1
535 1 45 ILE HG12 1 46 GLU H 0.000 . 5.000 5.015 4.981 5.053 0.053 18 0 "[ . 1 . ]" 1
536 1 45 ILE HG13 1 46 GLU H 0.000 . 5.000 4.956 4.837 5.036 0.036 11 0 "[ . 1 . ]" 1
537 1 45 ILE MG 1 46 GLU H 0.000 . 3.500 1.849 1.762 1.997 . 0 0 "[ . 1 . ]" 1
538 1 45 ILE MG 1 48 LEU HB2 0.000 . 5.000 3.146 2.650 3.627 . 0 0 "[ . 1 . ]" 1
539 1 45 ILE MG 1 48 LEU HB3 0.000 . 5.000 4.129 3.366 4.821 . 0 0 "[ . 1 . ]" 1
540 1 46 GLU H 1 47 GLY H 0.000 . 5.000 4.538 4.492 4.592 . 0 0 "[ . 1 . ]" 1
541 1 46 GLU H 1 48 LEU H 0.000 . 5.000 4.530 4.332 4.698 . 0 0 "[ . 1 . ]" 1
542 1 46 GLU HA 1 47 GLY H 0.000 . 2.700 2.237 2.198 2.266 . 0 0 "[ . 1 . ]" 1
543 1 46 GLU HB2 1 47 GLY H 0.000 . 5.000 4.224 4.137 4.337 . 0 0 "[ . 1 . ]" 1
544 1 46 GLU HB3 1 47 GLY H 0.000 . 5.000 4.015 3.929 4.165 . 0 0 "[ . 1 . ]" 1
545 1 46 GLU HG2 1 47 GLY H 0.000 . 3.500 2.608 2.405 2.935 . 0 0 "[ . 1 . ]" 1
546 1 46 GLU HG3 1 47 GLY H 0.000 . 3.500 3.017 2.864 3.257 . 0 0 "[ . 1 . ]" 1
547 1 47 GLY H 1 48 LEU H 0.000 . 3.500 2.396 2.293 2.504 . 0 0 "[ . 1 . ]" 1
548 1 47 GLY HA2 1 48 LEU H 0.000 . 5.000 3.330 3.262 3.426 . 0 0 "[ . 1 . ]" 1
549 1 47 GLY HA3 1 48 LEU H 0.000 . 5.000 3.257 3.134 3.322 . 0 0 "[ . 1 . ]" 1
550 1 48 LEU H 1 49 THR H 0.000 . 5.000 4.477 4.388 4.528 . 0 0 "[ . 1 . ]" 1
551 1 48 LEU HA 1 49 THR H 0.000 . 2.700 2.222 2.196 2.269 . 0 0 "[ . 1 . ]" 1
552 1 48 LEU HA 1 53 ALA H 0.000 . 5.000 4.936 4.703 5.029 0.029 4 0 "[ . 1 . ]" 1
553 1 48 LEU HB2 1 49 THR H 0.000 . 5.000 4.326 4.224 4.461 . 0 0 "[ . 1 . ]" 1
554 1 48 LEU HB3 1 49 THR H 0.000 . 5.000 3.691 3.049 4.219 . 0 0 "[ . 1 . ]" 1
555 1 48 LEU QD 1 49 THR H 0.000 . 2.700 2.310 1.801 2.672 . 0 0 "[ . 1 . ]" 1
556 1 48 LEU QD 1 52 LYS QB 0.000 . 5.000 2.271 1.736 2.996 . 0 0 "[ . 1 . ]" 1
557 1 48 LEU QD 1 53 ALA H 0.000 . 3.500 2.846 1.984 3.489 . 0 0 "[ . 1 . ]" 1
558 1 48 LEU QD 1 53 ALA HA 0.000 . 5.000 2.430 1.928 2.999 . 0 0 "[ . 1 . ]" 1
559 1 48 LEU QD 1 53 ALA MB 0.000 . 5.000 2.374 1.557 3.370 . 0 0 "[ . 1 . ]" 1
560 1 49 THR H 1 50 ASP H 0.000 . 5.000 4.539 4.497 4.573 . 0 0 "[ . 1 . ]" 1
561 1 49 THR H 1 52 LYS H 0.000 . 5.000 3.548 3.184 3.807 . 0 0 "[ . 1 . ]" 1
562 1 49 THR H 1 52 LYS QB 0.000 . 3.500 1.819 1.757 1.884 . 0 0 "[ . 1 . ]" 1
