NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
382435 |
1jh3   |
5070 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jh3
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 1303
_Distance_constraint_stats_list.Viol_count 3153
_Distance_constraint_stats_list.Viol_total 4147.543
_Distance_constraint_stats_list.Viol_max 0.111
_Distance_constraint_stats_list.Viol_rms 0.0228
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0080
_Distance_constraint_stats_list.Viol_average_violations_only 0.0658
_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 6 ASP 1.058 0.089 5 0 "[ . 1 . 2]"
1 7 ILE 2.067 0.089 5 0 "[ . 1 . 2]"
1 8 ALA 3.548 0.104 3 0 "[ . 1 . 2]"
1 9 ASN 4.266 0.095 1 0 "[ . 1 . 2]"
1 10 LEU 7.482 0.105 17 0 "[ . 1 . 2]"
1 11 THR 6.060 0.101 12 0 "[ . 1 . 2]"
1 12 ALA 6.677 0.095 18 0 "[ . 1 . 2]"
1 13 ALA 3.003 0.093 1 0 "[ . 1 . 2]"
1 14 GLU 5.064 0.092 12 0 "[ . 1 . 2]"
1 15 ILE 4.545 0.088 13 0 "[ . 1 . 2]"
1 16 GLU 3.565 0.095 18 0 "[ . 1 . 2]"
1 17 GLN 3.388 0.087 4 0 "[ . 1 . 2]"
1 18 GLY 2.942 0.085 7 0 "[ . 1 . 2]"
1 19 PHE 3.719 0.088 13 0 "[ . 1 . 2]"
1 20 LYS 3.341 0.095 15 0 "[ . 1 . 2]"
1 21 ASP 1.614 0.100 9 0 "[ . 1 . 2]"
1 22 VAL 2.204 0.095 2 0 "[ . 1 . 2]"
1 23 PRO 1.839 0.089 12 0 "[ . 1 . 2]"
1 24 SER 3.747 0.097 12 0 "[ . 1 . 2]"
1 25 PHE 5.140 0.095 4 0 "[ . 1 . 2]"
1 26 VAL 4.611 0.090 7 0 "[ . 1 . 2]"
1 27 HIS 10.109 0.107 6 0 "[ . 1 . 2]"
1 28 GLU 2.836 0.096 2 0 "[ . 1 . 2]"
1 29 GLY 1.616 0.088 11 0 "[ . 1 . 2]"
1 30 GLY 1.189 0.093 19 0 "[ . 1 . 2]"
1 31 ASP 2.648 0.093 19 0 "[ . 1 . 2]"
1 32 VAL 6.794 0.100 15 0 "[ . 1 . 2]"
1 33 PRO 0.211 0.081 16 0 "[ . 1 . 2]"
1 34 LEU 5.164 0.102 1 0 "[ . 1 . 2]"
1 35 VAL 4.469 0.091 10 0 "[ . 1 . 2]"
1 36 GLU 1.033 0.076 7 0 "[ . 1 . 2]"
1 37 LEU 6.861 0.104 14 0 "[ . 1 . 2]"
1 38 LEU 6.507 0.104 14 0 "[ . 1 . 2]"
1 39 VAL 8.685 0.103 19 0 "[ . 1 . 2]"
1 40 SER 5.283 0.098 16 0 "[ . 1 . 2]"
1 41 ALA 2.993 0.104 18 0 "[ . 1 . 2]"
1 42 GLY 7.027 0.099 4 0 "[ . 1 . 2]"
1 43 ILE 2.486 0.099 4 0 "[ . 1 . 2]"
1 44 SER 4.706 0.103 19 0 "[ . 1 . 2]"
1 45 PRO 1.349 0.083 13 0 "[ . 1 . 2]"
1 46 SER 8.521 0.092 14 0 "[ . 1 . 2]"
1 48 ARG 0.389 0.080 19 0 "[ . 1 . 2]"
1 49 GLN 3.618 0.087 4 0 "[ . 1 . 2]"
1 50 ALA 4.548 0.088 5 0 "[ . 1 . 2]"
1 51 ARG 2.523 0.088 7 0 "[ . 1 . 2]"
1 52 GLU 11.202 0.098 3 0 "[ . 1 . 2]"
1 53 ASP 5.805 0.094 19 0 "[ . 1 . 2]"
1 54 ILE 6.944 0.103 12 0 "[ . 1 . 2]"
1 55 GLN 2.839 0.083 11 0 "[ . 1 . 2]"
1 56 ASN 8.973 0.102 7 0 "[ . 1 . 2]"
1 57 GLY 3.649 0.088 5 0 "[ . 1 . 2]"
1 58 ALA 3.398 0.090 18 0 "[ . 1 . 2]"
1 59 ILE 6.020 0.107 7 0 "[ . 1 . 2]"
1 60 TYR 4.817 0.091 13 0 "[ . 1 . 2]"
1 61 VAL 3.202 0.087 18 0 "[ . 1 . 2]"
1 62 ASN 3.200 0.105 17 0 "[ . 1 . 2]"
1 63 GLY 0.849 0.094 16 0 "[ . 1 . 2]"
1 64 GLU 3.293 0.086 16 0 "[ . 1 . 2]"
1 65 ARG 3.227 0.089 11 0 "[ . 1 . 2]"
1 66 LEU 1.721 0.089 11 0 "[ . 1 . 2]"
1 67 GLN 4.350 0.102 7 0 "[ . 1 . 2]"
1 68 ASP 2.791 0.086 8 0 "[ . 1 . 2]"
1 69 VAL 4.196 0.104 1 0 "[ . 1 . 2]"
1 70 GLY 3.372 0.092 12 0 "[ . 1 . 2]"
1 71 ALA 3.034 0.091 10 0 "[ . 1 . 2]"
1 72 ILE 4.015 0.095 1 0 "[ . 1 . 2]"
1 73 LEU 10.260 0.100 15 0 "[ . 1 . 2]"
1 74 THR 2.517 0.079 1 0 "[ . 1 . 2]"
1 75 ALA 3.431 0.087 13 0 "[ . 1 . 2]"
1 76 GLU 1.191 0.080 20 0 "[ . 1 . 2]"
1 77 HIS 8.693 0.091 18 0 "[ . 1 . 2]"
1 78 ARG 4.182 0.085 3 0 "[ . 1 . 2]"
1 79 LEU 7.013 0.094 20 0 "[ . 1 . 2]"
1 80 GLU 0.326 0.076 12 0 "[ . 1 . 2]"
1 81 GLY 1.996 0.093 20 0 "[ . 1 . 2]"
1 82 ARG 1.532 0.094 20 0 "[ . 1 . 2]"
1 83 PHE 2.974 0.084 1 0 "[ . 1 . 2]"
1 84 THR 4.501 0.092 8 0 "[ . 1 . 2]"
1 85 VAL 1.657 0.093 2 0 "[ . 1 . 2]"
1 86 ILE 1.326 0.092 11 0 "[ . 1 . 2]"
1 87 ARG 4.482 0.091 13 0 "[ . 1 . 2]"
1 88 ARG 2.314 0.107 7 0 "[ . 1 . 2]"
1 89 GLY 0.801 0.090 18 0 "[ . 1 . 2]"
1 91 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 LYS 1.875 0.091 19 0 "[ . 1 . 2]"
1 93 TYR 1.764 0.097 11 0 "[ . 1 . 2]"
1 94 TYR 6.887 0.111 11 0 "[ . 1 . 2]"
1 95 LEU 3.059 0.091 11 0 "[ . 1 . 2]"
1 96 ILE 2.833 0.083 5 0 "[ . 1 . 2]"
1 97 ARG 5.832 0.101 7 0 "[ . 1 . 2]"
1 98 TYR 5.664 0.103 5 0 "[ . 1 . 2]"
1 99 ALA 3.242 0.099 3 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 6 ASP H 1 6 ASP HB2 . . 3.830 2.426 2.135 2.728 . 0 0 "[ . 1 . 2]" 1
2 1 6 ASP H 1 6 ASP HB3 . . 3.830 3.532 2.598 3.730 . 0 0 "[ . 1 . 2]" 1
3 1 6 ASP HA 1 7 ILE HA . . 4.460 4.489 4.263 4.549 0.089 5 0 "[ . 1 . 2]" 1
4 1 6 ASP HB2 1 7 ILE H . . 3.890 2.839 1.923 3.479 . 0 0 "[ . 1 . 2]" 1
5 1 6 ASP HB3 1 7 ILE H . . 3.890 2.473 1.801 3.361 . 0 0 "[ . 1 . 2]" 1
6 1 6 ASP QB 1 7 ILE H . . 3.720 2.157 1.783 2.571 . 0 0 "[ . 1 . 2]" 1
7 1 6 ASP QB 1 7 ILE MG . . 6.140 3.246 2.276 4.507 . 0 0 "[ . 1 . 2]" 1
8 1 6 ASP QB 1 8 ALA H . . 4.890 4.327 3.375 4.503 . 0 0 "[ . 1 . 2]" 1
9 1 6 ASP QB 1 79 LEU H . . 6.380 5.614 5.042 5.804 . 0 0 "[ . 1 . 2]" 1
10 1 7 ILE H 1 7 ILE HB . . 3.570 3.549 3.390 3.649 0.079 15 0 "[ . 1 . 2]" 1
11 1 7 ILE H 1 7 ILE QG . . 5.110 2.256 1.673 3.313 . 0 0 "[ . 1 . 2]" 1
12 1 7 ILE HA 1 8 ALA H . . 3.390 2.398 2.139 2.789 . 0 0 "[ . 1 . 2]" 1
13 1 7 ILE HA 1 9 ASN H . . 4.140 3.017 2.613 3.421 . 0 0 "[ . 1 . 2]" 1
14 1 7 ILE HA 1 10 LEU H . . 3.810 3.701 3.290 3.898 0.088 13 0 "[ . 1 . 2]" 1
15 1 7 ILE HB 1 8 ALA H . . 4.370 4.217 4.006 4.441 0.071 1 0 "[ . 1 . 2]" 1
16 1 7 ILE HB 1 9 ASN QD . . 6.370 5.272 4.554 5.552 . 0 0 "[ . 1 . 2]" 1
17 1 7 ILE MG 1 8 ALA H . . 5.010 4.148 3.960 4.209 . 0 0 "[ . 1 . 2]" 1
18 1 7 ILE MG 1 62 ASN HD21 . . 5.940 4.303 3.264 4.739 . 0 0 "[ . 1 . 2]" 1
19 1 7 ILE MG 1 62 ASN HD22 . . 5.940 4.295 3.077 4.946 . 0 0 "[ . 1 . 2]" 1
20 1 7 ILE MG 1 62 ASN QD . . 5.750 3.758 2.816 4.233 . 0 0 "[ . 1 . 2]" 1
21 1 7 ILE QG 1 62 ASN QB . . 7.100 4.051 2.334 5.594 . 0 0 "[ . 1 . 2]" 1
22 1 7 ILE MD 1 81 GLY H . . 6.500 4.999 4.256 5.519 . 0 0 "[ . 1 . 2]" 1
23 1 8 ALA H 1 9 ASN H . . 3.300 2.617 2.245 2.922 . 0 0 "[ . 1 . 2]" 1
24 1 8 ALA H 1 10 LEU H . . 3.920 4.000 3.869 4.024 0.104 3 0 "[ . 1 . 2]" 1
25 1 8 ALA HA 1 9 ASN H . . 3.270 3.328 3.223 3.359 0.089 19 0 "[ . 1 . 2]" 1
26 1 8 ALA HA 1 10 LEU H . . 3.760 3.674 3.239 3.863 0.103 12 0 "[ . 1 . 2]" 1
27 1 8 ALA MB 1 9 ASN QD . . 7.400 3.730 3.013 4.852 . 0 0 "[ . 1 . 2]" 1
28 1 9 ASN H 1 9 ASN HB2 . . 3.420 2.460 2.184 3.515 0.095 1 0 "[ . 1 . 2]" 1
29 1 9 ASN H 1 9 ASN HB3 . . 3.420 3.392 2.674 3.511 0.091 3 0 "[ . 1 . 2]" 1
30 1 9 ASN H 1 9 ASN QB . . 3.150 2.315 2.162 2.808 . 0 0 "[ . 1 . 2]" 1
31 1 9 ASN H 1 10 LEU H . . 2.900 2.150 1.839 2.510 . 0 0 "[ . 1 . 2]" 1
32 1 9 ASN H 1 10 LEU QB . . 5.010 4.287 3.959 4.511 . 0 0 "[ . 1 . 2]" 1
33 1 9 ASN H 1 10 LEU QD . . 7.260 3.043 2.470 3.788 . 0 0 "[ . 1 . 2]" 1
34 1 9 ASN HA 1 10 LEU H . . 3.410 3.468 3.383 3.499 0.089 11 0 "[ . 1 . 2]" 1
35 1 9 ASN HB2 1 10 LEU H . . 4.010 3.216 2.684 3.993 . 0 0 "[ . 1 . 2]" 1
36 1 9 ASN HB3 1 10 LEU H . . 4.010 3.884 3.581 4.087 0.077 12 0 "[ . 1 . 2]" 1
37 1 9 ASN QB 1 10 LEU H . . 3.790 3.055 2.614 3.553 . 0 0 "[ . 1 . 2]" 1
38 1 10 LEU H 1 10 LEU QB . . 3.710 2.680 2.078 3.371 . 0 0 "[ . 1 . 2]" 1
39 1 10 LEU H 1 10 LEU HG . . 3.680 3.763 3.736 3.780 0.100 3 0 "[ . 1 . 2]" 1
40 1 10 LEU H 1 11 THR H . . 3.950 3.567 2.977 4.051 0.101 12 0 "[ . 1 . 2]" 1
41 1 10 LEU HA 1 11 THR H . . 2.620 2.451 2.055 2.621 0.001 6 0 "[ . 1 . 2]" 1
42 1 10 LEU HA 1 85 VAL QG . . 7.100 4.895 4.458 5.091 . 0 0 "[ . 1 . 2]" 1
43 1 10 LEU QB 1 11 THR H . . 4.730 3.917 3.621 4.035 . 0 0 "[ . 1 . 2]" 1
44 1 10 LEU QB 1 15 ILE MD . . 6.940 2.466 1.907 3.404 . 0 0 "[ . 1 . 2]" 1
45 1 10 LEU QB 1 85 VAL QG . . 8.960 3.460 2.885 4.031 . 0 0 "[ . 1 . 2]" 1
46 1 10 LEU HG 1 15 ILE MD . . 4.390 2.994 2.255 3.595 . 0 0 "[ . 1 . 2]" 1
47 1 10 LEU HG 1 62 ASN HA . . 3.860 3.841 3.165 3.965 0.105 17 0 "[ . 1 . 2]" 1
48 1 10 LEU HG 1 85 VAL QG . . 6.940 3.560 2.837 4.175 . 0 0 "[ . 1 . 2]" 1
49 1 10 LEU QD 1 19 PHE QE . . 9.910 2.723 2.141 3.631 . 0 0 "[ . 1 . 2]" 1
50 1 11 THR H 1 11 THR MG . . 4.200 3.265 2.305 3.643 . 0 0 "[ . 1 . 2]" 1
51 1 11 THR H 1 12 ALA H . . 4.350 4.422 4.395 4.437 0.087 8 0 "[ . 1 . 2]" 1
52 1 11 THR H 1 14 GLU H . . 3.730 3.768 3.514 3.822 0.092 12 0 "[ . 1 . 2]" 1
53 1 11 THR H 1 14 GLU QB . . 4.150 2.025 1.770 2.216 . 0 0 "[ . 1 . 2]" 1
54 1 11 THR HA 1 11 THR HB . . 2.880 2.820 2.490 2.963 0.083 20 0 "[ . 1 . 2]" 1
55 1 11 THR HA 1 14 GLU H . . 4.490 4.530 4.410 4.575 0.085 7 0 "[ . 1 . 2]" 1
56 1 11 THR HA 1 14 GLU QB . . 4.640 3.921 3.760 4.150 . 0 0 "[ . 1 . 2]" 1
57 1 11 THR HB 1 13 ALA H . . 3.080 3.155 3.135 3.173 0.093 1 0 "[ . 1 . 2]" 1
58 1 11 THR MG 1 12 ALA H . . 4.950 2.569 1.776 3.528 . 0 0 "[ . 1 . 2]" 1
59 1 12 ALA H 1 13 ALA H . . 3.300 2.710 2.403 2.927 . 0 0 "[ . 1 . 2]" 1
60 1 12 ALA H 1 14 GLU QB . . 4.750 4.273 4.055 4.382 . 0 0 "[ . 1 . 2]" 1
61 1 12 ALA H 1 15 ILE MD . . 6.470 4.632 3.948 5.105 . 0 0 "[ . 1 . 2]" 1
62 1 12 ALA HA 1 13 ALA H . . 3.480 3.550 3.531 3.562 0.082 8 0 "[ . 1 . 2]" 1
63 1 12 ALA HA 1 15 ILE H . . 3.300 3.315 3.083 3.385 0.085 6 0 "[ . 1 . 2]" 1
64 1 12 ALA HA 1 15 ILE HB . . 3.240 2.588 2.155 3.009 . 0 0 "[ . 1 . 2]" 1
65 1 12 ALA HA 1 15 ILE MG . . 6.000 3.788 3.265 4.136 . 0 0 "[ . 1 . 2]" 1
66 1 12 ALA HA 1 15 ILE MD . . 4.730 3.305 2.607 3.810 . 0 0 "[ . 1 . 2]" 1
67 1 12 ALA HA 1 16 GLU H . . 3.640 3.725 3.711 3.735 0.095 18 0 "[ . 1 . 2]" 1
68 1 12 ALA HA 1 82 ARG QB . . 5.690 4.078 3.431 5.192 . 0 0 "[ . 1 . 2]" 1
69 1 12 ALA HA 1 83 PHE QD . . 7.470 2.856 2.311 4.183 . 0 0 "[ . 1 . 2]" 1
70 1 12 ALA HA 1 83 PHE QE . . 6.970 3.328 2.618 4.272 . 0 0 "[ . 1 . 2]" 1
71 1 12 ALA HA 1 83 PHE HZ . . 5.130 5.142 4.339 5.214 0.084 1 0 "[ . 1 . 2]" 1
72 1 12 ALA MB 1 13 ALA H . . 4.170 2.504 2.273 2.679 . 0 0 "[ . 1 . 2]" 1
73 1 12 ALA MB 1 83 PHE QD . . 7.810 2.990 2.261 4.236 . 0 0 "[ . 1 . 2]" 1
74 1 12 ALA MB 1 83 PHE QE . . 7.100 2.271 1.992 2.966 . 0 0 "[ . 1 . 2]" 1
75 1 13 ALA H 1 13 ALA MB . . 3.610 2.290 2.232 2.407 . 0 0 "[ . 1 . 2]" 1
76 1 13 ALA H 1 14 GLU H . . 3.020 2.520 2.299 2.721 . 0 0 "[ . 1 . 2]" 1
77 1 13 ALA H 1 14 GLU QB . . 4.770 4.043 3.758 4.350 . 0 0 "[ . 1 . 2]" 1
78 1 13 ALA HA 1 14 GLU H . . 3.610 3.529 3.453 3.640 0.030 12 0 "[ . 1 . 2]" 1
79 1 13 ALA HA 1 16 GLU H . . 3.640 3.480 3.117 3.701 0.061 14 0 "[ . 1 . 2]" 1
80 1 13 ALA HA 1 16 GLU QB . . 4.670 2.632 2.165 3.102 . 0 0 "[ . 1 . 2]" 1
81 1 13 ALA MB 1 14 GLU H . . 4.230 2.917 2.637 3.185 . 0 0 "[ . 1 . 2]" 1
82 1 13 ALA MB 1 15 ILE H . . 5.850 4.655 4.346 4.848 . 0 0 "[ . 1 . 2]" 1
83 1 14 GLU H 1 14 GLU QB . . 3.440 2.045 1.839 2.173 . 0 0 "[ . 1 . 2]" 1
84 1 14 GLU H 1 14 GLU QG . . 5.070 3.917 3.689 4.029 . 0 0 "[ . 1 . 2]" 1
85 1 14 GLU H 1 15 ILE H . . 2.990 2.382 2.337 2.431 . 0 0 "[ . 1 . 2]" 1
86 1 14 GLU H 1 15 ILE HA . . 4.960 5.031 5.014 5.038 0.078 16 0 "[ . 1 . 2]" 1
87 1 14 GLU H 1 15 ILE HB . . 4.250 4.262 4.095 4.320 0.070 14 0 "[ . 1 . 2]" 1
88 1 14 GLU H 1 15 ILE QG . . 6.380 4.486 4.246 4.763 . 0 0 "[ . 1 . 2]" 1
89 1 14 GLU HA 1 14 GLU QG . . 3.910 2.523 2.178 3.001 . 0 0 "[ . 1 . 2]" 1
90 1 14 GLU HA 1 17 GLN H . . 3.700 3.676 3.431 3.787 0.087 4 0 "[ . 1 . 2]" 1
91 1 14 GLU HA 1 17 GLN QB . . 4.610 3.304 2.935 3.739 . 0 0 "[ . 1 . 2]" 1
92 1 14 GLU HA 1 17 GLN QG . . 5.380 4.579 3.847 4.925 . 0 0 "[ . 1 . 2]" 1
93 1 14 GLU QB 1 15 ILE H . . 4.360 2.656 2.508 2.943 . 0 0 "[ . 1 . 2]" 1
94 1 14 GLU QG 1 15 ILE H . . 5.970 4.233 3.725 4.674 . 0 0 "[ . 1 . 2]" 1
95 1 15 ILE H 1 15 ILE HB . . 2.650 2.177 2.064 2.273 . 0 0 "[ . 1 . 2]" 1
96 1 15 ILE H 1 15 ILE MD . . 4.420 3.647 3.406 3.735 . 0 0 "[ . 1 . 2]" 1
97 1 15 ILE H 1 16 GLU H . . 3.100 2.666 2.530 2.839 . 0 0 "[ . 1 . 2]" 1
98 1 15 ILE HA 1 15 ILE MD . . 4.420 3.787 3.723 3.825 . 0 0 "[ . 1 . 2]" 1
99 1 15 ILE HA 1 18 GLY H . . 3.550 3.362 3.224 3.447 . 0 0 "[ . 1 . 2]" 1
100 1 15 ILE HA 1 19 PHE H . . 3.610 3.687 3.664 3.698 0.088 13 0 "[ . 1 . 2]" 1
101 1 15 ILE HA 1 19 PHE QD . . 6.040 2.275 2.049 3.417 . 0 0 "[ . 1 . 2]" 1
102 1 15 ILE HA 1 19 PHE QE . . 7.620 2.719 2.260 3.420 . 0 0 "[ . 1 . 2]" 1
103 1 15 ILE HB 1 16 GLU H . . 2.960 2.717 2.539 2.857 . 0 0 "[ . 1 . 2]" 1
104 1 15 ILE HB 1 79 LEU QD . . 6.800 4.646 3.795 4.932 . 0 0 "[ . 1 . 2]" 1
105 1 15 ILE HB 1 83 PHE QD . . 6.940 3.649 2.402 4.541 . 0 0 "[ . 1 . 2]" 1
106 1 15 ILE HB 1 83 PHE QE . . 6.910 4.652 3.615 5.506 . 0 0 "[ . 1 . 2]" 1
107 1 15 ILE MG 1 16 GLU H . . 5.230 2.832 2.621 3.119 . 0 0 "[ . 1 . 2]" 1
108 1 15 ILE MG 1 19 PHE QD . . 7.560 2.359 2.105 3.139 . 0 0 "[ . 1 . 2]" 1
109 1 15 ILE MG 1 19 PHE QE . . 8.650 3.691 2.084 4.355 . 0 0 "[ . 1 . 2]" 1
110 1 15 ILE MG 1 83 PHE QB . . 6.790 2.356 2.085 2.805 . 0 0 "[ . 1 . 2]" 1
111 1 15 ILE MG 1 83 PHE QD . . 7.440 2.939 2.136 3.516 . 0 0 "[ . 1 . 2]" 1
112 1 15 ILE MG 1 83 PHE QE . . 8.650 3.996 3.041 4.710 . 0 0 "[ . 1 . 2]" 1
113 1 15 ILE MG 1 95 LEU QD . . 8.070 1.846 1.707 2.091 . 0 0 "[ . 1 . 2]" 1
114 1 15 ILE QG 1 18 GLY QA . . 6.080 4.630 4.601 4.646 . 0 0 "[ . 1 . 2]" 1
115 1 15 ILE QG 1 19 PHE QE . . 8.500 2.545 2.033 3.538 . 0 0 "[ . 1 . 2]" 1
116 1 15 ILE MD 1 16 GLU H . . 5.780 4.700 4.579 4.830 . 0 0 "[ . 1 . 2]" 1
117 1 15 ILE MD 1 19 PHE QE . . 8.650 4.100 2.737 4.959 . 0 0 "[ . 1 . 2]" 1
118 1 15 ILE MD 1 83 PHE QB . . 7.410 2.495 2.056 3.117 . 0 0 "[ . 1 . 2]" 1
119 1 15 ILE MD 1 83 PHE QD . . 6.910 3.519 2.907 4.074 . 0 0 "[ . 1 . 2]" 1
120 1 16 GLU H 1 16 GLU QB . . 3.830 2.353 2.010 2.624 . 0 0 "[ . 1 . 2]" 1
121 1 16 GLU H 1 17 GLN H . . 3.110 3.052 2.908 3.170 0.060 18 0 "[ . 1 . 2]" 1
122 1 16 GLU HA 1 16 GLU HG2 . . 4.010 2.479 2.289 2.823 . 0 0 "[ . 1 . 2]" 1
123 1 16 GLU HA 1 16 GLU HG3 . . 4.010 3.484 3.008 3.820 . 0 0 "[ . 1 . 2]" 1
124 1 16 GLU HA 1 16 GLU QG . . 3.790 2.427 2.242 2.753 . 0 0 "[ . 1 . 2]" 1
125 1 16 GLU HA 1 17 GLN H . . 3.630 3.661 3.588 3.688 0.058 5 0 "[ . 1 . 2]" 1
126 1 16 GLU HA 1 19 PHE H . . 3.700 3.728 3.594 3.782 0.082 17 0 "[ . 1 . 2]" 1
127 1 16 GLU HA 1 83 PHE QE . . 7.620 4.977 4.443 5.405 . 0 0 "[ . 1 . 2]" 1
128 1 16 GLU QB 1 19 PHE H . . 5.380 4.929 4.913 4.942 . 0 0 "[ . 1 . 2]" 1
129 1 16 GLU QB 1 83 PHE QE . . 8.500 4.515 3.146 5.484 . 0 0 "[ . 1 . 2]" 1
130 1 16 GLU QB 1 83 PHE HZ . . 6.380 4.975 4.236 5.533 . 0 0 "[ . 1 . 2]" 1
131 1 16 GLU HG2 1 83 PHE HZ . . 5.040 3.700 2.623 4.444 . 0 0 "[ . 1 . 2]" 1
