NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
643074 |
6rss   |
34407 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6rss
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 1613
_Distance_constraint_stats_list.Viol_count 601
_Distance_constraint_stats_list.Viol_total 1699.001
_Distance_constraint_stats_list.Viol_max 0.982
_Distance_constraint_stats_list.Viol_rms 0.0321
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0026
_Distance_constraint_stats_list.Viol_average_violations_only 0.1413
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 HIS 0.806 0.590 14 1 "[ . 1 +. 2]"
1 4 MET 4.651 0.982 15 5 "[-** . * 1 + 2]"
1 5 GLN 4.862 0.982 15 5 "[-** . * 1 + 2]"
1 6 TYR 0.076 0.061 3 0 "[ . 1 . 2]"
1 7 LYS 0.527 0.110 13 0 "[ . 1 . 2]"
1 8 LEU 2.590 0.296 19 0 "[ . 1 . 2]"
1 9 ILE 4.395 0.588 7 3 "[ - . + 1 * 2]"
1 10 LEU 1.117 0.054 19 0 "[ . 1 . 2]"
1 11 ASN 6.519 0.548 20 3 "[ - . 1 * +]"
1 12 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LYS 2.448 0.640 8 1 "[ . + 1 . 2]"
1 14 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 LEU 3.198 0.585 4 2 "[ +. 1 . - 2]"
1 16 LYS 2.008 0.542 17 1 "[ . 1 . + 2]"
1 17 GLY 1.476 0.839 7 2 "[ - . + 1 . 2]"
1 18 GLU 2.294 0.839 7 2 "[ * . + 1 . 2]"
1 19 THR 0.014 0.009 9 0 "[ . 1 . 2]"
1 20 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 THR 0.306 0.271 17 0 "[ . 1 . 2]"
1 22 GLU 0.788 0.590 14 1 "[ . 1 +. 2]"
1 23 ALA 0.010 0.005 13 0 "[ . 1 . 2]"
1 24 VAL 0.063 0.021 16 0 "[ . 1 . 2]"
1 25 ASP 0.145 0.032 11 0 "[ . 1 . 2]"
1 26 ALA 0.134 0.032 11 0 "[ . 1 . 2]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 THR 0.585 0.319 12 0 "[ . 1 . 2]"
1 29 ALA 0.600 0.042 2 0 "[ . 1 . 2]"
1 30 GLU 0.547 0.042 2 0 "[ . 1 . 2]"
1 31 LYS 3.620 0.498 12 0 "[ . 1 . 2]"
1 32 VAL 0.741 0.509 19 1 "[ . 1 . +2]"
1 33 PHE 1.491 0.086 11 0 "[ . 1 . 2]"
1 34 LYS 7.541 0.826 14 2 "[ . - 1 +. 2]"
1 35 GLN 3.968 0.509 19 1 "[ . 1 . +2]"
1 36 TYR 6.840 0.792 12 1 "[ . 1 + . 2]"
1 37 ALA 0.669 0.048 10 0 "[ . 1 . 2]"
1 38 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ASP 2.387 0.324 13 0 "[ . 1 . 2]"
1 40 ASN 1.782 0.792 12 1 "[ . 1 + . 2]"
1 41 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 VAL 0.013 0.013 16 0 "[ . 1 . 2]"
1 43 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLY 2.643 0.529 3 1 "[ + . 1 . 2]"
1 45 GLU 2.938 0.869 1 1 "[+ . 1 . 2]"
1 46 TRP 4.256 0.826 14 2 "[ . - 1 +. 2]"
1 47 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 TYR 2.651 0.466 3 0 "[ . 1 . 2]"
1 49 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ASP 2.535 0.466 3 0 "[ . 1 . 2]"
1 51 ALA 0.003 0.003 18 0 "[ . 1 . 2]"
1 52 THR 0.274 0.110 20 0 "[ . 1 . 2]"
1 53 LYS 3.634 0.719 16 2 "[ . 1 -.+ 2]"
1 54 THR 0.673 0.110 13 0 "[ . 1 . 2]"
1 55 TYR 0.045 0.045 5 0 "[ . 1 . 2]"
1 56 THR 0.557 0.492 7 0 "[ . 1 . 2]"
1 57 VAL 0.033 0.033 19 0 "[ . 1 . 2]"
1 58 THR 4.558 0.869 1 2 "[+ . 1 . -]"
1 59 GLU 2.643 0.529 3 1 "[ + . 1 . 2]"
1 60 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 SER 1.260 0.186 6 0 "[ . 1 . 2]"
1 63 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLN 0.466 0.140 13 0 "[ . 1 . 2]"
1 72 GLU 0.939 0.140 13 0 "[ . 1 . 2]"
1 73 PRO 0.340 0.237 12 0 "[ . 1 . 2]"
1 74 ALA 0.668 0.237 12 0 "[ . 1 . 2]"
1 75 LEU 0.559 0.147 7 0 "[ . 1 . 2]"
1 76 PRO 1.932 0.848 4 2 "[ +.- 1 . 2]"
1 77 PRO 1.847 0.267 10 0 "[ . 1 . 2]"
1 78 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 TRP 2.182 0.848 4 2 "[ +.- 1 . 2]"
1 80 GLU 0.502 0.178 17 0 "[ . 1 . 2]"
1 81 MET 3.733 0.610 8 3 "[ . -+ 1 * . 2]"
1 82 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 SER 0.804 0.148 14 0 "[ . 1 . 2]"
1 86 GLU 0.593 0.193 2 0 "[ . 1 . 2]"
1 87 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ARG 2.540 0.567 17 3 "[ . * .-+ 2]"
1 90 TYR 0.084 0.065 14 0 "[ . 1 . 2]"
1 91 PHE 3.846 0.610 8 5 "[ . *+ - * . * 2]"
1 92 VAL 0.556 0.178 17 0 "[ . 1 . 2]"
1 93 ASP 0.024 0.024 10 0 "[ . 1 . 2]"
1 94 HIS 0.156 0.057 10 0 "[ . 1 . 2]"
1 95 ASN 1.611 0.424 8 0 "[ . 1 . 2]"
1 96 THR 0.172 0.040 12 0 "[ . 1 . 2]"
1 97 ARG 1.783 0.424 8 0 "[ . 1 . 2]"
1 98 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 THR 0.220 0.211 20 0 "[ . 1 . 2]"
1 100 THR 0.552 0.211 20 0 "[ . 1 . 2]"
1 101 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 LYS 4.408 0.776 3 5 "[ + . * *-. * 2]"
1 103 ASP 3.136 0.885 6 2 "[ .+ - 1 . 2]"
1 104 PRO 2.621 0.719 2 3 "[ + . - 1 * 2]"
1 105 ARG 3.896 0.719 2 4 "[ + . - *1 * 2]"
1 106 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 PHE 4.162 0.885 6 2 "[ .+ - 1 . 2]"
1 109 GLU 0.002 0.002 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 HIS HA 1 3 HIS QB 2.480 . 3.250 2.373 2.193 2.538 . 0 0 "[ . 1 . 2]" 1
2 1 3 HIS HA 1 3 HIS HB3 2.820 . 3.810 2.533 2.410 2.799 . 0 0 "[ . 1 . 2]" 1
3 1 3 HIS HA 1 4 MET H 2.520 . 3.310 2.364 2.258 2.481 . 0 0 "[ . 1 . 2]" 1
4 1 3 HIS HA 1 24 VAL HA 2.700 . 3.610 3.221 2.825 3.628 0.018 11 0 "[ . 1 . 2]" 1
5 1 3 HIS HA 1 24 VAL QG 3.420 . 4.880 2.587 1.968 4.056 . 0 0 "[ . 1 . 2]" 1
6 1 3 HIS HB3 1 3 HIS HD2 3.650 . 5.310 3.525 2.732 3.985 . 0 0 "[ . 1 . 2]" 1
7 1 3 HIS HB3 1 4 MET H 3.570 . 5.160 3.057 2.297 4.143 . 0 0 "[ . 1 . 2]" 1
8 1 3 HIS HB3 1 22 GLU HB2 2.970 . 4.070 3.257 2.081 4.660 0.590 14 1 "[ . 1 +. 2]" 1
9 1 3 HIS HB3 1 23 ALA H 3.790 . 5.580 4.015 3.083 5.173 . 0 0 "[ . 1 . 2]" 1
10 1 3 HIS HB3 1 24 VAL HA 4.220 . 6.450 5.106 4.368 5.940 . 0 0 "[ . 1 . 2]" 1
11 1 4 MET H 1 4 MET HB3 3.320 . 4.700 3.497 2.883 3.823 . 0 0 "[ . 1 . 2]" 1
12 1 4 MET H 1 23 ALA H 3.310 . 4.680 2.906 2.710 3.239 . 0 0 "[ . 1 . 2]" 1
13 1 4 MET HA 1 4 MET HB3 2.410 . 3.140 2.526 2.392 3.011 . 0 0 "[ . 1 . 2]" 1
14 1 4 MET HA 1 4 MET HG2 3.190 . 4.460 3.086 2.483 3.807 . 0 0 "[ . 1 . 2]" 1
15 1 4 MET HA 1 4 MET HG3 3.050 . 4.210 3.407 2.404 3.848 . 0 0 "[ . 1 . 2]" 1
16 1 4 MET HA 1 5 GLN H 2.290 . 2.940 2.244 2.180 2.510 . 0 0 "[ . 1 . 2]" 1
17 1 4 MET HB2 1 5 GLN H 3.100 . 4.300 3.794 3.032 4.163 . 0 0 "[ . 1 . 2]" 1
18 1 4 MET HB3 1 4 MET HG2 2.420 . 3.150 2.572 2.384 3.009 . 0 0 "[ . 1 . 2]" 1
19 1 4 MET HB3 1 5 GLN H 2.440 . 3.180 3.355 3.051 4.162 0.982 15 5 "[-** . * 1 + 2]" 1
20 1 4 MET HB3 1 6 TYR QE 3.370 . 4.790 3.685 2.966 4.851 0.061 3 0 "[ . 1 . 2]" 1
21 1 4 MET HG2 1 5 GLN H 3.920 . 5.840 4.509 1.971 5.182 0.029 10 0 "[ . 1 . 2]" 1
22 1 4 MET HG3 1 5 GLN H 4.410 . 6.500 4.572 1.957 5.388 0.023 18 0 "[ . 1 . 2]" 1
23 1 5 GLN H 1 5 GLN HA 2.900 . 3.950 2.881 2.834 2.934 . 0 0 "[ . 1 . 2]" 1
24 1 5 GLN H 1 5 GLN QB 2.460 . 3.220 2.289 2.225 2.379 . 0 0 "[ . 1 . 2]" 1
25 1 5 GLN H 1 5 GLN HG2 4.590 . 6.500 4.433 4.361 4.638 . 0 0 "[ . 1 . 2]" 1
26 1 5 GLN HA 1 5 GLN HB3 2.680 . 3.580 3.022 3.015 3.028 . 0 0 "[ . 1 . 2]" 1
27 1 5 GLN HA 1 5 GLN HG2 3.650 . 5.320 3.144 2.868 3.804 . 0 0 "[ . 1 . 2]" 1
28 1 5 GLN HA 1 5 GLN HG3 2.810 . 3.800 2.668 2.556 3.006 . 0 0 "[ . 1 . 2]" 1
29 1 5 GLN HA 1 6 TYR H 2.170 . 2.760 2.148 2.119 2.182 . 0 0 "[ . 1 . 2]" 1
30 1 5 GLN HA 1 21 THR H 4.550 . 6.500 4.335 4.034 4.616 . 0 0 "[ . 1 . 2]" 1
31 1 5 GLN HA 1 22 GLU HA 2.500 . 3.280 2.796 2.456 3.279 . 0 0 "[ . 1 . 2]" 1
32 1 5 GLN QB 1 5 GLN HE21 3.810 . 5.630 2.768 2.683 2.830 . 0 0 "[ . 1 . 2]" 1
33 1 5 GLN QB 1 6 TYR H 3.730 . 5.470 3.788 3.563 3.963 . 0 0 "[ . 1 . 2]" 1
34 1 5 GLN HB2 1 5 GLN HE22 4.830 . 6.500 4.125 3.774 4.561 . 0 0 "[ . 1 . 2]" 1
35 1 5 GLN HB3 1 21 THR H 5.130 . 6.500 6.255 5.989 6.771 0.271 17 0 "[ . 1 . 2]" 1
36 1 5 GLN HE21 1 5 GLN HG3 3.190 . 4.460 2.921 2.227 3.488 . 0 0 "[ . 1 . 2]" 1
37 1 5 GLN HE21 1 20 THR HB 4.330 . 6.500 4.599 3.931 5.674 . 0 0 "[ . 1 . 2]" 1
38 1 5 GLN HE21 1 20 THR MG 3.400 . 4.850 4.000 3.441 4.651 . 0 0 "[ . 1 . 2]" 1
39 1 5 GLN HE22 1 20 THR MG 3.450 . 4.940 4.111 3.686 4.518 . 0 0 "[ . 1 . 2]" 1
40 1 5 GLN HG2 1 6 TYR H 3.370 . 4.790 3.323 2.606 4.647 . 0 0 "[ . 1 . 2]" 1
41 1 5 GLN HG2 1 20 THR HB 3.230 . 4.530 3.587 3.050 4.118 . 0 0 "[ . 1 . 2]" 1
42 1 5 GLN HG2 1 20 THR MG 3.330 . 4.710 3.315 2.729 3.627 . 0 0 "[ . 1 . 2]" 1
43 1 5 GLN HG2 1 21 THR H 4.460 . 6.500 4.374 3.850 5.218 . 0 0 "[ . 1 . 2]" 1
44 1 5 GLN HG3 1 6 TYR H 3.310 . 4.680 3.343 2.776 4.031 . 0 0 "[ . 1 . 2]" 1
45 1 5 GLN HG3 1 20 THR HB 2.740 . 3.680 3.032 2.895 3.320 . 0 0 "[ . 1 . 2]" 1
46 1 5 GLN HG3 1 21 THR H 3.990 . 5.980 3.969 3.506 4.540 . 0 0 "[ . 1 . 2]" 1
47 1 6 TYR H 1 6 TYR HA 2.820 . 3.820 2.945 2.920 2.965 . 0 0 "[ . 1 . 2]" 1
48 1 6 TYR H 1 6 TYR HB2 2.930 . 4.000 2.543 2.459 2.637 . 0 0 "[ . 1 . 2]" 1
49 1 6 TYR H 1 6 TYR HB3 3.520 . 5.070 3.710 3.635 3.751 . 0 0 "[ . 1 . 2]" 1
50 1 6 TYR H 1 6 TYR QD 2.990 . 4.110 3.097 2.716 3.584 . 0 0 "[ . 1 . 2]" 1
51 1 6 TYR H 1 21 THR H 2.880 . 3.910 3.004 2.594 3.489 . 0 0 "[ . 1 . 2]" 1
52 1 6 TYR H 1 21 THR MG 3.730 . 5.470 3.510 3.302 3.828 . 0 0 "[ . 1 . 2]" 1
53 1 6 TYR HA 1 6 TYR HB2 2.760 . 3.710 3.036 2.996 3.058 . 0 0 "[ . 1 . 2]" 1
54 1 6 TYR HA 1 6 TYR HB3 2.720 . 3.640 2.627 2.568 2.712 . 0 0 "[ . 1 . 2]" 1
55 1 6 TYR HA 1 6 TYR QD 3.120 . 4.330 2.965 2.853 3.083 . 0 0 "[ . 1 . 2]" 1
56 1 6 TYR HA 1 7 LYS H 2.300 . 2.960 2.295 2.192 2.421 . 0 0 "[ . 1 . 2]" 1
57 1 6 TYR HA 1 53 LYS HB2 2.730 . 3.660 3.517 3.192 3.673 0.013 11 0 "[ . 1 . 2]" 1
58 1 6 TYR HA 1 53 LYS HB3 2.630 . 3.490 2.607 2.049 3.423 . 0 0 "[ . 1 . 2]" 1
59 1 6 TYR HB2 1 6 TYR QD 2.460 . 3.220 2.395 2.335 2.457 . 0 0 "[ . 1 . 2]" 1
60 1 6 TYR HB2 1 7 LYS H 3.890 . 5.780 4.033 3.714 4.223 . 0 0 "[ . 1 . 2]" 1
61 1 6 TYR HB2 1 21 THR MG 2.850 . 3.860 2.648 2.356 2.888 . 0 0 "[ . 1 . 2]" 1
62 1 6 TYR HB2 1 29 ALA MB 3.050 . 4.210 2.973 2.668 3.272 . 0 0 "[ . 1 . 2]" 1
63 1 6 TYR HB3 1 6 TYR QD 2.550 . 3.360 2.411 2.362 2.471 . 0 0 "[ . 1 . 2]" 1
64 1 6 TYR HB3 1 7 LYS H 3.280 . 4.620 2.846 2.406 3.164 . 0 0 "[ . 1 . 2]" 1
65 1 6 TYR HB3 1 21 THR H 4.490 . 6.500 4.742 4.210 5.159 . 0 0 "[ . 1 . 2]" 1
66 1 6 TYR HB3 1 21 THR MG 3.120 . 4.340 3.578 3.192 3.867 . 0 0 "[ . 1 . 2]" 1
67 1 6 TYR HB3 1 29 ALA MB 2.750 . 3.700 3.030 2.690 3.424 . 0 0 "[ . 1 . 2]" 1
68 1 6 TYR QD 1 7 LYS H 3.440 . 4.920 3.581 3.026 3.880 . 0 0 "[ . 1 . 2]" 1
69 1 6 TYR QD 1 22 GLU HA 3.700 . 5.410 4.037 3.483 4.485 . 0 0 "[ . 1 . 2]" 1
70 1 6 TYR QD 1 23 ALA H 2.820 . 3.810 2.881 2.329 3.551 . 0 0 "[ . 1 . 2]" 1
71 1 6 TYR QD 1 29 ALA MB 2.660 . 3.550 2.975 2.739 3.256 . 0 0 "[ . 1 . 2]" 1
72 1 6 TYR QD 1 48 TYR QD 3.200 . 4.480 4.287 4.109 4.472 . 0 0 "[ . 1 . 2]" 1
73 1 6 TYR QD 1 53 LYS HA 3.880 . 5.760 3.771 3.418 4.338 . 0 0 "[ . 1 . 2]" 1
74 1 6 TYR QD 1 53 LYS HB2 4.130 . 6.260 4.400 3.736 4.817 . 0 0 "[ . 1 . 2]" 1
75 1 6 TYR QD 1 53 LYS HB3 3.070 . 4.250 2.859 2.191 3.314 . 0 0 "[ . 1 . 2]" 1
76 1 6 TYR QE 1 23 ALA H 3.330 . 4.720 3.927 3.519 4.404 . 0 0 "[ . 1 . 2]" 1
77 1 6 TYR QE 1 26 ALA H 4.360 . 6.500 4.701 4.176 5.065 . 0 0 "[ . 1 . 2]" 1
78 1 6 TYR QE 1 26 ALA HA 2.850 . 3.860 3.184 2.658 3.505 . 0 0 "[ . 1 . 2]" 1
79 1 6 TYR QE 1 26 ALA MB 2.920 . 3.990 3.231 2.482 3.859 . 0 0 "[ . 1 . 2]" 1
80 1 6 TYR QE 1 53 LYS HD2 4.240 . 6.490 4.769 2.476 5.727 . 0 0 "[ . 1 . 2]" 1
81 1 6 TYR QE 1 53 LYS HD3 4.650 . 6.500 5.291 2.949 6.091 . 0 0 "[ . 1 . 2]" 1
82 1 7 LYS H 1 7 LYS QB 2.930 . 3.970 2.925 2.416 3.214 . 0 0 "[ . 1 . 2]" 1
83 1 7 LYS H 1 54 THR H 4.910 . 6.500 4.874 4.646 5.206 . 0 0 "[ . 1 . 2]" 1
84 1 7 LYS H 1 54 THR HA 2.680 . 3.580 2.758 2.596 3.148 . 0 0 "[ . 1 . 2]" 1
85 1 7 LYS H 1 55 TYR H 3.360 . 4.780 3.422 3.198 3.765 . 0 0 "[ . 1 . 2]" 1
86 1 7 LYS HA 1 7 LYS QB 2.610 . 3.460 2.258 2.165 2.491 . 0 0 "[ . 1 . 2]" 1
87 1 7 LYS HA 1 7 LYS HG2 2.990 . 4.110 3.375 2.504 3.853 . 0 0 "[ . 1 . 2]" 1
88 1 7 LYS HA 1 8 LEU H 2.210 . 2.820 2.263 2.182 2.373 . 0 0 "[ . 1 . 2]" 1
89 1 7 LYS HA 1 8 LEU HB2 3.790 . 5.590 4.346 4.145 4.581 . 0 0 "[ . 1 . 2]" 1
90 1 7 LYS HA 1 19 THR H 4.280 . 6.500 4.609 4.172 4.933 . 0 0 "[ . 1 . 2]" 1
91 1 7 LYS HA 1 20 THR HA 2.300 . 2.960 2.364 2.177 2.897 . 0 0 "[ . 1 . 2]" 1
92 1 7 LYS HA 1 20 THR HB 3.950 . 5.900 4.121 3.813 4.563 . 0 0 "[ . 1 . 2]" 1
93 1 7 LYS HA 1 20 THR MG 2.750 . 3.700 2.604 2.495 2.857 . 0 0 "[ . 1 . 2]" 1
94 1 7 LYS HA 1 21 THR H 3.900 . 5.810 3.776 3.477 4.293 . 0 0 "[ . 1 . 2]" 1
95 1 7 LYS HA 1 33 PHE HZ 3.150 . 4.390 3.669 2.996 4.344 . 0 0 "[ . 1 . 2]" 1
96 1 7 LYS QB 1 7 LYS HG3 2.580 . 3.410 2.307 2.144 2.452 . 0 0 "[ . 1 . 2]" 1
97 1 7 LYS QB 1 8 LEU H 3.660 . 5.330 2.866 2.258 3.734 . 0 0 "[ . 1 . 2]" 1
98 1 7 LYS QB 1 54 THR HA 3.080 . 4.270 3.215 1.880 4.003 0.110 13 0 "[ . 1 . 2]" 1
99 1 7 LYS QB 1 54 THR MG . . 3.190 2.776 1.948 3.097 0.012 19 0 "[ . 1 . 2]" 1
100 1 7 LYS QD 1 7 LYS HE3 2.420 . 3.150 2.299 2.160 2.395 . 0 0 "[ . 1 . 2]" 1
101 1 7 LYS QD 1 54 THR HB 3.660 . 5.340 4.362 3.897 4.876 . 0 0 "[ . 1 . 2]" 1
102 1 7 LYS QG 1 54 THR MG 2.460 . 3.220 2.326 1.931 3.323 0.103 1 0 "[ . 1 . 2]" 1
103 1 7 LYS HG2 1 8 LEU H 3.610 . 5.230 4.330 2.855 5.037 . 0 0 "[ . 1 . 2]" 1
104 1 7 LYS HG3 1 8 LEU H 3.740 . 5.490 4.130 2.799 4.992 . 0 0 "[ . 1 . 2]" 1
105 1 8 LEU H 1 8 LEU HB2 2.950 . 4.040 3.155 2.936 3.283 . 0 0 "[ . 1 . 2]" 1
106 1 8 LEU H 1 8 LEU HB3 2.960 . 4.060 2.755 2.601 2.916 . 0 0 "[ . 1 . 2]" 1
107 1 8 LEU H 1 8 LEU MD2 4.190 . 6.390 4.490 4.362 4.646 . 0 0 "[ . 1 . 2]" 1
108 1 8 LEU H 1 19 THR MG 3.770 . 5.550 3.370 3.117 3.696 . 0 0 "[ . 1 . 2]" 1
109 1 8 LEU H 1 20 THR HA 3.300 . 4.660 3.468 3.267 3.880 . 0 0 "[ . 1 . 2]" 1
110 1 8 LEU H 1 20 THR MG 4.140 . 6.280 3.711 3.505 4.063 . 0 0 "[ . 1 . 2]" 1
111 1 8 LEU HA 1 8 LEU HB2 2.590 . 3.430 2.515 2.485 2.560 . 0 0 "[ . 1 . 2]" 1
112 1 8 LEU HA 1 8 LEU HB3 2.960 . 4.060 3.020 3.013 3.026 . 0 0 "[ . 1 . 2]" 1
113 1 8 LEU HA 1 8 LEU MD1 2.370 . 3.070 2.337 2.269 2.411 . 0 0 "[ . 1 . 2]" 1
114 1 8 LEU HA 1 9 ILE H 2.190 . 2.790 2.192 2.154 2.218 . 0 0 "[ . 1 . 2]" 1
115 1 8 LEU HA 1 9 ILE HB 4.100 . 6.200 4.576 4.491 4.744 . 0 0 "[ . 1 . 2]" 1
116 1 8 LEU HA 1 55 TYR H 3.040 . 4.200 2.981 2.910 3.270 . 0 0 "[ . 1 . 2]" 1
117 1 8 LEU HA 1 55 TYR HB2 2.850 . 3.870 3.176 2.923 3.730 . 0 0 "[ . 1 . 2]" 1
118 1 8 LEU HB2 1 8 LEU MD2 2.580 . 3.410 2.433 2.352 2.533 . 0 0 "[ . 1 . 2]" 1
119 1 8 LEU HB2 1 9 ILE H 3.550 . 5.130 4.116 4.009 4.326 . 0 0 "[ . 1 . 2]" 1
120 1 8 LEU HB2 1 19 THR H 3.520 . 5.070 4.922 4.581 5.079 0.009 9 0 "[ . 1 . 2]" 1
121 1 8 LEU HB2 1 19 THR MG 3.380 . 4.810 3.464 2.914 4.338 . 0 0 "[ . 1 . 2]" 1
122 1 8 LEU HB2 1 33 PHE QD 3.580 . 5.180 3.118 2.827 3.290 . 0 0 "[ . 1 . 2]" 1
123 1 8 LEU HB2 1 36 TYR QE 3.540 . 5.100 5.119 4.861 5.396 0.296 19 0 "[ . 1 . 2]" 1
124 1 8 LEU HB3 1 8 LEU MD1 3.070 . 4.250 3.183 3.156 3.219 . 0 0 "[ . 1 . 2]" 1
125 1 8 LEU HB3 1 8 LEU MD2 1.870 . 2.310 2.222 2.172 2.258 . 0 0 "[ . 1 . 2]" 1
126 1 8 LEU HB3 1 8 LEU HG 2.840 . 3.850 2.557 2.499 2.609 . 0 0 "[ . 1 . 2]" 1
127 1 8 LEU HB3 1 9 ILE H 4.340 . 6.500 3.953 3.803 4.145 . 0 0 "[ . 1 . 2]" 1
128 1 8 LEU HB3 1 19 THR H 3.530 . 5.090 3.478 3.119 3.721 . 0 0 "[ . 1 . 2]" 1
129 1 8 LEU HB3 1 19 THR MG 2.640 . 3.510 2.298 1.934 3.067 . 0 0 "[ . 1 . 2]" 1
130 1 8 LEU HB3 1 33 PHE HB3 4.540 . 6.500 4.741 4.255 5.000 . 0 0 "[ . 1 . 2]" 1
131 1 8 LEU HB3 1 33 PHE QD 4.100 . 6.200 4.094 3.783 4.289 . 0 0 "[ . 1 . 2]" 1
132 1 8 LEU HB3 1 36 TYR QE 4.010 . 6.020 3.933 3.523 4.355 . 0 0 "[ . 1 . 2]" 1
133 1 8 LEU HB3 1 55 TYR HB2 4.810 . 6.500 4.968 4.646 5.715 . 0 0 "[ . 1 . 2]" 1
134 1 8 LEU QD 1 33 PHE HB2 3.370 . 4.790 3.213 3.085 3.349 . 0 0 "[ . 1 . 2]" 1
135 1 8 LEU QD 1 33 PHE HB3 2.430 . 3.170 2.219 2.178 2.276 . 0 0 "[ . 1 . 2]" 1
136 1 8 LEU MD1 1 8 LEU HG 2.070 . 2.600 2.125 2.115 2.134 . 0 0 "[ . 1 . 2]" 1
137 1 8 LEU MD1 1 9 ILE H 2.610 . 3.460 2.639 2.362 2.964 . 0 0 "[ . 1 . 2]" 1
138 1 8 LEU MD1 1 33 PHE HB2 3.300 . 4.660 3.592 3.361 3.971 . 0 0 "[ . 1 . 2]" 1
139 1 8 LEU MD1 1 33 PHE HB3 2.580 . 3.410 2.869 2.765 3.287 . 0 0 "[ . 1 . 2]" 1
140 1 8 LEU MD1 1 46 TRP HH2 2.610 . 3.460 3.264 2.852 3.463 0.003 19 0 "[ . 1 . 2]" 1
141 1 8 LEU MD1 1 46 TRP HZ3 2.590 . 3.430 3.419 3.169 3.461 0.031 20 0 "[ . 1 . 2]" 1
142 1 8 LEU MD1 1 55 TYR H 4.240 . 6.490 3.732 3.518 3.964 . 0 0 "[ . 1 . 2]" 1
143 1 8 LEU MD1 1 55 TYR HA 4.390 . 6.500 3.968 3.758 4.284 . 0 0 "[ . 1 . 2]" 1
144 1 8 LEU MD1 1 55 TYR HB2 2.340 . 3.020 2.402 2.139 2.708 . 0 0 "[ . 1 . 2]" 1
145 1 8 LEU MD1 1 55 TYR QD 3.710 . 5.430 3.785 3.561 4.039 . 0 0 "[ . 1 . 2]" 1
