NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
378580 |
1hdj   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1hdj
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 849
_Distance_constraint_stats_list.Viol_count 1605
_Distance_constraint_stats_list.Viol_total 1864.630
_Distance_constraint_stats_list.Viol_max 0.112
_Distance_constraint_stats_list.Viol_rms 0.0184
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0055
_Distance_constraint_stats_list.Viol_average_violations_only 0.0581
_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 3 LYS 0.794 0.085 17 0 "[ . 1 . 2]"
1 4 ASP 1.065 0.095 20 0 "[ . 1 . 2]"
1 5 TYR 1.517 0.082 17 0 "[ . 1 . 2]"
1 6 TYR 1.668 0.095 16 0 "[ . 1 . 2]"
1 7 GLN 2.240 0.099 4 0 "[ . 1 . 2]"
1 8 THR 3.503 0.099 4 0 "[ . 1 . 2]"
1 9 LEU 2.325 0.087 19 0 "[ . 1 . 2]"
1 10 GLY 0.869 0.082 11 0 "[ . 1 . 2]"
1 11 LEU 0.507 0.082 11 0 "[ . 1 . 2]"
1 12 ALA 0.488 0.066 1 0 "[ . 1 . 2]"
1 13 ARG 0.830 0.072 16 0 "[ . 1 . 2]"
1 14 GLY 0.127 0.064 11 0 "[ . 1 . 2]"
1 15 ALA 1.419 0.079 11 0 "[ . 1 . 2]"
1 16 SER 2.071 0.090 9 0 "[ . 1 . 2]"
1 17 ASP 1.600 0.090 9 0 "[ . 1 . 2]"
1 18 GLU 2.229 0.084 18 0 "[ . 1 . 2]"
1 19 GLU 4.575 0.088 11 0 "[ . 1 . 2]"
1 20 ILE 3.188 0.088 11 0 "[ . 1 . 2]"
1 21 LYS 2.677 0.086 14 0 "[ . 1 . 2]"
1 22 ARG 1.437 0.083 3 0 "[ . 1 . 2]"
1 23 ALA 1.931 0.095 20 0 "[ . 1 . 2]"
1 24 TYR 5.398 0.099 7 0 "[ . 1 . 2]"
1 25 ARG 0.611 0.065 17 0 "[ . 1 . 2]"
1 26 ARG 0.475 0.060 10 0 "[ . 1 . 2]"
1 27 GLN 4.910 0.096 2 0 "[ . 1 . 2]"
1 28 ALA 1.001 0.082 10 0 "[ . 1 . 2]"
1 29 LEU 1.269 0.082 1 0 "[ . 1 . 2]"
1 30 ARG 3.662 0.084 1 0 "[ . 1 . 2]"
1 31 TYR 3.467 0.091 18 0 "[ . 1 . 2]"
1 32 HIS 1.841 0.084 16 0 "[ . 1 . 2]"
1 33 PRO 0.283 0.067 15 0 "[ . 1 . 2]"
1 34 ASP 0.492 0.073 13 0 "[ . 1 . 2]"
1 35 LYS 2.293 0.084 16 0 "[ . 1 . 2]"
1 36 ASN 3.726 0.091 18 0 "[ . 1 . 2]"
1 37 LYS 3.753 0.112 19 0 "[ . 1 . 2]"
1 38 GLU 2.172 0.089 18 0 "[ . 1 . 2]"
1 39 PRO 1.506 0.107 16 0 "[ . 1 . 2]"
1 40 GLY 1.478 0.107 16 0 "[ . 1 . 2]"
1 41 ALA 1.832 0.087 9 0 "[ . 1 . 2]"
1 42 GLU 1.652 0.075 10 0 "[ . 1 . 2]"
1 43 GLU 2.717 0.083 7 0 "[ . 1 . 2]"
1 44 LYS 5.506 0.092 13 0 "[ . 1 . 2]"
1 45 PHE 2.840 0.085 10 0 "[ . 1 . 2]"
1 46 LYS 3.165 0.082 3 0 "[ . 1 . 2]"
1 47 GLU 4.860 0.107 6 0 "[ . 1 . 2]"
1 48 ILE 3.124 0.087 9 0 "[ . 1 . 2]"
1 49 ALA 2.890 0.089 14 0 "[ . 1 . 2]"
1 50 GLU 4.419 0.081 11 0 "[ . 1 . 2]"
1 51 ALA 1.155 0.082 17 0 "[ . 1 . 2]"
1 52 TYR 2.567 0.081 16 0 "[ . 1 . 2]"
1 53 ASP 2.896 0.089 14 0 "[ . 1 . 2]"
1 54 VAL 0.635 0.078 13 0 "[ . 1 . 2]"
1 55 LEU 1.953 0.091 16 0 "[ . 1 . 2]"
1 56 SER 0.543 0.071 14 0 "[ . 1 . 2]"
1 57 ASP 0.679 0.086 2 0 "[ . 1 . 2]"
1 58 PRO 0.508 0.075 12 0 "[ . 1 . 2]"
1 59 ARG 1.133 0.085 3 0 "[ . 1 . 2]"
1 60 LYS 1.076 0.090 13 0 "[ . 1 . 2]"
1 61 ARG 1.954 0.099 13 0 "[ . 1 . 2]"
1 62 GLU 3.406 0.081 7 0 "[ . 1 . 2]"
1 63 ILE 3.008 0.090 13 0 "[ . 1 . 2]"
1 64 PHE 1.701 0.095 20 0 "[ . 1 . 2]"
1 65 ASP 1.162 0.078 2 0 "[ . 1 . 2]"
1 66 ARG 4.093 0.093 11 0 "[ . 1 . 2]"
1 67 TYR 4.305 0.097 17 0 "[ . 1 . 2]"
1 68 GLY 0.929 0.085 6 0 "[ . 1 . 2]"
1 69 GLU 1.489 0.096 4 0 "[ . 1 . 2]"
1 70 GLU 0.917 0.093 15 0 "[ . 1 . 2]"
1 71 GLY 1.556 0.097 17 0 "[ . 1 . 2]"
1 72 LEU 0.637 0.074 4 0 "[ . 1 . 2]"
1 73 LYS 0.698 0.079 11 0 "[ . 1 . 2]"
1 74 GLY 0.536 0.079 11 0 "[ . 1 . 2]"
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 3 LYS H 1 3 LYS HB2 . . 3.500 2.994 2.247 3.576 0.076 10 0 "[ . 1 . 2]" 1
2 1 3 LYS H 1 3 LYS HB3 . . 3.500 2.941 2.320 3.585 0.085 17 0 "[ . 1 . 2]" 1
3 1 3 LYS HA 1 4 ASP H . . 3.300 2.369 2.047 3.282 . 0 0 "[ . 1 . 2]" 1
4 1 3 LYS QB 1 4 ASP H . . 4.480 3.561 2.413 4.082 . 0 0 "[ . 1 . 2]" 1
5 1 3 LYS QE 1 5 TYR CZ . . 8.000 5.023 2.591 7.197 . 0 0 "[ . 1 . 2]" 1
6 1 4 ASP H 1 4 ASP HB2 . . 3.700 3.107 2.409 3.783 0.083 6 0 "[ . 1 . 2]" 1
7 1 4 ASP H 1 4 ASP HB3 . . 3.700 3.241 2.267 3.782 0.082 4 0 "[ . 1 . 2]" 1
8 1 4 ASP HA 1 5 TYR H . . 3.500 2.761 2.156 3.574 0.074 4 0 "[ . 1 . 2]" 1
9 1 4 ASP HA 1 64 PHE CZ . . 7.000 4.531 3.284 5.583 . 0 0 "[ . 1 . 2]" 1
10 1 4 ASP HA 1 64 PHE HZ . . 4.500 3.832 2.273 4.595 0.095 20 0 "[ . 1 . 2]" 1
11 1 4 ASP QB 1 7 GLN H . . 5.880 3.395 1.890 5.086 . 0 0 "[ . 1 . 2]" 1
12 1 5 TYR CG 1 6 TYR H . . 6.700 4.565 4.071 5.194 . 0 0 "[ . 1 . 2]" 1
13 1 5 TYR CG 1 6 TYR QB . . 7.880 6.313 5.864 6.800 . 0 0 "[ . 1 . 2]" 1
14 1 5 TYR CG 1 8 THR HB . . 7.000 5.145 4.481 6.002 . 0 0 "[ . 1 . 2]" 1
15 1 5 TYR CG 1 8 THR MG . . 8.000 5.494 4.721 6.609 . 0 0 "[ . 1 . 2]" 1
16 1 5 TYR CG 1 51 ALA H . . 7.000 5.592 5.088 6.148 . 0 0 "[ . 1 . 2]" 1
17 1 5 TYR CG 1 51 ALA HA . . 6.500 3.415 2.694 3.971 . 0 0 "[ . 1 . 2]" 1
18 1 5 TYR CG 1 51 ALA MB . . 6.500 3.657 3.017 4.010 . 0 0 "[ . 1 . 2]" 1
19 1 5 TYR CG 1 54 VAL HB . . 7.000 4.106 3.653 4.989 . 0 0 "[ . 1 . 2]" 1
20 1 5 TYR CG 1 54 VAL MG1 . . 8.000 3.603 2.551 4.241 . 0 0 "[ . 1 . 2]" 1
21 1 5 TYR CG 1 54 VAL MG2 . . 8.000 3.631 2.801 5.077 . 0 0 "[ . 1 . 2]" 1
22 1 5 TYR CG 1 55 LEU MD1 . . 8.000 4.772 3.575 6.040 . 0 0 "[ . 1 . 2]" 1
23 1 5 TYR CG 1 55 LEU MD2 . . 8.000 5.303 4.282 6.103 . 0 0 "[ . 1 . 2]" 1
24 1 5 TYR CG 1 64 PHE CG . . 9.000 5.940 5.037 6.819 . 0 0 "[ . 1 . 2]" 1
25 1 5 TYR CG 1 64 PHE CZ . . 9.000 5.167 3.827 6.862 . 0 0 "[ . 1 . 2]" 1
26 1 5 TYR CG 1 64 PHE QB . . 8.000 5.907 4.611 6.567 . 0 0 "[ . 1 . 2]" 1
27 1 5 TYR CG 1 64 PHE HZ . . 7.000 5.235 3.564 7.074 0.074 15 0 "[ . 1 . 2]" 1
28 1 5 TYR CZ 1 50 GLU HB2 . . 7.000 6.279 5.143 7.080 0.080 7 0 "[ . 1 . 2]" 1
29 1 5 TYR CZ 1 50 GLU HB3 . . 5.900 4.981 3.488 5.860 . 0 0 "[ . 1 . 2]" 1
30 1 5 TYR CZ 1 50 GLU QG . . 8.000 3.824 2.859 5.263 . 0 0 "[ . 1 . 2]" 1
31 1 5 TYR CZ 1 51 ALA HA . . 7.000 4.751 3.287 5.677 . 0 0 "[ . 1 . 2]" 1
32 1 5 TYR CZ 1 51 ALA MB . . 7.800 5.111 4.193 5.641 . 0 0 "[ . 1 . 2]" 1
33 1 5 TYR CZ 1 54 VAL MG1 . . 7.700 4.822 3.827 6.003 . 0 0 "[ . 1 . 2]" 1
34 1 5 TYR CZ 1 54 VAL MG2 . . 7.700 3.721 2.770 5.886 . 0 0 "[ . 1 . 2]" 1
35 1 5 TYR CZ 1 64 PHE CG . . 9.000 7.227 6.250 8.404 . 0 0 "[ . 1 . 2]" 1
36 1 5 TYR CZ 1 64 PHE CZ . . 9.000 6.935 5.475 8.962 . 0 0 "[ . 1 . 2]" 1
37 1 5 TYR CZ 1 64 PHE QB . . 8.000 6.682 5.145 7.178 . 0 0 "[ . 1 . 2]" 1
38 1 5 TYR CZ 1 72 LEU MD1 . . 8.000 4.412 2.680 6.118 . 0 0 "[ . 1 . 2]" 1
39 1 5 TYR CZ 1 72 LEU QD . . 7.590 3.437 2.590 5.075 . 0 0 "[ . 1 . 2]" 1
40 1 5 TYR CZ 1 72 LEU MD2 . . 8.000 4.232 2.596 6.599 . 0 0 "[ . 1 . 2]" 1
41 1 5 TYR H 1 5 TYR HB2 . . 3.800 3.026 2.300 3.739 . 0 0 "[ . 1 . 2]" 1
42 1 5 TYR H 1 5 TYR HB3 . . 4.100 3.878 3.502 4.149 0.049 12 0 "[ . 1 . 2]" 1
43 1 5 TYR HA 1 5 TYR HB3 . . 3.000 2.475 2.416 2.575 . 0 0 "[ . 1 . 2]" 1
44 1 5 TYR HA 1 8 THR H . . 3.800 3.505 3.091 3.864 0.064 9 0 "[ . 1 . 2]" 1
45 1 5 TYR HA 1 8 THR MG . . 6.000 3.786 3.198 4.506 . 0 0 "[ . 1 . 2]" 1
46 1 5 TYR HA 1 51 ALA HA . . 3.800 3.716 3.082 3.882 0.082 17 0 "[ . 1 . 2]" 1
47 1 5 TYR HB2 1 6 TYR H . . 4.600 2.960 2.128 4.480 . 0 0 "[ . 1 . 2]" 1
48 1 5 TYR HB2 1 55 LEU MD1 . . 5.800 3.711 2.450 4.741 . 0 0 "[ . 1 . 2]" 1
49 1 5 TYR HB2 1 55 LEU QD . . 5.430 3.247 2.436 3.810 . 0 0 "[ . 1 . 2]" 1
50 1 5 TYR HB2 1 55 LEU MD2 . . 5.800 4.055 3.100 4.787 . 0 0 "[ . 1 . 2]" 1
51 1 5 TYR HB3 1 6 TYR CG . . 7.000 5.937 5.327 6.585 . 0 0 "[ . 1 . 2]" 1
52 1 5 TYR HB3 1 6 TYR H . . 5.000 3.710 3.100 4.578 . 0 0 "[ . 1 . 2]" 1
53 1 5 TYR HB3 1 55 LEU MD1 . . 6.000 3.072 2.029 4.315 . 0 0 "[ . 1 . 2]" 1
54 1 5 TYR HB3 1 55 LEU QD . . 5.490 2.719 2.013 3.307 . 0 0 "[ . 1 . 2]" 1
55 1 5 TYR HB3 1 55 LEU MD2 . . 6.000 3.625 2.573 4.680 . 0 0 "[ . 1 . 2]" 1
56 1 6 TYR CG 1 11 LEU QB . . 7.100 3.773 3.155 4.459 . 0 0 "[ . 1 . 2]" 1
57 1 6 TYR CG 1 11 LEU MD1 . . 7.200 4.786 3.534 6.013 . 0 0 "[ . 1 . 2]" 1
58 1 6 TYR CG 1 12 ALA H . . 7.000 5.438 4.302 6.343 . 0 0 "[ . 1 . 2]" 1
59 1 6 TYR CG 1 13 ARG HA . . 7.000 4.552 2.573 6.262 . 0 0 "[ . 1 . 2]" 1
60 1 6 TYR CG 1 13 ARG QB . . 8.000 5.751 3.411 7.161 . 0 0 "[ . 1 . 2]" 1
61 1 6 TYR CG 1 15 ALA MB . . 7.800 4.288 2.583 5.359 . 0 0 "[ . 1 . 2]" 1
62 1 6 TYR CG 1 55 LEU MD1 . . 8.000 3.974 2.907 5.007 . 0 0 "[ . 1 . 2]" 1
63 1 6 TYR CG 1 55 LEU MD2 . . 8.000 3.565 2.663 4.867 . 0 0 "[ . 1 . 2]" 1
64 1 6 TYR CG 1 64 PHE CZ . . 8.700 5.123 4.232 6.975 . 0 0 "[ . 1 . 2]" 1
65 1 6 TYR CG 1 64 PHE HZ . . 7.000 4.863 3.600 6.582 . 0 0 "[ . 1 . 2]" 1
66 1 6 TYR CZ 1 6 TYR HA . . 5.600 4.967 4.639 5.297 . 0 0 "[ . 1 . 2]" 1
67 1 6 TYR CZ 1 11 LEU QB . . 8.000 5.201 4.053 6.149 . 0 0 "[ . 1 . 2]" 1
68 1 6 TYR CZ 1 11 LEU MD1 . . 8.000 5.711 4.204 6.721 . 0 0 "[ . 1 . 2]" 1
69 1 6 TYR CZ 1 13 ARG HA . . 6.900 4.346 2.981 5.690 . 0 0 "[ . 1 . 2]" 1
70 1 6 TYR CZ 1 13 ARG QB . . 8.000 5.685 4.010 7.243 . 0 0 "[ . 1 . 2]" 1