132 1 16 GLU HG3 1 83 PHE HZ . . 5.040 3.532 2.658 4.845 . 0 0 "[ . 1 . 2]" 1
133 1 16 GLU QG 1 95 LEU QD . . 6.870 2.699 2.169 3.815 . 0 0 "[ . 1 . 2]" 1
134 1 17 GLN H 1 17 GLN QB . . 3.620 2.285 2.113 2.648 . 0 0 "[ . 1 . 2]" 1
135 1 17 GLN H 1 18 GLY H . . 2.740 2.347 2.280 2.400 . 0 0 "[ . 1 . 2]" 1
136 1 17 GLN H 1 18 GLY HA2 . . 4.850 4.930 4.920 4.934 0.084 3 0 "[ . 1 . 2]" 1
137 1 17 GLN H 1 18 GLY HA3 . . 4.850 4.558 4.495 4.596 . 0 0 "[ . 1 . 2]" 1
138 1 17 GLN H 1 18 GLY QA . . 4.620 4.204 4.165 4.226 . 0 0 "[ . 1 . 2]" 1
139 1 17 GLN H 1 19 PHE H . . 4.230 4.054 3.876 4.198 . 0 0 "[ . 1 . 2]" 1
140 1 17 GLN HA 1 18 GLY H . . 3.580 3.521 3.443 3.590 0.010 19 0 "[ . 1 . 2]" 1
141 1 17 GLN QB 1 18 GLY H . . 4.270 2.943 2.681 3.313 . 0 0 "[ . 1 . 2]" 1
142 1 17 GLN QB 1 20 LYS QB . . 5.390 4.180 4.023 4.350 . 0 0 "[ . 1 . 2]" 1
143 1 17 GLN QG 1 18 GLY H . . 6.380 4.164 3.889 4.437 . 0 0 "[ . 1 . 2]" 1
144 1 18 GLY H 1 18 GLY HA2 . . 2.930 2.805 2.769 2.853 . 0 0 "[ . 1 . 2]" 1
145 1 18 GLY H 1 18 GLY HA3 . . 2.930 2.231 2.215 2.259 . 0 0 "[ . 1 . 2]" 1
146 1 18 GLY H 1 19 PHE H . . 3.050 2.507 2.388 2.553 . 0 0 "[ . 1 . 2]" 1
147 1 18 GLY H 1 19 PHE QB . . 5.300 4.557 4.491 4.585 . 0 0 "[ . 1 . 2]" 1
148 1 18 GLY H 1 20 LYS H . . 3.860 3.926 3.895 3.945 0.085 7 0 "[ . 1 . 2]" 1
149 1 18 GLY QA 1 20 LYS H . . 4.990 4.020 3.776 4.205 . 0 0 "[ . 1 . 2]" 1
150 1 18 GLY QA 1 85 VAL QG . . 8.010 4.667 4.413 5.049 . 0 0 "[ . 1 . 2]" 1
151 1 19 PHE H 1 19 PHE HB2 . . 3.600 2.475 2.343 2.519 . 0 0 "[ . 1 . 2]" 1
152 1 19 PHE H 1 19 PHE HB3 . . 3.600 3.657 3.586 3.683 0.083 17 0 "[ . 1 . 2]" 1
153 1 19 PHE H 1 19 PHE QB . . 3.210 2.437 2.315 2.478 . 0 0 "[ . 1 . 2]" 1
154 1 19 PHE H 1 20 LYS H . . 2.900 2.329 2.224 2.560 . 0 0 "[ . 1 . 2]" 1
155 1 19 PHE H 1 20 LYS QG . . 6.380 5.020 4.245 5.781 . 0 0 "[ . 1 . 2]" 1
156 1 19 PHE H 1 95 LEU QD . . 7.630 3.964 3.234 4.696 . 0 0 "[ . 1 . 2]" 1
157 1 19 PHE HA 1 20 LYS H . . 3.240 3.164 3.019 3.303 0.063 18 0 "[ . 1 . 2]" 1
158 1 19 PHE HA 1 22 VAL QG . . 6.200 3.517 2.583 4.130 . 0 0 "[ . 1 . 2]" 1
159 1 19 PHE HB2 1 22 VAL QG . . 7.100 4.469 4.040 4.856 . 0 0 "[ . 1 . 2]" 1
160 1 19 PHE HB2 1 95 LEU MD1 . . 6.160 3.405 2.137 4.010 . 0 0 "[ . 1 . 2]" 1
161 1 19 PHE HB2 1 95 LEU MD2 . . 6.160 3.438 2.300 4.566 . 0 0 "[ . 1 . 2]" 1
162 1 19 PHE HB3 1 22 VAL QG . . 7.100 3.148 2.658 3.579 . 0 0 "[ . 1 . 2]" 1
163 1 19 PHE HB3 1 95 LEU MD1 . . 6.160 4.188 2.958 4.797 . 0 0 "[ . 1 . 2]" 1
164 1 19 PHE HB3 1 95 LEU MD2 . . 6.160 4.379 3.062 5.260 . 0 0 "[ . 1 . 2]" 1
165 1 19 PHE QB 1 22 VAL QG . . 6.830 3.087 2.623 3.492 . 0 0 "[ . 1 . 2]" 1
166 1 19 PHE QB 1 95 LEU QD . . 5.680 2.683 2.098 3.498 . 0 0 "[ . 1 . 2]" 1
167 1 19 PHE QD 1 22 VAL QG . . 8.690 3.753 2.868 4.356 . 0 0 "[ . 1 . 2]" 1
168 1 19 PHE QD 1 85 VAL QG . . 10.210 2.543 2.139 3.456 . 0 0 "[ . 1 . 2]" 1
169 1 19 PHE QE 1 22 VAL QG . . 9.740 5.381 4.527 5.955 . 0 0 "[ . 1 . 2]" 1
170 1 19 PHE QE 1 85 VAL QG . . 9.160 2.280 2.017 2.571 . 0 0 "[ . 1 . 2]" 1
171 1 19 PHE QE 1 93 TYR QD . . 9.760 2.968 2.136 4.451 . 0 0 "[ . 1 . 2]" 1
172 1 19 PHE QE 1 93 TYR QE . . 9.750 3.937 3.296 4.915 . 0 0 "[ . 1 . 2]" 1
173 1 19 PHE HZ 1 85 VAL QG . . 6.480 2.819 2.044 3.518 . 0 0 "[ . 1 . 2]" 1
174 1 20 LYS H 1 20 LYS QG . . 5.070 3.291 2.353 3.961 . 0 0 "[ . 1 . 2]" 1
175 1 20 LYS H 1 21 ASP H . . 3.420 3.003 2.678 3.204 . 0 0 "[ . 1 . 2]" 1
176 1 20 LYS HA 1 21 ASP H . . 3.170 3.216 3.020 3.265 0.095 15 0 "[ . 1 . 2]" 1
177 1 20 LYS HA 1 22 VAL H . . 3.730 3.641 3.130 3.806 0.076 9 0 "[ . 1 . 2]" 1
178 1 20 LYS QB 1 21 ASP H . . 4.700 3.546 3.027 3.818 . 0 0 "[ . 1 . 2]" 1
179 1 20 LYS QG 1 21 ASP H . . 6.190 4.070 2.717 4.705 . 0 0 "[ . 1 . 2]" 1
180 1 21 ASP H 1 21 ASP HB2 . . 3.420 2.700 2.090 3.520 0.100 9 0 "[ . 1 . 2]" 1
181 1 21 ASP H 1 21 ASP HB3 . . 3.420 2.575 2.160 3.507 0.087 7 0 "[ . 1 . 2]" 1
182 1 21 ASP H 1 21 ASP QB . . 3.230 2.244 2.070 2.502 . 0 0 "[ . 1 . 2]" 1
183 1 21 ASP H 1 22 VAL H . . 2.930 2.435 2.111 2.691 . 0 0 "[ . 1 . 2]" 1
184 1 21 ASP H 1 22 VAL QG . . 7.370 3.499 3.150 4.372 . 0 0 "[ . 1 . 2]" 1
185 1 22 VAL H 1 22 VAL HB . . 3.110 3.106 2.784 3.205 0.095 2 0 "[ . 1 . 2]" 1
186 1 22 VAL H 1 23 PRO QD . . 5.940 4.412 4.342 4.509 . 0 0 "[ . 1 . 2]" 1
187 1 22 VAL H 1 93 TYR QB . . 6.190 5.348 5.188 5.582 . 0 0 "[ . 1 . 2]" 1
188 1 22 VAL HB 1 23 PRO HD2 . . 4.140 3.012 2.282 4.065 . 0 0 "[ . 1 . 2]" 1
189 1 22 VAL HB 1 23 PRO HD3 . . 4.140 3.924 3.526 4.225 0.085 8 0 "[ . 1 . 2]" 1
190 1 22 VAL HB 1 23 PRO QD . . 3.940 2.878 2.255 3.670 . 0 0 "[ . 1 . 2]" 1
191 1 22 VAL HB 1 92 LYS QB . . 4.920 4.056 3.490 4.458 . 0 0 "[ . 1 . 2]" 1
192 1 22 VAL HB 1 94 TYR QD . . 7.640 4.129 2.905 6.173 . 0 0 "[ . 1 . 2]" 1
193 1 22 VAL HB 1 94 TYR QE . . 7.630 4.869 3.461 6.618 . 0 0 "[ . 1 . 2]" 1
194 1 22 VAL QG 1 23 PRO HD2 . . 6.850 1.997 1.815 2.155 . 0 0 "[ . 1 . 2]" 1
195 1 22 VAL QG 1 23 PRO HD3 . . 6.850 2.569 2.121 3.232 . 0 0 "[ . 1 . 2]" 1
196 1 22 VAL QG 1 23 PRO QD . . 6.710 1.920 1.718 2.122 . 0 0 "[ . 1 . 2]" 1
197 1 22 VAL QG 1 92 LYS H . . 7.620 4.115 3.417 5.218 . 0 0 "[ . 1 . 2]" 1
198 1 22 VAL QG 1 93 TYR H . . 7.280 2.443 1.810 3.571 . 0 0 "[ . 1 . 2]" 1
199 1 22 VAL QG 1 93 TYR HA . . 7.620 3.934 3.614 4.574 . 0 0 "[ . 1 . 2]" 1
200 1 22 VAL QG 1 93 TYR HB2 . . 6.910 3.127 2.320 3.917 . 0 0 "[ . 1 . 2]" 1
201 1 22 VAL QG 1 93 TYR HB3 . . 6.910 4.006 2.228 4.656 . 0 0 "[ . 1 . 2]" 1
202 1 22 VAL QG 1 93 TYR QD . . 9.760 3.444 1.939 5.133 . 0 0 "[ . 1 . 2]" 1
203 1 22 VAL QG 1 94 TYR H . . 7.560 3.664 3.313 4.017 . 0 0 "[ . 1 . 2]" 1
204 1 22 VAL QG 1 94 TYR HA . . 7.000 2.613 1.951 3.182 . 0 0 "[ . 1 . 2]" 1
205 1 22 VAL QG 1 95 LEU HA . . 7.620 5.473 5.102 5.781 . 0 0 "[ . 1 . 2]" 1
206 1 22 VAL QG 1 95 LEU QB . . 7.910 4.117 3.609 4.686 . 0 0 "[ . 1 . 2]" 1
207 1 23 PRO HA 1 24 SER H . . 2.800 2.469 2.300 2.669 . 0 0 "[ . 1 . 2]" 1
208 1 23 PRO QB 1 24 SER H . . 4.490 2.268 2.183 2.370 . 0 0 "[ . 1 . 2]" 1
209 1 23 PRO QB 1 94 TYR QD . . 8.520 4.896 4.115 6.286 . 0 0 "[ . 1 . 2]" 1
210 1 23 PRO HG2 1 24 SER H . . 4.730 3.954 3.878 4.020 . 0 0 "[ . 1 . 2]" 1
211 1 23 PRO HG2 1 94 TYR QD . . 7.640 3.253 2.236 4.837 . 0 0 "[ . 1 . 2]" 1
212 1 23 PRO HG3 1 24 SER H . . 4.730 4.797 4.766 4.819 0.089 12 0 "[ . 1 . 2]" 1
213 1 23 PRO HG3 1 94 TYR QD . . 7.640 4.655 3.322 6.447 . 0 0 "[ . 1 . 2]" 1
214 1 23 PRO QG 1 24 SER H . . 4.250 3.778 3.718 3.819 . 0 0 "[ . 1 . 2]" 1
215 1 23 PRO QG 1 94 TYR QD . . 7.270 3.185 2.203 4.704 . 0 0 "[ . 1 . 2]" 1
216 1 23 PRO QG 1 94 TYR QE . . 8.510 3.407 2.341 6.293 . 0 0 "[ . 1 . 2]" 1
217 1 23 PRO QD 1 94 TYR QE . . 8.260 3.284 2.335 5.330 . 0 0 "[ . 1 . 2]" 1
218 1 24 SER HA 1 25 PHE H . . 2.620 2.542 2.294 2.656 0.036 8 0 "[ . 1 . 2]" 1
219 1 24 SER HA 1 94 TYR HA . . 4.450 4.523 4.481 4.547 0.097 12 0 "[ . 1 . 2]" 1
220 1 24 SER HA 1 95 LEU H . . 3.210 2.629 2.448 2.835 . 0 0 "[ . 1 . 2]" 1
221 1 24 SER HA 1 95 LEU HB2 . . 4.970 3.864 2.905 4.258 . 0 0 "[ . 1 . 2]" 1
222 1 24 SER HA 1 95 LEU HB3 . . 4.970 2.348 2.108 2.616 . 0 0 "[ . 1 . 2]" 1
223 1 24 SER HA 1 95 LEU QB . . 4.640 2.325 2.097 2.593 . 0 0 "[ . 1 . 2]" 1
224 1 24 SER HA 1 95 LEU QD . . 7.540 3.698 3.310 4.043 . 0 0 "[ . 1 . 2]" 1
225 1 24 SER HA 1 96 ILE HA . . 4.460 4.494 4.318 4.538 0.078 11 0 "[ . 1 . 2]" 1
226 1 24 SER QB 1 25 PHE H . . 4.140 2.489 2.222 3.018 . 0 0 "[ . 1 . 2]" 1
227 1 24 SER QB 1 95 LEU H . . 6.160 3.943 3.601 4.296 . 0 0 "[ . 1 . 2]" 1
228 1 25 PHE H 1 25 PHE HB2 . . 3.170 3.213 3.002 3.245 0.075 16 0 "[ . 1 . 2]" 1
229 1 25 PHE H 1 25 PHE HB3 . . 3.170 2.513 2.280 2.813 . 0 0 "[ . 1 . 2]" 1
230 1 25 PHE H 1 26 VAL H . . 4.500 4.373 4.259 4.502 0.002 12 0 "[ . 1 . 2]" 1
231 1 25 PHE H 1 41 ALA MB . . 4.770 3.885 3.842 3.906 . 0 0 "[ . 1 . 2]" 1
232 1 25 PHE H 1 95 LEU HB2 . . 5.500 5.484 4.767 5.583 0.083 18 0 "[ . 1 . 2]" 1
233 1 25 PHE H 1 95 LEU HB3 . . 5.500 3.976 3.455 4.111 . 0 0 "[ . 1 . 2]" 1
234 1 25 PHE H 1 96 ILE HA . . 3.140 2.662 2.408 2.953 . 0 0 "[ . 1 . 2]" 1
235 1 25 PHE H 1 97 ARG H . . 3.390 3.470 3.450 3.485 0.095 4 0 "[ . 1 . 2]" 1
236 1 25 PHE HA 1 26 VAL H . . 2.590 2.366 2.244 2.484 . 0 0 "[ . 1 . 2]" 1
237 1 25 PHE HA 1 41 ALA MB . . 5.630 4.275 4.109 4.530 . 0 0 "[ . 1 . 2]" 1
238 1 25 PHE HB2 1 26 VAL H . . 3.830 3.866 3.773 3.913 0.083 13 0 "[ . 1 . 2]" 1
239 1 25 PHE HB2 1 41 ALA MB . . 4.730 2.350 2.166 2.699 . 0 0 "[ . 1 . 2]" 1
240 1 25 PHE HB3 1 26 VAL H . . 3.830 3.843 3.612 3.903 0.073 5 0 "[ . 1 . 2]" 1
241 1 25 PHE HB3 1 41 ALA MB . . 4.730 2.152 2.084 2.356 . 0 0 "[ . 1 . 2]" 1
242 1 25 PHE QB 1 26 VAL H . . 3.700 3.432 3.333 3.460 . 0 0 "[ . 1 . 2]" 1
243 1 25 PHE QB 1 41 ALA HA . . 3.810 2.257 1.998 2.462 . 0 0 "[ . 1 . 2]" 1
244 1 25 PHE QB 1 96 ILE HA . . 6.070 2.926 2.616 3.206 . 0 0 "[ . 1 . 2]" 1
245 1 25 PHE QD 1 26 VAL H . . 6.970 2.920 2.463 3.171 . 0 0 "[ . 1 . 2]" 1
246 1 25 PHE QD 1 26 VAL QG . . 10.210 4.231 3.968 4.442 . 0 0 "[ . 1 . 2]" 1
247 1 25 PHE QD 1 27 HIS HA . . 7.620 5.239 4.156 5.501 . 0 0 "[ . 1 . 2]" 1
248 1 25 PHE QD 1 27 HIS QB . . 8.500 4.135 3.270 4.485 . 0 0 "[ . 1 . 2]" 1
249 1 25 PHE QD 1 37 LEU QD . . 9.230 4.188 3.595 5.284 . 0 0 "[ . 1 . 2]" 1
250 1 25 PHE QD 1 41 ALA HA . . 6.350 2.811 2.560 3.288 . 0 0 "[ . 1 . 2]" 1
251 1 25 PHE QD 1 41 ALA MB . . 6.540 2.562 2.317 3.168 . 0 0 "[ . 1 . 2]" 1
252 1 25 PHE QD 1 96 ILE HA . . 7.620 3.588 3.029 4.421 . 0 0 "[ . 1 . 2]" 1
253 1 25 PHE QD 1 97 ARG H . . 7.620 3.932 3.257 4.590 . 0 0 "[ . 1 . 2]" 1
254 1 25 PHE QE 1 26 VAL H . . 7.620 3.816 3.575 4.192 . 0 0 "[ . 1 . 2]" 1
255 1 25 PHE QE 1 27 HIS H . . 7.620 4.001 3.617 4.589 . 0 0 "[ . 1 . 2]" 1
256 1 25 PHE QE 1 27 HIS HA . . 6.410 4.057 2.959 4.540 . 0 0 "[ . 1 . 2]" 1
257 1 25 PHE QE 1 27 HIS QB . . 8.350 2.419 2.173 2.879 . 0 0 "[ . 1 . 2]" 1
258 1 25 PHE QE 1 28 GLU H . . 7.620 5.505 4.848 5.873 . 0 0 "[ . 1 . 2]" 1
259 1 25 PHE QE 1 40 SER HA . . 7.620 4.497 4.214 4.952 . 0 0 "[ . 1 . 2]" 1
260 1 25 PHE QE 1 40 SER HB2 . . 7.620 4.072 3.448 4.702 . 0 0 "[ . 1 . 2]" 1
261 1 25 PHE QE 1 40 SER HB3 . . 7.620 3.000 2.584 3.622 . 0 0 "[ . 1 . 2]" 1
262 1 25 PHE QE 1 40 SER QB . . 7.400 2.922 2.554 3.509 . 0 0 "[ . 1 . 2]" 1
263 1 25 PHE QE 1 41 ALA HA . . 7.310 4.028 3.774 4.378 . 0 0 "[ . 1 . 2]" 1
264 1 25 PHE QE 1 41 ALA MB . . 7.440 3.900 3.685 4.459 . 0 0 "[ . 1 . 2]" 1
265 1 25 PHE QE 1 42 GLY QA . . 8.500 6.585 6.073 7.007 . 0 0 "[ . 1 . 2]" 1
266 1 26 VAL H 1 26 VAL HB . . 3.000 3.032 2.585 3.090 0.090 7 0 "[ . 1 . 2]" 1
267 1 26 VAL H 1 26 VAL QG . . 4.250 2.517 2.306 3.083 . 0 0 "[ . 1 . 2]" 1
268 1 26 VAL H 1 27 HIS H . . 4.110 4.183 4.162 4.194 0.084 20 0 "[ . 1 . 2]" 1
269 1 26 VAL HA 1 27 HIS H . . 2.620 2.290 2.201 2.397 . 0 0 "[ . 1 . 2]" 1
270 1 26 VAL HA 1 97 ARG H . . 3.330 2.781 2.606 2.989 . 0 0 "[ . 1 . 2]" 1
271 1 26 VAL HA 1 97 ARG HB2 . . 5.380 4.288 3.966 4.556 . 0 0 "[ . 1 . 2]" 1
272 1 26 VAL HA 1 97 ARG HB3 . . 5.380 4.315 3.086 5.188 . 0 0 "[ . 1 . 2]" 1
273 1 26 VAL HA 1 97 ARG QB . . 5.100 3.694 3.020 4.247 . 0 0 "[ . 1 . 2]" 1
274 1 26 VAL HB 1 27 HIS H . . 4.500 4.452 4.232 4.563 0.063 17 0 "[ . 1 . 2]" 1
275 1 26 VAL MG1 1 27 HIS H . . 4.790 3.807 2.656 4.004 . 0 0 "[ . 1 . 2]" 1
276 1 26 VAL MG1 1 99 ALA H . . 6.120 4.349 2.520 5.040 . 0 0 "[ . 1 . 2]" 1
277 1 26 VAL MG2 1 27 HIS H . . 4.790 3.073 2.730 4.009 . 0 0 "[ . 1 . 2]" 1
278 1 26 VAL MG2 1 99 ALA H . . 6.120 3.065 2.561 4.915 . 0 0 "[ . 1 . 2]" 1
279 1 26 VAL QG 1 27 HIS H . . 4.430 2.828 2.620 2.996 . 0 0 "[ . 1 . 2]" 1
280 1 26 VAL QG 1 28 GLU H . . 8.090 4.616 3.833 5.047 . 0 0 "[ . 1 . 2]" 1
281 1 26 VAL QG 1 97 ARG HA . . 7.500 4.330 4.015 4.708 . 0 0 "[ . 1 . 2]" 1
282 1 26 VAL QG 1 97 ARG QB . . 6.830 2.641 2.039 3.346 . 0 0 "[ . 1 . 2]" 1
283 1 26 VAL QG 1 98 TYR H . . 7.440 3.359 2.991 3.915 . 0 0 "[ . 1 . 2]" 1
284 1 26 VAL QG 1 98 TYR HA . . 7.410 2.591 2.395 3.062 . 0 0 "[ . 1 . 2]" 1
285 1 26 VAL QG 1 98 TYR QD . . 10.230 4.441 4.212 4.673 . 0 0 "[ . 1 . 2]" 1
286 1 26 VAL QG 1 99 ALA H . . 5.240 2.736 2.504 3.186 . 0 0 "[ . 1 . 2]" 1
287 1 26 VAL QG 1 99 ALA HA . . 6.910 2.838 2.155 3.680 . 0 0 "[ . 1 . 2]" 1
288 1 27 HIS H 1 27 HIS HB2 . . 3.780 3.786 3.686 3.847 0.067 5 0 "[ . 1 . 2]" 1
289 1 27 HIS H 1 27 HIS HB3 . . 3.780 3.252 3.141 3.373 . 0 0 "[ . 1 . 2]" 1
290 1 27 HIS H 1 27 HIS QB . . 3.350 3.072 3.004 3.126 . 0 0 "[ . 1 . 2]" 1
291 1 27 HIS H 1 27 HIS HD2 . . 4.720 2.007 1.700 2.742 . 0 0 "[ . 1 . 2]" 1
292 1 27 HIS H 1 27 HIS HE1 . . 5.340 5.432 5.401 5.447 0.107 6 0 "[ . 1 . 2]" 1
293 1 27 HIS H 1 28 GLU H . . 4.260 4.348 4.333 4.356 0.096 2 0 "[ . 1 . 2]" 1
294 1 27 HIS H 1 29 GLY H . . 4.290 4.201 4.000 4.377 0.087 20 0 "[ . 1 . 2]" 1
295 1 27 HIS H 1 97 ARG H . . 4.420 4.217 4.124 4.479 0.059 5 0 "[ . 1 . 2]" 1
296 1 27 HIS H 1 97 ARG QB . . 6.290 4.875 4.460 5.180 . 0 0 "[ . 1 . 2]" 1
297 1 27 HIS H 1 97 ARG QG . . 6.550 4.897 4.148 5.794 . 0 0 "[ . 1 . 2]" 1
298 1 27 HIS H 1 98 TYR H . . 4.630 4.567 4.413 4.706 0.076 7 0 "[ . 1 . 2]" 1
299 1 27 HIS H 1 98 TYR HA . . 3.390 2.264 2.048 2.501 . 0 0 "[ . 1 . 2]" 1
300 1 27 HIS H 1 99 ALA H . . 3.830 3.883 3.746 3.916 0.086 17 0 "[ . 1 . 2]" 1
301 1 27 HIS HA 1 27 HIS HD2 . . 5.130 4.007 3.929 4.247 . 0 0 "[ . 1 . 2]" 1
302 1 27 HIS HA 1 28 GLU H . . 2.740 2.450 2.038 2.720 . 0 0 "[ . 1 . 2]" 1
303 1 27 HIS HB2 1 27 HIS HD2 . . 3.980 3.615 3.152 3.811 . 0 0 "[ . 1 . 2]" 1
304 1 27 HIS HB2 1 28 GLU H . . 4.010 2.136 1.822 2.958 . 0 0 "[ . 1 . 2]" 1
305 1 27 HIS HB3 1 27 HIS HD2 . . 3.980 3.756 3.627 3.918 . 0 0 "[ . 1 . 2]" 1
306 1 27 HIS HB3 1 28 GLU H . . 4.010 3.471 3.301 3.810 . 0 0 "[ . 1 . 2]" 1
307 1 27 HIS QB 1 28 GLU H . . 3.820 2.112 1.815 2.862 . 0 0 "[ . 1 . 2]" 1
308 1 27 HIS QB 1 37 LEU QB . . 7.190 4.682 4.185 5.194 . 0 0 "[ . 1 . 2]" 1
309 1 27 HIS QB 1 99 ALA H . . 6.380 5.225 5.008 5.336 . 0 0 "[ . 1 . 2]" 1
310 1 27 HIS HD2 1 29 GLY H . . 4.660 3.059 2.198 3.785 . 0 0 "[ . 1 . 2]" 1
311 1 27 HIS HD2 1 99 ALA H . . 4.010 3.878 3.642 4.071 0.061 6 0 "[ . 1 . 2]" 1
312 1 27 HIS HE1 1 32 VAL HA . . 5.040 5.118 5.106 5.128 0.088 13 0 "[ . 1 . 2]" 1
313 1 27 HIS HE1 1 32 VAL HB . . 2.900 2.286 2.148 2.605 . 0 0 "[ . 1 . 2]" 1
