NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
548756 |
2lrq   |
18390 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lrq
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 1293
_Distance_constraint_stats_list.Viol_count 567
_Distance_constraint_stats_list.Viol_total 645.594
_Distance_constraint_stats_list.Viol_max 0.734
_Distance_constraint_stats_list.Viol_rms 0.0333
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0050
_Distance_constraint_stats_list.Viol_average_violations_only 0.1139
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 5 THR 0.000 0.000 . 0 "[ . 1]"
1 6 GLY 0.397 0.154 9 0 "[ . 1]"
1 7 THR 0.541 0.114 8 0 "[ . 1]"
1 8 ASP 1.567 0.307 10 0 "[ . 1]"
1 9 ALA 1.117 0.307 10 0 "[ . 1]"
1 10 ASN 0.169 0.132 4 0 "[ . 1]"
1 11 THR 2.947 0.165 1 0 "[ . 1]"
1 12 LEU 1.069 0.154 4 0 "[ . 1]"
1 13 PHE 1.387 0.150 7 0 "[ . 1]"
1 14 VAL 3.536 0.418 2 0 "[ . 1]"
1 15 ASP 0.434 0.130 10 0 "[ . 1]"
1 16 GLY 1.112 0.132 3 0 "[ . 1]"
1 17 GLU 2.436 0.418 2 0 "[ . 1]"
1 18 ARG 0.873 0.250 7 0 "[ . 1]"
1 19 VAL 3.312 0.523 7 1 "[ . + 1]"
1 20 LEU 1.555 0.329 7 0 "[ . 1]"
1 21 CYS 1.086 0.243 4 0 "[ . 1]"
1 22 PHE 3.350 0.569 4 2 "[ +- 1]"
1 23 HIS 2.504 0.486 5 0 "[ . 1]"
1 26 LEU 9.472 0.734 3 2 "[ + . -]"
1 27 ILE 5.189 0.734 3 1 "[ + . 1]"
1 28 TYR 5.493 0.569 4 2 "[ +- 1]"
1 29 GLU 1.126 0.312 5 0 "[ . 1]"
1 30 ALA 0.000 0.000 . 0 "[ . 1]"
1 31 LYS 3.818 0.511 7 1 "[ . + 1]"
1 32 VAL 3.406 0.283 3 0 "[ . 1]"
1 33 LEU 4.254 0.446 8 0 "[ . 1]"
1 34 LYS 5.030 0.446 8 0 "[ . 1]"
1 35 THR 1.228 0.234 9 0 "[ . 1]"
1 36 LYS 1.207 0.251 3 0 "[ . 1]"
1 37 PRO 1.146 0.203 9 0 "[ . 1]"
1 38 ASP 1.820 0.203 9 0 "[ . 1]"
1 39 ALA 0.658 0.251 3 0 "[ . 1]"
1 40 THR 0.000 0.000 . 0 "[ . 1]"
1 41 PRO 0.000 0.000 . 0 "[ . 1]"
1 42 VAL 3.274 0.165 1 0 "[ . 1]"
1 43 GLU 1.909 0.155 4 0 "[ . 1]"
1 44 TYR 1.641 0.283 3 0 "[ . 1]"
1 45 TYR 2.187 0.384 8 0 "[ . 1]"
1 46 ILE 5.187 0.511 7 1 "[ . + 1]"
1 47 HIS 1.068 0.331 7 0 "[ . 1]"
1 48 TYR 0.112 0.081 3 0 "[ . 1]"
1 49 ALA 0.309 0.073 10 0 "[ . 1]"
1 50 GLY 0.000 0.000 . 0 "[ . 1]"
1 51 TRP 0.081 0.081 3 0 "[ . 1]"
1 53 LYS 0.000 0.000 . 0 "[ . 1]"
1 54 ASN 0.000 0.000 . 0 "[ . 1]"
1 55 TRP 0.180 0.180 4 0 "[ . 1]"
1 56 ASP 0.140 0.074 4 0 "[ . 1]"
1 57 GLU 0.304 0.074 4 0 "[ . 1]"
1 58 TRP 3.658 0.237 1 0 "[ . 1]"
1 59 VAL 1.013 0.256 2 0 "[ . 1]"
1 60 PRO 0.000 0.000 . 0 "[ . 1]"
1 61 GLU 0.000 0.000 . 0 "[ . 1]"
1 62 ASN 0.000 0.000 . 0 "[ . 1]"
1 63 ARG 0.569 0.208 2 0 "[ . 1]"
1 64 VAL 1.169 0.208 2 0 "[ . 1]"
1 65 LEU 2.516 0.523 7 1 "[ . + 1]"
1 66 LYS 0.563 0.110 4 0 "[ . 1]"
1 67 TYR 3.174 0.281 5 0 "[ . 1]"
1 68 ASN 0.777 0.300 7 0 "[ . 1]"
1 69 ASP 0.604 0.300 7 0 "[ . 1]"
1 70 ASP 0.000 0.000 . 0 "[ . 1]"
1 71 ASN 0.865 0.292 5 0 "[ . 1]"
1 72 VAL 3.267 0.292 5 0 "[ . 1]"
1 73 LYS 0.916 0.237 7 0 "[ . 1]"
1 74 ARG 1.943 0.276 4 0 "[ . 1]"
1 75 ARG 2.000 0.671 4 2 "[ +. -]"
1 76 GLN 2.979 0.671 4 2 "[ +. -]"
1 77 GLU 0.450 0.388 5 0 "[ . 1]"
1 78 LEU 0.948 0.174 10 0 "[ . 1]"
1 79 ALA 6.759 0.513 10 2 "[ . - +]"
1 80 ARG 3.652 0.501 8 1 "[ . + 1]"
1 81 GLN 0.575 0.388 5 0 "[ . 1]"
1 82 CYS 0.907 0.201 7 0 "[ . 1]"
1 83 GLY 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 THR MG 1 6 GLY H 5.720 . 5.720 3.607 2.588 4.327 . 0 0 "[ . 1]" 1
2 1 6 GLY QA 1 7 THR H 3.640 . 3.640 2.420 2.236 2.861 . 0 0 "[ . 1]" 1
3 1 6 GLY QA 1 7 THR MG 5.790 . 5.790 4.247 3.441 5.266 . 0 0 "[ . 1]" 1
4 1 6 GLY QA 1 8 ASP H 5.500 . 5.500 4.956 3.612 5.654 0.154 9 0 "[ . 1]" 1
5 1 7 THR H 1 7 THR HB 3.870 . 3.870 2.860 2.594 3.608 . 0 0 "[ . 1]" 1
6 1 7 THR H 1 7 THR MG 4.440 . 4.440 2.700 1.808 3.998 . 0 0 "[ . 1]" 1
7 1 7 THR H 1 8 ASP H 4.540 . 4.540 3.991 2.545 4.637 0.097 7 0 "[ . 1]" 1
8 1 7 THR HB 1 8 ASP H 4.690 . 4.690 3.938 2.438 4.519 . 0 0 "[ . 1]" 1
9 1 7 THR MG 1 8 ASP H 4.850 . 4.850 3.448 2.281 4.332 . 0 0 "[ . 1]" 1
10 1 7 THR MG 1 8 ASP HA 5.090 . 5.090 4.091 3.330 4.656 . 0 0 "[ . 1]" 1
11 1 7 THR MG 1 8 ASP QB 5.360 . 5.360 4.552 3.100 5.411 0.051 6 0 "[ . 1]" 1
12 1 7 THR MG 1 9 ALA H 5.810 . 5.810 4.768 2.718 5.924 0.114 8 0 "[ . 1]" 1
13 1 8 ASP H 1 8 ASP QB 3.760 . 3.760 2.707 2.225 3.315 . 0 0 "[ . 1]" 1
14 1 8 ASP H 1 9 ALA H 5.080 . 5.080 3.655 1.791 4.638 0.009 9 0 "[ . 1]" 1
15 1 8 ASP H 1 9 ALA MB 5.630 . 5.630 4.967 3.413 5.840 0.210 2 0 "[ . 1]" 1
16 1 8 ASP HA 1 9 ALA H 3.250 . 3.250 2.586 2.162 3.557 0.307 10 0 "[ . 1]" 1
17 1 8 ASP HA 1 9 ALA MB 5.310 . 5.310 4.319 3.973 5.035 . 0 0 "[ . 1]" 1
18 1 8 ASP QB 1 9 ALA HA 5.310 . 5.310 4.652 3.846 5.155 . 0 0 "[ . 1]" 1
19 1 8 ASP QB 1 9 ALA MB 5.200 . 5.200 4.218 3.425 5.051 . 0 0 "[ . 1]" 1
20 1 8 ASP HB2 1 9 ALA H 4.940 . 4.940 3.736 2.017 4.484 . 0 0 "[ . 1]" 1
21 1 8 ASP HB3 1 9 ALA H 4.940 . 4.940 3.825 3.097 4.616 . 0 0 "[ . 1]" 1
22 1 9 ALA H 1 9 ALA MB 3.220 . 3.220 2.352 2.210 2.889 . 0 0 "[ . 1]" 1
23 1 9 ALA H 1 10 ASN H 4.930 . 4.930 3.999 2.719 4.644 . 0 0 "[ . 1]" 1
24 1 9 ALA H 1 11 THR H 6.000 . 6.000 5.682 5.499 5.871 . 0 0 "[ . 1]" 1
25 1 9 ALA H 1 14 VAL QG 5.380 . 5.380 4.493 3.773 5.339 . 0 0 "[ . 1]" 1
26 1 9 ALA HA 1 10 ASN H 3.560 . 3.560 2.433 2.169 3.268 . 0 0 "[ . 1]" 1
27 1 9 ALA HA 1 11 THR H 4.910 . 4.910 4.006 3.204 4.556 . 0 0 "[ . 1]" 1
28 1 9 ALA HA 1 14 VAL QG 5.980 . 5.980 5.121 4.744 5.675 . 0 0 "[ . 1]" 1
29 1 9 ALA MB 1 10 ASN H 4.180 . 4.180 3.208 2.770 3.673 . 0 0 "[ . 1]" 1
30 1 9 ALA MB 1 10 ASN HA 4.730 . 4.730 4.585 4.475 4.862 0.132 4 0 "[ . 1]" 1
31 1 9 ALA MB 1 11 THR H 3.980 . 3.980 3.238 2.825 3.798 . 0 0 "[ . 1]" 1
32 1 9 ALA MB 1 11 THR HA 6.000 . 6.000 5.131 4.913 5.363 . 0 0 "[ . 1]" 1
33 1 9 ALA MB 1 11 THR HB 5.450 . 5.450 4.884 4.675 5.263 . 0 0 "[ . 1]" 1
34 1 9 ALA MB 1 14 VAL H 6.000 . 6.000 5.672 5.387 5.877 . 0 0 "[ . 1]" 1
35 1 9 ALA MB 1 37 PRO HD2 5.420 . 5.420 5.280 4.755 5.481 0.061 9 0 "[ . 1]" 1
36 1 9 ALA MB 1 37 PRO HD3 6.000 . 6.000 4.462 3.943 4.716 . 0 0 "[ . 1]" 1
37 1 10 ASN H 1 11 THR H 3.970 . 3.970 2.907 2.593 3.949 . 0 0 "[ . 1]" 1
38 1 10 ASN H 1 11 THR MG 5.690 . 5.690 4.278 3.864 5.489 . 0 0 "[ . 1]" 1
39 1 10 ASN QB 1 11 THR H 4.080 . 4.080 2.591 1.935 3.654 . 0 0 "[ . 1]" 1
40 1 11 THR H 1 11 THR HB 4.220 . 4.220 3.599 3.585 3.612 . 0 0 "[ . 1]" 1
41 1 11 THR H 1 11 THR MG 4.090 . 4.090 2.072 2.007 2.176 . 0 0 "[ . 1]" 1
42 1 11 THR H 1 12 LEU H 4.320 . 4.620 4.629 4.620 4.638 0.018 6 0 "[ . 1]" 1
43 1 11 THR H 1 12 LEU HA 6.000 . 6.000 5.634 5.576 5.669 . 0 0 "[ . 1]" 1
44 1 11 THR H 1 37 PRO QB 5.510 . 5.510 2.685 2.506 2.890 . 0 0 "[ . 1]" 1
45 1 11 THR H 1 37 PRO QG 5.510 . 5.510 4.381 4.179 4.628 . 0 0 "[ . 1]" 1
46 1 11 THR H 1 42 VAL MG1 6.000 . 6.000 5.507 5.366 5.672 . 0 0 "[ . 1]" 1
47 1 11 THR H 1 44 TYR QE 6.000 . 6.000 5.308 5.152 5.458 . 0 0 "[ . 1]" 1
48 1 11 THR HA 1 11 THR MG 3.700 . 3.700 2.392 2.369 2.406 . 0 0 "[ . 1]" 1
49 1 11 THR HA 1 12 LEU H 3.450 . 3.450 2.290 2.221 2.340 . 0 0 "[ . 1]" 1
50 1 11 THR HA 1 12 LEU HB2 6.000 . 6.000 4.595 4.260 4.863 . 0 0 "[ . 1]" 1
51 1 11 THR HA 1 12 LEU HB3 6.000 . 6.000 5.581 4.995 5.763 . 0 0 "[ . 1]" 1
52 1 11 THR HA 1 12 LEU QD 5.350 . 5.350 3.642 2.871 5.074 . 0 0 "[ . 1]" 1
53 1 11 THR HA 1 13 PHE H 5.050 . 5.050 3.843 3.732 3.905 . 0 0 "[ . 1]" 1
54 1 11 THR HA 1 42 VAL MG1 5.350 . 5.350 5.323 5.193 5.458 0.108 3 0 "[ . 1]" 1
55 1 11 THR HB 1 12 LEU H 4.110 . 4.110 2.719 2.570 2.943 . 0 0 "[ . 1]" 1
56 1 11 THR HB 1 12 LEU QD 5.980 . 5.980 4.757 4.141 5.728 . 0 0 "[ . 1]" 1
57 1 11 THR HB 1 13 PHE H 3.990 . 3.990 2.486 2.461 2.559 . 0 0 "[ . 1]" 1
58 1 11 THR HB 1 42 VAL MG1 4.930 . 4.930 4.460 4.279 4.672 . 0 0 "[ . 1]" 1
59 1 11 THR HB 1 44 TYR QE 4.710 . 4.710 2.670 2.447 2.893 . 0 0 "[ . 1]" 1
60 1 11 THR MG 1 12 LEU H 3.720 . 3.720 3.818 3.791 3.874 0.154 4 0 "[ . 1]" 1
61 1 11 THR MG 1 13 PHE H 4.620 . 4.620 4.135 4.096 4.223 . 0 0 "[ . 1]" 1
62 1 11 THR MG 1 13 PHE QD 5.130 . 5.130 4.332 3.732 4.733 . 0 0 "[ . 1]" 1
63 1 11 THR MG 1 37 PRO HA 3.890 . 3.890 2.213 2.188 2.232 . 0 0 "[ . 1]" 1
64 1 11 THR MG 1 37 PRO QB 4.520 . 4.520 2.224 2.188 2.278 . 0 0 "[ . 1]" 1
65 1 11 THR MG 1 37 PRO HD2 5.000 . 5.300 5.160 5.068 5.232 . 0 0 "[ . 1]" 1
66 1 11 THR MG 1 37 PRO QG 4.970 . 4.970 3.977 3.936 4.031 . 0 0 "[ . 1]" 1
67 1 11 THR MG 1 38 ASP H 4.820 . 4.820 4.876 4.833 4.894 0.074 10 0 "[ . 1]" 1
68 1 11 THR MG 1 42 VAL H 4.810 . 5.110 5.207 5.127 5.275 0.165 1 0 "[ . 1]" 1
69 1 11 THR MG 1 42 VAL MG1 3.470 . 3.470 2.595 2.425 2.736 . 0 0 "[ . 1]" 1
70 1 11 THR MG 1 44 TYR QE 4.200 . 4.200 2.461 2.410 2.524 . 0 0 "[ . 1]" 1
71 1 12 LEU H 1 12 LEU HB2 4.180 . 4.180 2.425 2.271 2.607 . 0 0 "[ . 1]" 1
72 1 12 LEU H 1 12 LEU HB3 4.180 . 4.180 3.447 2.776 3.658 . 0 0 "[ . 1]" 1
73 1 12 LEU H 1 12 LEU QD 4.150 . 4.150 2.821 2.200 3.723 . 0 0 "[ . 1]" 1
74 1 12 LEU H 1 13 PHE H 4.050 . 4.050 2.485 2.422 2.631 . 0 0 "[ . 1]" 1
75 1 12 LEU H 1 13 PHE QD 5.000 . 5.000 3.188 2.859 3.463 . 0 0 "[ . 1]" 1
76 1 12 LEU H 1 44 TYR QE 5.710 . 5.710 5.060 4.916 5.146 . 0 0 "[ . 1]" 1
77 1 12 LEU HA 1 12 LEU MD1 4.400 . 4.400 3.039 2.337 3.894 . 0 0 "[ . 1]" 1
78 1 12 LEU HA 1 12 LEU MD2 4.400 . 4.400 3.193 2.223 3.882 . 0 0 "[ . 1]" 1
79 1 12 LEU QB 1 13 PHE QB 5.700 . 5.700 4.627 4.471 4.839 . 0 0 "[ . 1]" 1
80 1 12 LEU HB2 1 13 PHE H 5.210 . 5.210 3.641 3.374 4.224 . 0 0 "[ . 1]" 1
81 1 12 LEU HB3 1 13 PHE H 5.210 . 5.210 4.076 3.164 4.410 . 0 0 "[ . 1]" 1
82 1 12 LEU QD 1 13 PHE H 4.710 . 4.710 4.201 3.970 4.555 . 0 0 "[ . 1]" 1
83 1 12 LEU QD 1 13 PHE QD 5.060 . 5.060 4.383 4.143 4.874 . 0 0 "[ . 1]" 1
84 1 12 LEU QD 1 13 PHE QE 5.390 . 5.390 3.930 3.509 4.477 . 0 0 "[ . 1]" 1
85 1 12 LEU MD1 1 13 PHE H 5.830 . 5.830 4.717 4.106 5.232 . 0 0 "[ . 1]" 1
86 1 12 LEU MD2 1 13 PHE H 5.830 . 5.830 4.960 4.561 5.390 . 0 0 "[ . 1]" 1
87 1 13 PHE H 1 13 PHE HB2 4.400 . 4.400 2.511 2.469 2.548 . 0 0 "[ . 1]" 1
88 1 13 PHE H 1 13 PHE HB3 4.400 . 4.400 3.694 3.650 3.733 . 0 0 "[ . 1]" 1
89 1 13 PHE H 1 13 PHE QD 4.240 . 4.240 2.585 2.235 2.722 . 0 0 "[ . 1]" 1
90 1 13 PHE H 1 14 VAL H 5.020 . 5.020 4.447 4.325 4.499 . 0 0 "[ . 1]" 1
91 1 13 PHE H 1 14 VAL QG 5.190 . 5.190 4.090 3.902 4.270 . 0 0 "[ . 1]" 1
92 1 13 PHE H 1 32 VAL QG 5.980 . 5.980 5.452 5.259 5.628 . 0 0 "[ . 1]" 1
93 1 13 PHE H 1 35 THR MG 5.120 . 5.420 5.177 4.768 5.474 0.054 8 0 "[ . 1]" 1
94 1 13 PHE H 1 44 TYR QE 4.200 . 4.200 4.036 3.810 4.192 . 0 0 "[ . 1]" 1
95 1 13 PHE HA 1 14 VAL H 3.560 . 3.560 2.157 2.140 2.214 . 0 0 "[ . 1]" 1
96 1 13 PHE HA 1 14 VAL MG1 5.330 . 5.630 4.733 3.506 5.534 . 0 0 "[ . 1]" 1
97 1 13 PHE HA 1 14 VAL MG2 5.330 . 5.330 3.503 3.394 3.628 . 0 0 "[ . 1]" 1
98 1 13 PHE QB 1 14 VAL H 4.260 . 4.260 3.132 2.843 3.485 . 0 0 "[ . 1]" 1
99 1 13 PHE QB 1 14 VAL HA 4.970 . 4.970 4.279 4.199 4.449 . 0 0 "[ . 1]" 1
100 1 13 PHE QB 1 14 VAL QG 5.810 . 5.810 4.179 3.939 4.449 . 0 0 "[ . 1]" 1
101 1 13 PHE QB 1 35 THR MG 4.420 . 4.420 3.829 2.697 4.402 . 0 0 "[ . 1]" 1
102 1 13 PHE QB 1 44 TYR QD 4.480 . 4.480 3.154 2.735 3.511 . 0 0 "[ . 1]" 1
103 1 13 PHE HB2 1 44 TYR QE 5.060 . 5.060 2.953 2.510 3.290 . 0 0 "[ . 1]" 1
104 1 13 PHE HB3 1 44 TYR QE 5.060 . 5.060 4.422 4.045 4.805 . 0 0 "[ . 1]" 1
105 1 13 PHE QD 1 14 VAL H 4.900 . 4.900 4.090 3.887 4.308 . 0 0 "[ . 1]" 1
106 1 13 PHE QD 1 14 VAL MG2 6.000 . 6.000 5.273 5.003 5.462 . 0 0 "[ . 1]" 1
107 1 13 PHE QD 1 19 VAL QG 4.360 . 4.360 2.547 2.372 2.917 . 0 0 "[ . 1]" 1
108 1 13 PHE QD 1 32 VAL HB 5.140 . 5.440 5.509 5.440 5.548 0.108 10 0 "[ . 1]" 1
109 1 13 PHE QD 1 32 VAL MG1 4.850 . 4.850 4.489 4.251 4.807 . 0 0 "[ . 1]" 1
110 1 13 PHE QD 1 32 VAL MG2 4.850 . 4.850 3.206 3.007 3.446 . 0 0 "[ . 1]" 1
111 1 13 PHE QD 1 61 GLU HA 5.840 . 5.840 4.878 4.597 5.307 . 0 0 "[ . 1]" 1
112 1 13 PHE QD 1 64 VAL MG1 5.210 . 5.210 3.047 2.882 3.197 . 0 0 "[ . 1]" 1
113 1 13 PHE QD 1 64 VAL MG2 5.210 . 5.210 4.776 4.568 5.031 . 0 0 "[ . 1]" 1
114 1 13 PHE QE 1 32 VAL QG 4.640 . 4.640 4.599 4.480 4.752 0.112 2 0 "[ . 1]" 1
115 1 13 PHE QE 1 64 VAL HA 6.000 . 6.000 5.271 5.043 5.401 . 0 0 "[ . 1]" 1
116 1 13 PHE QE 1 64 VAL HB 5.410 . 5.410 3.828 3.537 4.087 . 0 0 "[ . 1]" 1
117 1 13 PHE QE 1 64 VAL MG1 4.680 . 4.680 2.459 2.374 2.606 . 0 0 "[ . 1]" 1
118 1 13 PHE QE 1 64 VAL QG 4.000 . 4.000 2.450 2.364 2.591 . 0 0 "[ . 1]" 1
119 1 13 PHE QE 1 64 VAL MG2 4.680 . 4.680 4.663 4.421 4.830 0.150 7 0 "[ . 1]" 1
120 1 13 PHE QE 1 65 LEU H 6.000 . 6.000 4.531 3.957 4.892 . 0 0 "[ . 1]" 1
121 1 13 PHE QE 1 66 LYS HA 4.950 . 4.950 3.049 2.491 4.200 . 0 0 "[ . 1]" 1
122 1 14 VAL H 1 14 VAL HB 4.290 . 4.290 3.130 2.564 3.844 . 0 0 "[ . 1]" 1
123 1 14 VAL H 1 14 VAL MG1 4.350 . 4.350 3.521 2.908 3.945 . 0 0 "[ . 1]" 1
124 1 14 VAL H 1 14 VAL MG2 4.350 . 4.350 2.402 2.091 2.801 . 0 0 "[ . 1]" 1
125 1 14 VAL H 1 15 ASP H 4.590 . 4.590 4.467 4.433 4.541 . 0 0 "[ . 1]" 1
126 1 14 VAL H 1 17 GLU QG 4.390 . 4.390 4.100 3.445 4.459 0.069 7 0 "[ . 1]" 1
127 1 14 VAL H 1 19 VAL QG 5.260 . 5.260 4.787 4.622 5.517 0.257 7 0 "[ . 1]" 1
128 1 14 VAL H 1 32 VAL HB 4.570 . 4.870 4.862 4.610 5.024 0.154 4 0 "[ . 1]" 1