71 1 6 TYR CZ 1 13 ARG QG . . 8.000 5.625 2.799 7.238 . 0 0 "[ . 1 . 2]" 1
72 1 6 TYR CZ 1 15 ALA MB . . 8.000 4.038 2.713 5.827 . 0 0 "[ . 1 . 2]" 1
73 1 6 TYR CZ 1 20 ILE MD . . 8.000 3.934 2.639 5.251 . 0 0 "[ . 1 . 2]" 1
74 1 6 TYR CZ 1 55 LEU MD1 . . 8.000 4.856 3.269 6.553 . 0 0 "[ . 1 . 2]" 1
75 1 6 TYR CZ 1 55 LEU MD2 . . 8.000 4.321 2.549 6.056 . 0 0 "[ . 1 . 2]" 1
76 1 6 TYR CZ 1 64 PHE CG . . 9.000 6.328 4.378 8.208 . 0 0 "[ . 1 . 2]" 1
77 1 6 TYR CZ 1 64 PHE CZ . . 8.900 5.893 4.822 7.150 . 0 0 "[ . 1 . 2]" 1
78 1 6 TYR CZ 1 64 PHE HZ . . 7.000 6.060 5.035 7.080 0.080 13 0 "[ . 1 . 2]" 1
79 1 6 TYR CZ 1 65 ASP HA . . 7.000 5.994 4.639 6.833 . 0 0 "[ . 1 . 2]" 1
80 1 6 TYR H 1 6 TYR HB2 . . 3.400 2.290 2.027 3.009 . 0 0 "[ . 1 . 2]" 1
81 1 6 TYR H 1 6 TYR HB3 . . 3.400 3.451 3.076 3.495 0.095 16 0 "[ . 1 . 2]" 1
82 1 6 TYR H 1 55 LEU MD1 . . 6.000 3.775 3.061 4.838 . 0 0 "[ . 1 . 2]" 1
83 1 6 TYR H 1 55 LEU MD2 . . 6.000 3.904 2.961 4.879 . 0 0 "[ . 1 . 2]" 1
84 1 6 TYR HA 1 11 LEU H . . 4.600 4.178 3.836 4.676 0.076 10 0 "[ . 1 . 2]" 1
85 1 6 TYR HA 1 11 LEU QB . . 6.000 3.044 2.566 3.597 . 0 0 "[ . 1 . 2]" 1
86 1 6 TYR HA 1 20 ILE MD . . 6.000 4.737 4.182 5.049 . 0 0 "[ . 1 . 2]" 1
87 1 6 TYR HA 1 55 LEU MD1 . . 6.000 2.585 2.108 3.431 . 0 0 "[ . 1 . 2]" 1
88 1 6 TYR HA 1 55 LEU QD . . 5.020 2.123 1.888 2.448 . 0 0 "[ . 1 . 2]" 1
89 1 6 TYR HA 1 55 LEU MD2 . . 6.000 2.414 2.012 3.598 . 0 0 "[ . 1 . 2]" 1
90 1 6 TYR QB 1 12 ALA H . . 5.880 4.206 3.342 5.095 . 0 0 "[ . 1 . 2]" 1
91 1 6 TYR QB 1 55 LEU QD . . 7.520 3.549 3.211 3.981 . 0 0 "[ . 1 . 2]" 1
92 1 6 TYR HB2 1 7 GLN H . . 3.600 2.527 2.193 3.015 . 0 0 "[ . 1 . 2]" 1
93 1 6 TYR HB2 1 55 LEU MD1 . . 9.140 4.681 4.077 5.164 . 0 0 "[ . 1 . 2]" 1
94 1 6 TYR HB2 1 55 LEU MD2 . . 9.140 4.475 3.834 5.190 . 0 0 "[ . 1 . 2]" 1
95 1 6 TYR HB3 1 7 GLN H . . 3.600 2.881 2.142 3.337 . 0 0 "[ . 1 . 2]" 1
96 1 6 TYR HB3 1 55 LEU MD1 . . 9.140 4.682 3.881 5.480 . 0 0 "[ . 1 . 2]" 1
97 1 6 TYR HB3 1 55 LEU MD2 . . 9.140 4.327 3.729 5.128 . 0 0 "[ . 1 . 2]" 1
98 1 7 GLN H 1 7 GLN HB2 . . 3.100 2.365 2.007 3.159 0.059 9 0 "[ . 1 . 2]" 1
99 1 7 GLN H 1 7 GLN HB3 . . 3.400 2.899 2.490 3.470 0.070 2 0 "[ . 1 . 2]" 1
100 1 7 GLN H 1 8 THR H . . 3.300 2.694 2.352 2.890 . 0 0 "[ . 1 . 2]" 1
101 1 7 GLN HA 1 7 GLN HB2 . . 2.800 2.681 2.534 2.882 0.082 9 0 "[ . 1 . 2]" 1
102 1 7 GLN HA 1 7 GLN HB3 . . 3.000 2.888 2.158 3.054 0.054 6 0 "[ . 1 . 2]" 1
103 1 7 GLN HA 1 7 GLN HG2 . . 4.100 3.005 2.302 3.744 . 0 0 "[ . 1 . 2]" 1
104 1 7 GLN HA 1 7 GLN HG3 . . 4.100 2.800 2.073 3.809 . 0 0 "[ . 1 . 2]" 1
105 1 7 GLN HA 1 10 GLY H . . 3.800 2.837 2.654 3.379 . 0 0 "[ . 1 . 2]" 1
106 1 7 GLN HA 1 11 LEU H . . 3.800 2.286 1.837 2.861 . 0 0 "[ . 1 . 2]" 1
107 1 7 GLN HA 1 11 LEU MD1 . . 6.000 4.884 4.780 5.003 . 0 0 "[ . 1 . 2]" 1
108 1 7 GLN HB2 1 8 THR H . . 3.900 3.704 2.774 3.984 0.084 6 0 "[ . 1 . 2]" 1
109 1 7 GLN HB3 1 8 THR H . . 3.900 3.202 2.820 3.999 0.099 4 0 "[ . 1 . 2]" 1
110 1 8 THR H 1 8 THR HB . . 3.100 2.587 2.331 2.830 . 0 0 "[ . 1 . 2]" 1
111 1 8 THR H 1 9 LEU H . . 3.800 2.691 2.541 3.011 . 0 0 "[ . 1 . 2]" 1
112 1 8 THR HA 1 8 THR MG . . 3.700 2.408 2.253 2.566 . 0 0 "[ . 1 . 2]" 1
113 1 8 THR HA 1 9 LEU H . . 3.400 3.473 3.441 3.487 0.087 19 0 "[ . 1 . 2]" 1
114 1 8 THR HA 1 10 GLY H . . 3.800 3.773 3.439 3.878 0.078 11 0 "[ . 1 . 2]" 1
115 1 8 THR HA 1 51 ALA MB . . 6.000 4.693 4.401 5.116 . 0 0 "[ . 1 . 2]" 1
116 1 8 THR HB 1 9 LEU H . . 3.100 2.988 2.744 3.180 0.080 16 0 "[ . 1 . 2]" 1
117 1 8 THR HB 1 9 LEU QD . . 7.570 4.817 4.184 5.283 . 0 0 "[ . 1 . 2]" 1
118 1 8 THR HB 1 51 ALA MB . . 4.300 2.400 2.037 3.000 . 0 0 "[ . 1 . 2]" 1
119 1 8 THR MG 1 9 LEU H . . 6.000 3.885 3.611 4.139 . 0 0 "[ . 1 . 2]" 1
120 1 8 THR MG 1 9 LEU HA . . 6.000 4.141 3.800 4.468 . 0 0 "[ . 1 . 2]" 1
121 1 8 THR MG 1 47 GLU HB2 . . 6.000 4.286 3.441 5.046 . 0 0 "[ . 1 . 2]" 1
122 1 8 THR MG 1 47 GLU HB3 . . 5.700 2.946 2.040 3.776 . 0 0 "[ . 1 . 2]" 1
123 1 8 THR MG 1 47 GLU HG2 . . 6.000 3.773 2.230 5.082 . 0 0 "[ . 1 . 2]" 1
124 1 8 THR MG 1 48 ILE H . . 6.000 3.858 3.039 4.688 . 0 0 "[ . 1 . 2]" 1
125 1 8 THR MG 1 48 ILE HA . . 4.600 2.722 1.991 3.722 . 0 0 "[ . 1 . 2]" 1
126 1 8 THR MG 1 51 ALA H . . 6.000 3.819 3.097 4.831 . 0 0 "[ . 1 . 2]" 1
127 1 9 LEU H 1 9 LEU HB2 . . 3.000 2.581 2.151 2.778 . 0 0 "[ . 1 . 2]" 1
128 1 9 LEU H 1 9 LEU HB3 . . 3.000 2.711 2.526 3.077 0.077 12 0 "[ . 1 . 2]" 1
129 1 9 LEU H 1 9 LEU MD1 . . 5.500 4.266 3.990 4.421 . 0 0 "[ . 1 . 2]" 1
130 1 9 LEU H 1 9 LEU QD . . 4.970 3.826 3.678 3.931 . 0 0 "[ . 1 . 2]" 1
131 1 9 LEU H 1 9 LEU MD2 . . 5.500 4.352 3.969 4.565 . 0 0 "[ . 1 . 2]" 1
132 1 9 LEU H 1 9 LEU HG . . 4.700 4.552 3.959 4.719 0.019 16 0 "[ . 1 . 2]" 1
133 1 9 LEU H 1 10 GLY H . . 3.200 2.377 2.135 2.639 . 0 0 "[ . 1 . 2]" 1
134 1 9 LEU H 1 11 LEU H . . 4.800 3.631 2.904 4.502 . 0 0 "[ . 1 . 2]" 1
135 1 9 LEU HA 1 9 LEU HB2 . . 3.000 2.606 2.465 2.919 . 0 0 "[ . 1 . 2]" 1
136 1 9 LEU HA 1 9 LEU HB3 . . 3.000 3.013 2.894 3.054 0.054 6 0 "[ . 1 . 2]" 1
137 1 9 LEU HA 1 9 LEU MD1 . . 4.600 2.697 1.994 3.808 . 0 0 "[ . 1 . 2]" 1
138 1 9 LEU HA 1 9 LEU MD2 . . 4.600 3.155 1.996 3.874 . 0 0 "[ . 1 . 2]" 1
139 1 9 LEU HA 1 27 GLN HB3 . . 4.900 3.957 3.416 4.500 . 0 0 "[ . 1 . 2]" 1
140 1 9 LEU HA 1 27 GLN HE21 . . 5.000 3.168 1.893 4.786 . 0 0 "[ . 1 . 2]" 1
141 1 9 LEU HA 1 27 GLN HE22 . . 5.000 3.922 2.461 5.086 0.086 12 0 "[ . 1 . 2]" 1
142 1 9 LEU HA 1 27 GLN QG . . 4.380 2.854 2.104 4.035 . 0 0 "[ . 1 . 2]" 1
143 1 9 LEU HA 1 48 ILE QG . . 5.880 3.806 2.739 5.061 . 0 0 "[ . 1 . 2]" 1
144 1 9 LEU HA 1 51 ALA MB . . 6.000 4.114 3.374 4.970 . 0 0 "[ . 1 . 2]" 1
145 1 9 LEU QB 1 10 GLY H . . 4.780 3.498 3.108 3.759 . 0 0 "[ . 1 . 2]" 1
146 1 9 LEU QB 1 55 LEU QD . . 5.750 2.129 1.954 2.766 . 0 0 "[ . 1 . 2]" 1
147 1 9 LEU HB2 1 55 LEU MD1 . . 6.850 3.361 2.129 4.954 . 0 0 "[ . 1 . 2]" 1
148 1 9 LEU HB2 1 55 LEU MD2 . . 6.850 3.538 2.181 5.456 . 0 0 "[ . 1 . 2]" 1
149 1 9 LEU HB3 1 55 LEU MD1 . . 6.850 3.413 2.194 4.598 . 0 0 "[ . 1 . 2]" 1
150 1 9 LEU HB3 1 55 LEU MD2 . . 6.850 3.272 2.035 5.137 . 0 0 "[ . 1 . 2]" 1
151 1 9 LEU QD 1 10 GLY H . . 7.570 4.357 3.943 4.562 . 0 0 "[ . 1 . 2]" 1
152 1 9 LEU QD 1 24 TYR CG . . 6.750 3.499 3.049 3.948 . 0 0 "[ . 1 . 2]" 1
153 1 9 LEU QD 1 24 TYR H . . 5.200 2.607 2.361 3.401 . 0 0 "[ . 1 . 2]" 1
154 1 9 LEU QD 1 24 TYR HB3 . . 5.490 3.313 2.503 3.981 . 0 0 "[ . 1 . 2]" 1
155 1 9 LEU QD 1 27 GLN HA . . 7.570 4.586 3.886 5.195 . 0 0 "[ . 1 . 2]" 1
156 1 9 LEU QD 1 27 GLN HB3 . . 5.340 2.618 2.171 3.331 . 0 0 "[ . 1 . 2]" 1
157 1 9 LEU QD 1 27 GLN HE21 . . 7.570 3.486 1.579 4.594 . 0 0 "[ . 1 . 2]" 1
158 1 9 LEU QD 1 27 GLN QG . . 6.540 2.608 1.977 3.502 . 0 0 "[ . 1 . 2]" 1
159 1 9 LEU QD 1 48 ILE HA . . 5.870 3.523 2.724 4.352 . 0 0 "[ . 1 . 2]" 1
160 1 9 LEU QD 1 52 TYR CZ . . 7.350 4.424 3.833 5.161 . 0 0 "[ . 1 . 2]" 1
161 1 9 LEU QD 1 52 TYR H . . 7.570 3.726 2.992 5.271 . 0 0 "[ . 1 . 2]" 1
162 1 9 LEU QD 1 52 TYR HB2 . . 7.570 3.467 2.690 4.824 . 0 0 "[ . 1 . 2]" 1
163 1 9 LEU QD 1 55 LEU QD . . 7.390 2.318 1.872 2.892 . 0 0 "[ . 1 . 2]" 1
164 1 9 LEU MD1 1 24 TYR CG . . 7.500 4.102 3.402 5.007 . 0 0 "[ . 1 . 2]" 1
165 1 9 LEU MD1 1 24 TYR H . . 6.000 3.564 2.391 4.884 . 0 0 "[ . 1 . 2]" 1
166 1 9 LEU MD1 1 24 TYR HB2 . . 5.800 3.187 2.110 4.320 . 0 0 "[ . 1 . 2]" 1
167 1 9 LEU MD1 1 24 TYR HB3 . . 6.000 4.133 2.649 4.816 . 0 0 "[ . 1 . 2]" 1
168 1 9 LEU MD1 1 27 GLN H . . 6.000 4.269 3.076 4.930 . 0 0 "[ . 1 . 2]" 1
169 1 9 LEU MD1 1 27 GLN HB3 . . 6.000 3.109 2.178 4.445 . 0 0 "[ . 1 . 2]" 1
170 1 9 LEU MD1 1 27 GLN HG2 . . 7.750 3.839 2.277 5.583 . 0 0 "[ . 1 . 2]" 1
171 1 9 LEU MD1 1 27 GLN HG3 . . 7.750 3.797 2.147 5.544 . 0 0 "[ . 1 . 2]" 1
172 1 9 LEU MD1 1 52 TYR CZ . . 8.000 5.099 4.168 6.332 . 0 0 "[ . 1 . 2]" 1
173 1 9 LEU MD1 1 55 LEU MD1 . . 10.140 3.898 2.308 5.517 . 0 0 "[ . 1 . 2]" 1
174 1 9 LEU MD1 1 55 LEU MD2 . . 10.140 3.945 2.193 5.909 . 0 0 "[ . 1 . 2]" 1
175 1 9 LEU MD2 1 24 TYR CG . . 7.500 3.887 3.388 4.738 . 0 0 "[ . 1 . 2]" 1
176 1 9 LEU MD2 1 24 TYR H . . 6.000 3.209 2.377 4.446 . 0 0 "[ . 1 . 2]" 1
177 1 9 LEU MD2 1 24 TYR HB2 . . 5.800 3.046 1.941 4.399 . 0 0 "[ . 1 . 2]" 1
178 1 9 LEU MD2 1 24 TYR HB3 . . 6.000 3.754 2.529 4.792 . 0 0 "[ . 1 . 2]" 1
179 1 9 LEU MD2 1 27 GLN H . . 6.000 4.573 3.658 4.979 . 0 0 "[ . 1 . 2]" 1
180 1 9 LEU MD2 1 27 GLN HB3 . . 6.000 3.714 2.230 4.694 . 0 0 "[ . 1 . 2]" 1
181 1 9 LEU MD2 1 27 GLN HG2 . . 7.750 4.157 2.014 5.857 . 0 0 "[ . 1 . 2]" 1
182 1 9 LEU MD2 1 27 GLN HG3 . . 7.750 4.118 2.264 6.313 . 0 0 "[ . 1 . 2]" 1
183 1 9 LEU MD2 1 52 TYR CZ . . 8.000 5.187 3.945 6.133 . 0 0 "[ . 1 . 2]" 1
184 1 9 LEU MD2 1 55 LEU MD1 . . 10.140 3.465 1.895 5.269 . 0 0 "[ . 1 . 2]" 1