314 1 27 HIS HE1 1 32 VAL MG1 . . 4.170 2.466 1.974 2.890 . 0 0 "[ . 1 . 2]" 1
315 1 27 HIS HE1 1 32 VAL MG2 . . 4.170 3.194 2.761 3.476 . 0 0 "[ . 1 . 2]" 1
316 1 27 HIS HE1 1 32 VAL QG . . 3.660 2.357 1.962 2.640 . 0 0 "[ . 1 . 2]" 1
317 1 27 HIS HE1 1 37 LEU HA . . 4.480 4.501 3.952 4.558 0.078 6 0 "[ . 1 . 2]" 1
318 1 27 HIS HE1 1 37 LEU MD1 . . 6.470 4.709 4.272 5.393 . 0 0 "[ . 1 . 2]" 1
319 1 27 HIS HE1 1 37 LEU MD2 . . 6.470 2.805 2.108 3.966 . 0 0 "[ . 1 . 2]" 1
320 1 27 HIS HE1 1 37 LEU QD . . 5.950 2.776 2.104 3.866 . 0 0 "[ . 1 . 2]" 1
321 1 28 GLU H 1 29 GLY H . . 3.420 3.198 2.698 3.501 0.081 20 0 "[ . 1 . 2]" 1
322 1 28 GLU HA 1 29 GLY H . . 3.020 2.834 2.263 3.108 0.088 11 0 "[ . 1 . 2]" 1
323 1 28 GLU HA 1 99 ALA MB . . 4.170 2.642 2.008 3.315 . 0 0 "[ . 1 . 2]" 1
324 1 28 GLU QG 1 29 GLY H . . 5.910 4.477 3.718 4.863 . 0 0 "[ . 1 . 2]" 1
325 1 28 GLU QG 1 99 ALA H . . 6.280 4.746 3.475 5.422 . 0 0 "[ . 1 . 2]" 1
326 1 28 GLU QG 1 99 ALA MB . . 6.850 3.320 2.150 4.382 . 0 0 "[ . 1 . 2]" 1
327 1 29 GLY H 1 29 GLY HA2 . . 2.930 2.445 2.290 2.997 0.067 20 0 "[ . 1 . 2]" 1
328 1 29 GLY H 1 29 GLY HA3 . . 2.930 2.838 2.345 2.996 0.066 19 0 "[ . 1 . 2]" 1
329 1 29 GLY H 1 99 ALA H . . 4.140 3.064 2.451 4.090 . 0 0 "[ . 1 . 2]" 1
330 1 29 GLY H 1 99 ALA MB . . 6.060 4.123 3.323 5.010 . 0 0 "[ . 1 . 2]" 1
331 1 29 GLY QA 1 98 TYR QB . . 5.300 2.589 2.107 4.295 . 0 0 "[ . 1 . 2]" 1
332 1 29 GLY QA 1 98 TYR QD . . 8.520 3.022 2.196 5.297 . 0 0 "[ . 1 . 2]" 1
333 1 30 GLY H 1 31 ASP H . . 3.920 3.904 2.699 4.013 0.093 19 0 "[ . 1 . 2]" 1
334 1 30 GLY QA 1 31 ASP H . . 3.140 2.200 2.142 2.280 . 0 0 "[ . 1 . 2]" 1
335 1 30 GLY QA 1 32 VAL QG . . 7.760 3.828 2.915 5.218 . 0 0 "[ . 1 . 2]" 1
336 1 31 ASP H 1 31 ASP HA . . 2.830 2.846 2.699 2.911 0.081 19 0 "[ . 1 . 2]" 1
337 1 31 ASP H 1 73 LEU QB . . 6.380 5.264 5.033 5.629 . 0 0 "[ . 1 . 2]" 1
338 1 31 ASP H 1 74 THR MG . . 6.530 4.069 3.403 4.336 . 0 0 "[ . 1 . 2]" 1
339 1 31 ASP HA 1 32 VAL H . . 2.650 2.347 2.222 2.557 . 0 0 "[ . 1 . 2]" 1
340 1 31 ASP HA 1 32 VAL QG . . 6.880 3.589 3.090 4.377 . 0 0 "[ . 1 . 2]" 1
341 1 31 ASP HA 1 74 THR HA . . 4.550 4.528 4.255 4.629 0.079 1 0 "[ . 1 . 2]" 1
342 1 31 ASP HA 1 74 THR MG . . 5.040 2.045 1.924 2.125 . 0 0 "[ . 1 . 2]" 1
343 1 31 ASP QB 1 32 VAL H . . 4.300 2.610 2.282 2.901 . 0 0 "[ . 1 . 2]" 1
344 1 31 ASP QB 1 32 VAL HB . . 5.510 4.922 4.816 4.977 . 0 0 "[ . 1 . 2]" 1
345 1 31 ASP QB 1 32 VAL QG . . 8.960 4.391 4.149 4.706 . 0 0 "[ . 1 . 2]" 1
346 1 31 ASP QB 1 73 LEU QD . . 7.580 2.623 2.240 3.004 . 0 0 "[ . 1 . 2]" 1
347 1 31 ASP QB 1 74 THR HA . . 6.310 5.120 4.585 5.454 . 0 0 "[ . 1 . 2]" 1
348 1 31 ASP QB 1 74 THR MG . . 7.310 3.306 2.977 3.414 . 0 0 "[ . 1 . 2]" 1
349 1 31 ASP QB 1 76 GLU QB . . 7.250 5.553 5.139 5.842 . 0 0 "[ . 1 . 2]" 1
350 1 32 VAL H 1 32 VAL HB . . 3.520 2.786 2.627 3.083 . 0 0 "[ . 1 . 2]" 1
351 1 32 VAL H 1 32 VAL QG . . 4.230 3.196 3.014 3.284 . 0 0 "[ . 1 . 2]" 1
352 1 32 VAL H 1 33 PRO QD . . 6.220 4.115 3.999 4.191 . 0 0 "[ . 1 . 2]" 1
353 1 32 VAL H 1 73 LEU H . . 5.000 5.093 5.085 5.100 0.100 15 0 "[ . 1 . 2]" 1
354 1 32 VAL H 1 73 LEU QB . . 5.360 2.004 1.915 2.074 . 0 0 "[ . 1 . 2]" 1
355 1 32 VAL H 1 73 LEU HG . . 5.000 5.056 4.978 5.080 0.080 7 0 "[ . 1 . 2]" 1
356 1 32 VAL H 1 74 THR MG . . 6.280 2.031 1.850 2.271 . 0 0 "[ . 1 . 2]" 1
357 1 32 VAL HA 1 32 VAL HB . . 2.930 2.937 2.693 3.000 0.070 19 0 "[ . 1 . 2]" 1
358 1 32 VAL HA 1 33 PRO HG2 . . 5.000 4.552 4.430 4.708 . 0 0 "[ . 1 . 2]" 1
359 1 32 VAL HA 1 33 PRO HG3 . . 5.000 4.414 4.137 4.566 . 0 0 "[ . 1 . 2]" 1
360 1 32 VAL HA 1 33 PRO QG . . 4.740 3.987 3.843 4.078 . 0 0 "[ . 1 . 2]" 1
361 1 32 VAL HA 1 33 PRO HD2 . . 4.010 2.497 2.300 3.065 . 0 0 "[ . 1 . 2]" 1
362 1 32 VAL HA 1 33 PRO HD3 . . 4.010 2.154 1.963 2.324 . 0 0 "[ . 1 . 2]" 1
363 1 32 VAL HA 1 33 PRO QD . . 3.540 2.020 1.916 2.108 . 0 0 "[ . 1 . 2]" 1
364 1 32 VAL HA 1 36 GLU QG . . 5.700 4.979 4.529 5.193 . 0 0 "[ . 1 . 2]" 1
365 1 32 VAL HA 1 73 LEU HA . . 5.000 5.083 5.054 5.093 0.093 18 0 "[ . 1 . 2]" 1
366 1 32 VAL HA 1 73 LEU QD . . 7.660 3.667 3.354 4.038 . 0 0 "[ . 1 . 2]" 1
367 1 32 VAL HB 1 33 PRO QD . . 4.330 3.950 3.897 4.011 . 0 0 "[ . 1 . 2]" 1
368 1 32 VAL MG1 1 33 PRO HD2 . . 7.350 2.182 2.019 3.237 . 0 0 "[ . 1 . 2]" 1
369 1 32 VAL MG1 1 33 PRO HD3 . . 7.350 3.437 3.190 4.083 . 0 0 "[ . 1 . 2]" 1
370 1 32 VAL MG2 1 33 PRO HD2 . . 7.350 3.273 2.219 3.792 . 0 0 "[ . 1 . 2]" 1
371 1 32 VAL MG2 1 33 PRO HD3 . . 7.350 3.784 2.719 4.365 . 0 0 "[ . 1 . 2]" 1
372 1 32 VAL QG 1 33 PRO QD . . 5.410 2.058 1.981 2.133 . 0 0 "[ . 1 . 2]" 1
373 1 32 VAL QG 1 34 LEU HA . . 7.370 4.542 3.903 4.829 . 0 0 "[ . 1 . 2]" 1
374 1 32 VAL QG 1 36 GLU QB . . 8.350 2.227 1.937 2.480 . 0 0 "[ . 1 . 2]" 1
375 1 32 VAL QG 1 36 GLU QG . . 7.790 3.226 2.193 3.725 . 0 0 "[ . 1 . 2]" 1
376 1 32 VAL QG 1 37 LEU H . . 6.260 3.016 2.682 3.272 . 0 0 "[ . 1 . 2]" 1
377 1 32 VAL QG 1 37 LEU QB . . 8.960 2.201 1.991 2.400 . 0 0 "[ . 1 . 2]" 1
378 1 32 VAL QG 1 37 LEU HG . . 6.380 3.475 2.852 3.956 . 0 0 "[ . 1 . 2]" 1
379 1 32 VAL QG 1 40 SER QB . . 7.670 4.220 3.765 4.560 . 0 0 "[ . 1 . 2]" 1
380 1 32 VAL QG 1 73 LEU QD . . 10.560 4.100 3.910 4.293 . 0 0 "[ . 1 . 2]" 1
381 1 33 PRO HA 1 34 LEU H . . 3.240 2.189 2.110 2.298 . 0 0 "[ . 1 . 2]" 1
382 1 33 PRO HA 1 73 LEU HA . . 2.930 2.493 2.098 3.011 0.081 16 0 "[ . 1 . 2]" 1
383 1 33 PRO HA 1 73 LEU QD . . 5.960 1.887 1.805 1.985 . 0 0 "[ . 1 . 2]" 1
384 1 33 PRO QB 1 34 LEU H . . 4.150 3.126 2.941 3.508 . 0 0 "[ . 1 . 2]" 1
385 1 33 PRO QB 1 35 VAL H . . 4.950 2.596 2.416 2.800 . 0 0 "[ . 1 . 2]" 1
386 1 33 PRO QB 1 36 GLU QG . . 4.960 3.577 2.178 4.007 . 0 0 "[ . 1 . 2]" 1
387 1 33 PRO QG 1 36 GLU QG . . 4.990 2.296 1.946 3.642 . 0 0 "[ . 1 . 2]" 1
388 1 33 PRO QD 1 36 GLU H . . 5.850 3.903 3.549 4.460 . 0 0 "[ . 1 . 2]" 1
389 1 33 PRO QD 1 36 GLU QB . . 6.510 2.430 2.140 2.800 . 0 0 "[ . 1 . 2]" 1
390 1 33 PRO QD 1 36 GLU QG . . 6.040 2.833 2.425 3.135 . 0 0 "[ . 1 . 2]" 1
391 1 33 PRO QD 1 73 LEU QD . . 7.180 3.137 2.888 3.273 . 0 0 "[ . 1 . 2]" 1
392 1 34 LEU H 1 34 LEU HG . . 4.140 3.423 2.432 4.235 0.095 13 0 "[ . 1 . 2]" 1
393 1 34 LEU H 1 34 LEU MD1 . . 4.570 3.031 1.958 3.806 . 0 0 "[ . 1 . 2]" 1
394 1 34 LEU H 1 34 LEU MD2 . . 4.570 2.950 2.054 3.961 . 0 0 "[ . 1 . 2]" 1
395 1 34 LEU H 1 72 ILE H . . 4.860 4.814 4.470 4.941 0.081 20 0 "[ . 1 . 2]" 1
396 1 34 LEU H 1 73 LEU HA . . 3.020 2.908 2.622 3.098 0.078 13 0 "[ . 1 . 2]" 1
397 1 34 LEU HA 1 34 LEU HG . . 3.640 3.713 3.338 3.742 0.102 1 0 "[ . 1 . 2]" 1
398 1 34 LEU HA 1 37 LEU H . . 3.360 3.334 3.081 3.441 0.081 1 0 "[ . 1 . 2]" 1
399 1 34 LEU HA 1 37 LEU QB . . 5.040 4.126 3.777 4.306 . 0 0 "[ . 1 . 2]" 1
400 1 34 LEU HA 1 37 LEU HG . . 4.200 2.084 1.992 2.175 . 0 0 "[ . 1 . 2]" 1
401 1 34 LEU HA 1 37 LEU MD1 . . 5.130 2.635 2.075 3.132 . 0 0 "[ . 1 . 2]" 1
402 1 34 LEU HA 1 37 LEU MD2 . . 5.130 2.618 2.022 3.336 . 0 0 "[ . 1 . 2]" 1
403 1 34 LEU HA 1 37 LEU QD . . 4.250 2.218 1.989 2.477 . 0 0 "[ . 1 . 2]" 1
404 1 34 LEU HA 1 86 ILE MD . . 5.910 4.551 4.033 4.850 . 0 0 "[ . 1 . 2]" 1
405 1 34 LEU QB 1 37 LEU QB . . 7.250 5.286 4.865 5.570 . 0 0 "[ . 1 . 2]" 1
406 1 34 LEU QB 1 73 LEU HA . . 5.600 4.050 3.595 4.427 . 0 0 "[ . 1 . 2]" 1
407 1 34 LEU QB 1 73 LEU QD . . 7.640 4.390 3.711 4.581 . 0 0 "[ . 1 . 2]" 1
408 1 34 LEU HG 1 67 GLN HA . . 5.000 5.090 5.072 5.099 0.099 16 0 "[ . 1 . 2]" 1
409 1 34 LEU MD1 1 67 GLN HA . . 6.340 3.740 2.952 4.718 . 0 0 "[ . 1 . 2]" 1
410 1 34 LEU MD2 1 67 GLN HA . . 6.340 3.795 2.474 5.037 . 0 0 "[ . 1 . 2]" 1
411 1 34 LEU QD 1 35 VAL H . . 6.180 2.151 1.861 3.977 . 0 0 "[ . 1 . 2]" 1
412 1 34 LEU QD 1 54 ILE H . . 7.230 5.159 4.621 5.482 . 0 0 "[ . 1 . 2]" 1
413 1 34 LEU QD 1 55 GLN HA . . 7.070 4.702 4.142 5.126 . 0 0 "[ . 1 . 2]" 1
414 1 34 LEU QD 1 67 GLN HA . . 5.800 2.847 2.459 3.227 . 0 0 "[ . 1 . 2]" 1
415 1 34 LEU QD 1 67 GLN QG . . 8.510 5.224 4.840 5.468 . 0 0 "[ . 1 . 2]" 1
416 1 34 LEU QD 1 69 VAL HB . . 5.960 3.022 2.311 3.955 . 0 0 "[ . 1 . 2]" 1
417 1 34 LEU QD 1 71 ALA H . . 6.550 3.928 3.684 4.210 . 0 0 "[ . 1 . 2]" 1
418 1 35 VAL H 1 35 VAL HB . . 2.740 2.554 2.177 2.811 0.071 10 0 "[ . 1 . 2]" 1
419 1 35 VAL H 1 36 GLU H . . 3.240 2.718 2.601 2.793 . 0 0 "[ . 1 . 2]" 1
420 1 35 VAL H 1 37 LEU H . . 4.200 4.088 3.936 4.256 0.056 16 0 "[ . 1 . 2]" 1
421 1 35 VAL H 1 37 LEU HG . . 4.540 4.601 4.565 4.625 0.085 10 0 "[ . 1 . 2]" 1
422 1 35 VAL HA 1 38 LEU H . . 3.730 3.655 3.374 3.807 0.077 2 0 "[ . 1 . 2]" 1
423 1 35 VAL HA 1 38 LEU QB . . 5.380 3.905 3.436 4.299 . 0 0 "[ . 1 . 2]" 1
424 1 35 VAL HA 1 39 VAL H . . 4.230 4.214 3.790 4.310 0.080 14 0 "[ . 1 . 2]" 1
425 1 35 VAL HA 1 39 VAL HB . . 4.220 4.297 4.260 4.311 0.091 10 0 "[ . 1 . 2]" 1
426 1 35 VAL HA 1 39 VAL QG . . 6.320 4.150 3.452 4.556 . 0 0 "[ . 1 . 2]" 1
427 1 35 VAL HA 1 50 ALA MB . . 4.670 3.581 3.225 3.800 . 0 0 "[ . 1 . 2]" 1
428 1 35 VAL HB 1 51 ARG HA . . 4.450 3.951 2.723 4.517 0.067 3 0 "[ . 1 . 2]" 1
429 1 35 VAL HB 1 54 ILE QG . . 4.490 3.426 2.197 4.147 . 0 0 "[ . 1 . 2]" 1
430 1 35 VAL MG1 1 36 GLU HA . . 6.120 4.051 3.523 4.495 . 0 0 "[ . 1 . 2]" 1
431 1 35 VAL MG1 1 39 VAL MG1 . . 10.490 5.375 5.041 5.838 . 0 0 "[ . 1 . 2]" 1
432 1 35 VAL MG1 1 39 VAL MG2 . . 10.490 5.091 4.423 5.512 . 0 0 "[ . 1 . 2]" 1
433 1 35 VAL MG2 1 36 GLU HA . . 6.120 4.170 3.381 4.621 . 0 0 "[ . 1 . 2]" 1
434 1 35 VAL MG2 1 39 VAL MG1 . . 10.490 4.585 3.880 5.068 . 0 0 "[ . 1 . 2]" 1
435 1 35 VAL MG2 1 39 VAL MG2 . . 10.490 3.549 2.427 4.078 . 0 0 "[ . 1 . 2]" 1
436 1 35 VAL QG 1 36 GLU H . . 6.320 2.856 2.152 3.249 . 0 0 "[ . 1 . 2]" 1
437 1 35 VAL QG 1 36 GLU HA . . 5.610 3.641 3.112 3.860 . 0 0 "[ . 1 . 2]" 1
438 1 35 VAL QG 1 38 LEU H . . 7.620 4.744 4.416 4.950 . 0 0 "[ . 1 . 2]" 1
439 1 35 VAL QG 1 39 VAL QG . . 8.290 3.327 2.391 3.708 . 0 0 "[ . 1 . 2]" 1
440 1 35 VAL QG 1 50 ALA MB . . 8.310 2.608 2.195 2.999 . 0 0 "[ . 1 . 2]" 1
441 1 35 VAL QG 1 51 ARG H . . 6.790 3.543 2.969 4.133 . 0 0 "[ . 1 . 2]" 1
442 1 35 VAL QG 1 51 ARG HA . . 6.260 2.714 1.946 4.048 . 0 0 "[ . 1 . 2]" 1
443 1 35 VAL QG 1 54 ILE HB . . 6.880 3.599 2.215 4.852 . 0 0 "[ . 1 . 2]" 1
444 1 36 GLU H 1 36 GLU QB . . 3.450 2.424 2.245 2.597 . 0 0 "[ . 1 . 2]" 1
445 1 36 GLU H 1 37 LEU H . . 2.860 2.182 1.931 2.625 . 0 0 "[ . 1 . 2]" 1
446 1 36 GLU H 1 37 LEU HG . . 4.540 3.801 3.360 4.453 . 0 0 "[ . 1 . 2]" 1
447 1 36 GLU H 1 37 LEU QD . . 6.890 4.237 4.008 4.731 . 0 0 "[ . 1 . 2]" 1
448 1 36 GLU H 1 38 LEU H . . 4.010 3.690 3.149 4.082 0.072 10 0 "[ . 1 . 2]" 1
449 1 36 GLU HA 1 39 VAL H . . 3.520 3.500 3.207 3.596 0.076 7 0 "[ . 1 . 2]" 1
450 1 36 GLU HA 1 39 VAL HB . . 2.990 2.775 2.474 3.054 0.064 15 0 "[ . 1 . 2]" 1
451 1 36 GLU HA 1 39 VAL MG1 . . 6.120 2.806 2.324 3.529 . 0 0 "[ . 1 . 2]" 1
452 1 36 GLU HA 1 39 VAL MG2 . . 6.120 3.876 3.564 4.256 . 0 0 "[ . 1 . 2]" 1
453 1 36 GLU HA 1 39 VAL QG . . 5.590 2.720 2.298 3.254 . 0 0 "[ . 1 . 2]" 1
454 1 36 GLU QB 1 37 LEU H . . 3.840 2.959 2.822 3.180 . 0 0 "[ . 1 . 2]" 1
455 1 37 LEU H 1 37 LEU HG . . 2.930 2.117 1.962 2.377 . 0 0 "[ . 1 . 2]" 1
456 1 37 LEU H 1 38 LEU H . . 3.170 2.432 2.368 2.478 . 0 0 "[ . 1 . 2]" 1
457 1 37 LEU H 1 38 LEU HA . . 4.770 4.870 4.866 4.874 0.104 14 0 "[ . 1 . 2]" 1
458 1 37 LEU H 1 39 VAL H . . 3.830 3.874 3.799 3.909 0.079 10 0 "[ . 1 . 2]" 1
459 1 37 LEU HA 1 37 LEU HG . . 3.980 3.735 3.630 3.871 . 0 0 "[ . 1 . 2]" 1
460 1 37 LEU HA 1 38 LEU H . . 3.610 3.605 3.555 3.665 0.055 2 0 "[ . 1 . 2]" 1
461 1 37 LEU HA 1 40 SER HB2 . . 3.300 2.891 2.054 3.373 0.073 13 0 "[ . 1 . 2]" 1
462 1 37 LEU HA 1 40 SER HB3 . . 3.300 2.974 2.453 3.384 0.084 1 0 "[ . 1 . 2]" 1
463 1 37 LEU HA 1 40 SER QB . . 3.020 2.474 2.037 2.853 . 0 0 "[ . 1 . 2]" 1
464 1 37 LEU HA 1 41 ALA H . . 3.870 3.488 3.371 3.620 . 0 0 "[ . 1 . 2]" 1
465 1 37 LEU HA 1 41 ALA MB . . 5.000 4.048 4.037 4.063 . 0 0 "[ . 1 . 2]" 1
466 1 37 LEU QB 1 38 LEU H . . 4.520 3.841 3.753 3.959 . 0 0 "[ . 1 . 2]" 1
467 1 37 LEU QB 1 38 LEU QB . . 7.250 4.870 4.534 5.111 . 0 0 "[ . 1 . 2]" 1
468 1 37 LEU HG 1 38 LEU H . . 3.480 2.995 2.499 3.530 0.050 11 0 "[ . 1 . 2]" 1
469 1 37 LEU MD1 1 96 ILE HB . . 5.750 3.585 3.069 3.985 . 0 0 "[ . 1 . 2]" 1
470 1 37 LEU MD2 1 96 ILE HB . . 5.750 4.310 4.068 4.657 . 0 0 "[ . 1 . 2]" 1
471 1 37 LEU QD 1 38 LEU QB . . 7.080 2.728 2.362 3.141 . 0 0 "[ . 1 . 2]" 1
472 1 37 LEU QD 1 73 LEU HA . . 6.210 3.570 3.162 3.912 . 0 0 "[ . 1 . 2]" 1
473 1 37 LEU QD 1 77 HIS QB . . 8.570 5.043 4.897 5.217 . 0 0 "[ . 1 . 2]" 1
474 1 37 LEU QD 1 96 ILE HB . . 5.340 3.401 2.998 3.677 . 0 0 "[ . 1 . 2]" 1
475 1 38 LEU H 1 38 LEU HG . . 3.920 3.926 2.797 4.014 0.094 13 0 "[ . 1 . 2]" 1
476 1 38 LEU H 1 38 LEU MD1 . . 4.900 4.045 2.187 4.193 . 0 0 "[ . 1 . 2]" 1
477 1 38 LEU H 1 38 LEU MD2 . . 4.900 2.501 2.139 4.157 . 0 0 "[ . 1 . 2]" 1
478 1 38 LEU H 1 38 LEU QD . . 4.270 2.379 2.132 3.347 . 0 0 "[ . 1 . 2]" 1
479 1 38 LEU H 1 39 VAL H . . 3.170 2.354 2.276 2.476 . 0 0 "[ . 1 . 2]" 1
480 1 38 LEU H 1 39 VAL HB . . 4.500 3.934 3.822 4.108 . 0 0 "[ . 1 . 2]" 1
481 1 38 LEU H 1 40 SER H . . 4.230 4.070 3.872 4.276 0.046 4 0 "[ . 1 . 2]" 1
482 1 38 LEU H 1 41 ALA H . . 4.220 4.315 4.309 4.324 0.104 18 0 "[ . 1 . 2]" 1
483 1 38 LEU HA 1 39 VAL QG . . 7.100 5.072 4.900 5.164 . 0 0 "[ . 1 . 2]" 1
484 1 38 LEU HA 1 41 ALA H . . 3.500 3.124 3.003 3.248 . 0 0 "[ . 1 . 2]" 1
485 1 38 LEU HA 1 41 ALA MB . . 5.160 2.378 2.221 2.619 . 0 0 "[ . 1 . 2]" 1
486 1 38 LEU HA 1 43 ILE HB . . 3.860 3.212 2.953 3.632 . 0 0 "[ . 1 . 2]" 1
487 1 38 LEU HA 1 43 ILE MG . . 5.780 4.337 3.870 4.729 . 0 0 "[ . 1 . 2]" 1
488 1 38 LEU HA 1 43 ILE QG . . 4.920 2.962 2.185 3.854 . 0 0 "[ . 1 . 2]" 1
489 1 38 LEU QB 1 39 VAL H . . 4.610 3.598 3.463 3.710 . 0 0 "[ . 1 . 2]" 1
490 1 38 LEU QB 1 42 GLY H . . 5.910 4.814 4.668 4.991 . 0 0 "[ . 1 . 2]" 1
491 1 38 LEU QB 1 44 SER H . . 6.380 4.158 3.877 4.589 . 0 0 "[ . 1 . 2]" 1
492 1 38 LEU HG 1 39 VAL H . . 4.140 3.490 2.367 4.224 0.084 16 0 "[ . 1 . 2]" 1
493 1 38 LEU HG 1 39 VAL HB . . 5.070 4.415 3.377 5.141 0.071 10 0 "[ . 1 . 2]" 1
494 1 38 LEU HG 1 44 SER H . . 4.380 2.773 2.206 4.456 0.076 16 0 "[ . 1 . 2]" 1
