NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
383213 |
1jw2   |
5166 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jw2
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 667
_Distance_constraint_stats_list.Viol_count 573
_Distance_constraint_stats_list.Viol_total 228.788
_Distance_constraint_stats_list.Viol_max 0.277
_Distance_constraint_stats_list.Viol_rms 0.0190
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.0399
_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 MET 0.005 0.005 4 0 "[ . 1]"
1 2 SER 0.000 0.000 . 0 "[ . 1]"
1 3 GLU 0.242 0.055 1 0 "[ . 1]"
1 4 LYS 0.081 0.026 4 0 "[ . 1]"
1 5 PRO 0.208 0.055 1 0 "[ . 1]"
1 6 LEU 0.346 0.141 1 0 "[ . 1]"
1 7 THR 0.319 0.076 1 0 "[ . 1]"
1 8 LYS 0.054 0.022 4 0 "[ . 1]"
1 9 THR 0.198 0.049 7 0 "[ . 1]"
1 10 ASP 0.155 0.076 1 0 "[ . 1]"
1 11 TYR 0.060 0.016 9 0 "[ . 1]"
1 12 LEU 0.480 0.059 3 0 "[ . 1]"
1 13 MET 0.132 0.035 6 0 "[ . 1]"
1 14 ARG 0.058 0.035 6 0 "[ . 1]"
1 15 LEU 0.104 0.026 3 0 "[ . 1]"
1 16 ARG 0.065 0.021 3 0 "[ . 1]"
1 17 ARG 0.002 0.002 6 0 "[ . 1]"
1 18 CYS 0.104 0.041 9 0 "[ . 1]"
1 19 GLN 0.187 0.031 6 0 "[ . 1]"
1 20 THR 0.537 0.198 9 0 "[ . 1]"
1 21 ILE 0.386 0.052 10 0 "[ . 1]"
1 22 ASP 0.342 0.052 10 0 "[ . 1]"
1 23 THR 0.581 0.094 9 0 "[ . 1]"
1 24 LEU 1.492 0.115 10 0 "[ . 1]"
1 25 GLU 0.762 0.092 8 0 "[ . 1]"
1 26 ARG 0.402 0.200 10 0 "[ . 1]"
1 27 VAL 1.780 0.200 10 0 "[ . 1]"
1 28 ILE 0.182 0.027 10 0 "[ . 1]"
1 29 GLU 0.582 0.057 10 0 "[ . 1]"
1 30 LYS 0.052 0.049 10 0 "[ . 1]"
1 31 ASN 0.377 0.119 10 0 "[ . 1]"
1 32 LYS 0.330 0.057 10 0 "[ . 1]"
1 33 TYR 0.005 0.005 1 0 "[ . 1]"
1 34 GLU 0.000 0.000 . 0 "[ . 1]"
1 35 LEU 7.727 0.277 9 0 "[ . 1]"
1 36 SER 2.545 0.237 9 0 "[ . 1]"
1 37 ASP 0.071 0.020 10 0 "[ . 1]"
1 38 ASN 0.803 0.087 8 0 "[ . 1]"
1 39 GLU 5.253 0.277 9 0 "[ . 1]"
1 40 LEU 1.504 0.133 5 0 "[ . 1]"
1 41 ALA 0.052 0.020 5 0 "[ . 1]"
1 42 VAL 0.601 0.059 3 0 "[ . 1]"
1 43 PHE 1.877 0.133 5 0 "[ . 1]"
1 44 TYR 0.057 0.020 5 0 "[ . 1]"
1 45 SER 0.000 0.000 . 0 "[ . 1]"
1 46 ALA 0.112 0.032 8 0 "[ . 1]"
1 47 ALA 0.097 0.032 8 0 "[ . 1]"
1 48 ASP 0.340 0.110 5 0 "[ . 1]"
1 49 HIS 0.344 0.059 3 0 "[ . 1]"
1 50 ARG 0.363 0.208 5 0 "[ . 1]"
1 51 LEU 0.786 0.208 5 0 "[ . 1]"
1 52 ALA 0.323 0.080 2 0 "[ . 1]"
1 53 GLU 0.717 0.122 6 0 "[ . 1]"
1 54 LEU 0.188 0.043 5 0 "[ . 1]"
1 55 THR 0.150 0.029 10 0 "[ . 1]"
1 56 MET 0.897 0.135 1 0 "[ . 1]"
1 57 ASN 0.722 0.135 1 0 "[ . 1]"
1 58 LYS 0.639 0.061 1 0 "[ . 1]"
1 59 LEU 1.399 0.122 6 0 "[ . 1]"
1 60 TYR 1.867 0.270 8 0 "[ . 1]"
1 61 ASP 0.000 0.000 . 0 "[ . 1]"
1 62 LYS 0.000 0.000 . 0 "[ . 1]"
1 63 ILE 2.586 0.270 8 0 "[ . 1]"
1 64 PRO 0.071 0.017 2 0 "[ . 1]"
1 66 SER 0.021 0.020 6 0 "[ . 1]"
1 67 VAL 0.079 0.019 3 0 "[ . 1]"
1 68 TRP 0.603 0.110 1 0 "[ . 1]"
1 69 LYS 0.256 0.060 4 0 "[ . 1]"
1 70 PHE 0.000 0.000 . 0 "[ . 1]"
1 71 ILE 0.309 0.100 2 0 "[ . 1]"
1 72 ARG 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 MET QB 1 2 SER H 4.000 . 5.000 2.883 1.988 3.907 . 0 0 "[ . 1]" 1
2 1 1 MET QB 1 3 GLU H 4.000 . 5.000 4.492 4.028 5.005 0.005 4 0 "[ . 1]" 1
3 1 2 SER HA 1 3 GLU H 4.000 . 5.000 2.962 2.139 3.566 . 0 0 "[ . 1]" 1
4 1 3 GLU H 1 7 THR H 4.000 . 5.000 4.995 4.850 5.052 0.052 6 0 "[ . 1]" 1
5 1 3 GLU QG 1 5 PRO HA 4.000 . 5.000 4.898 4.580 5.055 0.055 1 0 "[ . 1]" 1
6 1 4 LYS HA 1 5 PRO QD 3.000 . 3.500 3.263 2.158 3.526 0.026 4 0 "[ . 1]" 1
7 1 4 LYS QB 1 5 PRO HA 4.000 . 5.000 3.958 3.769 4.474 . 0 0 "[ . 1]" 1
8 1 4 LYS QB 1 5 PRO QD 4.000 . 5.000 1.883 1.829 1.950 . 0 0 "[ . 1]" 1
9 1 5 PRO HA 1 6 LEU H 3.000 . 3.500 2.837 2.438 3.537 0.037 9 0 "[ . 1]" 1
10 1 6 LEU H 1 6 LEU HB2 4.000 . 5.000 3.144 2.452 3.734 . 0 0 "[ . 1]" 1
11 1 6 LEU H 1 6 LEU HB3 4.000 . 5.000 3.817 2.670 4.086 . 0 0 "[ . 1]" 1
12 1 6 LEU H 1 6 LEU MD1 4.000 . 5.000 3.557 2.736 4.467 . 0 0 "[ . 1]" 1
13 1 6 LEU H 1 6 LEU MD2 4.000 . 5.000 2.638 2.057 4.427 . 0 0 "[ . 1]" 1
14 1 6 LEU H 1 6 LEU HG 4.000 . 5.000 4.195 2.970 4.780 . 0 0 "[ . 1]" 1
15 1 6 LEU HA 1 6 LEU MD1 3.000 . 3.500 2.459 1.938 3.641 0.141 1 0 "[ . 1]" 1
16 1 6 LEU HA 1 6 LEU MD2 3.000 . 3.500 2.717 1.899 3.330 . 0 0 "[ . 1]" 1
17 1 6 LEU HA 1 6 LEU HG 4.000 . 5.000 3.576 2.582 3.745 . 0 0 "[ . 1]" 1
18 1 6 LEU HA 1 7 THR H 3.000 . 3.500 2.437 2.139 3.545 0.045 4 0 "[ . 1]" 1
19 1 6 LEU HB3 1 7 THR H 4.000 . 5.000 2.954 1.796 4.097 0.004 4 0 "[ . 1]" 1
20 1 6 LEU HB3 1 10 ASP HB2 . . 3.500 2.828 1.984 3.503 0.003 10 0 "[ . 1]" 1
21 1 6 LEU HB3 1 10 ASP HB3 3.000 . 3.500 2.782 2.240 3.505 0.005 10 0 "[ . 1]" 1
22 1 6 LEU MD1 1 7 THR H 4.000 . 5.000 3.494 2.523 4.308 . 0 0 "[ . 1]" 1
23 1 6 LEU MD1 1 10 ASP HB2 3.000 . 3.500 2.997 2.094 3.537 0.037 1 0 "[ . 1]" 1
24 1 6 LEU MD1 1 10 ASP HB3 3.000 . 3.500 2.347 1.826 3.496 . 0 0 "[ . 1]" 1
25 1 6 LEU MD2 1 10 ASP HB3 4.000 . 5.000 4.176 2.027 5.035 0.035 4 0 "[ . 1]" 1
26 1 7 THR H 1 7 THR HA 3.000 . 3.500 2.917 2.893 2.946 . 0 0 "[ . 1]" 1
27 1 7 THR H 1 7 THR MG 3.000 . 3.500 3.195 2.484 3.515 0.015 7 0 "[ . 1]" 1
28 1 7 THR H 1 10 ASP HB2 3.000 . 3.500 2.127 1.924 2.833 . 0 0 "[ . 1]" 1
29 1 7 THR H 1 10 ASP HB3 3.000 . 3.500 3.182 2.020 3.576 0.076 1 0 "[ . 1]" 1
30 1 7 THR HA 1 7 THR MG 3.000 . 3.500 2.191 2.045 2.417 . 0 0 "[ . 1]" 1
31 1 7 THR HA 1 8 LYS H 4.000 . 5.000 2.540 2.404 2.586 . 0 0 "[ . 1]" 1
32 1 7 THR HA 1 10 ASP H 4.000 . 5.000 4.499 4.410 4.646 . 0 0 "[ . 1]" 1
33 1 7 THR HA 1 42 VAL MG1 3.000 . 3.500 3.458 3.286 3.516 0.016 7 0 "[ . 1]" 1
34 1 7 THR MG 1 8 LYS H 4.000 . 5.000 3.118 2.702 3.599 . 0 0 "[ . 1]" 1
35 1 7 THR MG 1 9 THR H 4.000 . 5.000 4.117 3.722 4.323 . 0 0 "[ . 1]" 1
36 1 7 THR MG 1 10 ASP H 4.000 . 5.000 4.507 4.201 4.704 . 0 0 "[ . 1]" 1
37 1 8 LYS H 1 8 LYS HB2 4.000 . 5.000 2.709 2.062 3.586 . 0 0 "[ . 1]" 1
38 1 8 LYS H 1 8 LYS HB3 4.000 . 5.000 3.235 2.636 3.587 . 0 0 "[ . 1]" 1
39 1 8 LYS H 1 8 LYS QE 4.000 . 5.000 4.177 2.269 4.983 . 0 0 "[ . 1]" 1
40 1 8 LYS H 1 8 LYS HG3 4.000 . 5.000 3.185 2.012 4.151 . 0 0 "[ . 1]" 1
41 1 8 LYS H 1 9 THR H 3.000 . 3.500 2.710 2.614 2.815 . 0 0 "[ . 1]" 1
42 1 8 LYS H 1 10 ASP H 4.000 . 5.000 4.157 4.050 4.259 . 0 0 "[ . 1]" 1
43 1 8 LYS HA 1 8 LYS QE 4.000 . 5.000 4.343 3.447 4.776 . 0 0 "[ . 1]" 1
44 1 8 LYS HA 1 8 LYS HG2 4.000 . 5.000 3.159 2.406 3.806 . 0 0 "[ . 1]" 1
45 1 8 LYS HA 1 8 LYS HG3 4.000 . 5.000 3.134 2.054 4.203 . 0 0 "[ . 1]" 1
46 1 8 LYS HA 1 9 THR H 3.000 . 3.500 3.498 3.471 3.522 0.022 4 0 "[ . 1]" 1
47 1 8 LYS HA 1 10 ASP H 4.000 . 5.000 4.367 4.231 4.502 . 0 0 "[ . 1]" 1
48 1 8 LYS HA 1 11 TYR H 4.000 . 5.000 3.940 3.774 4.198 . 0 0 "[ . 1]" 1
49 1 8 LYS HB2 1 9 THR H 4.000 . 5.000 3.223 2.649 3.769 . 0 0 "[ . 1]" 1
50 1 8 LYS HG3 1 9 THR H 4.000 . 5.000 4.208 2.141 4.953 . 0 0 "[ . 1]" 1
51 1 9 THR H 1 9 THR HB 3.000 . 3.500 3.122 2.596 3.484 . 0 0 "[ . 1]" 1
52 1 9 THR H 1 9 THR MG 3.000 . 3.500 2.847 1.977 3.549 0.049 7 0 "[ . 1]" 1