185 1 9 LEU MD2 1 55 LEU MD2 . . 10.140 3.518 1.980 5.534 . 0 0 "[ . 1 . 2]" 1
186 1 10 GLY H 1 11 LEU H . . 2.700 2.573 2.135 2.782 0.082 11 0 "[ . 1 . 2]" 1
187 1 11 LEU H 1 11 LEU QB . . 3.500 2.486 2.117 2.667 . 0 0 "[ . 1 . 2]" 1
188 1 11 LEU H 1 11 LEU MD1 . . 5.300 3.227 2.447 4.005 . 0 0 "[ . 1 . 2]" 1
189 1 11 LEU H 1 11 LEU MD2 . . 5.400 3.978 2.288 4.570 . 0 0 "[ . 1 . 2]" 1
190 1 11 LEU H 1 11 LEU HG . . 4.700 3.408 2.702 4.693 . 0 0 "[ . 1 . 2]" 1
191 1 11 LEU HA 1 11 LEU MD2 . . 3.800 2.799 2.245 3.187 . 0 0 "[ . 1 . 2]" 1
192 1 11 LEU HA 1 11 LEU HG . . 3.700 2.860 2.416 3.506 . 0 0 "[ . 1 . 2]" 1
193 1 11 LEU HA 1 12 ALA MB . . 6.000 4.087 3.739 4.355 . 0 0 "[ . 1 . 2]" 1
194 1 11 LEU HA 1 15 ALA MB . . 6.000 3.974 3.134 4.639 . 0 0 "[ . 1 . 2]" 1
195 1 11 LEU MD1 1 20 ILE HA . . 4.600 2.628 2.051 3.668 . 0 0 "[ . 1 . 2]" 1
196 1 11 LEU MD1 1 23 ALA HA . . 6.000 4.737 4.390 4.904 . 0 0 "[ . 1 . 2]" 1
197 1 11 LEU MD2 1 19 GLU HB2 . . 5.800 4.059 3.447 4.813 . 0 0 "[ . 1 . 2]" 1
198 1 11 LEU MD2 1 19 GLU QG . . 6.880 3.287 2.208 4.874 . 0 0 "[ . 1 . 2]" 1
199 1 12 ALA H 1 15 ALA MB . . 5.100 2.968 2.153 4.078 . 0 0 "[ . 1 . 2]" 1
200 1 12 ALA HA 1 13 ARG H . . 2.500 2.359 2.196 2.525 0.025 9 0 "[ . 1 . 2]" 1
201 1 12 ALA HA 1 13 ARG QB . . 5.300 4.555 4.371 4.749 . 0 0 "[ . 1 . 2]" 1
202 1 12 ALA HA 1 13 ARG HD2 . . 5.000 4.185 3.338 5.066 0.066 1 0 "[ . 1 . 2]" 1
203 1 12 ALA HA 1 13 ARG QD . . 4.440 3.661 3.204 4.094 . 0 0 "[ . 1 . 2]" 1
204 1 12 ALA HA 1 13 ARG HD3 . . 5.000 4.440 3.256 5.064 0.064 6 0 "[ . 1 . 2]" 1
205 1 12 ALA MB 1 13 ARG H . . 3.800 2.431 2.188 2.745 . 0 0 "[ . 1 . 2]" 1
206 1 12 ALA MB 1 14 GLY H . . 5.600 4.561 3.236 4.745 . 0 0 "[ . 1 . 2]" 1
207 1 12 ALA MB 1 15 ALA H . . 6.000 4.170 2.778 5.132 . 0 0 "[ . 1 . 2]" 1
208 1 13 ARG H 1 13 ARG QB . . 3.500 2.521 2.098 3.140 . 0 0 "[ . 1 . 2]" 1
209 1 13 ARG H 1 13 ARG HD2 . . 5.000 2.880 1.866 3.882 . 0 0 "[ . 1 . 2]" 1
210 1 13 ARG H 1 13 ARG HD3 . . 5.000 3.036 1.953 4.562 . 0 0 "[ . 1 . 2]" 1
211 1 13 ARG HA 1 14 GLY H . . 2.600 2.243 2.035 2.572 . 0 0 "[ . 1 . 2]" 1
212 1 13 ARG HA 1 15 ALA H . . 4.100 3.728 3.236 4.172 0.072 16 0 "[ . 1 . 2]" 1
213 1 13 ARG QB 1 14 GLY H . . 4.500 3.576 3.135 4.005 . 0 0 "[ . 1 . 2]" 1
214 1 13 ARG QG 1 14 GLY H . . 6.000 4.262 3.648 4.799 . 0 0 "[ . 1 . 2]" 1
215 1 14 GLY H 1 15 ALA H . . 3.200 2.156 1.595 3.264 0.064 11 0 "[ . 1 . 2]" 1
216 1 15 ALA H 1 15 ALA MB . . 3.500 2.276 2.135 2.847 . 0 0 "[ . 1 . 2]" 1
217 1 15 ALA H 1 16 SER H . . 4.600 4.504 3.929 4.663 0.063 19 0 "[ . 1 . 2]" 1
218 1 15 ALA HA 1 16 SER H . . 2.600 2.348 2.078 2.661 0.061 11 0 "[ . 1 . 2]" 1
219 1 15 ALA HA 1 19 GLU HB2 . . 4.000 3.612 2.621 4.079 0.079 11 0 "[ . 1 . 2]" 1
220 1 15 ALA MB 1 20 ILE H . . 6.000 3.802 3.187 4.527 . 0 0 "[ . 1 . 2]" 1
221 1 16 SER H 1 16 SER HB2 . . 4.000 3.691 3.534 3.915 . 0 0 "[ . 1 . 2]" 1
222 1 16 SER H 1 19 GLU H . . 4.400 3.394 2.855 3.998 . 0 0 "[ . 1 . 2]" 1
223 1 16 SER H 1 19 GLU HB2 . . 3.200 2.288 1.776 2.753 . 0 0 "[ . 1 . 2]" 1
224 1 16 SER H 1 19 GLU HB3 . . 3.800 2.869 2.287 3.345 . 0 0 "[ . 1 . 2]" 1
225 1 16 SER H 1 19 GLU HG2 . . 5.000 4.580 3.911 5.062 0.062 20 0 "[ . 1 . 2]" 1
226 1 16 SER H 1 19 GLU QG . . 4.530 3.745 3.105 4.178 . 0 0 "[ . 1 . 2]" 1
227 1 16 SER H 1 19 GLU HG3 . . 5.000 3.997 3.216 4.623 . 0 0 "[ . 1 . 2]" 1
228 1 16 SER HA 1 16 SER HB2 . . 2.800 2.504 2.379 2.588 . 0 0 "[ . 1 . 2]" 1
229 1 16 SER HA 1 16 SER HB3 . . 2.900 2.454 2.334 2.570 . 0 0 "[ . 1 . 2]" 1
230 1 16 SER HA 1 17 ASP HA . . 4.100 4.163 3.987 4.190 0.090 9 0 "[ . 1 . 2]" 1
231 1 16 SER HB2 1 17 ASP H . . 3.600 2.428 1.978 2.843 . 0 0 "[ . 1 . 2]" 1
232 1 16 SER HB2 1 18 GLU H . . 3.900 3.069 2.458 3.933 0.033 13 0 "[ . 1 . 2]" 1
233 1 16 SER HB3 1 17 ASP H . . 4.700 3.743 3.463 3.969 . 0 0 "[ . 1 . 2]" 1
234 1 17 ASP H 1 17 ASP QB . . 3.700 2.310 2.032 2.502 . 0 0 "[ . 1 . 2]" 1
235 1 17 ASP H 1 18 GLU H . . 3.300 2.799 2.509 3.260 . 0 0 "[ . 1 . 2]" 1
236 1 17 ASP H 1 20 ILE MD . . 6.000 4.332 3.452 5.042 . 0 0 "[ . 1 . 2]" 1
237 1 17 ASP HA 1 19 GLU H . . 4.400 3.912 3.557 4.298 . 0 0 "[ . 1 . 2]" 1
238 1 17 ASP HA 1 20 ILE H . . 3.600 3.248 2.620 3.665 0.065 17 0 "[ . 1 . 2]" 1
239 1 17 ASP HA 1 20 ILE HB . . 3.300 2.311 2.059 2.697 . 0 0 "[ . 1 . 2]" 1
240 1 17 ASP HA 1 20 ILE MD . . 4.500 2.773 2.084 3.865 . 0 0 "[ . 1 . 2]" 1
241 1 17 ASP HA 1 21 LYS H . . 4.100 3.893 3.492 4.132 0.032 10 0 "[ . 1 . 2]" 1
242 1 17 ASP QB 1 18 GLU H . . 4.400 3.218 2.553 3.856 . 0 0 "[ . 1 . 2]" 1
243 1 18 GLU H 1 18 GLU HB2 . . 3.100 2.427 2.082 2.707 . 0 0 "[ . 1 . 2]" 1
244 1 18 GLU H 1 18 GLU HB3 . . 3.100 2.634 2.157 3.170 0.070 14 0 "[ . 1 . 2]" 1
245 1 18 GLU H 1 19 GLU H . . 3.400 2.472 2.336 2.656 . 0 0 "[ . 1 . 2]" 1
246 1 18 GLU H 1 19 GLU HB2 . . 4.200 4.269 4.244 4.284 0.084 18 0 "[ . 1 . 2]" 1
247 1 18 GLU HA 1 18 GLU HB2 . . 3.000 2.606 2.377 2.932 . 0 0 "[ . 1 . 2]" 1
248 1 18 GLU HA 1 18 GLU HB3 . . 3.000 3.020 2.882 3.054 0.054 12 0 "[ . 1 . 2]" 1
249 1 18 GLU HA 1 22 ARG QB . . 5.080 4.441 4.196 4.613 . 0 0 "[ . 1 . 2]" 1
250 1 19 GLU H 1 19 GLU HB2 . . 2.800 2.220 2.109 2.456 . 0 0 "[ . 1 . 2]" 1
251 1 19 GLU H 1 19 GLU HB3 . . 3.000 2.976 2.615 3.075 0.075 14 0 "[ . 1 . 2]" 1
252 1 19 GLU H 1 19 GLU HG2 . . 4.600 4.179 3.873 4.539 . 0 0 "[ . 1 . 2]" 1
253 1 19 GLU H 1 19 GLU QG . . 4.220 3.761 3.650 3.905 . 0 0 "[ . 1 . 2]" 1
254 1 19 GLU H 1 19 GLU HG3 . . 4.600 4.338 3.990 4.562 . 0 0 "[ . 1 . 2]" 1
255 1 19 GLU H 1 20 ILE H . . 2.900 2.074 1.971 2.161 . 0 0 "[ . 1 . 2]" 1
256 1 19 GLU H 1 20 ILE HA . . 4.700 4.762 4.675 4.788 0.088 11 0 "[ . 1 . 2]" 1
257 1 19 GLU H 1 20 ILE MD . . 6.000 4.833 4.424 5.054 . 0 0 "[ . 1 . 2]" 1
258 1 19 GLU H 1 22 ARG H . . 5.000 4.463 4.171 4.966 . 0 0 "[ . 1 . 2]" 1
259 1 19 GLU HA 1 19 GLU HB2 . . 2.900 2.824 2.655 2.902 0.002 8 0 "[ . 1 . 2]" 1
260 1 19 GLU HA 1 19 GLU HB3 . . 3.000 2.950 2.896 3.042 0.042 1 0 "[ . 1 . 2]" 1
261 1 19 GLU HB2 1 20 ILE H . . 3.300 3.296 3.139 3.386 0.086 12 0 "[ . 1 . 2]" 1
262 1 20 ILE H 1 20 ILE HB . . 2.700 2.339 2.139 2.719 0.019 3 0 "[ . 1 . 2]" 1
263 1 20 ILE H 1 20 ILE MD . . 4.700 3.551 3.061 3.757 . 0 0 "[ . 1 . 2]" 1
264 1 20 ILE H 1 20 ILE QG . . 4.100 2.396 2.113 2.725 . 0 0 "[ . 1 . 2]" 1
265 1 20 ILE H 1 21 LYS H . . 2.900 2.949 2.837 2.982 0.082 7 0 "[ . 1 . 2]" 1
266 1 20 ILE HA 1 20 ILE MD . . 4.300 3.458 2.262 3.745 . 0 0 "[ . 1 . 2]" 1
267 1 20 ILE HA 1 20 ILE QG . . 4.000 2.345 2.117 3.126 . 0 0 "[ . 1 . 2]" 1
268 1 20 ILE HA 1 22 ARG H . . 5.000 4.403 4.013 4.703 . 0 0 "[ . 1 . 2]" 1
269 1 20 ILE HA 1 23 ALA H . . 4.900 3.727 3.300 4.180 . 0 0 "[ . 1 . 2]" 1
270 1 20 ILE MD 1 55 LEU HA . . 4.200 3.175 2.755 3.372 . 0 0 "[ . 1 . 2]" 1
271 1 20 ILE MD 1 55 LEU MD1 . . 7.000 3.216 1.904 4.092 . 0 0 "[ . 1 . 2]" 1
272 1 20 ILE MD 1 55 LEU QD . . 6.280 2.185 1.894 2.818 . 0 0 "[ . 1 . 2]" 1
273 1 20 ILE MD 1 55 LEU MD2 . . 7.000 2.632 1.962 4.473 . 0 0 "[ . 1 . 2]" 1
274 1 20 ILE MD 1 61 ARG HD2 . . 6.000 3.502 2.260 4.527 . 0 0 "[ . 1 . 2]" 1
275 1 20 ILE MD 1 61 ARG QD . . 5.840 3.108 1.987 3.736 . 0 0 "[ . 1 . 2]" 1
276 1 20 ILE MD 1 61 ARG HD3 . . 6.000 3.573 2.203 4.717 . 0 0 "[ . 1 . 2]" 1
277 1 20 ILE MD 1 61 ARG HE . . 6.000 3.833 2.826 5.012 . 0 0 "[ . 1 . 2]" 1
278 1 20 ILE MD 1 61 ARG QH2 . . 7.000 3.500 2.557 5.371 . 0 0 "[ . 1 . 2]" 1
279 1 20 ILE MG 1 21 LYS H . . 6.000 2.774 2.521 3.135 . 0 0 "[ . 1 . 2]" 1
280 1 20 ILE MG 1 21 LYS HA . . 5.500 3.158 2.897 3.439 . 0 0 "[ . 1 . 2]" 1
281 1 20 ILE MG 1 24 TYR CZ . . 7.100 4.952 3.948 5.894 . 0 0 "[ . 1 . 2]" 1
282 1 20 ILE MG 1 56 SER H . . 6.000 4.272 3.627 4.771 . 0 0 "[ . 1 . 2]" 1
283 1 20 ILE MG 1 56 SER HA . . 5.000 3.376 2.649 4.180 . 0 0 "[ . 1 . 2]" 1
284 1 20 ILE MG 1 56 SER HB2 . . 6.000 4.897 4.331 5.115 . 0 0 "[ . 1 . 2]" 1
285 1 20 ILE MG 1 56 SER HB3 . . 6.000 4.029 3.327 4.410 . 0 0 "[ . 1 . 2]" 1
286 1 21 LYS H 1 21 LYS QB . . 3.500 2.299 2.111 2.480 . 0 0 "[ . 1 . 2]" 1
287 1 21 LYS H 1 21 LYS QG . . 4.380 3.061 2.239 3.983 . 0 0 "[ . 1 . 2]" 1
288 1 21 LYS H 1 22 ARG H . . 2.900 2.837 2.673 2.968 0.068 15 0 "[ . 1 . 2]" 1
289 1 21 LYS H 1 24 TYR CZ . . 7.000 7.007 6.173 7.086 0.086 14 0 "[ . 1 . 2]" 1
290 1 21 LYS HA 1 21 LYS HG2 . . 3.700 2.796 2.281 3.562 . 0 0 "[ . 1 . 2]" 1
291 1 21 LYS HA 1 21 LYS HG3 . . 3.700 2.675 2.299 3.752 0.052 11 0 "[ . 1 . 2]" 1
292 1 21 LYS HA 1 24 TYR CZ . . 5.300 4.724 4.237 5.205 . 0 0 "[ . 1 . 2]" 1
293 1 21 LYS HA 1 24 TYR H . . 4.100 3.411 2.920 4.103 0.003 8 0 "[ . 1 . 2]" 1
294 1 21 LYS HA 1 24 TYR HB3 . . 4.400 2.923 2.049 3.554 . 0 0 "[ . 1 . 2]" 1
295 1 21 LYS QB 1 24 TYR CZ . . 8.000 5.776 4.859 6.766 . 0 0 "[ . 1 . 2]" 1
296 1 21 LYS QG 1 24 TYR CZ . . 6.750 4.486 3.356 5.882 . 0 0 "[ . 1 . 2]" 1