146 1 8 LEU MD1 1 56 THR H 4.270 . 6.500 3.831 3.577 4.172 . 0 0 "[ . 1 . 2]" 1
147 1 8 LEU MD1 1 56 THR HA 2.910 . 3.970 3.068 2.827 3.380 . 0 0 "[ . 1 . 2]" 1
148 1 8 LEU MD1 1 57 VAL H 3.170 . 4.430 3.264 2.978 3.540 . 0 0 "[ . 1 . 2]" 1
149 1 8 LEU MD1 1 57 VAL HB 2.610 . 3.460 3.037 2.738 3.493 0.033 19 0 "[ . 1 . 2]" 1
150 1 8 LEU MD2 1 8 LEU HG 2.140 . 2.710 2.108 2.098 2.120 . 0 0 "[ . 1 . 2]" 1
151 1 8 LEU MD2 1 10 LEU HG 3.340 . 4.730 3.883 3.775 4.005 . 0 0 "[ . 1 . 2]" 1
152 1 8 LEU MD2 1 33 PHE HB2 3.700 . 5.410 3.629 3.553 3.744 . 0 0 "[ . 1 . 2]" 1
153 1 8 LEU MD2 1 33 PHE HB3 2.250 . 2.880 2.313 2.234 2.388 . 0 0 "[ . 1 . 2]" 1
154 1 8 LEU MD2 1 36 TYR H 5.010 . 6.500 5.416 5.212 5.690 . 0 0 "[ . 1 . 2]" 1
155 1 8 LEU MD2 1 36 TYR HB3 4.190 . 6.390 3.803 3.544 4.088 . 0 0 "[ . 1 . 2]" 1
156 1 8 LEU MD2 1 36 TYR QD 2.550 . 3.360 2.358 2.286 2.463 . 0 0 "[ . 1 . 2]" 1
157 1 8 LEU MD2 1 36 TYR QE 2.320 . 2.990 2.100 1.750 2.593 . 0 0 "[ . 1 . 2]" 1
158 1 8 LEU MD2 1 37 ALA H 3.690 . 5.390 4.063 3.904 4.289 . 0 0 "[ . 1 . 2]" 1
159 1 8 LEU MD2 1 37 ALA MB 2.910 . 3.970 2.828 2.724 3.018 . 0 0 "[ . 1 . 2]" 1
160 1 8 LEU HG 1 19 THR MG 3.620 . 5.260 3.938 3.445 4.749 . 0 0 "[ . 1 . 2]" 1
161 1 9 ILE H 1 9 ILE HA 2.800 . 3.780 2.943 2.930 2.953 . 0 0 "[ . 1 . 2]" 1
162 1 9 ILE H 1 9 ILE HB 2.510 . 3.300 2.677 2.531 2.781 . 0 0 "[ . 1 . 2]" 1
163 1 9 ILE H 1 9 ILE MD 3.610 . 5.240 4.003 2.776 4.201 . 0 0 "[ . 1 . 2]" 1
164 1 9 ILE H 1 9 ILE HG12 3.810 . 5.620 4.139 3.924 4.310 . 0 0 "[ . 1 . 2]" 1
165 1 9 ILE H 1 9 ILE HG13 3.200 . 4.480 3.052 2.632 4.470 . 0 0 "[ . 1 . 2]" 1
166 1 9 ILE H 1 9 ILE MG 3.780 . 5.570 3.842 3.704 3.905 . 0 0 "[ . 1 . 2]" 1
167 1 9 ILE H 1 54 THR MG 2.970 . 4.070 3.641 3.210 4.055 . 0 0 "[ . 1 . 2]" 1
168 1 9 ILE H 1 55 TYR H 4.630 . 6.500 4.586 4.234 4.935 . 0 0 "[ . 1 . 2]" 1
169 1 9 ILE H 1 56 THR HA 2.420 . 3.150 2.640 2.429 2.856 . 0 0 "[ . 1 . 2]" 1
170 1 9 ILE H 1 57 VAL H 3.560 . 5.140 3.591 3.289 3.789 . 0 0 "[ . 1 . 2]" 1
171 1 9 ILE HA 1 9 ILE HB 2.760 . 3.710 3.035 3.011 3.042 . 0 0 "[ . 1 . 2]" 1
172 1 9 ILE HA 1 9 ILE MD 3.710 . 5.430 3.804 2.367 3.973 . 0 0 "[ . 1 . 2]" 1
173 1 9 ILE HA 1 9 ILE HG12 2.680 . 3.580 2.674 2.504 3.684 0.104 12 0 "[ . 1 . 2]" 1
174 1 9 ILE HA 1 9 ILE MG 2.270 . 2.910 2.418 2.309 2.601 . 0 0 "[ . 1 . 2]" 1
175 1 9 ILE HA 1 10 LEU H 2.030 . 2.550 2.166 2.145 2.199 . 0 0 "[ . 1 . 2]" 1
176 1 9 ILE HA 1 18 GLU HA 2.410 . 3.140 2.453 2.431 2.488 . 0 0 "[ . 1 . 2]" 1
177 1 9 ILE HA 1 18 GLU HG2 3.380 . 4.810 3.387 2.379 5.072 0.262 7 0 "[ . 1 . 2]" 1
178 1 9 ILE HA 1 19 THR H 3.790 . 5.580 3.955 3.791 4.136 . 0 0 "[ . 1 . 2]" 1
179 1 9 ILE HB 1 9 ILE MD 2.500 . 3.280 2.409 2.331 2.584 . 0 0 "[ . 1 . 2]" 1
180 1 9 ILE HB 1 9 ILE HG12 2.840 . 3.850 3.014 2.349 3.056 . 0 0 "[ . 1 . 2]" 1
181 1 9 ILE HB 1 9 ILE MG 2.130 . 2.700 2.126 2.104 2.133 . 0 0 "[ . 1 . 2]" 1
182 1 9 ILE HB 1 56 THR HA 2.630 . 3.490 3.114 2.835 3.348 . 0 0 "[ . 1 . 2]" 1
183 1 9 ILE HB 1 56 THR MG 2.330 . 3.010 2.472 2.305 2.697 . 0 0 "[ . 1 . 2]" 1
184 1 9 ILE HB 1 57 VAL H 3.830 . 5.660 4.108 3.774 4.394 . 0 0 "[ . 1 . 2]" 1
185 1 9 ILE MD 1 9 ILE HG12 2.290 . 2.950 2.125 2.106 2.136 . 0 0 "[ . 1 . 2]" 1
186 1 9 ILE MD 1 9 ILE HG13 2.250 . 2.880 2.136 2.129 2.143 . 0 0 "[ . 1 . 2]" 1
187 1 9 ILE MD 1 10 LEU H 5.260 . 6.500 5.167 4.279 5.336 . 0 0 "[ . 1 . 2]" 1
188 1 9 ILE MD 1 54 THR MG 2.230 . 2.850 2.364 2.207 2.558 . 0 0 "[ . 1 . 2]" 1
189 1 9 ILE MD 1 56 THR HA 3.460 . 4.960 4.430 3.756 4.781 . 0 0 "[ . 1 . 2]" 1
190 1 9 ILE HG12 1 9 ILE MG 2.380 . 3.090 2.352 2.209 2.416 . 0 0 "[ . 1 . 2]" 1
191 1 9 ILE HG12 1 19 THR H 4.240 . 6.480 4.941 4.661 6.172 . 0 0 "[ . 1 . 2]" 1
192 1 9 ILE HG12 1 54 THR MG 2.940 . 4.020 3.855 3.595 4.023 0.003 1 0 "[ . 1 . 2]" 1
193 1 9 ILE HG13 1 9 ILE MG 2.910 . 3.970 3.172 2.319 3.243 . 0 0 "[ . 1 . 2]" 1
194 1 9 ILE MG 1 10 LEU H 2.740 . 3.680 2.774 2.605 2.995 . 0 0 "[ . 1 . 2]" 1
195 1 9 ILE MG 1 11 ASN HA 3.400 . 4.850 3.727 3.490 4.046 . 0 0 "[ . 1 . 2]" 1
196 1 9 ILE MG 1 11 ASN HB3 3.110 . 4.320 4.489 4.299 4.862 0.542 15 2 "[ - . 1 + 2]" 1
197 1 9 ILE MG 1 11 ASN HD21 3.890 . 5.780 4.089 3.746 4.706 . 0 0 "[ . 1 . 2]" 1
198 1 9 ILE MG 1 11 ASN HD22 3.460 . 4.960 3.929 3.143 4.930 . 0 0 "[ . 1 . 2]" 1
199 1 9 ILE MG 1 18 GLU HB2 4.030 . 6.060 4.830 3.703 5.522 . 0 0 "[ . 1 . 2]" 1
200 1 9 ILE MG 1 18 GLU HG2 3.250 . 4.570 3.204 2.198 5.158 0.588 7 1 "[ . + 1 . 2]" 1
201 1 9 ILE MG 1 56 THR HA 3.640 . 5.300 4.370 3.938 4.648 . 0 0 "[ . 1 . 2]" 1
202 1 9 ILE MG 1 56 THR MG 2.640 . 3.510 3.072 2.399 3.458 . 0 0 "[ . 1 . 2]" 1
203 1 10 LEU H 1 10 LEU HA 2.820 . 3.820 2.922 2.906 2.931 . 0 0 "[ . 1 . 2]" 1
204 1 10 LEU H 1 10 LEU HB2 2.510 . 3.300 2.623 2.575 2.690 . 0 0 "[ . 1 . 2]" 1
205 1 10 LEU H 1 10 LEU HB3 3.340 . 4.730 3.728 3.704 3.763 . 0 0 "[ . 1 . 2]" 1
206 1 10 LEU H 1 10 LEU MD1 2.810 . 3.800 3.166 3.038 3.347 . 0 0 "[ . 1 . 2]" 1
207 1 10 LEU H 1 10 LEU MD2 2.420 . 3.150 2.241 2.211 2.269 . 0 0 "[ . 1 . 2]" 1
208 1 10 LEU H 1 17 GLY H 2.880 . 3.920 2.997 2.825 3.235 . 0 0 "[ . 1 . 2]" 1
209 1 10 LEU H 1 18 GLU HA 3.100 . 4.300 3.093 2.980 3.257 . 0 0 "[ . 1 . 2]" 1
210 1 10 LEU H 1 18 GLU HB2 4.580 . 6.500 5.505 4.590 5.978 . 0 0 "[ . 1 . 2]" 1
211 1 10 LEU HA 1 10 LEU HB3 2.210 . 2.820 2.442 2.420 2.469 . 0 0 "[ . 1 . 2]" 1
212 1 10 LEU HA 1 10 LEU MD1 2.500 . 3.280 2.170 2.120 2.233 . 0 0 "[ . 1 . 2]" 1
213 1 10 LEU HA 1 10 LEU HG 3.500 . 5.030 3.704 3.661 3.763 . 0 0 "[ . 1 . 2]" 1
214 1 10 LEU HA 1 11 ASN H 2.000 . 2.500 2.139 2.081 2.228 . 0 0 "[ . 1 . 2]" 1
215 1 10 LEU HA 1 11 ASN HA 3.830 . 5.660 4.371 4.337 4.446 . 0 0 "[ . 1 . 2]" 1
216 1 10 LEU HA 1 17 GLY H 4.410 . 6.500 4.788 4.592 4.934 . 0 0 "[ . 1 . 2]" 1
217 1 10 LEU HA 1 57 VAL MG1 2.250 . 2.880 2.280 2.239 2.319 . 0 0 "[ . 1 . 2]" 1
218 1 10 LEU HB2 1 10 LEU MD1 2.660 . 3.540 3.185 3.162 3.204 . 0 0 "[ . 1 . 2]" 1
219 1 10 LEU HB2 1 16 LYS HA 2.430 . 3.170 3.161 2.789 3.219 0.049 17 0 "[ . 1 . 2]" 1
220 1 10 LEU HB2 1 17 GLY H 2.400 . 3.120 2.713 2.668 2.768 . 0 0 "[ . 1 . 2]" 1
221 1 10 LEU HB2 1 17 GLY HA2 3.600 . 5.220 5.007 4.533 5.191 . 0 0 "[ . 1 . 2]" 1
222 1 10 LEU HB2 1 17 GLY HA3 4.060 . 6.120 4.182 3.430 4.518 . 0 0 "[ . 1 . 2]" 1
223 1 10 LEU HB2 1 18 GLU HA 3.830 . 5.660 4.897 4.646 5.089 . 0 0 "[ . 1 . 2]" 1
224 1 10 LEU HB3 1 10 LEU MD1 2.060 . 2.590 2.575 2.506 2.616 0.026 4 0 "[ . 1 . 2]" 1
225 1 10 LEU HB3 1 10 LEU QD 2.680 . 3.580 2.465 2.417 2.492 . 0 0 "[ . 1 . 2]" 1
226 1 10 LEU HB3 1 11 ASN H 3.570 . 5.160 3.695 3.465 3.925 . 0 0 "[ . 1 . 2]" 1
227 1 10 LEU HB3 1 16 LYS HA 4.000 . 6.000 3.951 3.538 4.124 . 0 0 "[ . 1 . 2]" 1
228 1 10 LEU HB3 1 17 GLY H 3.970 . 5.940 4.216 4.089 4.333 . 0 0 "[ . 1 . 2]" 1
229 1 10 LEU MD1 1 10 LEU HG 2.310 . 2.980 2.091 2.082 2.098 . 0 0 "[ . 1 . 2]" 1
230 1 10 LEU MD1 1 11 ASN H 4.210 . 6.420 3.872 3.745 3.994 . 0 0 "[ . 1 . 2]" 1
231 1 10 LEU MD1 1 18 GLU HA 3.340 . 4.740 4.616 4.516 4.690 . 0 0 "[ . 1 . 2]" 1
232 1 10 LEU MD1 1 36 TYR QD 2.850 . 3.860 3.238 2.911 3.534 . 0 0 "[ . 1 . 2]" 1
233 1 10 LEU MD1 1 36 TYR QE 2.590 . 3.430 2.505 2.248 2.822 . 0 0 "[ . 1 . 2]" 1
234 1 10 LEU MD1 1 37 ALA H 4.020 . 6.040 4.597 4.494 4.724 . 0 0 "[ . 1 . 2]" 1
235 1 10 LEU MD1 1 37 ALA HA 2.590 . 3.430 3.458 3.434 3.478 0.048 10 0 "[ . 1 . 2]" 1
236 1 10 LEU MD1 1 37 ALA MB 2.520 . 3.310 2.701 2.545 2.942 . 0 0 "[ . 1 . 2]" 1
237 1 10 LEU MD1 1 40 ASN HD21 4.190 . 6.380 5.056 3.961 5.543 . 0 0 "[ . 1 . 2]" 1
238 1 10 LEU MD1 1 40 ASN HD22 4.790 . 6.500 5.407 3.551 6.508 0.008 18 0 "[ . 1 . 2]" 1
239 1 10 LEU MD1 1 42 VAL HB 2.550 . 3.370 3.353 3.286 3.383 0.013 16 0 "[ . 1 . 2]" 1
240 1 10 LEU MD1 1 57 VAL H 3.670 . 5.360 3.824 3.635 4.032 . 0 0 "[ . 1 . 2]" 1
241 1 10 LEU MD1 1 57 VAL HB 4.090 . 6.180 3.927 3.821 4.045 . 0 0 "[ . 1 . 2]" 1
242 1 10 LEU MD2 1 16 LYS HA 3.920 . 5.840 4.591 4.303 4.706 . 0 0 "[ . 1 . 2]" 1
243 1 10 LEU MD2 1 17 GLY H 3.270 . 4.610 3.508 3.382 3.647 . 0 0 "[ . 1 . 2]" 1
244 1 10 LEU MD2 1 17 GLY HA2 3.360 . 4.770 4.517 4.131 4.802 0.032 17 0 "[ . 1 . 2]" 1
245 1 10 LEU MD2 1 17 GLY HA3 3.820 . 5.640 3.470 2.847 3.891 . 0 0 "[ . 1 . 2]" 1
246 1 10 LEU MD2 1 18 GLU H 3.660 . 5.340 3.881 3.335 4.234 . 0 0 "[ . 1 . 2]" 1
247 1 10 LEU MD2 1 18 GLU HA 2.550 . 3.360 2.791 2.492 2.973 . 0 0 "[ . 1 . 2]" 1
248 1 10 LEU MD2 1 19 THR HB 3.620 . 5.260 3.840 3.362 4.482 . 0 0 "[ . 1 . 2]" 1
249 1 10 LEU MD2 1 36 TYR QE 2.490 . 3.260 1.944 1.666 2.302 0.054 19 0 "[ . 1 . 2]" 1
250 1 10 LEU HG 1 57 VAL MG1 3.830 . 5.660 3.938 3.838 4.003 . 0 0 "[ . 1 . 2]" 1
251 1 11 ASN H 1 11 ASN HA 2.890 . 3.930 2.932 2.895 2.951 . 0 0 "[ . 1 . 2]" 1
252 1 11 ASN H 1 11 ASN HB2 2.690 . 3.590 2.624 2.391 2.857 . 0 0 "[ . 1 . 2]" 1
253 1 11 ASN H 1 11 ASN HB3 3.220 . 4.520 3.299 2.654 3.722 . 0 0 "[ . 1 . 2]" 1
254 1 11 ASN H 1 12 GLY H 3.800 . 5.610 3.841 3.583 3.957 . 0 0 "[ . 1 . 2]" 1
255 1 11 ASN H 1 56 THR MG 3.830 . 5.670 4.086 3.386 4.952 . 0 0 "[ . 1 . 2]" 1
256 1 11 ASN H 1 57 VAL H 3.430 . 4.900 3.660 3.443 4.082 . 0 0 "[ . 1 . 2]" 1
257 1 11 ASN H 1 57 VAL MG1 3.060 . 4.230 2.860 2.711 3.180 . 0 0 "[ . 1 . 2]" 1
258 1 11 ASN H 1 58 THR HA 2.990 . 4.110 3.353 3.106 3.666 . 0 0 "[ . 1 . 2]" 1
259 1 11 ASN HA 1 11 ASN HB2 2.760 . 3.710 2.863 2.573 3.049 . 0 0 "[ . 1 . 2]" 1
260 1 11 ASN HA 1 11 ASN HB3 2.520 . 3.310 2.677 2.347 3.022 . 0 0 "[ . 1 . 2]" 1
261 1 11 ASN HA 1 12 GLY H 2.260 . 2.900 2.264 2.228 2.312 . 0 0 "[ . 1 . 2]" 1
262 1 11 ASN HA 1 12 GLY HA3 4.450 . 6.500 4.558 4.522 4.592 . 0 0 "[ . 1 . 2]" 1
263 1 11 ASN HA 1 16 LYS HB2 3.870 . 5.740 5.453 4.340 5.755 0.015 1 0 "[ . 1 . 2]" 1
264 1 11 ASN HA 1 16 LYS HB3 3.690 . 5.400 4.109 2.607 4.876 . 0 0 "[ . 1 . 2]" 1
265 1 11 ASN HA 1 16 LYS QG 2.890 . 3.930 3.276 2.282 3.653 . 0 0 "[ . 1 . 2]" 1
266 1 11 ASN HB2 1 11 ASN HD21 2.810 . 3.800 2.512 2.147 3.331 . 0 0 "[ . 1 . 2]" 1
267 1 11 ASN HB2 1 58 THR HA 2.490 . 3.270 2.640 1.789 3.818 0.548 20 1 "[ . 1 . +]" 1
268 1 11 ASN HB2 1 58 THR MG 3.010 . 4.140 2.864 1.904 3.996 . 0 0 "[ . 1 . 2]" 1
269 1 11 ASN HB3 1 11 ASN HD21 3.200 . 4.480 2.719 2.095 3.462 . 0 0 "[ . 1 . 2]" 1
270 1 11 ASN HB3 1 58 THR HA 3.110 . 4.320 2.931 1.952 3.880 . 0 0 "[ . 1 . 2]" 1
271 1 11 ASN HB3 1 58 THR MG 3.170 . 4.430 2.612 1.898 3.225 0.012 7 0 "[ . 1 . 2]" 1
272 1 11 ASN HD21 1 56 THR MG 3.130 . 4.350 3.683 2.969 4.842 0.492 7 0 "[ . 1 . 2]" 1
273 1 11 ASN HD21 1 58 THR MG 2.620 . 3.480 3.175 2.062 3.505 0.025 6 0 "[ . 1 . 2]" 1
274 1 11 ASN HD22 1 56 THR MG 3.450 . 4.940 3.722 1.955 4.991 0.051 20 0 "[ . 1 . 2]" 1
275 1 11 ASN HD22 1 58 THR MG 4.390 . 6.500 3.972 3.508 4.495 . 0 0 "[ . 1 . 2]" 1
276 1 12 GLY H 1 12 GLY HA2 2.750 . 3.690 2.937 2.909 2.961 . 0 0 "[ . 1 . 2]" 1
277 1 12 GLY H 1 12 GLY HA3 2.230 . 2.850 2.595 2.512 2.668 . 0 0 "[ . 1 . 2]" 1
278 1 12 GLY H 1 16 LYS HA 2.850 . 3.870 2.920 2.707 3.108 . 0 0 "[ . 1 . 2]" 1
279 1 12 GLY H 1 16 LYS HB2 4.550 . 6.500 4.860 4.163 5.075 . 0 0 "[ . 1 . 2]" 1
280 1 12 GLY H 1 16 LYS QG 2.980 . 4.090 2.457 2.355 2.808 . 0 0 "[ . 1 . 2]" 1
281 1 12 GLY H 1 42 VAL MG2 3.880 . 5.760 4.706 4.495 4.790 . 0 0 "[ . 1 . 2]" 1
282 1 12 GLY HA2 1 13 LYS H 2.270 . 2.910 2.287 2.121 2.796 . 0 0 "[ . 1 . 2]" 1
283 1 12 GLY HA2 1 13 LYS HB2 4.550 . 6.500 4.836 4.592 5.850 . 0 0 "[ . 1 . 2]" 1
284 1 12 GLY HA2 1 14 THR H 4.480 . 6.500 4.305 3.668 5.367 . 0 0 "[ . 1 . 2]" 1
285 1 12 GLY HA2 1 15 LEU H 4.770 . 6.500 4.632 4.388 5.052 . 0 0 "[ . 1 . 2]" 1
286 1 12 GLY HA2 1 16 LYS QG 3.790 . 5.590 4.251 3.938 4.478 . 0 0 "[ . 1 . 2]" 1
287 1 12 GLY HA2 1 42 VAL MG1 3.110 . 4.320 4.217 3.771 4.316 . 0 0 "[ . 1 . 2]" 1
288 1 12 GLY HA2 1 42 VAL MG2 4.170 . 6.340 4.828 4.438 5.235 . 0 0 "[ . 1 . 2]" 1
289 1 12 GLY HA2 1 59 GLU H 3.350 . 4.750 3.366 3.018 3.774 . 0 0 "[ . 1 . 2]" 1
290 1 12 GLY HA2 1 59 GLU HB2 2.230 . 2.850 2.442 2.210 2.665 . 0 0 "[ . 1 . 2]" 1
291 1 12 GLY HA2 1 59 GLU HB3 3.120 . 4.340 3.118 2.199 3.885 . 0 0 "[ . 1 . 2]" 1
292 1 12 GLY HA2 1 59 GLU QG 3.280 . 4.630 2.844 2.131 3.443 . 0 0 "[ . 1 . 2]" 1
293 1 12 GLY HA3 1 13 LYS H 2.670 . 3.560 2.915 2.329 3.237 . 0 0 "[ . 1 . 2]" 1
294 1 12 GLY HA3 1 15 LEU H 3.030 . 4.170 3.370 3.249 3.584 . 0 0 "[ . 1 . 2]" 1
295 1 12 GLY HA3 1 16 LYS QG 3.610 . 5.240 4.022 3.597 4.463 . 0 0 "[ . 1 . 2]" 1
296 1 12 GLY HA3 1 42 VAL MG1 3.190 . 4.460 3.369 3.072 3.908 . 0 0 "[ . 1 . 2]" 1
297 1 12 GLY HA3 1 42 VAL MG2 3.100 . 4.300 3.483 3.237 3.746 . 0 0 "[ . 1 . 2]" 1
298 1 12 GLY HA3 1 59 GLU H 4.380 . 6.500 4.353 3.743 4.759 . 0 0 "[ . 1 . 2]" 1
299 1 12 GLY HA3 1 59 GLU HB2 3.640 . 5.300 3.376 2.896 3.628 . 0 0 "[ . 1 . 2]" 1
300 1 12 GLY HA3 1 59 GLU HB3 3.990 . 5.980 4.154 3.484 4.658 . 0 0 "[ . 1 . 2]" 1
301 1 13 LYS H 1 13 LYS HA 2.810 . 3.800 2.775 2.683 2.909 . 0 0 "[ . 1 . 2]" 1
302 1 13 LYS H 1 13 LYS HB2 2.260 . 2.900 2.643 2.494 3.540 0.640 8 1 "[ . + 1 . 2]" 1
303 1 13 LYS H 1 13 LYS HG3 2.470 . 3.230 2.279 1.567 3.387 0.157 13 0 "[ . 1 . 2]" 1
304 1 13 LYS H 1 14 THR H 3.050 . 4.210 2.840 2.675 3.075 . 0 0 "[ . 1 . 2]" 1
305 1 13 LYS H 1 15 LEU H 4.100 . 6.200 4.096 3.260 4.707 . 0 0 "[ . 1 . 2]" 1
306 1 13 LYS H 1 16 LYS QG 3.210 . 4.500 4.375 4.232 4.475 . 0 0 "[ . 1 . 2]" 1
307 1 13 LYS H 1 42 VAL MG1 4.570 . 6.500 5.534 4.804 5.886 . 0 0 "[ . 1 . 2]" 1
308 1 13 LYS H 1 42 VAL MG2 4.560 . 6.500 5.500 4.492 6.167 . 0 0 "[ . 1 . 2]" 1
309 1 13 LYS H 1 59 GLU HB2 3.330 . 4.710 3.755 3.014 4.410 . 0 0 "[ . 1 . 2]" 1
310 1 13 LYS H 1 59 GLU HB3 3.390 . 4.820 3.992 3.058 4.446 . 0 0 "[ . 1 . 2]" 1
311 1 13 LYS H 1 59 GLU QG 3.020 . 4.160 3.634 3.131 4.030 . 0 0 "[ . 1 . 2]" 1
312 1 13 LYS HA 1 13 LYS HB2 2.510 . 3.300 3.003 2.614 3.031 . 0 0 "[ . 1 . 2]" 1
313 1 13 LYS HA 1 13 LYS QB 2.530 . 3.330 2.349 2.177 2.405 . 0 0 "[ . 1 . 2]" 1
314 1 13 LYS HA 1 13 LYS HB3 2.240 . 2.870 2.455 2.330 2.527 . 0 0 "[ . 1 . 2]" 1
315 1 13 LYS HA 1 13 LYS QD 3.740 . 5.480 3.887 2.146 4.244 . 0 0 "[ . 1 . 2]" 1
316 1 13 LYS HA 1 13 LYS HG2 2.510 . 3.300 2.659 2.337 3.448 0.148 8 0 "[ . 1 . 2]" 1
317 1 13 LYS HA 1 14 THR H 3.390 . 4.830 3.526 3.418 3.642 . 0 0 "[ . 1 . 2]" 1
318 1 13 LYS HA 1 16 LYS QG 2.950 . 4.040 3.555 3.020 4.055 0.015 8 0 "[ . 1 . 2]" 1
319 1 13 LYS HB2 1 13 LYS HE2 3.460 . 4.960 4.097 2.847 5.046 0.086 8 0 "[ . 1 . 2]" 1
320 1 13 LYS HB2 1 14 THR H 2.780 . 3.750 2.843 2.444 3.320 . 0 0 "[ . 1 . 2]" 1
321 1 13 LYS HD3 1 13 LYS HE2 2.170 . 2.760 2.511 2.284 3.015 0.255 18 0 "[ . 1 . 2]" 1
322 1 13 LYS HE2 1 13 LYS HG2 2.800 . 3.780 3.341 2.444 4.206 0.426 14 0 "[ . 1 . 2]" 1
323 1 14 THR H 1 14 THR HB 3.440 . 4.920 3.029 2.527 3.648 . 0 0 "[ . 1 . 2]" 1
324 1 14 THR H 1 14 THR MG 3.740 . 5.490 3.322 2.454 3.850 . 0 0 "[ . 1 . 2]" 1
325 1 14 THR H 1 15 LEU H 2.450 . 3.200 2.383 2.233 2.536 . 0 0 "[ . 1 . 2]" 1
326 1 14 THR H 1 16 LYS QG 3.440 . 4.920 4.651 4.420 4.769 . 0 0 "[ . 1 . 2]" 1
327 1 14 THR HA 1 14 THR MG 2.470 . 3.230 2.339 2.237 3.218 . 0 0 "[ . 1 . 2]" 1
328 1 14 THR HA 1 15 LEU H 3.030 . 4.170 3.425 3.124 3.593 . 0 0 "[ . 1 . 2]" 1
329 1 14 THR HB 1 14 THR MG 2.100 . 2.650 2.138 2.132 2.145 . 0 0 "[ . 1 . 2]" 1
330 1 14 THR HB 1 15 LEU H 3.140 . 4.370 3.391 2.647 4.327 . 0 0 "[ . 1 . 2]" 1
331 1 14 THR MG 1 15 LEU H 4.160 . 6.320 3.979 3.292 4.356 . 0 0 "[ . 1 . 2]" 1
332 1 15 LEU H 1 15 LEU HA 2.720 . 3.650 2.898 2.842 2.935 . 0 0 "[ . 1 . 2]" 1
333 1 15 LEU H 1 15 LEU HB2 2.610 . 3.460 2.906 2.387 3.773 0.313 4 0 "[ . 1 . 2]" 1
334 1 15 LEU H 1 15 LEU HB3 2.750 . 3.700 3.255 2.599 3.645 . 0 0 "[ . 1 . 2]" 1
335 1 15 LEU H 1 15 LEU QD 3.720 . 5.450 3.533 1.405 3.881 0.585 4 1 "[ +. 1 . 2]" 1
336 1 15 LEU H 1 16 LYS H 4.000 . 6.000 3.847 3.519 4.134 . 0 0 "[ . 1 . 2]" 1
337 1 15 LEU H 1 16 LYS HD2 3.720 . 5.450 4.926 4.368 5.992 0.542 17 1 "[ . 1 . + 2]" 1
338 1 15 LEU HA 1 15 LEU HB2 2.430 . 3.170 2.736 2.410 2.973 . 0 0 "[ . 1 . 2]" 1
339 1 15 LEU HA 1 15 LEU HB3 2.370 . 3.070 2.845 2.480 3.030 . 0 0 "[ . 1 . 2]" 1
340 1 15 LEU HA 1 15 LEU QD 3.110 . 3.270 2.015 1.732 3.057 0.168 3 0 "[ . 1 . 2]" 1
341 1 15 LEU HA 1 16 LYS H 2.070 . 2.600 2.175 2.110 2.232 . 0 0 "[ . 1 . 2]" 1
342 1 15 LEU HB2 1 15 LEU QD 2.520 . 3.320 2.227 2.083 2.505 . 0 0 "[ . 1 . 2]" 1