495 1 38 LEU QD 1 44 SER H . . 6.140 3.092 1.788 3.596 . 0 0 "[ . 1 . 2]" 1
496 1 38 LEU QD 1 53 ASP H . . 7.230 4.098 3.665 4.365 . 0 0 "[ . 1 . 2]" 1
497 1 38 LEU QD 1 53 ASP HA . . 6.570 4.424 4.093 4.785 . 0 0 "[ . 1 . 2]" 1
498 1 38 LEU QD 1 53 ASP QB . . 8.790 2.269 1.970 2.574 . 0 0 "[ . 1 . 2]" 1
499 1 38 LEU QD 1 94 TYR QD . . 10.240 5.611 4.700 6.046 . 0 0 "[ . 1 . 2]" 1
500 1 39 VAL H 1 39 VAL HB . . 2.710 1.923 1.849 2.018 . 0 0 "[ . 1 . 2]" 1
501 1 39 VAL H 1 40 SER H . . 2.900 2.410 2.233 2.554 . 0 0 "[ . 1 . 2]" 1
502 1 39 VAL H 1 40 SER QB . . 4.740 3.994 3.702 4.278 . 0 0 "[ . 1 . 2]" 1
503 1 39 VAL H 1 41 ALA H . . 3.830 3.632 3.499 3.885 0.055 10 0 "[ . 1 . 2]" 1
504 1 39 VAL H 1 43 ILE HB . . 5.000 4.942 4.824 5.068 0.068 4 0 "[ . 1 . 2]" 1
505 1 39 VAL HA 1 42 GLY H . . 3.420 3.394 3.142 3.496 0.076 13 0 "[ . 1 . 2]" 1
506 1 39 VAL HA 1 43 ILE H . . 3.920 3.867 3.588 3.983 0.063 11 0 "[ . 1 . 2]" 1
507 1 39 VAL HA 1 44 SER QB . . 5.820 4.559 4.183 4.782 . 0 0 "[ . 1 . 2]" 1
508 1 39 VAL HB 1 40 SER H . . 2.960 2.965 2.619 3.058 0.098 16 0 "[ . 1 . 2]" 1
509 1 39 VAL HB 1 44 SER H . . 5.310 5.403 5.392 5.413 0.103 19 0 "[ . 1 . 2]" 1
510 1 39 VAL QG 1 40 SER H . . 6.070 2.330 2.068 2.802 . 0 0 "[ . 1 . 2]" 1
511 1 39 VAL QG 1 40 SER HA . . 6.660 3.272 3.091 3.458 . 0 0 "[ . 1 . 2]" 1
512 1 39 VAL QG 1 44 SER QB . . 7.570 3.859 3.551 4.129 . 0 0 "[ . 1 . 2]" 1
513 1 39 VAL QG 1 46 SER H . . 6.350 3.891 3.607 4.008 . 0 0 "[ . 1 . 2]" 1
514 1 39 VAL QG 1 46 SER HA . . 6.560 4.416 4.141 4.675 . 0 0 "[ . 1 . 2]" 1
515 1 39 VAL QG 1 50 ALA H . . 6.970 4.091 3.878 4.341 . 0 0 "[ . 1 . 2]" 1
516 1 39 VAL QG 1 50 ALA HA . . 6.820 3.875 3.468 4.220 . 0 0 "[ . 1 . 2]" 1
517 1 39 VAL QG 1 51 ARG H . . 7.470 4.765 4.588 5.025 . 0 0 "[ . 1 . 2]" 1
518 1 40 SER H 1 40 SER HA . . 2.770 2.828 2.782 2.849 0.079 20 0 "[ . 1 . 2]" 1
519 1 40 SER H 1 40 SER HB2 . . 3.140 2.127 1.925 2.328 . 0 0 "[ . 1 . 2]" 1
520 1 40 SER H 1 40 SER HB3 . . 3.140 2.984 2.613 3.237 0.097 1 0 "[ . 1 . 2]" 1
521 1 40 SER H 1 40 SER QB . . 2.920 2.071 1.911 2.200 . 0 0 "[ . 1 . 2]" 1
522 1 40 SER H 1 41 ALA H . . 2.990 2.698 2.609 2.782 . 0 0 "[ . 1 . 2]" 1
523 1 40 SER H 1 42 GLY H . . 3.950 4.026 4.011 4.040 0.090 12 0 "[ . 1 . 2]" 1
524 1 40 SER QB 1 41 ALA H . . 3.710 2.684 2.263 2.991 . 0 0 "[ . 1 . 2]" 1
525 1 41 ALA H 1 41 ALA MB . . 3.460 2.256 2.209 2.350 . 0 0 "[ . 1 . 2]" 1
526 1 41 ALA H 1 42 GLY H . . 2.930 2.674 2.610 2.745 . 0 0 "[ . 1 . 2]" 1
527 1 41 ALA HA 1 42 GLY H . . 3.480 3.532 3.490 3.555 0.075 14 0 "[ . 1 . 2]" 1
528 1 42 GLY H 1 42 GLY HA2 . . 2.900 2.373 2.351 2.460 . 0 0 "[ . 1 . 2]" 1
529 1 42 GLY H 1 42 GLY HA3 . . 2.900 2.969 2.960 2.983 0.083 12 0 "[ . 1 . 2]" 1
530 1 42 GLY H 1 43 ILE H . . 3.110 2.059 1.899 2.180 . 0 0 "[ . 1 . 2]" 1
531 1 42 GLY H 1 43 ILE HB . . 3.830 3.921 3.915 3.929 0.099 4 0 "[ . 1 . 2]" 1
532 1 42 GLY H 1 43 ILE MD . . 6.530 2.914 2.689 3.348 . 0 0 "[ . 1 . 2]" 1
533 1 42 GLY H 1 44 SER H . . 3.700 3.724 3.587 3.782 0.082 14 0 "[ . 1 . 2]" 1
534 1 42 GLY HA2 1 43 ILE H . . 3.640 2.929 2.819 3.096 . 0 0 "[ . 1 . 2]" 1
535 1 42 GLY HA3 1 43 ILE H . . 3.640 3.460 3.418 3.518 . 0 0 "[ . 1 . 2]" 1
536 1 42 GLY QA 1 44 SER H . . 4.300 3.668 3.519 3.787 . 0 0 "[ . 1 . 2]" 1
537 1 43 ILE H 1 43 ILE HB . . 2.930 2.184 2.070 2.314 . 0 0 "[ . 1 . 2]" 1
538 1 43 ILE H 1 43 ILE HG12 . . 4.270 3.608 2.693 3.997 . 0 0 "[ . 1 . 2]" 1
539 1 43 ILE H 1 43 ILE HG13 . . 4.270 3.964 3.745 4.162 . 0 0 "[ . 1 . 2]" 1
540 1 43 ILE H 1 43 ILE QG . . 3.700 3.325 2.648 3.443 . 0 0 "[ . 1 . 2]" 1
541 1 43 ILE H 1 43 ILE MD . . 4.820 2.137 2.010 2.449 . 0 0 "[ . 1 . 2]" 1
542 1 43 ILE H 1 44 SER H . . 2.770 2.446 2.355 2.552 . 0 0 "[ . 1 . 2]" 1
543 1 43 ILE HA 1 43 ILE QG . . 3.940 2.900 2.419 3.401 . 0 0 "[ . 1 . 2]" 1
544 1 43 ILE HA 1 94 TYR QE . . 7.480 3.248 2.571 4.300 . 0 0 "[ . 1 . 2]" 1
545 1 43 ILE HB 1 44 SER H . . 2.930 2.533 2.319 2.701 . 0 0 "[ . 1 . 2]" 1
546 1 43 ILE MG 1 44 SER H . . 5.100 3.304 3.146 3.580 . 0 0 "[ . 1 . 2]" 1
547 1 43 ILE MG 1 86 ILE MG . . 6.840 2.602 2.365 2.911 . 0 0 "[ . 1 . 2]" 1
548 1 43 ILE MG 1 88 ARG HA . . 6.370 4.879 4.499 5.359 . 0 0 "[ . 1 . 2]" 1
549 1 43 ILE MG 1 88 ARG QB . . 6.970 2.601 2.333 3.383 . 0 0 "[ . 1 . 2]" 1
550 1 43 ILE MG 1 88 ARG QG . . 6.480 2.867 2.071 4.050 . 0 0 "[ . 1 . 2]" 1
551 1 43 ILE MG 1 88 ARG HD2 . . 5.410 4.198 2.856 4.639 . 0 0 "[ . 1 . 2]" 1
552 1 43 ILE MG 1 88 ARG HD3 . . 5.410 3.948 2.608 4.631 . 0 0 "[ . 1 . 2]" 1
553 1 43 ILE MG 1 88 ARG QD . . 5.230 3.548 2.556 3.956 . 0 0 "[ . 1 . 2]" 1
554 1 43 ILE MG 1 94 TYR QD . . 8.640 3.220 2.581 4.326 . 0 0 "[ . 1 . 2]" 1
555 1 43 ILE MG 1 94 TYR QE . . 7.760 3.216 2.487 4.787 . 0 0 "[ . 1 . 2]" 1
556 1 43 ILE HG12 1 94 TYR HB2 . . 6.410 3.419 2.966 4.036 . 0 0 "[ . 1 . 2]" 1
557 1 43 ILE HG12 1 94 TYR HB3 . . 6.410 4.139 3.709 4.942 . 0 0 "[ . 1 . 2]" 1
558 1 43 ILE HG12 1 94 TYR QD . . 7.330 4.083 3.735 4.409 . 0 0 "[ . 1 . 2]" 1
559 1 43 ILE HG12 1 94 TYR QE . . 7.630 5.207 4.943 5.722 . 0 0 "[ . 1 . 2]" 1
560 1 43 ILE HG13 1 94 TYR HB2 . . 6.410 2.519 2.127 3.104 . 0 0 "[ . 1 . 2]" 1
561 1 43 ILE HG13 1 94 TYR HB3 . . 6.410 3.373 2.745 4.144 . 0 0 "[ . 1 . 2]" 1
562 1 43 ILE HG13 1 94 TYR QD . . 7.330 2.641 2.049 3.104 . 0 0 "[ . 1 . 2]" 1
563 1 43 ILE HG13 1 94 TYR QE . . 7.630 3.768 3.482 4.376 . 0 0 "[ . 1 . 2]" 1
564 1 43 ILE QG 1 44 SER H . . 5.670 4.450 4.173 4.594 . 0 0 "[ . 1 . 2]" 1
565 1 43 ILE QG 1 86 ILE H . . 6.380 5.494 5.158 5.805 . 0 0 "[ . 1 . 2]" 1
566 1 43 ILE QG 1 86 ILE HB . . 5.330 3.499 3.137 3.893 . 0 0 "[ . 1 . 2]" 1
567 1 43 ILE QG 1 86 ILE MD . . 5.720 4.106 3.786 4.262 . 0 0 "[ . 1 . 2]" 1
568 1 43 ILE QG 1 94 TYR H . . 6.380 4.042 3.544 4.801 . 0 0 "[ . 1 . 2]" 1
569 1 43 ILE QG 1 94 TYR QB . . 5.080 2.377 2.076 2.920 . 0 0 "[ . 1 . 2]" 1
570 1 43 ILE QG 1 94 TYR QD . . 7.150 2.608 2.040 3.035 . 0 0 "[ . 1 . 2]" 1
571 1 43 ILE QG 1 96 ILE QG . . 5.360 4.273 3.820 4.357 . 0 0 "[ . 1 . 2]" 1
572 1 43 ILE MD 1 94 TYR QD . . 8.670 2.655 2.105 3.003 . 0 0 "[ . 1 . 2]" 1
573 1 43 ILE MD 1 94 TYR QE . . 8.660 3.419 2.773 3.988 . 0 0 "[ . 1 . 2]" 1
574 1 44 SER H 1 44 SER HB2 . . 3.810 2.944 2.820 3.332 . 0 0 "[ . 1 . 2]" 1
575 1 44 SER H 1 44 SER HB3 . . 3.810 3.763 3.061 3.882 0.072 14 0 "[ . 1 . 2]" 1
576 1 44 SER H 1 44 SER QB . . 3.300 2.832 2.746 2.923 . 0 0 "[ . 1 . 2]" 1
577 1 44 SER HA 1 45 PRO QG . . 5.350 4.006 3.939 4.052 . 0 0 "[ . 1 . 2]" 1
578 1 44 SER HA 1 45 PRO HD2 . . 3.360 2.272 2.184 2.453 . 0 0 "[ . 1 . 2]" 1
579 1 44 SER HA 1 45 PRO HD3 . . 3.360 2.414 2.232 2.554 . 0 0 "[ . 1 . 2]" 1
580 1 44 SER HA 1 45 PRO QD . . 3.130 2.072 2.020 2.117 . 0 0 "[ . 1 . 2]" 1
581 1 44 SER HA 1 46 SER H . . 3.550 3.622 3.564 3.642 0.092 14 0 "[ . 1 . 2]" 1
582 1 44 SER HA 1 49 GLN QB . . 5.730 4.175 3.734 4.496 . 0 0 "[ . 1 . 2]" 1
583 1 44 SER HB2 1 50 ALA H . . 4.760 4.138 3.738 4.829 0.069 13 0 "[ . 1 . 2]" 1
584 1 44 SER HB2 1 50 ALA HA . . 4.480 2.461 2.090 3.145 . 0 0 "[ . 1 . 2]" 1
585 1 44 SER HB2 1 50 ALA MB . . 5.100 3.490 2.673 3.988 . 0 0 "[ . 1 . 2]" 1
586 1 44 SER HB3 1 50 ALA H . . 4.760 3.010 2.486 3.726 . 0 0 "[ . 1 . 2]" 1
587 1 44 SER HB3 1 50 ALA HA . . 4.480 2.642 1.981 3.195 . 0 0 "[ . 1 . 2]" 1
588 1 44 SER HB3 1 50 ALA MB . . 5.100 3.183 2.542 3.819 . 0 0 "[ . 1 . 2]" 1
589 1 44 SER QB 1 50 ALA H . . 4.490 2.936 2.452 3.609 . 0 0 "[ . 1 . 2]" 1
590 1 44 SER QB 1 50 ALA HA . . 4.280 2.223 1.961 2.630 . 0 0 "[ . 1 . 2]" 1
591 1 44 SER QB 1 50 ALA MB . . 4.830 2.923 2.487 3.410 . 0 0 "[ . 1 . 2]" 1
592 1 45 PRO HA 1 46 SER H . . 3.360 3.423 3.380 3.443 0.083 13 0 "[ . 1 . 2]" 1
593 1 45 PRO QB 1 46 SER H . . 4.010 3.671 3.594 3.693 . 0 0 "[ . 1 . 2]" 1
594 1 45 PRO HD2 1 46 SER H . . 3.920 2.635 2.301 2.838 . 0 0 "[ . 1 . 2]" 1
595 1 45 PRO HD3 1 46 SER H . . 3.920 3.862 3.668 3.966 0.046 4 0 "[ . 1 . 2]" 1
596 1 45 PRO QD 1 46 SER H . . 3.490 2.592 2.279 2.779 . 0 0 "[ . 1 . 2]" 1
597 1 45 PRO QD 1 46 SER QB . . 4.920 3.627 3.370 3.741 . 0 0 "[ . 1 . 2]" 1
598 1 45 PRO QD 1 49 GLN QB . . 6.630 4.193 3.913 4.428 . 0 0 "[ . 1 . 2]" 1
599 1 45 PRO QD 1 49 GLN QG . . 6.690 4.659 4.290 4.926 . 0 0 "[ . 1 . 2]" 1
600 1 46 SER H 1 46 SER HA . . 2.900 2.951 2.880 2.975 0.075 14 0 "[ . 1 . 2]" 1
601 1 46 SER H 1 46 SER HB2 . . 3.330 2.721 2.146 3.210 . 0 0 "[ . 1 . 2]" 1
602 1 46 SER H 1 46 SER HB3 . . 3.330 2.614 2.205 3.415 0.085 9 0 "[ . 1 . 2]" 1
603 1 46 SER H 1 49 GLN H . . 4.500 4.564 4.516 4.584 0.084 11 0 "[ . 1 . 2]" 1
604 1 46 SER H 1 49 GLN QB . . 3.560 3.135 3.006 3.289 . 0 0 "[ . 1 . 2]" 1
605 1 46 SER H 1 50 ALA H . . 3.620 3.692 3.604 3.708 0.088 5 0 "[ . 1 . 2]" 1
606 1 46 SER H 1 50 ALA MB . . 5.410 3.676 3.414 3.902 . 0 0 "[ . 1 . 2]" 1
607 1 46 SER HA 1 46 SER HB2 . . 2.900 2.535 2.326 2.991 0.091 9 0 "[ . 1 . 2]" 1
608 1 46 SER HA 1 46 SER HB3 . . 2.900 2.907 2.462 2.988 0.088 3 0 "[ . 1 . 2]" 1
609 1 46 SER QB 1 48 ARG QB . . 6.170 4.508 3.995 4.797 . 0 0 "[ . 1 . 2]" 1
610 1 46 SER QB 1 49 GLN H . . 4.860 3.021 2.556 3.233 . 0 0 "[ . 1 . 2]" 1
611 1 46 SER QB 1 49 GLN QB . . 4.920 2.185 2.063 2.354 . 0 0 "[ . 1 . 2]" 1
612 1 48 ARG H 1 48 ARG HB2 . . 3.360 2.613 2.270 3.440 0.080 19 0 "[ . 1 . 2]" 1
613 1 48 ARG H 1 48 ARG HB3 . . 3.360 2.694 2.360 3.278 . 0 0 "[ . 1 . 2]" 1
614 1 48 ARG H 1 48 ARG QB . . 3.180 2.314 2.195 2.987 . 0 0 "[ . 1 . 2]" 1
615 1 48 ARG H 1 49 GLN H . . 3.920 2.619 2.457 2.790 . 0 0 "[ . 1 . 2]" 1
616 1 48 ARG HA 1 48 ARG HG2 . . 3.920 2.850 2.268 3.932 0.012 19 0 "[ . 1 . 2]" 1
617 1 48 ARG HA 1 48 ARG HG3 . . 3.920 3.540 2.775 3.781 . 0 0 "[ . 1 . 2]" 1
618 1 48 ARG HA 1 48 ARG QG . . 3.440 2.647 2.242 3.210 . 0 0 "[ . 1 . 2]" 1
619 1 48 ARG HA 1 48 ARG HD2 . . 4.880 3.618 2.256 4.771 . 0 0 "[ . 1 . 2]" 1
620 1 48 ARG HA 1 48 ARG HD3 . . 4.880 3.656 2.264 4.691 . 0 0 "[ . 1 . 2]" 1
621 1 48 ARG HA 1 48 ARG QD . . 4.370 3.009 2.237 4.001 . 0 0 "[ . 1 . 2]" 1
622 1 48 ARG HA 1 51 ARG H . . 3.550 3.443 3.037 3.618 0.068 20 0 "[ . 1 . 2]" 1
623 1 48 ARG QB 1 49 GLN H . . 3.870 2.621 2.420 2.973 . 0 0 "[ . 1 . 2]" 1
624 1 48 ARG QG 1 49 GLN H . . 4.990 4.090 3.108 4.566 . 0 0 "[ . 1 . 2]" 1
625 1 48 ARG QD 1 52 GLU H . . 6.380 4.144 3.392 5.791 . 0 0 "[ . 1 . 2]" 1
626 1 49 GLN H 1 49 GLN HB2 . . 3.050 2.252 1.999 2.425 . 0 0 "[ . 1 . 2]" 1
627 1 49 GLN H 1 49 GLN HB3 . . 3.050 2.878 2.664 3.124 0.074 5 0 "[ . 1 . 2]" 1
628 1 49 GLN H 1 49 GLN QB . . 2.790 2.166 1.977 2.292 . 0 0 "[ . 1 . 2]" 1
629 1 49 GLN H 1 50 ALA H . . 3.100 2.563 2.432 2.783 . 0 0 "[ . 1 . 2]" 1
630 1 49 GLN HA 1 52 GLU H . . 3.410 3.455 3.230 3.494 0.084 17 0 "[ . 1 . 2]" 1
631 1 49 GLN HA 1 52 GLU QB . . 4.080 3.160 2.832 3.535 . 0 0 "[ . 1 . 2]" 1
632 1 49 GLN HB2 1 50 ALA H . . 3.330 3.345 3.067 3.417 0.087 4 0 "[ . 1 . 2]" 1
633 1 49 GLN HB3 1 50 ALA H . . 3.330 2.380 2.121 2.761 . 0 0 "[ . 1 . 2]" 1
634 1 49 GLN QB 1 50 ALA H . . 3.090 2.323 2.101 2.615 . 0 0 "[ . 1 . 2]" 1
635 1 49 GLN QB 1 50 ALA HA . . 4.520 3.791 3.760 3.880 . 0 0 "[ . 1 . 2]" 1
636 1 49 GLN QG 1 50 ALA H . . 6.380 4.043 3.533 4.546 . 0 0 "[ . 1 . 2]" 1
637 1 49 GLN HE21 1 52 GLU QB . . 6.380 3.625 2.570 5.055 . 0 0 "[ . 1 . 2]" 1
638 1 49 GLN HE22 1 52 GLU QB . . 6.380 3.774 2.806 4.971 . 0 0 "[ . 1 . 2]" 1
639 1 49 GLN QE 1 53 ASP H . . 6.370 3.378 2.649 3.802 . 0 0 "[ . 1 . 2]" 1
640 1 50 ALA H 1 51 ARG H . . 3.110 3.062 2.865 3.190 0.080 4 0 "[ . 1 . 2]" 1
641 1 50 ALA H 1 52 GLU H . . 4.260 4.319 4.221 4.344 0.084 5 0 "[ . 1 . 2]" 1
642 1 50 ALA HA 1 53 ASP H . . 3.500 3.472 3.235 3.580 0.080 4 0 "[ . 1 . 2]" 1
643 1 50 ALA HA 1 53 ASP HB2 . . 3.890 2.348 2.152 2.588 . 0 0 "[ . 1 . 2]" 1
644 1 50 ALA HA 1 53 ASP HB3 . . 3.890 3.463 2.741 3.862 . 0 0 "[ . 1 . 2]" 1
645 1 50 ALA HA 1 53 ASP QB . . 3.590 2.308 2.126 2.542 . 0 0 "[ . 1 . 2]" 1
646 1 50 ALA MB 1 51 ARG H . . 4.080 2.253 2.153 2.411 . 0 0 "[ . 1 . 2]" 1
647 1 50 ALA MB 1 51 ARG HA . . 4.660 3.693 3.539 3.823 . 0 0 "[ . 1 . 2]" 1
648 1 51 ARG H 1 51 ARG QB . . 3.350 2.288 2.175 2.404 . 0 0 "[ . 1 . 2]" 1
649 1 51 ARG H 1 52 GLU H . . 2.900 2.873 2.783 2.961 0.061 5 0 "[ . 1 . 2]" 1
650 1 51 ARG HA 1 52 GLU H . . 3.480 3.555 3.495 3.568 0.088 7 0 "[ . 1 . 2]" 1
651 1 51 ARG HA 1 54 ILE MG . . 5.000 3.576 2.820 4.180 . 0 0 "[ . 1 . 2]" 1
652 1 51 ARG HA 1 54 ILE MD . . 5.320 3.235 1.981 4.349 . 0 0 "[ . 1 . 2]" 1
653 1 51 ARG QB 1 52 GLU H . . 3.680 3.003 2.664 3.398 . 0 0 "[ . 1 . 2]" 1
654 1 52 GLU H 1 52 GLU QB . . 3.710 2.343 2.228 2.448 . 0 0 "[ . 1 . 2]" 1
655 1 52 GLU H 1 52 GLU QG . . 4.490 4.082 4.015 4.121 . 0 0 "[ . 1 . 2]" 1
656 1 52 GLU H 1 53 ASP H . . 2.990 2.484 2.413 2.531 . 0 0 "[ . 1 . 2]" 1
657 1 52 GLU H 1 53 ASP HA . . 5.070 5.134 5.062 5.154 0.084 6 0 "[ . 1 . 2]" 1
658 1 52 GLU H 1 53 ASP QB . . 4.890 4.097 3.996 4.186 . 0 0 "[ . 1 . 2]" 1
659 1 52 GLU H 1 55 GLN H . . 5.000 4.480 4.361 4.678 . 0 0 "[ . 1 . 2]" 1
660 1 52 GLU HA 1 53 ASP H . . 3.640 3.542 3.461 3.602 . 0 0 "[ . 1 . 2]" 1
661 1 52 GLU HA 1 54 ILE H . . 3.550 3.633 3.609 3.648 0.098 3 0 "[ . 1 . 2]" 1
662 1 52 GLU HA 1 55 GLN H . . 3.580 2.686 2.410 3.081 . 0 0 "[ . 1 . 2]" 1
663 1 52 GLU HA 1 55 GLN QB . . 3.780 2.313 2.047 2.767 . 0 0 "[ . 1 . 2]" 1
664 1 52 GLU HA 1 55 GLN QE . . 6.180 5.127 3.151 5.624 . 0 0 "[ . 1 . 2]" 1
665 1 52 GLU HA 1 56 ASN H . . 3.580 3.628 3.501 3.662 0.082 14 0 "[ . 1 . 2]" 1
666 1 52 GLU QB 1 53 ASP H . . 3.990 2.882 2.595 3.190 . 0 0 "[ . 1 . 2]" 1
667 1 52 GLU QB 1 56 ASN QD . . 7.250 3.855 2.443 4.303 . 0 0 "[ . 1 . 2]" 1
668 1 52 GLU HG2 1 56 ASN HA . . 5.040 5.120 5.097 5.135 0.095 9 0 "[ . 1 . 2]" 1
669 1 52 GLU HG3 1 56 ASN HA . . 5.040 5.109 4.981 5.136 0.096 10 0 "[ . 1 . 2]" 1
670 1 53 ASP H 1 53 ASP HB2 . . 3.220 2.072 2.029 2.167 . 0 0 "[ . 1 . 2]" 1
671 1 53 ASP H 1 53 ASP HB3 . . 3.220 3.288 3.031 3.309 0.089 18 0 "[ . 1 . 2]" 1
672 1 53 ASP H 1 53 ASP QB . . 3.020 2.051 2.011 2.122 . 0 0 "[ . 1 . 2]" 1
673 1 53 ASP H 1 54 ILE H . . 2.990 2.548 2.428 2.712 . 0 0 "[ . 1 . 2]" 1
674 1 53 ASP H 1 55 GLN H . . 4.520 4.229 3.947 4.486 . 0 0 "[ . 1 . 2]" 1
675 1 53 ASP HA 1 54 ILE H . . 3.610 3.421 3.256 3.584 . 0 0 "[ . 1 . 2]" 1
676 1 53 ASP HA 1 56 ASN H . . 3.830 3.899 3.832 3.924 0.094 19 0 "[ . 1 . 2]" 1