297 1 21 LYS HG2 1 24 TYR CZ . . 7.000 5.308 3.592 7.062 0.062 5 0 "[ . 1 . 2]" 1
298 1 21 LYS HG3 1 24 TYR CZ . . 7.000 5.226 3.610 6.890 . 0 0 "[ . 1 . 2]" 1
299 1 22 ARG H 1 22 ARG HB2 . . 3.200 2.336 1.932 2.693 . 0 0 "[ . 1 . 2]" 1
300 1 22 ARG H 1 22 ARG HB3 . . 3.200 2.676 2.268 3.127 . 0 0 "[ . 1 . 2]" 1
301 1 22 ARG H 1 23 ALA H . . 2.900 2.712 2.413 2.967 0.067 7 0 "[ . 1 . 2]" 1
302 1 22 ARG H 1 23 ALA MB . . 6.000 4.302 3.981 4.614 . 0 0 "[ . 1 . 2]" 1
303 1 22 ARG HB2 1 23 ALA H . . 3.500 3.465 3.040 3.583 0.083 3 0 "[ . 1 . 2]" 1
304 1 22 ARG HB3 1 23 ALA H . . 3.500 2.305 2.102 2.657 . 0 0 "[ . 1 . 2]" 1
305 1 23 ALA H 1 23 ALA MB . . 3.400 2.219 2.147 2.272 . 0 0 "[ . 1 . 2]" 1
306 1 23 ALA HA 1 26 ARG H . . 3.800 3.632 3.246 3.860 0.060 10 0 "[ . 1 . 2]" 1
307 1 23 ALA HA 1 27 GLN HB2 . . 4.700 4.597 4.292 4.795 0.095 20 0 "[ . 1 . 2]" 1
308 1 24 TYR CG 1 25 ARG H . . 7.000 3.729 3.094 4.171 . 0 0 "[ . 1 . 2]" 1
309 1 24 TYR CG 1 25 ARG HA . . 7.000 4.832 4.232 5.647 . 0 0 "[ . 1 . 2]" 1
310 1 24 TYR CG 1 25 ARG QB . . 8.000 4.975 4.115 6.043 . 0 0 "[ . 1 . 2]" 1
311 1 24 TYR CG 1 25 ARG QG . . 8.000 5.465 4.041 6.948 . 0 0 "[ . 1 . 2]" 1
312 1 24 TYR CG 1 28 ALA H . . 7.000 5.807 5.435 6.653 . 0 0 "[ . 1 . 2]" 1
313 1 24 TYR CG 1 28 ALA MB . . 8.000 5.224 4.717 6.269 . 0 0 "[ . 1 . 2]" 1
314 1 24 TYR CZ 1 24 TYR H . . 6.000 6.090 6.075 6.099 0.099 7 0 "[ . 1 . 2]" 1
315 1 24 TYR CZ 1 56 SER HA . . 7.000 5.375 4.567 6.192 . 0 0 "[ . 1 . 2]" 1
316 1 24 TYR CZ 1 56 SER HB2 . . 7.000 4.335 3.312 5.366 . 0 0 "[ . 1 . 2]" 1
317 1 24 TYR CZ 1 56 SER HB3 . . 6.000 3.521 2.671 4.892 . 0 0 "[ . 1 . 2]" 1
318 1 24 TYR H 1 24 TYR HB2 . . 3.000 2.445 1.752 3.007 0.007 11 0 "[ . 1 . 2]" 1
319 1 24 TYR H 1 24 TYR HB3 . . 3.000 2.344 1.772 3.058 0.058 4 0 "[ . 1 . 2]" 1
320 1 24 TYR H 1 25 ARG H . . 3.500 3.031 2.597 3.329 . 0 0 "[ . 1 . 2]" 1
321 1 24 TYR HA 1 27 GLN H . . 3.900 3.593 3.088 3.977 0.077 9 0 "[ . 1 . 2]" 1
322 1 24 TYR HA 1 27 GLN HB3 . . 3.700 3.777 3.759 3.796 0.096 2 0 "[ . 1 . 2]" 1
323 1 24 TYR HB2 1 25 ARG H . . 4.300 3.752 2.960 4.356 0.056 16 0 "[ . 1 . 2]" 1
324 1 24 TYR HB2 1 52 TYR CZ . . 7.000 4.932 3.831 5.992 . 0 0 "[ . 1 . 2]" 1
325 1 24 TYR HB3 1 25 ARG H . . 3.400 2.777 1.984 3.465 0.065 17 0 "[ . 1 . 2]" 1
326 1 24 TYR HB3 1 52 TYR CZ . . 7.000 5.113 4.522 5.734 . 0 0 "[ . 1 . 2]" 1
327 1 25 ARG H 1 25 ARG QB . . 3.500 2.339 2.083 2.665 . 0 0 "[ . 1 . 2]" 1
328 1 25 ARG H 1 26 ARG H . . 2.800 2.714 2.517 2.857 0.057 8 0 "[ . 1 . 2]" 1
329 1 25 ARG HA 1 28 ALA H . . 4.200 3.658 3.045 4.190 . 0 0 "[ . 1 . 2]" 1
330 1 25 ARG HA 1 28 ALA MB . . 4.800 2.947 2.212 3.770 . 0 0 "[ . 1 . 2]" 1
331 1 25 ARG HA 1 29 LEU QD . . 7.400 4.873 3.025 5.537 . 0 0 "[ . 1 . 2]" 1
332 1 25 ARG HA 1 52 TYR CZ . . 7.000 4.895 3.948 5.919 . 0 0 "[ . 1 . 2]" 1
333 1 25 ARG QB 1 52 TYR CZ . . 8.000 6.141 5.148 6.774 . 0 0 "[ . 1 . 2]" 1
334 1 25 ARG QG 1 52 TYR CZ . . 8.000 6.264 4.423 7.231 . 0 0 "[ . 1 . 2]" 1
335 1 26 ARG H 1 26 ARG QB . . 3.500 2.412 2.069 3.031 . 0 0 "[ . 1 . 2]" 1
336 1 26 ARG H 1 26 ARG QG . . 5.100 3.064 2.143 4.239 . 0 0 "[ . 1 . 2]" 1
337 1 26 ARG H 1 27 GLN H . . 3.100 2.630 1.910 2.938 . 0 0 "[ . 1 . 2]" 1
338 1 26 ARG HA 1 29 LEU H . . 4.200 3.785 3.213 4.255 0.055 13 0 "[ . 1 . 2]" 1
339 1 26 ARG HA 1 29 LEU QB . . 4.580 2.755 2.084 3.545 . 0 0 "[ . 1 . 2]" 1
340 1 26 ARG HA 1 29 LEU QD . . 7.200 3.578 2.849 4.928 . 0 0 "[ . 1 . 2]" 1
341 1 26 ARG QB 1 27 GLN H . . 4.300 3.119 2.327 3.962 . 0 0 "[ . 1 . 2]" 1
342 1 27 GLN H 1 27 GLN HB2 . . 2.700 2.119 1.970 2.336 . 0 0 "[ . 1 . 2]" 1
343 1 27 GLN H 1 27 GLN HB3 . . 3.700 3.161 2.530 3.505 . 0 0 "[ . 1 . 2]" 1
344 1 27 GLN H 1 27 GLN HG2 . . 5.000 3.662 2.544 4.642 . 0 0 "[ . 1 . 2]" 1
345 1 27 GLN H 1 27 GLN QG . . 4.140 3.309 2.474 3.851 . 0 0 "[ . 1 . 2]" 1
346 1 27 GLN H 1 27 GLN HG3 . . 5.000 3.957 3.380 4.304 . 0 0 "[ . 1 . 2]" 1
347 1 27 GLN H 1 28 ALA H . . 3.100 2.693 2.281 3.002 . 0 0 "[ . 1 . 2]" 1
348 1 27 GLN H 1 28 ALA MB . . 6.000 4.354 4.008 4.704 . 0 0 "[ . 1 . 2]" 1
349 1 27 GLN H 1 29 LEU H . . 5.000 4.203 3.693 4.588 . 0 0 "[ . 1 . 2]" 1
350 1 27 GLN HA 1 27 GLN HB2 . . 3.000 2.900 2.601 3.046 0.046 10 0 "[ . 1 . 2]" 1
351 1 27 GLN HA 1 27 GLN HB3 . . 3.000 2.850 2.603 3.050 0.050 6 0 "[ . 1 . 2]" 1
352 1 27 GLN HA 1 27 GLN HG2 . . 3.700 3.034 2.369 3.675 . 0 0 "[ . 1 . 2]" 1
353 1 27 GLN HA 1 27 GLN HG3 . . 3.700 2.964 2.065 3.752 0.052 2 0 "[ . 1 . 2]" 1
354 1 27 GLN HA 1 28 ALA H . . 3.600 3.618 3.575 3.652 0.052 2 0 "[ . 1 . 2]" 1
355 1 27 GLN HA 1 30 ARG H . . 3.800 3.281 3.029 3.742 . 0 0 "[ . 1 . 2]" 1
356 1 27 GLN HA 1 30 ARG HB2 . . 3.100 2.909 2.254 3.177 0.077 5 0 "[ . 1 . 2]" 1
357 1 27 GLN HA 1 30 ARG HB3 . . 3.100 2.681 2.190 3.178 0.078 18 0 "[ . 1 . 2]" 1
358 1 27 GLN HA 1 31 TYR CG . . 7.000 5.638 5.118 6.111 . 0 0 "[ . 1 . 2]" 1
359 1 27 GLN HA 1 31 TYR CZ . . 7.000 5.818 5.072 6.780 . 0 0 "[ . 1 . 2]" 1
360 1 27 GLN HA 1 48 ILE MD . . 6.000 3.759 3.292 4.409 . 0 0 "[ . 1 . 2]" 1
361 1 27 GLN HB2 1 48 ILE MG . . 4.500 3.665 3.409 3.811 . 0 0 "[ . 1 . 2]" 1
362 1 27 GLN HB3 1 28 ALA H . . 4.100 3.022 2.336 3.540 . 0 0 "[ . 1 . 2]" 1
363 1 27 GLN HB3 1 31 TYR CG . . 7.000 6.453 5.535 7.055 0.055 2 0 "[ . 1 . 2]" 1
364 1 27 GLN HB3 1 31 TYR CZ . . 7.000 6.835 6.041 7.081 0.081 9 0 "[ . 1 . 2]" 1
365 1 27 GLN HB3 1 48 ILE MD . . 4.700 2.635 2.038 3.638 . 0 0 "[ . 1 . 2]" 1
366 1 27 GLN HB3 1 48 ILE QG . . 5.880 3.906 3.203 4.834 . 0 0 "[ . 1 . 2]" 1
367 1 27 GLN HE21 1 48 ILE MD . . 5.900 3.665 1.891 4.832 . 0 0 "[ . 1 . 2]" 1
368 1 27 GLN QG 1 48 ILE QG . . 6.750 3.787 2.160 5.459 . 0 0 "[ . 1 . 2]" 1
369 1 27 GLN HG2 1 48 ILE MD . . 6.000 3.569 2.062 4.837 . 0 0 "[ . 1 . 2]" 1
370 1 27 GLN HG3 1 48 ILE MD . . 6.000 3.306 2.084 4.548 . 0 0 "[ . 1 . 2]" 1
371 1 28 ALA H 1 29 LEU H . . 3.000 2.807 2.667 2.924 . 0 0 "[ . 1 . 2]" 1
372 1 28 ALA H 1 30 ARG H . . 4.700 4.081 3.853 4.318 . 0 0 "[ . 1 . 2]" 1
373 1 28 ALA H 1 48 ILE MD . . 6.000 4.378 3.167 4.843 . 0 0 "[ . 1 . 2]" 1
374 1 28 ALA H 1 48 ILE MG . . 6.000 3.751 3.137 4.077 . 0 0 "[ . 1 . 2]" 1
375 1 28 ALA HA 1 31 TYR H . . 4.100 3.823 3.582 4.145 0.045 5 0 "[ . 1 . 2]" 1
376 1 28 ALA HA 1 32 HIS H . . 5.000 4.271 3.791 4.643 . 0 0 "[ . 1 . 2]" 1
377 1 28 ALA HA 1 45 PHE CZ . . 6.800 4.539 3.765 5.216 . 0 0 "[ . 1 . 2]" 1
378 1 28 ALA HA 1 48 ILE HB . . 5.000 4.799 4.024 5.082 0.082 10 0 "[ . 1 . 2]" 1
379 1 28 ALA HA 1 48 ILE MG . . 4.400 3.240 2.798 3.524 . 0 0 "[ . 1 . 2]" 1
380 1 28 ALA MB 1 29 LEU H . . 4.400 2.391 2.195 2.659 . 0 0 "[ . 1 . 2]" 1
381 1 28 ALA MB 1 29 LEU HA . . 6.000 3.839 3.611 4.078 . 0 0 "[ . 1 . 2]" 1
382 1 28 ALA MB 1 30 ARG H . . 6.000 4.380 4.156 4.809 . 0 0 "[ . 1 . 2]" 1
383 1 28 ALA MB 1 32 HIS HD2 . . 6.000 3.658 2.381 4.881 . 0 0 "[ . 1 . 2]" 1
384 1 28 ALA MB 1 45 PHE CG . . 8.000 5.507 4.507 6.380 . 0 0 "[ . 1 . 2]" 1
385 1 28 ALA MB 1 45 PHE CZ . . 7.500 4.097 2.796 4.862 . 0 0 "[ . 1 . 2]" 1
386 1 28 ALA MB 1 52 TYR CZ . . 7.900 3.062 2.552 5.203 . 0 0 "[ . 1 . 2]" 1
387 1 29 LEU H 1 29 LEU HB2 . . 3.100 2.245 1.934 2.573 . 0 0 "[ . 1 . 2]" 1
388 1 29 LEU H 1 29 LEU HB3 . . 3.100 2.732 2.399 3.182 0.082 1 0 "[ . 1 . 2]" 1
389 1 29 LEU HA 1 29 LEU HB2 . . 3.000 2.615 2.442 2.962 . 0 0 "[ . 1 . 2]" 1
390 1 29 LEU HA 1 29 LEU HB3 . . 3.000 3.004 2.841 3.051 0.051 9 0 "[ . 1 . 2]" 1
391 1 29 LEU HA 1 32 HIS H . . 4.100 3.517 3.302 3.802 . 0 0 "[ . 1 . 2]" 1
392 1 29 LEU HA 1 32 HIS HB2 . . 3.500 2.669 2.124 3.569 0.069 7 0 "[ . 1 . 2]" 1
393 1 29 LEU HA 1 32 HIS HB3 . . 4.200 3.653 2.495 4.273 0.073 16 0 "[ . 1 . 2]" 1
394 1 29 LEU HA 1 32 HIS HD2 . . 5.000 3.070 2.044 5.027 0.027 8 0 "[ . 1 . 2]" 1
395 1 29 LEU QB 1 30 ARG H . . 4.680 2.997 2.392 3.643 . 0 0 "[ . 1 . 2]" 1
396 1 29 LEU QD 1 32 HIS HD2 . . 7.400 3.366 2.243 4.805 . 0 0 "[ . 1 . 2]" 1
397 1 30 ARG H 1 30 ARG HB2 . . 3.100 2.440 2.041 3.128 0.028 16 0 "[ . 1 . 2]" 1
398 1 30 ARG H 1 30 ARG HB3 . . 3.100 2.511 2.222 2.883 . 0 0 "[ . 1 . 2]" 1
399 1 30 ARG H 1 30 ARG HG2 . . 5.000 4.506 4.387 4.770 . 0 0 "[ . 1 . 2]" 1
400 1 30 ARG H 1 30 ARG HG3 . . 4.200 4.253 4.022 4.284 0.084 1 0 "[ . 1 . 2]" 1
401 1 30 ARG H 1 31 TYR H . . 2.900 2.682 2.302 2.965 0.065 20 0 "[ . 1 . 2]" 1
402 1 30 ARG HA 1 30 ARG HB2 . . 3.000 2.524 2.384 2.685 . 0 0 "[ . 1 . 2]" 1
403 1 30 ARG HA 1 30 ARG HB3 . . 3.000 3.042 3.010 3.059 0.059 4 0 "[ . 1 . 2]" 1
404 1 30 ARG HA 1 30 ARG HG2 . . 4.100 3.368 2.440 3.966 . 0 0 "[ . 1 . 2]" 1
405 1 30 ARG HA 1 30 ARG HG3 . . 3.400 2.760 2.203 3.452 0.052 17 0 "[ . 1 . 2]" 1
406 1 30 ARG HA 1 31 TYR H . . 3.600 3.564 3.479 3.631 0.031 3 0 "[ . 1 . 2]" 1
407 1 30 ARG HB2 1 31 TYR CZ . . 7.000 5.657 4.893 7.034 0.034 9 0 "[ . 1 . 2]" 1