563 1 49 THR H 1 52 LYS QD 0.000 . 5.000 2.618 1.933 3.031 . 0 0 "[ . 1 . ]" 1
564 1 49 THR H 1 53 ALA H 0.000 . 3.500 3.386 2.918 3.528 0.028 18 0 "[ . 1 . ]" 1
565 1 49 THR HA 1 50 ASP H 0.000 . 2.700 2.497 2.451 2.603 . 0 0 "[ . 1 . ]" 1
566 1 49 THR HA 1 51 GLU H 0.000 . 5.000 4.507 4.350 4.679 . 0 0 "[ . 1 . ]" 1
567 1 49 THR HB 1 50 ASP H 0.000 . 2.700 2.628 2.564 2.707 0.007 14 0 "[ . 1 . ]" 1
568 1 49 THR HB 1 51 GLU H 0.000 . 5.000 2.539 2.349 2.809 . 0 0 "[ . 1 . ]" 1
569 1 49 THR HB 1 52 LYS H 0.000 . 5.000 2.553 2.325 2.750 . 0 0 "[ . 1 . ]" 1
570 1 49 THR MG 1 50 ASP H 0.000 . 2.700 2.623 2.180 2.701 0.001 1 0 "[ . 1 . ]" 1
571 1 49 THR MG 1 51 GLU H 0.000 . 5.000 3.790 3.447 3.959 . 0 0 "[ . 1 . ]" 1
572 1 49 THR O 1 53 ALA H 0.000 . 2.300 1.785 1.577 1.874 . 0 0 "[ . 1 . ]" 1
573 1 49 THR O 1 53 ALA N 0.000 . 3.300 2.716 2.498 2.799 . 0 0 "[ . 1 . ]" 1
574 1 50 ASP H 1 51 GLU H 0.000 . 3.500 2.722 2.664 2.829 . 0 0 "[ . 1 . ]" 1
575 1 50 ASP H 1 52 LYS H 0.000 . 5.000 4.198 4.000 4.497 . 0 0 "[ . 1 . ]" 1
576 1 50 ASP H 1 53 ALA MB 0.000 . 5.000 4.490 4.163 4.625 . 0 0 "[ . 1 . ]" 1
577 1 50 ASP HA 1 51 GLU H 0.000 . 5.000 3.559 3.533 3.579 . 0 0 "[ . 1 . ]" 1
578 1 50 ASP HA 1 53 ALA H 0.000 . 5.000 3.699 3.598 3.821 . 0 0 "[ . 1 . ]" 1
579 1 50 ASP HA 1 53 ALA MB 0.000 . 3.500 2.699 2.440 2.916 . 0 0 "[ . 1 . ]" 1
580 1 50 ASP HA 1 54 GLY H 0.000 . 5.000 4.262 4.020 4.611 . 0 0 "[ . 1 . ]" 1
581 1 50 ASP QB 1 53 ALA H 0.000 . 5.000 5.002 4.948 5.024 0.024 17 0 "[ . 1 . ]" 1
582 1 51 GLU H 1 52 LYS H 0.000 . 3.500 2.606 2.540 2.699 . 0 0 "[ . 1 . ]" 1
583 1 51 GLU H 1 53 ALA H 0.000 . 5.000 4.023 3.798 4.202 . 0 0 "[ . 1 . ]" 1
584 1 51 GLU HA 1 52 LYS H 0.000 . 5.000 3.568 3.546 3.583 . 0 0 "[ . 1 . ]" 1
585 1 51 GLU HA 1 54 GLY H 0.000 . 5.000 3.428 3.327 3.592 . 0 0 "[ . 1 . ]" 1
586 1 51 GLU HB3 1 52 LYS H 0.000 . 5.000 3.213 2.267 3.679 . 0 0 "[ . 1 . ]" 1
587 1 51 GLU QG 1 52 LYS H 0.000 . 5.000 3.876 3.458 4.070 . 0 0 "[ . 1 . ]" 1
588 1 51 GLU O 1 55 ALA H 0.000 . 2.300 2.271 2.101 2.339 0.039 2 0 "[ . 1 . ]" 1
589 1 51 GLU O 1 55 ALA N 0.000 . 3.300 3.138 2.986 3.206 . 0 0 "[ . 1 . ]" 1
590 1 52 LYS H 1 53 ALA H 0.000 . 2.700 2.690 2.605 2.724 0.024 11 0 "[ . 1 . ]" 1