53 1 9 THR H 1 10 ASP H 3.000 . 3.500 2.452 2.412 2.636 . 0 0 "[ . 1]" 1
54 1 9 THR HA 1 9 THR HB 3.000 . 3.500 2.682 2.461 2.933 . 0 0 "[ . 1]" 1
55 1 9 THR HA 1 9 THR MG 3.000 . 3.500 2.491 2.012 3.227 . 0 0 "[ . 1]" 1
56 1 9 THR HA 1 10 ASP H 4.000 . 5.000 3.507 3.485 3.542 . 0 0 "[ . 1]" 1
57 1 9 THR HA 1 12 LEU HB2 3.000 . 3.500 3.282 2.041 3.508 0.008 9 0 "[ . 1]" 1
58 1 9 THR HA 1 12 LEU MD1 4.000 . 5.000 3.791 1.955 4.863 . 0 0 "[ . 1]" 1
59 1 9 THR HB 1 10 ASP H 4.000 . 5.000 3.475 2.715 3.959 . 0 0 "[ . 1]" 1
60 1 9 THR MG 1 10 ASP H 4.000 . 5.000 3.590 2.024 4.305 . 0 0 "[ . 1]" 1
61 1 9 THR MG 1 13 MET QG 3.000 . 3.500 3.404 3.093 3.516 0.016 7 0 "[ . 1]" 1
62 1 10 ASP H 1 10 ASP HB2 4.000 . 5.000 2.277 2.090 2.512 . 0 0 "[ . 1]" 1
63 1 10 ASP H 1 10 ASP HB3 4.000 . 5.000 3.380 2.553 3.586 . 0 0 "[ . 1]" 1
64 1 10 ASP H 1 11 TYR H 4.000 . 5.000 2.831 2.764 2.914 . 0 0 "[ . 1]" 1
65 1 10 ASP HB2 1 11 TYR H 4.000 . 5.000 2.812 2.446 3.804 . 0 0 "[ . 1]" 1
66 1 10 ASP HB3 1 11 TYR H 4.000 . 5.000 3.022 2.429 3.469 . 0 0 "[ . 1]" 1
67 1 11 TYR H 1 11 TYR HB2 4.000 . 5.000 2.159 2.097 2.253 . 0 0 "[ . 1]" 1
68 1 11 TYR H 1 12 LEU H 4.000 . 5.000 2.540 2.475 2.698 . 0 0 "[ . 1]" 1
69 1 11 TYR HA 1 12 LEU H 4.000 . 5.000 3.540 3.517 3.561 . 0 0 "[ . 1]" 1
70 1 11 TYR HA 1 14 ARG H 4.000 . 5.000 3.385 3.299 3.546 . 0 0 "[ . 1]" 1
71 1 11 TYR HA 1 14 ARG HB2 3.000 . 3.500 2.896 2.372 3.505 0.005 3 0 "[ . 1]" 1
72 1 11 TYR HB2 1 11 TYR QE 4.000 . 5.000 4.455 4.383 4.508 . 0 0 "[ . 1]" 1
73 1 11 TYR HB2 1 12 LEU H 4.000 . 5.000 2.860 2.690 3.202 . 0 0 "[ . 1]" 1
74 1 11 TYR HB2 1 15 LEU MD1 4.000 . 5.000 4.863 4.164 5.016 0.016 9 0 "[ . 1]" 1
75 1 11 TYR HB2 1 46 ALA MB 3.000 . 3.500 3.408 3.305 3.513 0.013 4 0 "[ . 1]" 1
76 1 11 TYR HB3 1 12 LEU H 4.000 . 5.000 3.123 2.793 3.471 . 0 0 "[ . 1]" 1
77 1 11 TYR HB3 1 15 LEU MD1 4.000 . 5.000 3.407 2.682 3.675 . 0 0 "[ . 1]" 1
78 1 11 TYR HB3 1 46 ALA MB 3.000 . 3.500 2.719 2.525 3.022 . 0 0 "[ . 1]" 1
79 1 11 TYR QD 1 42 VAL MG1 4.000 . 5.000 2.405 1.889 3.057 . 0 0 "[ . 1]" 1
80 1 11 TYR QD 1 46 ALA MB 4.000 . 5.000 3.957 3.475 4.270 . 0 0 "[ . 1]" 1
81 1 11 TYR QE 1 42 VAL HB 4.000 . 5.000 4.136 3.344 4.509 . 0 0 "[ . 1]" 1
82 1 11 TYR QE 1 42 VAL MG1 4.000 . 5.000 3.895 3.585 4.271 . 0 0 "[ . 1]" 1
83 1 12 LEU H 1 12 LEU HB2 4.000 . 5.000 2.445 2.126 2.576 . 0 0 "[ . 1]" 1
84 1 12 LEU H 1 12 LEU HB3 4.000 . 5.000 2.665 2.437 3.549 . 0 0 "[ . 1]" 1
85 1 12 LEU H 1 12 LEU MD1 4.000 . 5.000 4.021 3.411 4.189 . 0 0 "[ . 1]" 1
86 1 12 LEU H 1 12 LEU MD2 4.000 . 5.000 4.134 3.916 4.266 . 0 0 "[ . 1]" 1
87 1 12 LEU H 1 12 LEU HG 4.000 . 5.000 4.256 2.682 4.604 . 0 0 "[ . 1]" 1
88 1 12 LEU H 1 13 MET H 4.000 . 5.000 2.807 2.756 2.857 . 0 0 "[ . 1]" 1
89 1 12 LEU H 1 42 VAL MG1 3.000 . 3.500 3.540 3.515 3.559 0.059 3 0 "[ . 1]" 1
90 1 12 LEU H 1 46 ALA MB 3.000 . 3.500 2.760 2.597 3.089 . 0 0 "[ . 1]" 1
91 1 12 LEU HA 1 12 LEU MD1 4.000 . 5.000 3.046 1.976 3.825 . 0 0 "[ . 1]" 1
92 1 12 LEU HA 1 12 LEU MD2 4.000 . 5.000 2.910 1.934 3.951 . 0 0 "[ . 1]" 1
93 1 12 LEU HA 1 12 LEU HG 4.000 . 5.000 3.069 2.382 3.725 . 0 0 "[ . 1]" 1
94 1 12 LEU HA 1 15 LEU HB2 3.000 . 3.500 2.833 2.166 3.503 0.003 6 0 "[ . 1]" 1
95 1 12 LEU HA 1 15 LEU HB3 3.000 . 3.500 3.411 3.224 3.507 0.007 4 0 "[ . 1]" 1
96 1 12 LEU HA 1 15 LEU MD2 4.000 . 5.000 4.499 4.271 4.700 . 0 0 "[ . 1]" 1
97 1 12 LEU HB2 1 13 MET H 4.000 . 5.000 3.708 2.617 3.964 . 0 0 "[ . 1]" 1
98 1 12 LEU HB3 1 13 MET H 4.000 . 5.000 2.648 2.483 3.247 . 0 0 "[ . 1]" 1
99 1 12 LEU MD1 1 13 MET ME 4.000 . 5.000 4.992 4.917 5.014 0.014 6 0 "[ . 1]" 1
100 1 13 MET H 1 13 MET HB2 4.000 . 5.000 2.742 2.198 3.604 . 0 0 "[ . 1]" 1
101 1 13 MET H 1 13 MET HB3 4.000 . 5.000 3.279 2.516 3.620 . 0 0 "[ . 1]" 1
102 1 13 MET H 1 13 MET ME 4.000 . 5.000 4.015 3.166 4.556 . 0 0 "[ . 1]" 1
103 1 13 MET H 1 13 MET HG2 4.000 . 5.000 2.807 2.567 3.393 . 0 0 "[ . 1]" 1
104 1 13 MET H 1 13 MET HG3 4.000 . 5.000 2.949 2.051 3.622 . 0 0 "[ . 1]" 1
105 1 13 MET H 1 14 ARG H 4.000 . 5.000 2.575 2.471 2.714 . 0 0 "[ . 1]" 1
106 1 13 MET HA 1 13 MET HG3 4.000 . 5.000 3.593 3.110 3.724 . 0 0 "[ . 1]" 1
107 1 13 MET HA 1 14 ARG H 4.000 . 5.000 3.526 3.490 3.551 . 0 0 "[ . 1]" 1
108 1 13 MET ME 1 14 ARG HA 4.000 . 5.000 4.422 1.974 5.035 0.035 6 0 "[ . 1]" 1
109 1 14 ARG H 1 14 ARG HB2 4.000 . 5.000 2.264 2.089 2.613 . 0 0 "[ . 1]" 1
110 1 14 ARG H 1 14 ARG HB3 4.000 . 5.000 3.143 2.502 3.581 . 0 0 "[ . 1]" 1
111 1 14 ARG H 1 14 ARG HG2 4.000 . 5.000 4.097 2.376 4.671 . 0 0 "[ . 1]" 1
112 1 14 ARG H 1 14 ARG HG3 4.000 . 5.000 3.857 2.925 4.453 . 0 0 "[ . 1]" 1
113 1 14 ARG H 1 15 LEU H 4.000 . 5.000 2.518 2.424 2.672 . 0 0 "[ . 1]" 1
114 1 14 ARG HA 1 15 LEU H 4.000 . 5.000 3.488 3.453 3.530 . 0 0 "[ . 1]" 1
115 1 14 ARG HA 1 17 ARG QD 3.000 . 3.500 2.952 2.110 3.502 0.002 6 0 "[ . 1]" 1
116 1 14 ARG HB3 1 15 LEU H 4.000 . 5.000 3.236 2.700 3.640 . 0 0 "[ . 1]" 1
117 1 15 LEU H 1 15 LEU HB2 4.000 . 5.000 2.158 2.056 2.329 . 0 0 "[ . 1]" 1
118 1 15 LEU H 1 15 LEU HB3 4.000 . 5.000 2.988 2.726 3.335 . 0 0 "[ . 1]" 1
119 1 15 LEU H 1 15 LEU MD1 4.000 . 5.000 3.824 3.506 4.017 . 0 0 "[ . 1]" 1
120 1 15 LEU H 1 15 LEU MD2 4.000 . 5.000 4.358 4.175 4.425 . 0 0 "[ . 1]" 1
121 1 15 LEU H 1 15 LEU HG 4.000 . 5.000 4.077 3.490 4.384 . 0 0 "[ . 1]" 1
122 1 15 LEU HA 1 15 LEU MD1 4.000 . 5.000 3.468 3.246 3.759 . 0 0 "[ . 1]" 1
123 1 15 LEU HA 1 15 LEU MD2 4.000 . 5.000 3.059 2.163 3.480 . 0 0 "[ . 1]" 1
124 1 15 LEU HB2 1 16 ARG H 4.000 . 5.000 3.389 3.038 3.610 . 0 0 "[ . 1]" 1
125 1 15 LEU MD1 1 24 LEU MD2 4.000 . 5.000 3.433 2.700 4.152 . 0 0 "[ . 1]" 1
126 1 15 LEU MD1 1 43 PHE QD 4.000 . 5.000 3.229 2.412 3.739 . 0 0 "[ . 1]" 1
127 1 15 LEU MD1 1 43 PHE QE 4.000 . 5.000 2.780 1.979 3.672 . 0 0 "[ . 1]" 1
128 1 15 LEU MD1 1 46 ALA MB 3.000 . 3.500 2.191 1.800 2.987 . 0 0 "[ . 1]" 1
129 1 15 LEU MD1 1 47 ALA H 4.000 . 5.000 3.268 2.835 4.028 . 0 0 "[ . 1]" 1
130 1 15 LEU MD1 1 47 ALA HA 4.000 . 5.000 2.636 1.948 3.299 . 0 0 "[ . 1]" 1
131 1 15 LEU MD1 1 47 ALA MB 4.000 . 5.000 2.768 2.320 3.403 . 0 0 "[ . 1]" 1
132 1 15 LEU MD2 1 18 CYS H 4.000 . 5.000 4.930 4.564 5.026 0.026 3 0 "[ . 1]" 1
133 1 15 LEU MD2 1 43 PHE QE 4.000 . 5.000 4.196 2.514 4.963 . 0 0 "[ . 1]" 1
134 1 16 ARG H 1 17 ARG H 4.000 . 5.000 2.567 2.463 2.654 . 0 0 "[ . 1]" 1
135 1 16 ARG HA 1 18 CYS H 4.000 . 5.000 3.613 3.491 4.057 . 0 0 "[ . 1]" 1
136 1 16 ARG HA 1 21 ILE MD 4.000 . 5.000 4.993 4.899 5.021 0.021 3 0 "[ . 1]" 1
137 1 17 ARG H 1 17 ARG HB2 4.000 . 5.000 2.191 2.062 2.391 . 0 0 "[ . 1]" 1
138 1 17 ARG H 1 17 ARG HB3 4.000 . 5.000 3.045 2.651 3.565 . 0 0 "[ . 1]" 1
139 1 17 ARG H 1 17 ARG QD 4.000 . 5.000 4.203 3.465 4.553 . 0 0 "[ . 1]" 1
140 1 17 ARG H 1 17 ARG QG 4.000 . 5.000 3.636 2.544 3.948 . 0 0 "[ . 1]" 1
141 1 17 ARG H 1 18 CYS H 4.000 . 5.000 2.749 2.718 2.861 . 0 0 "[ . 1]" 1