343 1 15 LEU HB2 1 16 LYS H 4.630 . 6.500 4.483 3.295 4.655 . 0 0 "[ . 1 . 2]" 1
344 1 15 LEU HB3 1 15 LEU QD 2.770 . 3.090 2.274 2.025 2.517 . 0 0 "[ . 1 . 2]" 1
345 1 15 LEU HB3 1 16 LYS H 4.120 . 6.240 4.102 3.706 4.392 . 0 0 "[ . 1 . 2]" 1
346 1 15 LEU QD 1 16 LYS H 3.070 . 4.250 2.964 2.258 3.561 . 0 0 "[ . 1 . 2]" 1
347 1 15 LEU QD 1 40 ASN QB 2.480 . 3.250 2.456 1.821 2.958 . 0 0 "[ . 1 . 2]" 1
348 1 16 LYS H 1 16 LYS HA 2.860 . 3.880 2.941 2.922 2.954 . 0 0 "[ . 1 . 2]" 1
349 1 16 LYS H 1 16 LYS HB2 2.680 . 3.580 2.670 2.394 3.220 . 0 0 "[ . 1 . 2]" 1
350 1 16 LYS H 1 16 LYS HB3 4.000 . 6.000 3.763 3.616 3.897 . 0 0 "[ . 1 . 2]" 1
351 1 16 LYS H 1 16 LYS QG 3.360 . 4.780 3.132 2.920 3.363 . 0 0 "[ . 1 . 2]" 1
352 1 16 LYS HA 1 16 LYS HB2 2.810 . 3.800 3.019 2.938 3.033 . 0 0 "[ . 1 . 2]" 1
353 1 16 LYS HA 1 16 LYS HB3 2.410 . 3.140 2.474 2.293 2.617 . 0 0 "[ . 1 . 2]" 1
354 1 16 LYS HA 1 16 LYS QG 2.540 . 3.350 2.549 2.380 2.974 . 0 0 "[ . 1 . 2]" 1
355 1 16 LYS HA 1 17 GLY H 2.020 . 2.530 2.170 2.098 2.388 . 0 0 "[ . 1 . 2]" 1
356 1 16 LYS HA 1 17 GLY HA2 4.890 . 6.500 4.429 4.374 4.567 . 0 0 "[ . 1 . 2]" 1
357 1 16 LYS HA 1 17 GLY HA3 4.580 . 6.500 4.344 4.272 4.412 . 0 0 "[ . 1 . 2]" 1
358 1 16 LYS HB2 1 16 LYS QG 2.640 . 3.510 2.455 2.184 2.517 . 0 0 "[ . 1 . 2]" 1
359 1 16 LYS HB2 1 17 GLY H 3.790 . 5.590 4.110 3.399 4.444 . 0 0 "[ . 1 . 2]" 1
360 1 16 LYS HB3 1 16 LYS QG 2.010 . 2.520 2.189 2.128 2.322 . 0 0 "[ . 1 . 2]" 1
361 1 16 LYS HB3 1 17 GLY H 3.100 . 4.300 3.289 2.641 3.630 . 0 0 "[ . 1 . 2]" 1
362 1 16 LYS HD2 1 16 LYS HE3 2.750 . 3.690 2.543 2.310 3.013 . 0 0 "[ . 1 . 2]" 1
363 1 16 LYS HD3 1 16 LYS HE3 2.750 . 3.690 2.758 2.424 3.022 . 0 0 "[ . 1 . 2]" 1
364 1 16 LYS HD3 1 16 LYS QG 1.880 . 2.320 2.247 2.115 2.317 . 0 0 "[ . 1 . 2]" 1
365 1 16 LYS QE 1 16 LYS QG 2.820 . 3.810 2.488 2.114 2.887 . 0 0 "[ . 1 . 2]" 1
366 1 17 GLY H 1 17 GLY HA2 2.680 . 3.580 2.765 2.752 2.790 . 0 0 "[ . 1 . 2]" 1
367 1 17 GLY H 1 17 GLY HA3 2.740 . 3.680 2.835 2.817 2.850 . 0 0 "[ . 1 . 2]" 1
368 1 17 GLY HA2 1 18 GLU H 2.340 . 3.020 2.680 2.479 2.809 . 0 0 "[ . 1 . 2]" 1
369 1 17 GLY HA2 1 18 GLU HA 4.510 . 6.500 4.533 4.449 4.633 . 0 0 "[ . 1 . 2]" 1
370 1 17 GLY HA2 1 18 GLU HG3 3.210 . 4.500 3.640 3.107 5.339 0.839 7 2 "[ - . + 1 . 2]" 1
371 1 17 GLY HA3 1 18 GLU H 2.570 . 3.390 2.471 2.383 2.662 . 0 0 "[ . 1 . 2]" 1
372 1 17 GLY HA3 1 18 GLU HA 4.450 . 6.500 4.341 4.237 4.395 . 0 0 "[ . 1 . 2]" 1
373 1 17 GLY HA3 1 18 GLU HG3 4.300 . 6.500 4.608 4.200 6.211 . 0 0 "[ . 1 . 2]" 1
374 1 18 GLU H 1 18 GLU HA 2.910 . 3.970 2.911 2.840 2.942 . 0 0 "[ . 1 . 2]" 1
375 1 18 GLU H 1 18 GLU HB2 3.090 . 4.280 3.137 2.677 4.014 . 0 0 "[ . 1 . 2]" 1
376 1 18 GLU H 1 18 GLU HG2 3.690 . 5.390 4.042 2.792 4.523 . 0 0 "[ . 1 . 2]" 1
377 1 18 GLU H 1 18 GLU HG3 3.540 . 5.110 3.152 2.678 4.257 . 0 0 "[ . 1 . 2]" 1
378 1 18 GLU HA 1 18 GLU HB2 2.700 . 3.610 2.891 2.491 3.039 . 0 0 "[ . 1 . 2]" 1
379 1 18 GLU HA 1 18 GLU HB3 2.390 . 3.110 2.422 2.268 2.555 . 0 0 "[ . 1 . 2]" 1
380 1 18 GLU HA 1 18 GLU HG2 3.540 . 5.100 3.203 2.549 4.235 . 0 0 "[ . 1 . 2]" 1
381 1 18 GLU HA 1 18 GLU HG3 3.520 . 5.070 3.189 2.524 4.231 . 0 0 "[ . 1 . 2]" 1
382 1 18 GLU HA 1 19 THR H 2.100 . 2.650 2.386 2.284 2.480 . 0 0 "[ . 1 . 2]" 1
383 1 18 GLU HA 1 19 THR MG 3.460 . 4.960 3.608 3.498 3.722 . 0 0 "[ . 1 . 2]" 1
384 1 18 GLU HB2 1 19 THR H 3.180 . 4.450 3.221 2.498 3.728 . 0 0 "[ . 1 . 2]" 1
385 1 18 GLU HB3 1 19 THR H 2.950 . 4.040 2.757 2.163 3.815 . 0 0 "[ . 1 . 2]" 1
386 1 18 GLU HG2 1 19 THR H 4.650 . 6.500 4.368 3.786 5.097 . 0 0 "[ . 1 . 2]" 1
387 1 18 GLU HG3 1 19 THR H 4.340 . 6.500 4.682 4.074 5.023 . 0 0 "[ . 1 . 2]" 1
388 1 19 THR H 1 19 THR HA 2.850 . 3.860 2.868 2.826 2.902 . 0 0 "[ . 1 . 2]" 1
389 1 19 THR H 1 19 THR HB 3.590 . 5.200 3.426 3.304 3.519 . 0 0 "[ . 1 . 2]" 1
390 1 19 THR H 1 19 THR MG 2.710 . 3.630 2.610 2.568 2.722 . 0 0 "[ . 1 . 2]" 1
391 1 19 THR H 1 20 THR MG 3.900 . 5.810 4.062 3.759 4.346 . 0 0 "[ . 1 . 2]" 1
392 1 19 THR HA 1 19 THR HB 2.350 . 3.040 2.489 2.459 2.514 . 0 0 "[ . 1 . 2]" 1
393 1 19 THR HA 1 19 THR MG 3.290 . 4.640 3.222 3.205 3.233 . 0 0 "[ . 1 . 2]" 1
394 1 19 THR HA 1 20 THR H 2.330 . 3.010 2.500 2.296 2.644 . 0 0 "[ . 1 . 2]" 1
395 1 19 THR HB 1 19 THR MG 2.290 . 2.950 2.152 2.147 2.156 . 0 0 "[ . 1 . 2]" 1
396 1 19 THR HB 1 20 THR H 3.720 . 5.450 3.771 3.602 3.969 . 0 0 "[ . 1 . 2]" 1
397 1 19 THR HB 1 36 TYR QE 3.950 . 5.900 3.999 3.595 4.971 . 0 0 "[ . 1 . 2]" 1
398 1 19 THR MG 1 20 THR H 3.120 . 4.330 3.158 2.885 3.625 . 0 0 "[ . 1 . 2]" 1
399 1 19 THR MG 1 33 PHE QD 2.940 . 4.020 3.433 3.036 3.954 . 0 0 "[ . 1 . 2]" 1
400 1 19 THR MG 1 33 PHE QE 2.750 . 3.690 2.256 1.932 2.576 . 0 0 "[ . 1 . 2]" 1
401 1 19 THR MG 1 36 TYR QE 2.650 . 3.530 2.542 2.199 2.970 . 0 0 "[ . 1 . 2]" 1
402 1 20 THR H 1 20 THR HA 2.910 . 3.970 2.931 2.912 2.953 . 0 0 "[ . 1 . 2]" 1
403 1 20 THR H 1 20 THR HB 3.790 . 5.590 3.800 3.679 3.876 . 0 0 "[ . 1 . 2]" 1
404 1 20 THR H 1 20 THR MG 3.060 . 4.230 3.177 2.873 3.362 . 0 0 "[ . 1 . 2]" 1
405 1 20 THR H 1 21 THR H 4.370 . 6.500 4.429 4.380 4.505 . 0 0 "[ . 1 . 2]" 1
406 1 20 THR HA 1 20 THR HB 2.400 . 3.120 2.540 2.491 2.638 . 0 0 "[ . 1 . 2]" 1
407 1 20 THR HA 1 20 THR MG 2.550 . 3.360 2.353 2.298 2.406 . 0 0 "[ . 1 . 2]" 1
408 1 20 THR HA 1 21 THR H 2.330 . 3.010 2.348 2.276 2.422 . 0 0 "[ . 1 . 2]" 1
409 1 20 THR HA 1 33 PHE HZ 2.560 . 3.380 2.629 2.407 2.865 . 0 0 "[ . 1 . 2]" 1
410 1 20 THR HB 1 20 THR MG 2.190 . 2.790 2.144 2.139 2.151 . 0 0 "[ . 1 . 2]" 1
411 1 20 THR HB 1 21 THR H 2.530 . 3.330 2.547 2.458 2.763 . 0 0 "[ . 1 . 2]" 1
412 1 20 THR HB 1 21 THR MG 5.050 . 6.500 4.904 4.808 5.080 . 0 0 "[ . 1 . 2]" 1
413 1 20 THR HB 1 33 PHE HZ 4.630 . 6.500 4.732 4.585 4.823 . 0 0 "[ . 1 . 2]" 1
414 1 20 THR MG 1 21 THR H 4.200 . 6.410 3.569 3.313 3.735 . 0 0 "[ . 1 . 2]" 1
415 1 21 THR H 1 21 THR HB 3.600 . 5.220 3.331 3.266 3.380 . 0 0 "[ . 1 . 2]" 1
416 1 21 THR H 1 21 THR MG 2.920 . 3.980 2.726 2.688 2.775 . 0 0 "[ . 1 . 2]" 1
417 1 21 THR H 1 33 PHE HZ 2.920 . 3.990 3.026 2.762 3.319 . 0 0 "[ . 1 . 2]" 1
418 1 21 THR HA 1 21 THR HB 2.530 . 3.330 2.570 2.533 2.602 . 0 0 "[ . 1 . 2]" 1
419 1 21 THR HA 1 21 THR MG 3.350 . 4.750 3.220 3.207 3.239 . 0 0 "[ . 1 . 2]" 1
420 1 21 THR HA 1 22 GLU H 2.350 . 3.040 2.337 2.242 2.395 . 0 0 "[ . 1 . 2]" 1
421 1 21 THR HB 1 21 THR MG 2.390 . 3.100 2.167 2.161 2.171 . 0 0 "[ . 1 . 2]" 1
422 1 21 THR HB 1 22 GLU H 4.220 . 6.450 4.007 3.931 4.180 . 0 0 "[ . 1 . 2]" 1
423 1 21 THR HB 1 32 VAL MG1 3.270 . 4.610 4.271 3.692 4.560 . 0 0 "[ . 1 . 2]" 1
424 1 21 THR HB 1 33 PHE HZ 2.800 . 3.780 2.751 2.344 3.134 . 0 0 "[ . 1 . 2]" 1
425 1 21 THR MG 1 22 GLU H 3.440 . 4.920 3.243 3.078 3.551 . 0 0 "[ . 1 . 2]" 1
426 1 21 THR MG 1 22 GLU HA 3.620 . 5.260 3.738 3.545 3.939 . 0 0 "[ . 1 . 2]" 1
427 1 21 THR MG 1 23 ALA H 3.350 . 4.750 3.943 3.391 4.387 . 0 0 "[ . 1 . 2]" 1
428 1 21 THR MG 1 23 ALA MB 2.670 . 3.560 2.836 2.490 3.084 . 0 0 "[ . 1 . 2]" 1
429 1 21 THR MG 1 29 ALA HA 2.690 . 3.590 3.344 2.972 3.607 0.017 5 0 "[ . 1 . 2]" 1
430 1 21 THR MG 1 32 VAL H 4.160 . 6.330 5.350 4.959 5.579 . 0 0 "[ . 1 . 2]" 1
431 1 21 THR MG 1 32 VAL HB 2.870 . 3.900 3.497 3.067 3.800 . 0 0 "[ . 1 . 2]" 1
432 1 21 THR MG 1 33 PHE H 3.830 . 5.660 4.467 4.063 4.767 . 0 0 "[ . 1 . 2]" 1
433 1 21 THR MG 1 33 PHE HZ 2.520 . 3.320 2.580 2.377 3.108 . 0 0 "[ . 1 . 2]" 1
434 1 22 GLU H 1 22 GLU HB2 2.920 . 3.990 3.230 2.413 3.694 . 0 0 "[ . 1 . 2]" 1
435 1 22 GLU HA 1 22 GLU HB2 2.720 . 3.640 2.725 2.440 3.034 . 0 0 "[ . 1 . 2]" 1
436 1 22 GLU HA 1 22 GLU HB3 2.850 . 3.870 2.448 2.292 2.524 . 0 0 "[ . 1 . 2]" 1
437 1 22 GLU HA 1 22 GLU HG2 3.480 . 4.990 3.530 2.720 4.292 . 0 0 "[ . 1 . 2]" 1
438 1 22 GLU HA 1 22 GLU HG3 3.600 . 5.220 3.573 2.739 4.276 . 0 0 "[ . 1 . 2]" 1
439 1 22 GLU HA 1 23 ALA H 2.200 . 2.810 2.193 2.158 2.237 . 0 0 "[ . 1 . 2]" 1
440 1 22 GLU HA 1 23 ALA MB 4.180 . 6.360 4.024 3.895 4.205 . 0 0 "[ . 1 . 2]" 1
441 1 22 GLU HB2 1 23 ALA H 3.380 . 4.810 3.677 2.932 4.480 . 0 0 "[ . 1 . 2]" 1
442 1 23 ALA H 1 23 ALA HA 2.820 . 3.810 2.947 2.919 2.975 . 0 0 "[ . 1 . 2]" 1
443 1 23 ALA H 1 23 ALA MB 2.800 . 3.780 2.646 2.493 2.744 . 0 0 "[ . 1 . 2]" 1
444 1 23 ALA HA 1 23 ALA MB 2.310 . 2.980 2.142 2.138 2.147 . 0 0 "[ . 1 . 2]" 1
445 1 23 ALA HA 1 24 VAL H 2.540 . 3.350 2.391 2.314 2.460 . 0 0 "[ . 1 . 2]" 1
446 1 23 ALA MB 1 24 VAL H 2.790 . 3.770 2.614 2.514 2.816 . 0 0 "[ . 1 . 2]" 1
447 1 23 ALA MB 1 25 ASP H 2.560 . 3.380 2.502 2.418 3.141 . 0 0 "[ . 1 . 2]" 1
448 1 23 ALA MB 1 28 THR HB 2.630 . 3.500 2.682 2.508 2.941 . 0 0 "[ . 1 . 2]" 1
449 1 23 ALA MB 1 29 ALA H 2.720 . 3.640 3.544 3.243 3.645 0.005 13 0 "[ . 1 . 2]" 1
450 1 23 ALA MB 1 29 ALA HA 2.720 . 3.640 2.957 2.658 3.201 . 0 0 "[ . 1 . 2]" 1
451 1 23 ALA MB 1 29 ALA MB 2.280 . 2.930 2.376 2.165 2.608 . 0 0 "[ . 1 . 2]" 1
452 1 24 VAL H 1 24 VAL HA 2.920 . 3.980 2.920 2.858 2.937 . 0 0 "[ . 1 . 2]" 1
453 1 24 VAL H 1 24 VAL HB 3.190 . 4.460 3.558 2.755 3.713 . 0 0 "[ . 1 . 2]" 1
454 1 24 VAL H 1 24 VAL QG 2.690 . 3.440 1.862 1.759 1.937 0.021 16 0 "[ . 1 . 2]" 1
455 1 24 VAL H 1 25 ASP H 2.710 . 3.630 2.417 2.359 2.496 . 0 0 "[ . 1 . 2]" 1
456 1 24 VAL HA 1 24 VAL HB 2.430 . 3.170 2.471 2.334 2.525 . 0 0 "[ . 1 . 2]" 1
457 1 24 VAL HA 1 24 VAL QG 2.540 . 3.340 2.278 2.228 2.429 . 0 0 "[ . 1 . 2]" 1
458 1 24 VAL HA 1 25 ASP H 3.360 . 4.770 3.250 3.131 3.578 . 0 0 "[ . 1 . 2]" 1
459 1 24 VAL HB 1 25 ASP H 3.720 . 5.450 4.306 4.082 4.433 . 0 0 "[ . 1 . 2]" 1
460 1 24 VAL QG 1 25 ASP H 3.430 . 4.550 2.973 1.949 3.200 0.011 19 0 "[ . 1 . 2]" 1
461 1 24 VAL QG 1 28 THR H 4.720 . 6.500 5.371 4.928 5.699 . 0 0 "[ . 1 . 2]" 1
462 1 24 VAL QG 1 28 THR HB 3.640 . 5.300 3.993 3.723 4.431 . 0 0 "[ . 1 . 2]" 1
463 1 24 VAL QG 1 29 ALA H 4.610 . 6.500 6.037 5.606 6.239 . 0 0 "[ . 1 . 2]" 1
464 1 25 ASP H 1 25 ASP HA 2.940 . 4.020 2.889 2.835 2.945 . 0 0 "[ . 1 . 2]" 1
465 1 25 ASP H 1 25 ASP QB 3.260 . 4.590 2.802 2.628 2.903 . 0 0 "[ . 1 . 2]" 1
466 1 25 ASP H 1 26 ALA H 4.550 . 6.500 4.357 4.279 4.531 . 0 0 "[ . 1 . 2]" 1
467 1 25 ASP H 1 28 THR H 3.890 . 5.790 4.472 4.172 4.844 . 0 0 "[ . 1 . 2]" 1
468 1 25 ASP H 1 28 THR HB 2.710 . 3.630 3.137 2.957 3.384 . 0 0 "[ . 1 . 2]" 1
469 1 25 ASP H 1 29 ALA MB 3.470 . 4.980 4.323 3.871 4.728 . 0 0 "[ . 1 . 2]" 1
470 1 25 ASP HA 1 25 ASP QB 2.300 . 2.960 2.367 2.283 2.519 . 0 0 "[ . 1 . 2]" 1
471 1 25 ASP HA 1 26 ALA H 2.430 . 3.170 2.355 2.250 2.491 . 0 0 "[ . 1 . 2]" 1
472 1 25 ASP HA 1 26 ALA MB 3.930 . 5.860 4.048 4.001 4.097 . 0 0 "[ . 1 . 2]" 1
473 1 25 ASP QB 1 26 ALA H 2.510 . 3.300 3.011 2.483 3.332 0.032 11 0 "[ . 1 . 2]" 1
474 1 25 ASP QB 1 26 ALA MB 3.720 . 5.450 4.396 3.924 4.740 . 0 0 "[ . 1 . 2]" 1
475 1 25 ASP QB 1 27 ALA H 3.080 . 4.270 3.292 2.668 3.849 . 0 0 "[ . 1 . 2]" 1
476 1 25 ASP HB2 1 28 THR H 4.240 . 6.490 3.550 2.084 4.411 . 0 0 "[ . 1 . 2]" 1
477 1 26 ALA H 1 26 ALA HA 2.910 . 3.970 2.868 2.806 2.901 . 0 0 "[ . 1 . 2]" 1
478 1 26 ALA H 1 26 ALA MB 2.290 . 2.950 2.258 2.220 2.296 . 0 0 "[ . 1 . 2]" 1
479 1 26 ALA HA 1 26 ALA MB 2.270 . 2.910 2.135 2.128 2.142 . 0 0 "[ . 1 . 2]" 1
480 1 26 ALA HA 1 27 ALA H 4.150 . 6.310 3.539 3.503 3.576 . 0 0 "[ . 1 . 2]" 1
481 1 26 ALA HA 1 29 ALA H 3.240 . 4.550 3.455 3.178 3.722 . 0 0 "[ . 1 . 2]" 1
482 1 26 ALA HA 1 29 ALA MB 2.630 . 3.490 2.839 2.542 3.371 . 0 0 "[ . 1 . 2]" 1
483 1 27 ALA H 1 27 ALA HA 2.710 . 3.630 2.837 2.785 2.890 . 0 0 "[ . 1 . 2]" 1
484 1 27 ALA H 1 27 ALA MB 2.160 . 2.750 2.247 2.228 2.271 . 0 0 "[ . 1 . 2]" 1
485 1 27 ALA H 1 29 ALA H 4.140 . 6.290 3.978 3.780 4.268 . 0 0 "[ . 1 . 2]" 1
486 1 27 ALA HA 1 27 ALA MB 2.190 . 2.790 2.130 2.126 2.134 . 0 0 "[ . 1 . 2]" 1
487 1 27 ALA HA 1 30 GLU H 3.310 . 4.680 3.420 3.234 3.650 . 0 0 "[ . 1 . 2]" 1
488 1 27 ALA HA 1 30 GLU HB2 2.920 . 3.990 3.020 2.858 3.521 . 0 0 "[ . 1 . 2]" 1
489 1 27 ALA HA 1 30 GLU HB3 3.090 . 4.280 3.328 2.986 3.965 . 0 0 "[ . 1 . 2]" 1
490 1 27 ALA HA 1 31 LYS H 3.810 . 5.620 4.266 3.951 4.730 . 0 0 "[ . 1 . 2]" 1
491 1 27 ALA MB 1 28 THR H 2.620 . 3.480 2.649 2.515 2.864 . 0 0 "[ . 1 . 2]" 1
492 1 27 ALA MB 1 30 GLU H 3.970 . 5.940 4.588 4.441 4.783 . 0 0 "[ . 1 . 2]" 1
493 1 28 THR H 1 28 THR HA 2.910 . 3.970 2.836 2.818 2.859 . 0 0 "[ . 1 . 2]" 1
494 1 28 THR H 1 28 THR HB 2.580 . 3.410 2.701 2.656 2.759 . 0 0 "[ . 1 . 2]" 1
495 1 28 THR H 1 29 ALA H 2.590 . 3.430 2.584 2.471 2.671 . 0 0 "[ . 1 . 2]" 1
496 1 28 THR H 1 29 ALA MB 4.730 . 6.500 4.282 4.165 4.372 . 0 0 "[ . 1 . 2]" 1
497 1 28 THR HA 1 28 THR HB 2.930 . 4.000 3.026 3.011 3.041 . 0 0 "[ . 1 . 2]" 1
498 1 28 THR HA 1 28 THR MG 2.400 . 3.120 2.300 2.262 2.344 . 0 0 "[ . 1 . 2]" 1
499 1 28 THR HA 1 29 ALA H 3.380 . 4.810 3.485 3.454 3.517 . 0 0 "[ . 1 . 2]" 1
500 1 28 THR HA 1 29 ALA MB 4.980 . 6.500 5.011 4.996 5.036 . 0 0 "[ . 1 . 2]" 1
501 1 28 THR HA 1 30 GLU H 4.500 . 6.500 4.322 4.148 4.483 . 0 0 "[ . 1 . 2]" 1
502 1 28 THR HA 1 31 LYS H 3.100 . 4.300 3.634 3.417 3.852 . 0 0 "[ . 1 . 2]" 1
503 1 28 THR HA 1 31 LYS HB2 2.580 . 3.410 3.018 2.629 3.443 0.033 6 0 "[ . 1 . 2]" 1
504 1 28 THR HA 1 31 LYS HG2 3.130 . 4.360 3.444 2.730 4.679 0.319 12 0 "[ . 1 . 2]" 1
505 1 28 THR HA 1 32 VAL H 4.190 . 6.380 4.318 3.890 4.777 . 0 0 "[ . 1 . 2]" 1
506 1 28 THR HB 1 28 THR MG 2.340 . 3.020 2.145 2.140 2.149 . 0 0 "[ . 1 . 2]" 1
507 1 28 THR HB 1 29 ALA H 2.700 . 3.610 2.975 2.857 3.067 . 0 0 "[ . 1 . 2]" 1
508 1 28 THR MG 1 32 VAL H 4.110 . 6.230 4.263 3.864 4.692 . 0 0 "[ . 1 . 2]" 1
509 1 29 ALA H 1 29 ALA HA 2.860 . 3.880 2.879 2.863 2.899 . 0 0 "[ . 1 . 2]" 1
510 1 29 ALA H 1 29 ALA MB 2.320 . 3.000 2.261 2.239 2.279 . 0 0 "[ . 1 . 2]" 1
511 1 29 ALA H 1 30 GLU H 2.540 . 3.350 2.354 2.289 2.484 . 0 0 "[ . 1 . 2]" 1
512 1 29 ALA H 1 30 GLU HA 5.150 . 6.500 5.016 4.947 5.132 . 0 0 "[ . 1 . 2]" 1
513 1 29 ALA H 1 30 GLU HB2 4.870 . 6.500 4.379 4.352 4.447 . 0 0 "[ . 1 . 2]" 1
514 1 29 ALA H 1 30 GLU HB3 5.120 . 6.500 4.778 4.462 5.131 . 0 0 "[ . 1 . 2]" 1
515 1 29 ALA H 1 30 GLU HG3 5.330 . 6.500 6.527 6.509 6.542 0.042 2 0 "[ . 1 . 2]" 1
516 1 29 ALA HA 1 29 ALA MB 2.230 . 2.850 2.133 2.127 2.137 . 0 0 "[ . 1 . 2]" 1
517 1 29 ALA HA 1 30 GLU H 3.680 . 5.370 3.496 3.464 3.524 . 0 0 "[ . 1 . 2]" 1
518 1 29 ALA HA 1 31 LYS H 4.320 . 6.500 4.785 4.508 4.931 . 0 0 "[ . 1 . 2]" 1
519 1 29 ALA HA 1 32 VAL H 3.250 . 4.570 3.713 3.563 3.863 . 0 0 "[ . 1 . 2]" 1
520 1 29 ALA HA 1 32 VAL HB 2.650 . 3.530 3.259 3.022 3.538 0.008 17 0 "[ . 1 . 2]" 1
521 1 29 ALA HA 1 32 VAL MG2 3.250 . 4.570 3.488 3.094 3.844 . 0 0 "[ . 1 . 2]" 1
522 1 29 ALA HA 1 33 PHE H 3.770 . 5.540 4.086 3.858 4.467 . 0 0 "[ . 1 . 2]" 1
523 1 29 ALA MB 1 30 GLU H 2.750 . 3.700 2.573 2.490 2.682 . 0 0 "[ . 1 . 2]" 1
524 1 29 ALA MB 1 31 LYS H 4.670 . 6.500 4.795 4.661 4.940 . 0 0 "[ . 1 . 2]" 1
525 1 29 ALA MB 1 55 TYR QE 3.250 . 4.570 2.701 2.232 3.248 . 0 0 "[ . 1 . 2]" 1
526 1 30 GLU H 1 30 GLU HA 2.720 . 3.650 2.798 2.741 2.829 . 0 0 "[ . 1 . 2]" 1
527 1 30 GLU H 1 30 GLU HB2 2.240 . 2.870 2.265 2.179 2.328 . 0 0 "[ . 1 . 2]" 1
528 1 30 GLU H 1 30 GLU HB3 2.950 . 4.040 2.766 2.673 2.932 . 0 0 "[ . 1 . 2]" 1
529 1 30 GLU H 1 30 GLU QG 4.040 . 6.080 3.867 3.801 3.898 . 0 0 "[ . 1 . 2]" 1
530 1 30 GLU H 1 30 GLU HG3 3.470 . 4.970 4.238 4.097 4.323 . 0 0 "[ . 1 . 2]" 1
531 1 30 GLU H 1 31 LYS H 2.690 . 3.600 2.806 2.696 2.970 . 0 0 "[ . 1 . 2]" 1
532 1 30 GLU HA 1 30 GLU HB2 2.570 . 3.390 2.617 2.550 2.702 . 0 0 "[ . 1 . 2]" 1
533 1 30 GLU HA 1 30 GLU QG 2.440 . 3.180 2.368 2.316 2.453 . 0 0 "[ . 1 . 2]" 1
534 1 30 GLU HA 1 31 LYS H 3.530 . 5.090 3.548 3.520 3.562 . 0 0 "[ . 1 . 2]" 1
535 1 30 GLU HA 1 33 PHE H 3.510 . 5.050 3.875 3.747 3.951 . 0 0 "[ . 1 . 2]" 1
536 1 30 GLU HA 1 33 PHE HB3 4.230 . 6.460 4.569 4.412 4.844 . 0 0 "[ . 1 . 2]" 1
537 1 30 GLU HA 1 34 LYS H 3.790 . 5.590 4.216 3.971 4.519 . 0 0 "[ . 1 . 2]" 1
538 1 30 GLU HA 1 34 LYS HG3 3.180 . 4.450 3.547 3.153 4.116 . 0 0 "[ . 1 . 2]" 1
539 1 30 GLU HA 1 55 TYR QE 3.540 . 5.110 4.248 3.726 4.715 . 0 0 "[ . 1 . 2]" 1
540 1 30 GLU HB2 1 30 GLU HG2 2.490 . 3.260 3.002 2.981 3.017 . 0 0 "[ . 1 . 2]" 1
541 1 30 GLU HB2 1 30 GLU QG 2.360 . 3.060 2.268 2.217 2.315 . 0 0 "[ . 1 . 2]" 1