591 1 52 LYS H 1 54 GLY H 0.000 . 5.000 4.131 4.010 4.321 . 0 0 "[ . 1 . ]" 1
592 1 52 LYS HA 1 53 ALA H 0.000 . 3.500 3.546 3.536 3.555 0.055 19 0 "[ . 1 . ]" 1
593 1 52 LYS QB 1 53 ALA H 0.000 . 5.000 2.522 2.422 2.608 . 0 0 "[ . 1 . ]" 1
594 1 52 LYS HG2 1 53 ALA H 0.000 . 5.000 4.026 3.721 5.009 0.009 2 0 "[ . 1 . ]" 1
595 1 53 ALA H 1 54 GLY H 0.000 . 3.500 2.687 2.572 2.782 . 0 0 "[ . 1 . ]" 1
596 1 53 ALA H 1 55 ALA H 0.000 . 5.000 4.321 3.994 5.023 0.023 9 0 "[ . 1 . ]" 1
597 1 53 ALA HA 1 54 GLY H 0.000 . 5.000 3.547 3.528 3.571 . 0 0 "[ . 1 . ]" 1
598 1 53 ALA HA 1 56 LEU HB2 0.000 . 5.000 2.707 2.358 3.640 . 0 0 "[ . 1 . ]" 1
599 1 53 ALA HA 1 56 LEU HB3 0.000 . 5.000 3.676 2.548 4.220 . 0 0 "[ . 1 . ]" 1
600 1 53 ALA MB 1 54 GLY H 0.000 . 2.700 2.672 2.559 2.718 0.018 16 0 "[ . 1 . ]" 1
601 1 53 ALA MB 1 54 GLY HA2 0.000 . 5.000 4.245 4.135 4.334 . 0 0 "[ . 1 . ]" 1
602 1 53 ALA MB 1 57 ILE MD 0.000 . 3.500 2.573 2.110 3.308 . 0 0 "[ . 1 . ]" 1
603 1 53 ALA O 1 57 ILE H 0.000 . 2.300 1.964 1.759 2.207 . 0 0 "[ . 1 . ]" 1
604 1 53 ALA O 1 57 ILE N 0.000 . 3.300 2.874 2.660 3.152 . 0 0 "[ . 1 . ]" 1
605 1 54 GLY H 1 55 ALA H 0.000 . 3.500 2.745 2.584 3.147 . 0 0 "[ . 1 . ]" 1
606 1 54 GLY HA2 1 55 ALA H 0.000 . 3.500 2.793 2.401 2.964 . 0 0 "[ . 1 . ]" 1
607 1 54 GLY HA2 1 57 ILE HB 0.000 . 5.000 4.877 4.532 5.022 0.022 19 0 "[ . 1 . ]" 1
608 1 54 GLY HA2 1 58 MET H 0.000 . 5.000 4.853 4.321 5.014 0.014 3 0 "[ . 1 . ]" 1
609 1 54 GLY HA2 1 58 MET ME 0.000 . 5.000 4.084 2.811 5.038 0.038 7 0 "[ . 1 . ]" 1
610 1 54 GLY HA3 1 55 ALA H 0.000 . 3.500 3.537 3.506 3.559 0.059 17 0 "[ . 1 . ]" 1
611 1 54 GLY HA3 1 57 ILE H 0.000 . 5.000 4.128 3.725 4.375 . 0 0 "[ . 1 . ]" 1
612 1 54 GLY HA3 1 57 ILE HB 0.000 . 3.500 3.231 2.898 3.410 . 0 0 "[ . 1 . ]" 1
613 1 54 GLY HA3 1 57 ILE MD 0.000 . 5.000 3.703 3.292 4.096 . 0 0 "[ . 1 . ]" 1
614 1 54 GLY HA3 1 58 MET H 0.000 . 5.000 3.879 3.307 4.061 . 0 0 "[ . 1 . ]" 1
615 1 54 GLY HA3 1 58 MET ME 0.000 . 5.000 4.335 3.261 5.082 0.082 12 0 "[ . 1 . ]" 1
616 1 54 GLY O 1 58 MET H 0.000 . 2.300 2.114 1.433 2.336 0.036 8 0 "[ . 1 . ]" 1
617 1 54 GLY O 1 58 MET N 0.000 . 3.300 2.898 2.373 3.111 . 0 0 "[ . 1 . ]" 1