142 1 17 ARG HA 1 17 ARG QD 4.000 . 5.000 3.737 2.777 4.125 . 0 0 "[ . 1]" 1
143 1 17 ARG HA 1 18 CYS H 4.000 . 5.000 3.475 3.449 3.559 . 0 0 "[ . 1]" 1
144 1 17 ARG HB2 1 18 CYS H 4.000 . 5.000 3.655 3.043 4.061 . 0 0 "[ . 1]" 1
145 1 18 CYS H 1 18 CYS HB2 4.000 . 5.000 2.416 2.066 3.588 . 0 0 "[ . 1]" 1
146 1 18 CYS H 1 18 CYS HB3 4.000 . 5.000 2.992 2.432 3.459 . 0 0 "[ . 1]" 1
147 1 18 CYS HB2 1 23 THR MG 4.000 . 5.000 4.534 3.712 5.041 0.041 9 0 "[ . 1]" 1
148 1 18 CYS HB2 1 24 LEU MD2 4.000 . 5.000 3.497 2.830 5.002 0.002 5 0 "[ . 1]" 1
149 1 18 CYS HB3 1 23 THR MG 4.000 . 5.000 4.388 3.346 5.009 0.009 9 0 "[ . 1]" 1
150 1 18 CYS HB3 1 24 LEU MD2 4.000 . 5.000 4.036 2.461 4.548 . 0 0 "[ . 1]" 1
151 1 19 GLN HA 1 19 GLN HG2 4.000 . 5.000 3.487 2.482 3.878 . 0 0 "[ . 1]" 1
152 1 19 GLN HA 1 19 GLN HG3 4.000 . 5.000 2.992 2.133 3.713 . 0 0 "[ . 1]" 1
153 1 19 GLN HA 1 20 THR H 3.000 . 3.500 3.518 3.492 3.531 0.031 6 0 "[ . 1]" 1
154 1 19 GLN QB 1 20 THR H 4.000 . 5.000 2.963 2.552 3.460 . 0 0 "[ . 1]" 1
155 1 19 GLN HG3 1 20 THR H 4.000 . 5.000 3.532 1.954 4.875 . 0 0 "[ . 1]" 1
156 1 20 THR H 1 20 THR HA 3.000 . 3.500 2.923 2.897 2.945 . 0 0 "[ . 1]" 1
157 1 20 THR H 1 20 THR HB 4.000 . 5.000 3.146 2.357 3.459 . 0 0 "[ . 1]" 1
158 1 20 THR H 1 20 THR MG 3.000 . 3.500 2.546 2.217 3.698 0.198 9 0 "[ . 1]" 1
159 1 20 THR HA 1 20 THR MG 3.000 . 3.500 3.153 2.592 3.223 . 0 0 "[ . 1]" 1
160 1 20 THR HA 1 21 ILE H 3.000 . 3.500 2.334 2.244 2.427 . 0 0 "[ . 1]" 1
161 1 20 THR HB 1 21 ILE H 4.000 . 5.000 3.905 3.698 4.060 . 0 0 "[ . 1]" 1
162 1 20 THR MG 1 21 ILE H 4.000 . 5.000 3.405 2.335 3.644 . 0 0 "[ . 1]" 1
163 1 20 THR MG 1 22 ASP H 4.000 . 5.000 2.862 1.962 3.190 . 0 0 "[ . 1]" 1
164 1 20 THR MG 1 25 GLU H 4.000 . 5.000 5.010 4.943 5.054 0.054 10 0 "[ . 1]" 1
165 1 21 ILE H 1 21 ILE HB 3.000 . 3.500 2.507 2.395 2.594 . 0 0 "[ . 1]" 1
166 1 21 ILE H 1 21 ILE HG13 4.000 . 5.000 3.606 3.397 3.703 . 0 0 "[ . 1]" 1
167 1 21 ILE H 1 21 ILE MG 4.000 . 5.000 3.763 3.742 3.777 . 0 0 "[ . 1]" 1
168 1 21 ILE H 1 22 ASP H 4.000 . 5.000 2.521 2.468 2.637 . 0 0 "[ . 1]" 1
169 1 21 ILE HA 1 21 ILE MD 4.000 . 5.000 2.335 1.944 3.052 . 0 0 "[ . 1]" 1
170 1 21 ILE HA 1 21 ILE HG12 4.000 . 5.000 3.291 3.054 3.643 . 0 0 "[ . 1]" 1
171 1 21 ILE HA 1 21 ILE HG13 4.000 . 5.000 3.316 2.347 3.747 . 0 0 "[ . 1]" 1
172 1 21 ILE HA 1 21 ILE MG 3.000 . 3.500 2.401 2.334 2.474 . 0 0 "[ . 1]" 1
173 1 21 ILE HA 1 22 ASP H 4.000 . 5.000 3.521 3.489 3.555 . 0 0 "[ . 1]" 1
174 1 21 ILE HA 1 24 LEU H 3.000 . 3.500 3.320 3.129 3.459 . 0 0 "[ . 1]" 1
175 1 21 ILE HA 1 24 LEU HB2 3.000 . 3.500 2.890 2.198 3.526 0.026 9 0 "[ . 1]" 1
176 1 21 ILE HA 1 24 LEU HB3 3.000 . 3.500 2.612 2.050 3.502 0.002 10 0 "[ . 1]" 1
177 1 21 ILE HA 1 54 LEU MD2 4.000 . 5.000 4.763 4.214 5.021 0.021 3 0 "[ . 1]" 1
178 1 21 ILE HB 1 22 ASP H 3.000 . 3.500 2.725 2.516 2.950 . 0 0 "[ . 1]" 1
179 1 21 ILE MG 1 22 ASP H 3.000 . 3.500 3.524 3.507 3.552 0.052 10 0 "[ . 1]" 1
180 1 21 ILE MG 1 22 ASP HA 4.000 . 5.000 3.505 3.417 3.576 . 0 0 "[ . 1]" 1
181 1 21 ILE MG 1 25 GLU H 4.000 . 5.000 3.584 3.390 3.863 . 0 0 "[ . 1]" 1
182 1 21 ILE MG 1 25 GLU HG2 4.000 . 5.000 4.715 3.826 5.002 0.002 3 0 "[ . 1]" 1
183 1 21 ILE MG 1 25 GLU HG3 4.000 . 5.000 4.366 3.231 5.007 0.007 8 0 "[ . 1]" 1
184 1 22 ASP H 1 22 ASP QB 3.000 . 3.500 2.231 2.064 2.424 . 0 0 "[ . 1]" 1
185 1 22 ASP H 1 23 THR H 3.000 . 3.500 2.883 2.839 2.922 . 0 0 "[ . 1]" 1
186 1 22 ASP HA 1 25 GLU H 4.000 . 5.000 3.643 3.200 3.879 . 0 0 "[ . 1]" 1
187 1 22 ASP HA 1 25 GLU HB2 3.000 . 3.500 3.232 2.415 3.509 0.009 1 0 "[ . 1]" 1
188 1 22 ASP HA 1 25 GLU HB3 3.000 . 3.500 3.494 3.373 3.519 0.019 3 0 "[ . 1]" 1
189 1 22 ASP QB 1 23 THR H 3.000 . 3.500 2.451 2.356 2.577 . 0 0 "[ . 1]" 1
190 1 23 THR H 1 23 THR HA 3.000 . 3.500 2.837 2.763 2.871 . 0 0 "[ . 1]" 1
191 1 23 THR H 1 23 THR HB 3.000 . 3.500 2.225 2.117 2.880 . 0 0 "[ . 1]" 1
192 1 23 THR H 1 23 THR MG 3.000 . 3.500 3.363 2.635 3.594 0.094 9 0 "[ . 1]" 1
193 1 23 THR HA 1 23 THR HB 3.000 . 3.500 2.895 2.629 2.985 . 0 0 "[ . 1]" 1
194 1 23 THR HA 1 23 THR MG 3.000 . 3.500 2.793 2.090 3.193 . 0 0 "[ . 1]" 1
195 1 23 THR HA 1 26 ARG HB3 3.000 . 3.500 3.476 3.319 3.527 0.027 4 0 "[ . 1]" 1
196 1 23 THR HB 1 24 LEU H 3.000 . 3.500 3.127 2.840 3.554 0.054 4 0 "[ . 1]" 1
197 1 23 THR MG 1 26 ARG QD 4.000 . 5.000 4.316 3.604 5.003 0.003 6 0 "[ . 1]" 1
198 1 24 LEU H 1 24 LEU HB2 3.000 . 3.500 2.364 2.057 2.700 . 0 0 "[ . 1]" 1
199 1 24 LEU H 1 24 LEU HB3 3.000 . 3.500 2.782 2.349 3.338 . 0 0 "[ . 1]" 1
200 1 24 LEU H 1 24 LEU MD1 4.000 . 5.000 4.044 3.868 4.242 . 0 0 "[ . 1]" 1
201 1 24 LEU H 1 24 LEU MD2 4.000 . 5.000 4.123 4.048 4.247 . 0 0 "[ . 1]" 1
202 1 24 LEU H 1 24 LEU HG 4.000 . 5.000 4.198 3.391 4.661 . 0 0 "[ . 1]" 1
203 1 24 LEU H 1 25 GLU H 3.000 . 3.500 2.588 2.391 2.732 . 0 0 "[ . 1]" 1
204 1 24 LEU HA 1 24 LEU MD2 4.000 . 5.000 2.212 1.794 2.862 0.006 9 0 "[ . 1]" 1
205 1 24 LEU HA 1 27 VAL HB 3.000 . 3.500 3.543 3.478 3.615 0.115 10 0 "[ . 1]" 1
206 1 24 LEU HB2 1 25 GLU H 4.000 . 5.000 3.663 3.162 4.009 . 0 0 "[ . 1]" 1
207 1 24 LEU HB3 1 25 GLU H 4.000 . 5.000 2.821 2.658 3.206 . 0 0 "[ . 1]" 1
208 1 24 LEU MD1 1 25 GLU H 4.000 . 5.000 4.007 2.844 4.855 . 0 0 "[ . 1]" 1
209 1 24 LEU MD2 1 25 GLU H 4.000 . 5.000 4.045 3.397 4.443 . 0 0 "[ . 1]" 1
210 1 24 LEU MD2 1 27 VAL HA 4.000 . 5.000 5.056 5.035 5.108 0.108 9 0 "[ . 1]" 1
211 1 24 LEU HG 1 25 GLU H 4.000 . 5.000 4.986 4.851 5.092 0.092 8 0 "[ . 1]" 1
212 1 24 LEU HG 1 28 ILE MD 4.000 . 5.000 4.370 3.948 4.861 . 0 0 "[ . 1]" 1
213 1 25 GLU H 1 25 GLU HB2 4.000 . 5.000 2.305 2.075 2.434 . 0 0 "[ . 1]" 1
214 1 25 GLU H 1 25 GLU HB3 4.000 . 5.000 2.789 2.625 3.196 . 0 0 "[ . 1]" 1
215 1 25 GLU H 1 25 GLU HG2 4.000 . 5.000 4.395 3.845 4.638 . 0 0 "[ . 1]" 1
216 1 25 GLU H 1 25 GLU HG3 4.000 . 5.000 4.395 4.065 4.545 . 0 0 "[ . 1]" 1
217 1 25 GLU H 1 26 ARG H 3.000 . 3.500 2.684 2.663 2.722 . 0 0 "[ . 1]" 1
218 1 25 GLU HA 1 25 GLU HG2 4.000 . 5.000 2.818 2.077 3.739 . 0 0 "[ . 1]" 1
219 1 25 GLU HA 1 25 GLU HG3 4.000 . 5.000 3.014 2.287 3.547 . 0 0 "[ . 1]" 1
220 1 25 GLU HA 1 28 ILE HB 3.000 . 3.500 2.810 2.083 3.115 . 0 0 "[ . 1]" 1
221 1 25 GLU HA 1 28 ILE MD 4.000 . 5.000 2.648 1.932 3.670 . 0 0 "[ . 1]" 1
222 1 25 GLU HA 1 28 ILE HG12 3.000 . 3.500 3.044 1.959 3.525 0.025 9 0 "[ . 1]" 1
223 1 25 GLU QB 1 28 ILE MD 4.000 . 5.000 4.105 3.320 5.027 0.027 10 0 "[ . 1]" 1
224 1 25 GLU HB3 1 26 ARG H 4.000 . 5.000 2.780 2.615 3.018 . 0 0 "[ . 1]" 1
225 1 26 ARG H 1 26 ARG HB2 4.000 . 5.000 2.553 2.386 2.607 . 0 0 "[ . 1]" 1
226 1 26 ARG H 1 26 ARG HB3 4.000 . 5.000 2.498 2.443 2.663 . 0 0 "[ . 1]" 1
227 1 26 ARG H 1 26 ARG HG3 4.000 . 5.000 4.497 4.372 4.595 . 0 0 "[ . 1]" 1
228 1 26 ARG H 1 27 VAL H 3.000 . 3.500 2.612 2.329 2.707 . 0 0 "[ . 1]" 1