129 1 14 VAL H 1 32 VAL MG1 5.100 . 5.100 4.205 3.689 4.594 . 0 0 "[ . 1]" 1
130 1 14 VAL H 1 32 VAL MG2 5.100 . 5.100 4.212 3.987 4.498 . 0 0 "[ . 1]" 1
131 1 14 VAL H 1 35 THR HB 5.160 . 5.660 5.681 5.563 5.894 0.234 9 0 "[ . 1]" 1
132 1 14 VAL H 1 35 THR MG 5.640 . 5.640 4.496 3.568 4.900 . 0 0 "[ . 1]" 1
133 1 14 VAL HA 1 15 ASP H 3.310 . 3.310 2.237 2.180 2.315 . 0 0 "[ . 1]" 1
134 1 14 VAL HA 1 35 THR MG 5.000 . 5.000 2.640 2.367 2.918 . 0 0 "[ . 1]" 1
135 1 14 VAL HB 1 15 ASP H 3.300 . 3.900 3.425 2.530 4.030 0.130 10 0 "[ . 1]" 1
136 1 14 VAL HB 1 17 GLU H 3.940 . 4.740 4.743 4.458 5.158 0.418 2 0 "[ . 1]" 1
137 1 14 VAL QG 1 15 ASP H 3.420 . 3.420 2.729 2.183 3.326 . 0 0 "[ . 1]" 1
138 1 14 VAL QG 1 15 ASP QB 5.980 . 5.980 4.033 3.096 4.690 . 0 0 "[ . 1]" 1
139 1 14 VAL QG 1 16 GLY HA3 5.980 . 5.980 4.818 4.762 4.876 . 0 0 "[ . 1]" 1
140 1 14 VAL QG 1 17 GLU H 3.880 . 4.180 3.876 3.325 4.271 0.091 9 0 "[ . 1]" 1
141 1 14 VAL QG 1 17 GLU HA 4.960 . 5.260 4.735 3.877 5.285 0.025 9 0 "[ . 1]" 1
142 1 15 ASP H 1 15 ASP QB 3.390 . 3.390 2.401 2.217 2.509 . 0 0 "[ . 1]" 1
143 1 15 ASP H 1 16 GLY H 4.800 . 4.800 4.612 4.606 4.619 . 0 0 "[ . 1]" 1
144 1 15 ASP H 1 35 THR H 5.790 . 5.790 4.868 4.592 5.130 . 0 0 "[ . 1]" 1
145 1 15 ASP H 1 35 THR MG 4.500 . 4.500 2.756 2.521 3.163 . 0 0 "[ . 1]" 1
146 1 15 ASP HA 1 16 GLY H 3.560 . 3.560 2.205 2.188 2.233 . 0 0 "[ . 1]" 1
147 1 15 ASP HA 1 16 GLY HA3 5.900 . 5.900 4.528 4.523 4.532 . 0 0 "[ . 1]" 1
148 1 15 ASP HA 1 32 VAL QG 4.320 . 4.320 2.489 2.366 2.821 . 0 0 "[ . 1]" 1
149 1 15 ASP HA 1 34 LYS H 5.200 . 5.200 4.474 4.293 4.781 . 0 0 "[ . 1]" 1
150 1 15 ASP QB 1 16 GLY H 4.210 . 4.210 3.145 2.842 3.658 . 0 0 "[ . 1]" 1
151 1 15 ASP QB 1 16 GLY HA2 5.730 . 5.730 4.645 4.395 5.109 . 0 0 "[ . 1]" 1
152 1 15 ASP QB 1 16 GLY HA3 5.630 . 5.630 4.383 4.299 4.529 . 0 0 "[ . 1]" 1
153 1 15 ASP QB 1 32 VAL QG 5.980 . 5.980 3.553 3.153 3.916 . 0 0 "[ . 1]" 1
154 1 15 ASP QB 1 35 THR H 5.630 . 5.630 3.292 3.020 3.732 . 0 0 "[ . 1]" 1
155 1 16 GLY H 1 17 GLU H 3.910 . 3.910 2.540 2.449 2.663 . 0 0 "[ . 1]" 1
156 1 16 GLY H 1 31 LYS QD 5.370 . 5.370 4.425 3.039 5.267 . 0 0 "[ . 1]" 1
157 1 16 GLY H 1 31 LYS QE 6.000 . 6.000 4.895 4.686 5.201 . 0 0 "[ . 1]" 1
158 1 16 GLY H 1 32 VAL H 5.120 . 5.120 4.258 3.972 4.656 . 0 0 "[ . 1]" 1
159 1 16 GLY H 1 32 VAL HA 5.470 . 5.470 4.932 4.734 5.222 . 0 0 "[ . 1]" 1
160 1 16 GLY H 1 32 VAL HB 4.310 . 4.310 3.172 3.068 3.415 . 0 0 "[ . 1]" 1
161 1 16 GLY H 1 32 VAL MG1 5.170 . 5.170 3.613 3.413 3.804 . 0 0 "[ . 1]" 1
162 1 16 GLY H 1 32 VAL MG2 5.170 . 5.170 4.707 4.557 4.930 . 0 0 "[ . 1]" 1
163 1 16 GLY H 1 33 LEU H 5.710 . 5.710 4.835 4.635 5.049 . 0 0 "[ . 1]" 1
164 1 16 GLY H 1 33 LEU HA 5.020 . 5.020 3.449 3.203 3.679 . 0 0 "[ . 1]" 1
165 1 16 GLY H 1 33 LEU QB 5.230 . 5.530 5.299 5.047 5.531 0.001 8 0 "[ . 1]" 1
166 1 16 GLY H 1 33 LEU QD 5.530 . 5.530 4.576 4.352 4.986 . 0 0 "[ . 1]" 1
167 1 16 GLY H 1 34 LYS H 5.320 . 5.320 5.098 4.842 5.327 0.007 5 0 "[ . 1]" 1
168 1 16 GLY H 1 34 LYS HA 6.000 . 6.000 5.093 4.337 5.582 . 0 0 "[ . 1]" 1
169 1 16 GLY HA2 1 31 LYS QE 5.490 . 5.490 3.918 3.840 4.032 . 0 0 "[ . 1]" 1
170 1 16 GLY HA2 1 31 LYS QG 6.000 . 6.000 3.548 3.241 3.853 . 0 0 "[ . 1]" 1
171 1 16 GLY HA3 1 31 LYS QD 4.950 . 5.450 4.493 4.056 5.226 . 0 0 "[ . 1]" 1
172 1 16 GLY HA3 1 31 LYS QE 4.090 . 5.390 5.467 5.388 5.522 0.132 3 0 "[ . 1]" 1
173 1 16 GLY HA3 1 31 LYS QG 5.030 . 5.030 4.900 4.613 5.130 0.100 3 0 "[ . 1]" 1
174 1 16 GLY HA3 1 33 LEU QD 5.240 . 6.000 5.662 5.114 6.061 0.061 1 0 "[ . 1]" 1
175 1 17 GLU H 1 18 ARG H 4.750 . 4.750 4.579 4.544 4.622 . 0 0 "[ . 1]" 1
176 1 17 GLU H 1 31 LYS QG 6.000 . 6.000 4.184 3.829 4.666 . 0 0 "[ . 1]" 1
177 1 17 GLU H 1 32 VAL HB 3.810 . 3.810 2.936 2.659 3.138 . 0 0 "[ . 1]" 1
178 1 17 GLU H 1 32 VAL QG 4.870 . 4.870 3.663 3.464 3.827 . 0 0 "[ . 1]" 1
179 1 17 GLU HA 1 18 ARG H 3.380 . 3.380 2.186 2.163 2.225 . 0 0 "[ . 1]" 1
180 1 17 GLU HA 1 18 ARG QB 5.290 . 5.290 4.087 4.049 4.309 . 0 0 "[ . 1]" 1
181 1 17 GLU HA 1 19 VAL QG 5.700 . 5.700 4.715 4.440 5.992 0.292 7 0 "[ . 1]" 1
182 1 17 GLU HA 1 32 VAL H 6.000 . 6.000 5.227 5.089 5.353 . 0 0 "[ . 1]" 1
183 1 17 GLU QG 1 18 ARG H 3.750 . 3.750 2.567 2.309 2.780 . 0 0 "[ . 1]" 1
184 1 17 GLU QG 1 19 VAL H 5.610 . 5.610 4.723 4.516 5.037 . 0 0 "[ . 1]" 1
185 1 17 GLU QG 1 19 VAL MG1 5.090 . 5.090 2.846 2.386 5.273 0.183 7 0 "[ . 1]" 1
186 1 17 GLU QG 1 19 VAL MG2 5.090 . 5.090 4.616 4.389 4.826 . 0 0 "[ . 1]" 1
187 1 17 GLU QG 1 32 VAL H 4.840 . 5.140 5.070 4.931 5.249 0.109 7 0 "[ . 1]" 1
188 1 18 ARG H 1 18 ARG QB 3.530 . 3.530 2.294 2.252 2.357 . 0 0 "[ . 1]" 1
189 1 18 ARG H 1 18 ARG QD 5.280 . 5.280 4.499 2.214 4.984 . 0 0 "[ . 1]" 1
190 1 18 ARG H 1 18 ARG QG 5.120 . 5.120 3.978 3.524 4.107 . 0 0 "[ . 1]" 1
191 1 18 ARG H 1 19 VAL H 5.290 . 5.290 4.532 4.469 4.619 . 0 0 "[ . 1]" 1
192 1 18 ARG H 1 19 VAL QG 5.030 . 5.030 4.103 3.836 5.280 0.250 7 0 "[ . 1]" 1
193 1 18 ARG H 1 31 LYS HA 5.470 . 5.470 5.250 5.073 5.341 . 0 0 "[ . 1]" 1
194 1 18 ARG H 1 31 LYS QD 5.460 . 5.860 5.168 4.547 5.669 . 0 0 "[ . 1]" 1
195 1 18 ARG H 1 31 LYS QG 4.790 . 4.790 4.213 3.927 4.508 . 0 0 "[ . 1]" 1
196 1 18 ARG HA 1 19 VAL H 3.620 . 3.620 2.188 2.156 2.249 . 0 0 "[ . 1]" 1
197 1 18 ARG HA 1 19 VAL QG 4.820 . 4.820 3.325 3.247 3.821 . 0 0 "[ . 1]" 1
198 1 18 ARG HA 1 31 LYS H 5.960 . 5.960 5.382 5.177 5.503 . 0 0 "[ . 1]" 1
199 1 18 ARG HA 1 31 LYS HA 4.120 . 4.120 2.623 2.468 2.891 . 0 0 "[ . 1]" 1
200 1 18 ARG HA 1 31 LYS QD 5.190 . 5.190 4.026 3.590 4.606 . 0 0 "[ . 1]" 1
201 1 18 ARG HA 1 31 LYS QG 5.070 . 5.070 2.587 2.447 3.008 . 0 0 "[ . 1]" 1
202 1 18 ARG HA 1 32 VAL H 4.980 . 4.980 3.579 3.280 4.051 . 0 0 "[ . 1]" 1
203 1 18 ARG HA 1 67 TYR QD 6.000 . 6.000 5.885 5.326 6.083 0.083 4 0 "[ . 1]" 1
204 1 18 ARG QB 1 19 VAL H 4.430 . 4.430 3.691 2.864 3.809 . 0 0 "[ . 1]" 1
205 1 18 ARG QB 1 19 VAL HA 5.590 . 5.590 4.547 3.951 4.717 . 0 0 "[ . 1]" 1
206 1 18 ARG QB 1 19 VAL QG 5.050 . 5.050 4.233 4.174 4.488 . 0 0 "[ . 1]" 1
207 1 18 ARG QB 1 32 VAL H 6.000 . 6.000 5.397 5.089 5.891 . 0 0 "[ . 1]" 1
208 1 18 ARG QB 1 67 TYR QE 5.370 . 5.670 4.951 3.666 5.355 . 0 0 "[ . 1]" 1
209 1 18 ARG QD 1 31 LYS QG 5.180 . 5.680 4.910 3.218 5.730 0.050 8 0 "[ . 1]" 1
210 1 18 ARG QD 1 67 TYR QD 5.280 . 5.280 4.223 3.604 4.810 . 0 0 "[ . 1]" 1
211 1 18 ARG QD 1 67 TYR QE 4.860 . 4.860 4.070 3.620 4.979 0.119 7 0 "[ . 1]" 1
212 1 18 ARG QG 1 19 VAL H 4.020 . 4.020 2.857 2.647 3.645 . 0 0 "[ . 1]" 1
213 1 18 ARG QG 1 19 VAL QG 5.400 . 5.400 4.058 3.872 5.144 . 0 0 "[ . 1]" 1
214 1 18 ARG QG 1 29 GLU QG 4.740 . 4.740 3.600 3.047 4.610 . 0 0 "[ . 1]" 1
215 1 18 ARG QG 1 30 ALA H 5.360 . 5.360 4.143 3.812 5.346 . 0 0 "[ . 1]" 1
216 1 18 ARG QG 1 67 TYR HB3 5.870 . 5.870 4.794 4.309 5.333 . 0 0 "[ . 1]" 1
217 1 18 ARG QG 1 67 TYR QD 4.360 . 4.360 3.463 3.146 4.333 . 0 0 "[ . 1]" 1
218 1 18 ARG QG 1 67 TYR QE 4.720 . 4.720 4.199 3.595 4.532 . 0 0 "[ . 1]" 1
219 1 18 ARG HG2 1 19 VAL H 4.570 . 4.570 3.432 2.919 4.807 0.237 7 0 "[ . 1]" 1
220 1 18 ARG HG2 1 29 GLU QG 5.420 . 5.420 4.131 3.450 4.990 . 0 0 "[ . 1]" 1
221 1 18 ARG HG2 1 67 TYR QD 5.270 . 5.270 3.593 3.311 4.597 . 0 0 "[ . 1]" 1
222 1 18 ARG HG3 1 19 VAL H 4.570 . 4.570 3.144 2.761 3.775 . 0 0 "[ . 1]" 1
223 1 18 ARG HG3 1 29 GLU QG 5.420 . 5.420 4.003 3.332 5.421 0.001 10 0 "[ . 1]" 1
224 1 18 ARG HG3 1 67 TYR QD 5.270 . 5.270 4.919 3.381 5.300 0.030 7 0 "[ . 1]" 1
225 1 19 VAL H 1 19 VAL MG1 4.460 . 4.460 2.922 2.652 3.046 . 0 0 "[ . 1]" 1
226 1 19 VAL H 1 19 VAL MG2 4.460 . 4.460 2.381 2.145 4.104 . 0 0 "[ . 1]" 1
227 1 19 VAL H 1 20 LEU H 4.870 . 4.870 4.424 4.318 4.448 . 0 0 "[ . 1]" 1
228 1 19 VAL H 1 29 GLU QG 6.000 . 6.000 5.043 4.031 6.312 0.312 5 0 "[ . 1]" 1
229 1 19 VAL H 1 30 ALA H 4.430 . 4.430 3.903 3.479 4.081 . 0 0 "[ . 1]" 1
230 1 19 VAL H 1 31 LYS HA 4.490 . 4.490 2.497 2.320 2.936 . 0 0 "[ . 1]" 1
231 1 19 VAL H 1 31 LYS QB 5.050 . 5.050 4.058 3.875 4.338 . 0 0 "[ . 1]" 1
232 1 19 VAL H 1 31 LYS QG 5.510 . 5.510 3.970 3.762 4.408 . 0 0 "[ . 1]" 1
233 1 19 VAL H 1 32 VAL H 4.900 . 4.900 3.960 3.744 4.517 . 0 0 "[ . 1]" 1
234 1 19 VAL H 1 67 TYR QD 5.520 . 5.520 5.147 4.532 5.421 . 0 0 "[ . 1]" 1
235 1 19 VAL HA 1 64 VAL QG 5.590 . 5.590 4.634 4.506 4.792 . 0 0 "[ . 1]" 1
236 1 19 VAL HA 1 67 TYR H 4.790 . 4.790 3.617 3.292 3.990 . 0 0 "[ . 1]" 1
237 1 19 VAL HA 1 67 TYR HB2 5.900 . 5.900 2.574 2.447 2.914 . 0 0 "[ . 1]" 1
238 1 19 VAL HA 1 67 TYR HB3 5.050 . 5.050 4.079 3.936 4.363 . 0 0 "[ . 1]" 1
239 1 19 VAL HA 1 67 TYR QD 4.690 . 4.690 3.812 3.441 4.211 . 0 0 "[ . 1]" 1
240 1 19 VAL HB 1 20 LEU H 3.770 . 3.770 2.458 2.145 4.099 0.329 7 0 "[ . 1]" 1
241 1 19 VAL HB 1 46 ILE MD 5.030 . 5.030 4.710 4.335 5.198 0.168 4 0 "[ . 1]" 1
242 1 19 VAL HB 1 64 VAL QG 4.220 . 4.220 2.819 2.530 4.025 . 0 0 "[ . 1]" 1
243 1 19 VAL HB 1 65 LEU H 5.430 . 5.430 3.687 3.222 5.953 0.523 7 1 "[ . + 1]" 1
244 1 19 VAL HB 1 67 TYR H 5.640 . 5.640 4.919 4.594 5.265 . 0 0 "[ . 1]" 1
245 1 19 VAL QG 1 20 LEU H 3.750 . 3.750 2.983 2.272 3.130 . 0 0 "[ . 1]" 1
246 1 19 VAL QG 1 21 CYS H 5.290 . 5.290 4.562 4.150 4.758 . 0 0 "[ . 1]" 1
247 1 19 VAL QG 1 21 CYS HA 5.320 . 5.320 4.713 4.191 4.970 . 0 0 "[ . 1]" 1
248 1 19 VAL QG 1 21 CYS QB 4.550 . 4.550 3.824 3.385 4.551 0.001 2 0 "[ . 1]" 1
249 1 19 VAL QG 1 30 ALA H 4.600 . 4.600 3.899 3.617 4.059 . 0 0 "[ . 1]" 1
250 1 19 VAL QG 1 30 ALA MB 3.600 . 3.600 2.568 2.282 2.780 . 0 0 "[ . 1]" 1
251 1 19 VAL QG 1 31 LYS H 4.270 . 4.270 3.659 3.172 3.936 . 0 0 "[ . 1]" 1
252 1 19 VAL QG 1 31 LYS HA 4.520 . 4.520 2.501 2.284 2.882 . 0 0 "[ . 1]" 1
253 1 19 VAL QG 1 31 LYS QB 5.290 . 5.290 4.152 3.906 4.455 . 0 0 "[ . 1]" 1
254 1 19 VAL QG 1 31 LYS QE 5.980 . 5.980 5.882 5.698 6.034 0.054 1 0 "[ . 1]" 1
255 1 19 VAL QG 1 31 LYS QG 5.290 . 5.290 3.906 3.720 4.183 . 0 0 "[ . 1]" 1
256 1 19 VAL QG 1 32 VAL H 4.550 . 4.550 2.978 2.829 3.187 . 0 0 "[ . 1]" 1
257 1 19 VAL QG 1 32 VAL HA 5.690 . 5.690 3.772 3.660 3.888 . 0 0 "[ . 1]" 1
258 1 19 VAL QG 1 32 VAL HB 4.400 . 4.400 3.707 3.564 4.174 . 0 0 "[ . 1]" 1
259 1 19 VAL QG 1 32 VAL QG 3.650 . 3.650 1.854 1.800 2.033 . 0 0 "[ . 1]" 1
260 1 19 VAL QG 1 44 TYR HB2 5.980 . 5.980 5.635 5.209 5.861 . 0 0 "[ . 1]" 1
261 1 19 VAL QG 1 47 HIS H 5.820 . 5.820 4.812 4.292 5.149 . 0 0 "[ . 1]" 1
262 1 19 VAL QG 1 47 HIS HD2 5.980 . 5.980 5.763 5.397 6.311 0.331 7 0 "[ . 1]" 1
263 1 19 VAL QG 1 64 VAL HA 5.430 . 5.430 4.028 3.710 4.300 . 0 0 "[ . 1]" 1
264 1 19 VAL QG 1 64 VAL HB 5.960 . 5.960 4.550 4.191 4.711 . 0 0 "[ . 1]" 1
265 1 19 VAL QG 1 64 VAL QG 3.620 . 3.620 2.216 1.935 2.356 . 0 0 "[ . 1]" 1
266 1 19 VAL QG 1 65 LEU H 5.210 . 5.210 3.759 2.810 4.062 . 0 0 "[ . 1]" 1
267 1 19 VAL QG 1 67 TYR H 5.980 . 5.980 3.475 3.285 3.624 . 0 0 "[ . 1]" 1
268 1 19 VAL QG 1 67 TYR HB3 5.360 . 5.360 4.473 4.259 4.801 . 0 0 "[ . 1]" 1
269 1 19 VAL MG1 1 20 LEU H 4.390 . 4.390 3.647 3.479 3.714 . 0 0 "[ . 1]" 1
270 1 19 VAL MG1 1 31 LYS QG 6.000 . 6.000 4.603 4.120 5.021 . 0 0 "[ . 1]" 1
271 1 19 VAL MG2 1 20 LEU H 4.390 . 4.390 3.186 2.302 3.411 . 0 0 "[ . 1]" 1
272 1 19 VAL MG2 1 31 LYS QG 6.000 . 6.000 4.354 3.979 6.009 0.009 7 0 "[ . 1]" 1
273 1 20 LEU H 1 21 CYS H 5.420 . 5.420 4.483 4.453 4.526 . 0 0 "[ . 1]" 1
274 1 20 LEU H 1 27 ILE MG 6.000 . 6.000 5.138 5.027 5.277 . 0 0 "[ . 1]" 1
275 1 20 LEU H 1 64 VAL QG 4.570 . 4.570 4.064 3.857 4.293 . 0 0 "[ . 1]" 1
276 1 20 LEU H 1 65 LEU H 4.720 . 4.720 3.531 3.207 3.771 . 0 0 "[ . 1]" 1
277 1 20 LEU H 1 65 LEU QB 5.160 . 5.160 3.931 3.238 5.219 0.059 9 0 "[ . 1]" 1
278 1 20 LEU H 1 65 LEU HG 5.750 . 5.750 4.113 2.901 4.846 . 0 0 "[ . 1]" 1
279 1 20 LEU HA 1 20 LEU QD 3.950 . 3.950 2.206 2.200 2.218 . 0 0 "[ . 1]" 1
280 1 20 LEU HA 1 21 CYS H 3.750 . 3.750 2.174 2.143 2.199 . 0 0 "[ . 1]" 1
281 1 20 LEU HA 1 27 ILE MG 5.090 . 5.090 3.829 3.678 3.890 . 0 0 "[ . 1]" 1
282 1 20 LEU HA 1 30 ALA H 4.610 . 4.610 2.901 2.780 3.090 . 0 0 "[ . 1]" 1
283 1 20 LEU QB 1 21 CYS H 4.360 . 4.360 2.952 2.836 3.098 . 0 0 "[ . 1]" 1
284 1 20 LEU HB2 1 21 CYS H 5.130 . 5.130 3.980 3.873 4.092 . 0 0 "[ . 1]" 1
285 1 20 LEU HB3 1 21 CYS H 5.130 . 5.130 3.044 2.916 3.208 . 0 0 "[ . 1]" 1
286 1 20 LEU QD 1 21 CYS H 4.260 . 4.260 3.575 3.460 3.654 . 0 0 "[ . 1]" 1
287 1 20 LEU QD 1 28 TYR H 5.580 . 5.580 4.529 4.060 4.986 . 0 0 "[ . 1]" 1
288 1 20 LEU QD 1 29 GLU H 4.750 . 4.750 4.223 4.068 4.425 . 0 0 "[ . 1]" 1
289 1 20 LEU QD 1 29 GLU HA 3.910 . 3.910 2.322 2.211 2.478 . 0 0 "[ . 1]" 1
290 1 20 LEU QD 1 29 GLU QG 4.050 . 4.050 2.657 2.274 2.959 . 0 0 "[ . 1]" 1
291 1 20 LEU QD 1 30 ALA H 4.350 . 4.350 3.037 2.870 3.150 . 0 0 "[ . 1]" 1
292 1 20 LEU QD 1 66 LYS HA 5.980 . 5.980 5.448 5.005 5.875 . 0 0 "[ . 1]" 1
293 1 20 LEU QD 1 67 TYR H 4.660 . 5.060 4.892 4.519 5.121 0.061 9 0 "[ . 1]" 1
294 1 20 LEU QD 1 67 TYR HA 4.310 . 4.310 2.919 2.455 3.171 . 0 0 "[ . 1]" 1
295 1 20 LEU QD 1 67 TYR QD 3.800 . 3.800 2.290 2.170 2.384 . 0 0 "[ . 1]" 1