618 1 55 ALA H 1 56 LEU H 0.000 . 3.500 2.691 2.528 3.065 . 0 0 "[ . 1 . ]" 1
619 1 55 ALA H 1 57 ILE H 0.000 . 5.000 4.341 4.026 5.021 0.021 6 0 "[ . 1 . ]" 1
620 1 55 ALA HA 1 56 LEU H 0.000 . 5.000 3.580 3.549 3.593 . 0 0 "[ . 1 . ]" 1
621 1 55 ALA HA 1 58 MET HB2 0.000 . 3.500 2.163 2.081 2.251 . 0 0 "[ . 1 . ]" 1
622 1 55 ALA HA 1 58 MET HB3 0.000 . 3.500 3.519 3.492 3.560 0.060 12 0 "[ . 1 . ]" 1
623 1 55 ALA HA 1 58 MET QG 0.000 . 5.000 3.911 3.273 4.147 . 0 0 "[ . 1 . ]" 1
624 1 55 ALA MB 1 56 LEU H 0.000 . 5.000 2.382 2.163 2.742 . 0 0 "[ . 1 . ]" 1
625 1 55 ALA O 1 59 ALA H 0.000 . 2.300 1.655 1.483 2.129 . 0 0 "[ . 1 . ]" 1
626 1 55 ALA O 1 59 ALA N 0.000 . 3.300 2.500 2.366 2.940 . 0 0 "[ . 1 . ]" 1
627 1 56 LEU H 1 57 ILE H 0.000 . 3.500 2.980 2.864 3.073 . 0 0 "[ . 1 . ]" 1
628 1 56 LEU HA 1 59 ALA MB 0.000 . 3.500 2.655 2.250 3.324 . 0 0 "[ . 1 . ]" 1
629 1 56 LEU HB2 1 57 ILE H 0.000 . 3.500 2.693 2.329 3.542 0.042 8 0 "[ . 1 . ]" 1
630 1 56 LEU HB3 1 57 ILE H 0.000 . 3.500 2.773 1.984 3.186 . 0 0 "[ . 1 . ]" 1
631 1 56 LEU QD 1 57 ILE H 0.000 . 5.000 3.734 3.516 3.919 . 0 0 "[ . 1 . ]" 1
632 1 57 ILE H 1 58 MET H 0.000 . 5.000 2.648 2.574 2.734 . 0 0 "[ . 1 . ]" 1
633 1 57 ILE HA 1 58 MET H 0.000 . 3.500 3.522 3.500 3.540 0.040 18 0 "[ . 1 . ]" 1
634 1 57 ILE HA 1 60 ALA H 0.000 . 5.000 3.530 3.279 3.701 . 0 0 "[ . 1 . ]" 1
635 1 57 ILE HA 1 60 ALA MB 0.000 . 3.500 2.965 2.692 3.240 . 0 0 "[ . 1 . ]" 1
636 1 57 ILE HB 1 58 MET H 0.000 . 5.000 2.734 2.621 2.832 . 0 0 "[ . 1 . ]" 1
637 1 57 ILE MD 1 58 MET H 0.000 . 5.000 4.595 4.439 4.733 . 0 0 "[ . 1 . ]" 1
638 1 57 ILE MD 1 58 MET QG 0.000 . 5.000 4.906 4.699 5.052 0.052 5 0 "[ . 1 . ]" 1
639 1 57 ILE HG12 1 58 MET H 0.000 . 5.000 5.000 4.935 5.036 0.036 4 0 "[ . 1 . ]" 1
640 1 57 ILE HG13 1 58 MET H 0.000 . 5.000 4.238 4.125 4.303 . 0 0 "[ . 1 . ]" 1
641 1 57 ILE MG 1 58 MET H 0.000 . 5.000 3.597 3.500 3.718 . 0 0 "[ . 1 . ]" 1
642 1 57 ILE MG 1 58 MET QG 0.000 . 5.000 3.794 3.516 4.291 . 0 0 "[ . 1 . ]" 1
643 1 57 ILE MG 1 61 ARG QD 0.000 . 5.000 2.249 1.786 2.792 . 0 0 "[ . 1 . ]" 1
644 1 57 ILE MG 1 61 ARG HE 0.000 . 5.000 2.203 1.767 3.758 . 0 0 "[ . 1 . ]" 1
645 1 57 ILE MG 1 61 ARG HG2 0.000 . 5.000 3.547 3.284 3.809 . 0 0 "[ . 1 . ]" 1