229 1 26 ARG H 1 27 VAL MG1 4.000 . 5.000 4.377 4.128 5.200 0.200 10 0 "[ . 1]" 1
230 1 26 ARG HA 1 26 ARG HG2 4.000 . 5.000 2.939 2.551 3.655 . 0 0 "[ . 1]" 1
231 1 26 ARG HA 1 26 ARG HG3 4.000 . 5.000 2.832 2.489 3.299 . 0 0 "[ . 1]" 1
232 1 26 ARG HA 1 27 VAL H 4.000 . 5.000 3.514 3.420 3.560 . 0 0 "[ . 1]" 1
233 1 26 ARG HA 1 29 GLU H 4.000 . 5.000 3.807 3.736 3.895 . 0 0 "[ . 1]" 1
234 1 26 ARG HA 1 29 GLU QB 3.000 . 3.500 3.468 3.349 3.528 0.028 9 0 "[ . 1]" 1
235 1 26 ARG HB3 1 27 VAL H 4.000 . 5.000 2.748 2.470 3.008 . 0 0 "[ . 1]" 1
236 1 26 ARG HB3 1 28 ILE H 4.000 . 5.000 4.909 4.639 5.025 0.025 3 0 "[ . 1]" 1
237 1 27 VAL H 1 27 VAL HB 4.000 . 5.000 2.591 2.362 3.311 . 0 0 "[ . 1]" 1
238 1 27 VAL H 1 27 VAL MG1 4.000 . 5.000 2.594 2.421 3.532 . 0 0 "[ . 1]" 1
239 1 27 VAL H 1 27 VAL MG2 4.000 . 5.000 3.573 1.767 3.798 0.033 10 0 "[ . 1]" 1
240 1 27 VAL H 1 28 ILE H 3.000 . 3.500 2.422 2.188 2.505 . 0 0 "[ . 1]" 1
241 1 27 VAL HA 1 30 LYS H 4.000 . 5.000 3.118 3.004 3.197 . 0 0 "[ . 1]" 1
242 1 27 VAL HA 1 30 LYS QB 3.000 . 3.500 2.457 1.954 2.686 . 0 0 "[ . 1]" 1
243 1 27 VAL HB 1 28 ILE H 4.000 . 5.000 3.936 3.448 4.050 . 0 0 "[ . 1]" 1
244 1 27 VAL MG1 1 28 ILE H 4.000 . 5.000 2.413 2.083 4.364 . 0 0 "[ . 1]" 1
245 1 27 VAL MG1 1 30 LYS H 4.000 . 5.000 4.889 4.493 5.003 0.003 9 0 "[ . 1]" 1
246 1 27 VAL MG1 1 31 ASN HB3 4.000 . 5.000 4.641 3.825 5.013 0.013 5 0 "[ . 1]" 1
247 1 27 VAL MG1 1 43 PHE QE 4.000 . 5.000 3.680 3.204 4.864 . 0 0 "[ . 1]" 1
248 1 27 VAL MG2 1 28 ILE H 4.000 . 5.000 3.914 2.939 4.112 . 0 0 "[ . 1]" 1
249 1 27 VAL MG2 1 29 GLU H 4.000 . 5.000 5.035 5.021 5.054 0.054 8 0 "[ . 1]" 1
250 1 27 VAL MG2 1 30 LYS H 4.000 . 5.000 4.299 4.125 5.049 0.049 10 0 "[ . 1]" 1
251 1 27 VAL MG2 1 31 ASN HB3 4.000 . 5.000 4.209 3.294 5.119 0.119 10 0 "[ . 1]" 1
252 1 28 ILE H 1 28 ILE HB 4.000 . 5.000 2.542 2.093 2.660 . 0 0 "[ . 1]" 1
253 1 28 ILE H 1 28 ILE MD 4.000 . 5.000 3.151 2.038 3.667 . 0 0 "[ . 1]" 1
254 1 28 ILE H 1 28 ILE HG12 4.000 . 5.000 3.058 2.058 4.439 . 0 0 "[ . 1]" 1
255 1 28 ILE H 1 28 ILE MG 4.000 . 5.000 3.697 3.076 3.780 . 0 0 "[ . 1]" 1
256 1 28 ILE H 1 29 GLU H 3.000 . 3.500 2.655 2.614 2.687 . 0 0 "[ . 1]" 1
257 1 28 ILE H 1 29 GLU QB 4.000 . 5.000 4.402 4.337 4.450 . 0 0 "[ . 1]" 1
258 1 28 ILE HA 1 28 ILE MD 4.000 . 5.000 2.967 1.939 3.823 . 0 0 "[ . 1]" 1
259 1 28 ILE HA 1 28 ILE HG12 4.000 . 5.000 2.977 2.523 3.582 . 0 0 "[ . 1]" 1
260 1 28 ILE HA 1 29 GLU H 4.000 . 5.000 3.520 3.498 3.541 . 0 0 "[ . 1]" 1
261 1 28 ILE HA 1 32 LYS H 4.000 . 5.000 3.864 3.530 4.271 . 0 0 "[ . 1]" 1
262 1 28 ILE HB 1 29 GLU H . . 3.500 2.714 2.421 3.368 . 0 0 "[ . 1]" 1
263 1 29 GLU H 1 29 GLU QB 3.000 . 3.500 2.132 2.076 2.256 . 0 0 "[ . 1]" 1
264 1 29 GLU H 1 29 GLU QG 4.000 . 5.000 3.583 3.043 4.030 . 0 0 "[ . 1]" 1
265 1 29 GLU H 1 30 LYS H 4.000 . 5.000 2.542 2.476 2.638 . 0 0 "[ . 1]" 1
266 1 29 GLU HA 1 32 LYS H 4.000 . 5.000 3.618 3.392 3.765 . 0 0 "[ . 1]" 1
267 1 29 GLU HA 1 32 LYS QB 3.000 . 3.500 2.889 2.208 3.557 0.057 10 0 "[ . 1]" 1
268 1 29 GLU HA 1 32 LYS QE 4.000 . 5.000 3.807 2.469 5.001 0.001 4 0 "[ . 1]" 1
269 1 29 GLU HA 1 32 LYS QG 3.000 . 3.500 2.792 1.865 3.532 0.032 8 0 "[ . 1]" 1
270 1 29 GLU QB 1 30 LYS H 3.000 . 3.500 2.625 2.411 2.834 . 0 0 "[ . 1]" 1
271 1 30 LYS H 1 30 LYS HA 3.000 . 3.500 2.835 2.804 2.870 . 0 0 "[ . 1]" 1
272 1 30 LYS H 1 30 LYS QB 3.000 . 3.500 2.108 2.048 2.177 . 0 0 "[ . 1]" 1
273 1 30 LYS H 1 30 LYS HG2 4.000 . 5.000 4.040 3.129 4.660 . 0 0 "[ . 1]" 1
274 1 30 LYS H 1 31 ASN H 4.000 . 5.000 2.639 2.471 2.746 . 0 0 "[ . 1]" 1
275 1 30 LYS HA 1 30 LYS QD 4.000 . 5.000 3.268 2.014 4.022 . 0 0 "[ . 1]" 1
276 1 30 LYS HA 1 31 ASN H 4.000 . 5.000 3.543 3.502 3.560 . 0 0 "[ . 1]" 1
277 1 30 LYS QB 1 31 ASN H 3.000 . 3.500 2.600 2.422 2.863 . 0 0 "[ . 1]" 1
278 1 31 ASN H 1 31 ASN HB2 4.000 . 5.000 2.297 2.084 2.707 . 0 0 "[ . 1]" 1
279 1 31 ASN H 1 31 ASN HB3 4.000 . 5.000 3.108 2.402 3.584 . 0 0 "[ . 1]" 1
280 1 31 ASN H 1 32 LYS H 4.000 . 5.000 2.567 2.458 2.692 . 0 0 "[ . 1]" 1
281 1 31 ASN HA 1 32 LYS H 3.000 . 3.500 3.512 3.491 3.542 0.042 9 0 "[ . 1]" 1
282 1 31 ASN HA 1 34 GLU H 3.000 . 3.500 3.086 2.860 3.238 . 0 0 "[ . 1]" 1
283 1 31 ASN HB2 1 35 LEU MD1 4.000 . 5.000 4.968 4.838 5.023 0.023 9 0 "[ . 1]" 1
284 1 31 ASN HB3 1 35 LEU MD1 4.000 . 5.000 3.845 3.317 4.700 . 0 0 "[ . 1]" 1
285 1 32 LYS H 1 32 LYS HA 3.000 . 3.500 2.799 2.792 2.830 . 0 0 "[ . 1]" 1
286 1 32 LYS H 1 32 LYS QG 4.000 . 5.000 2.859 2.272 3.972 . 0 0 "[ . 1]" 1
287 1 32 LYS H 1 33 TYR H 3.000 . 3.500 2.702 2.592 2.790 . 0 0 "[ . 1]" 1
288 1 32 LYS HA 1 33 TYR H 4.000 . 5.000 3.519 3.487 3.560 . 0 0 "[ . 1]" 1
289 1 32 LYS HA 1 34 GLU H 4.000 . 5.000 4.120 3.865 4.452 . 0 0 "[ . 1]" 1
290 1 32 LYS HA 1 35 LEU MD2 3.000 . 3.500 2.812 2.455 3.185 . 0 0 "[ . 1]" 1
291 1 32 LYS QB 1 32 LYS QE 4.000 . 5.000 3.110 2.155 3.695 . 0 0 "[ . 1]" 1
292 1 32 LYS QB 1 33 TYR H 4.000 . 5.000 3.017 2.550 3.554 . 0 0 "[ . 1]" 1
293 1 32 LYS QG 1 33 TYR H 4.000 . 5.000 3.358 1.957 4.449 . 0 0 "[ . 1]" 1
294 1 33 TYR H 1 33 TYR HA 3.000 . 3.500 2.918 2.900 2.939 . 0 0 "[ . 1]" 1
295 1 33 TYR H 1 33 TYR HB2 3.000 . 3.500 2.365 2.166 2.759 . 0 0 "[ . 1]" 1
296 1 33 TYR H 1 33 TYR HB3 3.000 . 3.500 3.075 2.552 3.505 0.005 1 0 "[ . 1]" 1
297 1 33 TYR H 1 34 GLU H 3.000 . 3.500 2.301 2.144 2.483 . 0 0 "[ . 1]" 1
298 1 33 TYR HA 1 34 GLU H 4.000 . 5.000 3.360 3.280 3.448 . 0 0 "[ . 1]" 1
299 1 34 GLU H 1 34 GLU QB 3.000 . 3.500 2.159 2.042 2.292 . 0 0 "[ . 1]" 1
300 1 34 GLU H 1 34 GLU HG2 4.000 . 5.000 4.290 3.889 4.626 . 0 0 "[ . 1]" 1
301 1 34 GLU H 1 34 GLU HG3 4.000 . 5.000 4.071 3.357 4.539 . 0 0 "[ . 1]" 1
302 1 34 GLU HA 1 34 GLU HG2 4.000 . 5.000 2.577 2.112 3.732 . 0 0 "[ . 1]" 1
303 1 34 GLU HA 1 34 GLU HG3 4.000 . 5.000 2.854 2.284 3.537 . 0 0 "[ . 1]" 1
304 1 35 LEU H 1 35 LEU HB2 4.000 . 5.000 3.588 3.577 3.603 . 0 0 "[ . 1]" 1
305 1 35 LEU H 1 35 LEU HB3 4.000 . 5.000 2.424 2.397 2.456 . 0 0 "[ . 1]" 1
306 1 35 LEU H 1 35 LEU MD1 4.000 . 5.000 3.059 2.973 3.163 . 0 0 "[ . 1]" 1
307 1 35 LEU H 1 35 LEU MD2 4.000 . 5.000 1.903 1.854 1.949 . 0 0 "[ . 1]" 1
308 1 35 LEU H 1 35 LEU HG 4.000 . 5.000 4.073 4.058 4.086 . 0 0 "[ . 1]" 1
309 1 35 LEU H 1 36 SER H 4.000 . 5.000 4.347 4.307 4.391 . 0 0 "[ . 1]" 1
310 1 35 LEU H 1 40 LEU MD1 4.000 . 5.000 5.018 5.009 5.028 0.028 10 0 "[ . 1]" 1
311 1 35 LEU HA 1 35 LEU MD2 4.000 . 5.000 3.299 3.282 3.322 . 0 0 "[ . 1]" 1
312 1 35 LEU HA 1 36 SER H 2.000 . 2.800 2.844 2.809 2.862 0.062 4 0 "[ . 1]" 1
313 1 35 LEU HB2 1 36 SER H 3.000 . 3.500 1.921 1.887 1.943 . 0 0 "[ . 1]" 1
314 1 35 LEU HB2 1 39 GLU H 4.000 . 5.000 3.793 3.766 3.824 . 0 0 "[ . 1]" 1
315 1 35 LEU HB2 1 39 GLU QB 3.000 . 3.500 2.062 1.746 2.389 0.054 3 0 "[ . 1]" 1
316 1 35 LEU HB2 1 39 GLU QG 4.000 . 5.000 2.057 1.797 2.261 0.003 1 0 "[ . 1]" 1