296 1 20 LEU QD 1 67 TYR QE 3.560 . 3.560 2.610 2.415 2.814 . 0 0 "[ . 1]" 1
297 1 20 LEU QD 1 68 ASN H 3.940 . 3.940 3.319 2.984 3.549 . 0 0 "[ . 1]" 1
298 1 20 LEU QD 1 71 ASN H 5.750 . 5.750 4.601 4.383 4.824 . 0 0 "[ . 1]" 1
299 1 20 LEU QD 1 71 ASN QB 3.760 . 3.760 2.261 2.080 2.685 . 0 0 "[ . 1]" 1
300 1 20 LEU QD 1 72 VAL H 4.620 . 4.620 3.715 3.378 3.884 . 0 0 "[ . 1]" 1
301 1 20 LEU QD 1 75 ARG H 4.970 . 4.970 4.803 4.623 5.014 0.044 5 0 "[ . 1]" 1
302 1 20 LEU QD 1 75 ARG QD 3.970 . 3.970 3.385 2.980 4.168 0.198 10 0 "[ . 1]" 1
303 1 20 LEU QD 1 75 ARG QG 5.850 . 5.850 4.703 4.399 4.873 . 0 0 "[ . 1]" 1
304 1 20 LEU MD1 1 21 CYS H 5.640 . 5.640 4.919 4.829 5.042 . 0 0 "[ . 1]" 1
305 1 20 LEU MD1 1 67 TYR H 5.900 . 5.900 5.223 4.727 5.507 . 0 0 "[ . 1]" 1
306 1 20 LEU MD1 1 67 TYR QD 4.720 . 4.720 2.888 2.515 3.058 . 0 0 "[ . 1]" 1
307 1 20 LEU MD1 1 72 VAL HA 4.640 . 4.640 3.280 2.612 3.563 . 0 0 "[ . 1]" 1
308 1 20 LEU MD1 1 75 ARG H 6.000 . 6.000 4.932 4.732 5.146 . 0 0 "[ . 1]" 1
309 1 20 LEU MD2 1 21 CYS H 5.640 . 5.640 3.672 3.542 3.761 . 0 0 "[ . 1]" 1
310 1 20 LEU MD2 1 67 TYR QD 4.720 . 4.720 2.408 2.316 2.531 . 0 0 "[ . 1]" 1
311 1 20 LEU MD2 1 72 VAL HA 4.640 . 4.640 4.639 4.222 4.833 0.193 10 0 "[ . 1]" 1
312 1 20 LEU HG 1 29 GLU QG 5.620 . 5.620 5.112 4.937 5.247 . 0 0 "[ . 1]" 1
313 1 20 LEU HG 1 67 TYR H 5.090 . 5.090 4.900 4.533 5.163 0.073 9 0 "[ . 1]" 1
314 1 20 LEU HG 1 67 TYR QD 5.900 . 5.900 2.530 2.447 2.744 . 0 0 "[ . 1]" 1
315 1 20 LEU HG 1 67 TYR QE 5.410 . 5.410 4.422 4.229 4.695 . 0 0 "[ . 1]" 1
316 1 21 CYS H 1 27 ILE HA 5.900 . 5.900 5.059 4.536 5.283 . 0 0 "[ . 1]" 1
317 1 21 CYS H 1 27 ILE MG 4.260 . 4.260 3.460 3.248 3.600 . 0 0 "[ . 1]" 1
318 1 21 CYS H 1 28 TYR H 4.150 . 4.150 3.447 3.017 3.826 . 0 0 "[ . 1]" 1
319 1 21 CYS H 1 28 TYR HA 5.790 . 5.790 4.996 4.806 5.169 . 0 0 "[ . 1]" 1
320 1 21 CYS H 1 28 TYR HB3 4.760 . 5.360 4.989 4.841 5.247 . 0 0 "[ . 1]" 1
321 1 21 CYS H 1 28 TYR QD 5.980 . 5.980 5.188 4.698 5.555 . 0 0 "[ . 1]" 1
322 1 21 CYS H 1 29 GLU H 5.810 . 5.810 4.900 4.701 5.266 . 0 0 "[ . 1]" 1
323 1 21 CYS H 1 29 GLU HA 4.990 . 4.990 3.630 3.366 4.235 . 0 0 "[ . 1]" 1
324 1 21 CYS H 1 30 ALA H 4.970 . 4.970 3.939 3.668 4.291 . 0 0 "[ . 1]" 1
325 1 21 CYS H 1 30 ALA MB 4.680 . 4.680 3.220 3.067 3.434 . 0 0 "[ . 1]" 1
326 1 21 CYS H 1 46 ILE MG 5.620 . 5.620 5.340 5.011 5.585 . 0 0 "[ . 1]" 1
327 1 21 CYS H 1 64 VAL QG 5.980 . 5.980 5.691 5.320 6.047 0.067 1 0 "[ . 1]" 1
328 1 21 CYS HA 1 22 PHE H 3.890 . 3.890 2.150 2.137 2.168 . 0 0 "[ . 1]" 1
329 1 21 CYS HA 1 22 PHE QE 5.750 . 5.750 4.852 4.605 5.063 . 0 0 "[ . 1]" 1
330 1 21 CYS HA 1 46 ILE MG 5.940 . 5.940 4.800 4.381 5.287 . 0 0 "[ . 1]" 1
331 1 21 CYS HA 1 64 VAL HA 4.820 . 4.820 3.829 3.465 4.309 . 0 0 "[ . 1]" 1
332 1 21 CYS HA 1 64 VAL MG1 6.000 . 6.000 4.925 4.435 5.376 . 0 0 "[ . 1]" 1
333 1 21 CYS HA 1 64 VAL QG 4.950 . 4.950 4.352 3.960 4.759 . 0 0 "[ . 1]" 1
334 1 21 CYS HA 1 64 VAL MG2 6.000 . 6.000 4.868 4.294 5.401 . 0 0 "[ . 1]" 1
335 1 21 CYS HA 1 65 LEU H 4.720 . 4.720 4.129 3.369 4.651 . 0 0 "[ . 1]" 1
336 1 21 CYS HA 1 65 LEU QB 5.870 . 5.870 4.740 3.699 6.091 0.221 6 0 "[ . 1]" 1
337 1 21 CYS HA 1 65 LEU QD 5.980 . 5.980 4.657 3.184 5.599 . 0 0 "[ . 1]" 1
338 1 21 CYS QB 1 22 PHE H 4.480 . 4.480 3.834 3.498 3.929 . 0 0 "[ . 1]" 1
339 1 21 CYS QB 1 28 TYR H 5.710 . 5.710 4.278 3.906 4.514 . 0 0 "[ . 1]" 1
340 1 21 CYS QB 1 28 TYR HB2 5.820 . 5.820 3.412 3.120 3.784 . 0 0 "[ . 1]" 1
341 1 21 CYS QB 1 30 ALA H 5.380 . 5.380 4.567 4.279 4.922 . 0 0 "[ . 1]" 1
342 1 21 CYS QB 1 31 LYS H 5.870 . 5.870 5.390 5.134 5.856 . 0 0 "[ . 1]" 1
343 1 21 CYS QB 1 46 ILE MD 4.600 . 5.100 4.873 4.261 5.343 0.243 4 0 "[ . 1]" 1
344 1 21 CYS QB 1 48 TYR QE 4.870 . 4.870 2.913 2.505 3.425 . 0 0 "[ . 1]" 1
345 1 21 CYS HB2 1 22 PHE H 5.300 . 5.300 4.387 4.246 4.452 . 0 0 "[ . 1]" 1
346 1 21 CYS HB2 1 30 ALA MB 4.320 . 4.320 2.465 2.217 2.963 . 0 0 "[ . 1]" 1
347 1 21 CYS HB3 1 22 PHE H 5.300 . 5.300 4.246 3.663 4.379 . 0 0 "[ . 1]" 1
348 1 21 CYS HB3 1 30 ALA MB 4.320 . 4.320 2.750 2.375 3.721 . 0 0 "[ . 1]" 1
349 1 22 PHE H 1 22 PHE QE 4.910 . 4.910 3.908 3.847 3.987 . 0 0 "[ . 1]" 1
350 1 22 PHE H 1 28 TYR H 5.850 . 5.850 4.666 4.502 4.919 . 0 0 "[ . 1]" 1
351 1 22 PHE H 1 28 TYR QD 5.060 . 5.460 5.314 5.088 5.479 0.019 9 0 "[ . 1]" 1
352 1 22 PHE H 1 63 ARG HA 6.000 . 6.000 5.028 4.399 5.532 . 0 0 "[ . 1]" 1
353 1 22 PHE H 1 63 ARG QG 5.120 . 5.120 4.025 3.365 5.288 0.168 2 0 "[ . 1]" 1
354 1 22 PHE H 1 64 VAL HA 5.370 . 5.370 5.020 4.512 5.431 0.061 2 0 "[ . 1]" 1
355 1 22 PHE H 1 64 VAL QG 5.980 . 5.980 5.481 5.126 5.857 . 0 0 "[ . 1]" 1
356 1 22 PHE H 1 65 LEU H 5.790 . 5.790 5.246 4.576 5.801 0.011 10 0 "[ . 1]" 1
357 1 22 PHE H 1 65 LEU QD 5.980 . 5.980 4.407 3.267 5.167 . 0 0 "[ . 1]" 1
358 1 22 PHE HA 1 23 HIS H 3.830 . 3.830 2.592 2.246 3.556 . 0 0 "[ . 1]" 1
359 1 22 PHE HA 1 27 ILE H 5.920 . 5.920 5.179 4.798 5.460 . 0 0 "[ . 1]" 1
360 1 22 PHE HA 1 27 ILE HA 4.750 . 4.750 2.484 2.317 2.694 . 0 0 "[ . 1]" 1
361 1 22 PHE HA 1 27 ILE MD 5.880 . 5.880 5.214 4.595 5.498 . 0 0 "[ . 1]" 1
362 1 22 PHE HA 1 27 ILE MG 5.490 . 5.490 3.507 3.416 3.679 . 0 0 "[ . 1]" 1
363 1 22 PHE HA 1 28 TYR H 4.790 . 4.790 3.026 2.703 3.699 . 0 0 "[ . 1]" 1
364 1 22 PHE HA 1 28 TYR QE 5.140 . 5.140 4.402 4.296 4.601 . 0 0 "[ . 1]" 1
365 1 22 PHE QB 1 23 HIS H 4.330 . 4.330 2.459 2.072 2.779 . 0 0 "[ . 1]" 1
366 1 22 PHE QB 1 27 ILE MD 5.310 . 5.310 4.088 3.698 5.365 0.055 5 0 "[ . 1]" 1
367 1 22 PHE QB 1 27 ILE MG 5.400 . 5.400 3.216 2.544 5.009 . 0 0 "[ . 1]" 1
368 1 22 PHE QB 1 28 TYR QD 4.100 . 4.600 4.562 4.441 4.846 0.246 5 0 "[ . 1]" 1
369 1 22 PHE QB 1 28 TYR QE 4.820 . 5.220 5.190 4.937 5.309 0.089 1 0 "[ . 1]" 1
370 1 22 PHE HB2 1 23 HIS H 5.000 . 5.000 2.495 2.094 2.832 . 0 0 "[ . 1]" 1
371 1 22 PHE HB2 1 28 TYR QD 4.690 . 4.990 5.077 4.863 5.559 0.569 4 2 "[ +- 1]" 1
372 1 22 PHE HB3 1 23 HIS H 5.000 . 5.000 3.765 3.292 4.023 . 0 0 "[ . 1]" 1
373 1 22 PHE HB3 1 28 TYR QD 4.690 . 5.090 5.177 5.077 5.350 0.260 5 0 "[ . 1]" 1
374 1 22 PHE QE 1 27 ILE MG 5.950 . 5.950 5.561 4.667 6.031 0.081 2 0 "[ . 1]" 1
375 1 22 PHE QE 1 63 ARG HA 4.770 . 4.770 3.086 2.484 3.629 . 0 0 "[ . 1]" 1
376 1 22 PHE QE 1 63 ARG QG 5.710 . 5.710 3.849 3.200 4.416 . 0 0 "[ . 1]" 1
377 1 22 PHE QE 1 65 LEU QD 5.390 . 5.390 3.110 2.521 3.969 . 0 0 "[ . 1]" 1
378 1 23 HIS H 1 26 LEU H 5.750 . 5.750 4.584 3.844 6.162 0.412 4 0 "[ . 1]" 1
379 1 23 HIS H 1 27 ILE HA 4.880 . 4.880 4.303 3.783 5.366 0.486 5 0 "[ . 1]" 1
380 1 23 HIS H 1 27 ILE QG 6.000 . 6.000 5.143 4.608 6.137 0.137 5 0 "[ . 1]" 1
381 1 23 HIS H 1 28 TYR H 5.730 . 5.730 4.986 4.422 5.654 . 0 0 "[ . 1]" 1
382 1 23 HIS H 1 28 TYR QD 4.810 . 4.810 3.754 3.022 4.521 . 0 0 "[ . 1]" 1
383 1 23 HIS H 1 28 TYR QE 4.880 . 4.880 4.035 3.221 5.249 0.369 4 0 "[ . 1]" 1
384 1 26 LEU H 1 26 LEU QD 5.230 . 5.230 3.867 3.652 4.098 . 0 0 "[ . 1]" 1
385 1 26 LEU H 1 27 ILE H 6.000 . 6.000 4.408 4.316 4.440 . 0 0 "[ . 1]" 1
386 1 26 LEU H 1 78 LEU MD1 5.690 . 5.690 5.061 4.656 5.486 . 0 0 "[ . 1]" 1
387 1 26 LEU H 1 78 LEU QD 4.920 . 4.920 4.685 4.267 5.015 0.095 8 0 "[ . 1]" 1
388 1 26 LEU H 1 78 LEU MD2 5.690 . 5.690 5.536 4.882 5.864 0.174 10 0 "[ . 1]" 1
389 1 26 LEU HA 1 26 LEU MD1 4.700 . 4.700 3.097 2.217 3.886 . 0 0 "[ . 1]" 1
390 1 26 LEU HA 1 26 LEU QD 3.730 . 3.730 2.286 2.204 2.341 . 0 0 "[ . 1]" 1
391 1 26 LEU HA 1 26 LEU MD2 4.700 . 4.700 3.062 2.265 3.878 . 0 0 "[ . 1]" 1
392 1 26 LEU HA 1 27 ILE MD 5.490 . 5.490 4.703 4.530 4.862 . 0 0 "[ . 1]" 1
393 1 26 LEU HA 1 27 ILE MG 6.000 . 6.000 5.458 5.418 5.518 . 0 0 "[ . 1]" 1
394 1 26 LEU HA 1 28 TYR QE 5.730 . 5.730 4.852 4.563 5.008 . 0 0 "[ . 1]" 1
395 1 26 LEU HA 1 78 LEU HB3 6.000 . 6.000 3.476 2.935 3.746 . 0 0 "[ . 1]" 1
396 1 26 LEU HA 1 78 LEU MD1 5.020 . 5.020 2.895 2.709 3.147 . 0 0 "[ . 1]" 1
397 1 26 LEU HA 1 78 LEU QD 4.300 . 4.300 2.812 2.643 3.020 . 0 0 "[ . 1]" 1
398 1 26 LEU HA 1 78 LEU MD2 5.020 . 5.020 3.851 3.443 4.100 . 0 0 "[ . 1]" 1
399 1 26 LEU HA 1 79 ALA MB 6.000 . 6.000 6.277 6.119 6.513 0.513 10 1 "[ . +]" 1
400 1 26 LEU QB 1 27 ILE H 4.170 . 4.170 2.810 2.005 3.586 . 0 0 "[ . 1]" 1
401 1 26 LEU QB 1 27 ILE MD 5.070 . 5.970 5.680 5.294 5.978 0.008 3 0 "[ . 1]" 1
402 1 26 LEU QB 1 28 TYR QD 5.100 . 5.100 4.168 3.941 4.477 . 0 0 "[ . 1]" 1
403 1 26 LEU QB 1 28 TYR QE 4.970 . 4.970 2.921 2.387 3.336 . 0 0 "[ . 1]" 1
404 1 26 LEU HB2 1 27 ILE H 4.940 . 4.940 3.922 3.398 4.122 . 0 0 "[ . 1]" 1
405 1 26 LEU HB3 1 27 ILE H 4.940 . 4.940 2.904 2.020 3.941 . 0 0 "[ . 1]" 1
406 1 26 LEU HB3 1 27 ILE MD 5.980 . 5.980 6.110 5.595 6.714 0.734 3 1 "[ + . 1]" 1
407 1 26 LEU QD 1 27 ILE HA 5.680 . 5.680 4.991 4.498 5.181 . 0 0 "[ . 1]" 1
408 1 26 LEU QD 1 28 TYR H 5.630 . 5.630 5.736 5.301 6.009 0.379 2 0 "[ . 1]" 1
409 1 26 LEU QD 1 28 TYR QD 4.490 . 4.990 4.636 3.975 4.966 . 0 0 "[ . 1]" 1
410 1 26 LEU QD 1 28 TYR QE 4.060 . 4.060 3.646 2.728 4.047 . 0 0 "[ . 1]" 1
411 1 26 LEU QD 1 78 LEU H 5.470 . 5.470 4.673 4.318 4.836 . 0 0 "[ . 1]" 1
412 1 26 LEU QD 1 78 LEU HB3 4.910 . 4.910 2.304 2.191 2.419 . 0 0 "[ . 1]" 1
413 1 26 LEU QD 1 79 ALA H 4.730 . 4.730 3.589 3.180 3.814 . 0 0 "[ . 1]" 1
414 1 26 LEU QD 1 79 ALA HA 3.820 . 3.820 2.729 2.396 3.085 . 0 0 "[ . 1]" 1
415 1 26 LEU QD 1 79 ALA MB 3.600 . 3.600 3.207 2.797 3.485 . 0 0 "[ . 1]" 1
416 1 26 LEU QD 1 80 ARG H 5.310 . 5.310 5.100 4.717 5.375 0.065 5 0 "[ . 1]" 1
417 1 26 LEU QD 1 81 GLN H 5.830 . 5.830 5.258 4.707 5.662 . 0 0 "[ . 1]" 1
418 1 26 LEU QD 1 81 GLN QB 5.410 . 5.410 4.620 4.092 5.036 . 0 0 "[ . 1]" 1
419 1 26 LEU QD 1 82 CYS H 5.920 . 5.920 4.090 3.653 4.596 . 0 0 "[ . 1]" 1
420 1 26 LEU QD 1 82 CYS HA 5.210 . 5.210 4.547 4.189 5.279 0.069 3 0 "[ . 1]" 1
421 1 26 LEU QD 1 82 CYS QB 4.060 . 4.060 2.751 2.240 3.303 . 0 0 "[ . 1]" 1
422 1 26 LEU MD1 1 27 ILE H 4.440 . 4.440 3.955 2.187 4.755 0.315 2 0 "[ . 1]" 1
423 1 26 LEU MD1 1 28 TYR QE 5.380 . 5.380 4.499 3.630 5.426 0.046 6 0 "[ . 1]" 1
424 1 26 LEU MD1 1 79 ALA HA 4.820 . 4.820 3.643 2.473 4.736 . 0 0 "[ . 1]" 1
425 1 26 LEU MD1 1 79 ALA MB 5.250 . 5.250 4.271 3.022 5.180 . 0 0 "[ . 1]" 1
426 1 26 LEU MD1 1 82 CYS HA 6.000 . 6.000 4.972 4.265 5.950 . 0 0 "[ . 1]" 1
427 1 26 LEU MD2 1 27 ILE H 4.440 . 4.440 3.248 2.945 4.205 . 0 0 "[ . 1]" 1
428 1 26 LEU MD2 1 28 TYR QE 5.380 . 5.380 4.248 2.744 5.021 . 0 0 "[ . 1]" 1
429 1 26 LEU MD2 1 79 ALA HA 4.820 . 4.820 3.118 2.701 3.799 . 0 0 "[ . 1]" 1
430 1 26 LEU MD2 1 79 ALA MB 5.250 . 5.250 3.439 3.016 4.150 . 0 0 "[ . 1]" 1
431 1 26 LEU MD2 1 82 CYS HA 6.000 . 6.000 5.551 4.674 6.135 0.135 8 0 "[ . 1]" 1
432 1 26 LEU HG 1 27 ILE H 5.880 . 5.880 3.308 1.918 4.565 . 0 0 "[ . 1]" 1
433 1 26 LEU HG 1 28 TYR QE 5.410 . 5.410 5.158 3.843 5.525 0.115 6 0 "[ . 1]" 1
434 1 26 LEU HG 1 78 LEU HB2 5.680 . 5.680 4.555 3.441 5.367 . 0 0 "[ . 1]" 1
435 1 27 ILE H 1 27 ILE MD 5.050 . 5.050 3.706 3.463 3.981 . 0 0 "[ . 1]" 1
436 1 27 ILE H 1 28 TYR H 5.680 . 5.680 4.484 4.353 4.586 . 0 0 "[ . 1]" 1
437 1 27 ILE H 1 28 TYR QE 5.790 . 5.790 4.813 4.090 5.133 . 0 0 "[ . 1]" 1
438 1 27 ILE H 1 75 ARG QB 6.000 . 6.000 4.460 4.281 4.626 . 0 0 "[ . 1]" 1
439 1 27 ILE H 1 78 LEU HB2 5.330 . 5.330 4.324 3.888 4.779 . 0 0 "[ . 1]" 1
440 1 27 ILE H 1 78 LEU HB3 5.630 . 5.630 4.533 3.967 5.012 . 0 0 "[ . 1]" 1
441 1 27 ILE H 1 78 LEU MD1 6.000 . 6.000 3.377 2.909 3.826 . 0 0 "[ . 1]" 1
442 1 27 ILE H 1 78 LEU QD 5.000 . 5.000 3.335 2.881 3.765 . 0 0 "[ . 1]" 1
443 1 27 ILE H 1 78 LEU MD2 6.000 . 6.000 5.178 4.651 5.606 . 0 0 "[ . 1]" 1
444 1 27 ILE H 1 79 ALA MB 6.000 . 6.000 5.814 5.626 6.049 0.049 10 0 "[ . 1]" 1
445 1 27 ILE HA 1 28 TYR QD 4.980 . 4.980 3.241 2.823 3.571 . 0 0 "[ . 1]" 1
446 1 27 ILE HB 1 27 ILE MD 3.520 . 3.520 2.361 2.330 2.376 . 0 0 "[ . 1]" 1
447 1 27 ILE HB 1 28 TYR H 6.000 . 6.000 4.097 3.894 4.201 . 0 0 "[ . 1]" 1
448 1 27 ILE HB 1 74 ARG QB 5.260 . 5.260 5.262 5.041 5.408 0.148 8 0 "[ . 1]" 1
449 1 27 ILE HB 1 75 ARG H 5.040 . 5.040 4.764 4.583 4.989 . 0 0 "[ . 1]" 1
450 1 27 ILE HB 1 75 ARG HA 4.520 . 4.520 3.354 3.258 3.493 . 0 0 "[ . 1]" 1
451 1 27 ILE HB 1 75 ARG QB 5.080 . 5.080 2.565 2.419 2.815 . 0 0 "[ . 1]" 1
452 1 27 ILE HB 1 75 ARG QG 5.020 . 5.020 2.460 2.425 2.589 . 0 0 "[ . 1]" 1
453 1 27 ILE MD 1 28 TYR H 5.410 . 5.410 5.093 4.891 5.240 . 0 0 "[ . 1]" 1
454 1 27 ILE MD 1 65 LEU QD 3.750 . 3.750 3.067 2.830 3.279 . 0 0 "[ . 1]" 1
455 1 27 ILE MD 1 74 ARG H 6.000 . 6.000 4.568 4.304 4.829 . 0 0 "[ . 1]" 1
456 1 27 ILE MD 1 74 ARG QB 5.250 . 5.250 2.648 2.318 2.832 . 0 0 "[ . 1]" 1
457 1 27 ILE MD 1 74 ARG QD 5.160 . 5.160 3.796 3.349 4.036 . 0 0 "[ . 1]" 1
458 1 27 ILE MD 1 74 ARG QG 4.970 . 4.970 4.413 4.090 4.592 . 0 0 "[ . 1]" 1
459 1 27 ILE MD 1 75 ARG H 4.660 . 4.660 3.104 2.810 3.337 . 0 0 "[ . 1]" 1
460 1 27 ILE MD 1 75 ARG HA 4.370 . 4.370 2.630 2.427 2.820 . 0 0 "[ . 1]" 1
461 1 27 ILE MD 1 75 ARG QG 6.000 . 6.000 3.509 3.361 3.595 . 0 0 "[ . 1]" 1