408 1 30 ARG HB2 1 31 TYR H . . 4.100 3.933 3.572 4.174 0.074 8 0 "[ . 1 . 2]" 1
409 1 30 ARG HB3 1 31 TYR CZ . . 7.000 4.346 3.388 5.417 . 0 0 "[ . 1 . 2]" 1
410 1 30 ARG HB3 1 31 TYR H . . 4.100 2.789 2.065 3.386 . 0 0 "[ . 1 . 2]" 1
411 1 30 ARG QD 1 31 TYR CZ . . 8.000 4.189 2.372 5.372 . 0 0 "[ . 1 . 2]" 1
412 1 30 ARG HG2 1 31 TYR CZ . . 7.000 3.706 2.741 5.791 . 0 0 "[ . 1 . 2]" 1
413 1 31 TYR CG 1 36 ASN HD21 . . 7.000 4.724 3.663 6.001 . 0 0 "[ . 1 . 2]" 1
414 1 31 TYR CG 1 41 ALA HA . . 6.100 5.334 3.955 6.176 0.076 10 0 "[ . 1 . 2]" 1
415 1 31 TYR CG 1 41 ALA MB . . 7.000 3.664 2.903 4.030 . 0 0 "[ . 1 . 2]" 1
416 1 31 TYR CG 1 44 LYS HB3 . . 7.000 3.807 2.755 4.959 . 0 0 "[ . 1 . 2]" 1
417 1 31 TYR CG 1 44 LYS QD . . 8.000 5.187 2.816 7.191 . 0 0 "[ . 1 . 2]" 1
418 1 31 TYR CG 1 48 ILE MD . . 6.900 3.382 2.605 4.650 . 0 0 "[ . 1 . 2]" 1
419 1 31 TYR CZ 1 31 TYR HA . . 5.600 5.123 4.827 5.651 0.051 3 0 "[ . 1 . 2]" 1
420 1 31 TYR CZ 1 41 ALA HA . . 7.000 6.189 4.253 7.087 0.087 9 0 "[ . 1 . 2]" 1
421 1 31 TYR CZ 1 41 ALA MB . . 8.000 4.903 3.480 5.851 . 0 0 "[ . 1 . 2]" 1
422 1 31 TYR CZ 1 44 LYS HB3 . . 7.000 4.387 3.696 5.709 . 0 0 "[ . 1 . 2]" 1
423 1 31 TYR CZ 1 44 LYS QD . . 8.000 4.443 2.585 6.217 . 0 0 "[ . 1 . 2]" 1
424 1 31 TYR CZ 1 44 LYS QE . . 8.000 5.001 2.695 6.658 . 0 0 "[ . 1 . 2]" 1
425 1 31 TYR CZ 1 44 LYS HG2 . . 7.000 4.585 2.617 6.953 . 0 0 "[ . 1 . 2]" 1
426 1 31 TYR CZ 1 44 LYS HG3 . . 7.000 4.995 3.725 7.063 0.063 18 0 "[ . 1 . 2]" 1
427 1 31 TYR CZ 1 48 ILE MD . . 8.000 3.836 2.980 5.091 . 0 0 "[ . 1 . 2]" 1
428 1 31 TYR H 1 31 TYR HB2 . . 3.100 2.564 2.187 2.940 . 0 0 "[ . 1 . 2]" 1
429 1 31 TYR H 1 31 TYR HB3 . . 3.800 3.701 3.457 3.866 0.066 3 0 "[ . 1 . 2]" 1
430 1 31 TYR H 1 36 ASN HD21 . . 4.800 4.742 3.903 4.891 0.091 18 0 "[ . 1 . 2]" 1
431 1 31 TYR HA 1 31 TYR HB3 . . 2.900 2.485 2.330 2.674 . 0 0 "[ . 1 . 2]" 1
432 1 31 TYR HA 1 36 ASN HB2 . . 4.200 3.592 2.446 4.272 0.072 7 0 "[ . 1 . 2]" 1
433 1 31 TYR HA 1 36 ASN QB . . 3.960 3.013 2.394 3.675 . 0 0 "[ . 1 . 2]" 1
434 1 31 TYR HA 1 36 ASN HB3 . . 4.200 3.534 2.552 4.285 0.085 1 0 "[ . 1 . 2]" 1
435 1 31 TYR HA 1 36 ASN HD21 . . 5.000 2.610 2.006 3.982 . 0 0 "[ . 1 . 2]" 1
436 1 31 TYR HA 1 41 ALA MB . . 5.400 3.289 2.169 4.391 . 0 0 "[ . 1 . 2]" 1
437 1 31 TYR HB2 1 32 HIS H . . 4.000 3.580 2.830 4.026 0.026 15 0 "[ . 1 . 2]" 1
438 1 31 TYR HB2 1 48 ILE MD . . 6.000 3.066 2.092 4.825 . 0 0 "[ . 1 . 2]" 1
439 1 31 TYR HB3 1 41 ALA MB . . 6.000 2.789 2.135 4.124 . 0 0 "[ . 1 . 2]" 1
440 1 31 TYR HB3 1 45 PHE H . . 5.000 3.913 2.850 4.934 . 0 0 "[ . 1 . 2]" 1
441 1 32 HIS H 1 32 HIS HB2 . . 2.900 2.117 1.939 2.461 . 0 0 "[ . 1 . 2]" 1
442 1 32 HIS H 1 32 HIS HB3 . . 3.100 2.964 2.274 3.179 0.079 17 0 "[ . 1 . 2]" 1
443 1 32 HIS HA 1 32 HIS HB2 . . 3.000 2.697 2.373 2.857 . 0 0 "[ . 1 . 2]" 1
444 1 32 HIS HA 1 32 HIS HB3 . . 3.000 2.988 2.908 3.039 0.039 3 0 "[ . 1 . 2]" 1
445 1 32 HIS HA 1 32 HIS HD2 . . 5.000 4.276 3.191 4.859 . 0 0 "[ . 1 . 2]" 1
446 1 32 HIS HA 1 33 PRO QG . . 4.380 4.007 3.927 4.048 . 0 0 "[ . 1 . 2]" 1
447 1 32 HIS HA 1 45 PHE CG . . 7.000 4.039 3.144 4.877 . 0 0 "[ . 1 . 2]" 1
448 1 32 HIS HA 1 45 PHE CZ . . 7.000 3.839 2.876 5.051 . 0 0 "[ . 1 . 2]" 1
449 1 32 HIS HB2 1 32 HIS HD2 . . 3.900 2.784 2.457 3.739 . 0 0 "[ . 1 . 2]" 1
450 1 32 HIS HB2 1 45 PHE CZ . . 7.000 5.496 4.129 7.044 0.044 6 0 "[ . 1 . 2]" 1
451 1 32 HIS HB3 1 35 LYS H . . 4.000 2.672 1.810 4.029 0.029 3 0 "[ . 1 . 2]" 1
452 1 32 HIS HD2 1 35 LYS HB2 . . 5.000 4.589 2.784 5.084 0.084 16 0 "[ . 1 . 2]" 1
453 1 32 HIS HD2 1 45 PHE CZ . . 6.800 5.854 4.297 6.859 0.059 11 0 "[ . 1 . 2]" 1
454 1 32 HIS HE1 1 33 PRO QG . . 5.880 4.804 3.660 5.308 . 0 0 "[ . 1 . 2]" 1
455 1 32 HIS HE1 1 34 ASP QB . . 5.400 3.983 2.544 4.881 . 0 0 "[ . 1 . 2]" 1
456 1 33 PRO QD 1 34 ASP HA . . 6.000 5.325 5.181 5.402 . 0 0 "[ . 1 . 2]" 1
457 1 33 PRO HG2 1 34 ASP H . . 5.000 3.073 2.257 4.417 . 0 0 "[ . 1 . 2]" 1
458 1 33 PRO HG2 1 45 PHE CZ . . 7.000 5.648 4.291 7.067 0.067 15 0 "[ . 1 . 2]" 1
459 1 33 PRO HG3 1 34 ASP H . . 5.000 4.411 3.814 5.053 0.053 1 0 "[ . 1 . 2]" 1
460 1 33 PRO HG3 1 45 PHE CZ . . 7.000 5.272 3.487 7.059 0.059 9 0 "[ . 1 . 2]" 1
461 1 34 ASP H 1 35 LYS H . . 3.400 2.490 1.916 2.854 . 0 0 "[ . 1 . 2]" 1
462 1 34 ASP HA 1 35 LYS H . . 3.500 3.453 3.227 3.573 0.073 13 0 "[ . 1 . 2]" 1
463 1 35 LYS H 1 35 LYS HB2 . . 3.400 3.098 2.616 3.475 0.075 11 0 "[ . 1 . 2]" 1
464 1 35 LYS H 1 35 LYS HB3 . . 2.900 2.474 2.236 2.821 . 0 0 "[ . 1 . 2]" 1
465 1 35 LYS H 1 35 LYS QD . . 6.000 4.602 3.854 5.395 . 0 0 "[ . 1 . 2]" 1
466 1 35 LYS H 1 36 ASN H . . 2.900 2.241 1.781 2.851 . 0 0 "[ . 1 . 2]" 1
467 1 35 LYS HA 1 35 LYS HB2 . . 3.000 2.411 2.308 2.531 . 0 0 "[ . 1 . 2]" 1
468 1 35 LYS HA 1 35 LYS HB3 . . 3.000 3.031 3.007 3.040 0.040 15 0 "[ . 1 . 2]" 1
469 1 35 LYS HA 1 36 ASN H . . 3.600 3.595 3.509 3.655 0.055 1 0 "[ . 1 . 2]" 1
470 1 35 LYS HB3 1 36 ASN H . . 3.500 2.792 2.175 3.302 . 0 0 "[ . 1 . 2]" 1
471 1 35 LYS QG 1 36 ASN HA . . 6.000 3.760 2.848 4.791 . 0 0 "[ . 1 . 2]" 1
472 1 36 ASN H 1 36 ASN HB2 . . 3.500 2.787 2.224 3.583 0.083 18 0 "[ . 1 . 2]" 1
473 1 36 ASN H 1 36 ASN HB3 . . 3.500 3.009 2.486 3.587 0.087 1 0 "[ . 1 . 2]" 1
474 1 36 ASN H 1 37 LYS H . . 3.700 2.657 2.114 3.773 0.073 3 0 "[ . 1 . 2]" 1
475 1 36 ASN H 1 37 LYS HA . . 4.300 4.356 4.088 4.381 0.081 16 0 "[ . 1 . 2]" 1
476 1 36 ASN QB 1 38 GLU HA . . 5.280 4.508 3.727 4.809 . 0 0 "[ . 1 . 2]" 1
477 1 36 ASN HD21 1 41 ALA MB . . 6.000 3.967 1.714 5.135 . 0 0 "[ . 1 . 2]" 1
478 1 36 ASN HD22 1 41 ALA MB . . 6.000 4.469 3.084 5.108 . 0 0 "[ . 1 . 2]" 1
479 1 37 LYS H 1 37 LYS HB2 . . 3.300 3.119 2.269 3.412 0.112 19 0 "[ . 1 . 2]" 1
480 1 37 LYS H 1 37 LYS HG2 . . 5.000 3.622 2.892 4.672 . 0 0 "[ . 1 . 2]" 1
481 1 37 LYS H 1 37 LYS QG . . 4.680 2.984 2.498 3.814 . 0 0 "[ . 1 . 2]" 1
482 1 37 LYS H 1 37 LYS HG3 . . 5.000 3.429 2.572 4.647 . 0 0 "[ . 1 . 2]" 1
483 1 37 LYS HA 1 37 LYS HB2 . . 2.900 2.965 2.903 2.989 0.089 3 0 "[ . 1 . 2]" 1
484 1 37 LYS HA 1 37 LYS HB3 . . 2.900 2.613 2.433 2.866 . 0 0 "[ . 1 . 2]" 1
485 1 37 LYS HA 1 37 LYS HG2 . . 4.200 2.498 2.135 3.741 . 0 0 "[ . 1 . 2]" 1
486 1 37 LYS HA 1 37 LYS HG3 . . 4.200 3.092 2.626 3.735 . 0 0 "[ . 1 . 2]" 1
487 1 37 LYS HA 1 38 GLU H . . 3.500 2.877 2.262 3.474 . 0 0 "[ . 1 . 2]" 1
488 1 38 GLU H 1 38 GLU HB2 . . 3.200 2.312 2.033 2.511 . 0 0 "[ . 1 . 2]" 1
489 1 38 GLU H 1 38 GLU HB3 . . 3.100 2.584 2.081 3.179 0.079 18 0 "[ . 1 . 2]" 1
490 1 38 GLU H 1 38 GLU HG2 . . 4.300 4.325 4.130 4.389 0.089 18 0 "[ . 1 . 2]" 1
491 1 38 GLU H 1 38 GLU HG3 . . 4.300 4.239 3.734 4.384 0.084 14 0 "[ . 1 . 2]" 1
492 1 38 GLU H 1 41 ALA MB . . 5.700 3.580 2.637 4.667 . 0 0 "[ . 1 . 2]" 1
493 1 38 GLU HA 1 38 GLU HB2 . . 2.700 2.499 2.332 2.782 0.082 17 0 "[ . 1 . 2]" 1
494 1 38 GLU HA 1 39 PRO HD2 . . 3.300 2.418 2.143 3.277 . 0 0 "[ . 1 . 2]" 1
495 1 38 GLU HA 1 39 PRO HD3 . . 2.900 2.554 2.286 2.974 0.074 9 0 "[ . 1 . 2]" 1
496 1 38 GLU HA 1 41 ALA MB . . 5.400 4.101 2.132 4.459 . 0 0 "[ . 1 . 2]" 1
497 1 39 PRO HA 1 40 GLY H . . 2.900 2.453 2.066 3.007 0.107 16 0 "[ . 1 . 2]" 1
498 1 39 PRO HB3 1 40 GLY H . . 4.000 3.926 3.353 4.096 0.096 5 0 "[ . 1 . 2]" 1
499 1 40 GLY H 1 41 ALA H . . 3.400 2.705 2.177 3.141 . 0 0 "[ . 1 . 2]" 1
500 1 40 GLY H 1 42 GLU H . . 4.500 3.742 3.200 4.545 0.045 9 0 "[ . 1 . 2]" 1
501 1 41 ALA H 1 41 ALA HA . . 2.900 2.865 2.355 2.971 0.071 20 0 "[ . 1 . 2]" 1
502 1 41 ALA H 1 41 ALA MB . . 3.600 2.320 2.158 2.938 . 0 0 "[ . 1 . 2]" 1
503 1 41 ALA H 1 42 GLU H . . 3.300 2.581 2.009 3.082 . 0 0 "[ . 1 . 2]" 1
504 1 41 ALA HA 1 44 LYS HB3 . . 3.200 3.109 2.715 3.285 0.085 4 0 "[ . 1 . 2]" 1
505 1 41 ALA HA 1 44 LYS QD . . 6.000 4.042 2.846 5.437 . 0 0 "[ . 1 . 2]" 1
506 1 41 ALA HA 1 44 LYS HG2 . . 5.000 4.461 3.604 5.074 0.074 10 0 "[ . 1 . 2]" 1
507 1 41 ALA HA 1 44 LYS HG3 . . 5.000 4.684 3.802 5.077 0.077 7 0 "[ . 1 . 2]" 1
508 1 41 ALA MB 1 43 GLU H . . 6.000 4.733 4.421 5.087 . 0 0 "[ . 1 . 2]" 1
509 1 42 GLU H 1 42 GLU HB2 . . 3.000 2.458 2.122 3.056 0.056 8 0 "[ . 1 . 2]" 1
510 1 42 GLU H 1 42 GLU HB3 . . 2.700 2.481 2.022 2.775 0.075 10 0 "[ . 1 . 2]" 1
511 1 42 GLU H 1 42 GLU HG2 . . 5.000 4.457 4.097 4.634 . 0 0 "[ . 1 . 2]" 1
512 1 42 GLU H 1 42 GLU HG3 . . 5.000 4.462 4.264 4.607 . 0 0 "[ . 1 . 2]" 1
513 1 42 GLU H 1 43 GLU H . . 3.000 2.738 2.460 3.056 0.056 18 0 "[ . 1 . 2]" 1
514 1 42 GLU H 1 44 LYS H . . 4.500 4.100 3.741 4.455 . 0 0 "[ . 1 . 2]" 1
515 1 42 GLU HA 1 42 GLU HB2 . . 2.800 2.473 2.225 2.693 . 0 0 "[ . 1 . 2]" 1
516 1 42 GLU HA 1 43 GLU H . . 3.500 3.561 3.515 3.574 0.074 11 0 "[ . 1 . 2]" 1
517 1 42 GLU HA 1 45 PHE H . . 3.900 3.530 3.055 3.943 0.043 5 0 "[ . 1 . 2]" 1