317 1 35 LEU HB3 1 39 GLU H 4.000 . 5.000 5.255 5.222 5.277 0.277 9 0 "[ . 1]" 1
318 1 35 LEU HB3 1 39 GLU QB 3.000 . 3.500 2.959 2.874 3.022 . 0 0 "[ . 1]" 1
319 1 35 LEU MD1 1 36 SER H 3.000 . 3.500 3.710 3.694 3.737 0.237 9 0 "[ . 1]" 1
320 1 35 LEU MD1 1 39 GLU QB 4.000 . 5.000 2.229 1.842 2.623 . 0 0 "[ . 1]" 1
321 1 35 LEU MD1 1 40 LEU HA 3.000 . 3.500 2.001 1.916 2.106 . 0 0 "[ . 1]" 1
322 1 35 LEU MD1 1 43 PHE H 4.000 . 5.000 3.424 3.343 3.483 . 0 0 "[ . 1]" 1
323 1 35 LEU MD1 1 43 PHE HB2 3.000 . 3.500 2.456 2.368 2.661 . 0 0 "[ . 1]" 1
324 1 35 LEU MD1 1 43 PHE HB3 3.000 . 3.500 3.217 2.959 3.502 0.002 2 0 "[ . 1]" 1
325 1 35 LEU MD2 1 36 SER H 3.000 . 3.500 2.752 2.633 2.885 . 0 0 "[ . 1]" 1
326 1 35 LEU MD2 1 39 GLU H 4.000 . 5.000 4.231 4.072 4.392 . 0 0 "[ . 1]" 1
327 1 35 LEU MD2 1 39 GLU QB 3.000 . 3.500 3.511 3.507 3.517 0.017 1 0 "[ . 1]" 1
328 1 35 LEU MD2 1 39 GLU QG 3.000 . 3.500 3.639 3.604 3.671 0.171 5 0 "[ . 1]" 1
329 1 35 LEU MD2 1 43 PHE H 4.000 . 5.000 5.063 5.042 5.096 0.096 1 0 "[ . 1]" 1
330 1 35 LEU HG 1 39 GLU HA 4.000 . 5.000 4.137 4.082 4.203 . 0 0 "[ . 1]" 1
331 1 36 SER H 1 36 SER HB2 3.000 . 3.500 2.853 2.433 3.324 . 0 0 "[ . 1]" 1
332 1 36 SER H 1 36 SER HB3 4.000 . 5.000 3.387 2.636 3.790 . 0 0 "[ . 1]" 1
333 1 36 SER H 1 39 GLU QB 3.000 . 3.500 2.786 2.253 3.325 . 0 0 "[ . 1]" 1
334 1 37 ASP H 1 37 ASP QB 3.000 . 3.500 2.328 2.096 2.596 . 0 0 "[ . 1]" 1
335 1 37 ASP HA 1 40 LEU HB2 3.000 . 3.500 3.254 2.942 3.381 . 0 0 "[ . 1]" 1
336 1 37 ASP HA 1 40 LEU HB3 3.000 . 3.500 2.369 2.275 2.531 . 0 0 "[ . 1]" 1
337 1 37 ASP HA 1 40 LEU MD1 3.000 . 3.500 3.493 3.397 3.520 0.020 10 0 "[ . 1]" 1
338 1 38 ASN HA 1 39 GLU H 3.000 . 3.500 3.580 3.573 3.587 0.087 8 0 "[ . 1]" 1
339 1 38 ASN HA 1 41 ALA MB 4.000 . 5.000 3.444 3.206 3.609 . 0 0 "[ . 1]" 1
340 1 38 ASN QB 1 39 GLU H 4.000 . 5.000 2.662 2.445 3.326 . 0 0 "[ . 1]" 1
341 1 39 GLU H 1 39 GLU QB 3.000 . 3.500 2.562 2.195 2.940 . 0 0 "[ . 1]" 1
342 1 39 GLU H 1 39 GLU QG 4.000 . 5.000 2.898 1.820 3.915 . 0 0 "[ . 1]" 1
343 1 39 GLU H 1 40 LEU H 3.000 . 3.500 2.365 2.354 2.381 . 0 0 "[ . 1]" 1
344 1 39 GLU HA 1 40 LEU H 4.000 . 5.000 3.483 3.469 3.507 . 0 0 "[ . 1]" 1
345 1 39 GLU HA 1 42 VAL HB 3.000 . 3.500 3.514 3.473 3.546 0.046 6 0 "[ . 1]" 1
346 1 39 GLU HA 1 42 VAL MG2 3.000 . 3.500 2.696 2.401 2.939 . 0 0 "[ . 1]" 1
347 1 39 GLU QB 1 40 LEU H 3.000 . 3.500 2.905 2.718 3.068 . 0 0 "[ . 1]" 1
348 1 39 GLU QG 1 40 LEU H 4.000 . 5.000 3.453 3.232 3.699 . 0 0 "[ . 1]" 1
349 1 40 LEU H 1 40 LEU HA 3.000 . 3.500 2.790 2.784 2.802 . 0 0 "[ . 1]" 1
350 1 40 LEU H 1 40 LEU HB2 3.000 . 3.500 2.445 2.275 2.499 . 0 0 "[ . 1]" 1
351 1 40 LEU H 1 40 LEU HB3 3.000 . 3.500 2.555 2.498 2.762 . 0 0 "[ . 1]" 1
352 1 40 LEU H 1 40 LEU MD1 4.000 . 5.000 4.172 4.097 4.217 . 0 0 "[ . 1]" 1
353 1 40 LEU H 1 40 LEU MD2 4.000 . 5.000 4.143 4.082 4.260 . 0 0 "[ . 1]" 1
354 1 40 LEU H 1 40 LEU HG 4.000 . 5.000 4.419 4.298 4.439 . 0 0 "[ . 1]" 1
355 1 40 LEU H 1 41 ALA H 3.000 . 3.500 2.705 2.685 2.741 . 0 0 "[ . 1]" 1
356 1 40 LEU HA 1 40 LEU HB2 3.000 . 3.500 2.453 2.425 2.559 . 0 0 "[ . 1]" 1
357 1 40 LEU HA 1 40 LEU HB3 3.000 . 3.500 3.014 3.002 3.016 . 0 0 "[ . 1]" 1
358 1 40 LEU HA 1 40 LEU MD1 4.000 . 5.000 3.391 3.148 3.628 . 0 0 "[ . 1]" 1
359 1 40 LEU HA 1 40 LEU MD2 4.000 . 5.000 3.480 3.057 3.627 . 0 0 "[ . 1]" 1
360 1 40 LEU HA 1 40 LEU HG 4.000 . 5.000 2.453 2.339 2.499 . 0 0 "[ . 1]" 1
361 1 40 LEU HA 1 41 ALA H 4.000 . 5.000 3.514 3.499 3.526 . 0 0 "[ . 1]" 1
362 1 40 LEU HA 1 43 PHE HB2 3.000 . 3.500 2.643 2.424 2.836 . 0 0 "[ . 1]" 1
363 1 40 LEU HA 1 43 PHE HB3 3.000 . 3.500 2.538 2.355 2.776 . 0 0 "[ . 1]" 1
364 1 40 LEU HA 1 43 PHE QD 4.000 . 5.000 4.162 3.831 4.498 . 0 0 "[ . 1]" 1
365 1 40 LEU HA 1 44 TYR H 4.000 . 5.000 3.642 3.498 3.766 . 0 0 "[ . 1]" 1
366 1 40 LEU HB2 1 40 LEU MD1 3.000 . 3.500 2.123 2.040 2.165 . 0 0 "[ . 1]" 1
367 1 40 LEU HB2 1 41 ALA H 4.000 . 5.000 3.949 3.837 4.006 . 0 0 "[ . 1]" 1
368 1 40 LEU HB2 1 43 PHE H 4.000 . 5.000 5.123 5.106 5.133 0.133 5 0 "[ . 1]" 1
369 1 40 LEU HB3 1 40 LEU MD1 3.000 . 3.500 2.733 2.591 2.873 . 0 0 "[ . 1]" 1
370 1 40 LEU HB3 1 41 ALA H 4.000 . 5.000 2.786 2.715 2.866 . 0 0 "[ . 1]" 1
371 1 40 LEU MD1 1 43 PHE HB3 4.000 . 5.000 4.070 3.758 4.265 . 0 0 "[ . 1]" 1
372 1 40 LEU MD1 1 43 PHE QD 4.000 . 5.000 4.237 3.563 4.936 . 0 0 "[ . 1]" 1
373 1 40 LEU MD1 1 44 TYR H 4.000 . 5.000 4.861 4.723 5.002 0.002 9 0 "[ . 1]" 1
374 1 40 LEU MD1 1 44 TYR QD 4.000 . 5.000 3.666 3.350 3.863 . 0 0 "[ . 1]" 1
375 1 40 LEU MD1 1 44 TYR QE 4.000 . 5.000 4.735 4.405 5.001 0.001 3 0 "[ . 1]" 1
376 1 40 LEU MD2 1 41 ALA H 4.000 . 5.000 3.337 3.137 3.772 . 0 0 "[ . 1]" 1
377 1 40 LEU MD2 1 43 PHE QD 4.000 . 5.000 4.746 3.526 5.011 0.011 1 0 "[ . 1]" 1
378 1 40 LEU MD2 1 44 TYR H 4.000 . 5.000 3.322 2.451 3.631 . 0 0 "[ . 1]" 1
379 1 40 LEU MD2 1 44 TYR QD 4.000 . 5.000 2.467 2.023 3.020 . 0 0 "[ . 1]" 1
380 1 40 LEU MD2 1 44 TYR QE 4.000 . 5.000 3.994 3.752 4.229 . 0 0 "[ . 1]" 1
381 1 41 ALA H 1 41 ALA HA 3.000 . 3.500 2.792 2.789 2.796 . 0 0 "[ . 1]" 1
382 1 41 ALA H 1 41 ALA MB 3.000 . 3.500 2.196 2.094 2.244 . 0 0 "[ . 1]" 1
383 1 41 ALA HA 1 42 VAL H 3.000 . 3.500 3.486 3.470 3.499 . 0 0 "[ . 1]" 1
384 1 41 ALA HA 1 44 TYR H 4.000 . 5.000 3.629 3.555 3.722 . 0 0 "[ . 1]" 1
385 1 41 ALA HA 1 44 TYR HB2 3.000 . 3.500 3.417 3.149 3.520 0.020 5 0 "[ . 1]" 1
386 1 41 ALA HA 1 44 TYR HB3 3.000 . 3.500 3.444 3.330 3.517 0.017 9 0 "[ . 1]" 1
387 1 41 ALA MB 1 42 VAL H 4.000 . 5.000 2.681 2.591 2.782 . 0 0 "[ . 1]" 1
388 1 41 ALA MB 1 43 PHE H 4.000 . 5.000 4.440 4.398 4.529 . 0 0 "[ . 1]" 1
389 1 42 VAL H 1 42 VAL HA 3.000 . 3.500 2.870 2.868 2.872 . 0 0 "[ . 1]" 1
390 1 42 VAL H 1 42 VAL HB 3.000 . 3.500 2.542 2.425 2.683 . 0 0 "[ . 1]" 1
391 1 42 VAL H 1 42 VAL MG1 4.000 . 5.000 3.771 3.753 3.780 . 0 0 "[ . 1]" 1
392 1 42 VAL H 1 42 VAL MG2 4.000 . 5.000 2.222 1.968 2.382 . 0 0 "[ . 1]" 1
393 1 42 VAL H 1 43 PHE H 3.000 . 3.500 2.406 2.380 2.419 . 0 0 "[ . 1]" 1
394 1 42 VAL HA 1 42 VAL HB 3.000 . 3.500 3.023 3.015 3.027 . 0 0 "[ . 1]" 1
395 1 42 VAL HA 1 43 PHE H 4.000 . 5.000 3.517 3.506 3.530 . 0 0 "[ . 1]" 1
396 1 42 VAL HA 1 43 PHE HA 4.000 . 5.000 4.725 4.716 4.743 . 0 0 "[ . 1]" 1
397 1 42 VAL HA 1 45 SER H 4.000 . 5.000 3.835 3.749 3.997 . 0 0 "[ . 1]" 1
398 1 42 VAL HB 1 43 PHE H 3.000 . 3.500 2.846 2.795 2.885 . 0 0 "[ . 1]" 1
399 1 42 VAL MG1 1 43 PHE H 4.000 . 5.000 3.756 3.625 3.892 . 0 0 "[ . 1]" 1
400 1 42 VAL MG2 1 43 PHE H 4.000 . 5.000 3.842 3.678 3.953 . 0 0 "[ . 1]" 1
401 1 43 PHE H 1 43 PHE HA 3.000 . 3.500 2.869 2.860 2.872 . 0 0 "[ . 1]" 1
402 1 43 PHE H 1 43 PHE HB2 3.000 . 3.500 2.408 2.330 2.475 . 0 0 "[ . 1]" 1
403 1 43 PHE H 1 43 PHE HB3 3.000 . 3.500 2.715 2.641 2.815 . 0 0 "[ . 1]" 1
404 1 43 PHE H 1 44 TYR H 3.000 . 3.500 2.540 2.494 2.585 . 0 0 "[ . 1]" 1