462 1 27 ILE MD 1 78 LEU HB3 4.190 . 5.190 5.073 4.877 5.221 0.031 1 0 "[ . 1]" 1
463 1 27 ILE MD 1 78 LEU QD 3.940 . 3.940 2.286 2.091 2.443 . 0 0 "[ . 1]" 1
464 1 27 ILE MD 1 78 LEU HG 5.700 . 5.700 4.402 4.127 4.585 . 0 0 "[ . 1]" 1
465 1 27 ILE QG 1 28 TYR H 5.240 . 5.240 4.168 4.061 4.301 . 0 0 "[ . 1]" 1
466 1 27 ILE QG 1 65 LEU QD 5.080 . 5.080 3.860 3.494 4.170 . 0 0 "[ . 1]" 1
467 1 27 ILE QG 1 75 ARG QB 6.000 . 6.000 4.011 3.899 4.233 . 0 0 "[ . 1]" 1
468 1 27 ILE QG 1 78 LEU QD 4.930 . 4.930 2.431 2.153 2.681 . 0 0 "[ . 1]" 1
469 1 27 ILE MG 1 28 TYR H 4.280 . 4.280 2.553 2.231 2.754 . 0 0 "[ . 1]" 1
470 1 27 ILE MG 1 28 TYR HA 5.300 . 5.300 3.828 3.657 3.964 . 0 0 "[ . 1]" 1
471 1 27 ILE MG 1 28 TYR HB2 6.000 . 6.000 4.584 4.418 4.745 . 0 0 "[ . 1]" 1
472 1 27 ILE MG 1 65 LEU QB 5.430 . 5.430 4.528 3.915 5.578 0.148 6 0 "[ . 1]" 1
473 1 27 ILE MG 1 65 LEU QD 3.650 . 3.650 3.058 2.806 3.441 . 0 0 "[ . 1]" 1
474 1 27 ILE MG 1 65 LEU HG 6.000 . 6.000 5.073 4.650 5.575 . 0 0 "[ . 1]" 1
475 1 27 ILE MG 1 74 ARG QB 5.260 . 5.260 4.775 4.401 4.971 . 0 0 "[ . 1]" 1
476 1 27 ILE MG 1 75 ARG QB 4.030 . 4.030 3.137 2.936 3.299 . 0 0 "[ . 1]" 1
477 1 27 ILE MG 1 75 ARG QD 4.610 . 4.610 2.897 2.433 4.328 . 0 0 "[ . 1]" 1
478 1 27 ILE MG 1 75 ARG QG 5.300 . 5.300 3.805 3.687 4.001 . 0 0 "[ . 1]" 1
479 1 28 TYR H 1 28 TYR QD 4.830 . 4.830 2.579 2.341 2.944 . 0 0 "[ . 1]" 1
480 1 28 TYR H 1 28 TYR QE 5.070 . 5.070 4.592 4.402 4.881 . 0 0 "[ . 1]" 1
481 1 28 TYR H 1 48 TYR QE 6.000 . 6.000 5.454 4.769 5.924 . 0 0 "[ . 1]" 1
482 1 28 TYR HA 1 28 TYR QD 3.960 . 3.960 2.905 2.809 3.060 . 0 0 "[ . 1]" 1
483 1 28 TYR HA 1 29 GLU H 3.760 . 3.760 2.281 2.244 2.320 . 0 0 "[ . 1]" 1
484 1 28 TYR HB2 1 29 GLU H 4.300 . 4.300 3.777 3.694 3.897 . 0 0 "[ . 1]" 1
485 1 28 TYR HB2 1 48 TYR QD 5.160 . 5.160 4.011 3.394 4.742 . 0 0 "[ . 1]" 1
486 1 28 TYR HB2 1 48 TYR QE 5.080 . 5.080 3.314 2.912 3.568 . 0 0 "[ . 1]" 1
487 1 28 TYR HB3 1 29 GLU HA 5.740 . 5.740 4.897 4.842 4.947 . 0 0 "[ . 1]" 1
488 1 28 TYR HB3 1 48 TYR QD 4.700 . 4.700 3.730 3.291 4.429 . 0 0 "[ . 1]" 1
489 1 28 TYR HB3 1 48 TYR QE 4.120 . 4.120 3.972 2.960 4.131 0.011 1 0 "[ . 1]" 1
490 1 28 TYR QD 1 29 GLU H 5.020 . 5.020 3.911 3.758 4.061 . 0 0 "[ . 1]" 1
491 1 28 TYR QD 1 48 TYR QE 4.810 . 4.810 4.451 3.454 4.784 . 0 0 "[ . 1]" 1
492 1 29 GLU H 1 29 GLU QG 4.490 . 4.490 3.709 2.473 4.044 . 0 0 "[ . 1]" 1
493 1 29 GLU H 1 30 ALA H 5.050 . 5.050 4.574 4.544 4.606 . 0 0 "[ . 1]" 1
494 1 29 GLU H 1 30 ALA MB 5.880 . 5.880 4.945 4.881 4.998 . 0 0 "[ . 1]" 1
495 1 29 GLU H 1 49 ALA H 5.850 . 5.850 5.710 4.967 5.909 0.059 8 0 "[ . 1]" 1
496 1 29 GLU H 1 49 ALA MB 5.100 . 5.400 5.120 3.453 5.473 0.073 10 0 "[ . 1]" 1
497 1 29 GLU H 1 75 ARG QD 6.000 . 6.000 4.929 4.427 5.678 . 0 0 "[ . 1]" 1
498 1 29 GLU HA 1 30 ALA H 3.630 . 3.630 2.186 2.145 2.224 . 0 0 "[ . 1]" 1
499 1 29 GLU HA 1 49 ALA MB 5.490 . 5.690 5.195 4.369 5.528 . 0 0 "[ . 1]" 1
500 1 29 GLU HA 1 67 TYR QE 4.870 . 6.000 5.833 5.494 6.055 0.055 8 0 "[ . 1]" 1
501 1 29 GLU QG 1 30 ALA H 4.400 . 4.400 2.817 2.331 3.926 . 0 0 "[ . 1]" 1
502 1 29 GLU QG 1 67 TYR QE 3.940 . 4.540 4.387 4.106 4.612 0.072 4 0 "[ . 1]" 1
503 1 30 ALA H 1 31 LYS H 5.410 . 5.410 4.387 4.367 4.408 . 0 0 "[ . 1]" 1
504 1 30 ALA H 1 31 LYS QB 5.670 . 5.670 4.870 4.781 4.971 . 0 0 "[ . 1]" 1
505 1 30 ALA H 1 49 ALA H 5.540 . 5.840 5.048 4.750 5.202 . 0 0 "[ . 1]" 1
506 1 30 ALA H 1 49 ALA MB 5.790 . 5.790 4.589 4.155 4.821 . 0 0 "[ . 1]" 1
507 1 30 ALA HA 1 48 TYR HA 4.630 . 4.630 2.822 2.537 3.465 . 0 0 "[ . 1]" 1
508 1 30 ALA HA 1 49 ALA H 3.960 . 3.960 2.638 2.435 2.935 . 0 0 "[ . 1]" 1
509 1 30 ALA MB 1 31 LYS H 3.690 . 3.690 2.256 2.176 2.294 . 0 0 "[ . 1]" 1
510 1 30 ALA MB 1 46 ILE MG 3.710 . 3.710 2.209 2.085 2.334 . 0 0 "[ . 1]" 1
511 1 30 ALA MB 1 48 TYR H 5.630 . 5.630 4.549 4.340 4.755 . 0 0 "[ . 1]" 1
512 1 30 ALA MB 1 48 TYR HA 4.210 . 4.210 2.979 2.782 3.207 . 0 0 "[ . 1]" 1
513 1 30 ALA MB 1 48 TYR QD 4.760 . 4.760 3.368 2.961 4.178 . 0 0 "[ . 1]" 1
514 1 30 ALA MB 1 48 TYR QE 5.650 . 5.650 3.850 3.531 4.668 . 0 0 "[ . 1]" 1
515 1 30 ALA MB 1 49 ALA H 4.300 . 4.800 3.858 3.484 4.193 . 0 0 "[ . 1]" 1
516 1 31 LYS H 1 31 LYS QD 5.410 . 5.410 5.112 4.435 5.326 . 0 0 "[ . 1]" 1
517 1 31 LYS H 1 31 LYS QE 5.320 . 5.320 5.009 4.816 5.257 . 0 0 "[ . 1]" 1
518 1 31 LYS H 1 32 VAL H 5.260 . 5.260 4.381 4.306 4.429 . 0 0 "[ . 1]" 1
519 1 31 LYS H 1 32 VAL QG 5.490 . 5.490 4.704 4.637 4.764 . 0 0 "[ . 1]" 1
520 1 31 LYS H 1 46 ILE HA 5.160 . 5.160 4.392 4.186 4.525 . 0 0 "[ . 1]" 1
521 1 31 LYS H 1 46 ILE MD 4.900 . 4.900 4.812 4.439 5.411 0.511 7 1 "[ . + 1]" 1
522 1 31 LYS H 1 46 ILE MG 4.620 . 4.620 3.208 2.629 3.733 . 0 0 "[ . 1]" 1
523 1 31 LYS H 1 47 HIS H 4.220 . 4.220 3.014 2.664 3.161 . 0 0 "[ . 1]" 1
524 1 31 LYS H 1 48 TYR HA 6.000 . 6.000 4.095 3.908 4.681 . 0 0 "[ . 1]" 1
525 1 31 LYS H 1 49 ALA H 5.730 . 5.730 4.398 4.156 4.937 . 0 0 "[ . 1]" 1
526 1 31 LYS H 1 49 ALA MB 5.910 . 5.910 4.430 4.133 4.920 . 0 0 "[ . 1]" 1
527 1 31 LYS HA 1 31 LYS QD 4.600 . 4.600 3.925 3.651 4.034 . 0 0 "[ . 1]" 1
528 1 31 LYS HA 1 31 LYS QE 5.410 . 5.410 4.694 4.549 4.808 . 0 0 "[ . 1]" 1
529 1 31 LYS HA 1 32 VAL H 3.610 . 3.610 2.220 2.160 2.269 . 0 0 "[ . 1]" 1
530 1 31 LYS HA 1 32 VAL HA 5.930 . 5.930 4.396 4.371 4.411 . 0 0 "[ . 1]" 1
531 1 31 LYS HA 1 32 VAL HB 5.580 . 5.580 4.757 4.689 4.815 . 0 0 "[ . 1]" 1
532 1 31 LYS HA 1 32 VAL QG 4.500 . 4.500 3.304 3.238 3.370 . 0 0 "[ . 1]" 1
533 1 31 LYS HA 1 46 ILE MD 5.540 . 5.540 4.977 4.633 5.589 0.049 7 0 "[ . 1]" 1
534 1 31 LYS QB 1 31 LYS QE 3.430 . 3.430 2.362 2.215 2.549 . 0 0 "[ . 1]" 1
535 1 31 LYS QB 1 32 VAL H 4.990 . 4.990 3.509 3.419 3.597 . 0 0 "[ . 1]" 1
536 1 31 LYS QB 1 32 VAL HA 6.000 . 6.000 4.813 4.768 4.893 . 0 0 "[ . 1]" 1
537 1 31 LYS QB 1 32 VAL QG 5.960 . 5.960 4.595 4.542 4.645 . 0 0 "[ . 1]" 1
538 1 31 LYS QB 1 47 HIS H 4.930 . 4.930 4.369 4.131 4.520 . 0 0 "[ . 1]" 1
539 1 31 LYS QB 1 49 ALA MB 4.910 . 4.910 3.616 3.336 4.828 . 0 0 "[ . 1]" 1
540 1 31 LYS QD 1 32 VAL H 4.180 . 4.580 3.966 2.713 4.466 . 0 0 "[ . 1]" 1
541 1 31 LYS QD 1 32 VAL HB 5.510 . 6.000 5.412 3.901 6.015 0.015 1 0 "[ . 1]" 1
542 1 31 LYS QE 1 32 VAL H 5.360 . 5.360 4.639 4.422 4.863 . 0 0 "[ . 1]" 1
543 1 31 LYS QE 1 32 VAL HA 5.650 . 5.650 5.656 5.423 5.809 0.159 7 0 "[ . 1]" 1
544 1 31 LYS QE 1 33 LEU H 5.790 . 5.790 5.095 4.780 5.517 . 0 0 "[ . 1]" 1
545 1 31 LYS QE 1 33 LEU HA 4.570 . 4.570 3.823 3.246 4.319 . 0 0 "[ . 1]" 1
546 1 31 LYS QE 1 33 LEU MD1 4.980 . 4.980 3.852 2.760 4.881 . 0 0 "[ . 1]" 1
547 1 31 LYS QE 1 33 LEU QD 4.030 . 4.030 3.435 2.721 4.105 0.075 5 0 "[ . 1]" 1
548 1 31 LYS QE 1 33 LEU MD2 4.980 . 4.980 4.543 2.734 5.119 0.139 1 0 "[ . 1]" 1
549 1 31 LYS QE 1 47 HIS HD2 4.400 . 5.000 4.542 4.094 5.029 0.029 3 0 "[ . 1]" 1
550 1 31 LYS QG 1 32 VAL H 5.180 . 5.180 2.225 1.980 2.421 . 0 0 "[ . 1]" 1
551 1 31 LYS QG 1 32 VAL HA 6.000 . 6.000 4.202 4.058 4.616 . 0 0 "[ . 1]" 1
552 1 31 LYS QG 1 32 VAL QG 5.980 . 5.980 3.738 3.621 3.851 . 0 0 "[ . 1]" 1
553 1 31 LYS QG 1 47 HIS HD2 4.360 . 5.160 4.856 4.106 5.306 0.146 7 0 "[ . 1]" 1
554 1 32 VAL H 1 32 VAL HB 3.830 . 3.830 2.602 2.530 2.648 . 0 0 "[ . 1]" 1
555 1 32 VAL H 1 32 VAL MG1 4.430 . 4.430 3.835 3.806 3.864 . 0 0 "[ . 1]" 1
556 1 32 VAL H 1 32 VAL QG 3.590 . 3.590 2.194 2.117 2.282 . 0 0 "[ . 1]" 1
557 1 32 VAL H 1 32 VAL MG2 4.430 . 4.430 2.208 2.128 2.299 . 0 0 "[ . 1]" 1
558 1 32 VAL H 1 33 LEU H 5.800 . 5.800 4.349 4.234 4.483 . 0 0 "[ . 1]" 1
559 1 32 VAL H 1 46 ILE MD 5.240 . 5.240 4.462 4.176 4.833 . 0 0 "[ . 1]" 1
560 1 32 VAL H 1 64 VAL QG 5.930 . 5.930 5.687 5.412 5.905 . 0 0 "[ . 1]" 1
561 1 32 VAL HA 1 33 LEU MD1 6.000 . 6.000 5.897 5.596 6.133 0.133 6 0 "[ . 1]" 1
562 1 32 VAL HA 1 34 LYS H 4.490 . 4.490 3.720 3.635 3.781 . 0 0 "[ . 1]" 1
563 1 32 VAL HA 1 46 ILE HA 5.000 . 5.000 2.862 2.550 3.045 . 0 0 "[ . 1]" 1
564 1 32 VAL HA 1 46 ILE MD 4.270 . 4.270 2.798 2.369 3.687 . 0 0 "[ . 1]" 1
565 1 32 VAL HA 1 46 ILE MG 5.160 . 5.160 3.892 2.717 4.852 . 0 0 "[ . 1]" 1
566 1 32 VAL HA 1 47 HIS H 5.850 . 5.850 4.137 3.965 4.227 . 0 0 "[ . 1]" 1
567 1 32 VAL HB 1 33 LEU H 5.560 . 5.560 4.349 4.226 4.408 . 0 0 "[ . 1]" 1
568 1 32 VAL HB 1 34 LYS H 5.260 . 5.260 4.972 4.760 5.179 . 0 0 "[ . 1]" 1
569 1 32 VAL HB 1 46 ILE MD 4.480 . 4.880 4.487 4.264 4.946 0.066 2 0 "[ . 1]" 1
570 1 32 VAL QG 1 33 LEU H 4.200 . 4.200 3.054 2.840 3.181 . 0 0 "[ . 1]" 1
571 1 32 VAL QG 1 33 LEU HA 5.190 . 5.190 4.145 4.018 4.225 . 0 0 "[ . 1]" 1
572 1 32 VAL QG 1 34 LYS H 3.830 . 3.830 2.779 2.549 2.996 . 0 0 "[ . 1]" 1
573 1 32 VAL QG 1 34 LYS HA 4.650 . 4.650 3.632 3.351 3.826 . 0 0 "[ . 1]" 1
574 1 32 VAL QG 1 34 LYS HB2 5.270 . 5.270 5.160 5.030 5.274 0.004 9 0 "[ . 1]" 1
575 1 32 VAL QG 1 35 THR H 5.560 . 5.560 4.139 3.997 4.256 . 0 0 "[ . 1]" 1
576 1 32 VAL QG 1 35 THR MG 3.840 . 3.840 3.043 1.899 3.402 . 0 0 "[ . 1]" 1
577 1 32 VAL QG 1 44 TYR HA 5.140 . 5.140 4.379 4.027 4.622 . 0 0 "[ . 1]" 1
578 1 32 VAL QG 1 44 TYR HB2 4.030 . 4.430 4.169 3.840 4.361 . 0 0 "[ . 1]" 1
579 1 32 VAL QG 1 44 TYR HB3 5.810 . 5.810 3.035 2.703 3.245 . 0 0 "[ . 1]" 1
580 1 32 VAL QG 1 44 TYR QD 3.990 . 3.990 3.421 3.169 3.670 . 0 0 "[ . 1]" 1
581 1 32 VAL QG 1 44 TYR QE 5.050 . 5.050 4.850 4.672 5.062 0.012 3 0 "[ . 1]" 1
582 1 32 VAL QG 1 45 TYR H 4.800 . 4.800 3.450 3.137 3.812 . 0 0 "[ . 1]" 1
583 1 32 VAL QG 1 46 ILE MD 3.300 . 3.300 2.090 1.981 2.257 . 0 0 "[ . 1]" 1
584 1 32 VAL QG 1 46 ILE QG 5.560 . 5.560 3.265 2.187 3.822 . 0 0 "[ . 1]" 1
585 1 32 VAL QG 1 46 ILE MG 4.750 . 4.750 3.609 2.719 4.370 . 0 0 "[ . 1]" 1
586 1 32 VAL QG 1 64 VAL HB 5.980 . 5.980 5.295 5.020 5.593 . 0 0 "[ . 1]" 1
587 1 32 VAL QG 1 64 VAL QG 4.960 . 4.960 2.990 2.850 3.251 . 0 0 "[ . 1]" 1
588 1 32 VAL MG1 1 33 LEU H 4.940 . 4.940 3.129 2.886 3.282 . 0 0 "[ . 1]" 1
589 1 32 VAL MG1 1 35 THR MG 4.860 . 4.860 3.076 1.906 3.450 . 0 0 "[ . 1]" 1
590 1 32 VAL MG1 1 44 TYR HB2 4.650 . 4.650 4.482 4.150 4.711 0.061 9 0 "[ . 1]" 1
591 1 32 VAL MG1 1 46 ILE MD 3.870 . 3.870 2.696 2.387 3.334 . 0 0 "[ . 1]" 1
592 1 32 VAL MG2 1 33 LEU H 4.940 . 4.940 4.274 4.219 4.317 . 0 0 "[ . 1]" 1
593 1 32 VAL MG2 1 35 THR MG 4.860 . 5.360 4.879 3.616 5.239 . 0 0 "[ . 1]" 1
594 1 32 VAL MG2 1 44 TYR HB2 4.650 . 4.950 4.965 4.528 5.233 0.283 3 0 "[ . 1]" 1
595 1 32 VAL MG2 1 46 ILE MD 3.870 . 3.870 2.192 2.117 2.295 . 0 0 "[ . 1]" 1
596 1 33 LEU H 1 33 LEU MD1 5.030 . 5.030 4.294 4.048 4.360 . 0 0 "[ . 1]" 1
597 1 33 LEU H 1 33 LEU QD 4.210 . 4.210 3.834 3.599 3.910 . 0 0 "[ . 1]" 1
598 1 33 LEU H 1 33 LEU MD2 5.030 . 5.030 4.333 3.841 4.458 . 0 0 "[ . 1]" 1
599 1 33 LEU H 1 33 LEU HG 4.830 . 4.830 4.442 4.233 4.678 . 0 0 "[ . 1]" 1
600 1 33 LEU H 1 34 LYS H 3.690 . 3.690 2.349 2.170 2.508 . 0 0 "[ . 1]" 1
601 1 33 LEU H 1 34 LYS HA 5.930 . 5.930 4.989 4.864 5.072 . 0 0 "[ . 1]" 1
602 1 33 LEU H 1 45 TYR H 5.470 . 5.470 5.050 4.837 5.306 . 0 0 "[ . 1]" 1
603 1 33 LEU H 1 46 ILE HA 4.910 . 4.910 3.334 2.721 3.739 . 0 0 "[ . 1]" 1
604 1 33 LEU H 1 46 ILE MD 5.000 . 5.000 4.131 3.570 5.259 0.259 1 0 "[ . 1]" 1
605 1 33 LEU H 1 47 HIS H 5.410 . 5.410 4.274 3.986 4.501 . 0 0 "[ . 1]" 1
606 1 33 LEU HA 1 33 LEU QD 3.980 . 3.980 2.244 2.094 2.364 . 0 0 "[ . 1]" 1
607 1 33 LEU QB 1 34 LYS H 4.470 . 4.470 2.733 2.583 2.836 . 0 0 "[ . 1]" 1
608 1 33 LEU QB 1 45 TYR QD 3.820 . 3.820 2.356 2.158 2.901 . 0 0 "[ . 1]" 1
609 1 33 LEU QD 1 34 LYS H 4.480 . 4.480 3.950 3.636 4.166 . 0 0 "[ . 1]" 1
610 1 33 LEU QD 1 34 LYS HB3 4.240 . 4.240 4.051 2.897 4.425 0.185 7 0 "[ . 1]" 1
611 1 33 LEU QD 1 34 LYS QE 4.370 . 4.370 3.855 3.258 4.425 0.055 5 0 "[ . 1]" 1
612 1 33 LEU QD 1 45 TYR QD 3.830 . 3.830 3.393 3.256 3.532 . 0 0 "[ . 1]" 1
613 1 33 LEU QD 1 45 TYR QE 3.770 . 3.770 2.853 2.480 3.186 . 0 0 "[ . 1]" 1
614 1 33 LEU QD 1 47 HIS HD2 5.800 . 5.800 3.821 3.181 5.373 . 0 0 "[ . 1]" 1
615 1 33 LEU MD1 1 34 LYS H 5.210 . 5.210 4.575 3.769 4.927 . 0 0 "[ . 1]" 1
616 1 33 LEU MD1 1 34 LYS HB3 5.070 . 5.370 5.096 3.756 5.435 0.065 10 0 "[ . 1]" 1
617 1 33 LEU MD1 1 34 LYS QE 5.590 . 6.000 4.853 3.275 5.728 . 0 0 "[ . 1]" 1
618 1 33 LEU MD1 1 45 TYR QD 4.660 . 5.160 4.387 3.297 5.262 0.102 3 0 "[ . 1]" 1
619 1 33 LEU MD1 1 45 TYR QE 4.580 . 5.180 4.178 2.490 5.530 0.350 3 0 "[ . 1]" 1
620 1 33 LEU MD2 1 34 LYS H 5.210 . 5.210 4.414 3.894 4.777 . 0 0 "[ . 1]" 1
621 1 33 LEU MD2 1 34 LYS HB3 5.070 . 5.570 4.463 2.921 6.016 0.446 8 0 "[ . 1]" 1
622 1 33 LEU MD2 1 34 LYS QE 5.590 . 5.590 4.325 3.306 5.838 0.248 8 0 "[ . 1]" 1
623 1 33 LEU MD2 1 45 TYR QD 4.660 . 4.660 3.913 3.402 5.044 0.384 8 0 "[ . 1]" 1
624 1 33 LEU MD2 1 45 TYR QE 4.580 . 4.580 3.584 2.858 4.609 0.029 5 0 "[ . 1]" 1
625 1 33 LEU HG 1 34 LYS H 5.050 . 5.050 4.463 3.890 5.185 0.135 2 0 "[ . 1]" 1
626 1 33 LEU HG 1 45 TYR QD 3.940 . 4.940 4.614 4.058 4.922 . 0 0 "[ . 1]" 1
627 1 34 LYS H 1 34 LYS HB2 4.360 . 4.360 3.481 3.258 4.074 . 0 0 "[ . 1]" 1
628 1 34 LYS H 1 34 LYS HB3 4.280 . 4.280 3.109 2.917 3.588 . 0 0 "[ . 1]" 1