542 1 30 GLU HB2 1 31 LYS H 3.280 . 4.630 3.392 3.298 3.566 . 0 0 "[ . 1 . 2]" 1
543 1 30 GLU HB2 1 46 TRP HZ3 4.220 . 6.450 4.132 3.910 4.481 . 0 0 "[ . 1 . 2]" 1
544 1 30 GLU HB3 1 30 GLU QG 2.240 . 2.870 2.408 2.362 2.455 . 0 0 "[ . 1 . 2]" 1
545 1 30 GLU HB3 1 31 LYS H 1.950 . 2.430 2.104 1.865 2.334 . 0 0 "[ . 1 . 2]" 1
546 1 30 GLU HB3 1 46 TRP HZ3 5.040 . 6.500 4.858 4.806 4.906 . 0 0 "[ . 1 . 2]" 1
547 1 30 GLU QG 1 31 LYS H 4.210 . 6.430 3.714 3.441 4.001 . 0 0 "[ . 1 . 2]" 1
548 1 30 GLU QG 1 46 TRP HZ3 3.070 . 4.250 2.672 2.458 2.948 . 0 0 "[ . 1 . 2]" 1
549 1 30 GLU QG 1 55 TYR QD 3.880 . 5.760 3.725 3.070 4.232 . 0 0 "[ . 1 . 2]" 1
550 1 30 GLU HG2 1 34 LYS HD3 3.650 . 5.320 3.474 1.982 4.745 . 0 0 "[ . 1 . 2]" 1
551 1 30 GLU HG2 1 34 LYS HG2 3.230 . 4.530 3.245 2.780 4.061 . 0 0 "[ . 1 . 2]" 1
552 1 30 GLU HG2 1 34 LYS HG3 2.850 . 3.860 2.452 2.092 2.962 . 0 0 "[ . 1 . 2]" 1
553 1 31 LYS H 1 31 LYS HA 2.430 . 3.170 2.725 2.688 2.805 . 0 0 "[ . 1 . 2]" 1
554 1 31 LYS H 1 31 LYS HB2 2.320 . 2.990 2.601 2.415 2.750 . 0 0 "[ . 1 . 2]" 1
555 1 31 LYS H 1 31 LYS HG2 2.290 . 2.940 2.219 1.867 3.438 0.498 12 0 "[ . 1 . 2]" 1
556 1 31 LYS H 1 31 LYS HG3 3.930 . 5.860 3.443 2.076 3.774 . 0 0 "[ . 1 . 2]" 1
557 1 31 LYS H 1 32 VAL H 2.520 . 3.310 2.967 2.720 3.059 . 0 0 "[ . 1 . 2]" 1
558 1 31 LYS H 1 32 VAL MG2 4.430 . 6.500 4.388 4.155 4.538 . 0 0 "[ . 1 . 2]" 1
559 1 31 LYS H 1 33 PHE H 4.220 . 6.450 4.553 4.342 4.684 . 0 0 "[ . 1 . 2]" 1
560 1 31 LYS H 1 34 LYS H 4.610 . 6.500 4.792 4.712 4.896 . 0 0 "[ . 1 . 2]" 1
561 1 31 LYS H 1 34 LYS HD3 3.650 . 5.310 5.195 4.520 5.741 0.431 16 0 "[ . 1 . 2]" 1
562 1 31 LYS HA 1 31 LYS QB 2.230 . 2.850 2.356 2.298 2.411 . 0 0 "[ . 1 . 2]" 1
563 1 31 LYS HA 1 31 LYS HG2 2.610 . 3.460 3.101 2.656 3.383 . 0 0 "[ . 1 . 2]" 1
564 1 31 LYS HA 1 31 LYS HG3 3.410 . 4.860 3.642 2.912 3.819 . 0 0 "[ . 1 . 2]" 1
565 1 31 LYS HA 1 32 VAL H 3.230 . 4.530 3.560 3.537 3.579 . 0 0 "[ . 1 . 2]" 1
566 1 31 LYS HA 1 34 LYS H 3.470 . 4.980 3.712 3.487 3.887 . 0 0 "[ . 1 . 2]" 1
567 1 31 LYS HA 1 34 LYS HB2 2.710 . 3.630 2.852 2.800 2.920 . 0 0 "[ . 1 . 2]" 1
568 1 31 LYS HA 1 34 LYS HB3 3.800 . 5.600 4.300 4.184 4.357 . 0 0 "[ . 1 . 2]" 1
569 1 31 LYS HA 1 34 LYS HD2 4.460 . 6.500 4.331 3.653 5.030 . 0 0 "[ . 1 . 2]" 1
570 1 31 LYS HA 1 34 LYS HD3 3.640 . 5.300 3.393 3.245 3.825 . 0 0 "[ . 1 . 2]" 1
571 1 31 LYS HA 1 34 LYS HG2 4.190 . 6.380 4.709 4.020 5.556 . 0 0 "[ . 1 . 2]" 1
572 1 31 LYS QB 1 31 LYS QD 2.500 . 3.280 2.497 2.052 2.884 . 0 0 "[ . 1 . 2]" 1
573 1 31 LYS QB 1 31 LYS HG2 2.370 . 3.070 2.315 2.267 2.389 . 0 0 "[ . 1 . 2]" 1
574 1 31 LYS HB2 1 31 LYS HG2 2.450 . 3.200 2.467 2.357 2.975 . 0 0 "[ . 1 . 2]" 1
575 1 31 LYS HB2 1 31 LYS HG3 2.290 . 2.940 2.458 2.358 2.528 . 0 0 "[ . 1 . 2]" 1
576 1 31 LYS HB2 1 32 VAL H 2.600 . 3.440 2.675 2.622 2.736 . 0 0 "[ . 1 . 2]" 1
577 1 31 LYS QD 1 31 LYS HE3 2.310 . 2.980 2.305 2.166 2.403 . 0 0 "[ . 1 . 2]" 1
578 1 31 LYS HE3 1 31 LYS HG3 2.750 . 3.690 3.121 2.424 3.786 0.096 3 0 "[ . 1 . 2]" 1
579 1 31 LYS HG2 1 32 VAL H 4.130 . 6.260 4.406 4.036 5.094 . 0 0 "[ . 1 . 2]" 1
580 1 31 LYS HG3 1 32 VAL H 4.740 . 6.500 4.955 4.347 5.134 . 0 0 "[ . 1 . 2]" 1
581 1 32 VAL H 1 32 VAL HA 2.660 . 3.540 2.858 2.833 2.877 . 0 0 "[ . 1 . 2]" 1
582 1 32 VAL H 1 32 VAL HB 2.230 . 2.850 2.513 2.451 2.550 . 0 0 "[ . 1 . 2]" 1
583 1 32 VAL H 1 32 VAL MG1 3.050 . 4.210 3.779 3.758 3.789 . 0 0 "[ . 1 . 2]" 1
584 1 32 VAL H 1 32 VAL MG2 2.890 . 3.940 2.179 2.086 2.247 . 0 0 "[ . 1 . 2]" 1
585 1 32 VAL H 1 33 PHE H 2.510 . 3.300 2.620 2.548 2.685 . 0 0 "[ . 1 . 2]" 1
586 1 32 VAL H 1 34 LYS H 3.820 . 5.640 3.831 3.748 3.920 . 0 0 "[ . 1 . 2]" 1
587 1 32 VAL HA 1 32 VAL HB 2.840 . 3.850 3.026 3.018 3.035 . 0 0 "[ . 1 . 2]" 1
588 1 32 VAL HA 1 32 VAL MG1 2.370 . 3.070 2.418 2.369 2.472 . 0 0 "[ . 1 . 2]" 1
589 1 32 VAL HA 1 32 VAL MG2 2.210 . 2.820 2.377 2.324 2.421 . 0 0 "[ . 1 . 2]" 1
590 1 32 VAL HA 1 33 PHE H 3.590 . 5.200 3.558 3.539 3.576 . 0 0 "[ . 1 . 2]" 1
591 1 32 VAL HA 1 34 LYS H 4.180 . 6.360 4.093 3.964 4.270 . 0 0 "[ . 1 . 2]" 1
592 1 32 VAL HA 1 35 GLN H 3.130 . 4.350 3.714 3.592 3.805 . 0 0 "[ . 1 . 2]" 1
593 1 32 VAL HA 1 35 GLN HB2 3.040 . 4.190 4.052 3.288 4.217 0.027 17 0 "[ . 1 . 2]" 1
594 1 32 VAL HA 1 35 GLN HB3 2.710 . 3.630 3.532 3.157 4.139 0.509 19 1 "[ . 1 . +2]" 1
595 1 32 VAL HA 1 36 TYR H 3.650 . 5.310 4.496 4.278 4.664 . 0 0 "[ . 1 . 2]" 1
596 1 32 VAL HB 1 32 VAL MG2 2.110 . 2.670 2.128 2.124 2.133 . 0 0 "[ . 1 . 2]" 1
597 1 32 VAL HB 1 33 PHE H 2.310 . 2.980 2.492 2.292 2.619 . 0 0 "[ . 1 . 2]" 1
598 1 32 VAL MG1 1 33 PHE H 3.880 . 5.770 3.317 3.104 3.423 . 0 0 "[ . 1 . 2]" 1
599 1 32 VAL MG1 1 36 TYR H 4.410 . 6.500 4.240 4.072 4.385 . 0 0 "[ . 1 . 2]" 1
600 1 32 VAL MG1 1 36 TYR HB2 4.170 . 6.350 3.630 3.419 3.831 . 0 0 "[ . 1 . 2]" 1
601 1 32 VAL MG2 1 33 PHE H 3.460 . 4.960 3.794 3.725 3.908 . 0 0 "[ . 1 . 2]" 1
602 1 33 PHE H 1 33 PHE HB2 2.280 . 2.930 2.253 2.205 2.330 . 0 0 "[ . 1 . 2]" 1
603 1 33 PHE H 1 33 PHE HB3 3.760 . 5.530 3.530 3.483 3.571 . 0 0 "[ . 1 . 2]" 1
604 1 33 PHE H 1 34 LYS H 2.550 . 3.360 2.624 2.557 2.742 . 0 0 "[ . 1 . 2]" 1
605 1 33 PHE H 1 46 TRP HH2 3.660 . 5.330 4.192 4.034 4.412 . 0 0 "[ . 1 . 2]" 1
606 1 33 PHE HA 1 33 PHE HB3 2.830 . 3.830 2.649 2.558 2.709 . 0 0 "[ . 1 . 2]" 1
607 1 33 PHE HA 1 36 TYR HB2 2.160 . 2.740 2.815 2.807 2.826 0.086 11 0 "[ . 1 . 2]" 1
608 1 33 PHE HA 1 36 TYR QE 4.140 . 6.280 5.204 4.905 5.562 . 0 0 "[ . 1 . 2]" 1
609 1 33 PHE HB2 1 34 LYS H 3.040 . 4.200 3.273 3.183 3.396 . 0 0 "[ . 1 . 2]" 1
610 1 33 PHE HB2 1 46 TRP HH2 2.630 . 3.500 2.592 2.496 2.872 . 0 0 "[ . 1 . 2]" 1
611 1 33 PHE HB2 1 46 TRP HZ3 3.360 . 4.770 3.492 3.047 3.833 . 0 0 "[ . 1 . 2]" 1
612 1 33 PHE HB3 1 34 LYS H 3.780 . 5.560 3.745 3.595 3.960 . 0 0 "[ . 1 . 2]" 1
613 1 33 PHE HB3 1 46 TRP HH2 2.580 . 3.410 2.402 1.909 2.794 . 0 0 "[ . 1 . 2]" 1
614 1 33 PHE HB3 1 46 TRP HZ3 3.620 . 5.260 4.032 3.676 4.263 . 0 0 "[ . 1 . 2]" 1
615 1 34 LYS H 1 34 LYS HA 2.600 . 3.450 2.837 2.814 2.876 . 0 0 "[ . 1 . 2]" 1
616 1 34 LYS H 1 34 LYS HB2 2.190 . 2.790 2.360 2.175 2.526 . 0 0 "[ . 1 . 2]" 1
617 1 34 LYS H 1 34 LYS HB3 3.630 . 5.280 3.564 3.481 3.608 . 0 0 "[ . 1 . 2]" 1
618 1 34 LYS H 1 34 LYS HD2 5.260 . 6.500 4.965 4.818 5.184 . 0 0 "[ . 1 . 2]" 1
619 1 34 LYS H 1 34 LYS HD3 5.250 . 6.500 4.538 3.950 4.782 . 0 0 "[ . 1 . 2]" 1
620 1 34 LYS H 1 34 LYS HG2 3.270 . 4.600 3.336 2.820 4.136 . 0 0 "[ . 1 . 2]" 1
621 1 34 LYS H 1 34 LYS HG3 2.940 . 4.020 2.697 2.621 2.972 . 0 0 "[ . 1 . 2]" 1
622 1 34 LYS H 1 35 GLN H 2.460 . 3.210 2.551 2.381 2.695 . 0 0 "[ . 1 . 2]" 1
623 1 34 LYS HA 1 34 LYS HB2 2.990 . 4.100 3.012 2.961 3.041 . 0 0 "[ . 1 . 2]" 1
624 1 34 LYS HA 1 34 LYS HB3 2.410 . 3.140 2.569 2.500 2.683 . 0 0 "[ . 1 . 2]" 1
625 1 34 LYS HA 1 34 LYS HD2 4.060 . 6.120 4.654 4.446 4.748 . 0 0 "[ . 1 . 2]" 1
626 1 34 LYS HA 1 34 LYS HD3 4.350 . 6.500 4.469 4.200 4.685 . 0 0 "[ . 1 . 2]" 1
627 1 34 LYS HA 1 34 LYS HG3 3.120 . 4.340 3.279 2.565 3.623 . 0 0 "[ . 1 . 2]" 1
628 1 34 LYS HA 1 35 GLN H 3.280 . 4.620 3.525 3.486 3.550 . 0 0 "[ . 1 . 2]" 1
629 1 34 LYS HA 1 37 ALA MB 2.570 . 3.400 2.761 2.511 2.967 . 0 0 "[ . 1 . 2]" 1
630 1 34 LYS HA 1 46 TRP HH2 2.880 . 3.920 3.232 2.888 3.688 . 0 0 "[ . 1 . 2]" 1
631 1 34 LYS HA 1 46 TRP HZ2 2.480 . 3.250 2.394 2.278 2.596 . 0 0 "[ . 1 . 2]" 1
632 1 34 LYS HB2 1 34 LYS HG2 2.840 . 3.850 2.961 2.871 3.010 . 0 0 "[ . 1 . 2]" 1
633 1 34 LYS HB2 1 34 LYS HG3 2.360 . 3.060 2.293 2.195 2.506 . 0 0 "[ . 1 . 2]" 1
634 1 34 LYS HB2 1 35 GLN H 2.600 . 3.450 2.646 2.525 3.046 . 0 0 "[ . 1 . 2]" 1
635 1 34 LYS HB3 1 34 LYS HD2 3.290 . 4.640 3.557 3.347 3.800 . 0 0 "[ . 1 . 2]" 1
636 1 34 LYS HB3 1 34 LYS HD3 2.450 . 3.200 2.578 2.139 3.224 0.024 10 0 "[ . 1 . 2]" 1
637 1 34 LYS HB3 1 34 LYS HG2 2.360 . 3.060 2.615 2.392 2.735 . 0 0 "[ . 1 . 2]" 1
638 1 34 LYS HB3 1 34 LYS HG3 2.950 . 4.040 2.947 2.827 3.001 . 0 0 "[ . 1 . 2]" 1
639 1 34 LYS HB3 1 35 GLN H 3.190 . 4.460 3.523 3.347 3.671 . 0 0 "[ . 1 . 2]" 1
640 1 34 LYS HD2 1 34 LYS HE3 2.640 . 3.510 2.576 2.418 3.024 . 0 0 "[ . 1 . 2]" 1
641 1 34 LYS HD2 1 34 LYS HG2 2.400 . 3.120 2.517 2.445 2.589 . 0 0 "[ . 1 . 2]" 1
642 1 34 LYS HD2 1 34 LYS HG3 2.780 . 3.750 2.387 2.300 2.477 . 0 0 "[ . 1 . 2]" 1
643 1 34 LYS HD2 1 46 TRP HE1 4.650 . 6.500 5.167 4.511 5.940 . 0 0 "[ . 1 . 2]" 1
644 1 34 LYS HD2 1 46 TRP HZ2 4.440 . 6.500 4.634 4.410 5.194 . 0 0 "[ . 1 . 2]" 1
645 1 34 LYS HD3 1 34 LYS HE2 2.710 . 3.630 2.422 2.286 2.484 . 0 0 "[ . 1 . 2]" 1
646 1 34 LYS HD3 1 34 LYS HE3 2.910 . 3.970 2.906 2.420 3.021 . 0 0 "[ . 1 . 2]" 1
647 1 34 LYS HD3 1 46 TRP HZ2 3.560 . 5.150 5.249 5.098 5.576 0.426 17 0 "[ . 1 . 2]" 1
648 1 34 LYS HE2 1 34 LYS HG2 2.960 . 4.060 3.130 2.849 3.709 . 0 0 "[ . 1 . 2]" 1
649 1 34 LYS HE2 1 34 LYS HG3 4.110 . 6.220 3.847 3.704 4.257 . 0 0 "[ . 1 . 2]" 1
650 1 34 LYS HE2 1 35 GLN H 4.970 . 6.500 5.698 5.266 6.974 0.474 14 0 "[ . 1 . 2]" 1
651 1 34 LYS HE3 1 34 LYS HG3 3.460 . 4.950 3.657 3.587 3.771 . 0 0 "[ . 1 . 2]" 1
652 1 34 LYS HE3 1 46 TRP HD1 3.740 . 5.480 5.033 4.147 6.306 0.826 14 2 "[ . - 1 +. 2]" 1
653 1 34 LYS HE3 1 46 TRP HE1 3.670 . 5.350 3.692 2.767 5.161 . 0 0 "[ . 1 . 2]" 1
654 1 34 LYS HG2 1 35 GLN H 4.570 . 6.500 4.850 4.566 5.219 . 0 0 "[ . 1 . 2]" 1
655 1 34 LYS HG3 1 35 GLN H 5.230 . 6.500 4.478 4.265 4.821 . 0 0 "[ . 1 . 2]" 1
656 1 35 GLN H 1 35 GLN HA 2.610 . 3.460 2.832 2.805 2.858 . 0 0 "[ . 1 . 2]" 1
657 1 35 GLN H 1 35 GLN HB2 2.280 . 2.930 2.475 2.059 2.738 . 0 0 "[ . 1 . 2]" 1
658 1 35 GLN H 1 35 GLN HB3 2.190 . 2.790 2.578 2.311 2.943 0.153 9 0 "[ . 1 . 2]" 1
659 1 35 GLN H 1 35 GLN HG2 3.760 . 5.520 4.530 4.007 4.666 . 0 0 "[ . 1 . 2]" 1
660 1 35 GLN H 1 35 GLN HG3 3.800 . 5.610 4.505 4.404 4.611 . 0 0 "[ . 1 . 2]" 1
661 1 35 GLN H 1 36 TYR H 2.410 . 3.140 2.455 2.325 2.565 . 0 0 "[ . 1 . 2]" 1
662 1 35 GLN H 1 36 TYR HB2 4.440 . 6.500 5.000 4.880 5.121 . 0 0 "[ . 1 . 2]" 1
663 1 35 GLN H 1 37 ALA H 3.910 . 5.820 4.232 4.099 4.333 . 0 0 "[ . 1 . 2]" 1
664 1 35 GLN H 1 38 ASN HB2 4.610 . 6.500 4.909 4.704 4.984 . 0 0 "[ . 1 . 2]" 1
665 1 35 GLN H 1 38 ASN HB3 4.920 . 6.500 4.867 4.695 4.950 . 0 0 "[ . 1 . 2]" 1
666 1 35 GLN HA 1 35 GLN HB2 2.460 . 3.220 2.524 2.389 2.750 . 0 0 "[ . 1 . 2]" 1
667 1 35 GLN HA 1 35 GLN HB3 2.440 . 3.180 3.030 2.971 3.054 . 0 0 "[ . 1 . 2]" 1
668 1 35 GLN HA 1 35 GLN HG3 2.750 . 3.700 3.275 2.841 3.824 0.124 10 0 "[ . 1 . 2]" 1
669 1 35 GLN HA 1 36 TYR H 2.990 . 4.110 3.470 3.435 3.492 . 0 0 "[ . 1 . 2]" 1
670 1 35 GLN HA 1 38 ASN H 3.280 . 4.620 3.408 3.146 3.550 . 0 0 "[ . 1 . 2]" 1
671 1 35 GLN HA 1 38 ASN HB2 2.680 . 3.580 2.940 2.584 3.316 . 0 0 "[ . 1 . 2]" 1
672 1 35 GLN HA 1 38 ASN HB3 2.280 . 2.930 2.336 2.118 2.495 . 0 0 "[ . 1 . 2]" 1
673 1 35 GLN HA 1 38 ASN HD21 4.860 . 6.500 4.336 3.785 5.182 . 0 0 "[ . 1 . 2]" 1
674 1 35 GLN HA 1 38 ASN HD22 6.000 . 6.500 5.385 5.041 5.962 . 0 0 "[ . 1 . 2]" 1
675 1 35 GLN HA 1 39 ASP H 4.150 . 6.310 4.139 3.744 4.722 . 0 0 "[ . 1 . 2]" 1
676 1 35 GLN HB2 1 35 GLN HG2 2.110 . 2.660 2.493 2.399 2.931 0.271 7 0 "[ . 1 . 2]" 1
677 1 35 GLN HB2 1 36 TYR H 3.350 . 4.750 3.832 3.256 4.038 . 0 0 "[ . 1 . 2]" 1
678 1 35 GLN HB3 1 35 GLN HG2 2.270 . 2.910 2.607 2.320 3.032 0.122 12 0 "[ . 1 . 2]" 1
679 1 35 GLN HB3 1 36 TYR H 2.460 . 3.210 2.753 2.361 2.849 . 0 0 "[ . 1 . 2]" 1
680 1 35 GLN HE21 1 35 GLN HG2 2.830 . 3.830 2.583 2.184 3.527 . 0 0 "[ . 1 . 2]" 1
681 1 35 GLN HE21 1 35 GLN HG3 3.050 . 4.210 2.853 2.213 3.490 . 0 0 "[ . 1 . 2]" 1
682 1 35 GLN HG2 1 36 TYR H 4.010 . 6.020 4.881 3.758 5.087 . 0 0 "[ . 1 . 2]" 1
683 1 36 TYR H 1 36 TYR HA 2.710 . 3.630 2.821 2.783 2.839 . 0 0 "[ . 1 . 2]" 1
684 1 36 TYR H 1 36 TYR HB2 2.160 . 2.740 2.724 2.628 2.777 0.037 11 0 "[ . 1 . 2]" 1
685 1 36 TYR H 1 36 TYR QB 2.070 . 2.600 2.162 2.098 2.225 . 0 0 "[ . 1 . 2]" 1
686 1 36 TYR H 1 36 TYR QD 4.320 . 6.500 4.084 4.014 4.170 . 0 0 "[ . 1 . 2]" 1
687 1 36 TYR H 1 37 ALA H 2.480 . 3.250 2.715 2.622 2.922 . 0 0 "[ . 1 . 2]" 1
688 1 36 TYR H 1 37 ALA H 2.210 . 2.820 2.327 2.277 2.419 . 0 0 "[ . 1 . 2]" 1
689 1 36 TYR HA 1 36 TYR HB2 2.550 . 3.360 2.376 2.349 2.396 . 0 0 "[ . 1 . 2]" 1
690 1 36 TYR HA 1 36 TYR QD 2.860 . 3.880 2.792 2.620 2.964 . 0 0 "[ . 1 . 2]" 1
691 1 36 TYR HA 1 37 ALA H 3.200 . 4.480 3.561 3.546 3.586 . 0 0 "[ . 1 . 2]" 1
692 1 36 TYR HA 1 38 ASN H 3.810 . 5.620 4.347 4.112 4.585 . 0 0 "[ . 1 . 2]" 1
693 1 36 TYR HA 1 39 ASP H 3.390 . 4.830 3.689 3.466 4.005 . 0 0 "[ . 1 . 2]" 1
694 1 36 TYR HA 1 39 ASP HB2 2.800 . 3.780 3.706 3.101 4.104 0.324 13 0 "[ . 1 . 2]" 1
695 1 36 TYR HA 1 40 ASN HD21 3.340 . 4.730 4.366 3.696 5.522 0.792 12 1 "[ . 1 + . 2]" 1
696 1 36 TYR HA 1 40 ASN HD22 3.970 . 5.940 4.891 4.460 5.526 . 0 0 "[ . 1 . 2]" 1
697 1 36 TYR HB2 1 36 TYR QD 2.270 . 2.920 2.516 2.404 2.617 . 0 0 "[ . 1 . 2]" 1
698 1 36 TYR HB3 1 37 ALA H 3.090 . 4.290 2.446 2.348 2.545 . 0 0 "[ . 1 . 2]" 1
699 1 36 TYR HB3 1 37 ALA MB 3.060 . 4.230 3.910 3.797 3.978 . 0 0 "[ . 1 . 2]" 1
700 1 36 TYR QD 1 37 ALA H 3.120 . 4.340 2.925 2.814 3.145 . 0 0 "[ . 1 . 2]" 1
701 1 36 TYR QD 1 37 ALA HA 3.120 . 4.330 3.542 3.141 3.917 . 0 0 "[ . 1 . 2]" 1
702 1 36 TYR QD 1 40 ASN HD21 3.540 . 5.110 4.021 3.593 4.442 . 0 0 "[ . 1 . 2]" 1
703 1 36 TYR QD 1 40 ASN HD22 3.630 . 5.280 3.959 3.442 4.566 . 0 0 "[ . 1 . 2]" 1
704 1 36 TYR QE 1 37 ALA H 3.960 . 5.920 4.934 4.766 5.037 . 0 0 "[ . 1 . 2]" 1
705 1 36 TYR QE 1 37 ALA HA 3.620 . 5.260 4.294 4.029 4.545 . 0 0 "[ . 1 . 2]" 1
706 1 36 TYR QE 1 37 ALA MB 3.070 . 4.250 4.209 4.154 4.287 0.037 14 0 "[ . 1 . 2]" 1
707 1 37 ALA H 1 37 ALA HA 2.700 . 3.610 2.834 2.805 2.853 . 0 0 "[ . 1 . 2]" 1
708 1 37 ALA H 1 37 ALA MB 2.180 . 2.770 2.230 2.203 2.248 . 0 0 "[ . 1 . 2]" 1
709 1 37 ALA H 1 38 ASN H 2.510 . 3.290 2.535 2.468 2.610 . 0 0 "[ . 1 . 2]" 1
710 1 37 ALA H 1 38 ASN HB3 4.890 . 6.500 4.789 4.607 4.925 . 0 0 "[ . 1 . 2]" 1
711 1 37 ALA HA 1 37 ALA MB 2.250 . 2.880 2.135 2.130 2.138 . 0 0 "[ . 1 . 2]" 1
712 1 37 ALA HA 1 38 ASN H 3.300 . 4.660 3.490 3.448 3.514 . 0 0 "[ . 1 . 2]" 1
713 1 37 ALA HA 1 40 ASN H 3.220 . 4.510 3.404 3.186 3.579 . 0 0 "[ . 1 . 2]" 1
714 1 37 ALA HA 1 40 ASN QB 3.900 . 4.920 3.010 2.292 4.437 . 0 0 "[ . 1 . 2]" 1
715 1 37 ALA HA 1 40 ASN HD21 4.010 . 6.020 3.173 2.530 3.728 . 0 0 "[ . 1 . 2]" 1
716 1 37 ALA HA 1 40 ASN HD22 5.450 . 6.500 4.134 1.906 5.125 . 0 0 "[ . 1 . 2]" 1
717 1 37 ALA HA 1 42 VAL H 3.450 . 4.940 3.867 3.740 3.991 . 0 0 "[ . 1 . 2]" 1
718 1 37 ALA HA 1 42 VAL HB 3.020 . 4.160 3.306 3.042 3.682 . 0 0 "[ . 1 . 2]" 1
719 1 37 ALA MB 1 38 ASN H 2.630 . 3.490 2.657 2.519 2.857 . 0 0 "[ . 1 . 2]" 1
720 1 37 ALA MB 1 46 TRP HZ2 2.380 . 3.090 2.907 2.541 3.093 0.003 14 0 "[ . 1 . 2]" 1
721 1 37 ALA MB 1 57 VAL MG1 2.690 . 3.590 2.742 2.587 3.107 . 0 0 "[ . 1 . 2]" 1
722 1 37 ALA MB 1 57 VAL MG2 3.130 . 4.360 3.255 2.925 3.589 . 0 0 "[ . 1 . 2]" 1
723 1 38 ASN H 1 38 ASN HA 2.550 . 3.360 2.809 2.755 2.860 . 0 0 "[ . 1 . 2]" 1
724 1 38 ASN H 1 38 ASN HB2 2.270 . 2.910 2.540 2.458 2.624 . 0 0 "[ . 1 . 2]" 1
725 1 38 ASN H 1 38 ASN QB 2.480 . 3.250 2.273 2.258 2.287 . 0 0 "[ . 1 . 2]" 1
726 1 38 ASN H 1 39 ASP H 2.490 . 3.270 2.701 2.448 2.962 . 0 0 "[ . 1 . 2]" 1
727 1 38 ASN H 1 40 ASN H 4.050 . 6.100 4.017 3.839 4.249 . 0 0 "[ . 1 . 2]" 1
728 1 38 ASN HA 1 38 ASN HB2 2.320 . 3.000 2.496 2.426 2.562 . 0 0 "[ . 1 . 2]" 1
729 1 38 ASN HA 1 38 ASN QB 2.600 . 3.450 2.388 2.335 2.436 . 0 0 "[ . 1 . 2]" 1
730 1 38 ASN HA 1 38 ASN HB3 2.530 . 3.330 3.045 3.037 3.056 . 0 0 "[ . 1 . 2]" 1
731 1 38 ASN HA 1 38 ASN HD21 4.010 . 6.020 3.666 3.184 4.095 . 0 0 "[ . 1 . 2]" 1
732 1 38 ASN HA 1 38 ASN HD22 5.240 . 6.500 4.310 4.049 4.603 . 0 0 "[ . 1 . 2]" 1
733 1 38 ASN HA 1 39 ASP H 3.460 . 4.960 3.522 3.450 3.571 . 0 0 "[ . 1 . 2]" 1
734 1 38 ASN HB2 1 38 ASN HD21 3.290 . 4.650 2.915 2.206 3.507 . 0 0 "[ . 1 . 2]" 1
735 1 38 ASN HB2 1 39 ASP H 3.100 . 4.300 3.890 3.743 4.108 . 0 0 "[ . 1 . 2]" 1
736 1 38 ASN HB3 1 38 ASN HD21 3.220 . 4.510 2.785 2.220 3.463 . 0 0 "[ . 1 . 2]" 1
737 1 38 ASN HB3 1 39 ASP H 2.610 . 3.460 2.633 2.293 3.013 . 0 0 "[ . 1 . 2]" 1
738 1 39 ASP H 1 39 ASP HA 2.650 . 3.530 2.831 2.799 2.873 . 0 0 "[ . 1 . 2]" 1