405 1 43 PHE HA 1 43 PHE HB2 3.000 . 3.500 2.575 2.534 2.628 . 0 0 "[ . 1]" 1
406 1 43 PHE HA 1 43 PHE HB3 3.000 . 3.500 3.008 2.995 3.017 . 0 0 "[ . 1]" 1
407 1 43 PHE HA 1 43 PHE QD 4.000 . 5.000 2.530 1.966 3.077 . 0 0 "[ . 1]" 1
408 1 43 PHE HA 1 43 PHE QE 4.000 . 5.000 4.396 4.149 4.607 . 0 0 "[ . 1]" 1
409 1 43 PHE HA 1 44 TYR H 4.000 . 5.000 3.545 3.523 3.556 . 0 0 "[ . 1]" 1
410 1 43 PHE HA 1 46 ALA H 4.000 . 5.000 3.630 3.494 3.785 . 0 0 "[ . 1]" 1
411 1 43 PHE HA 1 46 ALA MB 3.000 . 3.500 2.746 2.554 2.921 . 0 0 "[ . 1]" 1
412 1 43 PHE HB2 1 43 PHE QD 3.000 . 3.800 2.523 2.307 2.725 . 0 0 "[ . 1]" 1
413 1 43 PHE HB2 1 44 TYR H 4.000 . 5.000 3.669 3.610 3.807 . 0 0 "[ . 1]" 1
414 1 43 PHE HB3 1 43 PHE QD 3.000 . 3.800 2.351 2.261 2.485 . 0 0 "[ . 1]" 1
415 1 43 PHE HB3 1 44 TYR H 4.000 . 5.000 2.525 2.425 2.691 . 0 0 "[ . 1]" 1
416 1 43 PHE QD 1 44 TYR H 4.000 . 5.000 3.947 3.479 4.351 . 0 0 "[ . 1]" 1
417 1 44 TYR H 1 44 TYR HA 3.000 . 3.500 2.810 2.788 2.849 . 0 0 "[ . 1]" 1
418 1 44 TYR H 1 44 TYR HB2 3.000 . 3.500 2.186 2.132 2.234 . 0 0 "[ . 1]" 1
419 1 44 TYR H 1 44 TYR HB3 3.000 . 3.500 2.946 2.868 3.041 . 0 0 "[ . 1]" 1
420 1 44 TYR H 1 44 TYR QD 4.000 . 5.000 3.911 3.751 4.045 . 0 0 "[ . 1]" 1
421 1 44 TYR H 1 45 SER H 3.000 . 3.500 2.729 2.621 2.790 . 0 0 "[ . 1]" 1
422 1 44 TYR HA 1 44 TYR HB2 3.000 . 3.500 2.674 2.634 2.722 . 0 0 "[ . 1]" 1
423 1 44 TYR HA 1 44 TYR HB3 3.000 . 3.500 2.975 2.952 2.994 . 0 0 "[ . 1]" 1
424 1 44 TYR HA 1 44 TYR QD 4.000 . 5.000 2.879 2.454 3.056 . 0 0 "[ . 1]" 1
425 1 44 TYR HA 1 47 ALA MB 3.000 . 3.500 2.600 2.198 3.093 . 0 0 "[ . 1]" 1
426 1 44 TYR HA 1 48 ASP H 4.000 . 5.000 4.027 3.591 4.781 . 0 0 "[ . 1]" 1
427 1 44 TYR HB2 1 45 SER H 4.000 . 5.000 3.468 3.422 3.525 . 0 0 "[ . 1]" 1
428 1 44 TYR HB3 1 45 SER H 4.000 . 5.000 2.525 2.457 2.700 . 0 0 "[ . 1]" 1
429 1 45 SER H 1 45 SER HA 3.000 . 3.500 2.804 2.791 2.833 . 0 0 "[ . 1]" 1
430 1 45 SER H 1 45 SER QB 3.000 . 3.500 2.370 2.107 2.557 . 0 0 "[ . 1]" 1
431 1 45 SER H 1 47 ALA H 4.000 . 5.000 4.050 3.923 4.279 . 0 0 "[ . 1]" 1
432 1 45 SER HA 1 46 ALA H 4.000 . 5.000 3.531 3.500 3.552 . 0 0 "[ . 1]" 1
433 1 46 ALA H 1 46 ALA HA 3.000 . 3.500 2.845 2.799 2.869 . 0 0 "[ . 1]" 1
434 1 46 ALA H 1 46 ALA MB 3.000 . 3.500 2.170 2.087 2.236 . 0 0 "[ . 1]" 1
435 1 46 ALA H 1 47 ALA H 3.000 . 3.500 2.537 2.442 2.661 . 0 0 "[ . 1]" 1
436 1 46 ALA H 1 47 ALA MB 4.000 . 5.000 4.196 4.076 4.323 . 0 0 "[ . 1]" 1
437 1 46 ALA HA 1 47 ALA H 3.000 . 3.500 3.504 3.483 3.532 0.032 8 0 "[ . 1]" 1
438 1 46 ALA HA 1 49 HIS HB2 4.000 . 5.000 3.148 2.705 3.845 . 0 0 "[ . 1]" 1
439 1 46 ALA HA 1 49 HIS HB3 4.000 . 5.000 4.277 2.934 5.002 0.002 10 0 "[ . 1]" 1
440 1 46 ALA MB 1 47 ALA H 3.000 . 3.500 2.748 2.586 2.875 . 0 0 "[ . 1]" 1
441 1 47 ALA H 1 47 ALA HA 3.000 . 3.500 2.848 2.803 2.878 . 0 0 "[ . 1]" 1
442 1 47 ALA HA 1 50 ARG QB 4.000 . 5.000 2.979 2.485 3.758 . 0 0 "[ . 1]" 1
443 1 47 ALA HA 1 50 ARG QG 4.000 . 5.000 4.120 2.104 4.797 . 0 0 "[ . 1]" 1
444 1 47 ALA MB 1 48 ASP H 4.000 . 5.000 2.611 2.249 2.888 . 0 0 "[ . 1]" 1
445 1 47 ALA MB 1 49 HIS H 4.000 . 5.000 4.671 4.324 4.911 . 0 0 "[ . 1]" 1
446 1 48 ASP H 1 48 ASP HA 3.000 . 3.500 2.809 2.773 2.863 . 0 0 "[ . 1]" 1
447 1 48 ASP H 1 48 ASP HB3 3.000 . 3.500 3.435 3.236 3.551 0.051 5 0 "[ . 1]" 1
448 1 48 ASP H 1 49 HIS H 3.000 . 3.500 2.748 2.579 2.863 . 0 0 "[ . 1]" 1
449 1 48 ASP HA 1 48 ASP HB3 3.000 . 3.500 2.728 2.576 2.883 . 0 0 "[ . 1]" 1
450 1 48 ASP HA 1 49 HIS H 4.000 . 5.000 3.560 3.548 3.580 . 0 0 "[ . 1]" 1
451 1 48 ASP HA 1 51 LEU HB2 3.000 . 3.500 2.994 2.195 3.610 0.110 5 0 "[ . 1]" 1
452 1 48 ASP HA 1 51 LEU HB3 3.000 . 3.500 3.235 2.107 3.553 0.053 3 0 "[ . 1]" 1
453 1 48 ASP HA 1 51 LEU MD1 4.000 . 5.000 3.765 2.687 4.848 . 0 0 "[ . 1]" 1
454 1 48 ASP HB3 1 49 HIS H 4.000 . 5.000 3.037 2.637 3.294 . 0 0 "[ . 1]" 1
455 1 49 HIS H 1 49 HIS HA 3.000 . 3.500 2.791 2.777 2.803 . 0 0 "[ . 1]" 1
456 1 49 HIS H 1 49 HIS HB2 3.000 . 3.500 2.213 2.073 2.588 . 0 0 "[ . 1]" 1
457 1 49 HIS H 1 49 HIS HB3 3.000 . 3.500 3.357 2.458 3.539 0.039 10 0 "[ . 1]" 1
458 1 49 HIS H 1 50 ARG H 3.000 . 3.500 2.777 2.733 2.874 . 0 0 "[ . 1]" 1
459 1 49 HIS HA 1 49 HIS HB2 3.000 . 3.500 2.894 2.425 3.004 . 0 0 "[ . 1]" 1
460 1 49 HIS HA 1 49 HIS HB3 3.000 . 3.500 2.751 2.600 3.027 . 0 0 "[ . 1]" 1
461 1 49 HIS HA 1 50 ARG H 4.000 . 5.000 3.550 3.527 3.568 . 0 0 "[ . 1]" 1
462 1 49 HIS HA 1 52 ALA MB 3.000 . 3.500 2.483 2.325 2.772 . 0 0 "[ . 1]" 1
463 1 49 HIS HA 1 63 ILE MD 3.000 . 3.500 3.210 2.853 3.503 0.003 6 0 "[ . 1]" 1
464 1 49 HIS HA 1 63 ILE HG12 4.000 . 5.000 5.027 5.005 5.059 0.059 3 0 "[ . 1]" 1
465 1 49 HIS HB2 1 50 ARG H 4.000 . 5.000 2.924 2.602 3.889 . 0 0 "[ . 1]" 1
466 1 49 HIS HB3 1 50 ARG H 4.000 . 5.000 3.029 2.541 3.350 . 0 0 "[ . 1]" 1
467 1 50 ARG H 1 50 ARG QB 3.000 . 3.500 2.202 2.085 2.436 . 0 0 "[ . 1]" 1
468 1 50 ARG H 1 50 ARG QD 4.000 . 5.000 4.021 3.659 4.481 . 0 0 "[ . 1]" 1
469 1 50 ARG H 1 50 ARG QG 4.000 . 5.000 3.474 2.198 4.040 . 0 0 "[ . 1]" 1
470 1 50 ARG HA 1 51 LEU H 4.000 . 5.000 3.530 3.516 3.554 . 0 0 "[ . 1]" 1
471 1 50 ARG QB 1 51 LEU MD1 4.000 . 5.000 4.262 3.651 5.208 0.208 5 0 "[ . 1]" 1
472 1 50 ARG QD 1 54 LEU MD1 4.000 . 5.000 3.954 2.377 4.969 . 0 0 "[ . 1]" 1
473 1 51 LEU H 1 51 LEU HA 3.000 . 3.500 2.834 2.789 2.861 . 0 0 "[ . 1]" 1
474 1 51 LEU H 1 51 LEU HB2 3.000 . 3.500 2.244 2.053 2.871 . 0 0 "[ . 1]" 1
475 1 51 LEU H 1 51 LEU HB3 3.000 . 3.500 2.993 2.111 3.464 . 0 0 "[ . 1]" 1
476 1 51 LEU H 1 51 LEU MD1 3.000 . 3.500 3.422 3.177 3.567 0.067 3 0 "[ . 1]" 1
477 1 51 LEU H 1 51 LEU MD2 4.000 . 5.000 4.155 2.272 4.460 . 0 0 "[ . 1]" 1
478 1 51 LEU H 1 52 ALA H 3.000 . 3.500 2.558 2.460 2.662 . 0 0 "[ . 1]" 1
479 1 51 LEU HA 1 51 LEU MD1 4.000 . 5.000 3.106 1.870 3.649 . 0 0 "[ . 1]" 1
480 1 51 LEU HA 1 51 LEU MD2 4.000 . 5.000 3.038 2.110 3.621 . 0 0 "[ . 1]" 1
481 1 51 LEU HA 1 51 LEU HG 4.000 . 5.000 2.650 2.116 3.928 . 0 0 "[ . 1]" 1
482 1 51 LEU HB2 1 52 ALA H 4.000 . 5.000 3.425 2.900 4.132 . 0 0 "[ . 1]" 1
483 1 51 LEU HB3 1 52 ALA H 4.000 . 5.000 3.002 2.586 3.400 . 0 0 "[ . 1]" 1
484 1 51 LEU MD2 1 54 LEU HB2 4.000 . 5.000 4.409 2.972 5.006 0.006 8 0 "[ . 1]" 1
485 1 52 ALA H 1 52 ALA HA 3.000 . 3.500 2.805 2.786 2.826 . 0 0 "[ . 1]" 1
486 1 52 ALA H 1 52 ALA MB 3.000 . 3.500 2.062 2.017 2.200 . 0 0 "[ . 1]" 1
487 1 52 ALA HA 1 53 GLU H 4.000 . 5.000 3.566 3.558 3.577 . 0 0 "[ . 1]" 1
488 1 52 ALA HA 1 55 THR HB 3.000 . 3.500 3.415 3.178 3.508 0.008 1 0 "[ . 1]" 1
489 1 52 ALA HA 1 63 ILE HG12 3.000 . 3.500 3.522 3.473 3.580 0.080 2 0 "[ . 1]" 1
490 1 52 ALA MB 1 53 GLU H 4.000 . 5.000 2.436 2.277 2.526 . 0 0 "[ . 1]" 1
491 1 52 ALA MB 1 63 ILE MD 3.000 . 3.500 1.937 1.781 2.129 0.019 7 0 "[ . 1]" 1
492 1 52 ALA MB 1 63 ILE HG13 4.000 . 5.000 3.100 2.861 3.271 . 0 0 "[ . 1]" 1