629 1 34 LYS H 1 34 LYS QE 6.000 . 6.000 5.035 4.622 5.294 . 0 0 "[ . 1]" 1
630 1 34 LYS H 1 35 THR H 4.880 . 4.880 4.330 4.286 4.373 . 0 0 "[ . 1]" 1
631 1 34 LYS H 1 35 THR MG 5.240 . 5.240 4.727 3.738 5.057 . 0 0 "[ . 1]" 1
632 1 34 LYS H 1 45 TYR H 4.180 . 4.180 3.752 3.597 3.895 . 0 0 "[ . 1]" 1
633 1 34 LYS H 1 45 TYR HB2 4.430 . 4.430 3.681 3.291 4.519 0.089 8 0 "[ . 1]" 1
634 1 34 LYS H 1 45 TYR QB 3.800 . 3.800 2.067 1.863 2.747 . 0 0 "[ . 1]" 1
635 1 34 LYS H 1 45 TYR HB3 4.430 . 4.430 2.078 1.871 2.771 . 0 0 "[ . 1]" 1
636 1 34 LYS H 1 45 TYR QD 5.200 . 5.200 3.414 3.124 4.015 . 0 0 "[ . 1]" 1
637 1 34 LYS H 1 46 ILE MD 5.560 . 5.560 4.811 4.310 5.974 0.414 1 0 "[ . 1]" 1
638 1 34 LYS HA 1 34 LYS HD2 5.210 . 5.210 4.755 4.672 4.866 . 0 0 "[ . 1]" 1
639 1 34 LYS HA 1 34 LYS QD 4.540 . 4.540 4.217 3.978 4.331 . 0 0 "[ . 1]" 1
640 1 34 LYS HA 1 34 LYS HD3 5.210 . 5.210 4.737 4.248 4.877 . 0 0 "[ . 1]" 1
641 1 34 LYS HA 1 35 THR H 3.350 . 3.350 2.253 2.185 2.371 . 0 0 "[ . 1]" 1
642 1 34 LYS HA 1 35 THR MG 4.480 . 4.480 3.307 3.259 3.380 . 0 0 "[ . 1]" 1
643 1 34 LYS HB2 1 34 LYS QE 3.550 . 4.550 2.777 2.252 4.023 . 0 0 "[ . 1]" 1
644 1 34 LYS HB2 1 45 TYR H 4.900 . 5.900 5.631 5.471 5.790 . 0 0 "[ . 1]" 1
645 1 34 LYS HB2 1 45 TYR QB 5.240 . 5.240 3.590 3.216 4.138 . 0 0 "[ . 1]" 1
646 1 34 LYS HB3 1 35 THR H 4.880 . 4.880 3.826 3.631 3.948 . 0 0 "[ . 1]" 1
647 1 34 LYS HB3 1 45 TYR QB 5.040 . 5.040 2.595 2.137 4.223 . 0 0 "[ . 1]" 1
648 1 34 LYS QD 1 35 THR H 4.690 . 4.690 4.214 3.941 4.584 . 0 0 "[ . 1]" 1
649 1 34 LYS QD 1 45 TYR QD 5.290 . 5.290 4.058 3.624 4.967 . 0 0 "[ . 1]" 1
650 1 34 LYS QD 1 58 TRP HZ2 5.310 . 5.310 4.527 3.914 5.433 0.123 3 0 "[ . 1]" 1
651 1 34 LYS HD2 1 45 TYR QD 6.000 . 6.000 4.373 3.684 5.838 . 0 0 "[ . 1]" 1
652 1 34 LYS HD2 1 58 TRP HZ2 6.000 . 6.000 4.792 4.010 6.049 0.049 3 0 "[ . 1]" 1
653 1 34 LYS HD3 1 45 TYR QD 6.000 . 6.000 5.264 4.610 5.921 . 0 0 "[ . 1]" 1
654 1 34 LYS HD3 1 58 TRP HZ2 6.000 . 6.000 5.808 5.459 6.237 0.237 1 0 "[ . 1]" 1
655 1 34 LYS QE 1 35 THR H 6.000 . 6.000 5.224 4.893 5.709 . 0 0 "[ . 1]" 1
656 1 34 LYS QE 1 45 TYR QD 4.880 . 4.880 3.498 2.370 4.289 . 0 0 "[ . 1]" 1
657 1 34 LYS QE 1 45 TYR QE 5.140 . 5.140 4.243 3.280 4.823 . 0 0 "[ . 1]" 1
658 1 34 LYS QE 1 58 TRP HZ2 4.760 . 4.760 4.291 3.265 4.947 0.187 7 0 "[ . 1]" 1
659 1 34 LYS QG 1 35 THR H 3.960 . 3.960 2.488 1.999 3.685 . 0 0 "[ . 1]" 1
660 1 34 LYS QG 1 35 THR HA 5.270 . 5.270 3.816 3.629 3.948 . 0 0 "[ . 1]" 1
661 1 34 LYS QG 1 58 TRP HZ2 5.630 . 5.630 5.621 5.224 5.809 0.179 2 0 "[ . 1]" 1
662 1 35 THR H 1 35 THR HB 3.960 . 3.960 3.457 3.286 3.882 . 0 0 "[ . 1]" 1
663 1 35 THR H 1 35 THR MG 4.100 . 4.100 2.301 2.101 2.791 . 0 0 "[ . 1]" 1
664 1 35 THR H 1 36 LYS H 4.940 . 4.940 4.406 4.368 4.427 . 0 0 "[ . 1]" 1
665 1 35 THR H 1 37 PRO HD2 5.700 . 5.700 5.581 5.426 5.777 0.077 8 0 "[ . 1]" 1
666 1 35 THR HA 1 36 LYS H 3.730 . 3.730 2.202 2.180 2.250 . 0 0 "[ . 1]" 1
667 1 35 THR HA 1 42 VAL MG1 5.420 . 5.420 5.216 5.104 5.323 . 0 0 "[ . 1]" 1
668 1 35 THR HA 1 44 TYR QD 4.460 . 4.460 3.002 2.659 3.298 . 0 0 "[ . 1]" 1
669 1 35 THR HB 1 36 LYS H 4.550 . 4.550 3.732 2.957 3.978 . 0 0 "[ . 1]" 1
670 1 35 THR HB 1 42 VAL MG1 5.540 . 5.940 5.673 4.881 5.964 0.024 10 0 "[ . 1]" 1
671 1 35 THR MG 1 36 LYS H 3.930 . 3.930 3.908 3.826 3.961 0.031 9 0 "[ . 1]" 1
672 1 35 THR MG 1 37 PRO HD2 5.170 . 5.670 4.311 3.756 5.828 0.158 9 0 "[ . 1]" 1
673 1 35 THR MG 1 44 TYR HA 5.620 . 6.020 5.024 3.854 5.407 . 0 0 "[ . 1]" 1
674 1 35 THR MG 1 44 TYR QD 4.170 . 4.570 3.597 2.372 3.940 . 0 0 "[ . 1]" 1
675 1 35 THR MG 1 44 TYR QE 4.820 . 4.820 4.069 3.805 4.229 . 0 0 "[ . 1]" 1
676 1 35 THR MG 1 45 TYR H 5.520 . 5.920 4.857 3.450 5.385 . 0 0 "[ . 1]" 1
677 1 36 LYS H 1 36 LYS HB2 4.240 . 4.240 2.966 2.934 3.012 . 0 0 "[ . 1]" 1
678 1 36 LYS H 1 36 LYS HB3 4.290 . 4.290 2.654 2.605 2.702 . 0 0 "[ . 1]" 1
679 1 36 LYS H 1 36 LYS QD 5.360 . 5.360 4.771 4.695 5.078 . 0 0 "[ . 1]" 1
680 1 36 LYS H 1 36 LYS HG2 5.720 . 5.720 4.540 4.514 4.574 . 0 0 "[ . 1]" 1
681 1 36 LYS H 1 37 PRO HA 5.570 . 5.570 4.813 4.743 4.857 . 0 0 "[ . 1]" 1
682 1 36 LYS H 1 37 PRO HD2 5.180 . 5.180 4.649 4.511 4.782 . 0 0 "[ . 1]" 1
683 1 36 LYS H 1 37 PRO HD3 5.030 . 5.030 3.782 3.615 3.922 . 0 0 "[ . 1]" 1
684 1 36 LYS H 1 38 ASP H 5.460 . 5.460 5.218 5.150 5.295 . 0 0 "[ . 1]" 1
685 1 36 LYS H 1 42 VAL MG1 4.640 . 4.640 3.717 3.666 3.807 . 0 0 "[ . 1]" 1
686 1 36 LYS H 1 43 GLU H 4.720 . 6.000 5.154 4.821 5.373 . 0 0 "[ . 1]" 1
687 1 36 LYS H 1 44 TYR HA 4.550 . 4.550 3.180 3.094 3.270 . 0 0 "[ . 1]" 1
688 1 36 LYS H 1 44 TYR QD 5.100 . 5.100 3.623 3.262 3.840 . 0 0 "[ . 1]" 1
689 1 36 LYS H 1 44 TYR QE 5.530 . 5.530 4.159 3.866 4.359 . 0 0 "[ . 1]" 1
690 1 36 LYS HA 1 36 LYS QD 4.640 . 4.640 3.956 3.874 3.993 . 0 0 "[ . 1]" 1
691 1 36 LYS HA 1 37 PRO HD2 4.210 . 4.210 2.353 2.335 2.380 . 0 0 "[ . 1]" 1
692 1 36 LYS HA 1 37 PRO HD3 4.030 . 4.030 2.756 2.660 2.852 . 0 0 "[ . 1]" 1
693 1 36 LYS HA 1 37 PRO QG 4.830 . 4.830 4.164 4.145 4.176 . 0 0 "[ . 1]" 1
694 1 36 LYS HA 1 38 ASP H 4.630 . 4.630 3.302 3.243 3.384 . 0 0 "[ . 1]" 1
695 1 36 LYS HA 1 38 ASP QB 5.140 . 5.140 4.301 4.115 4.542 . 0 0 "[ . 1]" 1
696 1 36 LYS HA 1 42 VAL MG2 4.710 . 4.710 4.322 4.308 4.348 . 0 0 "[ . 1]" 1
697 1 36 LYS HB2 1 36 LYS QD 3.840 . 3.840 2.411 2.396 2.441 . 0 0 "[ . 1]" 1
698 1 36 LYS HB2 1 37 PRO HD2 5.730 . 5.730 4.812 4.786 4.832 . 0 0 "[ . 1]" 1
699 1 36 LYS HB2 1 38 ASP H 4.860 . 5.260 4.811 4.780 4.840 . 0 0 "[ . 1]" 1
700 1 36 LYS HB2 1 42 VAL MG1 4.680 . 4.980 4.982 4.936 5.025 0.045 4 0 "[ . 1]" 1
701 1 36 LYS HB2 1 43 GLU H 4.400 . 6.000 5.248 5.079 5.336 . 0 0 "[ . 1]" 1
702 1 36 LYS HB2 1 43 GLU HG3 4.900 . 4.900 4.180 3.889 4.653 . 0 0 "[ . 1]" 1
703 1 36 LYS HB3 1 36 LYS QE 5.120 . 5.120 3.742 2.316 4.257 . 0 0 "[ . 1]" 1
704 1 36 LYS HB3 1 37 PRO HD2 5.730 . 5.730 5.054 5.022 5.074 . 0 0 "[ . 1]" 1
705 1 36 LYS HB3 1 43 GLU HG2 5.230 . 5.230 4.090 3.577 5.156 . 0 0 "[ . 1]" 1
706 1 36 LYS QD 1 38 ASP H 5.900 . 5.900 4.589 4.351 4.705 . 0 0 "[ . 1]" 1
707 1 36 LYS QD 1 38 ASP QB 5.270 . 5.270 3.845 3.178 4.088 . 0 0 "[ . 1]" 1
708 1 36 LYS QD 1 43 GLU HG2 4.690 . 4.690 3.824 3.113 4.676 . 0 0 "[ . 1]" 1
709 1 36 LYS QD 1 43 GLU HG3 5.120 . 5.120 3.759 3.168 4.473 . 0 0 "[ . 1]" 1
710 1 36 LYS QE 1 39 ALA H 4.650 . 5.150 5.075 4.887 5.401 0.251 3 0 "[ . 1]" 1
711 1 36 LYS QE 1 42 VAL MG2 4.280 . 4.280 3.247 2.136 3.760 . 0 0 "[ . 1]" 1
712 1 36 LYS HG2 1 37 PRO QG 6.000 . 6.000 5.426 5.316 5.526 . 0 0 "[ . 1]" 1
713 1 36 LYS HG2 1 38 ASP H 5.460 . 5.460 2.547 2.350 2.645 . 0 0 "[ . 1]" 1
714 1 36 LYS HG3 1 37 PRO QG 5.670 . 5.670 5.438 5.194 5.529 . 0 0 "[ . 1]" 1
715 1 36 LYS HG3 1 39 ALA H 5.870 . 5.870 5.386 5.068 5.678 . 0 0 "[ . 1]" 1
716 1 36 LYS HG3 1 43 GLU HG3 5.020 . 6.000 6.005 5.711 6.097 0.097 6 0 "[ . 1]" 1
717 1 37 PRO HA 1 39 ALA H 4.280 . 4.280 3.066 3.011 3.123 . 0 0 "[ . 1]" 1
718 1 37 PRO HA 1 42 VAL MG1 4.070 . 4.070 2.684 2.555 2.823 . 0 0 "[ . 1]" 1
719 1 37 PRO HA 1 42 VAL MG2 3.890 . 4.190 4.066 3.865 4.175 . 0 0 "[ . 1]" 1
720 1 37 PRO QB 1 38 ASP H 4.630 . 4.630 3.907 3.878 3.956 . 0 0 "[ . 1]" 1
721 1 37 PRO QB 1 39 ALA H 5.020 . 5.020 4.320 4.202 4.430 . 0 0 "[ . 1]" 1
722 1 37 PRO QB 1 42 VAL MG1 4.820 . 4.820 4.177 4.052 4.300 . 0 0 "[ . 1]" 1
723 1 37 PRO HD2 1 38 ASP H 4.460 . 4.460 2.948 2.760 3.088 . 0 0 "[ . 1]" 1
724 1 37 PRO HD3 1 38 ASP H 4.080 . 5.080 4.022 3.912 4.117 . 0 0 "[ . 1]" 1
725 1 37 PRO HD3 1 38 ASP QB 5.350 . 5.650 5.510 5.258 5.853 0.203 9 0 "[ . 1]" 1
726 1 37 PRO HD3 1 42 VAL MG2 5.020 . 5.820 5.568 5.500 5.606 . 0 0 "[ . 1]" 1
727 1 37 PRO QG 1 38 ASP H 4.820 . 4.820 3.356 3.272 3.519 . 0 0 "[ . 1]" 1
728 1 37 PRO QG 1 38 ASP HA 5.330 . 5.330 3.960 3.876 4.040 . 0 0 "[ . 1]" 1
729 1 37 PRO QG 1 38 ASP QB 5.280 . 5.280 4.392 4.033 4.827 . 0 0 "[ . 1]" 1
730 1 38 ASP H 1 38 ASP QB 3.380 . 3.380 2.302 2.236 2.400 . 0 0 "[ . 1]" 1
731 1 38 ASP H 1 39 ALA H 3.270 . 3.270 2.761 2.676 2.837 . 0 0 "[ . 1]" 1
732 1 38 ASP H 1 39 ALA HA 5.450 . 5.450 5.366 5.322 5.406 . 0 0 "[ . 1]" 1
733 1 38 ASP H 1 39 ALA MB 5.090 . 5.090 4.327 4.222 4.381 . 0 0 "[ . 1]" 1
734 1 38 ASP H 1 42 VAL HB 4.610 . 5.510 5.391 5.162 5.482 . 0 0 "[ . 1]" 1
735 1 38 ASP H 1 42 VAL MG1 5.180 . 5.180 4.342 4.264 4.402 . 0 0 "[ . 1]" 1
736 1 38 ASP H 1 42 VAL MG2 5.060 . 5.060 3.792 3.502 3.930 . 0 0 "[ . 1]" 1
737 1 38 ASP HA 1 39 ALA H 3.740 . 3.740 3.231 3.188 3.324 . 0 0 "[ . 1]" 1
738 1 38 ASP HA 1 39 ALA MB 5.200 . 5.200 4.514 4.476 4.604 . 0 0 "[ . 1]" 1
739 1 38 ASP HA 1 42 VAL MG2 4.630 . 5.630 5.623 5.353 5.783 0.153 5 0 "[ . 1]" 1
740 1 38 ASP QB 1 39 ALA H 4.220 . 4.220 3.508 3.353 3.578 . 0 0 "[ . 1]" 1
741 1 38 ASP QB 1 39 ALA HA 5.260 . 5.260 4.768 4.601 4.893 . 0 0 "[ . 1]" 1
742 1 38 ASP QB 1 42 VAL MG1 5.560 . 5.560 5.376 5.226 5.463 . 0 0 "[ . 1]" 1
743 1 38 ASP QB 1 42 VAL MG2 4.500 . 4.500 4.083 3.850 4.205 . 0 0 "[ . 1]" 1
744 1 39 ALA H 1 39 ALA MB 3.030 . 3.030 2.787 2.691 2.821 . 0 0 "[ . 1]" 1
745 1 39 ALA H 1 40 THR H 4.530 . 4.530 4.367 4.342 4.402 . 0 0 "[ . 1]" 1
746 1 39 ALA H 1 40 THR MG 4.430 . 4.430 3.722 3.633 3.818 . 0 0 "[ . 1]" 1
747 1 39 ALA H 1 42 VAL HB 5.310 . 5.310 3.646 3.461 3.734 . 0 0 "[ . 1]" 1
748 1 39 ALA H 1 42 VAL MG1 4.090 . 4.090 3.467 3.288 3.619 . 0 0 "[ . 1]" 1
749 1 39 ALA H 1 42 VAL MG2 5.150 . 5.150 3.387 3.130 3.556 . 0 0 "[ . 1]" 1
750 1 39 ALA HA 1 40 THR H 3.550 . 3.550 2.318 2.299 2.343 . 0 0 "[ . 1]" 1
751 1 39 ALA HA 1 42 VAL MG2 4.570 . 5.270 4.881 4.624 5.117 . 0 0 "[ . 1]" 1
752 1 39 ALA MB 1 40 THR H 3.400 . 3.400 2.504 2.438 2.568 . 0 0 "[ . 1]" 1
753 1 39 ALA MB 1 42 VAL H 5.090 . 5.390 5.182 4.957 5.386 . 0 0 "[ . 1]" 1
754 1 39 ALA MB 1 42 VAL HA 4.110 . 4.110 3.751 3.382 4.034 . 0 0 "[ . 1]" 1
755 1 39 ALA MB 1 42 VAL HB 4.270 . 4.270 2.476 2.391 2.657 . 0 0 "[ . 1]" 1
756 1 39 ALA MB 1 43 GLU H 4.270 . 5.070 4.825 4.536 5.112 0.042 6 0 "[ . 1]" 1
757 1 40 THR H 1 40 THR MG 4.070 . 4.070 2.939 2.911 2.981 . 0 0 "[ . 1]" 1
758 1 40 THR HA 1 40 THR MG 3.670 . 3.670 2.384 2.369 2.396 . 0 0 "[ . 1]" 1
759 1 40 THR HA 1 41 PRO HD3 5.620 . 5.620 4.565 4.538 4.591 . 0 0 "[ . 1]" 1
760 1 40 THR HA 1 42 VAL H 4.270 . 4.270 3.940 3.832 4.103 . 0 0 "[ . 1]" 1
761 1 40 THR MG 1 42 VAL HB 4.470 . 4.970 4.429 4.382 4.471 . 0 0 "[ . 1]" 1
762 1 41 PRO HA 1 42 VAL H 3.690 . 3.690 2.563 2.511 2.646 . 0 0 "[ . 1]" 1
763 1 41 PRO HA 1 42 VAL HB 4.610 . 4.610 4.205 4.124 4.263 . 0 0 "[ . 1]" 1
764 1 41 PRO HD3 1 42 VAL H 4.350 . 5.850 5.486 5.376 5.777 . 0 0 "[ . 1]" 1
765 1 42 VAL H 1 42 VAL HB 3.390 . 3.890 3.429 3.379 3.464 . 0 0 "[ . 1]" 1
766 1 42 VAL H 1 42 VAL MG1 4.380 . 4.380 2.559 2.518 2.654 . 0 0 "[ . 1]" 1
767 1 42 VAL H 1 42 VAL MG2 4.420 . 4.420 4.133 4.116 4.171 . 0 0 "[ . 1]" 1
768 1 42 VAL H 1 43 GLU H 5.090 . 5.090 4.394 4.358 4.411 . 0 0 "[ . 1]" 1
769 1 42 VAL H 1 43 GLU HA 5.700 . 5.700 4.806 4.784 4.827 . 0 0 "[ . 1]" 1
770 1 42 VAL H 1 44 TYR QD 5.790 . 5.790 5.148 4.921 5.324 . 0 0 "[ . 1]" 1
771 1 42 VAL H 1 44 TYR QE 4.710 . 4.710 3.340 3.131 3.594 . 0 0 "[ . 1]" 1
772 1 42 VAL H 1 61 GLU H 4.810 . 4.810 4.299 3.980 4.656 . 0 0 "[ . 1]" 1
773 1 42 VAL HA 1 42 VAL MG2 3.740 . 3.740 2.318 2.285 2.335 . 0 0 "[ . 1]" 1
774 1 42 VAL HA 1 43 GLU H 3.650 . 3.650 2.594 2.515 2.760 . 0 0 "[ . 1]" 1
775 1 42 VAL HA 1 43 GLU HA 5.400 . 5.400 4.466 4.428 4.541 . 0 0 "[ . 1]" 1
776 1 42 VAL HB 1 43 GLU H 5.090 . 5.090 3.704 3.619 3.748 . 0 0 "[ . 1]" 1
777 1 42 VAL HB 1 44 TYR QE 5.180 . 5.580 5.081 4.883 5.272 . 0 0 "[ . 1]" 1
778 1 42 VAL MG1 1 43 GLU H 3.840 . 3.840 2.999 2.586 3.194 . 0 0 "[ . 1]" 1
779 1 42 VAL MG1 1 43 GLU HA 5.150 . 5.150 4.026 3.794 4.138 . 0 0 "[ . 1]" 1
780 1 42 VAL MG1 1 43 GLU HG3 4.530 . 4.830 4.693 4.458 4.852 0.022 10 0 "[ . 1]" 1
781 1 42 VAL MG1 1 44 TYR H 5.680 . 5.680 4.967 4.764 5.112 . 0 0 "[ . 1]" 1
782 1 42 VAL MG1 1 44 TYR QE 4.280 . 4.280 2.649 2.460 2.839 . 0 0 "[ . 1]" 1
783 1 42 VAL MG1 1 61 GLU H 5.960 . 5.960 4.766 4.509 5.027 . 0 0 "[ . 1]" 1
784 1 42 VAL MG2 1 43 GLU H 4.910 . 5.610 1.695 1.645 1.729 0.155 4 0 "[ . 1]" 1
785 1 42 VAL MG2 1 43 GLU HA 5.780 . 5.780 4.009 3.954 4.131 . 0 0 "[ . 1]" 1
786 1 42 VAL MG2 1 43 GLU HB2 4.640 . 4.640 4.508 4.220 4.617 . 0 0 "[ . 1]" 1
787 1 42 VAL MG2 1 44 TYR QE 5.250 . 5.250 4.418 4.314 4.638 . 0 0 "[ . 1]" 1
788 1 43 GLU H 1 43 GLU HG2 5.310 . 5.310 2.072 1.859 3.413 . 0 0 "[ . 1]" 1
789 1 43 GLU H 1 43 GLU HG3 4.770 . 4.770 2.701 1.832 2.958 . 0 0 "[ . 1]" 1
790 1 43 GLU H 1 44 TYR H 5.410 . 5.410 4.506 4.460 4.541 . 0 0 "[ . 1]" 1
791 1 43 GLU H 1 44 TYR HA 6.000 . 6.000 5.190 5.036 5.285 . 0 0 "[ . 1]" 1
792 1 43 GLU H 1 44 TYR QD 5.130 . 5.130 4.792 4.585 4.948 . 0 0 "[ . 1]" 1
793 1 43 GLU H 1 44 TYR QE 5.490 . 5.490 4.782 4.555 4.926 . 0 0 "[ . 1]" 1
794 1 43 GLU H 1 60 PRO HA 5.510 . 5.510 5.192 5.004 5.459 . 0 0 "[ . 1]" 1
795 1 43 GLU HA 1 44 TYR H 3.770 . 3.770 2.334 2.294 2.397 . 0 0 "[ . 1]" 1