518 1 43 GLU H 1 43 GLU HB2 . . 2.800 2.522 2.314 2.767 . 0 0 "[ . 1 . 2]" 1
519 1 43 GLU H 1 43 GLU HB3 . . 2.800 2.559 2.209 2.775 . 0 0 "[ . 1 . 2]" 1
520 1 43 GLU H 1 43 GLU HG2 . . 4.800 4.559 4.355 4.752 . 0 0 "[ . 1 . 2]" 1
521 1 43 GLU H 1 43 GLU HG3 . . 4.800 4.520 4.255 4.680 . 0 0 "[ . 1 . 2]" 1
522 1 43 GLU H 1 44 LYS H . . 3.000 2.548 2.283 2.760 . 0 0 "[ . 1 . 2]" 1
523 1 43 GLU H 1 45 PHE H . . 4.600 4.064 3.694 4.249 . 0 0 "[ . 1 . 2]" 1
524 1 43 GLU HA 1 43 GLU HG2 . . 3.700 3.375 2.351 3.783 0.083 7 0 "[ . 1 . 2]" 1
525 1 43 GLU HA 1 43 GLU HG3 . . 3.700 2.963 2.395 3.636 . 0 0 "[ . 1 . 2]" 1
526 1 43 GLU HA 1 44 LYS H . . 3.500 3.552 3.515 3.580 0.080 19 0 "[ . 1 . 2]" 1
527 1 43 GLU HA 1 46 LYS H . . 4.400 3.383 3.077 3.896 . 0 0 "[ . 1 . 2]" 1
528 1 43 GLU HA 1 46 LYS QG . . 5.200 3.353 2.081 4.562 . 0 0 "[ . 1 . 2]" 1
529 1 44 LYS H 1 44 LYS HA . . 2.700 2.779 2.765 2.792 0.092 13 0 "[ . 1 . 2]" 1
530 1 44 LYS H 1 44 LYS HB2 . . 2.600 2.060 1.922 2.192 . 0 0 "[ . 1 . 2]" 1
531 1 44 LYS H 1 44 LYS HB3 . . 3.200 3.142 2.810 3.288 0.088 16 0 "[ . 1 . 2]" 1
532 1 44 LYS H 1 44 LYS QD . . 6.000 3.866 2.552 4.760 . 0 0 "[ . 1 . 2]" 1
533 1 44 LYS H 1 44 LYS HG2 . . 4.900 4.219 3.182 4.624 . 0 0 "[ . 1 . 2]" 1
534 1 44 LYS H 1 44 LYS QG . . 4.530 3.631 2.997 4.040 . 0 0 "[ . 1 . 2]" 1
535 1 44 LYS H 1 44 LYS HG3 . . 4.900 4.069 3.076 4.531 . 0 0 "[ . 1 . 2]" 1
536 1 44 LYS H 1 45 PHE H . . 3.000 2.738 2.573 2.832 . 0 0 "[ . 1 . 2]" 1
537 1 44 LYS HA 1 44 LYS HB3 . . 3.000 2.939 2.776 3.048 0.048 3 0 "[ . 1 . 2]" 1
538 1 44 LYS HA 1 47 GLU H . . 4.400 3.326 2.951 3.788 . 0 0 "[ . 1 . 2]" 1
539 1 44 LYS HB2 1 45 PHE H . . 3.300 3.295 2.955 3.385 0.085 10 0 "[ . 1 . 2]" 1
540 1 44 LYS HB3 1 45 PHE H . . 3.500 2.865 2.271 3.459 . 0 0 "[ . 1 . 2]" 1
541 1 45 PHE CG 1 46 LYS H . . 7.000 4.077 3.817 4.222 . 0 0 "[ . 1 . 2]" 1
542 1 45 PHE CG 1 46 LYS HA . . 7.000 4.779 4.313 5.041 . 0 0 "[ . 1 . 2]" 1
543 1 45 PHE CG 1 48 ILE HB . . 7.000 4.520 3.696 5.088 . 0 0 "[ . 1 . 2]" 1
544 1 45 PHE CG 1 49 ALA MB . . 8.000 4.642 3.781 6.101 . 0 0 "[ . 1 . 2]" 1
545 1 45 PHE CZ 1 46 LYS HA . . 7.000 6.074 5.136 6.635 . 0 0 "[ . 1 . 2]" 1
546 1 45 PHE CZ 1 48 ILE MD . . 8.000 5.853 3.597 6.685 . 0 0 "[ . 1 . 2]" 1
547 1 45 PHE CZ 1 48 ILE MG . . 8.000 5.240 4.236 5.962 . 0 0 "[ . 1 . 2]" 1
548 1 45 PHE CZ 1 49 ALA MB . . 8.000 4.611 2.953 5.908 . 0 0 "[ . 1 . 2]" 1
549 1 45 PHE CZ 1 52 TYR CZ . . 9.000 6.781 5.862 9.062 0.062 20 0 "[ . 1 . 2]" 1
550 1 45 PHE H 1 45 PHE HB2 . . 2.900 2.448 2.317 2.589 . 0 0 "[ . 1 . 2]" 1
551 1 45 PHE H 1 45 PHE HB3 . . 3.000 2.538 2.419 2.683 . 0 0 "[ . 1 . 2]" 1
552 1 45 PHE H 1 46 LYS H . . 3.200 2.773 2.508 3.069 . 0 0 "[ . 1 . 2]" 1
553 1 45 PHE HA 1 45 PHE HB2 . . 3.000 2.486 2.446 2.521 . 0 0 "[ . 1 . 2]" 1
554 1 45 PHE HA 1 48 ILE MD . . 4.500 2.821 2.037 3.903 . 0 0 "[ . 1 . 2]" 1
555 1 45 PHE HB2 1 46 LYS H . . 3.800 3.872 3.860 3.882 0.082 3 0 "[ . 1 . 2]" 1
556 1 45 PHE HB3 1 46 LYS H . . 3.200 2.591 2.508 2.669 . 0 0 "[ . 1 . 2]" 1
557 1 46 LYS H 1 46 LYS HA . . 2.800 2.862 2.831 2.881 0.081 7 0 "[ . 1 . 2]" 1
558 1 46 LYS H 1 46 LYS QB . . 3.700 2.387 2.074 2.806 . 0 0 "[ . 1 . 2]" 1
559 1 46 LYS H 1 46 LYS QG . . 4.600 2.812 1.986 3.967 . 0 0 "[ . 1 . 2]" 1
560 1 46 LYS H 1 47 GLU H . . 2.800 2.785 2.658 2.879 0.079 3 0 "[ . 1 . 2]" 1
561 1 47 GLU H 1 47 GLU HB2 . . 2.900 1.935 1.788 2.042 . 0 0 "[ . 1 . 2]" 1
562 1 47 GLU H 1 47 GLU HB3 . . 3.100 2.950 2.440 3.142 0.042 11 0 "[ . 1 . 2]" 1
563 1 47 GLU H 1 47 GLU HG2 . . 3.900 3.902 3.570 4.007 0.107 6 0 "[ . 1 . 2]" 1
564 1 47 GLU H 1 47 GLU HG3 . . 4.000 3.894 3.397 4.082 0.082 15 0 "[ . 1 . 2]" 1
565 1 47 GLU H 1 48 ILE H . . 2.700 2.640 2.385 2.764 0.064 20 0 "[ . 1 . 2]" 1
566 1 47 GLU HA 1 47 GLU HB2 . . 2.700 2.760 2.689 2.792 0.092 12 0 "[ . 1 . 2]" 1
567 1 47 GLU HA 1 47 GLU HG2 . . 3.600 2.204 1.981 2.560 . 0 0 "[ . 1 . 2]" 1
568 1 47 GLU HA 1 47 GLU HG3 . . 4.200 3.169 2.498 3.622 . 0 0 "[ . 1 . 2]" 1
569 1 47 GLU HA 1 50 GLU H . . 3.800 3.471 3.051 3.854 0.054 8 0 "[ . 1 . 2]" 1
570 1 47 GLU HB2 1 48 ILE H . . 3.300 3.294 3.093 3.381 0.081 6 0 "[ . 1 . 2]" 1
571 1 47 GLU HB3 1 48 ILE H . . 3.300 2.701 2.291 3.019 . 0 0 "[ . 1 . 2]" 1
572 1 47 GLU HG2 1 48 ILE H . . 5.000 4.778 3.988 5.059 0.059 10 0 "[ . 1 . 2]" 1
573 1 48 ILE H 1 48 ILE HB . . 2.500 2.474 2.264 2.587 0.087 9 0 "[ . 1 . 2]" 1
574 1 48 ILE H 1 48 ILE MD . . 5.400 3.574 3.241 3.990 . 0 0 "[ . 1 . 2]" 1
575 1 48 ILE H 1 48 ILE HG12 . . 3.700 3.353 2.301 3.775 0.075 7 0 "[ . 1 . 2]" 1
576 1 48 ILE H 1 48 ILE QG . . 3.390 2.257 1.833 2.521 . 0 0 "[ . 1 . 2]" 1
577 1 48 ILE H 1 48 ILE HG13 . . 3.700 2.450 1.845 3.579 . 0 0 "[ . 1 . 2]" 1
578 1 48 ILE H 1 48 ILE MG . . 4.700 3.802 3.720 3.866 . 0 0 "[ . 1 . 2]" 1
579 1 48 ILE HA 1 48 ILE MD . . 4.400 3.569 2.261 3.822 . 0 0 "[ . 1 . 2]" 1
580 1 48 ILE HA 1 48 ILE HG12 . . 3.700 2.525 2.248 2.769 . 0 0 "[ . 1 . 2]" 1
581 1 48 ILE HA 1 48 ILE HG13 . . 3.700 3.018 2.626 3.771 0.071 16 0 "[ . 1 . 2]" 1
582 1 48 ILE HA 1 51 ALA H . . 3.600 3.516 3.210 3.676 0.076 20 0 "[ . 1 . 2]" 1
583 1 48 ILE HA 1 51 ALA MB . . 4.100 2.829 2.569 3.125 . 0 0 "[ . 1 . 2]" 1
584 1 48 ILE HA 1 52 TYR H . . 4.300 4.033 3.009 4.339 0.039 20 0 "[ . 1 . 2]" 1
585 1 48 ILE MD 1 52 TYR CZ . . 8.000 6.568 6.365 6.612 . 0 0 "[ . 1 . 2]" 1
586 1 48 ILE MG 1 52 TYR H . . 6.000 3.812 3.477 4.215 . 0 0 "[ . 1 . 2]" 1
587 1 48 ILE MG 1 52 TYR HB2 . . 6.000 2.786 2.156 3.462 . 0 0 "[ . 1 . 2]" 1
588 1 49 ALA H 1 49 ALA HA . . 2.900 2.812 2.772 2.949 0.049 12 0 "[ . 1 . 2]" 1
589 1 49 ALA H 1 49 ALA MB . . 3.600 2.244 2.172 2.667 . 0 0 "[ . 1 . 2]" 1
590 1 49 ALA H 1 50 GLU H . . 2.700 2.735 2.083 2.781 0.081 11 0 "[ . 1 . 2]" 1
591 1 49 ALA HA 1 52 TYR CZ . . 5.500 5.495 5.238 5.581 0.081 16 0 "[ . 1 . 2]" 1
592 1 49 ALA HA 1 52 TYR HB2 . . 4.000 2.247 1.977 3.497 . 0 0 "[ . 1 . 2]" 1
593 1 49 ALA HA 1 52 TYR HB3 . . 4.000 2.413 2.104 2.754 . 0 0 "[ . 1 . 2]" 1
594 1 49 ALA HA 1 53 ASP H . . 4.000 3.940 3.674 4.089 0.089 14 0 "[ . 1 . 2]" 1
595 1 49 ALA MB 1 50 GLU H . . 4.300 2.726 2.201 2.958 . 0 0 "[ . 1 . 2]" 1
596 1 49 ALA MB 1 52 TYR CZ . . 8.000 6.057 5.627 6.465 . 0 0 "[ . 1 . 2]" 1
597 1 50 GLU H 1 50 GLU HB2 . . 2.800 2.364 2.063 2.819 0.019 1 0 "[ . 1 . 2]" 1
598 1 50 GLU H 1 50 GLU HB3 . . 3.200 2.779 2.319 3.252 0.052 3 0 "[ . 1 . 2]" 1
599 1 50 GLU H 1 52 TYR H . . 3.700 3.736 3.613 3.774 0.074 17 0 "[ . 1 . 2]" 1
600 1 50 GLU HA 1 50 GLU HB2 . . 2.800 2.626 2.358 2.880 0.080 3 0 "[ . 1 . 2]" 1
601 1 50 GLU HA 1 50 GLU HB3 . . 3.000 3.019 2.854 3.053 0.053 7 0 "[ . 1 . 2]" 1
602 1 50 GLU HA 1 53 ASP H . . 3.800 3.734 3.399 3.875 0.075 10 0 "[ . 1 . 2]" 1
603 1 50 GLU HA 1 53 ASP HB2 . . 4.000 3.841 3.287 4.064 0.064 5 0 "[ . 1 . 2]" 1
604 1 50 GLU HA 1 53 ASP HB3 . . 4.000 3.528 2.979 4.059 0.059 3 0 "[ . 1 . 2]" 1
605 1 50 GLU QG 1 54 VAL MG2 . . 7.000 3.967 2.868 5.096 . 0 0 "[ . 1 . 2]" 1
606 1 51 ALA H 1 51 ALA MB . . 3.600 2.249 2.212 2.299 . 0 0 "[ . 1 . 2]" 1
607 1 51 ALA H 1 52 TYR H . . 3.100 2.430 2.261 2.559 . 0 0 "[ . 1 . 2]" 1
608 1 51 ALA HA 1 54 VAL MG2 . . 6.000 3.437 2.342 4.526 . 0 0 "[ . 1 . 2]" 1
609 1 51 ALA MB 1 52 TYR H . . 4.400 2.734 2.499 3.168 . 0 0 "[ . 1 . 2]" 1
610 1 51 ALA MB 1 55 LEU QD . . 8.570 2.398 2.053 3.169 . 0 0 "[ . 1 . 2]" 1
611 1 52 TYR CG 1 53 ASP HA . . 7.000 5.346 4.935 5.729 . 0 0 "[ . 1 . 2]" 1
612 1 52 TYR H 1 52 TYR HB2 . . 2.400 2.090 2.005 2.297 . 0 0 "[ . 1 . 2]" 1
613 1 52 TYR H 1 52 TYR HB3 . . 2.800 2.748 2.269 2.870 0.070 7 0 "[ . 1 . 2]" 1
614 1 52 TYR HA 1 52 TYR HB2 . . 3.000 2.651 2.456 2.742 . 0 0 "[ . 1 . 2]" 1
615 1 53 ASP H 1 53 ASP HB2 . . 2.900 2.426 2.262 2.590 . 0 0 "[ . 1 . 2]" 1
616 1 53 ASP H 1 53 ASP HB3 . . 3.000 2.562 2.234 2.889 . 0 0 "[ . 1 . 2]" 1
617 1 53 ASP H 1 54 VAL H . . 3.400 2.830 2.710 2.945 . 0 0 "[ . 1 . 2]" 1
618 1 53 ASP H 1 54 VAL MG2 . . 6.000 4.522 4.177 4.925 . 0 0 "[ . 1 . 2]" 1
619 1 53 ASP HA 1 53 ASP HB2 . . 2.900 2.492 2.398 2.628 . 0 0 "[ . 1 . 2]" 1
620 1 53 ASP HA 1 53 ASP HB3 . . 3.000 3.040 3.000 3.053 0.053 2 0 "[ . 1 . 2]" 1
621 1 53 ASP HA 1 56 SER H . . 5.000 4.159 3.650 5.001 0.001 13 0 "[ . 1 . 2]" 1
622 1 53 ASP HB2 1 54 VAL H . . 3.700 3.715 3.591 3.778 0.078 13 0 "[ . 1 . 2]" 1
623 1 53 ASP HB2 1 54 VAL MG2 . . 6.000 4.687 4.418 4.821 . 0 0 "[ . 1 . 2]" 1
624 1 53 ASP HB3 1 54 VAL H . . 3.400 2.372 2.165 2.654 . 0 0 "[ . 1 . 2]" 1
625 1 53 ASP HB3 1 54 VAL MG2 . . 6.000 3.154 2.869 3.476 . 0 0 "[ . 1 . 2]" 1
626 1 54 VAL H 1 54 VAL HB . . 2.800 2.346 1.951 2.620 . 0 0 "[ . 1 . 2]" 1
627 1 54 VAL H 1 54 VAL MG2 . . 4.300 2.307 2.087 2.694 . 0 0 "[ . 1 . 2]" 1
628 1 54 VAL H 1 55 LEU H . . 3.000 2.801 2.488 2.995 . 0 0 "[ . 1 . 2]" 1