739 1 39 ASP H 1 39 ASP HB2 2.380 . 3.090 2.462 2.172 2.757 . 0 0 "[ . 1 . 2]" 1
740 1 39 ASP H 1 39 ASP HB3 2.930 . 4.010 2.789 2.363 3.584 . 0 0 "[ . 1 . 2]" 1
741 1 39 ASP H 1 40 ASN H 2.530 . 3.330 2.601 2.471 2.699 . 0 0 "[ . 1 . 2]" 1
742 1 39 ASP H 1 41 GLY H 4.040 . 6.080 3.903 3.689 4.106 . 0 0 "[ . 1 . 2]" 1
743 1 39 ASP HA 1 39 ASP HB2 2.640 . 3.510 2.602 2.398 3.017 . 0 0 "[ . 1 . 2]" 1
744 1 39 ASP HA 1 39 ASP HB3 2.540 . 3.350 2.923 2.534 3.030 . 0 0 "[ . 1 . 2]" 1
745 1 39 ASP HA 1 40 ASN H 3.340 . 4.740 3.452 3.314 3.547 . 0 0 "[ . 1 . 2]" 1
746 1 39 ASP HA 1 41 GLY H 3.360 . 4.770 3.854 3.582 4.333 . 0 0 "[ . 1 . 2]" 1
747 1 39 ASP HB2 1 40 ASN H 2.960 . 4.060 3.884 3.126 4.183 0.123 14 0 "[ . 1 . 2]" 1
748 1 39 ASP HB3 1 40 ASN H 3.490 . 5.010 3.209 2.643 4.121 . 0 0 "[ . 1 . 2]" 1
749 1 40 ASN H 1 40 ASN HA 2.910 . 3.960 2.919 2.867 2.940 . 0 0 "[ . 1 . 2]" 1
750 1 40 ASN H 1 40 ASN QB 2.760 . 3.710 2.452 2.219 3.017 . 0 0 "[ . 1 . 2]" 1
751 1 40 ASN H 1 40 ASN HD21 2.850 . 3.870 2.958 2.827 3.762 . 0 0 "[ . 1 . 2]" 1
752 1 40 ASN H 1 40 ASN HD22 3.940 . 5.880 4.115 3.201 4.590 . 0 0 "[ . 1 . 2]" 1
753 1 40 ASN H 1 41 GLY H 2.370 . 3.070 2.236 2.178 2.497 . 0 0 "[ . 1 . 2]" 1
754 1 40 ASN H 1 41 GLY QA 4.720 . 6.500 4.178 4.079 4.442 . 0 0 "[ . 1 . 2]" 1
755 1 40 ASN H 1 42 VAL H 3.770 . 5.540 3.534 3.302 3.859 . 0 0 "[ . 1 . 2]" 1
756 1 40 ASN H 1 42 VAL MG2 3.280 . 4.630 4.423 4.348 4.507 . 0 0 "[ . 1 . 2]" 1
757 1 40 ASN HA 1 40 ASN QB 2.760 . 3.710 2.394 2.159 2.484 . 0 0 "[ . 1 . 2]" 1
758 1 40 ASN HA 1 40 ASN HD21 4.610 . 6.500 3.843 3.644 4.476 . 0 0 "[ . 1 . 2]" 1
759 1 40 ASN HA 1 40 ASN HD22 5.040 . 6.500 4.388 4.094 5.071 . 0 0 "[ . 1 . 2]" 1
760 1 40 ASN HA 1 41 GLY H 3.400 . 4.840 3.300 3.164 3.422 . 0 0 "[ . 1 . 2]" 1
761 1 40 ASN QB 1 40 ASN HD21 3.020 . 3.520 2.195 2.096 2.231 . 0 0 "[ . 1 . 2]" 1
762 1 40 ASN QB 1 41 GLY H 4.340 . 5.710 3.396 3.096 3.878 . 0 0 "[ . 1 . 2]" 1
763 1 40 ASN QB 1 42 VAL MG2 2.860 . 3.890 2.469 2.288 3.039 . 0 0 "[ . 1 . 2]" 1
764 1 41 GLY H 1 41 GLY QA 2.150 . 2.730 2.223 2.193 2.258 . 0 0 "[ . 1 . 2]" 1
765 1 41 GLY H 1 42 VAL H 2.550 . 3.360 2.515 2.355 2.731 . 0 0 "[ . 1 . 2]" 1
766 1 41 GLY H 1 42 VAL HB 5.420 . 6.500 4.854 4.636 5.047 . 0 0 "[ . 1 . 2]" 1
767 1 41 GLY H 1 42 VAL MG2 4.640 . 6.500 4.047 3.851 4.226 . 0 0 "[ . 1 . 2]" 1
768 1 41 GLY QA 1 42 VAL H 2.930 . 4.010 2.865 2.777 2.925 . 0 0 "[ . 1 . 2]" 1
769 1 41 GLY QA 1 42 VAL MG2 3.140 . 4.370 3.796 3.667 3.959 . 0 0 "[ . 1 . 2]" 1
770 1 42 VAL H 1 42 VAL HA 2.770 . 3.730 2.919 2.896 2.930 . 0 0 "[ . 1 . 2]" 1
771 1 42 VAL H 1 42 VAL HB 2.410 . 3.140 2.558 2.499 2.615 . 0 0 "[ . 1 . 2]" 1
772 1 42 VAL H 1 42 VAL MG1 3.890 . 5.780 3.800 3.776 3.821 . 0 0 "[ . 1 . 2]" 1
773 1 42 VAL H 1 42 VAL MG2 2.520 . 3.310 2.520 2.344 2.690 . 0 0 "[ . 1 . 2]" 1
774 1 42 VAL HA 1 42 VAL HB 2.930 . 4.000 3.030 3.022 3.038 . 0 0 "[ . 1 . 2]" 1
775 1 42 VAL HA 1 42 VAL MG1 2.410 . 3.130 2.369 2.306 2.426 . 0 0 "[ . 1 . 2]" 1
776 1 42 VAL HA 1 42 VAL MG2 2.290 . 2.950 2.338 2.279 2.381 . 0 0 "[ . 1 . 2]" 1
777 1 42 VAL HA 1 43 ASP H 2.100 . 2.650 2.104 2.068 2.141 . 0 0 "[ . 1 . 2]" 1
778 1 42 VAL HB 1 42 VAL MG1 2.180 . 2.770 2.139 2.133 2.146 . 0 0 "[ . 1 . 2]" 1
779 1 42 VAL HB 1 42 VAL MG2 2.080 . 2.620 2.129 2.124 2.134 . 0 0 "[ . 1 . 2]" 1
780 1 42 VAL MG1 1 42 VAL MG2 2.090 . 2.630 2.082 2.070 2.095 . 0 0 "[ . 1 . 2]" 1
781 1 42 VAL MG1 1 43 ASP H 2.780 . 3.750 2.864 2.537 3.265 . 0 0 "[ . 1 . 2]" 1
782 1 42 VAL MG1 1 44 GLY H 4.070 . 6.140 4.130 3.352 4.583 . 0 0 "[ . 1 . 2]" 1
783 1 42 VAL MG1 1 57 VAL MG1 2.330 . 3.010 2.236 2.064 2.470 . 0 0 "[ . 1 . 2]" 1
784 1 42 VAL MG1 1 57 VAL MG2 2.500 . 3.280 2.403 2.197 2.821 . 0 0 "[ . 1 . 2]" 1
785 1 42 VAL MG1 1 59 GLU QG 2.860 . 3.890 2.827 2.027 3.501 . 0 0 "[ . 1 . 2]" 1
786 1 42 VAL MG2 1 43 ASP H 4.490 . 6.500 4.037 3.959 4.146 . 0 0 "[ . 1 . 2]" 1
787 1 43 ASP H 1 43 ASP HA 2.780 . 3.750 2.917 2.884 2.955 . 0 0 "[ . 1 . 2]" 1
788 1 43 ASP H 1 43 ASP HB2 3.140 . 4.370 3.321 2.700 4.021 . 0 0 "[ . 1 . 2]" 1
789 1 43 ASP H 1 43 ASP HB3 3.070 . 4.250 3.031 2.772 3.805 . 0 0 "[ . 1 . 2]" 1
790 1 43 ASP H 1 59 GLU QG 3.770 . 5.550 3.523 3.262 4.000 . 0 0 "[ . 1 . 2]" 1
791 1 43 ASP HA 1 43 ASP HB2 2.540 . 3.350 2.547 2.455 3.059 . 0 0 "[ . 1 . 2]" 1
792 1 43 ASP HA 1 43 ASP HB3 2.930 . 4.000 2.929 2.507 3.046 . 0 0 "[ . 1 . 2]" 1
793 1 43 ASP HA 1 44 GLY H 2.240 . 2.870 2.238 2.181 2.314 . 0 0 "[ . 1 . 2]" 1
794 1 43 ASP HA 1 57 VAL MG2 3.590 . 5.200 2.893 2.132 3.653 . 0 0 "[ . 1 . 2]" 1
795 1 44 GLY H 1 44 GLY HA2 2.940 . 4.020 2.832 2.753 2.936 . 0 0 "[ . 1 . 2]" 1
796 1 44 GLY H 1 44 GLY HA3 2.640 . 3.510 2.743 2.504 2.837 . 0 0 "[ . 1 . 2]" 1
797 1 44 GLY H 1 46 TRP HE1 3.020 . 4.160 3.304 2.811 3.777 . 0 0 "[ . 1 . 2]" 1
798 1 44 GLY H 1 57 VAL MG1 5.040 . 6.500 4.728 4.006 5.444 . 0 0 "[ . 1 . 2]" 1
799 1 44 GLY H 1 57 VAL MG2 2.670 . 3.560 2.441 1.857 3.131 . 0 0 "[ . 1 . 2]" 1
800 1 44 GLY HA2 1 45 GLU H 2.460 . 3.210 2.693 2.554 2.755 . 0 0 "[ . 1 . 2]" 1
801 1 44 GLY HA2 1 57 VAL MG1 4.570 . 6.500 6.308 6.167 6.499 . 0 0 "[ . 1 . 2]" 1
802 1 44 GLY HA2 1 57 VAL MG2 3.500 . 5.030 4.007 3.866 4.253 . 0 0 "[ . 1 . 2]" 1
803 1 44 GLY HA2 1 58 THR H 4.540 . 6.500 5.201 5.002 5.456 . 0 0 "[ . 1 . 2]" 1
804 1 44 GLY HA2 1 59 GLU HA 3.190 . 4.470 3.784 3.358 4.090 . 0 0 "[ . 1 . 2]" 1
805 1 44 GLY HA2 1 59 GLU HB2 4.550 . 6.500 6.424 5.882 7.029 0.529 3 1 "[ + . 1 . 2]" 1
806 1 44 GLY HA2 1 59 GLU QG 4.210 . 6.420 5.111 4.636 5.683 . 0 0 "[ . 1 . 2]" 1
807 1 44 GLY HA2 1 60 GLY H 4.030 . 6.060 4.183 3.119 5.385 . 0 0 "[ . 1 . 2]" 1
808 1 44 GLY HA3 1 45 GLU H 2.450 . 3.200 2.445 2.388 2.517 . 0 0 "[ . 1 . 2]" 1
809 1 44 GLY HA3 1 57 VAL MG1 4.460 . 6.500 5.069 4.960 5.194 . 0 0 "[ . 1 . 2]" 1
810 1 44 GLY HA3 1 57 VAL MG2 3.190 . 4.460 2.943 2.823 3.088 . 0 0 "[ . 1 . 2]" 1
811 1 44 GLY HA3 1 59 GLU QG 3.880 . 5.760 4.332 3.743 4.922 . 0 0 "[ . 1 . 2]" 1
812 1 45 GLU H 1 45 GLU HA 2.910 . 3.970 2.814 2.783 2.864 . 0 0 "[ . 1 . 2]" 1
813 1 45 GLU H 1 45 GLU HB3 2.980 . 4.090 3.340 2.414 3.609 . 0 0 "[ . 1 . 2]" 1
814 1 45 GLU H 1 45 GLU HG3 3.570 . 5.160 3.508 2.051 4.421 . 0 0 "[ . 1 . 2]" 1
815 1 45 GLU H 1 57 VAL MG2 3.500 . 5.030 4.116 3.876 4.320 . 0 0 "[ . 1 . 2]" 1
816 1 45 GLU H 1 58 THR H 2.830 . 3.830 3.595 3.395 3.805 . 0 0 "[ . 1 . 2]" 1
817 1 45 GLU H 1 58 THR HB 3.400 . 4.840 3.838 3.474 4.335 . 0 0 "[ . 1 . 2]" 1
818 1 45 GLU H 1 59 GLU HA 3.440 . 4.920 4.347 3.914 4.848 . 0 0 "[ . 1 . 2]" 1
819 1 45 GLU HA 1 45 GLU HB2 2.870 . 3.900 2.892 2.409 3.029 . 0 0 "[ . 1 . 2]" 1
820 1 45 GLU HA 1 45 GLU HB3 2.730 . 3.660 2.623 2.354 3.033 . 0 0 "[ . 1 . 2]" 1
821 1 45 GLU HA 1 45 GLU HG2 2.970 . 4.070 2.977 2.358 3.828 . 0 0 "[ . 1 . 2]" 1
822 1 45 GLU HA 1 45 GLU HG3 3.420 . 4.890 3.243 2.384 3.932 . 0 0 "[ . 1 . 2]" 1
823 1 45 GLU HA 1 46 TRP H 2.220 . 2.840 2.221 2.116 2.318 . 0 0 "[ . 1 . 2]" 1
824 1 45 GLU HA 1 46 TRP HD1 3.140 . 4.380 3.654 3.138 4.067 . 0 0 "[ . 1 . 2]" 1
825 1 45 GLU HB2 1 46 TRP H 3.990 . 5.980 4.001 2.983 4.483 . 0 0 "[ . 1 . 2]" 1
826 1 45 GLU HB2 1 58 THR HB 2.950 . 4.040 3.461 2.904 4.909 0.869 1 1 "[+ . 1 . 2]" 1
827 1 45 GLU HB3 1 45 GLU HG3 2.250 . 2.880 2.674 2.382 3.013 0.133 3 0 "[ . 1 . 2]" 1
828 1 45 GLU HB3 1 46 TRP H 3.400 . 4.850 3.199 2.633 4.391 . 0 0 "[ . 1 . 2]" 1
829 1 45 GLU HB3 1 58 THR H 3.920 . 5.840 4.558 3.721 5.064 . 0 0 "[ . 1 . 2]" 1
830 1 45 GLU HB3 1 58 THR HB 3.680 . 5.380 4.345 3.645 4.940 . 0 0 "[ . 1 . 2]" 1
831 1 45 GLU HG2 1 46 TRP H 3.930 . 5.860 4.458 3.528 5.009 . 0 0 "[ . 1 . 2]" 1
832 1 45 GLU HG3 1 46 TRP H 4.090 . 6.180 4.509 3.416 5.296 . 0 0 "[ . 1 . 2]" 1
833 1 46 TRP H 1 46 TRP HB2 2.470 . 3.240 2.450 2.020 2.550 . 0 0 "[ . 1 . 2]" 1
834 1 46 TRP H 1 46 TRP HB3 3.530 . 5.090 3.600 3.327 3.673 . 0 0 "[ . 1 . 2]" 1
835 1 46 TRP H 1 46 TRP HD1 2.960 . 4.060 3.284 2.798 3.598 . 0 0 "[ . 1 . 2]" 1
836 1 46 TRP HA 1 46 TRP HB3 2.470 . 3.230 2.680 2.622 2.721 . 0 0 "[ . 1 . 2]" 1
837 1 46 TRP HA 1 46 TRP HD1 3.250 . 4.570 3.165 3.021 3.268 . 0 0 "[ . 1 . 2]" 1
838 1 46 TRP HA 1 47 THR H 2.110 . 2.670 2.129 2.100 2.174 . 0 0 "[ . 1 . 2]" 1
839 1 46 TRP HA 1 47 THR MG 3.970 . 5.940 4.249 3.929 5.087 . 0 0 "[ . 1 . 2]" 1
840 1 46 TRP HA 1 56 THR H 4.000 . 6.000 4.423 4.140 4.676 . 0 0 "[ . 1 . 2]" 1
841 1 46 TRP HA 1 57 VAL HA 2.470 . 3.230 2.797 2.624 3.032 . 0 0 "[ . 1 . 2]" 1
842 1 46 TRP HA 1 57 VAL HB 4.140 . 6.280 4.065 3.847 4.333 . 0 0 "[ . 1 . 2]" 1
843 1 46 TRP HA 1 57 VAL MG2 3.410 . 4.860 3.671 3.415 3.878 . 0 0 "[ . 1 . 2]" 1
844 1 46 TRP HA 1 58 THR H 3.800 . 5.600 3.971 3.620 4.348 . 0 0 "[ . 1 . 2]" 1
845 1 46 TRP HB2 1 46 TRP HE3 3.780 . 5.560 3.979 3.838 4.081 . 0 0 "[ . 1 . 2]" 1
846 1 46 TRP HB2 1 47 THR H 4.110 . 6.220 4.477 4.194 4.584 . 0 0 "[ . 1 . 2]" 1
847 1 46 TRP HB3 1 46 TRP HD1 3.380 . 4.810 3.878 3.848 3.894 . 0 0 "[ . 1 . 2]" 1
848 1 46 TRP HB3 1 47 THR H 3.280 . 4.630 3.604 3.037 3.911 . 0 0 "[ . 1 . 2]" 1
849 1 46 TRP HD1 1 57 VAL HB 4.390 . 6.500 4.370 3.601 4.852 . 0 0 "[ . 1 . 2]" 1
850 1 46 TRP HE1 1 57 VAL MG2 2.980 . 4.090 2.430 2.197 2.780 . 0 0 "[ . 1 . 2]" 1
851 1 46 TRP HE3 1 47 THR H 3.580 . 5.190 4.796 4.350 5.126 . 0 0 "[ . 1 . 2]" 1
852 1 46 TRP HH2 1 57 VAL HB 4.270 . 6.500 4.941 4.614 5.327 . 0 0 "[ . 1 . 2]" 1
853 1 46 TRP HZ2 1 57 VAL HB 4.140 . 6.280 3.840 3.498 4.270 . 0 0 "[ . 1 . 2]" 1
854 1 46 TRP HZ2 1 57 VAL MG2 3.190 . 4.460 3.733 3.417 4.129 . 0 0 "[ . 1 . 2]" 1
855 1 46 TRP HZ3 1 55 TYR QB 2.970 . 4.070 3.023 2.801 3.339 . 0 0 "[ . 1 . 2]" 1
856 1 46 TRP HZ3 1 57 VAL HB 4.270 . 6.500 5.497 5.218 5.881 . 0 0 "[ . 1 . 2]" 1
857 1 47 THR H 1 47 THR HA 2.990 . 4.110 2.938 2.923 2.949 . 0 0 "[ . 1 . 2]" 1
858 1 47 THR H 1 47 THR HB 3.730 . 5.470 3.618 3.234 3.756 . 0 0 "[ . 1 . 2]" 1
859 1 47 THR H 1 47 THR MG 3.110 . 4.320 3.157 2.917 3.854 . 0 0 "[ . 1 . 2]" 1
860 1 47 THR H 1 55 TYR HA 4.150 . 6.300 4.826 4.389 5.219 . 0 0 "[ . 1 . 2]" 1
861 1 47 THR H 1 56 THR H 2.780 . 3.750 3.046 2.651 3.400 . 0 0 "[ . 1 . 2]" 1
862 1 47 THR H 1 56 THR HB 3.670 . 5.360 3.507 3.379 3.942 . 0 0 "[ . 1 . 2]" 1
863 1 47 THR H 1 56 THR MG 4.540 . 6.500 4.389 4.052 4.958 . 0 0 "[ . 1 . 2]" 1
864 1 47 THR H 1 57 VAL HA 3.470 . 4.980 3.698 3.477 4.101 . 0 0 "[ . 1 . 2]" 1
865 1 47 THR HA 1 47 THR HB 2.470 . 3.230 2.625 2.530 2.925 . 0 0 "[ . 1 . 2]" 1
866 1 47 THR HA 1 47 THR MG 2.420 . 3.150 2.229 2.154 2.311 . 0 0 "[ . 1 . 2]" 1
867 1 47 THR HA 1 48 TYR H 2.190 . 2.790 2.387 2.283 2.495 . 0 0 "[ . 1 . 2]" 1
868 1 47 THR HB 1 47 THR MG 2.120 . 2.680 2.134 2.131 2.137 . 0 0 "[ . 1 . 2]" 1
869 1 47 THR HB 1 48 TYR H 2.640 . 3.510 2.651 2.475 3.501 . 0 0 "[ . 1 . 2]" 1
870 1 47 THR HB 1 56 THR H 4.490 . 6.500 4.481 3.981 4.786 . 0 0 "[ . 1 . 2]" 1
871 1 47 THR MG 1 48 TYR H 3.790 . 5.590 3.350 2.682 3.666 . 0 0 "[ . 1 . 2]" 1
872 1 47 THR MG 1 56 THR H 4.630 . 6.500 5.078 4.814 5.273 . 0 0 "[ . 1 . 2]" 1
873 1 48 TYR H 1 48 TYR HA 2.960 . 4.050 2.901 2.874 2.930 . 0 0 "[ . 1 . 2]" 1
874 1 48 TYR H 1 48 TYR HB2 3.390 . 4.830 3.479 3.343 3.662 . 0 0 "[ . 1 . 2]" 1
875 1 48 TYR H 1 48 TYR HB3 2.630 . 3.500 2.834 2.599 2.950 . 0 0 "[ . 1 . 2]" 1
876 1 48 TYR HA 1 48 TYR HB2 2.630 . 3.490 2.372 2.340 2.415 . 0 0 "[ . 1 . 2]" 1
877 1 48 TYR HA 1 49 ASP H 2.310 . 2.980 2.265 2.163 2.335 . 0 0 "[ . 1 . 2]" 1
878 1 48 TYR HA 1 55 TYR HA 2.560 . 3.380 2.668 2.495 2.855 . 0 0 "[ . 1 . 2]" 1
879 1 48 TYR HA 1 56 THR H 3.560 . 5.150 3.480 3.257 3.878 . 0 0 "[ . 1 . 2]" 1
880 1 48 TYR HB2 1 48 TYR QD 3.190 . 4.460 2.526 2.392 2.623 . 0 0 "[ . 1 . 2]" 1
881 1 48 TYR HB2 1 55 TYR HA 3.520 . 5.070 3.370 3.140 3.701 . 0 0 "[ . 1 . 2]" 1
882 1 48 TYR HB2 1 55 TYR QD 3.100 . 4.300 3.174 2.757 3.493 . 0 0 "[ . 1 . 2]" 1
883 1 48 TYR HB3 1 48 TYR QD 3.630 . 5.280 2.357 2.280 2.456 . 0 0 "[ . 1 . 2]" 1
884 1 48 TYR HB3 1 55 TYR HA 5.120 . 6.500 4.885 4.734 5.117 . 0 0 "[ . 1 . 2]" 1
885 1 48 TYR HB3 1 55 TYR QD 4.560 . 6.500 4.679 4.328 5.023 . 0 0 "[ . 1 . 2]" 1
886 1 48 TYR QD 1 55 TYR QD 2.700 . 3.610 3.245 2.993 3.655 0.045 5 0 "[ . 1 . 2]" 1
887 1 48 TYR QE 1 50 ASP HA 3.130 . 4.360 2.912 2.259 3.313 . 0 0 "[ . 1 . 2]" 1
888 1 48 TYR QE 1 50 ASP HB2 3.590 . 5.210 3.407 2.791 4.948 . 0 0 "[ . 1 . 2]" 1
889 1 48 TYR QE 1 50 ASP HB3 3.210 . 4.500 4.184 2.508 4.966 0.466 3 0 "[ . 1 . 2]" 1
890 1 48 TYR QE 1 53 LYS HA 2.950 . 4.040 2.201 1.791 2.874 0.069 12 0 "[ . 1 . 2]" 1
891 1 48 TYR QE 1 54 THR H 4.130 . 6.270 3.811 2.987 4.674 . 0 0 "[ . 1 . 2]" 1
892 1 49 ASP H 1 49 ASP HB2 3.250 . 4.570 3.353 2.969 3.936 . 0 0 "[ . 1 . 2]" 1
893 1 49 ASP H 1 49 ASP HB3 2.940 . 4.020 2.930 2.723 3.253 . 0 0 "[ . 1 . 2]" 1
894 1 49 ASP H 1 54 THR HB 4.150 . 6.300 3.968 3.690 4.507 . 0 0 "[ . 1 . 2]" 1
895 1 49 ASP HA 1 49 ASP HB2 2.740 . 3.680 2.506 2.338 2.651 . 0 0 "[ . 1 . 2]" 1
896 1 49 ASP HA 1 50 ASP H 2.330 . 3.010 2.280 2.194 2.375 . 0 0 "[ . 1 . 2]" 1
897 1 49 ASP HA 1 51 ALA H 3.860 . 5.730 3.994 3.668 4.845 . 0 0 "[ . 1 . 2]" 1
898 1 49 ASP HB2 1 54 THR H 4.220 . 6.440 4.799 4.321 5.158 . 0 0 "[ . 1 . 2]" 1
899 1 49 ASP HB2 1 54 THR HB 3.790 . 5.590 4.511 4.169 4.946 . 0 0 "[ . 1 . 2]" 1
900 1 49 ASP HB3 1 54 THR H 3.330 . 4.720 3.550 3.170 4.568 . 0 0 "[ . 1 . 2]" 1
901 1 49 ASP HB3 1 54 THR HB 3.210 . 4.500 3.524 2.997 4.250 . 0 0 "[ . 1 . 2]" 1
902 1 50 ASP H 1 50 ASP HB2 2.790 . 3.760 2.967 2.459 3.670 . 0 0 "[ . 1 . 2]" 1
903 1 50 ASP H 1 50 ASP HB3 2.860 . 3.880 2.694 2.436 3.620 . 0 0 "[ . 1 . 2]" 1
904 1 50 ASP HA 1 50 ASP HB2 2.970 . 4.070 2.551 2.424 3.038 . 0 0 "[ . 1 . 2]" 1
905 1 50 ASP HA 1 50 ASP HB3 2.760 . 3.720 2.866 2.412 3.043 . 0 0 "[ . 1 . 2]" 1
906 1 50 ASP HA 1 53 LYS H 3.190 . 4.460 3.372 3.038 3.986 . 0 0 "[ . 1 . 2]" 1
907 1 50 ASP HB2 1 51 ALA H 3.370 . 4.790 4.003 2.260 4.395 . 0 0 "[ . 1 . 2]" 1
908 1 50 ASP HB3 1 51 ALA H 3.840 . 5.680 3.456 2.818 4.479 . 0 0 "[ . 1 . 2]" 1
909 1 51 ALA H 1 51 ALA HA 2.660 . 3.540 2.854 2.788 2.907 . 0 0 "[ . 1 . 2]" 1
910 1 51 ALA H 1 51 ALA MB 2.280 . 2.930 2.262 2.213 2.307 . 0 0 "[ . 1 . 2]" 1
911 1 51 ALA H 1 52 THR H 2.650 . 3.530 2.568 2.481 2.774 . 0 0 "[ . 1 . 2]" 1
912 1 51 ALA H 1 52 THR MG 3.440 . 4.910 4.501 4.203 4.686 . 0 0 "[ . 1 . 2]" 1
913 1 51 ALA HA 1 51 ALA MB 2.180 . 2.780 2.124 2.119 2.130 . 0 0 "[ . 1 . 2]" 1
914 1 51 ALA HA 1 52 THR H 3.310 . 4.680 3.529 3.447 3.603 . 0 0 "[ . 1 . 2]" 1
915 1 51 ALA MB 1 52 THR H 2.860 . 3.880 2.706 2.565 3.002 . 0 0 "[ . 1 . 2]" 1
916 1 51 ALA MB 1 52 THR MG 2.600 . 3.450 2.873 2.696 3.453 0.003 18 0 "[ . 1 . 2]" 1
917 1 52 THR H 1 52 THR HA 2.930 . 4.010 2.933 2.916 2.946 . 0 0 "[ . 1 . 2]" 1
918 1 52 THR H 1 52 THR HB 3.920 . 5.840 3.620 3.272 3.695 . 0 0 "[ . 1 . 2]" 1
919 1 52 THR H 1 52 THR MG 2.800 . 3.780 2.815 2.477 2.977 . 0 0 "[ . 1 . 2]" 1
920 1 52 THR H 1 53 LYS H 2.300 . 2.960 2.224 2.111 2.284 . 0 0 "[ . 1 . 2]" 1
921 1 52 THR H 1 53 LYS HA 4.560 . 6.500 4.439 4.174 4.554 . 0 0 "[ . 1 . 2]" 1
922 1 52 THR H 1 54 THR H 3.880 . 5.760 3.679 3.344 4.043 . 0 0 "[ . 1 . 2]" 1
923 1 52 THR HA 1 52 THR MG 2.070 . 2.610 1.970 1.943 2.084 . 0 0 "[ . 1 . 2]" 1
924 1 52 THR HA 1 52 THR MG 2.400 . 3.120 2.362 2.227 3.186 0.066 20 0 "[ . 1 . 2]" 1
925 1 52 THR HA 1 53 LYS H 3.190 . 4.460 3.326 3.055 3.439 . 0 0 "[ . 1 . 2]" 1
926 1 52 THR HB 1 52 THR MG 2.290 . 2.950 2.136 2.087 2.145 . 0 0 "[ . 1 . 2]" 1
927 1 52 THR HB 1 53 LYS H 4.620 . 6.500 4.162 3.988 4.587 . 0 0 "[ . 1 . 2]" 1
928 1 52 THR HB 1 54 THR H 3.590 . 5.200 3.920 2.986 5.106 . 0 0 "[ . 1 . 2]" 1
929 1 52 THR HB 1 54 THR HB 3.280 . 4.630 4.108 3.249 4.740 0.110 20 0 "[ . 1 . 2]" 1
930 1 53 LYS H 1 53 LYS HA 2.210 . 2.820 2.309 2.296 2.326 . 0 0 "[ . 1 . 2]" 1
931 1 53 LYS H 1 53 LYS HB2 3.290 . 4.650 3.410 3.094 3.742 . 0 0 "[ . 1 . 2]" 1
932 1 53 LYS H 1 53 LYS HB3 3.910 . 5.820 4.102 4.026 4.153 . 0 0 "[ . 1 . 2]" 1
933 1 53 LYS H 1 53 LYS HD2 3.680 . 5.370 2.844 1.975 4.799 0.015 20 0 "[ . 1 . 2]" 1
934 1 53 LYS H 1 53 LYS HD3 3.870 . 5.740 3.268 2.111 4.283 . 0 0 "[ . 1 . 2]" 1
935 1 53 LYS H 1 53 LYS HG2 3.840 . 5.680 4.358 2.889 4.771 . 0 0 "[ . 1 . 2]" 1
936 1 53 LYS H 1 53 LYS HG3 3.130 . 4.350 3.985 3.455 4.498 0.148 14 0 "[ . 1 . 2]" 1