646 1 58 MET H 1 59 ALA H 0.000 . 5.000 2.502 2.434 2.669 . 0 0 "[ . 1 . ]" 1
647 1 58 MET HA 1 59 ALA H 0.000 . 3.500 3.515 3.498 3.531 0.031 17 0 "[ . 1 . ]" 1
648 1 58 MET HA 1 61 ARG H 0.000 . 3.500 3.285 3.109 3.440 . 0 0 "[ . 1 . ]" 1
649 1 58 MET HA 1 61 ARG QD 0.000 . 5.000 2.592 2.070 3.176 . 0 0 "[ . 1 . ]" 1
650 1 58 MET HA 1 61 ARG HG2 0.000 . 5.000 4.724 4.391 5.014 0.014 2 0 "[ . 1 . ]" 1
651 1 58 MET HA 1 62 ASN H 0.000 . 3.500 3.512 3.439 3.541 0.041 18 0 "[ . 1 . ]" 1
652 1 58 MET ME 1 61 ARG QD 0.000 . 5.000 4.943 4.075 5.044 0.044 11 0 "[ . 1 . ]" 1
653 1 58 MET ME 1 62 ASN HD21 0.000 . 5.000 4.725 3.900 5.044 0.044 15 0 "[ . 1 . ]" 1
654 1 58 MET ME 1 62 ASN HD22 0.000 . 5.000 3.601 2.468 4.326 . 0 0 "[ . 1 . ]" 1
655 1 58 MET QG 1 59 ALA H 0.000 . 5.000 4.348 4.140 4.443 . 0 0 "[ . 1 . ]" 1
656 1 58 MET QG 1 62 ASN HD21 0.000 . 5.000 4.887 4.717 5.017 0.017 17 0 "[ . 1 . ]" 1
657 1 58 MET QG 1 62 ASN HD22 0.000 . 5.000 3.816 3.572 4.066 . 0 0 "[ . 1 . ]" 1
658 1 59 ALA H 1 60 ALA H 0.000 . 5.000 2.605 2.537 2.664 . 0 0 "[ . 1 . ]" 1
659 1 59 ALA H 1 61 ARG H 0.000 . 5.000 3.976 3.853 4.141 . 0 0 "[ . 1 . ]" 1
660 1 59 ALA HA 1 60 ALA H 0.000 . 3.500 3.541 3.527 3.553 0.053 10 0 "[ . 1 . ]" 1
661 1 59 ALA MB 1 62 ASN HD21 0.000 . 5.000 3.948 3.866 4.064 . 0 0 "[ . 1 . ]" 1
662 1 59 ALA MB 1 62 ASN HD22 0.000 . 5.000 5.011 4.987 5.055 0.055 7 0 "[ . 1 . ]" 1
663 1 59 ALA O 1 63 ILE H 0.000 . 2.300 2.283 2.155 2.319 0.019 18 0 "[ . 1 . ]" 1
664 1 59 ALA O 1 63 ILE N 0.000 . 3.300 3.135 3.007 3.229 . 0 0 "[ . 1 . ]" 1
665 1 60 ALA H 1 61 ARG H 0.000 . 3.500 2.491 2.417 2.566 . 0 0 "[ . 1 . ]" 1
666 1 60 ALA HA 1 61 ARG H 0.000 . 3.500 3.537 3.517 3.554 0.054 7 0 "[ . 1 . ]" 1
667 1 60 ALA HA 1 62 ASN H 0.000 . 5.000 4.494 4.334 4.607 . 0 0 "[ . 1 . ]" 1
668 1 60 ALA HA 1 63 ILE H 0.000 . 3.500 3.430 3.217 3.527 0.027 17 0 "[ . 1 . ]" 1
669 1 60 ALA HA 1 63 ILE HB 0.000 . 3.500 2.808 2.526 2.957 . 0 0 "[ . 1 . ]" 1
670 1 60 ALA HA 1 63 ILE MD 0.000 . 5.000 3.075 2.540 3.453 . 0 0 "[ . 1 . ]" 1
671 1 60 ALA HA 1 63 ILE MG 0.000 . 5.000 4.228 3.945 4.371 . 0 0 "[ . 1 . ]" 1
672 1 60 ALA MB 1 61 ARG H 0.000 . 3.500 2.553 2.399 2.696 . 0 0 "[ . 1 . ]" 1