629 1 54 VAL HA 1 57 ASP H . . 5.000 3.517 2.913 4.104 . 0 0 "[ . 1 . 2]" 1
630 1 54 VAL HB 1 55 LEU H . . 3.100 2.553 2.182 2.965 . 0 0 "[ . 1 . 2]" 1
631 1 54 VAL MG1 1 55 LEU H . . 5.600 3.107 2.859 3.382 . 0 0 "[ . 1 . 2]" 1
632 1 54 VAL MG1 1 55 LEU HB3 . . 6.000 4.808 4.614 4.864 . 0 0 "[ . 1 . 2]" 1
633 1 54 VAL MG1 1 60 LYS HB3 . . 6.000 3.456 2.503 4.617 . 0 0 "[ . 1 . 2]" 1
634 1 54 VAL MG1 1 60 LYS HG2 . . 6.000 4.144 2.718 4.901 . 0 0 "[ . 1 . 2]" 1
635 1 54 VAL MG1 1 60 LYS HG3 . . 6.000 4.139 2.532 4.857 . 0 0 "[ . 1 . 2]" 1
636 1 54 VAL MG1 1 61 ARG H . . 6.000 3.489 2.795 4.045 . 0 0 "[ . 1 . 2]" 1
637 1 54 VAL MG1 1 61 ARG HA . . 4.400 2.660 2.188 3.246 . 0 0 "[ . 1 . 2]" 1
638 1 54 VAL MG1 1 64 PHE CG . . 8.000 4.005 3.179 5.053 . 0 0 "[ . 1 . 2]" 1
639 1 54 VAL MG1 1 64 PHE H . . 6.000 4.728 4.355 5.094 . 0 0 "[ . 1 . 2]" 1
640 1 54 VAL MG1 1 64 PHE QB . . 6.000 3.193 2.703 3.816 . 0 0 "[ . 1 . 2]" 1
641 1 54 VAL MG1 1 72 LEU QD . . 7.770 3.298 2.225 4.025 . 0 0 "[ . 1 . 2]" 1
642 1 54 VAL MG2 1 55 LEU H . . 6.000 3.943 3.699 4.142 . 0 0 "[ . 1 . 2]" 1
643 1 54 VAL MG2 1 60 LYS HB2 . . 6.000 4.256 3.390 4.956 . 0 0 "[ . 1 . 2]" 1
644 1 54 VAL MG2 1 60 LYS HB3 . . 6.000 3.273 2.205 4.040 . 0 0 "[ . 1 . 2]" 1
645 1 54 VAL MG2 1 60 LYS QG . . 6.880 2.440 2.038 3.570 . 0 0 "[ . 1 . 2]" 1
646 1 54 VAL MG2 1 61 ARG QD . . 6.880 5.109 4.660 5.245 . 0 0 "[ . 1 . 2]" 1
647 1 54 VAL MG2 1 72 LEU QD . . 7.970 2.876 1.918 4.118 . 0 0 "[ . 1 . 2]" 1
648 1 55 LEU H 1 55 LEU HB2 . . 3.200 2.279 2.179 2.411 . 0 0 "[ . 1 . 2]" 1
649 1 55 LEU H 1 55 LEU HB3 . . 3.400 3.364 2.458 3.487 0.087 20 0 "[ . 1 . 2]" 1
650 1 55 LEU H 1 55 LEU HG . . 4.400 3.359 2.253 4.469 0.069 17 0 "[ . 1 . 2]" 1
651 1 55 LEU H 1 56 SER H . . 3.200 2.892 2.585 3.261 0.061 13 0 "[ . 1 . 2]" 1
652 1 55 LEU HA 1 55 LEU HB3 . . 3.000 2.555 2.362 3.025 0.025 17 0 "[ . 1 . 2]" 1
653 1 55 LEU HA 1 55 LEU HG . . 3.300 2.784 2.145 3.391 0.091 16 0 "[ . 1 . 2]" 1
654 1 55 LEU HA 1 57 ASP H . . 5.000 4.261 3.591 4.993 . 0 0 "[ . 1 . 2]" 1
655 1 55 LEU HB2 1 56 SER H . . 4.300 3.799 2.868 4.371 0.071 14 0 "[ . 1 . 2]" 1
656 1 55 LEU QD 1 61 ARG QD . . 7.420 2.363 1.904 3.311 . 0 0 "[ . 1 . 2]" 1
657 1 55 LEU QD 1 61 ARG HE . . 7.570 3.643 2.301 4.734 . 0 0 "[ . 1 . 2]" 1
658 1 55 LEU QD 1 61 ARG HG2 . . 7.570 4.033 3.493 4.891 . 0 0 "[ . 1 . 2]" 1
659 1 55 LEU QD 1 61 ARG HG3 . . 7.570 3.516 2.590 4.190 . 0 0 "[ . 1 . 2]" 1
660 1 55 LEU QD 1 64 PHE CG . . 9.270 5.282 4.379 5.998 . 0 0 "[ . 1 . 2]" 1
661 1 55 LEU MD1 1 61 ARG HD2 . . 9.140 3.758 2.308 5.255 . 0 0 "[ . 1 . 2]" 1
662 1 55 LEU MD1 1 61 ARG HD3 . . 9.140 4.303 2.194 6.621 . 0 0 "[ . 1 . 2]" 1
663 1 55 LEU MD1 1 64 PHE CZ . . 8.000 5.822 4.050 6.650 . 0 0 "[ . 1 . 2]" 1
664 1 55 LEU MD2 1 61 ARG HD2 . . 9.140 3.538 1.969 5.947 . 0 0 "[ . 1 . 2]" 1
665 1 55 LEU MD2 1 61 ARG HD3 . . 9.140 4.143 2.439 5.917 . 0 0 "[ . 1 . 2]" 1
666 1 55 LEU MD2 1 64 PHE CZ . . 8.000 5.830 4.496 6.600 . 0 0 "[ . 1 . 2]" 1
667 1 56 SER H 1 56 SER HB2 . . 4.200 3.811 3.581 4.034 . 0 0 "[ . 1 . 2]" 1
668 1 56 SER H 1 56 SER HB3 . . 3.500 3.106 2.490 3.564 0.064 2 0 "[ . 1 . 2]" 1
669 1 56 SER H 1 57 ASP H . . 3.200 2.182 1.613 2.722 . 0 0 "[ . 1 . 2]" 1
670 1 56 SER HA 1 56 SER HB2 . . 2.800 2.418 2.288 2.499 . 0 0 "[ . 1 . 2]" 1
671 1 56 SER HA 1 56 SER HB3 . . 2.900 2.402 2.315 2.524 . 0 0 "[ . 1 . 2]" 1
672 1 57 ASP H 1 57 ASP HB2 . . 3.100 2.941 2.603 3.175 0.075 16 0 "[ . 1 . 2]" 1
673 1 57 ASP H 1 57 ASP HB3 . . 2.900 2.464 2.294 2.621 . 0 0 "[ . 1 . 2]" 1
674 1 57 ASP HA 1 57 ASP HB2 . . 2.800 2.395 2.339 2.442 . 0 0 "[ . 1 . 2]" 1
675 1 57 ASP HA 1 58 PRO HA . . 4.600 4.510 4.438 4.575 . 0 0 "[ . 1 . 2]" 1
676 1 57 ASP HA 1 58 PRO QB . . 5.680 4.683 4.499 4.818 . 0 0 "[ . 1 . 2]" 1
677 1 57 ASP HA 1 58 PRO HD2 . . 2.700 2.197 2.034 2.430 . 0 0 "[ . 1 . 2]" 1
678 1 57 ASP HA 1 58 PRO HD3 . . 2.700 2.568 2.293 2.760 0.060 19 0 "[ . 1 . 2]" 1
679 1 57 ASP HA 1 59 ARG H . . 5.000 3.836 3.348 4.209 . 0 0 "[ . 1 . 2]" 1
680 1 57 ASP HB2 1 60 LYS H . . 5.000 4.542 4.168 5.086 0.086 2 0 "[ . 1 . 2]" 1
681 1 58 PRO HA 1 61 ARG H . . 3.900 3.569 3.004 3.975 0.075 12 0 "[ . 1 . 2]" 1
682 1 58 PRO HA 1 61 ARG QB . . 4.600 2.693 2.133 3.504 . 0 0 "[ . 1 . 2]" 1
683 1 58 PRO HA 1 61 ARG QD . . 5.880 4.195 2.693 5.218 . 0 0 "[ . 1 . 2]" 1
684 1 58 PRO QB 1 59 ARG QD . . 6.350 4.108 2.950 5.117 . 0 0 "[ . 1 . 2]" 1
685 1 59 ARG H 1 59 ARG QB . . 3.500 2.463 2.257 2.806 . 0 0 "[ . 1 . 2]" 1
686 1 59 ARG H 1 59 ARG HG2 . . 4.800 3.822 2.369 4.825 0.025 17 0 "[ . 1 . 2]" 1
687 1 59 ARG H 1 59 ARG QG . . 4.570 3.148 2.152 3.909 . 0 0 "[ . 1 . 2]" 1
688 1 59 ARG H 1 59 ARG HG3 . . 4.800 3.622 2.171 4.361 . 0 0 "[ . 1 . 2]" 1
689 1 59 ARG H 1 60 LYS H . . 3.200 2.380 2.102 2.746 . 0 0 "[ . 1 . 2]" 1
690 1 59 ARG H 1 61 ARG H . . 5.000 3.826 2.878 4.931 . 0 0 "[ . 1 . 2]" 1
691 1 59 ARG HA 1 59 ARG HD2 . . 5.000 3.679 2.259 4.981 . 0 0 "[ . 1 . 2]" 1
692 1 59 ARG HA 1 59 ARG HD3 . . 5.000 4.064 2.532 4.787 . 0 0 "[ . 1 . 2]" 1
693 1 59 ARG HA 1 59 ARG HG2 . . 3.700 3.378 2.441 3.766 0.066 19 0 "[ . 1 . 2]" 1
694 1 59 ARG HA 1 59 ARG HG3 . . 3.700 2.901 2.174 3.785 0.085 3 0 "[ . 1 . 2]" 1
695 1 59 ARG HA 1 62 GLU H . . 3.700 3.236 2.787 3.626 . 0 0 "[ . 1 . 2]" 1
696 1 59 ARG HA 1 62 GLU HB2 . . 3.900 2.529 2.033 3.033 . 0 0 "[ . 1 . 2]" 1
697 1 59 ARG HA 1 62 GLU HB3 . . 3.900 3.223 2.542 3.949 0.049 8 0 "[ . 1 . 2]" 1
698 1 59 ARG HA 1 62 GLU HG2 . . 5.000 4.735 3.380 5.075 0.075 11 0 "[ . 1 . 2]" 1
699 1 59 ARG HA 1 62 GLU HG3 . . 5.000 4.431 3.951 5.081 0.081 7 0 "[ . 1 . 2]" 1
700 1 60 LYS H 1 60 LYS HB2 . . 2.700 2.412 2.198 2.771 0.071 3 0 "[ . 1 . 2]" 1
701 1 60 LYS H 1 60 LYS HB3 . . 3.200 2.670 2.337 2.982 . 0 0 "[ . 1 . 2]" 1
702 1 60 LYS H 1 60 LYS QE . . 6.000 4.655 3.830 5.408 . 0 0 "[ . 1 . 2]" 1
703 1 60 LYS H 1 60 LYS QG . . 4.680 3.955 3.789 4.131 . 0 0 "[ . 1 . 2]" 1
704 1 60 LYS H 1 61 ARG H . . 3.100 2.630 2.270 2.881 . 0 0 "[ . 1 . 2]" 1
705 1 60 LYS HA 1 60 LYS HB2 . . 2.600 2.582 2.418 2.681 0.081 4 0 "[ . 1 . 2]" 1
706 1 60 LYS HA 1 63 ILE H . . 4.500 3.988 3.013 4.590 0.090 13 0 "[ . 1 . 2]" 1
707 1 60 LYS HB3 1 61 ARG H . . 3.400 2.557 2.292 3.092 . 0 0 "[ . 1 . 2]" 1
708 1 60 LYS QE 1 61 ARG H . . 6.000 4.971 4.582 5.443 . 0 0 "[ . 1 . 2]" 1
709 1 61 ARG H 1 61 ARG QB . . 3.800 2.101 1.981 2.318 . 0 0 "[ . 1 . 2]" 1
710 1 61 ARG H 1 61 ARG HG2 . . 5.000 4.365 3.830 4.521 . 0 0 "[ . 1 . 2]" 1
711 1 61 ARG H 1 61 ARG HG3 . . 3.700 3.590 2.594 3.799 0.099 13 0 "[ . 1 . 2]" 1
712 1 61 ARG H 1 62 GLU H . . 3.100 2.898 2.700 3.045 . 0 0 "[ . 1 . 2]" 1
713 1 61 ARG HA 1 61 ARG HD2 . . 4.700 4.328 4.075 4.585 . 0 0 "[ . 1 . 2]" 1
714 1 61 ARG HA 1 61 ARG QD . . 4.370 3.861 3.772 4.033 . 0 0 "[ . 1 . 2]" 1
715 1 61 ARG HA 1 61 ARG HD3 . . 4.700 4.356 4.204 4.540 . 0 0 "[ . 1 . 2]" 1
716 1 61 ARG HA 1 61 ARG HE . . 5.000 4.766 4.230 5.078 0.078 13 0 "[ . 1 . 2]" 1
717 1 61 ARG HA 1 61 ARG HG2 . . 3.200 2.551 2.292 2.760 . 0 0 "[ . 1 . 2]" 1
718 1 61 ARG HA 1 61 ARG HG3 . . 2.700 2.248 2.019 2.639 . 0 0 "[ . 1 . 2]" 1
719 1 61 ARG HA 1 62 GLU H . . 3.600 3.534 3.455 3.617 0.017 9 0 "[ . 1 . 2]" 1
720 1 61 ARG HA 1 64 PHE CG . . 7.000 4.380 3.695 5.127 . 0 0 "[ . 1 . 2]" 1
721 1 61 ARG HA 1 64 PHE H . . 4.300 3.047 2.592 3.608 . 0 0 "[ . 1 . 2]" 1
722 1 61 ARG HA 1 64 PHE QB . . 4.300 2.450 1.979 3.052 . 0 0 "[ . 1 . 2]" 1
723 1 61 ARG HA 1 65 ASP H . . 4.900 3.853 3.673 4.156 . 0 0 "[ . 1 . 2]" 1
724 1 61 ARG HE 1 61 ARG HG2 . . 3.600 2.669 2.186 3.662 0.062 1 0 "[ . 1 . 2]" 1
725 1 61 ARG HE 1 61 ARG HG3 . . 3.700 3.277 2.335 3.774 0.074 19 0 "[ . 1 . 2]" 1
726 1 62 GLU H 1 62 GLU HB2 . . 2.800 2.225 1.920 2.465 . 0 0 "[ . 1 . 2]" 1
727 1 62 GLU H 1 62 GLU HB3 . . 2.800 2.685 2.193 2.878 0.078 4 0 "[ . 1 . 2]" 1
728 1 62 GLU H 1 62 GLU HG2 . . 5.000 4.431 3.995 4.624 . 0 0 "[ . 1 . 2]" 1
729 1 62 GLU H 1 62 GLU HG3 . . 5.000 4.315 3.903 4.604 . 0 0 "[ . 1 . 2]" 1
730 1 62 GLU H 1 63 ILE H . . 3.000 2.817 2.406 3.071 0.071 13 0 "[ . 1 . 2]" 1
731 1 62 GLU H 1 65 ASP H . . 4.900 4.663 4.471 4.745 . 0 0 "[ . 1 . 2]" 1
732 1 62 GLU HA 1 65 ASP H . . 3.600 3.502 3.191 3.659 0.059 2 0 "[ . 1 . 2]" 1
733 1 62 GLU HA 1 65 ASP HB2 . . 3.400 3.308 2.353 3.478 0.078 2 0 "[ . 1 . 2]" 1
734 1 62 GLU HA 1 65 ASP QB . . 3.180 2.666 2.318 3.005 . 0 0 "[ . 1 . 2]" 1
735 1 62 GLU HA 1 65 ASP HB3 . . 3.400 2.887 2.410 3.476 0.076 17 0 "[ . 1 . 2]" 1
736 1 62 GLU HB2 1 63 ILE H . . 3.800 3.769 3.491 3.878 0.078 12 0 "[ . 1 . 2]" 1
737 1 62 GLU HB3 1 63 ILE H . . 3.400 2.694 2.491 3.109 . 0 0 "[ . 1 . 2]" 1
738 1 62 GLU HG2 1 63 ILE H . . 5.000 4.582 3.928 5.077 0.077 14 0 "[ . 1 . 2]" 1
739 1 62 GLU HG3 1 63 ILE H . . 5.000 4.791 3.401 5.063 0.063 20 0 "[ . 1 . 2]" 1