937 1 53 LYS H 1 54 THR H 2.770 . 3.730 2.704 2.560 2.943 . 0 0 "[ . 1 . 2]" 1
938 1 53 LYS H 1 54 THR HB 4.800 . 6.500 5.025 4.773 5.309 . 0 0 "[ . 1 . 2]" 1
939 1 53 LYS HA 1 53 LYS HB2 2.760 . 3.710 3.000 2.924 3.032 . 0 0 "[ . 1 . 2]" 1
940 1 53 LYS HA 1 53 LYS HB3 2.450 . 3.200 2.597 2.382 2.762 . 0 0 "[ . 1 . 2]" 1
941 1 53 LYS HA 1 53 LYS HD2 3.270 . 4.610 2.852 2.123 4.155 . 0 0 "[ . 1 . 2]" 1
942 1 53 LYS HA 1 53 LYS HD3 3.370 . 4.790 3.487 1.948 4.159 0.002 5 0 "[ . 1 . 2]" 1
943 1 53 LYS HA 1 53 LYS HG2 3.330 . 4.720 3.569 2.846 3.713 . 0 0 "[ . 1 . 2]" 1
944 1 53 LYS HA 1 53 LYS HG3 2.470 . 3.230 2.660 2.350 3.876 0.646 16 2 "[ . 1 -.+ 2]" 1
945 1 53 LYS HA 1 54 THR H 2.640 . 3.510 2.812 2.582 3.110 . 0 0 "[ . 1 . 2]" 1
946 1 53 LYS HB2 1 53 LYS HD2 3.170 . 4.420 3.217 2.437 3.745 . 0 0 "[ . 1 . 2]" 1
947 1 53 LYS HB2 1 53 LYS HD3 2.630 . 3.490 2.872 2.456 4.209 0.719 16 1 "[ . 1 .+ 2]" 1
948 1 53 LYS HB2 1 53 LYS HG2 2.740 . 3.680 2.449 2.363 2.542 . 0 0 "[ . 1 . 2]" 1
949 1 53 LYS HB2 1 53 LYS HG3 2.660 . 3.540 2.918 2.357 3.022 . 0 0 "[ . 1 . 2]" 1
950 1 53 LYS HB3 1 53 LYS HG2 2.810 . 3.790 2.497 2.305 3.004 . 0 0 "[ . 1 . 2]" 1
951 1 53 LYS HB3 1 53 LYS HG3 2.270 . 2.920 2.450 2.370 2.572 . 0 0 "[ . 1 . 2]" 1
952 1 53 LYS QD 1 53 LYS HE2 2.440 . 3.180 2.314 2.167 2.411 . 0 0 "[ . 1 . 2]" 1
953 1 53 LYS HD2 1 53 LYS HE2 2.950 . 4.040 2.802 2.456 3.016 . 0 0 "[ . 1 . 2]" 1
954 1 53 LYS HD2 1 53 LYS HE3 2.260 . 2.900 2.546 2.344 3.019 0.119 9 0 "[ . 1 . 2]" 1
955 1 53 LYS HD2 1 54 THR H 4.610 . 6.500 4.949 4.390 6.303 . 0 0 "[ . 1 . 2]" 1
956 1 53 LYS HD3 1 53 LYS HE2 2.720 . 3.640 2.544 2.375 3.016 . 0 0 "[ . 1 . 2]" 1
957 1 53 LYS HD3 1 53 LYS HE3 2.460 . 3.220 2.803 2.461 3.017 . 0 0 "[ . 1 . 2]" 1
958 1 53 LYS HE3 1 53 LYS HG2 3.180 . 4.450 3.167 2.429 4.177 . 0 0 "[ . 1 . 2]" 1
959 1 53 LYS HE3 1 53 LYS HG3 3.010 . 4.140 2.967 2.391 3.728 . 0 0 "[ . 1 . 2]" 1
960 1 53 LYS HG3 1 54 THR H 4.780 . 6.500 5.266 5.022 5.949 . 0 0 "[ . 1 . 2]" 1
961 1 54 THR H 1 54 THR HB 2.760 . 3.710 2.654 2.527 2.774 . 0 0 "[ . 1 . 2]" 1
962 1 54 THR H 1 54 THR MG 4.150 . 6.300 3.837 3.755 3.917 . 0 0 "[ . 1 . 2]" 1
963 1 54 THR H 1 55 TYR H 4.680 . 6.500 4.357 4.238 4.528 . 0 0 "[ . 1 . 2]" 1
964 1 54 THR HA 1 54 THR MG 2.400 . 3.120 2.348 2.288 2.451 . 0 0 "[ . 1 . 2]" 1
965 1 54 THR HA 1 55 TYR H 2.210 . 2.820 2.149 2.116 2.185 . 0 0 "[ . 1 . 2]" 1
966 1 54 THR HA 1 55 TYR QB 4.860 . 6.500 4.336 4.191 4.423 . 0 0 "[ . 1 . 2]" 1
967 1 54 THR HB 1 54 THR MG 2.260 . 2.900 2.153 2.137 2.174 . 0 0 "[ . 1 . 2]" 1
968 1 54 THR HB 1 55 TYR H 4.410 . 6.500 4.205 4.069 4.375 . 0 0 "[ . 1 . 2]" 1
969 1 54 THR MG 1 55 TYR H 2.740 . 3.680 2.854 2.597 3.143 . 0 0 "[ . 1 . 2]" 1
970 1 54 THR MG 1 55 TYR HA 3.650 . 5.310 3.975 3.775 4.207 . 0 0 "[ . 1 . 2]" 1
971 1 55 TYR H 1 55 TYR HB2 2.560 . 3.380 2.405 2.347 2.484 . 0 0 "[ . 1 . 2]" 1
972 1 55 TYR H 1 55 TYR QD 3.220 . 4.520 2.961 2.747 3.868 . 0 0 "[ . 1 . 2]" 1
973 1 55 TYR H 1 56 THR H 4.710 . 6.500 4.489 4.434 4.554 . 0 0 "[ . 1 . 2]" 1
974 1 55 TYR HA 1 55 TYR QB 2.600 . 3.440 2.473 2.416 2.530 . 0 0 "[ . 1 . 2]" 1
975 1 55 TYR HA 1 55 TYR QD 3.040 . 4.200 2.961 2.441 3.131 . 0 0 "[ . 1 . 2]" 1
976 1 55 TYR HA 1 56 THR H 2.240 . 2.870 2.196 2.139 2.280 . 0 0 "[ . 1 . 2]" 1
977 1 55 TYR HA 1 56 THR HB 3.760 . 5.530 4.798 4.466 5.512 . 0 0 "[ . 1 . 2]" 1
978 1 55 TYR QB 1 55 TYR QD 2.430 . 3.170 2.136 2.120 2.150 . 0 0 "[ . 1 . 2]" 1
979 1 55 TYR HB2 1 56 THR H 3.660 . 5.330 4.284 4.051 4.388 . 0 0 "[ . 1 . 2]" 1
980 1 55 TYR QD 1 56 THR H 3.710 . 5.430 3.740 2.790 4.117 . 0 0 "[ . 1 . 2]" 1
981 1 56 THR H 1 56 THR HB 2.810 . 3.800 2.884 2.691 3.522 . 0 0 "[ . 1 . 2]" 1
982 1 56 THR H 1 56 THR MG 3.350 . 4.750 3.824 3.458 3.924 . 0 0 "[ . 1 . 2]" 1
983 1 56 THR HA 1 56 THR HB 2.890 . 3.930 2.976 2.744 3.033 . 0 0 "[ . 1 . 2]" 1
984 1 56 THR HA 1 56 THR MG 2.370 . 3.070 2.341 2.206 2.441 . 0 0 "[ . 1 . 2]" 1
985 1 56 THR HA 1 57 VAL H 2.140 . 2.710 2.144 2.115 2.160 . 0 0 "[ . 1 . 2]" 1
986 1 56 THR HB 1 56 THR MG 2.230 . 2.850 2.144 2.137 2.150 . 0 0 "[ . 1 . 2]" 1
987 1 56 THR HB 1 57 VAL H 3.830 . 5.670 4.053 3.438 4.310 . 0 0 "[ . 1 . 2]" 1
988 1 56 THR MG 1 57 VAL H 2.620 . 3.480 2.871 2.505 3.466 . 0 0 "[ . 1 . 2]" 1
989 1 56 THR MG 1 58 THR H 4.400 . 6.500 4.198 3.705 5.709 . 0 0 "[ . 1 . 2]" 1
990 1 57 VAL H 1 57 VAL HA 2.750 . 3.690 2.945 2.936 2.951 . 0 0 "[ . 1 . 2]" 1
991 1 57 VAL H 1 57 VAL HB 3.130 . 4.360 3.140 3.103 3.205 . 0 0 "[ . 1 . 2]" 1
992 1 57 VAL H 1 57 VAL MG1 2.460 . 3.220 2.346 2.313 2.389 . 0 0 "[ . 1 . 2]" 1
993 1 57 VAL HA 1 57 VAL HB 2.580 . 3.410 2.490 2.471 2.516 . 0 0 "[ . 1 . 2]" 1
994 1 57 VAL HA 1 57 VAL MG1 3.250 . 4.570 3.258 3.249 3.269 . 0 0 "[ . 1 . 2]" 1
995 1 57 VAL HA 1 57 VAL MG2 2.400 . 3.120 2.340 2.318 2.360 . 0 0 "[ . 1 . 2]" 1
996 1 57 VAL HA 1 58 THR H 2.050 . 2.580 2.110 2.088 2.151 . 0 0 "[ . 1 . 2]" 1
997 1 57 VAL HB 1 57 VAL MG1 2.440 . 3.180 2.127 2.123 2.133 . 0 0 "[ . 1 . 2]" 1
998 1 57 VAL MG1 1 57 VAL MG2 2.110 . 2.660 2.069 2.059 2.090 . 0 0 "[ . 1 . 2]" 1
999 1 57 VAL MG1 1 58 THR H 4.000 . 6.000 4.086 3.929 4.172 . 0 0 "[ . 1 . 2]" 1
1000 1 57 VAL MG2 1 58 THR H 2.960 . 4.050 2.900 2.600 3.151 . 0 0 "[ . 1 . 2]" 1
1001 1 58 THR H 1 58 THR HB 2.610 . 3.460 2.721 2.621 2.878 . 0 0 "[ . 1 . 2]" 1
1002 1 58 THR H 1 58 THR MG 4.230 . 6.460 3.864 3.814 3.931 . 0 0 "[ . 1 . 2]" 1
1003 1 58 THR HA 1 58 THR HB 2.510 . 3.300 3.016 2.997 3.028 . 0 0 "[ . 1 . 2]" 1
1004 1 58 THR HA 1 58 THR MG 2.280 . 2.930 2.297 2.250 2.343 . 0 0 "[ . 1 . 2]" 1
1005 1 58 THR HA 1 59 GLU H 2.080 . 2.620 2.127 2.080 2.171 . 0 0 "[ . 1 . 2]" 1
1006 1 58 THR HB 1 58 THR MG 2.190 . 2.790 2.139 2.129 2.143 . 0 0 "[ . 1 . 2]" 1
1007 1 58 THR MG 1 59 GLU H 2.750 . 3.700 2.773 2.528 3.046 . 0 0 "[ . 1 . 2]" 1
1008 1 59 GLU H 1 59 GLU HA 2.720 . 3.640 2.872 2.810 2.923 . 0 0 "[ . 1 . 2]" 1
1009 1 59 GLU H 1 59 GLU HB2 2.410 . 3.130 2.457 2.387 2.599 . 0 0 "[ . 1 . 2]" 1
1010 1 59 GLU H 1 59 GLU HB3 3.080 . 4.260 3.184 2.554 3.689 . 0 0 "[ . 1 . 2]" 1
1011 1 59 GLU H 1 59 GLU QG 3.780 . 5.560 3.322 2.589 4.035 . 0 0 "[ . 1 . 2]" 1
1012 1 59 GLU H 1 60 GLY H 4.830 . 6.500 4.458 4.038 4.686 . 0 0 "[ . 1 . 2]" 1
1013 1 59 GLU HA 1 59 GLU HB2 2.640 . 3.510 2.823 2.541 3.041 . 0 0 "[ . 1 . 2]" 1
1014 1 59 GLU HA 1 59 GLU HB3 2.600 . 3.450 2.755 2.443 3.030 . 0 0 "[ . 1 . 2]" 1
1015 1 59 GLU HA 1 59 GLU QG 2.830 . 3.830 2.558 2.403 2.803 . 0 0 "[ . 1 . 2]" 1
1016 1 59 GLU HA 1 60 GLY H 2.560 . 3.380 2.328 2.263 2.388 . 0 0 "[ . 1 . 2]" 1
1017 1 59 GLU HB2 1 59 GLU QG 2.240 . 2.870 2.187 2.124 2.281 . 0 0 "[ . 1 . 2]" 1
1018 1 59 GLU HB2 1 60 GLY H 4.710 . 6.500 4.273 3.687 4.679 . 0 0 "[ . 1 . 2]" 1
1019 1 59 GLU HB3 1 59 GLU QG 2.450 . 3.200 2.362 2.141 2.509 . 0 0 "[ . 1 . 2]" 1
1020 1 59 GLU HB3 1 60 GLY H 3.940 . 5.880 3.550 2.608 4.475 . 0 0 "[ . 1 . 2]" 1
1021 1 59 GLU QG 1 60 GLY H 4.100 . 6.210 4.066 3.482 4.602 . 0 0 "[ . 1 . 2]" 1
1022 1 60 GLY H 1 60 GLY HA3 2.890 . 3.930 2.621 2.299 2.959 . 0 0 "[ . 1 . 2]" 1
1023 1 61 SER HA 1 61 SER HB2 2.230 . 2.850 2.725 2.431 3.036 0.186 6 0 "[ . 1 . 2]" 1
1024 1 61 SER HA 1 61 SER HB3 2.500 . 3.280 2.631 2.337 3.033 . 0 0 "[ . 1 . 2]" 1
1025 1 63 GLY H 1 63 GLY QA 3.830 . 5.670 2.288 2.196 2.399 . 0 0 "[ . 1 . 2]" 1
1026 1 64 ALA HA 1 64 ALA MB 2.820 . 3.820 2.129 2.122 2.141 . 0 0 "[ . 1 . 2]" 1
1027 1 66 GLY H 1 66 GLY QA 3.810 . 5.620 2.263 2.202 2.391 . 0 0 "[ . 1 . 2]" 1
1028 1 67 GLN HA 1 67 GLN HB3 2.880 . 3.920 2.793 2.421 3.043 . 0 0 "[ . 1 . 2]" 1
1029 1 68 GLY QA 1 69 MET H 3.340 . 4.730 2.421 2.167 2.865 . 0 0 "[ . 1 . 2]" 1
1030 1 69 MET H 1 69 MET HB2 3.830 . 5.670 3.480 2.640 3.968 . 0 0 "[ . 1 . 2]" 1
1031 1 69 MET HA 1 69 MET HB2 2.770 . 3.730 2.731 2.434 3.041 . 0 0 "[ . 1 . 2]" 1
1032 1 69 MET HA 1 69 MET HB3 2.660 . 3.540 2.597 2.376 3.033 . 0 0 "[ . 1 . 2]" 1
1033 1 69 MET HA 1 70 ILE H 2.400 . 3.120 2.517 2.177 3.111 . 0 0 "[ . 1 . 2]" 1
1034 1 70 ILE H 1 70 ILE HB 2.820 . 3.810 3.049 2.733 3.681 . 0 0 "[ . 1 . 2]" 1
1035 1 70 ILE H 1 70 ILE HG12 3.990 . 5.980 3.837 3.058 5.311 . 0 0 "[ . 1 . 2]" 1
1036 1 70 ILE H 1 70 ILE MG 4.540 . 6.500 3.934 3.310 4.132 . 0 0 "[ . 1 . 2]" 1
1037 1 70 ILE H 1 71 GLN HB2 4.080 . 6.160 5.098 3.827 5.887 . 0 0 "[ . 1 . 2]" 1
1038 1 70 ILE HA 1 70 ILE HB 2.900 . 3.950 3.010 2.666 3.051 . 0 0 "[ . 1 . 2]" 1
1039 1 70 ILE HA 1 70 ILE HG13 3.330 . 4.710 3.129 2.340 3.793 . 0 0 "[ . 1 . 2]" 1
1040 1 70 ILE HA 1 70 ILE MG 2.840 . 3.840 2.532 2.388 3.237 . 0 0 "[ . 1 . 2]" 1
1041 1 70 ILE HA 1 71 GLN H 2.710 . 3.630 2.678 2.251 3.586 . 0 0 "[ . 1 . 2]" 1
1042 1 70 ILE HB 1 70 ILE MG 2.460 . 3.210 2.147 2.139 2.158 . 0 0 "[ . 1 . 2]" 1
1043 1 70 ILE HG12 1 71 GLN H 6.100 . 6.500 4.962 4.207 5.851 . 0 0 "[ . 1 . 2]" 1
1044 1 70 ILE MG 1 71 GLN H 4.070 . 6.140 3.642 3.307 4.270 . 0 0 "[ . 1 . 2]" 1
1045 1 71 GLN H 1 71 GLN HB2 3.530 . 5.090 3.194 2.342 3.821 . 0 0 "[ . 1 . 2]" 1
1046 1 71 GLN H 1 71 GLN HB3 3.300 . 4.660 3.124 2.611 3.732 . 0 0 "[ . 1 . 2]" 1
1047 1 71 GLN H 1 72 GLU HG3 3.860 . 5.720 4.290 2.764 5.860 0.140 13 0 "[ . 1 . 2]" 1
1048 1 71 GLN HA 1 71 GLN HB2 2.580 . 3.410 2.625 2.368 3.026 . 0 0 "[ . 1 . 2]" 1
1049 1 71 GLN HA 1 71 GLN HB3 2.940 . 4.020 2.597 2.332 3.032 . 0 0 "[ . 1 . 2]" 1
1050 1 71 GLN HA 1 71 GLN QG 3.040 . 4.190 2.934 2.338 3.499 . 0 0 "[ . 1 . 2]" 1
1051 1 71 GLN HA 1 72 GLU H 2.360 . 3.060 3.025 2.818 3.109 0.049 12 0 "[ . 1 . 2]" 1
1052 1 72 GLU H 1 72 GLU HB2 2.940 . 4.020 2.819 2.397 3.784 . 0 0 "[ . 1 . 2]" 1
1053 1 72 GLU H 1 72 GLU HB3 3.080 . 4.270 3.422 2.506 3.728 . 0 0 "[ . 1 . 2]" 1
1054 1 72 GLU H 1 72 GLU HG3 3.340 . 4.730 3.180 2.440 3.819 . 0 0 "[ . 1 . 2]" 1
1055 1 72 GLU HA 1 72 GLU HB2 2.570 . 3.400 2.873 2.400 3.034 . 0 0 "[ . 1 . 2]" 1
1056 1 72 GLU HA 1 72 GLU HB3 2.720 . 3.650 2.456 2.304 2.511 . 0 0 "[ . 1 . 2]" 1
1057 1 72 GLU HA 1 72 GLU HG2 2.790 . 3.760 3.218 2.428 3.835 0.075 12 0 "[ . 1 . 2]" 1
1058 1 72 GLU HA 1 73 PRO HD2 2.250 . 2.880 2.400 2.230 2.641 . 0 0 "[ . 1 . 2]" 1
1059 1 72 GLU HA 1 73 PRO HD3 2.300 . 2.960 2.294 2.149 2.618 . 0 0 "[ . 1 . 2]" 1
1060 1 72 GLU HB2 1 72 GLU HG2 2.310 . 2.980 2.781 2.321 3.010 0.030 9 0 "[ . 1 . 2]" 1
1061 1 72 GLU HB2 1 73 PRO HD3 4.250 . 6.500 4.464 3.392 4.984 . 0 0 "[ . 1 . 2]" 1
1062 1 72 GLU HB3 1 73 PRO HD3 4.200 . 6.410 3.867 3.181 4.531 . 0 0 "[ . 1 . 2]" 1
1063 1 73 PRO HA 1 73 PRO HB2 2.510 . 3.300 2.710 2.675 2.765 . 0 0 "[ . 1 . 2]" 1
1064 1 73 PRO HA 1 73 PRO HB3 2.530 . 3.330 2.328 2.285 2.396 . 0 0 "[ . 1 . 2]" 1
1065 1 73 PRO HA 1 73 PRO QG 3.380 . 4.810 3.502 3.462 3.524 . 0 0 "[ . 1 . 2]" 1
1066 1 73 PRO HA 1 73 PRO HG3 3.750 . 5.500 4.052 3.987 4.116 . 0 0 "[ . 1 . 2]" 1
1067 1 73 PRO HA 1 74 ALA H 2.200 . 2.800 2.427 2.232 2.581 . 0 0 "[ . 1 . 2]" 1
1068 1 73 PRO HA 1 74 ALA MB 3.360 . 4.770 4.024 3.824 4.359 . 0 0 "[ . 1 . 2]" 1
1069 1 73 PRO HB2 1 74 ALA H 2.870 . 3.900 2.417 2.003 2.965 . 0 0 "[ . 1 . 2]" 1
1070 1 73 PRO HB3 1 73 PRO HG2 2.800 . 3.780 3.011 2.993 3.018 . 0 0 "[ . 1 . 2]" 1
1071 1 73 PRO HB3 1 74 ALA H 3.860 . 5.730 3.402 3.082 3.831 . 0 0 "[ . 1 . 2]" 1
1072 1 73 PRO HB3 1 74 ALA HA 3.810 . 5.630 5.463 5.347 5.867 0.237 12 0 "[ . 1 . 2]" 1
1073 1 73 PRO HD2 1 73 PRO HG3 2.680 . 3.580 2.721 2.678 2.763 . 0 0 "[ . 1 . 2]" 1
1074 1 73 PRO HD3 1 73 PRO HG3 2.300 . 2.960 2.306 2.280 2.345 . 0 0 "[ . 1 . 2]" 1
1075 1 73 PRO HG2 1 74 ALA H 4.140 . 6.290 4.199 3.824 4.391 . 0 0 "[ . 1 . 2]" 1
1076 1 74 ALA H 1 74 ALA MB 2.300 . 2.960 2.807 2.309 2.966 0.006 3 0 "[ . 1 . 2]" 1
1077 1 74 ALA HA 1 74 ALA MB 2.220 . 2.840 2.128 2.106 2.140 . 0 0 "[ . 1 . 2]" 1
1078 1 74 ALA HA 1 75 LEU H 2.070 . 2.600 2.468 2.102 2.699 0.099 10 0 "[ . 1 . 2]" 1
1079 1 74 ALA MB 1 75 LEU H 2.630 . 3.500 2.336 1.778 3.421 . 0 0 "[ . 1 . 2]" 1
1080 1 75 LEU H 1 75 LEU HB2 2.130 . 2.700 2.376 2.201 2.476 . 0 0 "[ . 1 . 2]" 1
1081 1 75 LEU H 1 75 LEU HB3 3.130 . 4.360 3.594 3.483 3.652 . 0 0 "[ . 1 . 2]" 1
1082 1 75 LEU H 1 75 LEU MD1 3.640 . 5.290 3.650 3.157 3.978 . 0 0 "[ . 1 . 2]" 1
1083 1 75 LEU H 1 75 LEU HG 3.730 . 5.470 4.142 3.844 4.309 . 0 0 "[ . 1 . 2]" 1
1084 1 75 LEU H 1 76 PRO HD2 5.250 . 6.500 5.319 5.013 5.469 . 0 0 "[ . 1 . 2]" 1
1085 1 75 LEU H 1 76 PRO HD3 4.720 . 6.500 4.688 4.341 4.946 . 0 0 "[ . 1 . 2]" 1
1086 1 75 LEU HA 1 75 LEU HB2 2.790 . 3.760 3.003 2.963 3.028 . 0 0 "[ . 1 . 2]" 1
1087 1 75 LEU HA 1 75 LEU HB3 2.600 . 3.440 2.562 2.494 2.663 . 0 0 "[ . 1 . 2]" 1
1088 1 75 LEU HA 1 75 LEU MD1 2.290 . 2.940 1.925 1.807 1.986 . 0 0 "[ . 1 . 2]" 1
1089 1 75 LEU HA 1 76 PRO HD2 3.090 . 4.280 2.820 2.402 3.217 . 0 0 "[ . 1 . 2]" 1
1090 1 75 LEU HA 1 76 PRO HD3 2.160 . 2.740 2.014 1.919 2.270 . 0 0 "[ . 1 . 2]" 1
1091 1 75 LEU HB2 1 75 LEU MD1 3.960 . 5.920 3.195 3.182 3.206 . 0 0 "[ . 1 . 2]" 1
1092 1 75 LEU HB2 1 75 LEU HG 1.990 . 2.490 2.479 2.402 2.500 0.010 16 0 "[ . 1 . 2]" 1
1093 1 75 LEU HB2 1 76 PRO HD2 3.800 . 5.600 4.409 3.938 4.793 . 0 0 "[ . 1 . 2]" 1
1094 1 75 LEU HB2 1 76 PRO HD3 3.940 . 5.880 4.599 4.194 4.780 . 0 0 "[ . 1 . 2]" 1
1095 1 75 LEU HB2 1 79 TRP HB2 3.910 . 5.820 4.432 4.203 4.580 . 0 0 "[ . 1 . 2]" 1
1096 1 75 LEU HB2 1 79 TRP HB3 4.680 . 6.500 5.072 4.683 5.172 . 0 0 "[ . 1 . 2]" 1
1097 1 75 LEU HB3 1 75 LEU MD1 2.570 . 3.400 2.431 2.331 2.474 . 0 0 "[ . 1 . 2]" 1
1098 1 75 LEU HB3 1 75 LEU HG 2.810 . 3.800 2.380 2.347 2.468 . 0 0 "[ . 1 . 2]" 1
1099 1 75 LEU HB3 1 76 PRO HD2 2.670 . 3.560 2.916 2.404 3.522 . 0 0 "[ . 1 . 2]" 1
1100 1 75 LEU HB3 1 76 PRO HD3 3.240 . 4.550 3.571 2.891 4.007 . 0 0 "[ . 1 . 2]" 1
1101 1 75 LEU HB3 1 79 TRP H 4.130 . 6.260 4.203 3.962 4.560 . 0 0 "[ . 1 . 2]" 1
1102 1 75 LEU HB3 1 79 TRP HB2 2.700 . 3.610 2.818 2.692 2.964 . 0 0 "[ . 1 . 2]" 1
1103 1 75 LEU HB3 1 79 TRP HB3 3.240 . 4.560 3.439 3.247 3.627 . 0 0 "[ . 1 . 2]" 1
1104 1 75 LEU MD1 1 75 LEU HG 2.100 . 2.650 2.122 2.118 2.128 . 0 0 "[ . 1 . 2]" 1
1105 1 75 LEU MD1 1 76 PRO HD2 3.200 . 4.480 2.904 2.405 3.371 . 0 0 "[ . 1 . 2]" 1
1106 1 75 LEU MD1 1 76 PRO HD3 2.930 . 4.000 2.873 2.423 3.249 . 0 0 "[ . 1 . 2]" 1
1107 1 75 LEU MD1 1 79 TRP HB2 4.220 . 6.440 3.451 2.405 4.401 . 0 0 "[ . 1 . 2]" 1
1108 1 75 LEU MD1 1 79 TRP HB3 3.550 . 5.120 3.014 1.833 4.206 0.147 7 0 "[ . 1 . 2]" 1
1109 1 75 LEU MD1 1 79 TRP HE3 4.260 . 6.500 4.359 3.427 5.543 . 0 0 "[ . 1 . 2]" 1
1110 1 75 LEU MD1 1 81 MET HB2 2.640 . 3.510 2.331 1.798 3.114 . 0 0 "[ . 1 . 2]" 1
1111 1 75 LEU HG 1 79 TRP HB2 4.150 . 6.300 4.581 4.245 4.869 . 0 0 "[ . 1 . 2]" 1
1112 1 75 LEU HG 1 79 TRP HB3 3.380 . 4.810 4.300 3.902 4.701 . 0 0 "[ . 1 . 2]" 1
1113 1 75 LEU HG 1 80 GLU HA 2.550 . 3.360 3.172 2.449 3.380 0.020 3 0 "[ . 1 . 2]" 1
1114 1 75 LEU HG 1 81 MET H 2.770 . 3.730 3.072 2.590 3.542 . 0 0 "[ . 1 . 2]" 1
1115 1 75 LEU HG 1 81 MET HB2 3.030 . 4.180 2.732 2.233 3.162 . 0 0 "[ . 1 . 2]" 1
1116 1 75 LEU HG 1 81 MET HB3 2.780 . 3.750 3.159 2.734 3.528 . 0 0 "[ . 1 . 2]" 1
1117 1 76 PRO HA 1 76 PRO HB3 2.420 . 3.150 2.337 2.299 2.374 . 0 0 "[ . 1 . 2]" 1
1118 1 76 PRO HA 1 77 PRO HD2 2.800 . 3.780 2.605 2.427 2.798 . 0 0 "[ . 1 . 2]" 1
1119 1 76 PRO HA 1 77 PRO HD3 2.130 . 2.700 2.243 1.958 2.669 . 0 0 "[ . 1 . 2]" 1
1120 1 76 PRO HA 1 77 PRO HG3 4.800 . 6.500 4.407 4.151 4.810 . 0 0 "[ . 1 . 2]" 1
1121 1 76 PRO HB2 1 77 PRO HD2 3.080 . 4.260 3.219 2.234 3.694 . 0 0 "[ . 1 . 2]" 1
1122 1 76 PRO HB2 1 77 PRO HD3 3.780 . 5.560 4.218 3.668 4.659 . 0 0 "[ . 1 . 2]" 1
1123 1 76 PRO HB2 1 79 TRP H 4.150 . 6.310 3.848 3.523 4.898 . 0 0 "[ . 1 . 2]" 1
1124 1 76 PRO HB2 1 79 TRP HE1 3.580 . 5.180 3.744 3.470 3.976 . 0 0 "[ . 1 . 2]" 1
1125 1 76 PRO HB3 1 76 PRO HD2 3.920 . 5.840 3.888 3.848 3.981 . 0 0 "[ . 1 . 2]" 1
1126 1 76 PRO HB3 1 76 PRO HD3 4.080 . 6.160 3.999 3.141 4.105 . 0 0 "[ . 1 . 2]" 1
1127 1 76 PRO HB3 1 77 PRO HD2 2.770 . 3.730 2.680 1.998 3.500 . 0 0 "[ . 1 . 2]" 1
1128 1 76 PRO HB3 1 77 PRO HD3 3.680 . 5.370 3.644 3.232 4.063 . 0 0 "[ . 1 . 2]" 1
1129 1 76 PRO HB3 1 79 TRP HD1 4.480 . 6.500 3.812 3.521 4.392 . 0 0 "[ . 1 . 2]" 1
1130 1 76 PRO HB3 1 79 TRP HE1 4.660 . 6.500 4.922 4.625 5.084 . 0 0 "[ . 1 . 2]" 1
1131 1 76 PRO HD2 1 76 PRO HG2 2.640 . 3.510 2.371 2.269 2.407 . 0 0 "[ . 1 . 2]" 1
1132 1 76 PRO HD3 1 76 PRO HG2 2.990 . 4.110 2.720 2.671 2.974 . 0 0 "[ . 1 . 2]" 1