493 1 52 ALA MB 1 63 ILE MG 3.000 . 3.500 2.378 1.865 3.512 0.012 2 0 "[ . 1]" 1
494 1 52 ALA MB 1 67 VAL MG1 4.000 . 5.000 4.399 3.817 4.798 . 0 0 "[ . 1]" 1
495 1 53 GLU H 1 53 GLU HA 3.000 . 3.500 2.812 2.787 2.833 . 0 0 "[ . 1]" 1
496 1 53 GLU H 1 53 GLU HB2 4.000 . 5.000 3.488 2.638 3.596 . 0 0 "[ . 1]" 1
497 1 53 GLU H 1 53 GLU HB3 4.000 . 5.000 2.676 2.380 2.858 . 0 0 "[ . 1]" 1
498 1 53 GLU H 1 54 LEU H 3.000 . 3.500 2.649 2.563 2.761 . 0 0 "[ . 1]" 1
499 1 53 GLU HA 1 53 GLU HB2 3.000 . 3.500 2.507 2.382 2.594 . 0 0 "[ . 1]" 1
500 1 53 GLU HA 1 53 GLU HB3 3.000 . 3.500 2.441 2.319 3.015 . 0 0 "[ . 1]" 1
501 1 53 GLU HA 1 58 LYS QE 4.000 . 5.000 4.984 4.757 5.055 0.055 2 0 "[ . 1]" 1
502 1 53 GLU HA 1 59 LEU QD 4.000 . 5.000 3.430 1.909 3.923 . 0 0 "[ . 1]" 1
503 1 53 GLU QB 1 59 LEU MD1 4.000 . 5.000 4.655 4.193 5.122 0.122 6 0 "[ . 1]" 1
504 1 53 GLU HB2 1 54 LEU H 4.000 . 5.000 3.766 3.483 4.160 . 0 0 "[ . 1]" 1
505 1 53 GLU HB3 1 59 LEU MD2 4.000 . 5.000 4.866 3.836 5.066 0.066 4 0 "[ . 1]" 1
506 1 54 LEU H 1 54 LEU HA 3.000 . 3.500 2.813 2.793 2.865 . 0 0 "[ . 1]" 1
507 1 54 LEU H 1 54 LEU HB2 3.000 . 3.500 2.126 2.054 2.311 . 0 0 "[ . 1]" 1
508 1 54 LEU H 1 54 LEU HB3 3.000 . 3.500 3.291 2.967 3.543 0.043 5 0 "[ . 1]" 1
509 1 54 LEU H 1 54 LEU MD1 4.000 . 5.000 2.979 2.509 3.551 . 0 0 "[ . 1]" 1
510 1 54 LEU H 1 54 LEU MD2 4.000 . 5.000 4.157 3.902 4.336 . 0 0 "[ . 1]" 1
511 1 54 LEU H 1 54 LEU HG 4.000 . 5.000 3.992 2.713 4.508 . 0 0 "[ . 1]" 1
512 1 54 LEU H 1 55 THR H 3.000 . 3.500 2.625 2.504 2.693 . 0 0 "[ . 1]" 1
513 1 54 LEU HA 1 54 LEU HB2 3.000 . 3.500 2.865 2.701 3.003 . 0 0 "[ . 1]" 1
514 1 54 LEU HA 1 54 LEU HB3 3.000 . 3.500 2.801 2.582 2.957 . 0 0 "[ . 1]" 1
515 1 54 LEU HA 1 54 LEU MD1 4.000 . 5.000 2.647 2.060 3.793 . 0 0 "[ . 1]" 1
516 1 54 LEU HA 1 54 LEU HG 3.000 . 3.500 2.447 2.215 2.594 . 0 0 "[ . 1]" 1
517 1 54 LEU HA 1 55 THR H 3.000 . 3.500 3.500 3.477 3.529 0.029 10 0 "[ . 1]" 1
518 1 54 LEU HA 1 57 ASN H 4.000 . 5.000 3.827 3.529 4.045 . 0 0 "[ . 1]" 1
519 1 54 LEU HB2 1 55 THR H 4.000 . 5.000 3.210 2.846 3.642 . 0 0 "[ . 1]" 1
520 1 55 THR H 1 55 THR HA 3.000 . 3.500 2.878 2.817 2.890 . 0 0 "[ . 1]" 1
521 1 55 THR H 1 55 THR HB 3.000 . 3.500 2.583 2.474 2.839 . 0 0 "[ . 1]" 1
522 1 55 THR H 1 55 THR MG 4.000 . 5.000 3.761 3.725 3.776 . 0 0 "[ . 1]" 1
523 1 55 THR H 1 56 MET H 3.000 . 3.500 2.447 2.339 2.711 . 0 0 "[ . 1]" 1
524 1 55 THR HA 1 55 THR MG 3.000 . 3.500 2.360 2.191 2.493 . 0 0 "[ . 1]" 1
525 1 55 THR HA 1 56 MET H 4.000 . 5.000 3.524 3.481 3.575 . 0 0 "[ . 1]" 1
526 1 55 THR HA 1 71 ILE MG 4.000 . 5.000 4.835 4.468 5.023 0.023 5 0 "[ . 1]" 1
527 1 55 THR HB 1 56 MET H 3.000 . 3.500 2.726 2.572 2.950 . 0 0 "[ . 1]" 1
528 1 55 THR HB 1 71 ILE MD 4.000 . 5.000 3.784 2.036 4.965 . 0 0 "[ . 1]" 1
529 1 55 THR HB 1 71 ILE MG 4.000 . 5.000 3.231 2.679 3.583 . 0 0 "[ . 1]" 1
530 1 55 THR MG 1 56 MET H 4.000 . 5.000 3.741 3.536 4.056 . 0 0 "[ . 1]" 1
531 1 55 THR MG 1 70 PHE QD 4.000 . 5.000 4.126 3.037 4.862 . 0 0 "[ . 1]" 1
532 1 56 MET H 1 56 MET HA 3.000 . 3.500 2.929 2.921 2.945 . 0 0 "[ . 1]" 1
533 1 56 MET H 1 56 MET ME 4.000 . 5.000 4.368 3.353 4.981 . 0 0 "[ . 1]" 1
534 1 56 MET H 1 56 MET HG2 4.000 . 5.000 4.394 2.321 4.768 . 0 0 "[ . 1]" 1
535 1 56 MET H 1 56 MET HG3 4.000 . 5.000 4.294 3.580 4.592 . 0 0 "[ . 1]" 1
536 1 56 MET H 1 57 ASN H 4.000 . 5.000 2.510 2.153 2.682 . 0 0 "[ . 1]" 1
537 1 56 MET H 1 59 LEU MD1 4.000 . 5.000 4.828 4.396 5.020 0.020 10 0 "[ . 1]" 1
538 1 56 MET HA 1 56 MET ME 4.000 . 5.000 3.760 2.294 4.706 . 0 0 "[ . 1]" 1
539 1 56 MET HA 1 56 MET HG2 4.000 . 5.000 3.332 2.026 3.661 . 0 0 "[ . 1]" 1
540 1 56 MET HA 1 56 MET HG3 4.000 . 5.000 2.584 2.046 3.808 . 0 0 "[ . 1]" 1
541 1 56 MET QB 1 57 ASN H 4.000 . 5.000 3.511 2.787 3.690 . 0 0 "[ . 1]" 1
542 1 56 MET QB 1 57 ASN HA 4.000 . 5.000 5.034 4.745 5.135 0.135 1 0 "[ . 1]" 1
543 1 56 MET QB 1 59 LEU HA 4.000 . 5.000 4.365 3.970 5.066 0.066 6 0 "[ . 1]" 1
544 1 56 MET QB 1 59 LEU MD1 4.000 . 5.000 2.599 1.803 3.037 . 0 0 "[ . 1]" 1
545 1 56 MET ME 1 64 PRO HD3 4.000 . 5.000 3.213 2.148 5.002 0.002 2 0 "[ . 1]" 1
546 1 56 MET ME 1 67 VAL H 4.000 . 5.000 4.559 4.240 5.000 0.000 8 0 "[ . 1]" 1
547 1 56 MET ME 1 67 VAL HA 4.000 . 5.000 4.385 3.486 4.822 . 0 0 "[ . 1]" 1
548 1 56 MET ME 1 67 VAL MG1 3.000 . 3.500 2.006 1.791 2.493 0.009 5 0 "[ . 1]" 1
549 1 56 MET ME 1 67 VAL MG2 3.000 . 3.500 2.025 1.828 2.678 . 0 0 "[ . 1]" 1
550 1 56 MET QG 1 59 LEU MD1 4.000 . 5.000 2.680 1.842 3.972 . 0 0 "[ . 1]" 1
551 1 56 MET QG 1 67 VAL MG1 4.000 . 5.000 3.721 2.468 4.607 . 0 0 "[ . 1]" 1
552 1 56 MET QG 1 67 VAL MG2 4.000 . 5.000 4.219 3.288 4.716 . 0 0 "[ . 1]" 1
553 1 56 MET HG2 1 59 LEU MD2 4.000 . 5.000 4.363 3.701 5.117 0.117 3 0 "[ . 1]" 1
554 1 57 ASN H 1 57 ASN HA 3.000 . 3.500 2.311 2.263 2.665 . 0 0 "[ . 1]" 1
555 1 57 ASN H 1 57 ASN HB2 4.000 . 5.000 3.334 3.090 3.769 . 0 0 "[ . 1]" 1
556 1 57 ASN H 1 57 ASN HB3 4.000 . 5.000 4.020 3.886 4.108 . 0 0 "[ . 1]" 1
557 1 57 ASN HA 1 58 LYS H 4.000 . 5.000 2.807 2.152 3.568 . 0 0 "[ . 1]" 1
558 1 57 ASN HA 1 58 LYS HB2 4.000 . 5.000 4.560 4.106 5.033 0.033 7 0 "[ . 1]" 1
559 1 57 ASN HB2 1 58 LYS H 4.000 . 5.000 3.691 1.931 4.639 . 0 0 "[ . 1]" 1
560 1 57 ASN HB3 1 57 ASN HD22 4.000 . 5.000 3.655 3.436 4.078 . 0 0 "[ . 1]" 1
561 1 58 LYS H 1 58 LYS HA 3.000 . 3.500 2.522 2.266 2.906 . 0 0 "[ . 1]" 1
562 1 58 LYS H 1 58 LYS HB2 3.000 . 3.500 3.126 2.763 3.434 . 0 0 "[ . 1]" 1
563 1 58 LYS HA 1 58 LYS QD 4.000 . 5.000 2.847 1.931 3.537 . 0 0 "[ . 1]" 1
564 1 58 LYS HA 1 59 LEU H 3.000 . 3.500 2.806 2.259 2.981 . 0 0 "[ . 1]" 1
565 1 58 LYS HB2 1 58 LYS QE 4.000 . 5.000 3.497 3.350 3.711 . 0 0 "[ . 1]" 1
566 1 58 LYS HB2 1 59 LEU HA 4.000 . 5.000 5.026 4.978 5.061 0.061 1 0 "[ . 1]" 1
567 1 58 LYS HB3 1 59 LEU H 4.000 . 5.000 4.324 4.057 4.380 . 0 0 "[ . 1]" 1
568 1 58 LYS QE 1 59 LEU HA 4.000 . 5.000 4.946 4.829 5.014 0.014 5 0 "[ . 1]" 1
569 1 59 LEU H 1 59 LEU HB2 3.000 . 3.500 3.046 2.415 3.544 0.044 6 0 "[ . 1]" 1
570 1 59 LEU H 1 59 LEU HB3 3.000 . 3.500 2.663 2.276 3.550 0.050 2 0 "[ . 1]" 1
571 1 59 LEU H 1 59 LEU MD1 4.000 . 5.000 3.953 3.787 4.199 . 0 0 "[ . 1]" 1
572 1 59 LEU H 1 59 LEU MD2 4.000 . 5.000 3.831 2.119 4.214 . 0 0 "[ . 1]" 1
573 1 59 LEU HA 1 59 LEU MD1 4.000 . 5.000 3.246 1.949 3.914 . 0 0 "[ . 1]" 1
574 1 59 LEU HA 1 60 TYR H 3.000 . 3.500 2.152 2.123 2.236 . 0 0 "[ . 1]" 1
575 1 59 LEU MD1 1 60 TYR H 4.000 . 5.000 3.160 2.284 4.040 . 0 0 "[ . 1]" 1
576 1 59 LEU MD1 1 60 TYR QD 4.000 . 5.000 4.686 3.353 5.087 0.087 3 0 "[ . 1]" 1
577 1 59 LEU MD1 1 63 ILE H 4.000 . 5.000 3.496 2.696 5.048 0.048 2 0 "[ . 1]" 1
578 1 60 TYR H 1 60 TYR HB2 4.000 . 5.000 3.675 2.268 3.906 . 0 0 "[ . 1]" 1
579 1 60 TYR H 1 60 TYR HB3 4.000 . 5.000 3.176 2.906 3.677 . 0 0 "[ . 1]" 1
580 1 60 TYR HB2 1 63 ILE MD 3.000 . 3.500 2.786 2.396 3.565 0.065 6 0 "[ . 1]" 1