796 1 43 GLU HA 1 44 TYR HB3 5.280 . 5.680 5.581 5.544 5.604 . 0 0 "[ . 1]" 1
797 1 43 GLU HA 1 44 TYR QD 4.690 . 4.690 2.807 2.635 3.015 . 0 0 "[ . 1]" 1
798 1 43 GLU HA 1 59 VAL H 5.190 . 5.190 4.523 4.142 4.774 . 0 0 "[ . 1]" 1
799 1 43 GLU HA 1 60 PRO HA 4.650 . 4.650 2.624 2.428 2.775 . 0 0 "[ . 1]" 1
800 1 43 GLU HA 1 61 GLU H 4.920 . 4.920 4.254 3.908 4.548 . 0 0 "[ . 1]" 1
801 1 43 GLU HB2 1 44 TYR H 4.510 . 4.510 2.533 2.386 2.685 . 0 0 "[ . 1]" 1
802 1 43 GLU HB2 1 44 TYR QD 6.000 . 6.000 4.683 4.543 4.862 . 0 0 "[ . 1]" 1
803 1 43 GLU HB3 1 44 TYR H 4.770 . 4.770 3.731 3.356 3.831 . 0 0 "[ . 1]" 1
804 1 43 GLU HB3 1 58 TRP HA 6.000 . 6.000 5.776 5.407 6.117 0.117 8 0 "[ . 1]" 1
805 1 43 GLU HG2 1 44 TYR H 4.900 . 4.900 4.805 4.684 5.039 0.139 3 0 "[ . 1]" 1
806 1 43 GLU HG3 1 44 TYR H 5.560 . 5.560 4.028 3.736 4.693 . 0 0 "[ . 1]" 1
807 1 44 TYR H 1 44 TYR QD 4.830 . 4.830 2.727 2.607 2.887 . 0 0 "[ . 1]" 1
808 1 44 TYR H 1 44 TYR QE 5.390 . 5.390 4.778 4.696 4.885 . 0 0 "[ . 1]" 1
809 1 44 TYR H 1 45 TYR H 5.500 . 5.500 4.399 4.375 4.427 . 0 0 "[ . 1]" 1
810 1 44 TYR H 1 46 ILE MD 5.880 . 5.880 4.871 3.868 5.309 . 0 0 "[ . 1]" 1
811 1 44 TYR H 1 46 ILE QG 5.450 . 5.450 4.716 4.282 5.728 0.278 4 0 "[ . 1]" 1
812 1 44 TYR H 1 58 TRP HA 4.950 . 4.950 4.048 3.814 4.279 . 0 0 "[ . 1]" 1
813 1 44 TYR H 1 58 TRP QB 5.920 . 5.920 4.336 4.013 4.616 . 0 0 "[ . 1]" 1
814 1 44 TYR H 1 59 VAL H 4.390 . 4.390 2.837 2.542 3.067 . 0 0 "[ . 1]" 1
815 1 44 TYR H 1 59 VAL HA 5.230 . 5.230 4.657 4.503 4.740 . 0 0 "[ . 1]" 1
816 1 44 TYR H 1 59 VAL MG2 4.700 . 4.700 3.947 3.524 4.220 . 0 0 "[ . 1]" 1
817 1 44 TYR H 1 60 PRO HA 4.810 . 4.810 3.853 3.591 4.250 . 0 0 "[ . 1]" 1
818 1 44 TYR H 1 61 GLU H 6.000 . 6.000 5.305 4.958 5.497 . 0 0 "[ . 1]" 1
819 1 44 TYR H 1 64 VAL QG 5.910 . 5.910 4.696 4.312 4.968 . 0 0 "[ . 1]" 1
820 1 44 TYR HA 1 44 TYR QD 4.380 . 4.380 2.997 2.912 3.080 . 0 0 "[ . 1]" 1
821 1 44 TYR HA 1 44 TYR QE 5.370 . 5.370 4.636 4.613 4.678 . 0 0 "[ . 1]" 1
822 1 44 TYR HA 1 45 TYR QB 5.480 . 5.480 4.019 3.913 4.132 . 0 0 "[ . 1]" 1
823 1 44 TYR HA 1 46 ILE MD 5.590 . 5.590 4.592 3.909 5.099 . 0 0 "[ . 1]" 1
824 1 44 TYR HB2 1 45 TYR H 4.880 . 4.880 3.912 3.770 4.039 . 0 0 "[ . 1]" 1
825 1 44 TYR HB2 1 46 ILE MD 4.570 . 4.570 2.942 2.310 3.274 . 0 0 "[ . 1]" 1
826 1 44 TYR HB2 1 64 VAL MG1 5.780 . 5.780 4.491 4.022 4.826 . 0 0 "[ . 1]" 1
827 1 44 TYR HB2 1 64 VAL QG 4.650 . 4.650 2.974 2.774 3.144 . 0 0 "[ . 1]" 1
828 1 44 TYR HB2 1 64 VAL MG2 5.780 . 5.780 3.021 2.802 3.216 . 0 0 "[ . 1]" 1
829 1 44 TYR HB3 1 46 ILE MD 4.310 . 4.310 2.828 2.430 3.094 . 0 0 "[ . 1]" 1
830 1 44 TYR HB3 1 59 VAL MG2 5.490 . 5.490 4.668 4.176 5.031 . 0 0 "[ . 1]" 1
831 1 44 TYR HB3 1 64 VAL MG1 4.770 . 4.770 4.643 4.461 4.772 0.002 1 0 "[ . 1]" 1
832 1 44 TYR HB3 1 64 VAL QG 3.980 . 3.980 3.700 3.484 3.893 . 0 0 "[ . 1]" 1
833 1 44 TYR HB3 1 64 VAL MG2 4.770 . 4.770 3.899 3.620 4.178 . 0 0 "[ . 1]" 1
834 1 44 TYR QD 1 46 ILE MD 5.050 . 5.050 4.224 3.866 4.396 . 0 0 "[ . 1]" 1
835 1 44 TYR QD 1 59 VAL MG2 5.330 . 5.330 4.404 3.840 4.698 . 0 0 "[ . 1]" 1
836 1 44 TYR QD 1 60 PRO QB 6.000 . 6.000 4.663 4.330 5.244 . 0 0 "[ . 1]" 1
837 1 44 TYR QD 1 61 GLU H 5.470 . 5.470 3.071 2.797 3.537 . 0 0 "[ . 1]" 1
838 1 44 TYR QD 1 61 GLU HA 4.310 . 4.310 3.612 3.436 3.715 . 0 0 "[ . 1]" 1
839 1 44 TYR QD 1 64 VAL MG1 5.620 . 5.620 4.837 4.615 4.962 . 0 0 "[ . 1]" 1
840 1 44 TYR QD 1 64 VAL QG 4.110 . 4.110 3.605 3.306 3.878 . 0 0 "[ . 1]" 1
841 1 44 TYR QD 1 64 VAL MG2 5.620 . 5.620 3.723 3.382 4.049 . 0 0 "[ . 1]" 1
842 1 44 TYR QE 1 61 GLU H 5.320 . 5.320 2.631 2.258 3.139 . 0 0 "[ . 1]" 1
843 1 44 TYR QE 1 61 GLU HA 4.110 . 4.110 3.852 3.700 3.995 . 0 0 "[ . 1]" 1
844 1 45 TYR H 1 45 TYR QD 5.630 . 5.630 4.326 4.286 4.376 . 0 0 "[ . 1]" 1
845 1 45 TYR H 1 46 ILE H 5.270 . 5.270 4.264 4.158 4.414 . 0 0 "[ . 1]" 1
846 1 45 TYR H 1 46 ILE QG 6.000 . 6.000 4.424 3.667 5.668 . 0 0 "[ . 1]" 1
847 1 45 TYR H 1 59 VAL MG2 5.900 . 5.900 5.634 5.339 5.911 0.011 8 0 "[ . 1]" 1
848 1 45 TYR HA 1 45 TYR QD 4.080 . 4.080 2.964 2.229 3.111 . 0 0 "[ . 1]" 1
849 1 45 TYR HA 1 45 TYR QE 5.000 . 5.000 4.578 4.409 4.626 . 0 0 "[ . 1]" 1
850 1 45 TYR HA 1 58 TRP H 5.870 . 5.870 5.200 4.939 5.507 . 0 0 "[ . 1]" 1
851 1 45 TYR HA 1 58 TRP HA 5.040 . 5.040 3.038 2.620 3.180 . 0 0 "[ . 1]" 1
852 1 45 TYR HA 1 59 VAL H 5.050 . 5.050 4.283 3.979 4.554 . 0 0 "[ . 1]" 1
853 1 45 TYR QB 1 46 ILE MD 5.530 . 5.530 4.518 4.062 5.536 0.006 1 0 "[ . 1]" 1
854 1 45 TYR QB 1 58 TRP HZ2 5.670 . 5.670 4.213 3.124 4.557 . 0 0 "[ . 1]" 1
855 1 45 TYR QD 1 46 ILE H 4.900 . 4.900 3.472 2.389 3.834 . 0 0 "[ . 1]" 1
856 1 45 TYR QD 1 58 TRP H 5.310 . 6.000 5.906 4.592 6.173 0.173 4 0 "[ . 1]" 1
857 1 45 TYR QD 1 58 TRP HA 4.320 . 5.420 4.885 3.626 5.215 . 0 0 "[ . 1]" 1
858 1 45 TYR QD 1 58 TRP HD1 4.930 . 4.930 4.379 3.764 4.990 0.060 6 0 "[ . 1]" 1
859 1 45 TYR QD 1 58 TRP HE1 5.100 . 5.100 2.904 2.310 3.732 . 0 0 "[ . 1]" 1
860 1 45 TYR QE 1 56 ASP HB2 4.940 . 4.940 3.791 2.504 4.604 . 0 0 "[ . 1]" 1
861 1 45 TYR QE 1 56 ASP QB 4.110 . 4.110 3.061 2.335 4.118 0.008 8 0 "[ . 1]" 1
862 1 45 TYR QE 1 56 ASP HB3 4.940 . 4.940 3.492 2.735 4.640 . 0 0 "[ . 1]" 1
863 1 45 TYR QE 1 57 GLU H 5.290 . 5.290 4.175 2.322 4.537 . 0 0 "[ . 1]" 1
864 1 46 ILE H 1 46 ILE HB 4.180 . 4.180 2.617 2.288 2.942 . 0 0 "[ . 1]" 1
865 1 46 ILE H 1 46 ILE MD 5.020 . 5.020 3.422 2.630 4.250 . 0 0 "[ . 1]" 1
866 1 46 ILE H 1 46 ILE QG 4.640 . 4.640 2.826 2.481 3.898 . 0 0 "[ . 1]" 1
867 1 46 ILE H 1 47 HIS H 5.800 . 5.800 4.455 4.375 4.497 . 0 0 "[ . 1]" 1
868 1 46 ILE H 1 47 HIS HA 6.000 . 6.000 5.140 4.937 5.234 . 0 0 "[ . 1]" 1
869 1 46 ILE H 1 56 ASP HA 6.000 . 6.000 5.309 4.960 5.747 . 0 0 "[ . 1]" 1
870 1 46 ILE H 1 57 GLU H 4.310 . 5.010 4.290 4.099 4.685 . 0 0 "[ . 1]" 1
871 1 46 ILE H 1 57 GLU QG 5.780 . 5.780 4.847 4.403 5.214 . 0 0 "[ . 1]" 1
872 1 46 ILE H 1 58 TRP HA 4.840 . 4.840 3.236 3.037 3.398 . 0 0 "[ . 1]" 1
873 1 46 ILE H 1 59 VAL H 5.280 . 5.280 4.014 3.776 4.233 . 0 0 "[ . 1]" 1
874 1 46 ILE H 1 59 VAL MG2 5.060 . 5.060 3.630 3.321 3.822 . 0 0 "[ . 1]" 1
875 1 46 ILE HA 1 46 ILE MD 4.110 . 4.110 2.575 2.221 3.836 . 0 0 "[ . 1]" 1
876 1 46 ILE HA 1 47 HIS H 3.840 . 3.840 2.182 2.137 2.223 . 0 0 "[ . 1]" 1
877 1 46 ILE HA 1 59 VAL MG2 5.910 . 5.910 4.874 4.589 5.272 . 0 0 "[ . 1]" 1
878 1 46 ILE HB 1 47 HIS H 5.190 . 5.190 3.972 3.760 4.310 . 0 0 "[ . 1]" 1
879 1 46 ILE HB 1 47 HIS HA 6.000 . 6.000 4.747 4.557 5.196 . 0 0 "[ . 1]" 1
880 1 46 ILE HB 1 57 GLU H 5.570 . 5.770 5.053 4.839 5.425 . 0 0 "[ . 1]" 1
881 1 46 ILE HB 1 59 VAL MG1 4.490 . 4.490 4.164 3.232 4.441 . 0 0 "[ . 1]" 1
882 1 46 ILE HB 1 59 VAL MG2 4.420 . 4.420 2.605 2.302 3.096 . 0 0 "[ . 1]" 1
883 1 46 ILE MD 1 46 ILE MG 3.660 . 3.660 2.253 1.961 3.307 . 0 0 "[ . 1]" 1
884 1 46 ILE MD 1 47 HIS H 4.690 . 4.690 4.041 3.710 4.839 0.149 2 0 "[ . 1]" 1
885 1 46 ILE MD 1 59 VAL H 6.000 . 6.000 4.575 3.683 4.996 . 0 0 "[ . 1]" 1
886 1 46 ILE MD 1 59 VAL MG1 5.610 . 5.610 5.141 4.132 5.729 0.119 8 0 "[ . 1]" 1
887 1 46 ILE MD 1 59 VAL MG2 4.700 . 4.700 3.121 2.137 3.853 . 0 0 "[ . 1]" 1
888 1 46 ILE MD 1 64 VAL H 6.000 . 6.000 5.780 4.933 6.172 0.172 7 0 "[ . 1]" 1
889 1 46 ILE MD 1 64 VAL HA 5.910 . 5.910 4.618 3.797 5.130 . 0 0 "[ . 1]" 1
890 1 46 ILE MD 1 64 VAL HB 4.790 . 4.790 4.497 4.238 4.766 . 0 0 "[ . 1]" 1
891 1 46 ILE MD 1 64 VAL MG1 4.870 . 4.870 2.738 2.566 2.973 . 0 0 "[ . 1]" 1
892 1 46 ILE MD 1 64 VAL QG 3.980 . 3.980 2.251 1.955 2.467 . 0 0 "[ . 1]" 1
893 1 46 ILE MD 1 64 VAL MG2 4.870 . 4.870 2.409 2.010 2.649 . 0 0 "[ . 1]" 1
894 1 46 ILE QG 1 47 HIS H 6.000 . 6.000 4.386 3.710 4.695 . 0 0 "[ . 1]" 1
895 1 46 ILE QG 1 59 VAL H 5.830 . 5.830 3.771 3.244 4.892 . 0 0 "[ . 1]" 1
896 1 46 ILE QG 1 59 VAL HB 5.200 . 5.200 4.848 4.243 5.456 0.256 2 0 "[ . 1]" 1
897 1 46 ILE QG 1 64 VAL QG 4.690 . 4.690 2.519 2.148 3.491 . 0 0 "[ . 1]" 1
898 1 46 ILE MG 1 47 HIS H 4.300 . 4.300 2.359 2.106 2.541 . 0 0 "[ . 1]" 1
899 1 46 ILE MG 1 47 HIS HA 4.840 . 4.840 3.586 3.317 3.797 . 0 0 "[ . 1]" 1
900 1 46 ILE MG 1 48 TYR HA 5.480 . 5.480 4.356 4.005 4.486 . 0 0 "[ . 1]" 1
901 1 46 ILE MG 1 48 TYR QD 5.230 . 5.230 4.640 4.201 5.244 0.014 2 0 "[ . 1]" 1
902 1 46 ILE MG 1 57 GLU H 6.000 . 6.000 5.263 4.475 5.740 . 0 0 "[ . 1]" 1
903 1 46 ILE MG 1 57 GLU QG 5.830 . 5.830 4.329 3.369 5.630 . 0 0 "[ . 1]" 1
904 1 46 ILE MG 1 59 VAL MG1 4.950 . 4.950 4.600 3.387 5.080 0.130 8 0 "[ . 1]" 1
905 1 46 ILE MG 1 59 VAL MG2 4.770 . 4.770 3.280 2.960 3.746 . 0 0 "[ . 1]" 1
906 1 46 ILE MG 1 64 VAL QG 5.720 . 5.720 3.408 3.013 3.759 . 0 0 "[ . 1]" 1
907 1 47 HIS H 1 47 HIS HD2 5.310 . 5.310 2.564 2.132 4.145 . 0 0 "[ . 1]" 1
908 1 47 HIS H 1 48 TYR H 5.600 . 5.600 4.327 4.281 4.350 . 0 0 "[ . 1]" 1
909 1 47 HIS H 1 48 TYR HA 6.000 . 6.000 4.794 4.750 4.873 . 0 0 "[ . 1]" 1
910 1 48 TYR H 1 48 TYR QD 4.900 . 4.900 2.506 2.070 4.080 . 0 0 "[ . 1]" 1
911 1 48 TYR H 1 49 ALA H 6.000 . 6.000 4.569 4.473 4.608 . 0 0 "[ . 1]" 1
912 1 48 TYR H 1 51 TRP HB2 6.000 . 6.000 4.074 3.685 4.605 . 0 0 "[ . 1]" 1
913 1 48 TYR H 1 51 TRP QB 5.130 . 5.130 3.952 3.588 4.463 . 0 0 "[ . 1]" 1
914 1 48 TYR H 1 51 TRP HB3 6.000 . 6.000 5.331 4.933 5.984 . 0 0 "[ . 1]" 1
915 1 48 TYR H 1 51 TRP HD1 6.000 . 6.000 4.929 4.559 5.668 . 0 0 "[ . 1]" 1
916 1 48 TYR HA 1 49 ALA H 3.820 . 3.820 2.169 2.134 2.194 . 0 0 "[ . 1]" 1
917 1 48 TYR HA 1 49 ALA MB 4.570 . 4.570 4.003 3.984 4.025 . 0 0 "[ . 1]" 1
918 1 48 TYR HA 1 51 TRP HD1 5.070 . 5.070 4.368 4.099 5.151 0.081 3 0 "[ . 1]" 1
919 1 48 TYR QD 1 49 ALA H 5.570 . 5.570 3.967 3.356 4.206 . 0 0 "[ . 1]" 1
920 1 48 TYR QE 1 57 GLU HG2 6.000 . 6.000 4.203 2.484 4.959 . 0 0 "[ . 1]" 1
921 1 48 TYR QE 1 57 GLU HG3 6.000 . 6.000 4.489 4.143 5.958 . 0 0 "[ . 1]" 1
922 1 49 ALA H 1 49 ALA MB 3.600 . 3.600 2.232 2.225 2.239 . 0 0 "[ . 1]" 1
923 1 49 ALA H 1 51 TRP QB 5.760 . 5.760 5.144 5.051 5.509 . 0 0 "[ . 1]" 1
924 1 49 ALA HA 1 51 TRP H 4.810 . 4.810 3.408 3.209 3.620 . 0 0 "[ . 1]" 1
925 1 49 ALA MB 1 51 TRP H 5.430 . 5.430 4.514 4.332 4.716 . 0 0 "[ . 1]" 1
926 1 49 ALA MB 1 51 TRP HD1 5.240 . 5.240 4.500 4.212 4.909 . 0 0 "[ . 1]" 1
927 1 50 GLY QA 1 51 TRP HD1 5.870 . 5.870 3.902 3.480 4.046 . 0 0 "[ . 1]" 1
928 1 51 TRP H 1 51 TRP HD1 4.830 . 4.830 3.472 3.240 3.663 . 0 0 "[ . 1]" 1
929 1 51 TRP H 1 51 TRP HE1 6.000 . 6.000 5.482 5.329 5.594 . 0 0 "[ . 1]" 1
930 1 51 TRP HA 1 51 TRP HD1 4.710 . 4.710 4.332 4.207 4.416 . 0 0 "[ . 1]" 1
931 1 53 LYS HA 1 53 LYS QD 4.730 . 4.730 4.198 3.980 4.298 . 0 0 "[ . 1]" 1
932 1 53 LYS HA 1 55 TRP H 5.040 . 5.040 3.340 3.231 3.475 . 0 0 "[ . 1]" 1
933 1 53 LYS HA 1 56 ASP H 4.650 . 4.650 3.706 3.403 4.040 . 0 0 "[ . 1]" 1
934 1 53 LYS QB 1 54 ASN H 5.160 . 5.160 3.627 3.211 3.904 . 0 0 "[ . 1]" 1
935 1 53 LYS QB 1 56 ASP H 5.350 . 5.350 4.464 4.251 4.706 . 0 0 "[ . 1]" 1
936 1 53 LYS QE 1 53 LYS QG 3.480 . 3.480 2.304 2.152 2.374 . 0 0 "[ . 1]" 1
937 1 53 LYS QG 1 54 ASN H 5.740 . 5.740 3.498 2.886 4.306 . 0 0 "[ . 1]" 1
938 1 53 LYS QG 1 56 ASP H 6.000 . 6.000 5.305 5.020 5.844 . 0 0 "[ . 1]" 1
939 1 54 ASN H 1 55 TRP H 4.830 . 4.830 2.592 2.563 2.624 . 0 0 "[ . 1]" 1
940 1 54 ASN H 1 56 ASP H 5.290 . 5.290 4.402 4.286 4.658 . 0 0 "[ . 1]" 1
941 1 54 ASN HA 1 56 ASP H 5.380 . 5.380 3.821 3.679 4.020 . 0 0 "[ . 1]" 1
942 1 54 ASN HB2 1 56 ASP H 6.000 . 6.000 5.400 5.191 5.702 . 0 0 "[ . 1]" 1
943 1 54 ASN HB3 1 56 ASP H 6.000 . 6.000 5.504 5.237 5.793 . 0 0 "[ . 1]" 1
944 1 55 TRP H 1 56 ASP HA 5.600 . 5.600 4.825 4.769 4.917 . 0 0 "[ . 1]" 1
945 1 55 TRP H 1 56 ASP QB 5.870 . 5.870 4.854 4.441 5.143 . 0 0 "[ . 1]" 1
946 1 55 TRP HA 1 55 TRP HD1 4.740 . 4.740 3.724 3.459 4.431 . 0 0 "[ . 1]" 1
947 1 55 TRP HA 1 55 TRP HE1 5.310 . 5.310 5.166 5.027 5.490 0.180 4 0 "[ . 1]" 1
948 1 55 TRP QB 1 56 ASP H 4.760 . 4.760 2.791 2.640 2.897 . 0 0 "[ . 1]" 1
949 1 55 TRP HB2 1 56 ASP H 5.510 . 5.510 3.399 2.791 4.000 . 0 0 "[ . 1]" 1
950 1 55 TRP HB3 1 56 ASP H 5.510 . 5.510 3.319 2.689 3.863 . 0 0 "[ . 1]" 1
951 1 56 ASP H 1 56 ASP QB 3.870 . 3.870 2.984 2.675 3.270 . 0 0 "[ . 1]" 1
952 1 56 ASP H 1 57 GLU QB 5.600 . 5.600 4.847 4.797 4.887 . 0 0 "[ . 1]" 1
953 1 56 ASP HA 1 57 GLU H 3.530 . 3.530 2.435 2.389 2.473 . 0 0 "[ . 1]" 1
954 1 56 ASP QB 1 57 GLU H 4.020 . 4.020 3.965 3.908 4.094 0.074 4 0 "[ . 1]" 1
955 1 57 GLU H 1 57 GLU QG 5.050 . 5.050 4.073 4.026 4.195 . 0 0 "[ . 1]" 1
956 1 57 GLU H 1 58 TRP H 5.240 . 5.240 4.101 4.005 4.242 . 0 0 "[ . 1]" 1
957 1 57 GLU H 1 58 TRP HA 5.850 . 5.850 5.137 5.003 5.273 . 0 0 "[ . 1]" 1
958 1 57 GLU HA 1 57 GLU QG 3.850 . 3.850 2.549 2.337 2.898 . 0 0 "[ . 1]" 1
959 1 57 GLU HA 1 58 TRP H 3.650 . 3.650 2.248 2.127 2.311 . 0 0 "[ . 1]" 1
960 1 57 GLU HA 1 58 TRP HA 5.500 . 5.500 4.537 4.468 4.571 . 0 0 "[ . 1]" 1
961 1 57 GLU QB 1 58 TRP H 4.020 . 4.020 4.024 3.917 4.058 0.038 10 0 "[ . 1]" 1
962 1 57 GLU QB 1 59 VAL MG1 4.530 . 4.530 3.953 3.473 4.168 . 0 0 "[ . 1]" 1