1133 1 76 PRO HD3 1 76 PRO HG3 2.490 . 3.270 2.344 2.288 2.372 . 0 0 "[ . 1 . 2]" 1
1134 1 76 PRO HD3 1 79 TRP HD1 3.630 . 5.280 5.110 4.916 6.128 0.848 4 2 "[ +.- 1 . 2]" 1
1135 1 77 PRO HA 1 77 PRO HB3 2.340 . 3.030 2.345 2.312 2.372 . 0 0 "[ . 1 . 2]" 1
1136 1 77 PRO HA 1 77 PRO HG2 3.080 . 4.270 3.804 3.766 3.834 . 0 0 "[ . 1 . 2]" 1
1137 1 77 PRO HA 1 78 GLY H 2.570 . 3.400 2.144 2.125 2.186 . 0 0 "[ . 1 . 2]" 1
1138 1 77 PRO HA 1 79 TRP H 3.500 . 5.030 3.655 3.504 3.799 . 0 0 "[ . 1 . 2]" 1
1139 1 77 PRO HB2 1 78 GLY H 4.970 . 6.500 3.868 3.450 4.132 . 0 0 "[ . 1 . 2]" 1
1140 1 77 PRO HB3 1 77 PRO HD2 3.410 . 4.860 3.863 3.817 3.925 . 0 0 "[ . 1 . 2]" 1
1141 1 77 PRO HB3 1 77 PRO HD3 3.190 . 4.460 3.645 2.772 4.109 . 0 0 "[ . 1 . 2]" 1
1142 1 77 PRO HB3 1 77 PRO HG2 2.150 . 2.730 2.743 2.599 2.997 0.267 10 0 "[ . 1 . 2]" 1
1143 1 77 PRO HB3 1 78 GLY H 4.360 . 6.500 3.722 3.450 4.024 . 0 0 "[ . 1 . 2]" 1
1144 1 77 PRO HD2 1 77 PRO HG2 2.430 . 3.170 2.367 2.336 2.388 . 0 0 "[ . 1 . 2]" 1
1145 1 77 PRO HD3 1 77 PRO HG2 2.550 . 3.360 2.823 2.697 3.039 . 0 0 "[ . 1 . 2]" 1
1146 1 77 PRO HD3 1 77 PRO HG3 2.590 . 3.430 2.341 2.313 2.375 . 0 0 "[ . 1 . 2]" 1
1147 1 77 PRO HG2 1 78 GLY H 5.080 . 6.500 5.354 4.792 5.685 . 0 0 "[ . 1 . 2]" 1
1148 1 78 GLY H 1 79 TRP H 3.270 . 4.610 2.894 2.836 2.930 . 0 0 "[ . 1 . 2]" 1
1149 1 78 GLY HA2 1 79 TRP H 3.710 . 5.430 3.487 3.334 3.529 . 0 0 "[ . 1 . 2]" 1
1150 1 78 GLY HA2 1 94 HIS HB2 3.880 . 5.760 3.872 2.320 5.232 . 0 0 "[ . 1 . 2]" 1
1151 1 78 GLY HA3 1 79 TRP H 3.200 . 4.480 3.095 2.989 3.385 . 0 0 "[ . 1 . 2]" 1
1152 1 79 TRP H 1 79 TRP HB2 2.490 . 3.270 2.416 2.395 2.445 . 0 0 "[ . 1 . 2]" 1
1153 1 79 TRP H 1 79 TRP HB3 3.720 . 5.450 3.644 3.628 3.659 . 0 0 "[ . 1 . 2]" 1
1154 1 79 TRP H 1 79 TRP HD1 2.920 . 3.990 2.693 2.561 2.856 . 0 0 "[ . 1 . 2]" 1
1155 1 79 TRP H 1 79 TRP HE1 5.250 . 6.500 5.094 4.984 5.264 . 0 0 "[ . 1 . 2]" 1
1156 1 79 TRP H 1 80 GLU H 4.380 . 6.500 4.563 4.380 4.616 . 0 0 "[ . 1 . 2]" 1
1157 1 79 TRP HA 1 79 TRP HB3 2.820 . 3.810 2.549 2.527 2.565 . 0 0 "[ . 1 . 2]" 1
1158 1 79 TRP HA 1 79 TRP HE3 3.910 . 5.820 3.500 3.417 3.632 . 0 0 "[ . 1 . 2]" 1
1159 1 79 TRP HA 1 80 GLU H 2.430 . 3.170 2.241 2.206 2.300 . 0 0 "[ . 1 . 2]" 1
1160 1 79 TRP HA 1 93 ASP HA 2.730 . 3.660 3.171 2.801 3.684 0.024 10 0 "[ . 1 . 2]" 1
1161 1 79 TRP HA 1 94 HIS H 3.140 . 4.370 3.383 3.156 3.954 . 0 0 "[ . 1 . 2]" 1
1162 1 79 TRP HB2 1 79 TRP HD1 3.410 . 4.870 2.745 2.721 2.796 . 0 0 "[ . 1 . 2]" 1
1163 1 79 TRP HB2 1 80 GLU H 4.240 . 6.490 4.216 4.058 4.465 . 0 0 "[ . 1 . 2]" 1
1164 1 79 TRP HB3 1 79 TRP HE3 2.800 . 3.780 2.495 2.457 2.545 . 0 0 "[ . 1 . 2]" 1
1165 1 79 TRP HB3 1 80 GLU H 3.140 . 4.370 3.171 2.948 3.633 . 0 0 "[ . 1 . 2]" 1
1166 1 79 TRP HE3 1 80 GLU H 3.980 . 5.960 3.882 3.644 4.387 . 0 0 "[ . 1 . 2]" 1
1167 1 79 TRP HE3 1 91 PHE HA 5.050 . 6.500 5.074 4.748 5.436 . 0 0 "[ . 1 . 2]" 1
1168 1 79 TRP HE3 1 91 PHE HB2 3.460 . 4.960 4.239 4.036 4.335 . 0 0 "[ . 1 . 2]" 1
1169 1 79 TRP HE3 1 91 PHE HB3 2.960 . 4.060 2.904 2.686 3.012 . 0 0 "[ . 1 . 2]" 1
1170 1 79 TRP HE3 1 92 VAL H 4.350 . 6.500 4.299 3.788 4.575 . 0 0 "[ . 1 . 2]" 1
1171 1 79 TRP HE3 1 92 VAL MG2 4.540 . 6.500 6.325 5.866 6.514 0.014 20 0 "[ . 1 . 2]" 1
1172 1 79 TRP HE3 1 100 THR MG 3.360 . 4.770 4.308 3.908 4.537 . 0 0 "[ . 1 . 2]" 1
1173 1 79 TRP HH2 1 100 THR MG 2.790 . 3.760 3.750 3.705 3.776 0.016 10 0 "[ . 1 . 2]" 1
1174 1 79 TRP HZ3 1 91 PHE HB2 3.010 . 4.140 3.714 3.406 4.036 . 0 0 "[ . 1 . 2]" 1
1175 1 79 TRP HZ3 1 91 PHE HB3 3.180 . 4.450 3.373 3.027 4.055 . 0 0 "[ . 1 . 2]" 1
1176 1 79 TRP HZ3 1 100 THR MG 2.450 . 3.200 2.877 2.554 3.103 . 0 0 "[ . 1 . 2]" 1
1177 1 80 GLU H 1 80 GLU HB2 2.790 . 3.760 2.717 2.384 3.270 . 0 0 "[ . 1 . 2]" 1
1178 1 80 GLU H 1 92 VAL H 2.940 . 4.020 2.951 2.686 3.158 . 0 0 "[ . 1 . 2]" 1
1179 1 80 GLU H 1 92 VAL HB 3.490 . 5.020 3.318 2.910 3.866 . 0 0 "[ . 1 . 2]" 1
1180 1 80 GLU H 1 92 VAL MG1 4.530 . 6.500 4.296 3.992 4.901 . 0 0 "[ . 1 . 2]" 1
1181 1 80 GLU H 1 92 VAL MG2 4.580 . 6.500 4.462 4.115 4.764 . 0 0 "[ . 1 . 2]" 1
1182 1 80 GLU H 1 93 ASP HA 3.670 . 5.360 3.962 3.453 4.455 . 0 0 "[ . 1 . 2]" 1
1183 1 80 GLU HA 1 80 GLU HB2 2.790 . 3.770 2.868 2.445 3.034 . 0 0 "[ . 1 . 2]" 1
1184 1 80 GLU HA 1 81 MET H 2.290 . 2.940 2.257 2.146 2.391 . 0 0 "[ . 1 . 2]" 1
1185 1 80 GLU HB2 1 92 VAL H 3.820 . 5.640 3.769 3.094 5.091 . 0 0 "[ . 1 . 2]" 1
1186 1 80 GLU HB2 1 92 VAL HB 2.510 . 3.300 2.298 1.720 3.478 0.178 17 0 "[ . 1 . 2]" 1
1187 1 80 GLU HB2 1 92 VAL MG1 3.730 . 5.470 3.494 2.940 4.160 . 0 0 "[ . 1 . 2]" 1
1188 1 80 GLU HB2 1 92 VAL MG2 3.400 . 4.850 3.550 2.686 4.779 . 0 0 "[ . 1 . 2]" 1
1189 1 80 GLU HB3 1 81 MET H 3.010 . 4.150 3.187 2.683 3.992 . 0 0 "[ . 1 . 2]" 1
1190 1 80 GLU HG2 1 81 MET H 3.810 . 5.620 3.965 1.890 4.834 0.110 11 0 "[ . 1 . 2]" 1
1191 1 81 MET H 1 81 MET HA 2.970 . 4.070 2.937 2.919 2.952 . 0 0 "[ . 1 . 2]" 1
1192 1 81 MET H 1 81 MET HB2 2.610 . 3.460 3.067 2.853 3.406 . 0 0 "[ . 1 . 2]" 1
1193 1 81 MET H 1 81 MET HB3 2.740 . 3.680 2.672 2.351 2.845 . 0 0 "[ . 1 . 2]" 1
1194 1 81 MET H 1 81 MET HG2 4.040 . 6.080 4.525 3.997 4.699 . 0 0 "[ . 1 . 2]" 1
1195 1 81 MET H 1 81 MET HG3 4.450 . 6.500 4.837 4.568 5.053 . 0 0 "[ . 1 . 2]" 1
1196 1 81 MET H 1 82 LYS QG 2.840 . 3.850 3.506 3.258 3.802 . 0 0 "[ . 1 . 2]" 1
1197 1 81 MET HA 1 81 MET HG2 2.390 . 3.110 2.734 2.396 3.489 0.379 7 0 "[ . 1 . 2]" 1
1198 1 81 MET HA 1 81 MET HG3 3.220 . 4.520 3.248 2.510 3.668 . 0 0 "[ . 1 . 2]" 1
1199 1 81 MET HA 1 82 LYS H 2.340 . 3.020 2.226 2.199 2.262 . 0 0 "[ . 1 . 2]" 1
1200 1 81 MET HA 1 91 PHE HA 2.470 . 3.230 2.784 2.560 3.224 . 0 0 "[ . 1 . 2]" 1
1201 1 81 MET HA 1 92 VAL H 3.830 . 5.670 3.713 3.289 4.201 . 0 0 "[ . 1 . 2]" 1
1202 1 81 MET HB2 1 82 LYS H 3.970 . 5.940 4.285 3.981 4.471 . 0 0 "[ . 1 . 2]" 1
1203 1 81 MET HB2 1 91 PHE QD 3.100 . 4.300 3.534 2.432 4.057 . 0 0 "[ . 1 . 2]" 1
1204 1 81 MET HB2 1 91 PHE QE 2.890 . 3.930 3.118 1.949 3.921 . 0 0 "[ . 1 . 2]" 1
1205 1 81 MET HB3 1 81 MET HG2 2.450 . 3.200 2.781 2.373 3.012 . 0 0 "[ . 1 . 2]" 1
1206 1 81 MET HB3 1 81 MET HG3 2.300 . 2.960 2.737 2.511 3.021 0.061 14 0 "[ . 1 . 2]" 1
1207 1 81 MET HB3 1 82 LYS H 4.420 . 6.500 4.180 3.986 4.401 . 0 0 "[ . 1 . 2]" 1
1208 1 81 MET HG2 1 82 LYS H 2.760 . 3.710 3.104 2.764 3.560 . 0 0 "[ . 1 . 2]" 1
1209 1 81 MET HG2 1 89 ARG HG3 3.430 . 4.900 3.764 2.569 4.944 0.044 10 0 "[ . 1 . 2]" 1
1210 1 81 MET HG2 1 91 PHE HA 3.680 . 5.370 4.610 3.482 5.980 0.610 8 3 "[ . -+ 1 * . 2]" 1
1211 1 81 MET HG2 1 91 PHE QE 3.600 . 5.220 3.802 3.068 5.254 0.034 8 0 "[ . 1 . 2]" 1
1212 1 81 MET HG3 1 82 LYS H 3.820 . 5.640 3.973 2.712 4.816 . 0 0 "[ . 1 . 2]" 1
1213 1 82 LYS H 1 82 LYS HB2 3.400 . 4.850 3.088 2.905 3.959 . 0 0 "[ . 1 . 2]" 1
1214 1 82 LYS H 1 82 LYS HB3 3.510 . 5.050 3.952 3.819 3.990 . 0 0 "[ . 1 . 2]" 1
1215 1 82 LYS H 1 82 LYS QG 3.390 . 4.830 3.092 2.715 3.484 . 0 0 "[ . 1 . 2]" 1
1216 1 82 LYS H 1 90 TYR H 2.980 . 4.090 3.495 2.987 3.978 . 0 0 "[ . 1 . 2]" 1
1217 1 82 LYS H 1 91 PHE HA 3.440 . 4.920 3.459 3.207 3.862 . 0 0 "[ . 1 . 2]" 1
1218 1 82 LYS HA 1 82 LYS HB2 2.780 . 3.740 2.999 2.658 3.045 . 0 0 "[ . 1 . 2]" 1
1219 1 82 LYS HA 1 82 LYS HB3 2.620 . 3.480 2.441 2.304 2.567 . 0 0 "[ . 1 . 2]" 1
1220 1 82 LYS HA 1 82 LYS QD 3.670 . 5.350 4.017 2.840 4.268 . 0 0 "[ . 1 . 2]" 1
1221 1 82 LYS HA 1 82 LYS QG 2.820 . 3.810 2.628 2.406 3.338 . 0 0 "[ . 1 . 2]" 1
1222 1 82 LYS HA 1 83 TYR H 2.380 . 3.090 2.386 2.335 2.470 . 0 0 "[ . 1 . 2]" 1
1223 1 82 LYS HB2 1 82 LYS QE 3.930 . 5.860 3.610 2.016 4.487 . 0 0 "[ . 1 . 2]" 1
1224 1 82 LYS HB2 1 82 LYS QG 3.380 . 3.650 2.354 2.138 2.508 . 0 0 "[ . 1 . 2]" 1
1225 1 82 LYS HB2 1 83 TYR H 2.930 . 4.000 3.556 2.614 3.884 . 0 0 "[ . 1 . 2]" 1
1226 1 82 LYS HB2 1 90 TYR QE 3.380 . 4.810 3.248 3.056 3.826 . 0 0 "[ . 1 . 2]" 1
1227 1 82 LYS HB3 1 82 LYS QD 2.980 . 4.090 2.461 2.177 3.279 . 0 0 "[ . 1 . 2]" 1
1228 1 82 LYS HB3 1 82 LYS QG 3.210 . 3.480 2.333 2.198 2.509 . 0 0 "[ . 1 . 2]" 1
1229 1 82 LYS HB3 1 83 TYR H 2.900 . 3.950 2.725 2.556 3.595 . 0 0 "[ . 1 . 2]" 1
1230 1 82 LYS HB3 1 90 TYR QE 4.070 . 6.140 3.808 3.316 5.098 . 0 0 "[ . 1 . 2]" 1
1231 1 82 LYS QD 1 82 LYS HE3 2.570 . 3.400 2.266 2.170 2.444 . 0 0 "[ . 1 . 2]" 1
1232 1 82 LYS QD 1 90 TYR QE 3.360 . 4.770 3.629 3.015 4.666 . 0 0 "[ . 1 . 2]" 1
1233 1 82 LYS HE2 1 82 LYS QG 3.060 . 4.230 2.567 2.245 3.478 . 0 0 "[ . 1 . 2]" 1
1234 1 82 LYS HE2 1 92 VAL MG1 3.470 . 4.980 4.087 2.819 4.966 . 0 0 "[ . 1 . 2]" 1
1235 1 82 LYS HE3 1 82 LYS QG 3.270 . 4.610 2.893 2.291 3.338 . 0 0 "[ . 1 . 2]" 1
1236 1 82 LYS HE3 1 92 VAL MG1 3.560 . 5.150 4.335 3.250 4.972 . 0 0 "[ . 1 . 2]" 1
1237 1 83 TYR H 1 83 TYR HB2 2.720 . 3.640 2.522 2.447 2.701 . 0 0 "[ . 1 . 2]" 1
1238 1 83 TYR H 1 83 TYR HB3 3.950 . 5.900 3.722 3.675 3.817 . 0 0 "[ . 1 . 2]" 1
1239 1 83 TYR H 1 83 TYR QD 3.000 . 4.130 2.746 2.586 3.080 . 0 0 "[ . 1 . 2]" 1
1240 1 83 TYR H 1 84 THR H 5.180 . 6.500 4.526 4.465 4.576 . 0 0 "[ . 1 . 2]" 1
1241 1 83 TYR HA 1 83 TYR HB3 2.680 . 3.580 2.544 2.463 2.605 . 0 0 "[ . 1 . 2]" 1
1242 1 83 TYR HA 1 83 TYR QD 3.130 . 4.350 2.993 2.755 3.163 . 0 0 "[ . 1 . 2]" 1
1243 1 83 TYR HA 1 84 THR H 2.310 . 2.980 2.303 2.258 2.381 . 0 0 "[ . 1 . 2]" 1
1244 1 83 TYR HA 1 84 THR MG 3.690 . 5.390 3.502 3.336 3.763 . 0 0 "[ . 1 . 2]" 1
1245 1 83 TYR HA 1 89 ARG HA 2.510 . 3.300 2.558 2.150 3.058 . 0 0 "[ . 1 . 2]" 1
1246 1 83 TYR HA 1 90 TYR H 3.380 . 4.810 3.117 2.929 3.328 . 0 0 "[ . 1 . 2]" 1
1247 1 83 TYR HA 1 90 TYR QD 3.170 . 4.420 3.153 2.879 3.720 . 0 0 "[ . 1 . 2]" 1
1248 1 83 TYR HB2 1 83 TYR QD 2.790 . 3.770 2.444 2.326 2.717 . 0 0 "[ . 1 . 2]" 1
1249 1 83 TYR HB2 1 84 THR H 4.270 . 6.500 3.906 3.716 4.077 . 0 0 "[ . 1 . 2]" 1
1250 1 83 TYR HB3 1 83 TYR QD 2.790 . 3.760 2.378 2.263 2.491 . 0 0 "[ . 1 . 2]" 1
1251 1 83 TYR HB3 1 84 THR H 3.030 . 4.180 2.737 2.512 2.951 . 0 0 "[ . 1 . 2]" 1
1252 1 83 TYR HB3 1 87 GLY HA2 3.400 . 4.840 3.125 2.016 3.885 . 0 0 "[ . 1 . 2]" 1
1253 1 83 TYR HB3 1 87 GLY HA3 4.350 . 6.500 4.794 3.591 5.530 . 0 0 "[ . 1 . 2]" 1
1254 1 83 TYR QD 1 84 THR MG 4.070 . 6.140 5.128 4.868 5.398 . 0 0 "[ . 1 . 2]" 1
1255 1 83 TYR QD 1 87 GLY HA2 3.730 . 5.460 3.368 2.249 4.483 . 0 0 "[ . 1 . 2]" 1
1256 1 83 TYR QD 1 87 GLY HA3 4.250 . 6.500 4.530 3.235 5.807 . 0 0 "[ . 1 . 2]" 1
1257 1 83 TYR QE 1 89 ARG HB2 3.030 . 4.180 3.130 2.474 3.682 . 0 0 "[ . 1 . 2]" 1
1258 1 83 TYR QE 1 89 ARG HB3 4.330 . 6.500 4.545 3.253 4.984 . 0 0 "[ . 1 . 2]" 1
1259 1 84 THR H 1 84 THR MG 2.370 . 3.070 2.170 2.069 2.442 . 0 0 "[ . 1 . 2]" 1
1260 1 84 THR H 1 87 GLY H 4.040 . 6.080 3.938 3.853 4.102 . 0 0 "[ . 1 . 2]" 1
1261 1 84 THR H 1 88 VAL H 2.980 . 4.090 3.105 2.707 3.811 . 0 0 "[ . 1 . 2]" 1
1262 1 84 THR H 1 88 VAL HB 3.950 . 5.900 3.565 3.325 3.856 . 0 0 "[ . 1 . 2]" 1
1263 1 84 THR H 1 88 VAL MG1 4.540 . 6.500 4.269 4.079 4.417 . 0 0 "[ . 1 . 2]" 1
1264 1 84 THR H 1 88 VAL MG2 4.960 . 6.500 4.657 4.467 4.986 . 0 0 "[ . 1 . 2]" 1
1265 1 84 THR H 1 89 ARG H 4.280 . 6.500 4.894 4.739 5.156 . 0 0 "[ . 1 . 2]" 1
1266 1 84 THR H 1 89 ARG HA 3.560 . 5.140 3.793 3.106 4.054 . 0 0 "[ . 1 . 2]" 1
1267 1 84 THR H 1 90 TYR H 4.770 . 6.500 4.461 4.218 4.662 . 0 0 "[ . 1 . 2]" 1
1268 1 84 THR H 1 90 TYR QD 3.440 . 4.920 3.180 2.897 3.608 . 0 0 "[ . 1 . 2]" 1
1269 1 84 THR H 1 90 TYR QE 3.660 . 5.340 3.550 3.125 4.163 . 0 0 "[ . 1 . 2]" 1
1270 1 84 THR HA 1 86 GLU H 4.160 . 6.320 3.245 3.162 3.394 . 0 0 "[ . 1 . 2]" 1
1271 1 84 THR HB 1 84 THR MG 2.340 . 3.030 2.128 2.123 2.137 . 0 0 "[ . 1 . 2]" 1
1272 1 84 THR HB 1 86 GLU H 4.360 . 6.500 3.371 3.311 3.460 . 0 0 "[ . 1 . 2]" 1
1273 1 84 THR HB 1 88 VAL HB 4.190 . 6.380 3.979 3.779 4.461 . 0 0 "[ . 1 . 2]" 1
1274 1 84 THR HB 1 90 TYR QE 4.290 . 6.500 4.492 4.176 4.695 . 0 0 "[ . 1 . 2]" 1
1275 1 84 THR MG 1 86 GLU H 5.390 . 6.500 4.244 4.069 4.648 . 0 0 "[ . 1 . 2]" 1
1276 1 84 THR MG 1 87 GLY H 5.060 . 6.500 4.840 4.698 4.980 . 0 0 "[ . 1 . 2]" 1
1277 1 84 THR MG 1 88 VAL H 3.630 . 5.280 3.653 3.380 4.050 . 0 0 "[ . 1 . 2]" 1
1278 1 84 THR MG 1 88 VAL HB 2.460 . 3.220 2.488 2.393 2.760 . 0 0 "[ . 1 . 2]" 1
1279 1 84 THR MG 1 90 TYR QD 2.550 . 3.360 2.024 1.935 2.139 . 0 0 "[ . 1 . 2]" 1
1280 1 84 THR MG 1 90 TYR QE 2.810 . 3.800 2.621 2.477 2.965 . 0 0 "[ . 1 . 2]" 1
1281 1 84 THR MG 1 101 PHE QE 3.350 . 4.750 3.831 3.618 3.980 . 0 0 "[ . 1 . 2]" 1
1282 1 85 SER HA 1 85 SER HB2 2.220 . 2.830 2.686 2.485 2.965 0.135 19 0 "[ . 1 . 2]" 1
1283 1 85 SER HA 1 85 SER HB3 2.210 . 2.820 2.374 2.236 2.968 0.148 14 0 "[ . 1 . 2]" 1
1284 1 86 GLU H 1 86 GLU HB3 3.970 . 5.940 3.498 2.618 3.845 . 0 0 "[ . 1 . 2]" 1
1285 1 86 GLU H 1 86 GLU HG2 4.280 . 6.500 3.803 2.057 4.879 . 0 0 "[ . 1 . 2]" 1
1286 1 86 GLU H 1 86 GLU HG3 3.210 . 4.500 3.516 2.597 4.693 0.193 2 0 "[ . 1 . 2]" 1
1287 1 86 GLU H 1 88 VAL MG2 4.980 . 6.500 3.958 3.871 4.116 . 0 0 "[ . 1 . 2]" 1
1288 1 86 GLU HA 1 86 GLU HB2 2.350 . 3.040 2.909 2.504 3.046 0.006 4 0 "[ . 1 . 2]" 1
1289 1 86 GLU HA 1 86 GLU HB3 2.690 . 3.600 2.596 2.406 3.041 . 0 0 "[ . 1 . 2]" 1
1290 1 86 GLU HA 1 86 GLU HG2 2.840 . 3.850 3.055 2.447 3.735 . 0 0 "[ . 1 . 2]" 1
1291 1 86 GLU HA 1 86 GLU HG3 2.960 . 4.050 3.056 2.492 3.913 . 0 0 "[ . 1 . 2]" 1
1292 1 86 GLU HA 1 87 GLY H 3.230 . 4.540 3.224 3.115 3.284 . 0 0 "[ . 1 . 2]" 1
1293 1 86 GLU HB2 1 87 GLY H 3.680 . 5.380 3.825 3.535 4.377 . 0 0 "[ . 1 . 2]" 1
1294 1 86 GLU HB3 1 87 GLY H 4.250 . 6.500 4.197 3.489 4.495 . 0 0 "[ . 1 . 2]" 1
1295 1 86 GLU HB3 1 88 VAL H 4.010 . 6.020 4.157 2.848 5.007 . 0 0 "[ . 1 . 2]" 1
1296 1 86 GLU HB3 1 88 VAL MG2 3.380 . 4.810 3.108 2.214 4.373 . 0 0 "[ . 1 . 2]" 1
1297 1 87 GLY H 1 87 GLY HA2 2.530 . 3.330 2.331 2.303 2.368 . 0 0 "[ . 1 . 2]" 1
1298 1 87 GLY H 1 87 GLY HA3 2.810 . 3.800 2.897 2.861 2.926 . 0 0 "[ . 1 . 2]" 1
1299 1 87 GLY H 1 88 VAL H 2.650 . 3.530 2.461 2.403 2.602 . 0 0 "[ . 1 . 2]" 1
1300 1 87 GLY H 1 88 VAL MG2 3.350 . 4.750 4.082 3.912 4.362 . 0 0 "[ . 1 . 2]" 1
1301 1 87 GLY HA2 1 88 VAL H 2.970 . 4.080 3.155 3.024 3.392 . 0 0 "[ . 1 . 2]" 1
1302 1 87 GLY HA3 1 88 VAL H 3.450 . 4.940 3.393 3.149 3.496 . 0 0 "[ . 1 . 2]" 1
1303 1 87 GLY HA3 1 88 VAL MG2 3.650 . 5.320 4.265 3.932 4.553 . 0 0 "[ . 1 . 2]" 1
1304 1 88 VAL H 1 88 VAL HA 2.990 . 4.110 2.899 2.840 2.942 . 0 0 "[ . 1 . 2]" 1
1305 1 88 VAL H 1 88 VAL HB 2.440 . 3.180 2.506 2.438 2.633 . 0 0 "[ . 1 . 2]" 1
1306 1 88 VAL H 1 88 VAL MG1 4.120 . 6.250 3.790 3.764 3.846 . 0 0 "[ . 1 . 2]" 1
1307 1 88 VAL H 1 88 VAL MG2 2.480 . 3.250 2.369 2.228 2.496 . 0 0 "[ . 1 . 2]" 1
1308 1 88 VAL H 1 89 ARG H 4.620 . 6.500 4.522 4.378 4.595 . 0 0 "[ . 1 . 2]" 1
1309 1 88 VAL HA 1 88 VAL HB 2.990 . 4.110 3.027 3.022 3.032 . 0 0 "[ . 1 . 2]" 1
1310 1 88 VAL HA 1 88 VAL MG1 2.520 . 3.320 2.421 2.342 2.474 . 0 0 "[ . 1 . 2]" 1
1311 1 88 VAL HA 1 88 VAL MG2 2.320 . 2.990 2.370 2.313 2.435 . 0 0 "[ . 1 . 2]" 1
1312 1 88 VAL HA 1 89 ARG H 2.220 . 2.830 2.183 2.122 2.303 . 0 0 "[ . 1 . 2]" 1
1313 1 88 VAL HA 1 89 ARG HB2 3.710 . 5.430 4.338 3.992 5.285 . 0 0 "[ . 1 . 2]" 1
1314 1 88 VAL HB 1 88 VAL MG1 2.400 . 3.120 2.129 2.121 2.134 . 0 0 "[ . 1 . 2]" 1
1315 1 88 VAL HB 1 88 VAL MG2 2.080 . 2.620 2.128 2.121 2.134 . 0 0 "[ . 1 . 2]" 1
1316 1 88 VAL HB 1 89 ARG H 4.240 . 6.490 4.065 3.861 4.228 . 0 0 "[ . 1 . 2]" 1
1317 1 88 VAL MG1 1 89 ARG H 2.570 . 3.390 2.462 2.208 2.726 . 0 0 "[ . 1 . 2]" 1
1318 1 88 VAL MG2 1 89 ARG H 3.920 . 5.840 3.916 3.820 4.084 . 0 0 "[ . 1 . 2]" 1
1319 1 89 ARG H 1 89 ARG HB2 2.620 . 3.480 2.667 2.323 3.250 . 0 0 "[ . 1 . 2]" 1
1320 1 89 ARG H 1 89 ARG HB3 2.430 . 3.170 2.519 1.943 2.919 . 0 0 "[ . 1 . 2]" 1
1321 1 89 ARG H 1 89 ARG HD2 4.740 . 6.500 4.928 4.610 5.631 . 0 0 "[ . 1 . 2]" 1
1322 1 89 ARG H 1 89 ARG HD3 4.790 . 6.500 5.016 3.991 5.724 . 0 0 "[ . 1 . 2]" 1
1323 1 89 ARG HA 1 89 ARG HB2 2.330 . 3.010 2.503 2.242 2.728 . 0 0 "[ . 1 . 2]" 1
1324 1 89 ARG HA 1 89 ARG HG2 2.900 . 3.950 3.090 2.653 3.724 . 0 0 "[ . 1 . 2]" 1
1325 1 89 ARG HA 1 89 ARG HG3 3.050 . 4.210 2.635 2.349 3.453 . 0 0 "[ . 1 . 2]" 1
1326 1 89 ARG HA 1 90 TYR H 2.190 . 2.790 2.188 2.141 2.217 . 0 0 "[ . 1 . 2]" 1
1327 1 89 ARG HA 1 90 TYR QD 3.080 . 4.270 3.685 3.414 3.946 . 0 0 "[ . 1 . 2]" 1