581 1 60 TYR HB3 1 63 ILE MD 3.000 . 3.500 3.471 2.740 3.645 0.145 2 0 "[ . 1]" 1
582 1 60 TYR QD 1 63 ILE MD 3.000 . 3.500 3.601 3.538 3.770 0.270 8 0 "[ . 1]" 1
583 1 61 ASP HA 1 62 LYS H 4.000 . 5.000 3.444 3.221 3.575 . 0 0 "[ . 1]" 1
584 1 61 ASP HA 1 63 ILE H 4.000 . 5.000 3.980 3.657 4.797 . 0 0 "[ . 1]" 1
585 1 61 ASP HB3 1 62 LYS H 4.000 . 5.000 3.258 2.476 4.318 . 0 0 "[ . 1]" 1
586 1 62 LYS H 1 63 ILE H 4.000 . 5.000 2.541 1.821 3.543 . 0 0 "[ . 1]" 1
587 1 62 LYS HA 1 62 LYS QD 4.000 . 5.000 3.708 3.136 4.052 . 0 0 "[ . 1]" 1
588 1 62 LYS HA 1 63 ILE H 3.000 . 3.500 3.059 2.359 3.386 . 0 0 "[ . 1]" 1
589 1 62 LYS QB 1 62 LYS QE 4.000 . 5.000 3.056 1.979 3.644 . 0 0 "[ . 1]" 1
590 1 62 LYS QB 1 63 ILE H 4.000 . 5.000 3.614 3.245 3.900 . 0 0 "[ . 1]" 1
591 1 63 ILE H 1 63 ILE HB 3.000 . 3.500 2.574 2.176 2.737 . 0 0 "[ . 1]" 1
592 1 63 ILE H 1 63 ILE MD 4.000 . 5.000 2.101 1.857 2.397 . 0 0 "[ . 1]" 1
593 1 63 ILE H 1 63 ILE HG12 4.000 . 5.000 3.753 3.600 3.991 . 0 0 "[ . 1]" 1
594 1 63 ILE H 1 63 ILE HG13 4.000 . 5.000 2.647 2.252 4.132 . 0 0 "[ . 1]" 1
595 1 63 ILE H 1 63 ILE MG 4.000 . 5.000 3.746 3.572 3.774 . 0 0 "[ . 1]" 1
596 1 63 ILE HA 1 63 ILE MD 4.000 . 5.000 3.491 2.108 3.772 . 0 0 "[ . 1]" 1
597 1 63 ILE HA 1 63 ILE HG12 4.000 . 5.000 3.394 3.236 3.576 . 0 0 "[ . 1]" 1
598 1 63 ILE HA 1 64 PRO HD2 3.000 . 3.500 2.367 2.107 2.683 . 0 0 "[ . 1]" 1
599 1 63 ILE HA 1 64 PRO HD3 3.000 . 3.500 2.127 1.916 2.355 . 0 0 "[ . 1]" 1
600 1 63 ILE HB 1 68 TRP HE1 4.000 . 5.000 3.743 2.819 5.009 0.009 2 0 "[ . 1]" 1
601 1 63 ILE MD 1 68 TRP HZ2 4.000 . 5.000 4.602 3.717 5.016 0.016 2 0 "[ . 1]" 1
602 1 63 ILE MG 1 64 PRO HD2 3.000 . 3.500 2.416 2.137 2.752 . 0 0 "[ . 1]" 1
603 1 63 ILE MG 1 64 PRO HD3 3.000 . 3.500 3.465 3.199 3.511 0.011 8 0 "[ . 1]" 1
604 1 63 ILE MG 1 67 VAL H 4.000 . 5.000 4.205 3.534 4.485 . 0 0 "[ . 1]" 1
605 1 63 ILE MG 1 67 VAL HB 3.000 . 3.500 2.350 1.818 2.601 . 0 0 "[ . 1]" 1
606 1 63 ILE MG 1 67 VAL MG1 3.000 . 3.500 2.735 2.448 2.958 . 0 0 "[ . 1]" 1
607 1 63 ILE MG 1 67 VAL MG2 3.000 . 3.500 3.333 2.679 3.519 0.019 3 0 "[ . 1]" 1
608 1 63 ILE MG 1 68 TRP H 4.000 . 5.000 2.930 2.823 3.039 . 0 0 "[ . 1]" 1
609 1 63 ILE MG 1 68 TRP HE1 4.000 . 5.000 3.459 3.167 4.517 . 0 0 "[ . 1]" 1
610 1 63 ILE MG 1 69 LYS H 4.000 . 5.000 5.014 4.910 5.060 0.060 4 0 "[ . 1]" 1
611 1 64 PRO QB 1 67 VAL MG2 3.000 . 3.500 2.825 1.945 3.505 0.005 8 0 "[ . 1]" 1
612 1 64 PRO HD2 1 67 VAL MG2 3.000 . 3.500 2.049 1.930 2.382 . 0 0 "[ . 1]" 1
613 1 64 PRO HD3 1 67 VAL MG1 4.000 . 5.000 4.708 4.428 5.010 0.010 2 0 "[ . 1]" 1
614 1 64 PRO HD3 1 67 VAL MG2 3.000 . 3.500 3.230 2.878 3.517 0.017 2 0 "[ . 1]" 1
615 1 64 PRO QG 1 67 VAL MG2 3.000 . 3.500 2.069 1.820 2.725 . 0 0 "[ . 1]" 1
616 1 66 SER HA 1 67 VAL H 4.000 . 5.000 3.550 3.543 3.554 . 0 0 "[ . 1]" 1
617 1 66 SER HA 1 69 LYS QB 3.000 . 3.500 2.750 2.318 3.520 0.020 6 0 "[ . 1]" 1
618 1 66 SER HA 1 69 LYS QD 4.000 . 5.000 3.935 2.832 5.001 0.001 7 0 "[ . 1]" 1
619 1 67 VAL H 1 67 VAL HA 3.000 . 3.500 2.814 2.778 2.840 . 0 0 "[ . 1]" 1
620 1 67 VAL H 1 67 VAL HB 3.000 . 3.500 2.652 2.609 2.696 . 0 0 "[ . 1]" 1
621 1 67 VAL H 1 67 VAL MG1 4.000 . 5.000 3.765 3.757 3.773 . 0 0 "[ . 1]" 1
622 1 67 VAL H 1 67 VAL MG2 3.000 . 3.500 2.030 1.957 2.165 . 0 0 "[ . 1]" 1
623 1 67 VAL HA 1 67 VAL HB 3.000 . 3.500 3.019 3.015 3.022 . 0 0 "[ . 1]" 1
624 1 67 VAL HA 1 67 VAL MG1 3.000 . 3.500 2.291 2.214 2.403 . 0 0 "[ . 1]" 1
625 1 67 VAL HA 1 67 VAL MG2 3.000 . 3.500 2.439 2.368 2.506 . 0 0 "[ . 1]" 1
626 1 67 VAL HA 1 68 TRP H 4.000 . 5.000 3.560 3.533 3.577 . 0 0 "[ . 1]" 1
627 1 67 VAL HA 1 70 PHE H 4.000 . 5.000 3.515 3.422 3.614 . 0 0 "[ . 1]" 1
628 1 67 VAL HA 1 70 PHE QB 3.000 . 3.500 2.935 2.668 3.269 . 0 0 "[ . 1]" 1
629 1 67 VAL HB 1 68 TRP H 4.000 . 5.000 2.369 2.153 2.616 . 0 0 "[ . 1]" 1
630 1 67 VAL MG1 1 68 TRP H 4.000 . 5.000 3.445 3.279 3.632 . 0 0 "[ . 1]" 1
631 1 67 VAL MG2 1 68 TRP H 4.000 . 5.000 3.640 3.568 3.720 . 0 0 "[ . 1]" 1
632 1 68 TRP H 1 68 TRP HB2 4.000 . 5.000 2.071 2.059 2.096 . 0 0 "[ . 1]" 1
633 1 68 TRP H 1 68 TRP HB3 4.000 . 5.000 3.290 3.238 3.377 . 0 0 "[ . 1]" 1
634 1 68 TRP H 1 69 LYS H 4.000 . 5.000 2.686 2.594 2.756 . 0 0 "[ . 1]" 1
635 1 68 TRP HA 1 68 TRP HZ3 4.000 . 5.000 4.236 4.060 4.771 . 0 0 "[ . 1]" 1
636 1 68 TRP HA 1 69 LYS H 4.000 . 5.000 3.513 3.447 3.544 . 0 0 "[ . 1]" 1
637 1 68 TRP HA 1 71 ILE HB 4.000 . 5.000 4.390 2.572 5.004 0.004 10 0 "[ . 1]" 1
638 1 68 TRP HB2 1 68 TRP HE1 4.000 . 5.000 4.781 4.729 4.997 . 0 0 "[ . 1]" 1
639 1 68 TRP HB2 1 69 LYS H 4.000 . 5.000 3.241 3.143 3.382 . 0 0 "[ . 1]" 1
640 1 68 TRP HB3 1 68 TRP HE1 4.000 . 5.000 5.023 4.798 5.110 0.110 1 0 "[ . 1]" 1
641 1 68 TRP HB3 1 69 LYS H 4.000 . 5.000 3.060 2.800 3.516 . 0 0 "[ . 1]" 1
642 1 68 TRP HZ2 1 71 ILE MG 4.000 . 5.000 5.014 4.997 5.051 0.051 2 0 "[ . 1]" 1
643 1 69 LYS H 1 69 LYS QD 4.000 . 5.000 4.236 3.227 4.760 . 0 0 "[ . 1]" 1
644 1 69 LYS H 1 69 LYS QG 4.000 . 5.000 3.651 2.585 3.997 . 0 0 "[ . 1]" 1
645 1 69 LYS HA 1 69 LYS QE 4.000 . 5.000 4.237 2.354 4.810 . 0 0 "[ . 1]" 1
646 1 69 LYS HA 1 70 PHE H 4.000 . 5.000 3.494 3.471 3.541 . 0 0 "[ . 1]" 1
647 1 69 LYS QB 1 69 LYS QE 4.000 . 5.000 3.287 2.568 3.693 . 0 0 "[ . 1]" 1
648 1 69 LYS QB 1 70 PHE H 4.000 . 5.000 2.873 2.556 3.594 . 0 0 "[ . 1]" 1
649 1 69 LYS QB 1 70 PHE HA 4.000 . 5.000 4.003 3.805 4.566 . 0 0 "[ . 1]" 1
650 1 69 LYS QB 1 70 PHE QB 4.000 . 5.000 4.097 3.727 4.883 . 0 0 "[ . 1]" 1
651 1 70 PHE H 1 70 PHE QB 3.000 . 3.500 2.223 2.149 2.276 . 0 0 "[ . 1]" 1
652 1 70 PHE H 1 71 ILE H 3.000 . 3.500 2.617 2.514 2.708 . 0 0 "[ . 1]" 1
653 1 70 PHE HA 1 70 PHE QD 4.000 . 5.000 2.600 2.033 3.027 . 0 0 "[ . 1]" 1
654 1 70 PHE QB 1 71 ILE H 3.000 . 3.500 2.434 2.349 2.589 . 0 0 "[ . 1]" 1
655 1 71 ILE H 1 71 ILE HA 3.000 . 3.500 2.878 2.703 2.919 . 0 0 "[ . 1]" 1
656 1 71 ILE H 1 71 ILE HB 4.000 . 5.000 2.807 2.609 3.642 . 0 0 "[ . 1]" 1
657 1 71 ILE H 1 71 ILE MD 4.000 . 5.000 4.077 3.046 4.504 . 0 0 "[ . 1]" 1
658 1 71 ILE H 1 71 ILE HG12 4.000 . 5.000 4.077 1.938 4.609 . 0 0 "[ . 1]" 1
659 1 71 ILE H 1 71 ILE HG13 4.000 . 5.000 3.861 1.991 4.757 . 0 0 "[ . 1]" 1
660 1 71 ILE H 1 71 ILE MG 4.000 . 5.000 2.392 1.943 3.775 . 0 0 "[ . 1]" 1
661 1 71 ILE HA 1 71 ILE MD 4.000 . 5.000 3.546 2.962 4.160 . 0 0 "[ . 1]" 1
662 1 71 ILE HA 1 71 ILE HG12 3.000 . 3.500 3.208 2.326 3.600 0.100 2 0 "[ . 1]" 1
663 1 71 ILE HA 1 71 ILE HG13 4.000 . 5.000 2.688 2.285 3.745 . 0 0 "[ . 1]" 1
664 1 71 ILE HA 1 71 ILE MG 3.000 . 3.500 2.939 2.280 3.208 . 0 0 "[ . 1]" 1
665 1 71 ILE HA 1 72 ARG H 3.000 . 3.500 2.158 2.140 2.232 . 0 0 "[ . 1]" 1
666 1 71 ILE MG 1 72 ARG H 4.000 . 5.000 3.700 2.527 4.140 . 0 0 "[ . 1]" 1
667 1 72 ARG H 1 72 ARG QB 3.000 . 3.500 2.647 2.219 3.324 . 0 0 "[ . 1]" 1
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