677 1 53 ASP HA 1 59 ILE MG . . 5.100 4.036 3.827 4.138 . 0 0 "[ . 1 . 2]" 1
678 1 53 ASP HB2 1 54 ILE H . . 3.520 3.265 3.008 3.581 0.061 7 0 "[ . 1 . 2]" 1
679 1 53 ASP HB3 1 54 ILE H . . 3.520 3.495 3.040 3.607 0.087 3 0 "[ . 1 . 2]" 1
680 1 53 ASP QB 1 54 ILE H . . 3.350 2.985 2.778 3.143 . 0 0 "[ . 1 . 2]" 1
681 1 53 ASP QB 1 59 ILE QG . . 5.880 4.306 3.986 4.458 . 0 0 "[ . 1 . 2]" 1
682 1 54 ILE H 1 54 ILE HA . . 2.800 2.893 2.886 2.899 0.099 10 0 "[ . 1 . 2]" 1
683 1 54 ILE H 1 54 ILE HB . . 2.830 2.308 2.085 2.492 . 0 0 "[ . 1 . 2]" 1
684 1 54 ILE H 1 54 ILE MG . . 4.400 3.548 3.183 3.797 . 0 0 "[ . 1 . 2]" 1
685 1 54 ILE H 1 54 ILE QG . . 5.110 3.214 2.451 4.052 . 0 0 "[ . 1 . 2]" 1
686 1 54 ILE H 1 55 GLN H . . 3.080 2.482 2.332 2.668 . 0 0 "[ . 1 . 2]" 1
687 1 54 ILE H 1 56 ASN H . . 4.230 3.768 3.586 3.893 . 0 0 "[ . 1 . 2]" 1
688 1 54 ILE HA 1 55 GLN H . . 3.610 3.609 3.456 3.671 0.061 10 0 "[ . 1 . 2]" 1
689 1 54 ILE HA 1 59 ILE H . . 5.000 5.087 5.062 5.103 0.103 12 0 "[ . 1 . 2]" 1
690 1 54 ILE HA 1 59 ILE HB . . 4.170 4.003 3.737 4.214 0.044 9 0 "[ . 1 . 2]" 1
691 1 54 ILE HA 1 59 ILE MG . . 5.570 1.981 1.930 2.028 . 0 0 "[ . 1 . 2]" 1
692 1 54 ILE HA 1 59 ILE MD . . 4.730 3.814 3.299 3.900 . 0 0 "[ . 1 . 2]" 1
693 1 54 ILE HA 1 67 GLN QB . . 6.350 4.082 3.750 4.351 . 0 0 "[ . 1 . 2]" 1
694 1 54 ILE HB 1 55 GLN H . . 3.590 2.857 2.206 3.652 0.062 11 0 "[ . 1 . 2]" 1
695 1 54 ILE MG 1 55 GLN H . . 4.760 2.855 2.303 3.433 . 0 0 "[ . 1 . 2]" 1
696 1 54 ILE MG 1 55 GLN HA . . 4.760 2.990 2.744 3.746 . 0 0 "[ . 1 . 2]" 1
697 1 54 ILE MG 1 67 GLN HA . . 4.920 3.192 2.831 3.841 . 0 0 "[ . 1 . 2]" 1
698 1 54 ILE MG 1 67 GLN QB . . 6.540 3.638 3.211 4.105 . 0 0 "[ . 1 . 2]" 1
699 1 54 ILE MG 1 68 ASP H . . 5.510 4.014 3.449 4.429 . 0 0 "[ . 1 . 2]" 1
700 1 54 ILE MG 1 69 VAL H . . 5.500 4.278 3.908 4.655 . 0 0 "[ . 1 . 2]" 1
701 1 54 ILE QG 1 56 ASN H . . 6.220 5.431 5.109 5.584 . 0 0 "[ . 1 . 2]" 1
702 1 55 GLN H 1 55 GLN HB2 . . 3.450 2.275 2.166 2.331 . 0 0 "[ . 1 . 2]" 1
703 1 55 GLN H 1 55 GLN HB3 . . 3.450 3.492 3.035 3.533 0.083 11 0 "[ . 1 . 2]" 1
704 1 55 GLN H 1 55 GLN QB . . 3.080 2.247 2.121 2.300 . 0 0 "[ . 1 . 2]" 1
705 1 55 GLN H 1 55 GLN QG . . 4.950 2.700 2.292 4.044 . 0 0 "[ . 1 . 2]" 1
706 1 55 GLN H 1 56 ASN H . . 3.080 2.717 2.352 2.857 . 0 0 "[ . 1 . 2]" 1
707 1 55 GLN H 1 56 ASN QB . . 5.540 4.692 4.319 4.802 . 0 0 "[ . 1 . 2]" 1
708 1 55 GLN HA 1 56 ASN H . . 3.360 3.398 3.295 3.439 0.079 8 0 "[ . 1 . 2]" 1
709 1 55 GLN HA 1 67 GLN HA . . 4.390 3.953 3.598 4.174 . 0 0 "[ . 1 . 2]" 1
710 1 55 GLN HA 1 67 GLN HB2 . . 4.880 2.271 2.070 2.441 . 0 0 "[ . 1 . 2]" 1
711 1 55 GLN HA 1 67 GLN HB3 . . 4.880 3.888 3.634 4.139 . 0 0 "[ . 1 . 2]" 1
712 1 55 GLN HA 1 67 GLN QB . . 4.600 2.256 2.060 2.423 . 0 0 "[ . 1 . 2]" 1
713 1 55 GLN HB2 1 56 ASN H . . 4.200 3.542 3.249 3.974 . 0 0 "[ . 1 . 2]" 1
714 1 55 GLN HB3 1 56 ASN H . . 4.200 4.062 3.367 4.243 0.043 19 0 "[ . 1 . 2]" 1
715 1 55 GLN QB 1 56 ASN H . . 3.810 3.316 3.121 3.474 . 0 0 "[ . 1 . 2]" 1
716 1 55 GLN QB 1 57 GLY H . . 6.330 5.659 5.531 5.750 . 0 0 "[ . 1 . 2]" 1
717 1 55 GLN QG 1 56 ASN H . . 5.420 4.516 4.387 4.897 . 0 0 "[ . 1 . 2]" 1
718 1 55 GLN QG 1 56 ASN QD . . 7.250 5.416 4.711 5.798 . 0 0 "[ . 1 . 2]" 1
719 1 55 GLN QG 1 67 GLN QB . . 5.440 4.045 3.787 4.212 . 0 0 "[ . 1 . 2]" 1
720 1 56 ASN H 1 56 ASN QB . . 3.800 2.305 2.231 2.495 . 0 0 "[ . 1 . 2]" 1
721 1 56 ASN H 1 56 ASN HD21 . . 5.500 3.067 2.726 3.542 . 0 0 "[ . 1 . 2]" 1
722 1 56 ASN H 1 56 ASN HD22 . . 5.500 4.418 4.273 4.630 . 0 0 "[ . 1 . 2]" 1
723 1 56 ASN H 1 56 ASN QD . . 5.320 3.007 2.700 3.402 . 0 0 "[ . 1 . 2]" 1
724 1 56 ASN H 1 57 GLY H . . 4.480 4.508 4.430 4.555 0.075 9 0 "[ . 1 . 2]" 1
725 1 56 ASN H 1 58 ALA H . . 4.400 4.407 4.206 4.471 0.071 10 0 "[ . 1 . 2]" 1
726 1 56 ASN HA 1 57 GLY H . . 3.300 2.040 1.888 2.134 . 0 0 "[ . 1 . 2]" 1
727 1 56 ASN HA 1 58 ALA H . . 3.730 3.629 3.490 3.790 0.060 18 0 "[ . 1 . 2]" 1
728 1 56 ASN HA 1 65 ARG QG . . 6.300 5.698 5.558 5.743 . 0 0 "[ . 1 . 2]" 1
729 1 56 ASN HA 1 67 GLN HB2 . . 4.540 4.076 3.837 4.289 . 0 0 "[ . 1 . 2]" 1
730 1 56 ASN HA 1 67 GLN HB3 . . 4.540 4.316 4.102 4.514 . 0 0 "[ . 1 . 2]" 1
731 1 56 ASN HA 1 67 GLN QB . . 4.020 3.713 3.638 3.746 . 0 0 "[ . 1 . 2]" 1
732 1 56 ASN HA 1 67 GLN HG2 . . 4.400 3.884 2.906 4.482 0.082 17 0 "[ . 1 . 2]" 1
733 1 56 ASN HA 1 67 GLN HG3 . . 4.400 4.106 3.537 4.502 0.102 7 0 "[ . 1 . 2]" 1
734 1 56 ASN HA 1 67 GLN QG . . 3.870 3.408 2.871 3.573 . 0 0 "[ . 1 . 2]" 1
735 1 56 ASN QB 1 58 ALA H . . 4.890 2.085 1.764 2.373 . 0 0 "[ . 1 . 2]" 1
736 1 56 ASN QB 1 60 TYR QD . . 8.520 6.752 6.343 7.021 . 0 0 "[ . 1 . 2]" 1
737 1 56 ASN QB 1 67 GLN QB . . 6.880 4.180 4.048 4.406 . 0 0 "[ . 1 . 2]" 1
738 1 56 ASN QD 1 67 GLN QG . . 7.240 5.121 4.302 5.761 . 0 0 "[ . 1 . 2]" 1
739 1 57 GLY H 1 57 GLY HA2 . . 2.860 2.851 2.786 2.926 0.066 18 0 "[ . 1 . 2]" 1
740 1 57 GLY H 1 57 GLY HA3 . . 2.860 2.295 2.265 2.357 . 0 0 "[ . 1 . 2]" 1
741 1 57 GLY H 1 58 ALA H . . 2.960 3.021 2.981 3.048 0.088 5 0 "[ . 1 . 2]" 1
742 1 57 GLY H 1 58 ALA MB . . 5.660 4.392 3.917 4.550 . 0 0 "[ . 1 . 2]" 1
743 1 57 GLY H 1 59 ILE H . . 4.630 4.676 4.548 4.709 0.079 4 0 "[ . 1 . 2]" 1
744 1 57 GLY H 1 59 ILE MG . . 6.530 4.841 4.735 4.941 . 0 0 "[ . 1 . 2]" 1
745 1 57 GLY H 1 65 ARG QG . . 6.190 4.145 4.015 4.334 . 0 0 "[ . 1 . 2]" 1
746 1 57 GLY H 1 65 ARG QD . . 6.380 5.288 4.023 5.788 . 0 0 "[ . 1 . 2]" 1
747 1 57 GLY HA2 1 58 ALA H . . 3.550 3.020 2.598 3.229 . 0 0 "[ . 1 . 2]" 1
748 1 57 GLY HA2 1 59 ILE H . . 4.670 3.362 3.105 3.657 . 0 0 "[ . 1 . 2]" 1
749 1 57 GLY HA2 1 65 ARG QD . . 6.380 3.662 2.427 4.314 . 0 0 "[ . 1 . 2]" 1
750 1 57 GLY HA3 1 58 ALA H . . 3.550 3.420 3.374 3.472 . 0 0 "[ . 1 . 2]" 1
751 1 57 GLY HA3 1 59 ILE H . . 4.670 4.603 4.346 4.757 0.087 12 0 "[ . 1 . 2]" 1
752 1 57 GLY HA3 1 65 ARG QD . . 6.380 3.600 2.645 4.311 . 0 0 "[ . 1 . 2]" 1
753 1 57 GLY QA 1 59 ILE H . . 4.310 3.282 3.057 3.541 . 0 0 "[ . 1 . 2]" 1
754 1 58 ALA H 1 59 ILE H . . 2.900 2.229 1.952 2.481 . 0 0 "[ . 1 . 2]" 1
755 1 58 ALA H 1 59 ILE HB . . 4.630 4.612 4.466 4.709 0.079 6 0 "[ . 1 . 2]" 1
756 1 58 ALA HA 1 59 ILE H . . 3.610 3.525 3.388 3.651 0.041 9 0 "[ . 1 . 2]" 1
757 1 58 ALA HA 1 60 TYR QD . . 7.640 3.779 3.397 4.225 . 0 0 "[ . 1 . 2]" 1
758 1 58 ALA HA 1 60 TYR QE . . 6.580 2.693 2.170 3.228 . 0 0 "[ . 1 . 2]" 1
759 1 58 ALA HA 1 89 GLY H . . 3.860 3.850 3.560 3.950 0.090 18 0 "[ . 1 . 2]" 1
760 1 58 ALA MB 1 59 ILE HA . . 5.720 4.320 4.025 4.532 . 0 0 "[ . 1 . 2]" 1
761 1 58 ALA MB 1 60 TYR H . . 6.310 4.891 4.592 5.208 . 0 0 "[ . 1 . 2]" 1
762 1 58 ALA MB 1 60 TYR QE . . 8.660 3.553 2.916 4.377 . 0 0 "[ . 1 . 2]" 1
763 1 58 ALA MB 1 88 ARG HA . . 6.400 3.967 3.656 4.471 . 0 0 "[ . 1 . 2]" 1
764 1 58 ALA MB 1 88 ARG HD2 . . 6.060 3.888 3.134 4.976 . 0 0 "[ . 1 . 2]" 1
765 1 58 ALA MB 1 88 ARG HD3 . . 6.060 4.293 3.228 4.952 . 0 0 "[ . 1 . 2]" 1
766 1 58 ALA MB 1 88 ARG QD . . 5.720 3.549 3.021 4.182 . 0 0 "[ . 1 . 2]" 1
767 1 58 ALA MB 1 89 GLY H . . 4.670 2.929 2.308 3.572 . 0 0 "[ . 1 . 2]" 1
768 1 58 ALA MB 1 89 GLY HA2 . . 5.880 4.308 3.695 4.704 . 0 0 "[ . 1 . 2]" 1
769 1 58 ALA MB 1 89 GLY HA3 . . 5.880 2.876 2.224 3.379 . 0 0 "[ . 1 . 2]" 1
770 1 58 ALA MB 1 89 GLY QA . . 5.750 2.834 2.207 3.303 . 0 0 "[ . 1 . 2]" 1
771 1 59 ILE H 1 59 ILE HB . . 3.110 2.865 2.603 3.015 . 0 0 "[ . 1 . 2]" 1
772 1 59 ILE H 1 59 ILE MG . . 4.790 2.056 1.932 2.168 . 0 0 "[ . 1 . 2]" 1
773 1 59 ILE H 1 59 ILE HG12 . . 4.760 4.573 4.493 4.637 . 0 0 "[ . 1 . 2]" 1
774 1 59 ILE H 1 59 ILE HG13 . . 4.760 4.677 4.509 4.775 0.015 14 0 "[ . 1 . 2]" 1
775 1 59 ILE H 1 59 ILE QG . . 4.570 4.118 4.010 4.181 . 0 0 "[ . 1 . 2]" 1
776 1 59 ILE H 1 59 ILE MD . . 5.320 3.990 3.828 4.137 . 0 0 "[ . 1 . 2]" 1
777 1 59 ILE H 1 66 LEU H . . 5.010 4.696 4.536 4.863 . 0 0 "[ . 1 . 2]" 1
778 1 59 ILE HA 1 59 ILE MD . . 4.170 2.935 2.752 3.088 . 0 0 "[ . 1 . 2]" 1
779 1 59 ILE HA 1 60 TYR H . . 2.710 2.047 1.956 2.147 . 0 0 "[ . 1 . 2]" 1
780 1 59 ILE HA 1 60 TYR QD . . 7.640 3.907 3.439 4.450 . 0 0 "[ . 1 . 2]" 1
781 1 59 ILE HA 1 86 ILE MD . . 6.100 5.022 4.965 5.041 . 0 0 "[ . 1 . 2]" 1
782 1 59 ILE HA 1 88 ARG HA . . 3.390 2.181 2.023 2.305 . 0 0 "[ . 1 . 2]" 1
783 1 59 ILE HA 1 88 ARG QG . . 5.820 4.429 2.720 5.010 . 0 0 "[ . 1 . 2]" 1
784 1 59 ILE HA 1 89 GLY H . . 4.140 3.500 3.243 3.830 . 0 0 "[ . 1 . 2]" 1
785 1 59 ILE HB 1 67 GLN QB . . 5.920 5.177 5.004 5.388 . 0 0 "[ . 1 . 2]" 1
786 1 59 ILE HB 1 88 ARG H . . 5.000 5.099 5.088 5.107 0.107 7 0 "[ . 1 . 2]" 1
787 1 59 ILE HB 1 88 ARG QG . . 5.360 3.588 1.773 4.345 . 0 0 "[ . 1 . 2]" 1
788 1 59 ILE MG 1 60 TYR H . . 5.220 4.348 4.295 4.394 . 0 0 "[ . 1 . 2]" 1
789 1 59 ILE MD 1 60 TYR H . . 5.130 3.553 3.280 3.923 . 0 0 "[ . 1 . 2]" 1
790 1 59 ILE MD 1 67 GLN H . . 6.570 5.326 5.203 5.387 . 0 0 "[ . 1 . 2]" 1
791 1 59 ILE MD 1 88 ARG H . . 6.160 5.071 4.918 5.138 . 0 0 "[ . 1 . 2]" 1
792 1 59 ILE MD 1 88 ARG HA . . 5.260 4.378 4.167 4.448 . 0 0 "[ . 1 . 2]" 1
793 1 59 ILE MD 1 88 ARG QB . . 5.890 4.153 3.785 4.250 . 0 0 "[ . 1 . 2]" 1
794 1 59 ILE MD 1 88 ARG QD . . 6.420 4.585 3.847 4.920 . 0 0 "[ . 1 . 2]" 1
795 1 60 TYR H 1 60 TYR HB2 . . 3.480 2.624 2.361 3.076 . 0 0 "[ . 1 . 2]" 1
796 1 60 TYR H 1 60 TYR HB3 . . 3.480 3.550 3.525 3.567 0.087 1 0 "[ . 1 . 2]" 1
797 1 60 TYR H 1 65 ARG QG . . 6.290 5.664 5.440 5.724 . 0 0 "[ . 1 . 2]" 1
798 1 60 TYR H 1 87 ARG H . . 3.450 3.460 3.279 3.524 0.074 16 0 "[ . 1 . 2]" 1
799 1 60 TYR H 1 87 ARG QB . . 5.850 3.205 2.820 3.611 . 0 0 "[ . 1 . 2]" 1
800 1 60 TYR H 1 88 ARG HA . . 4.070 3.497 3.066 3.732 . 0 0 "[ . 1 . 2]" 1
801 1 60 TYR HA 1 61 VAL H . . 2.650 2.173 2.100 2.225 . 0 0 "[ . 1 . 2]" 1
802 1 60 TYR HA 1 61 VAL QG . . 7.530 3.869 3.561 4.041 . 0 0 "[ . 1 . 2]" 1
803 1 60 TYR HA 1 64 GLU H . . 3.790 3.571 3.384 3.871 0.081 18 0 "[ . 1 . 2]" 1
804 1 60 TYR HA 1 65 ARG HA . . 2.930 2.099 1.997 2.209 . 0 0 "[ . 1 . 2]" 1
805 1 60 TYR HA 1 66 LEU H . . 3.140 2.972 2.710 3.183 0.043 8 0 "[ . 1 . 2]" 1
806 1 60 TYR HA 1 87 ARG H . . 4.650 4.733 4.714 4.741 0.091 13 0 "[ . 1 . 2]" 1
807 1 60 TYR HB2 1 61 VAL H . . 4.350 4.308 4.040 4.420 0.070 20 0 "[ . 1 . 2]" 1
808 1 60 TYR HB2 1 87 ARG H . . 5.130 3.642 3.399 3.860 . 0 0 "[ . 1 . 2]" 1
809 1 60 TYR HB3 1 61 VAL H . . 4.350 3.779 3.459 4.013 . 0 0 "[ . 1 . 2]" 1
810 1 60 TYR HB3 1 87 ARG H . . 5.130 4.896 4.558 5.210 0.080 8 0 "[ . 1 . 2]" 1
811 1 60 TYR QB 1 61 VAL H . . 4.000 3.546 3.273 3.660 . 0 0 "[ . 1 . 2]" 1
812 1 60 TYR QB 1 63 GLY H . . 4.990 3.365 3.008 3.930 . 0 0 "[ . 1 . 2]" 1
813 1 60 TYR QB 1 87 ARG H . . 4.710 3.548 3.313 3.763 . 0 0 "[ . 1 . 2]" 1
814 1 60 TYR QB 1 87 ARG QB . . 6.260 2.082 1.966 2.204 . 0 0 "[ . 1 . 2]" 1
815 1 60 TYR QD 1 61 VAL H . . 7.640 4.774 4.593 5.002 . 0 0 "[ . 1 . 2]" 1
816 1 60 TYR QD 1 63 GLY QA . . 7.990 4.381 3.761 5.563 . 0 0 "[ . 1 . 2]" 1
817 1 60 TYR QD 1 64 GLU H . . 7.640 4.730 4.238 5.464 . 0 0 "[ . 1 . 2]" 1
818 1 60 TYR QD 1 65 ARG H . . 7.640 2.859 2.305 4.423 . 0 0 "[ . 1 . 2]" 1
819 1 60 TYR QD 1 65 ARG HA . . 7.390 2.936 2.322 3.460 . 0 0 "[ . 1 . 2]" 1
820 1 60 TYR QD 1 65 ARG HB2 . . 7.640 2.527 2.177 3.092 . 0 0 "[ . 1 . 2]" 1
821 1 60 TYR QD 1 65 ARG HB3 . . 7.640 3.640 2.920 4.295 . 0 0 "[ . 1 . 2]" 1
822 1 60 TYR QD 1 65 ARG QB . . 7.420 2.471 2.161 2.950 . 0 0 "[ . 1 . 2]" 1
823 1 60 TYR QD 1 65 ARG QG . . 8.520 4.032 3.396 4.604 . 0 0 "[ . 1 . 2]" 1
824 1 60 TYR QD 1 87 ARG H . . 7.640 4.630 4.203 4.993 . 0 0 "[ . 1 . 2]" 1
825 1 60 TYR QD 1 87 ARG QB . . 8.520 2.846 2.029 3.841 . 0 0 "[ . 1 . 2]" 1
826 1 60 TYR QE 1 65 ARG HA . . 7.630 4.453 4.129 5.096 . 0 0 "[ . 1 . 2]" 1
827 1 60 TYR QE 1 65 ARG HB2 . . 7.630 2.909 2.344 4.062 . 0 0 "[ . 1 . 2]" 1
828 1 60 TYR QE 1 65 ARG HB3 . . 7.630 4.182 3.353 5.695 . 0 0 "[ . 1 . 2]" 1
829 1 60 TYR QE 1 65 ARG QB . . 7.290 2.851 2.316 3.979 . 0 0 "[ . 1 . 2]" 1
830 1 60 TYR QE 1 65 ARG QD . . 8.510 5.174 4.470 6.116 . 0 0 "[ . 1 . 2]" 1
831 1 60 TYR QE 1 87 ARG QB . . 8.510 4.737 3.363 5.742 . 0 0 "[ . 1 . 2]" 1
832 1 60 TYR QE 1 89 GLY H . . 7.630 3.514 2.915 4.070 . 0 0 "[ . 1 . 2]" 1
833 1 60 TYR QE 1 89 GLY QA . . 8.510 3.183 2.332 3.953 . 0 0 "[ . 1 . 2]" 1
834 1 61 VAL H 1 61 VAL HB . . 2.960 2.706 2.550 2.881 . 0 0 "[ . 1 . 2]" 1
835 1 61 VAL H 1 64 GLU H . . 2.900 2.968 2.832 2.986 0.086 16 0 "[ . 1 . 2]" 1
836 1 61 VAL H 1 65 ARG HA . . 3.450 3.516 3.448 3.537 0.087 18 0 "[ . 1 . 2]" 1
837 1 61 VAL H 1 66 LEU H . . 3.140 2.942 2.760 3.132 . 0 0 "[ . 1 . 2]" 1
838 1 61 VAL H 1 66 LEU QB . . 6.380 3.048 2.722 3.334 . 0 0 "[ . 1 . 2]" 1
839 1 61 VAL H 1 66 LEU HG . . 5.280 4.004 3.680 4.336 . 0 0 "[ . 1 . 2]" 1
840 1 61 VAL HA 1 62 ASN H . . 2.770 2.217 2.064 2.444 . 0 0 "[ . 1 . 2]" 1
841 1 61 VAL HA 1 84 THR MG . . 5.910 3.996 3.668 4.339 . 0 0 "[ . 1 . 2]" 1
842 1 61 VAL HA 1 86 ILE HA . . 3.080 2.556 2.242 2.865 . 0 0 "[ . 1 . 2]" 1
843 1 61 VAL HA 1 86 ILE QG . . 5.980 4.453 4.181 5.012 . 0 0 "[ . 1 . 2]" 1
844 1 61 VAL HA 1 86 ILE MD . . 6.090 2.928 2.576 3.711 . 0 0 "[ . 1 . 2]" 1
845 1 61 VAL HA 1 87 ARG H . . 3.580 3.093 2.625 3.395 . 0 0 "[ . 1 . 2]" 1
846 1 61 VAL HB 1 66 LEU QD . . 6.390 2.951 2.161 4.177 . 0 0 "[ . 1 . 2]" 1
847 1 61 VAL QG 1 62 ASN H . . 6.130 2.589 2.447 2.760 . 0 0 "[ . 1 . 2]" 1
848 1 61 VAL QG 1 62 ASN HA . . 5.730 3.887 3.728 3.980 . 0 0 "[ . 1 . 2]" 1
849 1 61 VAL QG 1 63 GLY H . . 7.030 4.049 3.506 4.583 . 0 0 "[ . 1 . 2]" 1
850 1 61 VAL QG 1 64 GLU H . . 7.340 3.945 3.222 4.407 . 0 0 "[ . 1 . 2]" 1
851 1 62 ASN H 1 62 ASN HA . . 2.860 2.302 2.186 2.413 . 0 0 "[ . 1 . 2]" 1
852 1 62 ASN H 1 62 ASN HB2 . . 4.140 3.414 3.115 4.040 . 0 0 "[ . 1 . 2]" 1
853 1 62 ASN H 1 62 ASN HB3 . . 4.140 4.057 3.041 4.203 0.063 5 0 "[ . 1 . 2]" 1
854 1 62 ASN H 1 62 ASN QB . . 3.870 3.216 2.958 3.429 . 0 0 "[ . 1 . 2]" 1
855 1 62 ASN H 1 63 GLY H . . 3.240 2.856 2.486 3.334 0.094 16 0 "[ . 1 . 2]" 1
856 1 62 ASN H 1 64 GLU H . . 4.420 4.318 4.095 4.491 0.071 18 0 "[ . 1 . 2]" 1
857 1 62 ASN H 1 85 VAL H . . 4.140 3.178 2.836 3.835 . 0 0 "[ . 1 . 2]" 1
858 1 62 ASN H 1 85 VAL HB . . 4.420 2.758 2.112 4.513 0.093 2 0 "[ . 1 . 2]" 1
859 1 62 ASN H 1 86 ILE HA . . 4.010 3.714 3.168 4.082 0.072 18 0 "[ . 1 . 2]" 1