673 1 60 ALA MB 1 63 ILE H 0.000 . 5.000 4.547 4.345 4.651 . 0 0 "[ . 1 . ]" 1
674 1 60 ALA O 1 64 CYS H 0.000 . 2.300 1.716 1.586 1.944 . 0 0 "[ . 1 . ]" 1
675 1 60 ALA O 1 64 CYS N 0.000 . 3.300 2.628 2.508 2.821 . 0 0 "[ . 1 . ]" 1
676 1 61 ARG H 1 62 ASN H 0.000 . 5.000 2.629 2.593 2.690 . 0 0 "[ . 1 . ]" 1
677 1 61 ARG H 1 63 ILE H 0.000 . 5.000 4.010 3.936 4.141 . 0 0 "[ . 1 . ]" 1
678 1 61 ARG HA 1 62 ASN H 0.000 . 5.000 3.553 3.537 3.571 . 0 0 "[ . 1 . ]" 1
679 1 61 ARG HA 1 64 CYS H 0.000 . 5.000 3.356 3.192 3.499 . 0 0 "[ . 1 . ]" 1
680 1 61 ARG HA 1 65 TRP H 0.000 . 5.000 3.233 2.881 3.626 . 0 0 "[ . 1 . ]" 1
681 1 61 ARG HB2 1 62 ASN H 0.000 . 3.500 2.536 2.499 2.613 . 0 0 "[ . 1 . ]" 1
682 1 61 ARG HB3 1 62 ASN H 0.000 . 3.500 3.515 3.463 3.535 0.035 11 0 "[ . 1 . ]" 1
683 1 61 ARG HG2 1 62 ASN H 0.000 . 5.000 4.982 4.909 5.033 0.033 5 0 "[ . 1 . ]" 1
684 1 61 ARG HG2 1 65 TRP HE3 0.000 . 5.000 4.474 3.311 4.876 . 0 0 "[ . 1 . ]" 1
685 1 61 ARG HG2 1 65 TRP HH2 0.000 . 5.000 3.781 3.169 4.389 . 0 0 "[ . 1 . ]" 1
686 1 61 ARG HG2 1 65 TRP HZ2 0.000 . 5.000 3.533 2.909 4.481 . 0 0 "[ . 1 . ]" 1
687 1 61 ARG HG3 1 62 ASN H 0.000 . 5.000 4.313 4.264 4.401 . 0 0 "[ . 1 . ]" 1
688 1 61 ARG O 1 65 TRP H 0.000 . 2.300 1.599 1.502 1.710 . 0 0 "[ . 1 . ]" 1
689 1 61 ARG O 1 65 TRP N 0.000 . 3.300 2.461 2.392 2.589 . 0 0 "[ . 1 . ]" 1
690 1 62 ASN H 1 63 ILE H 0.000 . 3.500 2.677 2.584 2.762 . 0 0 "[ . 1 . ]" 1
691 1 62 ASN HA 1 63 ILE H 0.000 . 3.500 3.530 3.508 3.553 0.053 1 0 "[ . 1 . ]" 1
692 1 62 ASN HA 1 66 PHE H 0.000 . 5.000 2.762 2.515 3.030 . 0 0 "[ . 1 . ]" 1
693 1 62 ASN HA 1 66 PHE HB2 0.000 . 3.500 2.503 2.107 3.477 . 0 0 "[ . 1 . ]" 1
694 1 62 ASN HA 1 66 PHE HB3 0.000 . 5.000 4.191 3.749 4.678 . 0 0 "[ . 1 . ]" 1
695 1 62 ASN HA 1 66 PHE QD 0.000 . 3.500 2.061 1.883 2.966 . 0 0 "[ . 1 . ]" 1
696 1 62 ASN HA 1 66 PHE QE 0.000 . 5.000 4.181 3.926 4.929 . 0 0 "[ . 1 . ]" 1
697 1 62 ASN QB 1 63 ILE H 0.000 . 5.000 2.646 2.530 2.794 . 0 0 "[ . 1 . ]" 1
698 1 63 ILE H 1 64 CYS H 0.000 . 3.500 2.431 2.294 2.542 . 0 0 "[ . 1 . ]" 1
699 1 63 ILE H 1 65 TRP H 0.000 . 5.000 3.766 3.617 3.900 . 0 0 "[ . 1 . ]" 1
700 1 63 ILE HA 1 64 CYS H 0.000 . 3.500 3.538 3.489 3.555 0.055 8 0 "[ . 1 . ]" 1