740 1 63 ILE H 1 63 ILE HB . . 2.800 2.566 2.378 2.744 . 0 0 "[ . 1 . 2]" 1
741 1 63 ILE H 1 63 ILE MD . . 5.500 3.638 3.400 3.884 . 0 0 "[ . 1 . 2]" 1
742 1 63 ILE H 1 63 ILE HG12 . . 3.300 3.252 2.863 3.367 0.067 10 0 "[ . 1 . 2]" 1
743 1 63 ILE H 1 63 ILE QG . . 3.080 2.077 1.790 2.320 . 0 0 "[ . 1 . 2]" 1
744 1 63 ILE H 1 63 ILE HG13 . . 3.300 2.103 1.808 2.365 . 0 0 "[ . 1 . 2]" 1
745 1 63 ILE H 1 64 PHE H . . 3.400 2.592 2.434 2.793 . 0 0 "[ . 1 . 2]" 1
746 1 63 ILE HA 1 63 ILE MD . . 4.600 3.870 3.706 3.965 . 0 0 "[ . 1 . 2]" 1
747 1 63 ILE HA 1 63 ILE HG12 . . 3.300 2.572 2.326 2.744 . 0 0 "[ . 1 . 2]" 1
748 1 63 ILE HA 1 63 ILE HG13 . . 3.300 3.186 3.041 3.355 0.055 9 0 "[ . 1 . 2]" 1
749 1 63 ILE HA 1 66 ARG HB2 . . 4.900 4.493 3.431 4.958 0.058 19 0 "[ . 1 . 2]" 1
750 1 63 ILE HA 1 66 ARG HB3 . . 3.700 3.211 2.230 3.786 0.086 9 0 "[ . 1 . 2]" 1
751 1 63 ILE HA 1 67 TYR CG . . 6.000 4.970 4.477 5.480 . 0 0 "[ . 1 . 2]" 1
752 1 63 ILE HA 1 67 TYR CZ . . 7.000 5.577 4.979 6.380 . 0 0 "[ . 1 . 2]" 1
753 1 63 ILE HB 1 64 PHE H . . 3.300 2.727 2.236 3.042 . 0 0 "[ . 1 . 2]" 1
754 1 63 ILE HB 1 72 LEU QD . . 6.070 3.310 2.380 4.769 . 0 0 "[ . 1 . 2]" 1
755 1 63 ILE MD 1 64 PHE H . . 6.000 4.690 4.115 5.044 . 0 0 "[ . 1 . 2]" 1
756 1 63 ILE MD 1 67 TYR CG . . 8.000 6.526 5.867 6.657 . 0 0 "[ . 1 . 2]" 1
757 1 63 ILE MD 1 67 TYR CZ . . 8.000 6.424 5.951 6.661 . 0 0 "[ . 1 . 2]" 1
758 1 63 ILE MD 1 72 LEU HA . . 6.000 4.260 3.304 4.935 . 0 0 "[ . 1 . 2]" 1
759 1 63 ILE MG 1 64 PHE H . . 6.000 3.643 3.176 4.002 . 0 0 "[ . 1 . 2]" 1
760 1 63 ILE MG 1 67 TYR CG . . 6.700 3.855 3.558 4.135 . 0 0 "[ . 1 . 2]" 1
761 1 63 ILE MG 1 67 TYR CZ . . 8.000 4.378 3.830 5.111 . 0 0 "[ . 1 . 2]" 1
762 1 63 ILE MG 1 67 TYR HB3 . . 6.000 4.588 3.618 4.940 . 0 0 "[ . 1 . 2]" 1
763 1 63 ILE MG 1 71 GLY QA . . 6.580 2.722 2.151 4.162 . 0 0 "[ . 1 . 2]" 1
764 1 63 ILE MG 1 72 LEU H . . 5.700 3.860 2.637 4.651 . 0 0 "[ . 1 . 2]" 1
765 1 63 ILE MG 1 72 LEU HA . . 4.400 2.980 2.381 3.575 . 0 0 "[ . 1 . 2]" 1
766 1 64 PHE CG 1 65 ASP H . . 7.000 4.246 3.636 4.627 . 0 0 "[ . 1 . 2]" 1
767 1 64 PHE CG 1 65 ASP HA . . 7.000 4.906 4.332 5.638 . 0 0 "[ . 1 . 2]" 1
768 1 64 PHE CG 1 68 GLY HA2 . . 7.000 4.021 2.639 5.570 . 0 0 "[ . 1 . 2]" 1
769 1 64 PHE CG 1 68 GLY QA . . 6.550 3.922 2.582 5.310 . 0 0 "[ . 1 . 2]" 1
770 1 64 PHE CG 1 68 GLY HA3 . . 7.000 5.547 3.657 6.989 . 0 0 "[ . 1 . 2]" 1
771 1 64 PHE CG 1 69 GLU H . . 7.000 4.734 3.011 6.333 . 0 0 "[ . 1 . 2]" 1
772 1 64 PHE CG 1 69 GLU HA . . 6.700 4.783 3.345 6.762 0.062 20 0 "[ . 1 . 2]" 1
773 1 64 PHE CG 1 72 LEU HB2 . . 7.000 4.444 3.800 5.782 . 0 0 "[ . 1 . 2]" 1
774 1 64 PHE CG 1 72 LEU MD1 . . 8.000 5.003 3.154 6.522 . 0 0 "[ . 1 . 2]" 1
775 1 64 PHE CG 1 72 LEU MD2 . . 8.000 4.470 3.213 6.225 . 0 0 "[ . 1 . 2]" 1
776 1 64 PHE CZ 1 68 GLY HA2 . . 7.000 4.523 3.443 5.675 . 0 0 "[ . 1 . 2]" 1
777 1 64 PHE CZ 1 68 GLY HA3 . . 7.000 5.677 3.882 7.074 0.074 16 0 "[ . 1 . 2]" 1
778 1 64 PHE CZ 1 69 GLU H . . 7.000 4.530 2.922 6.066 . 0 0 "[ . 1 . 2]" 1
779 1 64 PHE CZ 1 69 GLU HA . . 7.000 4.529 3.041 6.469 . 0 0 "[ . 1 . 2]" 1
780 1 64 PHE CZ 1 69 GLU QB . . 7.880 4.515 3.037 7.079 . 0 0 "[ . 1 . 2]" 1
781 1 64 PHE CZ 1 72 LEU QD . . 9.570 4.995 3.573 6.209 . 0 0 "[ . 1 . 2]" 1
782 1 64 PHE H 1 64 PHE QB . . 3.800 2.175 1.974 2.341 . 0 0 "[ . 1 . 2]" 1
783 1 64 PHE H 1 65 ASP H . . 3.700 2.578 2.299 2.863 . 0 0 "[ . 1 . 2]" 1
784 1 64 PHE H 1 72 LEU QD . . 7.570 3.757 2.534 4.949 . 0 0 "[ . 1 . 2]" 1
785 1 64 PHE HA 1 67 TYR HB2 . . 3.800 3.788 3.438 3.892 0.092 20 0 "[ . 1 . 2]" 1
786 1 64 PHE HA 1 72 LEU QD . . 7.570 3.899 2.699 5.163 . 0 0 "[ . 1 . 2]" 1
787 1 64 PHE QB 1 65 ASP H . . 4.400 2.707 2.298 3.057 . 0 0 "[ . 1 . 2]" 1
788 1 64 PHE QB 1 72 LEU MD1 . . 7.000 3.740 2.160 5.024 . 0 0 "[ . 1 . 2]" 1
789 1 64 PHE QB 1 72 LEU MD2 . . 7.000 3.369 2.137 5.043 . 0 0 "[ . 1 . 2]" 1
790 1 65 ASP H 1 65 ASP HB2 . . 3.400 2.331 2.048 2.641 . 0 0 "[ . 1 . 2]" 1
791 1 65 ASP H 1 65 ASP HB3 . . 3.400 2.683 2.364 3.213 . 0 0 "[ . 1 . 2]" 1
792 1 65 ASP H 1 66 ARG H . . 3.400 2.654 2.470 2.962 . 0 0 "[ . 1 . 2]" 1
793 1 65 ASP QB 1 66 ARG HA . . 5.880 4.121 3.662 4.466 . 0 0 "[ . 1 . 2]" 1
794 1 66 ARG H 1 66 ARG HB2 . . 3.400 3.121 2.656 3.493 0.093 11 0 "[ . 1 . 2]" 1
795 1 66 ARG H 1 66 ARG HB3 . . 3.300 2.226 2.130 2.399 . 0 0 "[ . 1 . 2]" 1
796 1 66 ARG H 1 66 ARG HG2 . . 5.000 3.601 2.465 4.513 . 0 0 "[ . 1 . 2]" 1
797 1 66 ARG H 1 66 ARG QG . . 4.820 3.350 2.431 3.955 . 0 0 "[ . 1 . 2]" 1
798 1 66 ARG H 1 66 ARG HG3 . . 5.000 4.199 3.719 4.629 . 0 0 "[ . 1 . 2]" 1
799 1 66 ARG H 1 67 TYR H . . 3.400 2.619 2.050 2.847 . 0 0 "[ . 1 . 2]" 1
800 1 66 ARG HA 1 66 ARG HB2 . . 2.900 2.287 2.216 2.365 . 0 0 "[ . 1 . 2]" 1
801 1 66 ARG HA 1 66 ARG HB3 . . 2.900 2.807 2.476 2.986 0.086 16 0 "[ . 1 . 2]" 1
802 1 66 ARG HA 1 66 ARG HG2 . . 3.900 3.775 3.405 3.982 0.082 17 0 "[ . 1 . 2]" 1
803 1 66 ARG HA 1 66 ARG HG3 . . 3.900 3.317 2.734 3.785 . 0 0 "[ . 1 . 2]" 1
804 1 66 ARG HB2 1 67 TYR CG . . 7.000 5.391 4.794 5.957 . 0 0 "[ . 1 . 2]" 1
805 1 66 ARG HB2 1 67 TYR CZ . . 7.000 5.717 5.040 6.975 . 0 0 "[ . 1 . 2]" 1
806 1 66 ARG HB2 1 67 TYR H . . 3.800 3.874 3.793 3.892 0.092 6 0 "[ . 1 . 2]" 1
807 1 66 ARG HB3 1 67 TYR CG . . 7.000 4.851 4.101 6.158 . 0 0 "[ . 1 . 2]" 1
808 1 66 ARG HB3 1 67 TYR CZ . . 7.000 5.518 4.501 7.074 0.074 11 0 "[ . 1 . 2]" 1
809 1 66 ARG HB3 1 67 TYR H . . 4.000 3.008 2.319 3.912 . 0 0 "[ . 1 . 2]" 1
810 1 66 ARG QD 1 67 TYR CZ . . 8.000 3.623 2.565 4.799 . 0 0 "[ . 1 . 2]" 1
811 1 66 ARG QG 1 67 TYR CG . . 7.880 2.840 2.536 3.425 . 0 0 "[ . 1 . 2]" 1
812 1 66 ARG QG 1 67 TYR CZ . . 7.880 3.218 2.682 4.310 . 0 0 "[ . 1 . 2]" 1
813 1 66 ARG QG 1 67 TYR H . . 5.880 2.610 2.058 3.191 . 0 0 "[ . 1 . 2]" 1
814 1 66 ARG QG 1 67 TYR HB3 . . 5.880 4.391 4.120 4.827 . 0 0 "[ . 1 . 2]" 1
815 1 67 TYR CG 1 68 GLY H . . 7.000 4.380 3.803 5.153 . 0 0 "[ . 1 . 2]" 1
816 1 67 TYR CG 1 71 GLY QA . . 7.880 3.023 2.479 3.606 . 0 0 "[ . 1 . 2]" 1
817 1 67 TYR CZ 1 67 TYR HA . . 5.600 5.108 4.644 5.442 . 0 0 "[ . 1 . 2]" 1
818 1 67 TYR H 1 67 TYR HB2 . . 3.400 2.531 2.252 2.689 . 0 0 "[ . 1 . 2]" 1
819 1 67 TYR H 1 67 TYR HB3 . . 4.100 3.677 3.535 3.808 . 0 0 "[ . 1 . 2]" 1
820 1 67 TYR H 1 68 GLY H . . 3.000 2.774 2.496 3.085 0.085 6 0 "[ . 1 . 2]" 1
821 1 67 TYR HA 1 67 TYR HB3 . . 2.900 2.456 2.335 2.657 . 0 0 "[ . 1 . 2]" 1
822 1 67 TYR HB2 1 71 GLY H . . 4.100 3.125 2.251 4.166 0.066 20 0 "[ . 1 . 2]" 1
823 1 67 TYR HB2 1 71 GLY HA2 . . 3.400 3.444 2.900 3.497 0.097 17 0 "[ . 1 . 2]" 1
824 1 67 TYR HB2 1 71 GLY QA . . 3.130 2.074 1.873 2.168 . 0 0 "[ . 1 . 2]" 1
825 1 67 TYR HB2 1 71 GLY HA3 . . 3.400 2.092 1.880 2.190 . 0 0 "[ . 1 . 2]" 1
826 1 67 TYR HB3 1 71 GLY H . . 4.600 3.068 2.050 4.353 . 0 0 "[ . 1 . 2]" 1
827 1 67 TYR HB3 1 71 GLY HA2 . . 3.700 3.414 2.772 3.712 0.012 13 0 "[ . 1 . 2]" 1
828 1 67 TYR HB3 1 71 GLY QA . . 3.250 2.612 2.011 3.056 . 0 0 "[ . 1 . 2]" 1
829 1 67 TYR HB3 1 71 GLY HA3 . . 3.700 2.731 2.036 3.377 . 0 0 "[ . 1 . 2]" 1
830 1 68 GLY H 1 69 GLU H . . 5.000 3.779 2.548 4.546 . 0 0 "[ . 1 . 2]" 1
831 1 68 GLY QA 1 69 GLU H . . 3.130 2.255 2.081 2.627 . 0 0 "[ . 1 . 2]" 1
832 1 68 GLY HA2 1 69 GLU H . . 3.400 2.661 2.102 3.478 0.078 11 0 "[ . 1 . 2]" 1
833 1 68 GLY HA3 1 69 GLU H . . 3.400 2.819 2.144 3.484 0.084 4 0 "[ . 1 . 2]" 1
834 1 69 GLU H 1 69 GLU HB2 . . 3.600 2.926 2.078 3.657 0.057 2 0 "[ . 1 . 2]" 1
835 1 69 GLU H 1 69 GLU HB3 . . 3.600 3.205 2.515 3.696 0.096 4 0 "[ . 1 . 2]" 1
836 1 69 GLU H 1 70 GLU H . . 4.300 3.129 2.107 4.393 0.093 15 0 "[ . 1 . 2]" 1
837 1 69 GLU HA 1 72 LEU H . . 4.200 3.780 3.099 4.274 0.074 4 0 "[ . 1 . 2]" 1
838 1 70 GLU H 1 70 GLU HB2 . . 3.600 2.808 2.011 3.692 0.092 20 0 "[ . 1 . 2]" 1
839 1 70 GLU H 1 70 GLU HB3 . . 3.600 3.031 2.370 3.680 0.080 15 0 "[ . 1 . 2]" 1
840 1 70 GLU H 1 70 GLU HG2 . . 4.300 3.397 2.074 4.374 0.074 7 0 "[ . 1 . 2]" 1
841 1 70 GLU H 1 70 GLU HG3 . . 5.000 3.859 2.559 5.076 0.076 15 0 "[ . 1 . 2]" 1
842 1 70 GLU H 1 71 GLY H . . 3.700 2.869 1.713 3.783 0.083 20 0 "[ . 1 . 2]" 1
843 1 72 LEU H 1 72 LEU HB2 . . 2.800 2.509 2.255 2.798 . 0 0 "[ . 1 . 2]" 1
844 1 72 LEU H 1 72 LEU HB3 . . 2.800 2.600 2.318 2.849 0.049 5 0 "[ . 1 . 2]" 1
845 1 72 LEU HA 1 72 LEU HB2 . . 2.600 2.538 2.437 2.664 0.064 5 0 "[ . 1 . 2]" 1
846 1 73 LYS H 1 73 LYS HB2 . . 3.200 2.603 2.230 3.272 0.072 7 0 "[ . 1 . 2]" 1
847 1 73 LYS H 1 73 LYS HB3 . . 3.200 2.757 2.333 3.229 0.029 20 0 "[ . 1 . 2]" 1
848 1 73 LYS H 1 74 GLY H . . 3.800 3.147 2.216 3.877 0.077 15 0 "[ . 1 . 2]" 1
849 1 73 LYS HA 1 74 GLY H . . 3.400 2.794 2.155 3.479 0.079 11 0 "[ . 1 . 2]" 1
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