860 1 62 ASN H 1 87 ARG H . . 5.020 4.149 3.389 4.833 . 0 0 "[ . 1 . 2]" 1
861 1 62 ASN HA 1 63 GLY H . . 3.300 3.111 2.361 3.379 0.079 18 0 "[ . 1 . 2]" 1
862 1 62 ASN HA 1 78 ARG QG . . 5.650 4.886 4.580 5.166 . 0 0 "[ . 1 . 2]" 1
863 1 62 ASN HA 1 85 VAL H . . 3.790 3.393 2.751 3.863 0.073 11 0 "[ . 1 . 2]" 1
864 1 62 ASN HB2 1 63 GLY H . . 4.320 3.904 2.638 4.330 0.010 9 0 "[ . 1 . 2]" 1
865 1 62 ASN HB2 1 66 LEU MD1 . . 9.360 4.247 3.765 5.014 . 0 0 "[ . 1 . 2]" 1
866 1 62 ASN HB2 1 66 LEU MD2 . . 9.360 6.726 6.294 7.406 . 0 0 "[ . 1 . 2]" 1
867 1 62 ASN HB2 1 78 ARG HG2 . . 5.980 4.221 3.156 5.184 . 0 0 "[ . 1 . 2]" 1
868 1 62 ASN HB2 1 78 ARG HG3 . . 5.980 3.284 2.354 4.432 . 0 0 "[ . 1 . 2]" 1
869 1 62 ASN HB2 1 79 LEU MD1 . . 7.440 6.180 5.985 6.297 . 0 0 "[ . 1 . 2]" 1
870 1 62 ASN HB2 1 79 LEU MD2 . . 7.440 3.990 3.582 4.523 . 0 0 "[ . 1 . 2]" 1
871 1 62 ASN HB3 1 63 GLY H . . 4.320 4.101 2.822 4.388 0.068 10 0 "[ . 1 . 2]" 1
872 1 62 ASN HB3 1 66 LEU MD1 . . 9.360 5.353 4.685 5.702 . 0 0 "[ . 1 . 2]" 1
873 1 62 ASN HB3 1 66 LEU MD2 . . 9.360 7.692 7.094 7.841 . 0 0 "[ . 1 . 2]" 1
874 1 62 ASN HB3 1 78 ARG HG2 . . 5.980 5.594 3.920 6.045 0.065 5 0 "[ . 1 . 2]" 1
875 1 62 ASN HB3 1 78 ARG HG3 . . 5.980 4.459 2.862 5.292 . 0 0 "[ . 1 . 2]" 1
876 1 62 ASN HB3 1 79 LEU MD1 . . 7.440 5.871 5.491 6.196 . 0 0 "[ . 1 . 2]" 1
877 1 62 ASN HB3 1 79 LEU MD2 . . 7.440 3.947 3.108 4.325 . 0 0 "[ . 1 . 2]" 1
878 1 62 ASN QB 1 63 GLY H . . 4.070 3.553 2.423 3.795 . 0 0 "[ . 1 . 2]" 1
879 1 62 ASN QB 1 64 GLU H . . 5.260 3.701 3.233 4.551 . 0 0 "[ . 1 . 2]" 1
880 1 62 ASN QB 1 64 GLU QG . . 7.260 4.764 2.542 5.848 . 0 0 "[ . 1 . 2]" 1
881 1 62 ASN QB 1 66 LEU QD . . 7.230 4.026 3.604 4.247 . 0 0 "[ . 1 . 2]" 1
882 1 62 ASN QB 1 72 ILE QG . . 7.160 5.393 5.272 5.469 . 0 0 "[ . 1 . 2]" 1
883 1 62 ASN QB 1 78 ARG QG . . 5.330 3.024 2.261 3.668 . 0 0 "[ . 1 . 2]" 1
884 1 62 ASN QB 1 79 LEU QD . . 6.040 3.468 2.987 3.636 . 0 0 "[ . 1 . 2]" 1
885 1 62 ASN HD21 1 84 THR MG . . 6.430 3.606 2.331 5.184 . 0 0 "[ . 1 . 2]" 1
886 1 62 ASN HD22 1 84 THR MG . . 6.430 3.746 2.367 5.223 . 0 0 "[ . 1 . 2]" 1
887 1 62 ASN QD 1 78 ARG QB . . 6.310 2.974 1.967 4.559 . 0 0 "[ . 1 . 2]" 1
888 1 62 ASN QD 1 79 LEU H . . 6.370 4.183 2.800 5.735 . 0 0 "[ . 1 . 2]" 1
889 1 62 ASN QD 1 79 LEU QB . . 7.240 4.055 2.215 5.250 . 0 0 "[ . 1 . 2]" 1
890 1 62 ASN QD 1 84 THR MG . . 6.220 3.209 2.242 4.514 . 0 0 "[ . 1 . 2]" 1
891 1 63 GLY H 1 64 GLU H . . 3.390 2.302 1.613 3.065 . 0 0 "[ . 1 . 2]" 1
892 1 63 GLY HA2 1 64 GLU H . . 3.620 3.366 3.168 3.508 . 0 0 "[ . 1 . 2]" 1
893 1 63 GLY HA3 1 64 GLU H . . 3.620 3.486 3.361 3.562 . 0 0 "[ . 1 . 2]" 1
894 1 63 GLY QA 1 64 GLU QG . . 7.040 5.268 3.981 5.712 . 0 0 "[ . 1 . 2]" 1
895 1 64 GLU H 1 64 GLU QG . . 4.670 3.658 2.189 4.166 . 0 0 "[ . 1 . 2]" 1
896 1 64 GLU H 1 65 ARG H . . 4.290 4.289 4.190 4.354 0.064 5 0 "[ . 1 . 2]" 1
897 1 64 GLU HA 1 64 GLU HB2 . . 2.930 2.516 2.241 2.761 . 0 0 "[ . 1 . 2]" 1
898 1 64 GLU HA 1 64 GLU HB3 . . 2.930 2.863 2.322 3.011 0.081 11 0 "[ . 1 . 2]" 1
899 1 64 GLU QG 1 65 ARG H . . 5.790 3.282 2.732 4.303 . 0 0 "[ . 1 . 2]" 1
900 1 64 GLU QG 1 66 LEU H . . 6.380 5.129 4.587 5.722 . 0 0 "[ . 1 . 2]" 1
901 1 65 ARG H 1 65 ARG HB2 . . 3.050 2.663 2.443 2.951 . 0 0 "[ . 1 . 2]" 1
902 1 65 ARG H 1 65 ARG HB3 . . 3.050 2.175 2.075 2.448 . 0 0 "[ . 1 . 2]" 1
903 1 65 ARG H 1 65 ARG HG2 . . 5.500 4.397 4.326 4.471 . 0 0 "[ . 1 . 2]" 1
904 1 65 ARG H 1 65 ARG HG3 . . 5.500 4.534 4.432 4.644 . 0 0 "[ . 1 . 2]" 1
905 1 65 ARG H 1 66 LEU H . . 4.390 4.465 4.443 4.479 0.089 11 0 "[ . 1 . 2]" 1
906 1 65 ARG HA 1 65 ARG HG2 . . 4.170 2.773 2.379 2.914 . 0 0 "[ . 1 . 2]" 1
907 1 65 ARG HA 1 65 ARG HG3 . . 4.170 3.575 3.390 3.731 . 0 0 "[ . 1 . 2]" 1
908 1 65 ARG HA 1 65 ARG QG . . 3.890 2.679 2.343 2.805 . 0 0 "[ . 1 . 2]" 1
909 1 65 ARG HA 1 66 LEU H . . 2.620 2.267 2.143 2.344 . 0 0 "[ . 1 . 2]" 1
910 1 65 ARG QG 1 66 LEU H . . 5.330 3.446 3.258 3.577 . 0 0 "[ . 1 . 2]" 1
911 1 65 ARG QD 1 66 LEU H . . 6.380 4.602 3.357 5.456 . 0 0 "[ . 1 . 2]" 1
912 1 66 LEU H 1 66 LEU HG . . 3.580 3.498 3.374 3.650 0.070 4 0 "[ . 1 . 2]" 1
913 1 66 LEU H 1 67 GLN H . . 4.260 3.723 3.184 4.001 . 0 0 "[ . 1 . 2]" 1
914 1 66 LEU H 1 67 GLN QE . . 6.370 4.873 3.205 5.793 . 0 0 "[ . 1 . 2]" 1
915 1 66 LEU H 1 72 ILE MD . . 4.700 3.857 3.749 4.020 . 0 0 "[ . 1 . 2]" 1
916 1 66 LEU HA 1 66 LEU HG . . 3.210 2.939 2.791 3.061 . 0 0 "[ . 1 . 2]" 1
917 1 66 LEU HA 1 66 LEU MD1 . . 4.330 3.755 3.741 3.767 . 0 0 "[ . 1 . 2]" 1
918 1 66 LEU HA 1 66 LEU MD2 . . 4.330 2.118 2.032 2.220 . 0 0 "[ . 1 . 2]" 1
919 1 66 LEU HA 1 67 GLN H . . 2.620 2.268 2.085 2.460 . 0 0 "[ . 1 . 2]" 1
920 1 66 LEU QB 1 67 GLN H . . 4.980 3.689 3.497 3.922 . 0 0 "[ . 1 . 2]" 1
921 1 66 LEU QB 1 68 ASP H . . 4.640 3.703 3.257 4.022 . 0 0 "[ . 1 . 2]" 1
922 1 66 LEU QD 1 67 GLN H . . 6.700 3.805 3.567 4.186 . 0 0 "[ . 1 . 2]" 1
923 1 66 LEU QD 1 68 ASP QB . . 8.980 4.386 3.705 4.865 . 0 0 "[ . 1 . 2]" 1
924 1 67 GLN H 1 67 GLN HB2 . . 3.550 3.607 3.535 3.641 0.091 17 0 "[ . 1 . 2]" 1
925 1 67 GLN H 1 67 GLN HB3 . . 3.550 2.996 2.557 3.347 . 0 0 "[ . 1 . 2]" 1
926 1 67 GLN H 1 67 GLN QB . . 3.280 2.845 2.508 3.076 . 0 0 "[ . 1 . 2]" 1
927 1 67 GLN H 1 67 GLN HG2 . . 5.070 3.747 3.548 3.953 . 0 0 "[ . 1 . 2]" 1
928 1 67 GLN H 1 67 GLN HG3 . . 5.070 3.185 2.395 3.880 . 0 0 "[ . 1 . 2]" 1
929 1 67 GLN H 1 67 GLN QG . . 4.930 2.960 2.365 3.488 . 0 0 "[ . 1 . 2]" 1
930 1 67 GLN H 1 68 ASP H . . 3.460 3.094 2.542 3.546 0.086 8 0 "[ . 1 . 2]" 1
931 1 67 GLN H 1 68 ASP QB . . 5.110 3.791 3.408 4.429 . 0 0 "[ . 1 . 2]" 1
932 1 67 GLN H 1 71 ALA MB . . 5.780 3.739 3.043 4.490 . 0 0 "[ . 1 . 2]" 1
933 1 67 GLN HA 1 67 GLN QG . . 3.950 3.644 3.586 3.685 . 0 0 "[ . 1 . 2]" 1
934 1 67 GLN QB 1 68 ASP H . . 4.550 4.134 4.030 4.185 . 0 0 "[ . 1 . 2]" 1
935 1 68 ASP H 1 68 ASP HA . . 2.900 2.945 2.868 2.966 0.066 4 0 "[ . 1 . 2]" 1
936 1 68 ASP H 1 68 ASP HB2 . . 3.020 3.055 2.890 3.106 0.086 9 0 "[ . 1 . 2]" 1
937 1 68 ASP H 1 68 ASP HB3 . . 3.020 2.864 2.423 3.059 0.039 11 0 "[ . 1 . 2]" 1
938 1 68 ASP H 1 68 ASP QB . . 2.810 2.615 2.338 2.705 . 0 0 "[ . 1 . 2]" 1
939 1 68 ASP H 1 69 VAL H . . 4.370 4.385 4.235 4.436 0.066 7 0 "[ . 1 . 2]" 1
940 1 68 ASP H 1 69 VAL QG . . 7.620 5.380 5.058 5.550 . 0 0 "[ . 1 . 2]" 1
941 1 68 ASP H 1 71 ALA MB . . 5.010 2.300 1.905 2.827 . 0 0 "[ . 1 . 2]" 1
942 1 68 ASP H 1 72 ILE MD . . 4.640 3.111 2.736 3.651 . 0 0 "[ . 1 . 2]" 1
943 1 68 ASP HA 1 69 VAL H . . 2.520 2.274 2.119 2.417 . 0 0 "[ . 1 . 2]" 1
944 1 68 ASP HB2 1 71 ALA MB . . 5.630 3.309 2.817 3.685 . 0 0 "[ . 1 . 2]" 1
945 1 68 ASP HB3 1 71 ALA MB . . 5.630 2.232 2.061 2.544 . 0 0 "[ . 1 . 2]" 1
946 1 68 ASP QB 1 69 VAL H . . 4.430 3.428 3.261 3.694 . 0 0 "[ . 1 . 2]" 1
947 1 68 ASP QB 1 71 ALA H . . 4.430 2.620 2.082 3.303 . 0 0 "[ . 1 . 2]" 1
948 1 68 ASP QB 1 71 ALA MB . . 5.290 2.195 2.046 2.497 . 0 0 "[ . 1 . 2]" 1
949 1 69 VAL H 1 69 VAL HB . . 3.050 2.419 2.021 2.973 . 0 0 "[ . 1 . 2]" 1
950 1 69 VAL H 1 71 ALA H . . 4.110 3.746 3.468 4.176 0.066 12 0 "[ . 1 . 2]" 1
951 1 69 VAL HA 1 69 VAL HB . . 2.800 2.571 2.298 2.904 0.104 1 0 "[ . 1 . 2]" 1
952 1 69 VAL HA 1 70 GLY H . . 3.580 3.395 1.989 3.603 0.023 1 0 "[ . 1 . 2]" 1
953 1 69 VAL HA 1 71 ALA H . . 3.580 3.533 3.164 3.658 0.078 10 0 "[ . 1 . 2]" 1
954 1 69 VAL HA 1 73 LEU HG . . 4.300 4.374 4.358 4.384 0.084 12 0 "[ . 1 . 2]" 1
955 1 69 VAL HA 1 73 LEU MD1 . . 6.220 5.129 4.859 5.216 . 0 0 "[ . 1 . 2]" 1
956 1 69 VAL HA 1 73 LEU MD2 . . 6.220 2.967 2.774 3.118 . 0 0 "[ . 1 . 2]" 1
957 1 69 VAL HA 1 73 LEU QD . . 4.890 2.948 2.761 3.092 . 0 0 "[ . 1 . 2]" 1
958 1 69 VAL HB 1 70 GLY H . . 3.790 3.698 2.752 3.882 0.092 12 0 "[ . 1 . 2]" 1
959 1 69 VAL QG 1 70 GLY H . . 6.410 2.440 2.131 3.492 . 0 0 "[ . 1 . 2]" 1
960 1 69 VAL QG 1 71 ALA H . . 7.220 4.023 3.853 4.330 . 0 0 "[ . 1 . 2]" 1
961 1 69 VAL QG 1 73 LEU HG . . 7.440 3.710 3.456 3.897 . 0 0 "[ . 1 . 2]" 1
962 1 69 VAL QG 1 73 LEU QD . . 10.220 1.941 1.880 2.127 . 0 0 "[ . 1 . 2]" 1
963 1 70 GLY H 1 70 GLY HA2 . . 2.860 2.840 2.323 2.923 0.063 11 0 "[ . 1 . 2]" 1
964 1 70 GLY H 1 70 GLY HA3 . . 2.860 2.380 2.270 2.922 0.062 12 0 "[ . 1 . 2]" 1
965 1 70 GLY H 1 70 GLY QA . . 2.630 2.232 2.193 2.265 . 0 0 "[ . 1 . 2]" 1
966 1 70 GLY H 1 71 ALA H . . 2.710 2.597 2.398 2.754 0.044 17 0 "[ . 1 . 2]" 1
967 1 70 GLY H 1 71 ALA MB . . 5.540 4.373 4.165 4.608 . 0 0 "[ . 1 . 2]" 1
968 1 70 GLY HA2 1 71 ALA H . . 3.270 3.326 3.229 3.361 0.091 10 0 "[ . 1 . 2]" 1
969 1 70 GLY HA3 1 71 ALA H . . 3.270 3.182 2.860 3.298 0.028 19 0 "[ . 1 . 2]" 1
970 1 70 GLY QA 1 71 ALA H . . 3.070 2.891 2.710 2.918 . 0 0 "[ . 1 . 2]" 1
971 1 71 ALA H 1 71 ALA HA . . 2.900 2.959 2.938 2.968 0.068 12 0 "[ . 1 . 2]" 1
972 1 71 ALA H 1 71 ALA MB . . 3.460 2.457 2.398 2.518 . 0 0 "[ . 1 . 2]" 1
973 1 71 ALA H 1 72 ILE H . . 3.390 2.541 2.256 2.913 . 0 0 "[ . 1 . 2]" 1
974 1 71 ALA MB 1 72 ILE H . . 4.200 2.565 2.377 2.838 . 0 0 "[ . 1 . 2]" 1
975 1 72 ILE H 1 72 ILE HB . . 2.800 2.868 2.786 2.895 0.095 1 0 "[ . 1 . 2]" 1
976 1 72 ILE H 1 72 ILE HG12 . . 4.120 4.197 4.155 4.210 0.090 5 0 "[ . 1 . 2]" 1
977 1 72 ILE H 1 72 ILE HG13 . . 4.120 3.065 2.810 3.289 . 0 0 "[ . 1 . 2]" 1
978 1 72 ILE H 1 72 ILE QG . . 3.790 2.991 2.768 3.178 . 0 0 "[ . 1 . 2]" 1
979 1 72 ILE HA 1 72 ILE MD . . 4.570 3.802 3.683 3.948 . 0 0 "[ . 1 . 2]" 1
980 1 72 ILE HA 1 73 LEU H . . 2.710 2.242 2.128 2.330 . 0 0 "[ . 1 . 2]" 1
981 1 72 ILE HB 1 73 LEU HA . . 4.420 4.369 4.075 4.492 0.072 11 0 "[ . 1 . 2]" 1
982 1 72 ILE HB 1 86 ILE MD . . 5.810 4.650 4.343 4.887 . 0 0 "[ . 1 . 2]" 1
983 1 72 ILE MG 1 78 ARG HA . . 4.610 3.496 3.198 3.634 . 0 0 "[ . 1 . 2]" 1
984 1 72 ILE QG 1 73 LEU H . . 5.700 4.463 4.283 4.638 . 0 0 "[ . 1 . 2]" 1
985 1 72 ILE QG 1 77 HIS HE1 . . 4.920 4.302 4.230 4.459 . 0 0 "[ . 1 . 2]" 1
986 1 72 ILE QG 1 78 ARG HA . . 5.020 4.235 3.567 4.599 . 0 0 "[ . 1 . 2]" 1
987 1 73 LEU H 1 73 LEU QB . . 3.540 2.557 2.465 2.736 . 0 0 "[ . 1 . 2]" 1
988 1 73 LEU H 1 73 LEU HG . . 3.330 3.017 2.783 3.298 . 0 0 "[ . 1 . 2]" 1
989 1 73 LEU H 1 73 LEU MD1 . . 5.750 4.060 3.894 4.286 . 0 0 "[ . 1 . 2]" 1
990 1 73 LEU H 1 73 LEU MD2 . . 5.750 3.852 3.732 4.024 . 0 0 "[ . 1 . 2]" 1
991 1 73 LEU H 1 73 LEU QD . . 4.740 3.515 3.396 3.689 . 0 0 "[ . 1 . 2]" 1
992 1 73 LEU H 1 74 THR H . . 4.200 2.845 2.469 3.028 . 0 0 "[ . 1 . 2]" 1
993 1 73 LEU HA 1 73 LEU HG . . 4.200 3.011 2.966 3.076 . 0 0 "[ . 1 . 2]" 1
994 1 73 LEU HA 1 73 LEU MD1 . . 4.550 3.822 3.767 3.900 . 0 0 "[ . 1 . 2]" 1
995 1 73 LEU HA 1 73 LEU MD2 . . 4.550 2.180 2.107 2.264 . 0 0 "[ . 1 . 2]" 1
996 1 73 LEU HA 1 73 LEU QD . . 4.140 2.168 2.097 2.248 . 0 0 "[ . 1 . 2]" 1
997 1 73 LEU HA 1 74 THR MG . . 5.440 4.238 3.741 4.347 . 0 0 "[ . 1 . 2]" 1
998 1 73 LEU HA 1 77 HIS HD2 . . 5.040 5.122 5.111 5.131 0.091 18 0 "[ . 1 . 2]" 1
999 1 73 LEU HA 1 77 HIS HE1 . . 5.230 5.306 5.294 5.318 0.088 1 0 "[ . 1 . 2]" 1
1000 1 73 LEU QB 1 74 THR H . . 5.110 2.093 1.998 2.193 . 0 0 "[ . 1 . 2]" 1
1001 1 73 LEU QB 1 77 HIS HE1 . . 6.070 4.553 4.472 4.610 . 0 0 "[ . 1 . 2]" 1
1002 1 73 LEU HG 1 77 HIS HB2 . . 5.190 4.837 4.636 5.010 . 0 0 "[ . 1 . 2]" 1
1003 1 73 LEU HG 1 77 HIS HB3 . . 5.190 4.704 4.432 4.976 . 0 0 "[ . 1 . 2]" 1
1004 1 73 LEU HG 1 77 HIS QB . . 4.950 4.246 4.063 4.403 . 0 0 "[ . 1 . 2]" 1
1005 1 73 LEU HG 1 77 HIS HD2 . . 4.290 3.336 3.218 3.503 . 0 0 "[ . 1 . 2]" 1
1006 1 73 LEU HG 1 77 HIS HE1 . . 5.000 3.332 3.081 3.409 . 0 0 "[ . 1 . 2]" 1
1007 1 73 LEU MD1 1 74 THR H . . 6.310 4.110 3.976 4.270 . 0 0 "[ . 1 . 2]" 1
1008 1 73 LEU MD1 1 77 HIS HB2 . . 8.950 4.168 4.015 4.386 . 0 0 "[ . 1 . 2]" 1
1009 1 73 LEU MD1 1 77 HIS HB3 . . 8.950 4.800 4.684 4.942 . 0 0 "[ . 1 . 2]" 1
1010 1 73 LEU MD1 1 77 HIS HD2 . . 5.880 2.208 2.091 2.419 . 0 0 "[ . 1 . 2]" 1
1011 1 73 LEU MD1 1 77 HIS HE1 . . 5.630 4.308 4.120 4.454 . 0 0 "[ . 1 . 2]" 1
1012 1 73 LEU MD2 1 74 THR H . . 6.310 4.596 4.498 4.681 . 0 0 "[ . 1 . 2]" 1
1013 1 73 LEU MD2 1 77 HIS HB2 . . 8.950 5.584 5.451 5.730 . 0 0 "[ . 1 . 2]" 1
1014 1 73 LEU MD2 1 77 HIS HB3 . . 8.950 5.434 5.243 5.676 . 0 0 "[ . 1 . 2]" 1
1015 1 73 LEU MD2 1 77 HIS HD2 . . 5.880 4.504 4.422 4.634 . 0 0 "[ . 1 . 2]" 1
1016 1 73 LEU MD2 1 77 HIS HE1 . . 5.630 4.516 4.237 4.658 . 0 0 "[ . 1 . 2]" 1
1017 1 73 LEU QD 1 74 THR H . . 5.810 3.836 3.736 3.958 . 0 0 "[ . 1 . 2]" 1
1018 1 73 LEU QD 1 77 HIS QB . . 7.310 3.776 3.688 3.907 . 0 0 "[ . 1 . 2]" 1
1019 1 73 LEU QD 1 77 HIS HD2 . . 5.110 2.203 2.087 2.411 . 0 0 "[ . 1 . 2]" 1
1020 1 73 LEU QD 1 77 HIS HE1 . . 4.990 3.922 3.720 3.979 . 0 0 "[ . 1 . 2]" 1
1021 1 74 THR H 1 74 THR HB . . 3.710 3.421 3.280 3.560 . 0 0 "[ . 1 . 2]" 1
1022 1 74 THR H 1 77 HIS H . . 3.480 3.534 3.380 3.554 0.074 20 0 "[ . 1 . 2]" 1
1023 1 74 THR H 1 77 HIS QB . . 4.890 2.107 1.920 2.213 . 0 0 "[ . 1 . 2]" 1
1024 1 74 THR HA 1 74 THR HB . . 2.800 2.683 2.562 2.791 . 0 0 "[ . 1 . 2]" 1
1025 1 74 THR HA 1 74 THR MG . . 3.550 2.105 2.016 2.184 . 0 0 "[ . 1 . 2]" 1
1026 1 74 THR HA 1 75 ALA H . . 3.050 2.635 2.525 3.100 0.050 5 0 "[ . 1 . 2]" 1
1027 1 74 THR HA 1 75 ALA HA . . 4.290 4.310 4.177 4.361 0.071 5 0 "[ . 1 . 2]" 1
1028 1 74 THR HA 1 75 ALA MB . . 5.880 4.278 4.206 4.411 . 0 0 "[ . 1 . 2]" 1
1029 1 74 THR HB 1 75 ALA H . . 2.770 2.028 1.654 2.325 . 0 0 "[ . 1 . 2]" 1
1030 1 74 THR HB 1 76 GLU H . . 3.550 2.981 2.691 3.474 . 0 0 "[ . 1 . 2]" 1
1031 1 74 THR HB 1 77 HIS QB . . 4.550 4.149 3.765 4.200 . 0 0 "[ . 1 . 2]" 1
1032 1 74 THR MG 1 75 ALA H . . 4.880 3.017 2.690 3.411 . 0 0 "[ . 1 . 2]" 1
1033 1 74 THR MG 1 76 GLU H . . 5.660 4.546 4.266 4.840 . 0 0 "[ . 1 . 2]" 1
1034 1 74 THR MG 1 77 HIS H . . 6.400 4.860 4.622 5.017 . 0 0 "[ . 1 . 2]" 1
1035 1 75 ALA H 1 76 GLU H . . 3.580 2.925 2.327 3.177 . 0 0 "[ . 1 . 2]" 1
1036 1 75 ALA H 1 77 HIS H . . 4.170 3.882 3.333 4.048 . 0 0 "[ . 1 . 2]" 1
1037 1 75 ALA HA 1 77 HIS H . . 3.670 3.744 3.720 3.757 0.087 13 0 "[ . 1 . 2]" 1
1038 1 75 ALA HA 1 78 ARG H . . 3.330 3.380 3.167 3.406 0.076 14 0 "[ . 1 . 2]" 1
1039 1 75 ALA HA 1 78 ARG HB2 . . 3.950 3.631 3.286 3.940 . 0 0 "[ . 1 . 2]" 1
1040 1 75 ALA HA 1 78 ARG HB3 . . 3.950 3.359 2.831 4.013 0.063 9 0 "[ . 1 . 2]" 1