963 1 57 GLU QG 1 58 TRP H 3.930 . 4.430 3.653 3.369 3.955 . 0 0 "[ . 1]" 1
964 1 57 GLU QG 1 58 TRP HA 5.700 . 5.700 4.523 4.343 4.665 . 0 0 "[ . 1]" 1
965 1 57 GLU QG 1 59 VAL MG1 4.520 . 4.520 2.285 2.241 2.363 . 0 0 "[ . 1]" 1
966 1 57 GLU QG 1 59 VAL MG2 4.570 . 4.570 3.168 2.642 4.148 . 0 0 "[ . 1]" 1
967 1 58 TRP H 1 58 TRP QB 3.810 . 3.810 2.229 2.167 2.367 . 0 0 "[ . 1]" 1
968 1 58 TRP H 1 58 TRP HD1 5.350 . 5.350 3.953 2.385 5.001 . 0 0 "[ . 1]" 1
969 1 58 TRP H 1 59 VAL H 5.310 . 5.310 4.503 4.444 4.555 . 0 0 "[ . 1]" 1
970 1 58 TRP H 1 59 VAL MG1 5.830 . 5.830 4.027 3.784 4.159 . 0 0 "[ . 1]" 1
971 1 58 TRP H 1 59 VAL MG2 6.000 . 6.000 4.809 4.562 5.284 . 0 0 "[ . 1]" 1
972 1 58 TRP HA 1 59 VAL MG1 5.140 . 5.140 3.992 3.594 4.170 . 0 0 "[ . 1]" 1
973 1 58 TRP HA 1 59 VAL MG2 4.850 . 4.850 3.466 3.314 3.603 . 0 0 "[ . 1]" 1
974 1 58 TRP QB 1 59 VAL H 5.300 . 5.300 3.414 3.246 3.542 . 0 0 "[ . 1]" 1
975 1 58 TRP QB 1 59 VAL MG1 5.210 . 5.210 4.326 4.233 4.411 . 0 0 "[ . 1]" 1
976 1 58 TRP QB 1 59 VAL MG2 5.320 . 5.320 4.704 4.591 4.785 . 0 0 "[ . 1]" 1
977 1 59 VAL H 1 59 VAL MG2 4.380 . 4.380 2.254 2.189 2.296 . 0 0 "[ . 1]" 1
978 1 59 VAL H 1 64 VAL QG 5.980 . 5.980 4.595 4.264 4.933 . 0 0 "[ . 1]" 1
979 1 59 VAL HA 1 64 VAL QG 5.980 . 5.980 5.220 4.874 5.442 . 0 0 "[ . 1]" 1
980 1 59 VAL HB 1 63 ARG H 5.380 . 5.380 4.070 3.843 4.293 . 0 0 "[ . 1]" 1
981 1 59 VAL HB 1 64 VAL QG 4.420 . 4.420 3.686 3.379 4.136 . 0 0 "[ . 1]" 1
982 1 59 VAL MG1 1 63 ARG H 6.000 . 6.000 5.284 5.099 5.595 . 0 0 "[ . 1]" 1
983 1 59 VAL MG1 1 63 ARG QB 4.400 . 4.400 3.250 3.028 3.650 . 0 0 "[ . 1]" 1
984 1 59 VAL MG1 1 63 ARG QD 5.630 . 5.630 3.668 2.321 4.767 . 0 0 "[ . 1]" 1
985 1 59 VAL MG1 1 63 ARG QG 4.270 . 4.270 3.381 2.722 4.288 0.018 2 0 "[ . 1]" 1
986 1 59 VAL MG1 1 64 VAL QG 5.130 . 5.130 4.356 3.981 4.683 . 0 0 "[ . 1]" 1
987 1 59 VAL MG2 1 63 ARG HA 6.000 . 6.000 5.432 4.836 5.801 . 0 0 "[ . 1]" 1
988 1 59 VAL MG2 1 64 VAL H 4.910 . 4.910 4.682 4.288 4.947 0.037 6 0 "[ . 1]" 1
989 1 59 VAL MG2 1 64 VAL QG 3.620 . 3.620 2.440 2.001 2.703 . 0 0 "[ . 1]" 1
990 1 60 PRO QB 1 61 GLU H 4.140 . 4.140 2.792 2.596 2.906 . 0 0 "[ . 1]" 1
991 1 60 PRO QB 1 64 VAL QG 5.390 . 5.390 4.979 4.759 5.309 . 0 0 "[ . 1]" 1
992 1 61 GLU H 1 62 ASN H 5.460 . 5.460 2.788 2.751 2.837 . 0 0 "[ . 1]" 1
993 1 61 GLU H 1 62 ASN QB 5.570 . 5.570 4.725 4.495 4.959 . 0 0 "[ . 1]" 1
994 1 61 GLU H 1 64 VAL QG 5.980 . 5.980 4.289 4.055 4.636 . 0 0 "[ . 1]" 1
995 1 62 ASN HA 1 64 VAL H 4.830 . 4.830 3.881 3.773 4.020 . 0 0 "[ . 1]" 1
996 1 62 ASN HA 1 64 VAL QG 5.980 . 5.980 5.213 4.922 5.482 . 0 0 "[ . 1]" 1
997 1 62 ASN QB 1 63 ARG H 4.850 . 4.850 2.617 2.565 2.768 . 0 0 "[ . 1]" 1
998 1 62 ASN QB 1 63 ARG HA 5.870 . 5.870 4.166 3.975 4.340 . 0 0 "[ . 1]" 1
999 1 62 ASN QB 1 64 VAL H 5.740 . 5.740 4.442 4.361 4.561 . 0 0 "[ . 1]" 1
1000 1 63 ARG H 1 63 ARG QD 5.530 . 5.530 4.289 3.904 4.996 . 0 0 "[ . 1]" 1
1001 1 63 ARG H 1 63 ARG QG 4.300 . 4.300 3.808 2.481 4.186 . 0 0 "[ . 1]" 1
1002 1 63 ARG H 1 64 VAL H 3.600 . 3.600 2.507 2.413 2.570 . 0 0 "[ . 1]" 1
1003 1 63 ARG H 1 64 VAL HA 6.000 . 6.000 5.095 5.050 5.166 . 0 0 "[ . 1]" 1
1004 1 63 ARG H 1 64 VAL QG 4.810 . 4.810 3.392 3.278 3.471 . 0 0 "[ . 1]" 1
1005 1 63 ARG HA 1 64 VAL QG 5.400 . 5.400 4.441 4.329 4.543 . 0 0 "[ . 1]" 1
1006 1 63 ARG QB 1 64 VAL H 4.690 . 4.690 3.403 3.325 3.479 . 0 0 "[ . 1]" 1
1007 1 63 ARG QB 1 64 VAL QG 4.360 . 4.360 3.118 2.777 3.359 . 0 0 "[ . 1]" 1
1008 1 63 ARG QG 1 64 VAL H 4.390 . 4.690 4.470 4.205 4.577 . 0 0 "[ . 1]" 1
1009 1 63 ARG QG 1 64 VAL QG 4.500 . 4.500 4.236 3.844 4.708 0.208 2 0 "[ . 1]" 1
1010 1 64 VAL H 1 64 VAL HB 3.850 . 3.850 2.610 2.564 2.694 . 0 0 "[ . 1]" 1
1011 1 64 VAL H 1 64 VAL MG1 4.240 . 4.240 3.871 3.846 3.909 . 0 0 "[ . 1]" 1
1012 1 64 VAL H 1 64 VAL QG 3.340 . 3.340 2.398 2.238 2.514 . 0 0 "[ . 1]" 1
1013 1 64 VAL H 1 64 VAL MG2 4.240 . 4.240 2.422 2.253 2.546 . 0 0 "[ . 1]" 1
1014 1 64 VAL H 1 65 LEU H 5.100 . 5.100 4.482 4.453 4.508 . 0 0 "[ . 1]" 1
1015 1 64 VAL HA 1 65 LEU H 3.810 . 3.810 2.161 2.143 2.197 . 0 0 "[ . 1]" 1
1016 1 64 VAL QG 1 65 LEU H 3.830 . 3.830 2.574 2.394 2.745 . 0 0 "[ . 1]" 1
1017 1 64 VAL QG 1 65 LEU HA 5.830 . 5.830 3.740 3.616 3.875 . 0 0 "[ . 1]" 1
1018 1 64 VAL MG1 1 65 LEU H 5.120 . 5.120 2.604 2.412 2.784 . 0 0 "[ . 1]" 1
1019 1 64 VAL MG2 1 65 LEU H 5.120 . 5.120 4.067 3.982 4.162 . 0 0 "[ . 1]" 1
1020 1 65 LEU H 1 65 LEU QB 3.880 . 3.880 2.686 2.446 3.174 . 0 0 "[ . 1]" 1
1021 1 65 LEU H 1 65 LEU MD1 5.650 . 5.650 4.284 3.988 4.418 . 0 0 "[ . 1]" 1
1022 1 65 LEU H 1 65 LEU QD 4.390 . 4.390 3.542 2.350 4.006 . 0 0 "[ . 1]" 1
1023 1 65 LEU H 1 65 LEU MD2 5.650 . 5.650 3.948 2.365 4.586 . 0 0 "[ . 1]" 1
1024 1 65 LEU H 1 65 LEU HG 4.900 . 4.900 3.892 2.358 4.547 . 0 0 "[ . 1]" 1
1025 1 65 LEU H 1 66 LYS H 5.210 . 5.210 4.424 4.382 4.454 . 0 0 "[ . 1]" 1
1026 1 65 LEU HA 1 65 LEU QD 3.650 . 3.650 2.583 2.182 3.515 . 0 0 "[ . 1]" 1
1027 1 65 LEU HA 1 66 LYS H 3.870 . 3.870 2.192 2.129 2.297 . 0 0 "[ . 1]" 1
1028 1 65 LEU QD 1 66 LYS H 4.330 . 4.330 2.665 2.069 3.757 . 0 0 "[ . 1]" 1
1029 1 65 LEU QD 1 67 TYR H 5.980 . 5.980 5.311 4.930 5.474 . 0 0 "[ . 1]" 1
1030 1 65 LEU QD 1 71 ASN QB 3.840 . 3.840 2.324 2.084 2.524 . 0 0 "[ . 1]" 1
1031 1 65 LEU QD 1 74 ARG QB 5.390 . 5.390 4.421 4.267 4.526 . 0 0 "[ . 1]" 1
1032 1 65 LEU MD1 1 66 LYS H 5.400 . 5.400 2.706 2.072 3.905 . 0 0 "[ . 1]" 1
1033 1 65 LEU MD1 1 71 ASN HB2 5.880 . 5.880 4.387 2.935 5.194 . 0 0 "[ . 1]" 1
1034 1 65 LEU MD1 1 71 ASN HB3 5.880 . 5.880 3.600 2.152 4.465 . 0 0 "[ . 1]" 1
1035 1 65 LEU MD1 1 74 ARG QD 5.140 . 5.140 4.687 3.871 5.136 . 0 0 "[ . 1]" 1
1036 1 65 LEU MD2 1 66 LYS H 5.400 . 5.400 4.548 4.372 4.961 . 0 0 "[ . 1]" 1
1037 1 65 LEU MD2 1 71 ASN HB2 5.880 . 5.880 4.183 2.293 5.825 . 0 0 "[ . 1]" 1
1038 1 65 LEU MD2 1 71 ASN HB3 5.880 . 5.880 3.080 2.317 4.640 . 0 0 "[ . 1]" 1
1039 1 65 LEU MD2 1 74 ARG QD 5.140 . 5.140 4.383 3.833 5.337 0.197 6 0 "[ . 1]" 1
1040 1 65 LEU HG 1 67 TYR H 5.270 . 5.570 5.507 5.324 5.827 0.257 6 0 "[ . 1]" 1
1041 1 66 LYS H 1 67 TYR H 5.360 . 5.360 4.630 4.614 4.641 . 0 0 "[ . 1]" 1
1042 1 66 LYS H 1 71 ASN QB 5.320 . 5.620 5.676 5.620 5.730 0.110 4 0 "[ . 1]" 1
1043 1 67 TYR H 1 67 TYR HB2 4.220 . 4.220 2.672 2.648 2.705 . 0 0 "[ . 1]" 1
1044 1 67 TYR H 1 67 TYR HB3 4.190 . 4.190 2.508 2.468 2.540 . 0 0 "[ . 1]" 1
1045 1 67 TYR H 1 67 TYR QD 5.320 . 5.320 4.253 4.240 4.260 . 0 0 "[ . 1]" 1
1046 1 67 TYR H 1 68 ASN H 5.090 . 5.090 4.439 4.405 4.506 . 0 0 "[ . 1]" 1
1047 1 67 TYR HA 1 67 TYR QD 4.420 . 4.420 2.853 2.529 3.002 . 0 0 "[ . 1]" 1
1048 1 67 TYR HA 1 67 TYR QE 5.060 . 5.060 4.589 4.498 4.670 . 0 0 "[ . 1]" 1
1049 1 67 TYR HA 1 68 ASN H 3.410 . 3.410 2.148 2.128 2.160 . 0 0 "[ . 1]" 1
1050 1 67 TYR HA 1 71 ASN H 6.000 . 6.000 5.477 5.288 5.689 . 0 0 "[ . 1]" 1
1051 1 67 TYR HA 1 71 ASN QB 4.880 . 4.880 3.586 3.319 4.891 0.011 5 0 "[ . 1]" 1
1052 1 67 TYR HA 1 72 VAL H 4.970 . 5.270 5.387 5.034 5.551 0.281 5 0 "[ . 1]" 1
1053 1 67 TYR HB2 1 72 VAL QG 5.700 . 6.000 5.304 5.141 6.164 0.164 9 0 "[ . 1]" 1
1054 1 67 TYR HB3 1 68 ASN H 5.520 . 5.520 4.298 4.236 4.338 . 0 0 "[ . 1]" 1
1055 1 67 TYR HB3 1 68 ASN HA 6.000 . 6.000 4.800 4.763 4.831 . 0 0 "[ . 1]" 1
1056 1 67 TYR QD 1 68 ASN HA 6.000 . 6.000 3.600 3.351 4.113 . 0 0 "[ . 1]" 1
1057 1 67 TYR QD 1 72 VAL H 5.900 . 5.900 5.833 5.535 5.973 0.073 5 0 "[ . 1]" 1
1058 1 67 TYR QE 1 72 VAL HA 4.920 . 5.220 5.207 5.021 5.254 0.034 1 0 "[ . 1]" 1
1059 1 68 ASN H 1 71 ASN H 4.370 . 4.370 3.589 3.458 3.826 . 0 0 "[ . 1]" 1
1060 1 68 ASN H 1 71 ASN QB 4.150 . 4.150 2.595 2.240 4.130 . 0 0 "[ . 1]" 1
1061 1 68 ASN H 1 72 VAL H 4.710 . 4.710 3.727 3.418 3.872 . 0 0 "[ . 1]" 1
1062 1 68 ASN H 1 72 VAL HA 5.790 . 5.790 5.579 5.373 5.678 . 0 0 "[ . 1]" 1
1063 1 68 ASN H 1 72 VAL HB 4.600 . 5.300 5.187 4.068 5.390 0.090 10 0 "[ . 1]" 1
1064 1 68 ASN H 1 72 VAL MG1 6.000 . 6.000 5.700 4.271 5.974 . 0 0 "[ . 1]" 1
1065 1 68 ASN H 1 72 VAL QG 4.610 . 4.610 3.179 2.940 4.128 . 0 0 "[ . 1]" 1
1066 1 68 ASN H 1 72 VAL MG2 6.000 . 6.000 3.323 2.949 5.471 . 0 0 "[ . 1]" 1
1067 1 68 ASN HA 1 69 ASP QB 4.980 . 4.980 4.393 4.130 4.629 . 0 0 "[ . 1]" 1
1068 1 68 ASN HA 1 72 VAL H 5.930 . 5.930 5.215 5.150 5.311 . 0 0 "[ . 1]" 1
1069 1 68 ASN QB 1 69 ASP H 4.380 . 4.380 3.326 2.622 3.720 . 0 0 "[ . 1]" 1
1070 1 68 ASN QB 1 69 ASP HA 5.170 . 5.170 4.959 4.538 5.115 . 0 0 "[ . 1]" 1
1071 1 68 ASN QB 1 69 ASP QB 4.990 . 4.990 4.774 3.971 5.290 0.300 7 0 "[ . 1]" 1
1072 1 68 ASN QB 1 70 ASP H 4.400 . 4.400 2.917 2.462 3.143 . 0 0 "[ . 1]" 1
1073 1 68 ASN QB 1 71 ASN H 5.060 . 5.060 2.722 2.399 3.795 . 0 0 "[ . 1]" 1
1074 1 68 ASN HB2 1 69 ASP H 5.020 . 5.020 3.921 2.822 4.242 . 0 0 "[ . 1]" 1
1075 1 68 ASN HB3 1 69 ASP H 5.020 . 5.020 3.717 2.674 4.115 . 0 0 "[ . 1]" 1
1076 1 69 ASP H 1 70 ASP H 5.070 . 5.070 2.865 2.655 2.920 . 0 0 "[ . 1]" 1
1077 1 69 ASP H 1 72 VAL QG 4.750 . 4.750 4.110 3.925 4.246 . 0 0 "[ . 1]" 1
1078 1 69 ASP HA 1 71 ASN H 5.120 . 5.120 4.602 4.342 4.737 . 0 0 "[ . 1]" 1
1079 1 69 ASP HA 1 72 VAL H 4.680 . 4.680 3.569 3.473 3.962 . 0 0 "[ . 1]" 1
1080 1 69 ASP HA 1 72 VAL HB 4.550 . 4.550 2.663 2.370 4.225 . 0 0 "[ . 1]" 1
1081 1 69 ASP HA 1 72 VAL MG1 5.210 . 5.210 3.629 2.186 3.934 . 0 0 "[ . 1]" 1
1082 1 69 ASP HA 1 72 VAL QG 4.140 . 4.140 2.725 2.182 2.905 . 0 0 "[ . 1]" 1
1083 1 69 ASP HA 1 72 VAL MG2 5.210 . 5.210 3.043 2.702 4.638 . 0 0 "[ . 1]" 1
1084 1 69 ASP HA 1 73 LYS H 5.670 . 5.670 4.038 3.925 4.484 . 0 0 "[ . 1]" 1
1085 1 69 ASP QB 1 70 ASP H 4.820 . 4.820 3.134 2.797 3.680 . 0 0 "[ . 1]" 1
1086 1 69 ASP QB 1 71 ASN H 5.430 . 5.430 5.163 4.905 5.385 . 0 0 "[ . 1]" 1
1087 1 69 ASP QB 1 72 VAL QG 4.530 . 4.530 4.069 3.531 4.258 . 0 0 "[ . 1]" 1
1088 1 70 ASP H 1 70 ASP QB 3.120 . 3.120 2.387 2.270 2.603 . 0 0 "[ . 1]" 1
1089 1 70 ASP H 1 71 ASN H 3.510 . 3.510 2.573 2.278 2.637 . 0 0 "[ . 1]" 1
1090 1 70 ASP H 1 71 ASN HA 5.470 . 5.470 5.235 5.005 5.285 . 0 0 "[ . 1]" 1
1091 1 70 ASP HA 1 73 LYS H 4.380 . 4.380 3.385 3.305 3.570 . 0 0 "[ . 1]" 1
1092 1 70 ASP HA 1 73 LYS QB 4.400 . 4.400 2.514 2.385 2.783 . 0 0 "[ . 1]" 1
1093 1 70 ASP HA 1 73 LYS QD 5.420 . 5.420 3.581 3.288 5.040 . 0 0 "[ . 1]" 1
1094 1 70 ASP HA 1 73 LYS QE 5.350 . 5.950 4.748 2.570 5.597 . 0 0 "[ . 1]" 1
1095 1 70 ASP HA 1 74 ARG H 5.720 . 5.720 4.349 4.083 4.773 . 0 0 "[ . 1]" 1
1096 1 70 ASP QB 1 71 ASN H 3.620 . 3.620 2.595 2.383 3.400 . 0 0 "[ . 1]" 1
1097 1 70 ASP QB 1 71 ASN HA 5.300 . 5.300 4.109 3.929 4.366 . 0 0 "[ . 1]" 1
1098 1 70 ASP QB 1 73 LYS H 6.000 . 6.000 4.848 4.697 5.010 . 0 0 "[ . 1]" 1
1099 1 70 ASP QB 1 74 ARG H 6.000 . 6.000 5.197 4.754 5.752 . 0 0 "[ . 1]" 1
1100 1 71 ASN H 1 71 ASN HB2 4.160 . 4.160 2.638 2.465 3.618 . 0 0 "[ . 1]" 1
1101 1 71 ASN H 1 71 ASN QB 3.580 . 3.580 2.502 2.427 2.675 . 0 0 "[ . 1]" 1
1102 1 71 ASN H 1 71 ASN HB3 4.160 . 4.160 3.530 2.756 3.636 . 0 0 "[ . 1]" 1
1103 1 71 ASN H 1 72 VAL H 3.670 . 3.670 2.536 2.488 2.590 . 0 0 "[ . 1]" 1
1104 1 71 ASN H 1 72 VAL HA 5.800 . 5.800 5.225 5.162 5.273 . 0 0 "[ . 1]" 1
1105 1 71 ASN H 1 72 VAL HB 5.510 . 5.510 4.739 4.711 4.833 . 0 0 "[ . 1]" 1
1106 1 71 ASN H 1 72 VAL QG 4.580 . 4.580 3.884 3.509 3.999 . 0 0 "[ . 1]" 1
1107 1 71 ASN H 1 73 LYS H 4.770 . 4.770 4.005 3.596 4.094 . 0 0 "[ . 1]" 1
1108 1 71 ASN H 1 74 ARG H 5.590 . 5.590 4.737 4.625 4.810 . 0 0 "[ . 1]" 1
1109 1 71 ASN H 1 74 ARG QG 5.590 . 5.590 4.904 4.725 5.029 . 0 0 "[ . 1]" 1
1110 1 71 ASN HA 1 73 LYS H 5.180 . 5.180 4.330 3.918 4.517 . 0 0 "[ . 1]" 1
1111 1 71 ASN HA 1 74 ARG H 4.110 . 4.110 3.293 3.113 3.406 . 0 0 "[ . 1]" 1
1112 1 71 ASN HA 1 74 ARG QB 4.070 . 4.070 2.761 2.501 3.420 . 0 0 "[ . 1]" 1
1113 1 71 ASN HA 1 74 ARG QD 4.980 . 4.980 2.476 2.441 2.511 . 0 0 "[ . 1]" 1
1114 1 71 ASN HA 1 75 ARG H 5.800 . 5.800 4.474 4.182 5.043 . 0 0 "[ . 1]" 1
1115 1 71 ASN QB 1 72 VAL H 4.910 . 4.910 2.748 2.417 3.511 . 0 0 "[ . 1]" 1
1116 1 71 ASN QB 1 72 VAL HA 5.480 . 5.480 4.040 3.899 4.394 . 0 0 "[ . 1]" 1
1117 1 71 ASN QB 1 72 VAL HB 5.370 . 5.370 4.846 4.039 5.662 0.292 5 0 "[ . 1]" 1
1118 1 71 ASN QB 1 73 LYS H 5.870 . 5.870 4.758 4.311 5.127 . 0 0 "[ . 1]" 1
1119 1 71 ASN QB 1 74 ARG H 5.650 . 5.650 4.744 4.571 4.826 . 0 0 "[ . 1]" 1
1120 1 71 ASN QB 1 74 ARG QB 4.540 . 4.540 4.055 3.738 4.272 . 0 0 "[ . 1]" 1
1121 1 72 VAL H 1 72 VAL HB 3.710 . 3.710 2.492 2.479 2.510 . 0 0 "[ . 1]" 1
1122 1 72 VAL H 1 72 VAL MG1 4.300 . 4.300 3.639 2.117 3.827 . 0 0 "[ . 1]" 1
1123 1 72 VAL H 1 72 VAL QG 3.520 . 3.520 2.155 2.106 2.203 . 0 0 "[ . 1]" 1
1124 1 72 VAL H 1 72 VAL MG2 4.300 . 4.300 2.334 2.118 3.785 . 0 0 "[ . 1]" 1
1125 1 72 VAL H 1 73 LYS H 3.650 . 3.650 2.556 2.514 2.591 . 0 0 "[ . 1]" 1
1126 1 72 VAL H 1 73 LYS QB 5.360 . 5.360 4.253 4.220 4.283 . 0 0 "[ . 1]" 1
1127 1 72 VAL H 1 74 ARG H 4.720 . 4.720 4.026 3.967 4.177 . 0 0 "[ . 1]" 1
1128 1 72 VAL H 1 74 ARG QB 5.960 . 5.960 4.978 4.857 5.316 . 0 0 "[ . 1]" 1