701 1 63 ILE HB 1 64 CYS H 0.000 . 3.500 2.674 2.521 2.983 . 0 0 "[ . 1 . ]" 1
702 1 63 ILE MD 1 64 CYS H 0.000 . 5.000 4.540 4.414 4.761 . 0 0 "[ . 1 . ]" 1
703 1 63 ILE HG12 1 64 CYS H 0.000 . 5.000 5.003 4.948 5.144 0.144 12 0 "[ . 1 . ]" 1
704 1 63 ILE MG 1 64 CYS H 0.000 . 5.000 3.504 3.371 3.659 . 0 0 "[ . 1 . ]" 1
705 1 63 ILE MG 1 64 CYS HA 0.000 . 3.500 3.495 3.409 3.537 0.037 4 0 "[ . 1 . ]" 1
706 1 64 CYS H 1 65 TRP H 0.000 . 3.500 2.405 2.126 2.557 . 0 0 "[ . 1 . ]" 1
707 1 64 CYS H 1 65 TRP HD1 0.000 . 5.000 4.702 4.444 4.917 . 0 0 "[ . 1 . ]" 1
708 1 64 CYS H 1 66 PHE H 0.000 . 5.000 5.003 4.873 5.022 0.022 14 0 "[ . 1 . ]" 1
709 1 64 CYS HA 1 65 TRP H 0.000 . 3.500 3.510 3.450 3.544 0.044 17 0 "[ . 1 . ]" 1
710 1 64 CYS HA 1 65 TRP HD1 0.000 . 5.000 4.245 4.035 4.398 . 0 0 "[ . 1 . ]" 1
711 1 64 CYS HB2 1 65 TRP H 0.000 . 3.500 2.999 2.725 3.444 . 0 0 "[ . 1 . ]" 1
712 1 64 CYS HB2 1 65 TRP HD1 0.000 . 5.000 3.596 3.342 3.966 . 0 0 "[ . 1 . ]" 1
713 1 64 CYS HB3 1 65 TRP H 0.000 . 3.500 3.512 3.473 3.545 0.045 15 0 "[ . 1 . ]" 1
714 1 64 CYS HB3 1 65 TRP HD1 0.000 . 5.000 2.701 2.510 2.947 . 0 0 "[ . 1 . ]" 1
715 1 64 CYS HB3 1 65 TRP HE1 0.000 . 5.000 3.527 3.081 3.844 . 0 0 "[ . 1 . ]" 1
716 1 65 TRP H 1 66 PHE H 0.000 . 3.500 2.982 2.821 3.117 . 0 0 "[ . 1 . ]" 1
717 1 65 TRP HA 1 66 PHE H 0.000 . 3.500 3.526 3.500 3.541 0.041 8 0 "[ . 1 . ]" 1
718 1 65 TRP HB2 1 66 PHE H 0.000 . 3.500 1.842 1.795 1.930 . 0 0 "[ . 1 . ]" 1
719 1 65 TRP HB2 1 67 GLY H 0.000 . 5.000 4.180 4.091 4.406 . 0 0 "[ . 1 . ]" 1
720 1 65 TRP HB3 1 66 PHE H 0.000 . 3.500 2.622 2.443 2.813 . 0 0 "[ . 1 . ]" 1
721 1 65 TRP HB3 1 67 GLY H 0.000 . 5.000 4.954 3.709 5.048 0.048 18 0 "[ . 1 . ]" 1
722 1 66 PHE H 1 67 GLY H 0.000 . 3.500 2.862 2.721 3.474 . 0 0 "[ . 1 . ]" 1
723 1 66 PHE HA 1 67 GLY H 0.000 . 3.500 3.538 3.523 3.564 0.064 8 0 "[ . 1 . ]" 1
724 1 66 PHE HB2 1 67 GLY H 0.000 . 3.500 2.690 2.535 3.498 . 0 0 "[ . 1 . ]" 1
725 1 66 PHE HB3 1 67 GLY H 0.000 . 3.500 3.454 2.239 3.542 0.042 13 0 "[ . 1 . ]" 1
726 1 67 GLY H 1 68 ASP H 0.000 . 5.000 4.248 2.488 4.642 . 0 0 "[ . 1 . ]" 1
727 1 67 GLY QA 1 68 ASP H 0.000 . 5.000 2.321 2.158 2.844 . 0 0 "[ . 1 . ]" 1
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