1041 1 75 ALA HA 1 78 ARG QG . . 5.420 4.794 4.350 4.947 . 0 0 "[ . 1 . 2]" 1
1042 1 75 ALA HA 1 79 LEU HG . . 4.510 3.329 2.905 3.917 . 0 0 "[ . 1 . 2]" 1
1043 1 75 ALA MB 1 76 GLU HA . . 4.790 3.915 3.714 3.953 . 0 0 "[ . 1 . 2]" 1
1044 1 75 ALA MB 1 76 GLU QB . . 6.160 3.806 3.461 4.506 . 0 0 "[ . 1 . 2]" 1
1045 1 75 ALA MB 1 77 HIS H . . 5.230 4.142 3.949 4.260 . 0 0 "[ . 1 . 2]" 1
1046 1 76 GLU H 1 77 HIS H . . 3.050 2.589 2.351 2.812 . 0 0 "[ . 1 . 2]" 1
1047 1 76 GLU HA 1 77 HIS H . . 3.360 3.374 3.293 3.423 0.063 20 0 "[ . 1 . 2]" 1
1048 1 76 GLU HA 1 78 ARG H . . 3.700 3.463 3.220 3.774 0.074 9 0 "[ . 1 . 2]" 1
1049 1 76 GLU HA 1 79 LEU HG . . 4.640 4.583 4.129 4.720 0.080 20 0 "[ . 1 . 2]" 1
1050 1 76 GLU QB 1 77 HIS H . . 4.550 3.532 3.155 3.899 . 0 0 "[ . 1 . 2]" 1
1051 1 76 GLU QB 1 80 GLU QG . . 7.040 5.505 5.359 5.699 . 0 0 "[ . 1 . 2]" 1
1052 1 76 GLU QG 1 77 HIS H . . 6.380 3.713 2.361 4.732 . 0 0 "[ . 1 . 2]" 1
1053 1 77 HIS H 1 77 HIS HB2 . . 3.080 2.565 2.397 2.747 . 0 0 "[ . 1 . 2]" 1
1054 1 77 HIS H 1 77 HIS HB3 . . 3.080 2.546 2.456 2.622 . 0 0 "[ . 1 . 2]" 1
1055 1 77 HIS H 1 77 HIS QB . . 2.860 2.272 2.181 2.329 . 0 0 "[ . 1 . 2]" 1
1056 1 77 HIS H 1 79 LEU QD . . 7.630 5.459 4.747 5.784 . 0 0 "[ . 1 . 2]" 1
1057 1 77 HIS H 1 98 TYR QD . . 7.640 6.333 5.742 6.896 . 0 0 "[ . 1 . 2]" 1
1058 1 77 HIS HA 1 77 HIS HD2 . . 3.800 3.857 3.746 3.886 0.086 20 0 "[ . 1 . 2]" 1
1059 1 77 HIS HB2 1 77 HIS HD2 . . 3.860 2.527 2.466 2.593 . 0 0 "[ . 1 . 2]" 1
1060 1 77 HIS HB2 1 78 ARG H . . 4.230 4.284 4.181 4.309 0.079 3 0 "[ . 1 . 2]" 1
1061 1 77 HIS HB3 1 77 HIS HD2 . . 3.860 3.537 3.458 3.670 . 0 0 "[ . 1 . 2]" 1
1062 1 77 HIS HB3 1 78 ARG H . . 4.230 3.497 3.150 3.700 . 0 0 "[ . 1 . 2]" 1
1063 1 77 HIS QB 1 77 HIS HD2 . . 3.530 2.475 2.416 2.543 . 0 0 "[ . 1 . 2]" 1
1064 1 77 HIS QB 1 78 ARG H . . 3.940 3.347 3.063 3.496 . 0 0 "[ . 1 . 2]" 1
1065 1 78 ARG H 1 78 ARG HB2 . . 3.730 2.806 2.566 3.061 . 0 0 "[ . 1 . 2]" 1
1066 1 78 ARG H 1 78 ARG HB3 . . 3.730 2.931 2.672 3.158 . 0 0 "[ . 1 . 2]" 1
1067 1 78 ARG H 1 78 ARG QB . . 3.250 2.544 2.375 2.681 . 0 0 "[ . 1 . 2]" 1
1068 1 78 ARG H 1 79 LEU H . . 3.890 2.510 2.352 2.674 . 0 0 "[ . 1 . 2]" 1
1069 1 78 ARG H 1 79 LEU HG . . 4.020 4.079 3.934 4.105 0.085 3 0 "[ . 1 . 2]" 1
1070 1 78 ARG HA 1 78 ARG HG2 . . 3.700 3.050 2.654 3.608 . 0 0 "[ . 1 . 2]" 1
1071 1 78 ARG HA 1 78 ARG HG3 . . 3.700 3.583 3.013 3.771 0.071 5 0 "[ . 1 . 2]" 1
1072 1 78 ARG QB 1 84 THR HB . . 5.360 4.198 3.931 4.604 . 0 0 "[ . 1 . 2]" 1
1073 1 78 ARG HG2 1 79 LEU MD1 . . 8.550 6.534 5.688 7.216 . 0 0 "[ . 1 . 2]" 1
1074 1 78 ARG HG2 1 79 LEU MD2 . . 8.550 4.178 3.379 6.242 . 0 0 "[ . 1 . 2]" 1
1075 1 78 ARG HG3 1 79 LEU MD1 . . 8.550 5.481 4.994 6.316 . 0 0 "[ . 1 . 2]" 1
1076 1 78 ARG HG3 1 79 LEU MD2 . . 8.550 3.044 2.354 4.937 . 0 0 "[ . 1 . 2]" 1
1077 1 78 ARG QG 1 79 LEU QD . . 6.920 2.939 2.307 4.441 . 0 0 "[ . 1 . 2]" 1
1078 1 78 ARG QG 1 86 ILE MD . . 6.570 4.820 4.610 4.893 . 0 0 "[ . 1 . 2]" 1
1079 1 79 LEU H 1 79 LEU HB2 . . 3.330 3.189 2.636 3.420 0.090 20 0 "[ . 1 . 2]" 1
1080 1 79 LEU H 1 79 LEU HB3 . . 3.330 3.258 2.887 3.418 0.088 12 0 "[ . 1 . 2]" 1
1081 1 79 LEU H 1 79 LEU QB . . 3.040 2.842 2.553 2.901 . 0 0 "[ . 1 . 2]" 1
1082 1 79 LEU H 1 79 LEU HG . . 4.040 1.986 1.839 2.200 . 0 0 "[ . 1 . 2]" 1
1083 1 79 LEU H 1 81 GLY H . . 4.540 3.768 3.333 4.546 0.006 9 0 "[ . 1 . 2]" 1
1084 1 79 LEU H 1 82 ARG H . . 4.400 4.456 4.336 4.494 0.094 20 0 "[ . 1 . 2]" 1
1085 1 79 LEU H 1 84 THR HA . . 5.000 5.031 4.519 5.090 0.090 2 0 "[ . 1 . 2]" 1
1086 1 79 LEU H 1 98 TYR QE . . 7.630 6.906 6.454 7.124 . 0 0 "[ . 1 . 2]" 1
1087 1 79 LEU HA 1 79 LEU HG . . 3.890 3.835 3.749 3.953 0.063 13 0 "[ . 1 . 2]" 1
1088 1 79 LEU HA 1 80 GLU H . . 2.960 2.600 2.310 2.713 . 0 0 "[ . 1 . 2]" 1
1089 1 79 LEU QB 1 80 GLU H . . 5.080 2.153 1.903 2.444 . 0 0 "[ . 1 . 2]" 1
1090 1 79 LEU QB 1 83 PHE H . . 4.850 4.113 3.709 4.410 . 0 0 "[ . 1 . 2]" 1
1091 1 79 LEU QB 1 84 THR HA . . 5.760 5.140 4.730 5.254 . 0 0 "[ . 1 . 2]" 1
1092 1 79 LEU HG 1 80 GLU H . . 5.190 4.482 4.121 4.753 . 0 0 "[ . 1 . 2]" 1
1093 1 79 LEU HG 1 84 THR HB . . 5.000 5.076 5.058 5.092 0.092 8 0 "[ . 1 . 2]" 1
1094 1 79 LEU QD 1 84 THR HA . . 6.670 2.129 1.916 3.066 . 0 0 "[ . 1 . 2]" 1
1095 1 79 LEU QD 1 84 THR HB . . 6.300 3.909 3.480 4.476 . 0 0 "[ . 1 . 2]" 1
1096 1 79 LEU QD 1 98 TYR QD . . 9.900 6.410 5.286 6.728 . 0 0 "[ . 1 . 2]" 1
1097 1 80 GLU H 1 80 GLU HG2 . . 5.040 2.383 2.138 2.736 . 0 0 "[ . 1 . 2]" 1
1098 1 80 GLU H 1 80 GLU HG3 . . 5.040 3.664 3.087 3.891 . 0 0 "[ . 1 . 2]" 1
1099 1 80 GLU H 1 80 GLU QG . . 4.600 2.354 2.101 2.676 . 0 0 "[ . 1 . 2]" 1
1100 1 80 GLU H 1 81 GLY H . . 3.390 2.993 2.778 3.424 0.034 9 0 "[ . 1 . 2]" 1
1101 1 80 GLU HA 1 81 GLY H . . 3.520 3.444 3.240 3.581 0.061 6 0 "[ . 1 . 2]" 1
1102 1 80 GLU HG2 1 82 ARG H . . 5.500 4.178 3.514 5.128 . 0 0 "[ . 1 . 2]" 1
1103 1 80 GLU HG3 1 82 ARG H . . 5.500 4.522 3.880 5.576 0.076 12 0 "[ . 1 . 2]" 1
1104 1 80 GLU QG 1 82 ARG H . . 5.220 3.817 3.292 4.500 . 0 0 "[ . 1 . 2]" 1
1105 1 81 GLY H 1 81 GLY HA2 . . 2.830 2.429 2.278 2.739 . 0 0 "[ . 1 . 2]" 1
1106 1 81 GLY H 1 81 GLY HA3 . . 2.830 2.913 2.880 2.923 0.093 20 0 "[ . 1 . 2]" 1
1107 1 81 GLY H 1 82 ARG QB . . 5.350 4.291 3.609 4.662 . 0 0 "[ . 1 . 2]" 1
1108 1 81 GLY H 1 82 ARG QG . . 6.380 4.266 2.890 5.796 . 0 0 "[ . 1 . 2]" 1
1109 1 81 GLY HA2 1 82 ARG H . . 3.580 2.412 2.259 2.666 . 0 0 "[ . 1 . 2]" 1
1110 1 81 GLY HA3 1 82 ARG H . . 3.580 3.547 3.473 3.630 0.050 9 0 "[ . 1 . 2]" 1
1111 1 82 ARG H 1 82 ARG QG . . 4.800 3.601 3.099 4.375 . 0 0 "[ . 1 . 2]" 1
1112 1 82 ARG H 1 83 PHE H . . 2.900 2.453 2.045 2.896 . 0 0 "[ . 1 . 2]" 1
1113 1 82 ARG HA 1 83 PHE H . . 3.600 3.588 3.538 3.653 0.053 11 0 "[ . 1 . 2]" 1
1114 1 82 ARG HA 1 98 TYR QD . . 7.640 4.711 3.565 5.837 . 0 0 "[ . 1 . 2]" 1
1115 1 82 ARG HA 1 98 TYR QE . . 6.950 3.197 2.103 5.967 . 0 0 "[ . 1 . 2]" 1
1116 1 82 ARG QG 1 83 PHE H . . 5.420 4.093 3.715 4.587 . 0 0 "[ . 1 . 2]" 1
1117 1 82 ARG QG 1 83 PHE QD . . 8.500 4.351 2.955 5.229 . 0 0 "[ . 1 . 2]" 1
1118 1 83 PHE H 1 83 PHE HB2 . . 3.750 2.661 2.466 2.801 . 0 0 "[ . 1 . 2]" 1
1119 1 83 PHE H 1 83 PHE HB3 . . 3.750 3.746 3.631 3.811 0.061 3 0 "[ . 1 . 2]" 1
1120 1 83 PHE H 1 83 PHE QB . . 3.440 2.608 2.429 2.734 . 0 0 "[ . 1 . 2]" 1
1121 1 83 PHE H 1 84 THR H . . 4.320 4.344 4.292 4.388 0.068 11 0 "[ . 1 . 2]" 1
1122 1 83 PHE HA 1 84 THR H . . 2.740 2.708 2.544 2.797 0.057 12 0 "[ . 1 . 2]" 1
1123 1 83 PHE HA 1 95 LEU QD . . 7.480 3.809 3.528 4.359 . 0 0 "[ . 1 . 2]" 1
1124 1 83 PHE HA 1 97 ARG HA . . 3.300 2.603 2.278 3.048 . 0 0 "[ . 1 . 2]" 1
1125 1 83 PHE HA 1 98 TYR H . . 4.590 4.344 3.950 4.663 0.073 5 0 "[ . 1 . 2]" 1
1126 1 83 PHE HA 1 98 TYR QD . . 7.640 5.156 2.510 5.685 . 0 0 "[ . 1 . 2]" 1
1127 1 83 PHE HA 1 98 TYR QE . . 7.140 4.975 2.276 5.593 . 0 0 "[ . 1 . 2]" 1
1128 1 83 PHE HB2 1 84 THR H . . 3.450 3.269 2.835 3.522 0.072 20 0 "[ . 1 . 2]" 1
1129 1 83 PHE HB2 1 95 LEU MD1 . . 8.860 3.893 2.454 6.065 . 0 0 "[ . 1 . 2]" 1
1130 1 83 PHE HB2 1 95 LEU MD2 . . 8.860 4.418 3.207 5.377 . 0 0 "[ . 1 . 2]" 1
1131 1 83 PHE HB3 1 84 THR H . . 3.450 2.146 2.014 2.264 . 0 0 "[ . 1 . 2]" 1
1132 1 83 PHE HB3 1 95 LEU MD1 . . 8.860 2.896 1.994 5.011 . 0 0 "[ . 1 . 2]" 1
1133 1 83 PHE HB3 1 95 LEU MD2 . . 8.860 3.427 2.040 4.407 . 0 0 "[ . 1 . 2]" 1
1134 1 83 PHE QB 1 84 THR H . . 3.280 2.116 1.978 2.230 . 0 0 "[ . 1 . 2]" 1
1135 1 83 PHE QB 1 95 LEU QD . . 6.960 2.154 1.947 3.155 . 0 0 "[ . 1 . 2]" 1
1136 1 83 PHE QD 1 84 THR H . . 7.280 3.778 3.223 4.287 . 0 0 "[ . 1 . 2]" 1
1137 1 83 PHE QD 1 95 LEU HG . . 7.620 3.894 2.486 4.864 . 0 0 "[ . 1 . 2]" 1
1138 1 83 PHE QD 1 95 LEU QD . . 9.010 2.319 1.978 3.080 . 0 0 "[ . 1 . 2]" 1
1139 1 83 PHE QD 1 97 ARG HA . . 6.910 3.746 2.903 4.341 . 0 0 "[ . 1 . 2]" 1
1140 1 83 PHE QD 1 97 ARG QB . . 7.910 2.353 2.017 2.727 . 0 0 "[ . 1 . 2]" 1
1141 1 83 PHE QE 1 95 LEU MD1 . . 8.650 3.857 2.918 4.514 . 0 0 "[ . 1 . 2]" 1
1142 1 83 PHE QE 1 95 LEU MD2 . . 8.650 3.358 2.500 4.279 . 0 0 "[ . 1 . 2]" 1
1143 1 83 PHE QE 1 95 LEU QD . . 8.030 3.134 2.459 3.791 . 0 0 "[ . 1 . 2]" 1
1144 1 83 PHE QE 1 97 ARG HA . . 7.620 5.313 4.886 5.773 . 0 0 "[ . 1 . 2]" 1
1145 1 83 PHE QE 1 97 ARG QB . . 7.170 3.116 2.702 3.506 . 0 0 "[ . 1 . 2]" 1
1146 1 83 PHE HZ 1 95 LEU QD . . 6.860 4.399 3.628 4.845 . 0 0 "[ . 1 . 2]" 1
1147 1 83 PHE HZ 1 97 ARG QB . . 5.300 4.702 4.097 4.853 . 0 0 "[ . 1 . 2]" 1
1148 1 84 THR H 1 84 THR HB . . 3.270 2.884 2.790 2.988 . 0 0 "[ . 1 . 2]" 1
1149 1 84 THR H 1 96 ILE H . . 3.610 2.753 2.625 3.218 . 0 0 "[ . 1 . 2]" 1
1150 1 84 THR H 1 96 ILE HB . . 3.890 3.361 2.774 3.720 . 0 0 "[ . 1 . 2]" 1
1151 1 84 THR H 1 96 ILE MG . . 5.380 4.246 3.930 4.456 . 0 0 "[ . 1 . 2]" 1
1152 1 84 THR H 1 96 ILE QG . . 6.100 4.807 4.186 5.547 . 0 0 "[ . 1 . 2]" 1
1153 1 84 THR HA 1 85 VAL H . . 2.650 2.240 2.017 2.588 . 0 0 "[ . 1 . 2]" 1
1154 1 84 THR HB 1 85 VAL H . . 4.450 4.411 4.103 4.526 0.076 13 0 "[ . 1 . 2]" 1
1155 1 84 THR HB 1 96 ILE H . . 4.760 4.265 3.910 4.824 0.064 5 0 "[ . 1 . 2]" 1
1156 1 84 THR HB 1 96 ILE HB . . 3.450 2.783 2.404 3.247 . 0 0 "[ . 1 . 2]" 1
1157 1 84 THR HB 1 96 ILE MG . . 5.260 3.389 2.951 3.884 . 0 0 "[ . 1 . 2]" 1
1158 1 84 THR HB 1 96 ILE QG . . 5.330 4.338 3.817 4.836 . 0 0 "[ . 1 . 2]" 1
1159 1 84 THR MG 1 85 VAL H . . 4.390 2.826 2.139 3.260 . 0 0 "[ . 1 . 2]" 1
1160 1 84 THR MG 1 86 ILE HA . . 6.220 4.075 3.845 4.551 . 0 0 "[ . 1 . 2]" 1
1161 1 84 THR MG 1 86 ILE QG . . 6.660 2.437 2.038 2.758 . 0 0 "[ . 1 . 2]" 1
1162 1 84 THR MG 1 86 ILE MD . . 6.440 2.522 2.127 2.854 . 0 0 "[ . 1 . 2]" 1
1163 1 84 THR MG 1 96 ILE HB . . 5.380 2.599 2.117 3.369 . 0 0 "[ . 1 . 2]" 1
1164 1 85 VAL H 1 85 VAL HB . . 2.990 2.542 2.023 3.028 0.038 2 0 "[ . 1 . 2]" 1
1165 1 85 VAL H 1 85 VAL MG1 . . 4.510 3.606 2.040 3.883 . 0 0 "[ . 1 . 2]" 1
1166 1 85 VAL H 1 85 VAL MG2 . . 4.510 2.581 2.078 3.885 . 0 0 "[ . 1 . 2]" 1
1167 1 85 VAL HA 1 86 ILE H . . 2.770 2.245 2.168 2.326 . 0 0 "[ . 1 . 2]" 1
1168 1 85 VAL HA 1 95 LEU HA . . 3.210 2.742 2.412 3.048 . 0 0 "[ . 1 . 2]" 1
1169 1 85 VAL HA 1 96 ILE H . . 3.860 3.725 3.045 3.930 0.070 15 0 "[ . 1 . 2]" 1
1170 1 85 VAL HB 1 86 ILE H . . 4.260 4.073 3.776 4.352 0.092 11 0 "[ . 1 . 2]" 1
1171 1 85 VAL MG1 1 93 TYR QD . . 8.670 4.076 2.882 5.520 . 0 0 "[ . 1 . 2]" 1
1172 1 85 VAL MG2 1 93 TYR QD . . 8.670 5.505 3.774 6.302 . 0 0 "[ . 1 . 2]" 1
1173 1 85 VAL QG 1 93 TYR QD . . 7.590 3.844 2.870 4.510 . 0 0 "[ . 1 . 2]" 1
1174 1 85 VAL QG 1 93 TYR QE . . 8.420 5.012 1.924 5.434 . 0 0 "[ . 1 . 2]" 1
1175 1 86 ILE H 1 86 ILE HB . . 3.170 2.349 2.218 2.500 . 0 0 "[ . 1 . 2]" 1
1176 1 86 ILE H 1 86 ILE MG . . 4.420 3.727 3.640 3.806 . 0 0 "[ . 1 . 2]" 1
1177 1 86 ILE H 1 86 ILE HG12 . . 5.070 3.015 2.753 3.197 . 0 0 "[ . 1 . 2]" 1
1178 1 86 ILE H 1 86 ILE HG13 . . 5.070 4.103 3.845 4.283 . 0 0 "[ . 1 . 2]" 1
1179 1 86 ILE H 1 86 ILE QG . . 4.750 2.942 2.697 3.111 . 0 0 "[ . 1 . 2]" 1
1180 1 86 ILE H 1 86 ILE MD . . 5.070 3.989 3.724 4.159 . 0 0 "[ . 1 . 2]" 1
1181 1 86 ILE H 1 94 TYR H . . 3.390 3.282 2.967 3.469 0.079 10 0 "[ . 1 . 2]" 1
1182 1 86 ILE H 1 94 TYR HB2 . . 5.410 4.022 3.785 4.430 . 0 0 "[ . 1 . 2]" 1
1183 1 86 ILE H 1 94 TYR HB3 . . 5.410 4.930 4.262 5.485 0.075 4 0 "[ . 1 . 2]" 1
1184 1 86 ILE H 1 94 TYR QD . . 7.640 5.182 3.735 5.825 . 0 0 "[ . 1 . 2]" 1
1185 1 86 ILE H 1 95 LEU HA . . 3.890 3.550 3.155 3.923 0.033 16 0 "[ . 1 . 2]" 1
1186 1 86 ILE HA 1 87 ARG H . . 2.740 2.260 2.171 2.402 . 0 0 "[ . 1 . 2]" 1
1187 1 86 ILE HB 1 87 ARG H . . 4.500 4.493 4.291 4.568 0.068 4 0 "[ . 1 . 2]" 1
1188 1 86 ILE HB 1 93 TYR QB . . 6.000 5.397 5.273 5.491 . 0 0 "[ . 1 . 2]" 1
1189 1 86 ILE HB 1 94 TYR H . . 5.040 2.788 2.218 3.088 . 0 0 "[ . 1 . 2]" 1
1190 1 86 ILE HB 1 94 TYR QB . . 6.260 2.390 2.140 3.052 . 0 0 "[ . 1 . 2]" 1
1191 1 86 ILE HB 1 94 TYR QD . . 7.640 3.832 2.097 4.759 . 0 0 "[ . 1 . 2]" 1
1192 1 86 ILE MG 1 87 ARG H . . 4.170 3.339 2.902 3.406 . 0 0 "[ . 1 . 2]" 1
1193 1 86 ILE MG 1 87 ARG HA . . 6.280 3.871 3.229 4.176 . 0 0 "[ . 1 . 2]" 1
1194 1 86 ILE MG 1 88 ARG HA . . 6.280 3.943 3.585 4.363 . 0 0 "[ . 1 . 2]" 1
1195 1 86 ILE MG 1 94 TYR H . . 5.600 3.187 2.859 3.440 . 0 0 "[ . 1 . 2]" 1
1196 1 86 ILE MG 1 94 TYR QD . . 8.390 3.153 2.077 4.549 . 0 0 "[ . 1 . 2]" 1
1197 1 86 ILE QG 1 87 ARG H . . 6.040 4.849 4.775 5.011 . 0 0 "[ . 1 . 2]" 1
1198 1 86 ILE QG 1 96 ILE HB . . 5.390 3.606 3.309 3.925 . 0 0 "[ . 1 . 2]" 1
1199 1 86 ILE MD 1 96 ILE HB . . 5.660 4.502 4.042 4.693 . 0 0 "[ . 1 . 2]" 1
1200 1 87 ARG H 1 87 ARG QB . . 3.700 2.456 2.195 2.746 . 0 0 "[ . 1 . 2]" 1
1201 1 87 ARG HA 1 87 ARG HD2 . . 5.500 4.495 3.781 4.797 . 0 0 "[ . 1 . 2]" 1
1202 1 87 ARG HA 1 87 ARG HD3 . . 5.500 4.520 3.476 5.120 . 0 0 "[ . 1 . 2]" 1
1203 1 87 ARG HA 1 88 ARG H . . 2.740 2.311 2.220 2.399 . 0 0 "[ . 1 . 2]" 1
1204 1 87 ARG HA 1 93 TYR HA . . 2.990 2.027 1.944 2.174 . 0 0 "[ . 1 . 2]" 1
1205 1 87 ARG HA 1 93 TYR QD . . 7.640 2.801 2.003 4.394 . 0 0 "[ . 1 . 2]" 1
1206 1 87 ARG HA 1 94 TYR H . . 3.640 3.696 3.540 3.731 0.091 14 0 "[ . 1 . 2]" 1
1207 1 87 ARG HA 1 94 TYR QD . . 7.640 4.846 4.190 5.554 . 0 0 "[ . 1 . 2]" 1
1208 1 87 ARG HB2 1 93 TYR QE . . 7.630 4.623 3.331 6.499 . 0 0 "[ . 1 . 2]" 1
1209 1 87 ARG HB3 1 93 TYR QE . . 7.630 4.551 2.411 6.465 . 0 0 "[ . 1 . 2]" 1
1210 1 87 ARG HG2 1 93 TYR HA . . 5.500 4.130 2.775 5.538 0.038 20 0 "[ . 1 . 2]" 1
1211 1 87 ARG HG3 1 93 TYR HA . . 5.500 4.125 2.988 5.012 . 0 0 "[ . 1 . 2]" 1
1212 1 87 ARG QG 1 88 ARG H . . 5.570 4.228 3.684 4.724 . 0 0 "[ . 1 . 2]" 1
1213 1 87 ARG QG 1 93 TYR HA . . 5.300 3.487 2.732 4.341 . 0 0 "[ . 1 . 2]" 1
1214 1 87 ARG HD2 1 93 TYR QE . . 7.570 4.290 2.124 5.904 . 0 0 "[ . 1 . 2]" 1
1215 1 87 ARG HD3 1 93 TYR QE . . 7.570 4.205 3.063 5.922 . 0 0 "[ . 1 . 2]" 1
1216 1 87 ARG QD 1 88 ARG H . . 6.380 5.590 4.257 5.805 . 0 0 "[ . 1 . 2]" 1
1217 1 87 ARG QD 1 93 TYR QE . . 7.440 3.585 2.114 4.982 . 0 0 "[ . 1 . 2]" 1
1218 1 88 ARG H 1 88 ARG HB2 . . 3.980 2.776 2.183 3.095 . 0 0 "[ . 1 . 2]" 1
1219 1 88 ARG H 1 88 ARG HB3 . . 3.980 2.415 2.052 3.057 . 0 0 "[ . 1 . 2]" 1