1129 1 72 VAL H 1 74 ARG QG 6.000 . 6.000 5.296 5.040 5.462 . 0 0 "[ . 1]" 1
1130 1 72 VAL HA 1 73 LYS HA 5.820 . 5.820 4.879 4.846 4.895 . 0 0 "[ . 1]" 1
1131 1 72 VAL HA 1 74 ARG H 5.620 . 5.620 4.289 4.113 4.370 . 0 0 "[ . 1]" 1
1132 1 72 VAL HA 1 75 ARG H 4.690 . 4.690 3.346 3.253 3.416 . 0 0 "[ . 1]" 1
1133 1 72 VAL HA 1 75 ARG QB 5.360 . 5.360 2.780 2.625 3.072 . 0 0 "[ . 1]" 1
1134 1 72 VAL HA 1 75 ARG QD 5.530 . 5.530 4.086 3.733 4.616 . 0 0 "[ . 1]" 1
1135 1 72 VAL HA 1 76 GLN H 6.000 . 6.000 4.305 4.071 4.676 . 0 0 "[ . 1]" 1
1136 1 72 VAL HB 1 73 LYS H 4.500 . 4.500 2.692 2.501 3.986 . 0 0 "[ . 1]" 1
1137 1 72 VAL QG 1 73 LYS H 4.410 . 4.410 3.116 2.281 3.248 . 0 0 "[ . 1]" 1
1138 1 72 VAL QG 1 73 LYS HA 4.300 . 4.300 3.498 3.163 3.566 . 0 0 "[ . 1]" 1
1139 1 72 VAL QG 1 74 ARG H 5.060 . 5.060 4.561 4.187 4.620 . 0 0 "[ . 1]" 1
1140 1 72 VAL QG 1 75 ARG H 5.980 . 5.980 4.234 4.083 4.332 . 0 0 "[ . 1]" 1
1141 1 72 VAL QG 1 75 ARG QD 5.000 . 5.000 3.839 3.479 4.313 . 0 0 "[ . 1]" 1
1142 1 72 VAL QG 1 75 ARG QG 5.980 . 5.980 4.583 4.473 4.679 . 0 0 "[ . 1]" 1
1143 1 72 VAL QG 1 76 GLN H 5.980 . 5.980 3.959 3.843 4.091 . 0 0 "[ . 1]" 1
1144 1 72 VAL QG 1 76 GLN QG 4.680 . 4.680 3.304 2.501 4.892 0.212 1 0 "[ . 1]" 1
1145 1 72 VAL MG1 1 73 LYS HA 5.230 . 5.230 3.553 3.313 3.614 . 0 0 "[ . 1]" 1
1146 1 72 VAL MG2 1 73 LYS HA 5.230 . 5.630 5.332 4.007 5.486 . 0 0 "[ . 1]" 1
1147 1 73 LYS H 1 73 LYS QB 3.170 . 3.170 2.229 2.215 2.239 . 0 0 "[ . 1]" 1
1148 1 73 LYS H 1 73 LYS QD 4.760 . 4.760 4.436 4.133 4.749 . 0 0 "[ . 1]" 1
1149 1 73 LYS H 1 76 GLN QG 5.870 . 5.870 5.070 4.444 6.022 0.152 1 0 "[ . 1]" 1
1150 1 73 LYS HA 1 73 LYS QD 4.700 . 4.700 3.901 2.401 4.263 . 0 0 "[ . 1]" 1
1151 1 73 LYS HA 1 75 ARG H 4.920 . 4.920 4.316 4.068 4.451 . 0 0 "[ . 1]" 1
1152 1 73 LYS HA 1 76 GLN H 4.170 . 4.170 3.342 3.106 3.469 . 0 0 "[ . 1]" 1
1153 1 73 LYS HA 1 76 GLN HG2 4.760 . 4.760 3.872 3.242 4.770 0.010 7 0 "[ . 1]" 1
1154 1 73 LYS HA 1 76 GLN QG 4.100 . 4.100 3.209 2.836 3.578 . 0 0 "[ . 1]" 1
1155 1 73 LYS HA 1 76 GLN HG3 4.760 . 4.760 3.596 2.927 4.858 0.098 1 0 "[ . 1]" 1
1156 1 73 LYS HA 1 77 GLU H 5.190 . 5.190 4.077 4.010 4.207 . 0 0 "[ . 1]" 1
1157 1 73 LYS QB 1 73 LYS QE 4.320 . 4.320 3.231 2.195 3.688 . 0 0 "[ . 1]" 1
1158 1 73 LYS QB 1 74 ARG H 4.030 . 4.030 2.608 2.551 2.711 . 0 0 "[ . 1]" 1
1159 1 73 LYS QB 1 76 GLN H 5.500 . 5.500 4.923 4.806 4.968 . 0 0 "[ . 1]" 1
1160 1 73 LYS QB 1 77 GLU H 5.930 . 5.930 5.129 5.060 5.288 . 0 0 "[ . 1]" 1
1161 1 73 LYS QD 1 74 ARG H 4.900 . 4.900 4.687 4.596 5.120 0.220 7 0 "[ . 1]" 1
1162 1 73 LYS QD 1 74 ARG HA 4.600 . 5.600 5.305 5.073 5.837 0.237 7 0 "[ . 1]" 1
1163 1 73 LYS QE 1 74 ARG QG 5.420 . 5.920 5.631 5.266 5.939 0.019 7 0 "[ . 1]" 1
1164 1 73 LYS QG 1 74 ARG H 5.790 . 5.790 3.797 3.728 3.919 . 0 0 "[ . 1]" 1
1165 1 73 LYS QG 1 76 GLN QB 4.720 . 4.720 3.499 3.090 3.751 . 0 0 "[ . 1]" 1
1166 1 73 LYS QG 1 77 GLU H 5.210 . 5.210 4.093 3.861 4.238 . 0 0 "[ . 1]" 1
1167 1 73 LYS QG 1 77 GLU QB 4.880 . 4.880 3.746 3.233 4.484 . 0 0 "[ . 1]" 1
1168 1 74 ARG H 1 74 ARG QB 3.120 . 3.120 2.408 2.345 2.546 . 0 0 "[ . 1]" 1
1169 1 74 ARG H 1 74 ARG QD 5.250 . 5.250 3.829 3.745 3.895 . 0 0 "[ . 1]" 1
1170 1 74 ARG H 1 74 ARG QG 4.270 . 4.270 2.350 2.107 2.463 . 0 0 "[ . 1]" 1
1171 1 74 ARG H 1 75 ARG H 3.850 . 3.850 2.651 2.603 2.676 . 0 0 "[ . 1]" 1
1172 1 74 ARG H 1 75 ARG HA 6.000 . 6.000 5.308 5.266 5.338 . 0 0 "[ . 1]" 1
1173 1 74 ARG H 1 75 ARG QB 6.000 . 6.000 4.454 4.420 4.486 . 0 0 "[ . 1]" 1
1174 1 74 ARG H 1 76 GLN QB 6.000 . 6.000 4.814 4.541 4.987 . 0 0 "[ . 1]" 1
1175 1 74 ARG H 1 76 GLN QG 5.870 . 5.870 5.496 5.138 6.146 0.276 4 0 "[ . 1]" 1
1176 1 74 ARG H 1 77 GLU H 5.560 . 5.560 4.514 4.412 4.641 . 0 0 "[ . 1]" 1
1177 1 74 ARG H 1 77 GLU QB 5.610 . 5.610 4.657 4.407 5.003 . 0 0 "[ . 1]" 1
1178 1 74 ARG HA 1 74 ARG QD 5.080 . 5.080 4.150 4.008 4.253 . 0 0 "[ . 1]" 1
1179 1 74 ARG HA 1 76 GLN H 5.070 . 5.070 4.336 4.288 4.380 . 0 0 "[ . 1]" 1
1180 1 74 ARG HA 1 77 GLU H 4.410 . 4.410 3.221 3.134 3.280 . 0 0 "[ . 1]" 1
1181 1 74 ARG HA 1 77 GLU QB 4.080 . 4.080 2.369 2.279 2.510 . 0 0 "[ . 1]" 1
1182 1 74 ARG HA 1 78 LEU QD 4.900 . 4.900 4.053 3.912 4.189 . 0 0 "[ . 1]" 1
1183 1 74 ARG QB 1 75 ARG H 3.860 . 3.860 2.690 2.622 2.743 . 0 0 "[ . 1]" 1
1184 1 74 ARG QB 1 75 ARG QB 4.810 . 4.810 4.006 3.926 4.049 . 0 0 "[ . 1]" 1
1185 1 74 ARG QB 1 77 GLU H 6.000 . 6.000 4.690 4.573 4.788 . 0 0 "[ . 1]" 1
1186 1 74 ARG QB 1 78 LEU H 5.860 . 5.860 4.487 4.344 4.619 . 0 0 "[ . 1]" 1
1187 1 74 ARG QB 1 78 LEU QD 3.990 . 3.990 2.852 2.663 3.024 . 0 0 "[ . 1]" 1
1188 1 74 ARG QD 1 78 LEU QD 5.330 . 5.330 4.550 3.926 4.922 . 0 0 "[ . 1]" 1
1189 1 74 ARG QG 1 77 GLU QB 5.260 . 5.260 3.972 3.791 4.265 . 0 0 "[ . 1]" 1
1190 1 74 ARG QG 1 78 LEU QD 4.740 . 4.740 4.381 4.170 4.638 . 0 0 "[ . 1]" 1
1191 1 75 ARG H 1 75 ARG QB 3.880 . 3.880 2.295 2.278 2.305 . 0 0 "[ . 1]" 1
1192 1 75 ARG H 1 75 ARG QD 4.860 . 4.860 4.620 4.457 4.779 . 0 0 "[ . 1]" 1
1193 1 75 ARG H 1 76 GLN QB 5.570 . 5.570 4.403 4.100 4.544 . 0 0 "[ . 1]" 1
1194 1 75 ARG H 1 76 GLN QG 5.270 . 5.270 4.737 4.128 5.941 0.671 4 2 "[ +. -]" 1
1195 1 75 ARG H 1 77 GLU H 4.720 . 4.720 3.869 3.716 3.992 . 0 0 "[ . 1]" 1
1196 1 75 ARG HA 1 78 LEU QD 4.830 . 4.830 2.450 2.427 2.519 . 0 0 "[ . 1]" 1
1197 1 75 ARG HA 1 79 ALA H 5.590 . 5.590 3.827 3.724 3.955 . 0 0 "[ . 1]" 1
1198 1 75 ARG QB 1 76 GLN H 4.320 . 4.320 2.600 2.512 2.686 . 0 0 "[ . 1]" 1
1199 1 75 ARG QD 1 76 GLN H 5.310 . 5.310 4.881 4.546 5.251 . 0 0 "[ . 1]" 1
1200 1 75 ARG QD 1 76 GLN HA 6.000 . 6.000 5.486 5.008 5.773 . 0 0 "[ . 1]" 1
1201 1 75 ARG QG 1 77 GLU H 6.000 . 6.000 5.243 5.084 5.351 . 0 0 "[ . 1]" 1
1202 1 76 GLN H 1 76 GLN QB 3.830 . 3.830 2.321 2.090 2.474 . 0 0 "[ . 1]" 1
1203 1 76 GLN H 1 76 GLN QG 4.150 . 4.150 2.771 2.230 3.901 . 0 0 "[ . 1]" 1
1204 1 76 GLN H 1 77 GLU H 3.880 . 3.880 2.533 2.476 2.584 . 0 0 "[ . 1]" 1
1205 1 76 GLN H 1 77 GLU QB 4.860 . 4.860 4.386 4.280 4.546 . 0 0 "[ . 1]" 1
1206 1 76 GLN HA 1 76 GLN HG2 4.470 . 4.470 3.074 2.492 3.851 . 0 0 "[ . 1]" 1
1207 1 76 GLN HA 1 76 GLN QG 3.720 . 3.720 2.785 2.372 3.242 . 0 0 "[ . 1]" 1
1208 1 76 GLN HA 1 76 GLN HG3 4.470 . 4.470 3.387 2.943 3.769 . 0 0 "[ . 1]" 1
1209 1 76 GLN HA 1 78 LEU H 5.260 . 5.260 4.686 4.525 4.828 . 0 0 "[ . 1]" 1
1210 1 76 GLN HA 1 79 ALA H 4.870 . 4.870 3.402 3.269 3.509 . 0 0 "[ . 1]" 1
1211 1 76 GLN HA 1 79 ALA MB 3.770 . 3.770 2.337 2.259 2.380 . 0 0 "[ . 1]" 1
1212 1 76 GLN QB 1 77 GLU H 3.400 . 3.400 2.696 2.586 2.921 . 0 0 "[ . 1]" 1
1213 1 76 GLN QB 1 79 ALA H 5.950 . 5.950 4.856 4.734 4.995 . 0 0 "[ . 1]" 1
1214 1 76 GLN QB 1 79 ALA MB 4.600 . 4.600 3.967 3.815 4.136 . 0 0 "[ . 1]" 1
1215 1 76 GLN QG 1 77 GLU H 5.320 . 5.320 3.883 3.013 4.153 . 0 0 "[ . 1]" 1
1216 1 76 GLN QG 1 79 ALA MB 5.870 . 5.870 4.231 3.869 4.543 . 0 0 "[ . 1]" 1
1217 1 76 GLN HG2 1 77 GLU H 6.000 . 6.000 4.534 3.106 5.041 . 0 0 "[ . 1]" 1
1218 1 76 GLN HG3 1 77 GLU H 6.000 . 6.000 4.438 3.583 5.050 . 0 0 "[ . 1]" 1
1219 1 77 GLU H 1 77 GLU QB 3.470 . 3.470 2.317 2.264 2.403 . 0 0 "[ . 1]" 1
1220 1 77 GLU H 1 78 LEU QD 5.630 . 5.630 4.670 4.536 4.788 . 0 0 "[ . 1]" 1
1221 1 77 GLU H 1 78 LEU HG 5.360 . 5.360 4.661 4.533 4.722 . 0 0 "[ . 1]" 1
1222 1 77 GLU H 1 79 ALA H 4.650 . 4.650 3.848 3.628 3.942 . 0 0 "[ . 1]" 1
1223 1 77 GLU H 1 79 ALA MB 4.860 . 4.860 4.516 4.398 4.577 . 0 0 "[ . 1]" 1
1224 1 77 GLU QB 1 78 LEU H 4.410 . 4.410 2.328 2.237 2.438 . 0 0 "[ . 1]" 1
1225 1 77 GLU QB 1 78 LEU HA 5.200 . 5.200 4.000 3.847 4.106 . 0 0 "[ . 1]" 1
1226 1 77 GLU QB 1 78 LEU HB3 5.790 . 5.790 5.339 5.280 5.391 . 0 0 "[ . 1]" 1
1227 1 77 GLU QB 1 78 LEU MD1 5.050 . 5.050 4.166 4.037 4.267 . 0 0 "[ . 1]" 1
1228 1 77 GLU QB 1 78 LEU QD 4.430 . 4.430 3.748 3.694 3.807 . 0 0 "[ . 1]" 1
1229 1 77 GLU QB 1 78 LEU MD2 5.050 . 5.050 4.263 4.118 4.408 . 0 0 "[ . 1]" 1
1230 1 77 GLU QB 1 79 ALA H 5.400 . 5.400 4.510 4.444 4.555 . 0 0 "[ . 1]" 1
1231 1 77 GLU QB 1 81 GLN QG 5.830 . 5.830 5.398 4.001 6.218 0.388 5 0 "[ . 1]" 1
1232 1 78 LEU H 1 78 LEU HB3 4.380 . 4.380 3.573 3.555 3.604 . 0 0 "[ . 1]" 1
1233 1 78 LEU H 1 78 LEU MD1 4.640 . 4.640 3.305 3.234 3.371 . 0 0 "[ . 1]" 1
1234 1 78 LEU H 1 78 LEU QD 4.050 . 4.050 3.102 3.060 3.137 . 0 0 "[ . 1]" 1
1235 1 78 LEU H 1 78 LEU MD2 4.640 . 4.640 3.761 3.696 3.834 . 0 0 "[ . 1]" 1
1236 1 78 LEU H 1 78 LEU HG 3.690 . 3.690 2.363 2.284 2.446 . 0 0 "[ . 1]" 1
1237 1 78 LEU H 1 79 ALA H 3.840 . 3.840 2.658 2.483 2.739 . 0 0 "[ . 1]" 1
1238 1 78 LEU H 1 79 ALA MB 4.710 . 4.710 4.347 4.224 4.427 . 0 0 "[ . 1]" 1
1239 1 78 LEU H 1 80 ARG H 4.700 . 4.700 4.227 4.031 4.583 . 0 0 "[ . 1]" 1
1240 1 78 LEU H 1 81 GLN QB 5.490 . 5.990 4.647 4.360 5.306 . 0 0 "[ . 1]" 1
1241 1 78 LEU HA 1 78 LEU MD1 4.440 . 4.440 3.918 3.905 3.924 . 0 0 "[ . 1]" 1
1242 1 78 LEU HA 1 78 LEU QD 3.390 . 3.390 2.282 2.248 2.309 . 0 0 "[ . 1]" 1
1243 1 78 LEU HA 1 78 LEU MD2 4.440 . 4.440 2.298 2.262 2.326 . 0 0 "[ . 1]" 1
1244 1 78 LEU HA 1 78 LEU HG 4.160 . 4.160 2.809 2.766 2.845 . 0 0 "[ . 1]" 1
1245 1 78 LEU HA 1 79 ALA H 3.920 . 3.920 3.525 3.475 3.550 . 0 0 "[ . 1]" 1
1246 1 78 LEU HA 1 81 GLN H 3.980 . 3.980 3.329 3.196 3.454 . 0 0 "[ . 1]" 1
1247 1 78 LEU HA 1 81 GLN QB 4.160 . 4.160 2.411 2.183 2.887 . 0 0 "[ . 1]" 1
1248 1 78 LEU HA 1 81 GLN QG 4.990 . 4.990 3.813 3.162 4.390 . 0 0 "[ . 1]" 1
1249 1 78 LEU HB2 1 79 ALA H 4.500 . 4.500 2.688 2.587 2.898 . 0 0 "[ . 1]" 1
1250 1 78 LEU HB2 1 79 ALA HA 5.720 . 5.720 4.428 4.409 4.453 . 0 0 "[ . 1]" 1
1251 1 78 LEU HB2 1 81 GLN H 5.310 . 5.610 5.481 5.352 5.607 . 0 0 "[ . 1]" 1
1252 1 78 LEU HB2 1 81 GLN QB 5.260 . 5.260 5.003 4.658 5.385 0.125 8 0 "[ . 1]" 1
1253 1 78 LEU HB3 1 79 ALA HA 4.870 . 5.170 4.420 4.367 4.504 . 0 0 "[ . 1]" 1
1254 1 78 LEU HB3 1 80 ARG H 6.000 . 6.000 5.628 5.435 6.024 0.024 10 0 "[ . 1]" 1
1255 1 78 LEU HB3 1 81 GLN QB 5.450 . 5.450 4.224 3.822 4.664 . 0 0 "[ . 1]" 1
1256 1 78 LEU QD 1 81 GLN H 5.820 . 5.820 4.923 4.815 5.039 . 0 0 "[ . 1]" 1
1257 1 78 LEU QD 1 81 GLN QB 4.090 . 4.090 3.379 3.118 3.819 . 0 0 "[ . 1]" 1
1258 1 78 LEU QD 1 81 GLN QG 4.320 . 4.820 4.096 3.354 4.543 . 0 0 "[ . 1]" 1
1259 1 78 LEU QD 1 82 CYS H 5.980 . 5.980 5.022 4.725 5.415 . 0 0 "[ . 1]" 1
1260 1 78 LEU QD 1 82 CYS QB 5.810 . 5.810 4.986 4.579 5.858 0.048 8 0 "[ . 1]" 1
1261 1 78 LEU MD1 1 79 ALA H 5.700 . 5.700 4.497 4.403 4.621 . 0 0 "[ . 1]" 1
1262 1 78 LEU MD2 1 79 ALA H 5.700 . 5.700 4.887 4.859 4.947 . 0 0 "[ . 1]" 1
1263 1 78 LEU HG 1 79 ALA H 5.390 . 5.390 4.505 4.479 4.532 . 0 0 "[ . 1]" 1
1264 1 78 LEU HG 1 81 GLN QB 5.780 . 5.780 4.780 4.436 5.407 . 0 0 "[ . 1]" 1
1265 1 79 ALA H 1 79 ALA MB 3.380 . 3.380 2.255 2.232 2.281 . 0 0 "[ . 1]" 1
1266 1 79 ALA H 1 80 ARG QD 6.000 . 6.000 6.013 5.620 6.501 0.501 8 1 "[ . + 1]" 1
1267 1 79 ALA H 1 80 ARG QG 5.470 . 5.970 5.155 3.748 6.344 0.374 5 0 "[ . 1]" 1
1268 1 79 ALA H 1 81 GLN QB 5.600 . 5.600 4.760 4.395 5.054 . 0 0 "[ . 1]" 1
1269 1 79 ALA HA 1 80 ARG QB 6.000 . 6.000 5.356 5.159 5.578 . 0 0 "[ . 1]" 1
1270 1 79 ALA HA 1 81 GLN H 5.720 . 5.720 4.447 4.117 4.602 . 0 0 "[ . 1]" 1
1271 1 79 ALA HA 1 81 GLN QB 5.940 . 5.940 5.053 4.841 5.448 . 0 0 "[ . 1]" 1
1272 1 79 ALA HA 1 82 CYS H 5.460 . 5.460 3.545 3.304 3.814 . 0 0 "[ . 1]" 1
1273 1 79 ALA HA 1 82 CYS HB2 5.560 . 5.560 3.510 2.422 5.060 . 0 0 "[ . 1]" 1
1274 1 79 ALA HA 1 82 CYS QB 4.870 . 4.870 2.967 2.362 4.108 . 0 0 "[ . 1]" 1
1275 1 79 ALA HA 1 82 CYS HB3 5.560 . 5.560 3.496 2.620 4.654 . 0 0 "[ . 1]" 1
1276 1 79 ALA HA 1 83 GLY H 5.490 . 5.490 4.507 4.041 5.439 . 0 0 "[ . 1]" 1
1277 1 79 ALA MB 1 80 ARG H 3.630 . 3.630 2.528 2.302 2.689 . 0 0 "[ . 1]" 1
1278 1 79 ALA MB 1 80 ARG QB 4.920 . 4.920 4.018 3.631 4.372 . 0 0 "[ . 1]" 1
1279 1 79 ALA MB 1 80 ARG QD 5.260 . 5.260 4.946 4.422 5.549 0.289 4 0 "[ . 1]" 1
1280 1 79 ALA MB 1 82 CYS H 5.480 . 5.480 4.667 4.488 4.929 . 0 0 "[ . 1]" 1
1281 1 79 ALA MB 1 82 CYS HB2 6.000 . 6.000 4.916 3.885 6.201 0.201 7 0 "[ . 1]" 1
1282 1 79 ALA MB 1 82 CYS HB3 6.000 . 6.000 4.775 4.008 5.768 . 0 0 "[ . 1]" 1
1283 1 80 ARG H 1 80 ARG QB 3.190 . 3.190 2.322 2.182 2.605 . 0 0 "[ . 1]" 1
1284 1 80 ARG H 1 80 ARG QD 4.730 . 4.730 4.047 3.746 4.431 . 0 0 "[ . 1]" 1
1285 1 80 ARG H 1 80 ARG QG 4.190 . 4.190 2.997 1.905 4.086 . 0 0 "[ . 1]" 1
1286 1 80 ARG H 1 81 GLN H 3.670 . 3.670 2.561 2.482 2.649 . 0 0 "[ . 1]" 1
1287 1 80 ARG H 1 81 GLN QB 5.740 . 5.740 4.354 4.219 4.574 . 0 0 "[ . 1]" 1
1288 1 80 ARG HA 1 83 GLY H 5.570 . 5.570 3.546 3.279 4.229 . 0 0 "[ . 1]" 1
1289 1 80 ARG QB 1 81 GLN H 4.200 . 4.200 2.656 2.478 3.568 . 0 0 "[ . 1]" 1
1290 1 81 GLN H 1 81 GLN QB 3.300 . 3.300 2.269 2.179 2.401 . 0 0 "[ . 1]" 1
1291 1 81 GLN H 1 81 GLN QG 4.400 . 4.400 3.394 2.147 4.080 . 0 0 "[ . 1]" 1
1292 1 81 GLN QB 1 82 CYS H 5.190 . 5.190 2.589 2.272 3.233 . 0 0 "[ . 1]" 1
1293 1 81 GLN QB 1 82 CYS QB 5.260 . 5.260 4.061 3.780 4.544 . 0 0 "[ . 1]" 1
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