1220 1 88 ARG H 1 88 ARG QB . . 3.540 2.246 1.929 2.510 . 0 0 "[ . 1 . 2]" 1
1221 1 88 ARG H 1 88 ARG QD . . 6.260 4.621 4.345 5.007 . 0 0 "[ . 1 . 2]" 1
1222 1 88 ARG H 1 89 GLY H . . 4.320 4.145 3.708 4.368 0.048 5 0 "[ . 1 . 2]" 1
1223 1 88 ARG H 1 93 TYR HA . . 3.640 3.335 2.803 3.703 0.063 5 0 "[ . 1 . 2]" 1
1224 1 88 ARG H 1 94 TYR H . . 4.070 3.798 3.385 4.152 0.082 18 0 "[ . 1 . 2]" 1
1225 1 88 ARG H 1 94 TYR QD . . 6.860 3.791 3.154 5.164 . 0 0 "[ . 1 . 2]" 1
1226 1 88 ARG H 1 94 TYR QE . . 7.600 4.790 2.017 6.506 . 0 0 "[ . 1 . 2]" 1
1227 1 88 ARG HA 1 88 ARG HG2 . . 4.230 3.597 1.988 3.919 . 0 0 "[ . 1 . 2]" 1
1228 1 88 ARG HA 1 88 ARG HG3 . . 4.230 3.166 2.194 3.756 . 0 0 "[ . 1 . 2]" 1
1229 1 88 ARG HA 1 88 ARG HD2 . . 5.500 3.060 2.117 4.527 . 0 0 "[ . 1 . 2]" 1
1230 1 88 ARG HA 1 88 ARG HD3 . . 5.500 3.602 2.078 4.454 . 0 0 "[ . 1 . 2]" 1
1231 1 88 ARG HA 1 89 GLY H . . 2.830 2.262 2.137 2.442 . 0 0 "[ . 1 . 2]" 1
1232 1 88 ARG HB2 1 94 TYR QE . . 7.380 5.077 2.150 6.872 . 0 0 "[ . 1 . 2]" 1
1233 1 88 ARG HB3 1 94 TYR QE . . 7.380 3.887 2.105 5.862 . 0 0 "[ . 1 . 2]" 1
1234 1 88 ARG QB 1 94 TYR QE . . 7.100 3.751 2.010 5.552 . 0 0 "[ . 1 . 2]" 1
1235 1 88 ARG QG 1 94 TYR QE . . 8.420 4.687 2.501 6.144 . 0 0 "[ . 1 . 2]" 1
1236 1 91 LYS HA 1 91 LYS QD . . 4.080 2.823 2.126 3.785 . 0 0 "[ . 1 . 2]" 1
1237 1 91 LYS HA 1 92 LYS QE . . 5.050 4.448 4.092 4.631 . 0 0 "[ . 1 . 2]" 1
1238 1 91 LYS QG 1 93 TYR H . . 6.380 5.331 4.660 5.761 . 0 0 "[ . 1 . 2]" 1
1239 1 91 LYS QD 1 94 TYR QE . . 8.510 3.912 2.284 4.849 . 0 0 "[ . 1 . 2]" 1
1240 1 92 LYS H 1 92 LYS HB2 . . 3.110 2.947 2.229 3.170 0.060 11 0 "[ . 1 . 2]" 1
1241 1 92 LYS H 1 92 LYS HB3 . . 3.110 3.042 2.675 3.179 0.069 19 0 "[ . 1 . 2]" 1
1242 1 92 LYS H 1 92 LYS QB . . 2.890 2.659 2.124 2.767 . 0 0 "[ . 1 . 2]" 1
1243 1 92 LYS H 1 92 LYS QD . . 5.290 4.492 4.164 4.668 . 0 0 "[ . 1 . 2]" 1
1244 1 92 LYS H 1 93 TYR H . . 3.960 4.032 3.953 4.051 0.091 19 0 "[ . 1 . 2]" 1
1245 1 92 LYS HA 1 92 LYS HD2 . . 4.720 3.558 3.227 4.028 . 0 0 "[ . 1 . 2]" 1
1246 1 92 LYS HA 1 92 LYS HD3 . . 4.720 2.752 2.035 4.226 . 0 0 "[ . 1 . 2]" 1
1247 1 92 LYS HA 1 92 LYS QD . . 4.250 2.520 2.025 3.669 . 0 0 "[ . 1 . 2]" 1
1248 1 92 LYS HA 1 93 TYR H . . 3.390 2.829 2.552 3.052 . 0 0 "[ . 1 . 2]" 1
1249 1 92 LYS HA 1 93 TYR QD . . 7.640 3.685 2.702 5.955 . 0 0 "[ . 1 . 2]" 1
1250 1 92 LYS HB2 1 93 TYR H . . 3.730 3.442 3.297 3.557 . 0 0 "[ . 1 . 2]" 1
1251 1 92 LYS HB2 1 94 TYR QE . . 7.040 4.194 2.859 5.582 . 0 0 "[ . 1 . 2]" 1
1252 1 92 LYS HB3 1 93 TYR H . . 3.730 2.227 1.959 2.695 . 0 0 "[ . 1 . 2]" 1
1253 1 92 LYS HB3 1 94 TYR QE . . 7.040 3.733 2.611 5.030 . 0 0 "[ . 1 . 2]" 1
1254 1 92 LYS QB 1 93 TYR H . . 3.520 2.197 1.946 2.613 . 0 0 "[ . 1 . 2]" 1
1255 1 92 LYS QB 1 94 TYR QD . . 8.520 3.862 3.142 4.793 . 0 0 "[ . 1 . 2]" 1
1256 1 92 LYS QB 1 94 TYR QE . . 6.670 3.473 2.457 4.683 . 0 0 "[ . 1 . 2]" 1
1257 1 92 LYS QD 1 93 TYR H . . 6.310 3.565 2.578 4.127 . 0 0 "[ . 1 . 2]" 1
1258 1 93 TYR H 1 94 TYR H . . 4.210 3.977 3.686 4.307 0.097 11 0 "[ . 1 . 2]" 1
1259 1 93 TYR HA 1 94 TYR H . . 2.800 2.377 2.222 2.552 . 0 0 "[ . 1 . 2]" 1
1260 1 93 TYR HA 1 94 TYR QD . . 7.640 3.997 3.428 4.496 . 0 0 "[ . 1 . 2]" 1
1261 1 94 TYR H 1 94 TYR HB2 . . 3.390 2.346 2.210 2.940 . 0 0 "[ . 1 . 2]" 1
1262 1 94 TYR H 1 94 TYR HB3 . . 3.390 3.483 3.476 3.501 0.111 11 0 "[ . 1 . 2]" 1
1263 1 94 TYR H 1 94 TYR QB . . 3.120 2.305 2.187 2.793 . 0 0 "[ . 1 . 2]" 1
1264 1 94 TYR HA 1 95 LEU H . . 2.740 2.330 2.162 2.399 . 0 0 "[ . 1 . 2]" 1
1265 1 94 TYR HB2 1 95 LEU H . . 3.520 3.594 3.567 3.611 0.091 11 0 "[ . 1 . 2]" 1
1266 1 94 TYR HB3 1 95 LEU H . . 3.520 2.424 2.216 3.187 . 0 0 "[ . 1 . 2]" 1
1267 1 94 TYR QB 1 95 LEU H . . 3.330 2.377 2.196 2.976 . 0 0 "[ . 1 . 2]" 1
1268 1 94 TYR QD 1 95 LEU H . . 7.640 3.633 2.990 4.778 . 0 0 "[ . 1 . 2]" 1
1269 1 94 TYR QD 1 96 ILE MD . . 8.670 4.438 3.673 5.047 . 0 0 "[ . 1 . 2]" 1
1270 1 95 LEU H 1 95 LEU HB2 . . 3.170 2.978 2.194 3.237 0.067 18 0 "[ . 1 . 2]" 1
1271 1 95 LEU H 1 95 LEU HB3 . . 3.170 2.625 2.356 3.086 . 0 0 "[ . 1 . 2]" 1
1272 1 95 LEU H 1 95 LEU QB . . 2.870 2.429 2.150 2.628 . 0 0 "[ . 1 . 2]" 1
1273 1 95 LEU H 1 95 LEU HG . . 5.280 4.470 4.057 4.795 . 0 0 "[ . 1 . 2]" 1
1274 1 95 LEU HA 1 96 ILE H . . 2.680 2.161 2.107 2.249 . 0 0 "[ . 1 . 2]" 1
1275 1 95 LEU HB2 1 96 ILE H . . 4.230 4.179 4.056 4.313 0.083 5 0 "[ . 1 . 2]" 1
1276 1 95 LEU HB3 1 96 ILE H . . 4.230 4.082 3.403 4.244 0.014 1 0 "[ . 1 . 2]" 1
1277 1 95 LEU QB 1 96 ILE H . . 3.980 3.665 3.282 3.698 . 0 0 "[ . 1 . 2]" 1
1278 1 95 LEU HG 1 96 ILE H . . 4.230 3.425 2.986 4.186 . 0 0 "[ . 1 . 2]" 1
1279 1 95 LEU QD 1 97 ARG H . . 6.050 4.300 3.784 4.645 . 0 0 "[ . 1 . 2]" 1
1280 1 95 LEU QD 1 97 ARG QB . . 7.740 3.483 2.919 3.959 . 0 0 "[ . 1 . 2]" 1
1281 1 96 ILE H 1 96 ILE HB . . 3.300 2.602 2.463 2.731 . 0 0 "[ . 1 . 2]" 1
1282 1 96 ILE H 1 96 ILE QG . . 4.670 3.001 2.615 3.956 . 0 0 "[ . 1 . 2]" 1
1283 1 96 ILE H 1 96 ILE MD . . 5.190 3.552 2.663 4.223 . 0 0 "[ . 1 . 2]" 1
1284 1 96 ILE HA 1 97 ARG H . . 2.550 2.214 2.113 2.321 . 0 0 "[ . 1 . 2]" 1
1285 1 96 ILE HB 1 97 ARG H . . 4.230 4.273 4.129 4.309 0.079 10 0 "[ . 1 . 2]" 1
1286 1 97 ARG H 1 97 ARG HB2 . . 3.580 3.385 2.868 3.681 0.101 7 0 "[ . 1 . 2]" 1
1287 1 97 ARG H 1 97 ARG HB3 . . 3.580 3.298 3.015 3.499 . 0 0 "[ . 1 . 2]" 1
1288 1 97 ARG H 1 97 ARG QB . . 3.390 2.960 2.648 3.182 . 0 0 "[ . 1 . 2]" 1
1289 1 97 ARG H 1 98 TYR H . . 4.370 4.410 4.313 4.446 0.076 19 0 "[ . 1 . 2]" 1
1290 1 97 ARG HA 1 98 TYR H . . 2.680 2.537 2.410 2.617 . 0 0 "[ . 1 . 2]" 1
1291 1 97 ARG HB2 1 98 TYR H . . 3.520 2.809 2.151 3.619 0.099 8 0 "[ . 1 . 2]" 1
1292 1 97 ARG HB3 1 98 TYR H . . 3.520 3.181 2.498 3.601 0.081 15 0 "[ . 1 . 2]" 1
1293 1 97 ARG QB 1 98 TYR H . . 3.250 2.385 2.130 2.762 . 0 0 "[ . 1 . 2]" 1
1294 1 97 ARG QG 1 98 TYR H . . 5.730 2.995 1.597 4.102 . 0 0 "[ . 1 . 2]" 1
1295 1 98 TYR H 1 98 TYR HB2 . . 3.440 3.457 2.517 3.539 0.099 1 0 "[ . 1 . 2]" 1
1296 1 98 TYR H 1 98 TYR HB3 . . 3.440 3.478 3.295 3.543 0.103 5 0 "[ . 1 . 2]" 1
1297 1 98 TYR H 1 98 TYR QB . . 3.350 3.073 2.467 3.144 . 0 0 "[ . 1 . 2]" 1
1298 1 98 TYR HA 1 99 ALA H . . 2.660 2.304 2.105 2.388 . 0 0 "[ . 1 . 2]" 1
1299 1 98 TYR HB2 1 99 ALA H . . 3.390 2.575 2.321 3.484 0.094 17 0 "[ . 1 . 2]" 1
1300 1 98 TYR HB3 1 99 ALA H . . 3.390 3.343 2.670 3.452 0.062 13 0 "[ . 1 . 2]" 1
1301 1 98 TYR QB 1 99 ALA H . . 3.160 2.454 2.287 2.979 . 0 0 "[ . 1 . 2]" 1
1302 1 98 TYR QE 1 99 ALA H . . 7.630 6.296 5.969 6.575 . 0 0 "[ . 1 . 2]" 1
1303 1 99 ALA H 1 99 ALA HA . . 2.770 2.835 2.770 2.869 0.099 3 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 66
_Distance_constraint_stats_list.Viol_count 368
_Distance_constraint_stats_list.Viol_total 427.510
_Distance_constraint_stats_list.Viol_max 0.105
_Distance_constraint_stats_list.Viol_rms 0.0299
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0162
_Distance_constraint_stats_list.Viol_average_violations_only 0.0581
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 11 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ALA 0.112 0.057 14 0 "[ . 1 . 2]"
1 13 ALA 1.237 0.079 18 0 "[ . 1 . 2]"
1 14 GLU 1.172 0.089 13 0 "[ . 1 . 2]"
1 15 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLU 0.112 0.057 14 0 "[ . 1 . 2]"
1 17 GLN 1.237 0.079 18 0 "[ . 1 . 2]"
1 18 GLY 1.172 0.089 13 0 "[ . 1 . 2]"
1 19 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 PHE 0.958 0.074 8 0 "[ . 1 . 2]"
1 27 HIS 2.761 0.105 2 0 "[ . 1 . 2]"
1 33 PRO 1.576 0.089 7 0 "[ . 1 . 2]"
1 34 LEU 1.360 0.089 12 0 "[ . 1 . 2]"
1 36 GLU 0.103 0.044 1 0 "[ . 1 . 2]"
1 37 LEU 1.576 0.089 7 0 "[ . 1 . 2]"
1 38 LEU 1.760 0.089 12 0 "[ . 1 . 2]"
1 40 SER 0.103 0.044 1 0 "[ . 1 . 2]"
1 41 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLY 0.399 0.071 13 0 "[ . 1 . 2]"
1 46 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LYS 0.418 0.067 1 0 "[ . 1 . 2]"
1 48 ARG 2.286 0.100 3 0 "[ . 1 . 2]"
1 49 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ALA 1.529 0.094 20 0 "[ . 1 . 2]"
1 51 ARG 0.491 0.067 1 0 "[ . 1 . 2]"
1 52 GLU 2.905 0.100 3 0 "[ . 1 . 2]"
1 53 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ILE 1.529 0.094 20 0 "[ . 1 . 2]"
1 55 GLN 0.074 0.063 19 0 "[ . 1 . 2]"
1 56 ASN 0.619 0.076 4 0 "[ . 1 . 2]"
1 58 ALA 0.125 0.073 6 0 "[ . 1 . 2]"
1 59 ILE 2.749 0.097 8 0 "[ . 1 . 2]"
1 60 TYR 0.348 0.073 9 0 "[ . 1 . 2]"
1 61 VAL 0.072 0.031 18 0 "[ . 1 . 2]"
1 62 ASN 0.175 0.064 17 0 "[ . 1 . 2]"
1 64 GLU 0.072 0.031 18 0 "[ . 1 . 2]"
1 66 LEU 2.749 0.097 8 0 "[ . 1 . 2]"
1 84 THR 0.880 0.068 1 0 "[ . 1 . 2]"
1 85 VAL 0.175 0.064 17 0 "[ . 1 . 2]"
1 86 ILE 0.553 0.083 4 0 "[ . 1 . 2]"
1 87 ARG 0.348 0.073 9 0 "[ . 1 . 2]"
1 88 ARG 1.870 0.103 4 0 "[ . 1 . 2]"
1 89 GLY 0.125 0.073 6 0 "[ . 1 . 2]"
1 92 LYS 1.870 0.103 4 0 "[ . 1 . 2]"
1 94 TYR 0.553 0.083 4 0 "[ . 1 . 2]"
1 95 LEU 0.958 0.074 8 0 "[ . 1 . 2]"
1 96 ILE 0.880 0.068 1 0 "[ . 1 . 2]"
1 97 ARG 2.620 0.105 2 0 "[ . 1 . 2]"
1 99 ALA 0.141 0.053 20 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 11 THR O 1 15 ILE N . . 3.000 2.715 2.625 2.889 . 0 0 "[ . 1 . 2]" 2
2 1 11 THR O 1 15 ILE H . . 2.000 1.814 1.720 1.926 . 0 0 "[ . 1 . 2]" 2
3 1 12 ALA O 1 16 GLU N . . 3.000 2.898 2.791 3.054 0.054 14 0 "[ . 1 . 2]" 2
4 1 12 ALA O 1 16 GLU H . . 2.000 1.879 1.777 2.057 0.057 14 0 "[ . 1 . 2]" 2
5 1 13 ALA O 1 17 GLN N . . 3.000 2.990 2.835 3.067 0.067 18 0 "[ . 1 . 2]" 2
6 1 13 ALA O 1 17 GLN H . . 2.000 2.008 1.827 2.079 0.079 18 0 "[ . 1 . 2]" 2
7 1 14 GLU O 1 18 GLY N . . 3.000 2.758 2.690 2.794 . 0 0 "[ . 1 . 2]" 2
8 1 14 GLU O 1 18 GLY H . . 2.000 2.050 1.901 2.089 0.089 13 0 "[ . 1 . 2]" 2
9 1 15 ILE O 1 19 PHE N . . 3.000 2.804 2.720 2.867 . 0 0 "[ . 1 . 2]" 2
10 1 15 ILE O 1 19 PHE H . . 2.000 1.850 1.806 1.942 . 0 0 "[ . 1 . 2]" 2
11 1 25 PHE N 1 95 LEU O . . 3.000 2.862 2.763 2.945 . 0 0 "[ . 1 . 2]" 2
12 1 25 PHE H 1 95 LEU O . . 2.000 2.039 1.868 2.074 0.074 8 0 "[ . 1 . 2]" 2
13 1 25 PHE O 1 97 ARG N . . 3.000 2.828 2.754 2.917 . 0 0 "[ . 1 . 2]" 2
14 1 25 PHE O 1 97 ARG H . . 2.000 1.869 1.796 1.988 . 0 0 "[ . 1 . 2]" 2
15 1 27 HIS N 1 97 ARG O . . 3.000 3.033 3.011 3.048 0.048 4 0 "[ . 1 . 2]" 2
16 1 27 HIS H 1 97 ARG O . . 2.000 2.098 2.087 2.105 0.105 2 0 "[ . 1 . 2]" 2
17 1 27 HIS O 1 99 ALA N . . 3.000 2.800 2.703 2.956 . 0 0 "[ . 1 . 2]" 2
18 1 27 HIS O 1 99 ALA H . . 2.000 1.886 1.796 2.053 0.053 20 0 "[ . 1 . 2]" 2
19 1 33 PRO O 1 37 LEU N . . 3.000 2.965 2.849 3.032 0.032 7 0 "[ . 1 . 2]" 2
20 1 33 PRO O 1 37 LEU H . . 2.000 2.071 1.964 2.089 0.089 7 0 "[ . 1 . 2]" 2
21 1 34 LEU O 1 38 LEU N . . 3.000 2.966 2.844 3.036 0.036 12 0 "[ . 1 . 2]" 2
22 1 34 LEU O 1 38 LEU H . . 2.000 2.061 1.967 2.089 0.089 12 0 "[ . 1 . 2]" 2
23 1 36 GLU O 1 40 SER N . . 3.000 2.878 2.791 3.029 0.029 1 0 "[ . 1 . 2]" 2
24 1 36 GLU O 1 40 SER H . . 2.000 1.883 1.784 2.044 0.044 1 0 "[ . 1 . 2]" 2
25 1 37 LEU O 1 41 ALA N . . 3.000 2.778 2.727 2.826 . 0 0 "[ . 1 . 2]" 2
26 1 37 LEU O 1 41 ALA H . . 2.000 1.860 1.796 1.949 . 0 0 "[ . 1 . 2]" 2
27 1 38 LEU O 1 42 GLY N . . 3.000 2.824 2.717 2.929 . 0 0 "[ . 1 . 2]" 2
28 1 38 LEU O 1 42 GLY H . . 2.000 1.962 1.799 2.071 0.071 13 0 "[ . 1 . 2]" 2
29 1 46 SER O 1 50 ALA N . . 3.200 2.765 2.716 2.856 . 0 0 "[ . 1 . 2]" 2
30 1 46 SER O 1 50 ALA H . . 2.000 1.765 1.713 1.863 . 0 0 "[ . 1 . 2]" 2
31 1 47 LYS O 1 51 ARG N . . 3.000 2.931 2.791 3.051 0.051 9 0 "[ . 1 . 2]" 2
32 1 47 LYS O 1 51 ARG H . . 2.000 1.947 1.830 2.067 0.067 1 0 "[ . 1 . 2]" 2
33 1 48 ARG O 1 52 GLU N . . 3.000 3.028 2.995 3.055 0.055 18 0 "[ . 1 . 2]" 2
34 1 48 ARG O 1 52 GLU H . . 2.000 2.086 2.046 2.100 0.100 3 0 "[ . 1 . 2]" 2
35 1 49 GLN O 1 53 ASP N . . 3.000 2.709 2.647 2.806 . 0 0 "[ . 1 . 2]" 2
36 1 49 GLN O 1 53 ASP H . . 2.000 1.756 1.706 1.865 . 0 0 "[ . 1 . 2]" 2
37 1 50 ALA O 1 54 ILE N . . 3.000 2.842 2.768 2.914 . 0 0 "[ . 1 . 2]" 2
38 1 50 ALA O 1 54 ILE H . . 2.000 2.076 2.005 2.094 0.094 20 0 "[ . 1 . 2]" 2
39 1 51 ARG O 1 55 GLN N . . 3.000 2.826 2.704 3.010 0.010 19 0 "[ . 1 . 2]" 2
40 1 51 ARG O 1 55 GLN H . . 2.000 1.865 1.725 2.063 0.063 19 0 "[ . 1 . 2]" 2
41 1 52 GLU O 1 56 ASN N . . 3.000 2.819 2.737 2.897 . 0 0 "[ . 1 . 2]" 2
42 1 52 GLU O 1 56 ASN H . . 2.000 2.013 1.910 2.076 0.076 4 0 "[ . 1 . 2]" 2
43 1 58 ALA O 1 89 GLY N . . 3.000 2.786 2.662 3.014 0.014 7 0 "[ . 1 . 2]" 2
44 1 58 ALA O 1 89 GLY H . . 2.000 1.842 1.745 2.073 0.073 6 0 "[ . 1 . 2]" 2
45 1 59 ILE O 1 66 LEU N . . 3.000 3.057 3.020 3.073 0.073 13 0 "[ . 1 . 2]" 2
46 1 59 ILE O 1 66 LEU H . . 2.000 2.080 2.059 2.097 0.097 8 0 "[ . 1 . 2]" 2
47 1 60 TYR N 1 87 ARG O . . 3.000 2.921 2.823 3.032 0.032 9 0 "[ . 1 . 2]" 2
48 1 60 TYR H 1 87 ARG O . . 2.000 1.974 1.835 2.073 0.073 9 0 "[ . 1 . 2]" 2
49 1 60 TYR O 1 87 ARG N . . 3.000 2.809 2.705 2.941 . 0 0 "[ . 1 . 2]" 2
50 1 60 TYR O 1 87 ARG H . . 2.000 1.856 1.774 1.978 . 0 0 "[ . 1 . 2]" 2
51 1 61 VAL N 1 64 GLU O . . 3.000 2.762 2.678 2.851 . 0 0 "[ . 1 . 2]" 2
52 1 61 VAL H 1 64 GLU O . . 2.000 1.844 1.742 1.940 . 0 0 "[ . 1 . 2]" 2
53 1 61 VAL O 1 64 GLU N . . 3.000 2.831 2.717 3.031 0.031 18 0 "[ . 1 . 2]" 2
54 1 61 VAL O 1 64 GLU H . . 2.000 1.836 1.725 2.021 0.021 9 0 "[ . 1 . 2]" 2
55 1 62 ASN N 1 85 VAL O . . 3.000 2.880 2.770 3.041 0.041 17 0 "[ . 1 . 2]" 2
56 1 62 ASN H 1 85 VAL O . . 2.000 1.909 1.828 2.064 0.064 17 0 "[ . 1 . 2]" 2
57 1 84 THR N 1 96 ILE O . . 3.000 2.792 2.687 2.873 . 0 0 "[ . 1 . 2]" 2
58 1 84 THR H 1 96 ILE O . . 2.000 2.020 1.920 2.068 0.068 1 0 "[ . 1 . 2]" 2
59 1 84 THR O 1 96 ILE N . . 3.000 2.919 2.844 3.006 0.006 15 0 "[ . 1 . 2]" 2
60 1 84 THR O 1 96 ILE H . . 2.000 1.967 1.887 2.058 0.058 13 0 "[ . 1 . 2]" 2
61 1 86 ILE N 1 94 TYR O . . 3.000 2.833 2.779 3.018 0.018 11 0 "[ . 1 . 2]" 2
62 1 86 ILE H 1 94 TYR O . . 2.000 1.858 1.790 2.078 0.078 11 0 "[ . 1 . 2]" 2
63 1 86 ILE O 1 94 TYR N . . 3.000 2.847 2.771 2.897 . 0 0 "[ . 1 . 2]" 2
64 1 86 ILE O 1 94 TYR H . . 2.000 1.999 1.850 2.083 0.083 4 0 "[ . 1 . 2]" 2
65 1 88 ARG N 1 92 LYS O . . 3.000 2.938 2.854 3.015 0.015 10 0 "[ . 1 . 2]" 2
66 1 88 ARG H 1 92 LYS O . . 2.000 2.093 2.081 2.103 0.103 4 0 "[ . 1 . 2]" 2
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