1328 1 89 ARG HB2 1 89 ARG HD2 2.360 . 3.060 2.522 2.224 3.572 0.512 16 1 "[ . 1 .+ 2]" 1
1329 1 89 ARG HB2 1 89 ARG HD3 2.840 . 3.850 3.079 2.305 3.480 . 0 0 "[ . 1 . 2]" 1
1330 1 89 ARG HB2 1 89 ARG HG2 2.490 . 3.260 3.005 2.978 3.012 . 0 0 "[ . 1 . 2]" 1
1331 1 89 ARG HB2 1 90 TYR H 3.870 . 5.750 4.294 3.473 4.521 . 0 0 "[ . 1 . 2]" 1
1332 1 89 ARG HB3 1 89 ARG HD2 2.590 . 3.430 2.943 2.488 3.615 0.185 17 0 "[ . 1 . 2]" 1
1333 1 89 ARG HB3 1 89 ARG HD3 2.310 . 2.970 2.591 2.218 3.430 0.460 16 0 "[ . 1 . 2]" 1
1334 1 89 ARG HD2 1 89 ARG HG2 2.600 . 3.440 2.952 2.208 3.016 . 0 0 "[ . 1 . 2]" 1
1335 1 89 ARG HD2 1 91 PHE QE 3.540 . 5.100 4.199 3.269 4.822 . 0 0 "[ . 1 . 2]" 1
1336 1 89 ARG HD3 1 89 ARG HG2 2.950 . 4.040 2.443 2.281 2.802 . 0 0 "[ . 1 . 2]" 1
1337 1 89 ARG HD3 1 89 ARG HG3 2.550 . 3.360 2.950 2.188 3.016 . 0 0 "[ . 1 . 2]" 1
1338 1 89 ARG HD3 1 91 PHE QE 3.100 . 4.300 3.233 2.044 4.867 0.567 17 2 "[ . - . + 2]" 1
1339 1 89 ARG HG2 1 90 TYR H 3.190 . 4.460 3.277 2.799 4.183 . 0 0 "[ . 1 . 2]" 1
1340 1 89 ARG HG3 1 90 TYR H 2.890 . 3.930 3.460 2.864 3.995 0.065 14 0 "[ . 1 . 2]" 1
1341 1 90 TYR H 1 90 TYR HA 2.970 . 4.080 2.926 2.906 2.946 . 0 0 "[ . 1 . 2]" 1
1342 1 90 TYR H 1 90 TYR HB2 4.170 . 6.350 3.910 3.819 3.968 . 0 0 "[ . 1 . 2]" 1
1343 1 90 TYR H 1 90 TYR HB3 3.750 . 5.510 3.201 3.094 3.299 . 0 0 "[ . 1 . 2]" 1
1344 1 90 TYR H 1 90 TYR QD 2.750 . 3.690 2.618 2.501 2.871 . 0 0 "[ . 1 . 2]" 1
1345 1 90 TYR HA 1 90 TYR HB2 2.700 . 3.610 2.411 2.373 2.478 . 0 0 "[ . 1 . 2]" 1
1346 1 90 TYR HA 1 90 TYR HB3 2.470 . 3.240 2.489 2.430 2.532 . 0 0 "[ . 1 . 2]" 1
1347 1 90 TYR HA 1 90 TYR QD 3.710 . 5.430 3.767 3.760 3.775 . 0 0 "[ . 1 . 2]" 1
1348 1 90 TYR HA 1 91 PHE H 2.600 . 3.440 2.434 2.388 2.503 . 0 0 "[ . 1 . 2]" 1
1349 1 90 TYR HA 1 91 PHE QD 3.030 . 4.180 3.379 2.873 4.199 0.019 16 0 "[ . 1 . 2]" 1
1350 1 90 TYR HA 1 101 PHE QD 3.330 . 4.720 3.613 3.117 4.206 . 0 0 "[ . 1 . 2]" 1
1351 1 90 TYR HA 1 101 PHE QE 3.340 . 4.740 3.973 3.788 4.108 . 0 0 "[ . 1 . 2]" 1
1352 1 90 TYR HB2 1 90 TYR QD 2.730 . 3.660 2.333 2.274 2.361 . 0 0 "[ . 1 . 2]" 1
1353 1 90 TYR HB2 1 90 TYR QE 4.810 . 6.500 4.395 4.358 4.410 . 0 0 "[ . 1 . 2]" 1
1354 1 90 TYR HB2 1 91 PHE H 2.910 . 3.970 2.648 2.581 2.699 . 0 0 "[ . 1 . 2]" 1
1355 1 90 TYR HB2 1 101 PHE HA 3.360 . 4.770 3.961 3.468 4.337 . 0 0 "[ . 1 . 2]" 1
1356 1 90 TYR HB2 1 101 PHE QD 3.660 . 5.340 4.047 3.534 4.407 . 0 0 "[ . 1 . 2]" 1
1357 1 90 TYR HB2 1 101 PHE QE 3.680 . 5.380 3.866 3.596 4.429 . 0 0 "[ . 1 . 2]" 1
1358 1 90 TYR HB3 1 90 TYR QD 2.870 . 3.900 2.477 2.444 2.545 . 0 0 "[ . 1 . 2]" 1
1359 1 90 TYR HB3 1 91 PHE H 3.680 . 5.370 3.967 3.894 3.999 . 0 0 "[ . 1 . 2]" 1
1360 1 90 TYR HB3 1 101 PHE HA 3.700 . 5.420 4.690 4.052 4.850 . 0 0 "[ . 1 . 2]" 1
1361 1 90 TYR HB3 1 101 PHE QD 4.010 . 6.020 3.974 3.271 4.146 . 0 0 "[ . 1 . 2]" 1
1362 1 90 TYR HB3 1 101 PHE QE 3.570 . 5.170 3.091 2.992 3.229 . 0 0 "[ . 1 . 2]" 1
1363 1 90 TYR QD 1 91 PHE H 3.110 . 4.320 3.409 3.164 3.683 . 0 0 "[ . 1 . 2]" 1
1364 1 90 TYR QD 1 99 THR HB 3.080 . 4.270 3.233 2.930 3.697 . 0 0 "[ . 1 . 2]" 1
1365 1 90 TYR QD 1 99 THR MG 2.600 . 3.440 2.890 2.420 3.330 . 0 0 "[ . 1 . 2]" 1
1366 1 90 TYR QD 1 100 THR H 3.640 . 5.300 4.034 3.625 4.924 . 0 0 "[ . 1 . 2]" 1
1367 1 90 TYR QE 1 99 THR HB 4.290 . 6.500 4.437 3.795 4.960 . 0 0 "[ . 1 . 2]" 1
1368 1 90 TYR QE 1 99 THR MG 2.790 . 3.760 2.745 2.517 3.325 . 0 0 "[ . 1 . 2]" 1
1369 1 91 PHE H 1 91 PHE HB2 2.610 . 3.460 2.546 2.441 2.686 . 0 0 "[ . 1 . 2]" 1
1370 1 91 PHE H 1 91 PHE HB3 3.750 . 5.510 3.692 3.592 3.782 . 0 0 "[ . 1 . 2]" 1
1371 1 91 PHE H 1 91 PHE QD 2.940 . 4.020 2.983 2.844 3.585 . 0 0 "[ . 1 . 2]" 1
1372 1 91 PHE H 1 99 THR MG 4.300 . 6.500 5.234 4.497 5.619 . 0 0 "[ . 1 . 2]" 1
1373 1 91 PHE H 1 100 THR MG 3.770 . 5.540 3.551 3.256 3.874 . 0 0 "[ . 1 . 2]" 1
1374 1 91 PHE H 1 101 PHE HA 3.360 . 4.770 3.156 2.909 3.532 . 0 0 "[ . 1 . 2]" 1
1375 1 91 PHE HA 1 91 PHE HB2 2.970 . 4.070 3.012 2.989 3.027 . 0 0 "[ . 1 . 2]" 1
1376 1 91 PHE HA 1 91 PHE HB3 2.620 . 3.480 2.548 2.436 2.626 . 0 0 "[ . 1 . 2]" 1
1377 1 91 PHE HA 1 91 PHE QD 3.030 . 4.180 2.924 2.049 3.138 . 0 0 "[ . 1 . 2]" 1
1378 1 91 PHE HA 1 92 VAL H 2.340 . 3.020 2.278 2.197 2.384 . 0 0 "[ . 1 . 2]" 1
1379 1 91 PHE HA 1 92 VAL MG1 4.340 . 6.500 5.390 5.340 5.434 . 0 0 "[ . 1 . 2]" 1
1380 1 91 PHE HB2 1 91 PHE QD 2.790 . 3.760 2.494 2.277 2.636 . 0 0 "[ . 1 . 2]" 1
1381 1 91 PHE HB2 1 92 VAL H 4.150 . 6.310 3.909 3.723 4.071 . 0 0 "[ . 1 . 2]" 1
1382 1 91 PHE HB3 1 91 PHE QD 2.700 . 3.610 2.384 2.253 2.792 . 0 0 "[ . 1 . 2]" 1
1383 1 91 PHE HB3 1 100 THR H 4.200 . 6.410 4.660 4.322 5.142 . 0 0 "[ . 1 . 2]" 1
1384 1 91 PHE HB3 1 100 THR MG 2.800 . 3.780 3.243 2.817 3.789 0.009 7 0 "[ . 1 . 2]" 1
1385 1 91 PHE QD 1 92 VAL H 4.150 . 6.300 3.712 3.445 3.966 . 0 0 "[ . 1 . 2]" 1
1386 1 91 PHE QD 1 101 PHE HA 3.460 . 4.960 3.693 2.775 4.876 . 0 0 "[ . 1 . 2]" 1
1387 1 91 PHE QD 1 103 ASP HA 3.750 . 5.500 5.005 4.223 5.625 0.125 17 0 "[ . 1 . 2]" 1
1388 1 91 PHE QE 1 103 ASP HA 3.080 . 4.270 3.659 3.332 4.298 0.028 20 0 "[ . 1 . 2]" 1
1389 1 92 VAL H 1 92 VAL HA 2.880 . 3.910 2.948 2.941 2.956 . 0 0 "[ . 1 . 2]" 1
1390 1 92 VAL H 1 92 VAL HB 2.800 . 3.780 2.695 2.577 2.842 . 0 0 "[ . 1 . 2]" 1
1391 1 92 VAL H 1 92 VAL MG1 3.560 . 5.140 3.883 3.828 3.932 . 0 0 "[ . 1 . 2]" 1
1392 1 92 VAL H 1 92 VAL MG2 3.310 . 4.680 2.644 2.525 2.883 . 0 0 "[ . 1 . 2]" 1
1393 1 92 VAL HA 1 92 VAL MG2 2.590 . 3.430 2.442 2.361 2.556 . 0 0 "[ . 1 . 2]" 1
1394 1 92 VAL HA 1 93 ASP H 2.340 . 3.020 2.183 2.158 2.211 . 0 0 "[ . 1 . 2]" 1
1395 1 92 VAL HA 1 93 ASP QB 5.900 . 6.500 4.265 4.160 4.487 . 0 0 "[ . 1 . 2]" 1
1396 1 92 VAL HA 1 99 THR HA 2.560 . 3.380 2.546 2.313 2.771 . 0 0 "[ . 1 . 2]" 1
1397 1 92 VAL HA 1 100 THR H 3.500 . 5.030 3.363 2.910 3.708 . 0 0 "[ . 1 . 2]" 1
1398 1 92 VAL HB 1 92 VAL MG1 2.460 . 3.220 2.125 2.120 2.131 . 0 0 "[ . 1 . 2]" 1
1399 1 92 VAL HB 1 92 VAL MG2 2.230 . 2.850 2.123 2.111 2.129 . 0 0 "[ . 1 . 2]" 1
1400 1 92 VAL MG1 1 92 VAL MG2 2.230 . 2.850 2.078 2.039 2.099 . 0 0 "[ . 1 . 2]" 1
1401 1 92 VAL MG1 1 93 ASP H 3.910 . 5.820 3.020 2.697 3.298 . 0 0 "[ . 1 . 2]" 1
1402 1 92 VAL MG1 1 99 THR HA 3.660 . 5.340 3.488 3.024 3.907 . 0 0 "[ . 1 . 2]" 1
1403 1 92 VAL MG1 1 99 THR HB 4.580 . 6.500 5.127 4.726 5.444 . 0 0 "[ . 1 . 2]" 1
1404 1 92 VAL MG1 1 99 THR MG 2.400 . 3.120 2.935 2.681 3.127 0.007 10 0 "[ . 1 . 2]" 1
1405 1 92 VAL MG2 1 93 ASP H 3.720 . 5.450 4.211 4.107 4.343 . 0 0 "[ . 1 . 2]" 1
1406 1 92 VAL MG2 1 94 HIS H 4.450 . 6.500 5.866 5.045 6.514 0.014 10 0 "[ . 1 . 2]" 1
1407 1 92 VAL MG2 1 94 HIS HA 4.010 . 6.020 5.848 5.544 6.077 0.057 10 0 "[ . 1 . 2]" 1
1408 1 92 VAL MG2 1 98 THR H 4.530 . 6.500 5.762 5.274 6.415 . 0 0 "[ . 1 . 2]" 1
1409 1 92 VAL MG2 1 99 THR HA 3.940 . 5.880 3.403 2.997 3.771 . 0 0 "[ . 1 . 2]" 1
1410 1 92 VAL MG2 1 99 THR MG 2.860 . 3.880 2.342 2.168 2.784 . 0 0 "[ . 1 . 2]" 1
1411 1 93 ASP H 1 93 ASP QB 2.880 . 3.920 2.291 2.205 2.487 . 0 0 "[ . 1 . 2]" 1
1412 1 93 ASP H 1 98 THR H 3.210 . 4.500 3.470 3.000 3.982 . 0 0 "[ . 1 . 2]" 1
1413 1 93 ASP H 1 99 THR HA 3.210 . 4.500 3.363 2.957 3.854 . 0 0 "[ . 1 . 2]" 1
1414 1 93 ASP HA 1 93 ASP QB 2.820 . 3.810 2.464 2.314 2.570 . 0 0 "[ . 1 . 2]" 1
1415 1 93 ASP HA 1 94 HIS H 2.420 . 3.150 2.282 2.231 2.394 . 0 0 "[ . 1 . 2]" 1
1416 1 93 ASP HA 1 95 ASN H 3.510 . 5.050 3.504 3.169 3.970 . 0 0 "[ . 1 . 2]" 1
1417 1 93 ASP QB 1 94 HIS H 4.380 . 6.500 3.770 3.508 3.918 . 0 0 "[ . 1 . 2]" 1
1418 1 93 ASP QB 1 96 THR MG 3.490 . 5.010 3.927 3.552 4.265 . 0 0 "[ . 1 . 2]" 1
1419 1 93 ASP QB 1 98 THR H 3.010 . 4.150 3.053 2.917 3.188 . 0 0 "[ . 1 . 2]" 1
1420 1 93 ASP QB 1 98 THR HB 3.220 . 4.520 4.051 3.363 4.310 . 0 0 "[ . 1 . 2]" 1
1421 1 93 ASP QB 1 99 THR H 4.360 . 6.500 5.348 4.827 5.981 . 0 0 "[ . 1 . 2]" 1
1422 1 94 HIS H 1 94 HIS HA 2.950 . 4.040 2.865 2.755 2.893 . 0 0 "[ . 1 . 2]" 1
1423 1 94 HIS H 1 94 HIS HB2 2.710 . 3.630 2.551 2.313 3.627 . 0 0 "[ . 1 . 2]" 1
1424 1 94 HIS H 1 94 HIS HB3 3.070 . 4.250 2.848 2.495 3.623 . 0 0 "[ . 1 . 2]" 1
1425 1 94 HIS H 1 94 HIS HD2 3.730 . 5.470 4.687 2.995 5.110 . 0 0 "[ . 1 . 2]" 1
1426 1 94 HIS H 1 95 ASN H 2.580 . 3.410 2.560 2.443 2.845 . 0 0 "[ . 1 . 2]" 1
1427 1 94 HIS HA 1 94 HIS HB2 2.770 . 3.730 2.627 2.362 3.021 . 0 0 "[ . 1 . 2]" 1
1428 1 94 HIS HA 1 94 HIS HB3 2.760 . 3.710 2.877 2.443 3.043 . 0 0 "[ . 1 . 2]" 1
1429 1 94 HIS HA 1 95 ASN H 3.080 . 4.270 3.362 3.171 3.490 . 0 0 "[ . 1 . 2]" 1
1430 1 94 HIS HA 1 97 ARG H 3.070 . 4.250 3.243 2.550 3.608 . 0 0 "[ . 1 . 2]" 1
1431 1 94 HIS HA 1 97 ARG HA 2.880 . 3.920 3.005 2.218 3.605 . 0 0 "[ . 1 . 2]" 1
1432 1 94 HIS HB2 1 94 HIS HD2 3.560 . 5.150 3.335 2.744 3.965 . 0 0 "[ . 1 . 2]" 1
1433 1 94 HIS HB3 1 94 HIS HD2 3.890 . 5.780 3.623 2.908 3.972 . 0 0 "[ . 1 . 2]" 1
1434 1 94 HIS HB3 1 95 ASN H 3.630 . 5.280 3.585 3.062 4.277 . 0 0 "[ . 1 . 2]" 1
1435 1 95 ASN H 1 95 ASN HA 2.750 . 3.700 2.883 2.853 2.918 . 0 0 "[ . 1 . 2]" 1
1436 1 95 ASN H 1 95 ASN HB2 3.210 . 4.500 3.628 3.473 3.738 . 0 0 "[ . 1 . 2]" 1
1437 1 95 ASN H 1 95 ASN HB3 2.880 . 3.910 2.691 2.176 2.926 . 0 0 "[ . 1 . 2]" 1
1438 1 95 ASN H 1 95 ASN HD21 2.320 . 2.990 2.350 2.064 2.842 . 0 0 "[ . 1 . 2]" 1
1439 1 95 ASN H 1 95 ASN HD22 4.140 . 6.280 3.334 2.948 4.408 . 0 0 "[ . 1 . 2]" 1
1440 1 95 ASN H 1 96 THR H 2.430 . 3.170 2.478 2.332 2.652 . 0 0 "[ . 1 . 2]" 1
1441 1 95 ASN H 1 97 ARG HG2 3.940 . 5.890 5.736 5.439 6.314 0.424 8 0 "[ . 1 . 2]" 1
1442 1 95 ASN HA 1 95 ASN HB2 2.730 . 3.660 2.465 2.279 2.531 . 0 0 "[ . 1 . 2]" 1
1443 1 95 ASN HA 1 95 ASN HB3 2.430 . 3.170 2.494 2.385 2.816 . 0 0 "[ . 1 . 2]" 1
1444 1 95 ASN HA 1 95 ASN HD22 4.980 . 6.500 5.103 4.949 5.189 . 0 0 "[ . 1 . 2]" 1
1445 1 95 ASN HA 1 96 THR H 3.480 . 5.000 3.539 3.418 3.594 . 0 0 "[ . 1 . 2]" 1
1446 1 95 ASN HA 1 97 ARG H 3.410 . 4.860 4.255 4.097 4.459 . 0 0 "[ . 1 . 2]" 1
1447 1 95 ASN HB2 1 95 ASN HD21 3.290 . 4.640 3.429 2.892 3.487 . 0 0 "[ . 1 . 2]" 1
1448 1 95 ASN HB2 1 95 ASN HD22 3.950 . 5.900 4.034 3.766 4.067 . 0 0 "[ . 1 . 2]" 1
1449 1 95 ASN HB2 1 96 THR H 3.230 . 4.540 3.801 3.464 4.270 . 0 0 "[ . 1 . 2]" 1
1450 1 95 ASN HB3 1 95 ASN HD21 2.640 . 3.510 2.299 2.174 3.561 0.051 16 0 "[ . 1 . 2]" 1
1451 1 95 ASN HB3 1 96 THR H 3.500 . 5.040 3.935 3.400 4.313 . 0 0 "[ . 1 . 2]" 1
1452 1 95 ASN HD21 1 96 THR HA 4.370 . 6.500 5.987 3.348 6.421 . 0 0 "[ . 1 . 2]" 1
1453 1 95 ASN HD22 1 96 THR HA 4.070 . 6.150 5.829 4.272 6.190 0.040 12 0 "[ . 1 . 2]" 1
1454 1 96 THR H 1 96 THR HA 2.950 . 4.040 2.929 2.905 2.946 . 0 0 "[ . 1 . 2]" 1
1455 1 96 THR H 1 96 THR HB 3.990 . 5.980 3.636 3.543 3.714 . 0 0 "[ . 1 . 2]" 1
1456 1 96 THR H 1 96 THR MG 2.890 . 3.940 2.889 2.679 3.171 . 0 0 "[ . 1 . 2]" 1
1457 1 96 THR H 1 97 ARG H 2.340 . 3.030 2.097 1.872 2.358 . 0 0 "[ . 1 . 2]" 1
1458 1 96 THR H 1 97 ARG HA 4.830 . 6.500 4.319 4.111 4.522 . 0 0 "[ . 1 . 2]" 1
1459 1 96 THR H 1 98 THR H 4.180 . 6.370 4.038 3.394 4.460 . 0 0 "[ . 1 . 2]" 1
1460 1 96 THR HA 1 96 THR MG 1.960 . 2.440 1.955 1.934 1.977 . 0 0 "[ . 1 . 2]" 1
1461 1 96 THR HA 1 96 THR MG 2.320 . 2.990 2.270 2.208 2.346 . 0 0 "[ . 1 . 2]" 1
1462 1 96 THR HA 1 97 ARG H 3.380 . 4.810 3.336 3.214 3.464 . 0 0 "[ . 1 . 2]" 1
1463 1 96 THR HB 1 96 THR MG 2.240 . 2.870 2.135 2.129 2.143 . 0 0 "[ . 1 . 2]" 1
1464 1 96 THR HB 1 97 ARG H 4.240 . 6.480 4.018 3.866 4.210 . 0 0 "[ . 1 . 2]" 1
1465 1 96 THR HB 1 98 THR H 4.480 . 6.500 4.581 3.903 5.541 . 0 0 "[ . 1 . 2]" 1
1466 1 96 THR MG 1 97 ARG H 3.170 . 4.430 4.226 4.021 4.337 . 0 0 "[ . 1 . 2]" 1
1467 1 97 ARG H 1 97 ARG HA 2.300 . 2.960 2.275 2.253 2.297 . 0 0 "[ . 1 . 2]" 1
1468 1 97 ARG H 1 97 ARG QG 3.100 . 4.300 2.820 2.703 3.023 . 0 0 "[ . 1 . 2]" 1
1469 1 97 ARG H 1 98 THR H 2.790 . 3.770 2.754 2.401 3.106 . 0 0 "[ . 1 . 2]" 1
1470 1 97 ARG HA 1 97 ARG HB2 2.990 . 4.110 3.010 2.975 3.028 . 0 0 "[ . 1 . 2]" 1
1471 1 97 ARG HA 1 97 ARG HB3 2.400 . 3.120 2.497 2.350 2.628 . 0 0 "[ . 1 . 2]" 1
1472 1 97 ARG HA 1 97 ARG HD2 4.360 . 6.500 4.516 4.178 4.842 . 0 0 "[ . 1 . 2]" 1
1473 1 97 ARG HA 1 97 ARG HG2 2.850 . 3.860 2.437 2.264 2.854 . 0 0 "[ . 1 . 2]" 1
1474 1 97 ARG HA 1 97 ARG QG 2.590 . 3.430 2.332 2.206 2.664 . 0 0 "[ . 1 . 2]" 1
1475 1 97 ARG HA 1 97 ARG HG3 3.310 . 4.680 3.010 2.745 3.198 . 0 0 "[ . 1 . 2]" 1
1476 1 97 ARG HA 1 98 THR H 2.530 . 3.330 2.455 2.232 2.812 . 0 0 "[ . 1 . 2]" 1
1477 1 97 ARG HB2 1 97 ARG HD2 3.140 . 4.370 3.200 2.413 3.821 . 0 0 "[ . 1 . 2]" 1
1478 1 97 ARG HB2 1 97 ARG HD3 3.060 . 4.230 3.180 2.518 3.743 . 0 0 "[ . 1 . 2]" 1
1479 1 97 ARG HB3 1 97 ARG HD2 3.020 . 4.160 3.028 2.420 3.686 . 0 0 "[ . 1 . 2]" 1
1480 1 97 ARG HB3 1 97 ARG HD3 3.120 . 4.340 3.200 2.282 3.784 . 0 0 "[ . 1 . 2]" 1
1481 1 97 ARG HB3 1 97 ARG HG2 2.380 . 3.090 2.452 2.362 2.580 . 0 0 "[ . 1 . 2]" 1
1482 1 97 ARG HD2 1 97 ARG HG2 2.500 . 3.280 2.555 2.344 3.010 . 0 0 "[ . 1 . 2]" 1
1483 1 97 ARG HD2 1 97 ARG HG3 2.340 . 3.020 2.697 2.336 3.022 0.002 16 0 "[ . 1 . 2]" 1
1484 1 97 ARG HD3 1 97 ARG HG3 2.270 . 2.910 2.556 2.345 3.013 0.103 5 0 "[ . 1 . 2]" 1
1485 1 97 ARG HG3 1 98 THR H 4.300 . 6.500 4.903 4.627 5.280 . 0 0 "[ . 1 . 2]" 1
1486 1 98 THR H 1 98 THR HB 3.390 . 4.830 3.449 2.931 3.810 . 0 0 "[ . 1 . 2]" 1
1487 1 98 THR H 1 98 THR MG 3.220 . 4.510 2.997 2.267 4.008 . 0 0 "[ . 1 . 2]" 1
1488 1 98 THR H 1 99 THR H 4.270 . 6.500 4.442 4.357 4.594 . 0 0 "[ . 1 . 2]" 1
1489 1 98 THR HA 1 98 THR HB 2.760 . 3.710 2.628 2.514 3.046 . 0 0 "[ . 1 . 2]" 1
1490 1 98 THR HA 1 98 THR MG 2.550 . 3.360 2.651 2.220 3.231 . 0 0 "[ . 1 . 2]" 1
1491 1 98 THR HA 1 99 THR H 2.600 . 3.440 2.420 2.340 2.530 . 0 0 "[ . 1 . 2]" 1
1492 1 98 THR HB 1 98 THR MG 2.300 . 2.960 2.149 2.144 2.154 . 0 0 "[ . 1 . 2]" 1
1493 1 98 THR HB 1 99 THR H 2.910 . 3.970 3.236 2.637 3.908 . 0 0 "[ . 1 . 2]" 1
1494 1 98 THR MG 1 99 THR H 3.170 . 4.420 3.208 2.481 3.682 . 0 0 "[ . 1 . 2]" 1
1495 1 99 THR H 1 99 THR HB 3.250 . 4.570 3.665 3.535 3.764 . 0 0 "[ . 1 . 2]" 1
1496 1 99 THR H 1 99 THR MG 3.330 . 4.720 3.018 2.865 3.210 . 0 0 "[ . 1 . 2]" 1
1497 1 99 THR HA 1 99 THR HB 2.800 . 3.780 2.609 2.575 2.653 . 0 0 "[ . 1 . 2]" 1
1498 1 99 THR HA 1 99 THR MG 2.570 . 3.390 2.323 2.283 2.357 . 0 0 "[ . 1 . 2]" 1
1499 1 99 THR HA 1 100 THR H 2.450 . 3.200 2.278 2.183 2.328 . 0 0 "[ . 1 . 2]" 1
1500 1 99 THR HA 1 100 THR MG 3.500 . 5.030 3.958 3.642 5.241 0.211 20 0 "[ . 1 . 2]" 1
1501 1 99 THR HB 1 99 THR MG 2.410 . 3.140 2.171 2.166 2.175 . 0 0 "[ . 1 . 2]" 1
1502 1 99 THR HB 1 100 THR H 3.150 . 4.390 3.297 2.908 3.905 . 0 0 "[ . 1 . 2]" 1
1503 1 99 THR MG 1 100 THR H 3.580 . 5.180 3.858 3.541 4.152 . 0 0 "[ . 1 . 2]" 1
1504 1 100 THR H 1 100 THR HB 3.620 . 5.260 3.136 2.218 3.396 . 0 0 "[ . 1 . 2]" 1
1505 1 100 THR H 1 100 THR MG 2.550 . 3.360 2.491 2.368 3.439 0.079 20 0 "[ . 1 . 2]" 1
1506 1 100 THR HA 1 100 THR HB 2.500 . 3.280 2.525 2.448 2.966 . 0 0 "[ . 1 . 2]" 1
1507 1 100 THR HA 1 100 THR MG 3.440 . 4.920 3.196 2.742 3.236 . 0 0 "[ . 1 . 2]" 1
1508 1 100 THR HA 1 101 PHE H 2.860 . 3.880 2.295 2.122 2.395 . 0 0 "[ . 1 . 2]" 1
1509 1 100 THR HB 1 100 THR MG 2.270 . 2.910 2.137 2.119 2.142 . 0 0 "[ . 1 . 2]" 1
1510 1 100 THR HB 1 101 PHE H 4.680 . 6.500 3.985 3.826 4.196 . 0 0 "[ . 1 . 2]" 1
1511 1 100 THR MG 1 101 PHE H 4.280 . 6.500 3.431 2.312 3.942 . 0 0 "[ . 1 . 2]" 1
1512 1 100 THR MG 1 102 LYS H 2.910 . 3.970 3.523 3.035 4.080 0.110 20 0 "[ . 1 . 2]" 1
1513 1 101 PHE H 1 101 PHE HB2 3.000 . 4.130 2.435 2.230 2.798 . 0 0 "[ . 1 . 2]" 1
1514 1 101 PHE H 1 101 PHE QD 3.980 . 5.960 3.104 2.255 4.362 . 0 0 "[ . 1 . 2]" 1
1515 1 101 PHE H 1 102 LYS H 3.290 . 4.650 4.109 3.931 4.479 . 0 0 "[ . 1 . 2]" 1
1516 1 101 PHE HA 1 101 PHE HB2 2.990 . 4.110 2.960 2.619 3.050 . 0 0 "[ . 1 . 2]" 1
1517 1 101 PHE HA 1 101 PHE HB3 2.690 . 3.600 2.669 2.503 3.018 . 0 0 "[ . 1 . 2]" 1
1518 1 101 PHE HA 1 101 PHE QD 2.940 . 4.020 2.956 2.387 3.142 . 0 0 "[ . 1 . 2]" 1
1519 1 101 PHE HA 1 101 PHE QE 3.880 . 5.770 4.522 4.178 4.719 . 0 0 "[ . 1 . 2]" 1
1520 1 101 PHE HB2 1 101 PHE QD 2.770 . 3.730 2.397 2.237 2.539 . 0 0 "[ . 1 . 2]" 1
1521 1 101 PHE HB2 1 102 LYS H 4.670 . 6.500 4.511 4.055 4.665 . 0 0 "[ . 1 . 2]" 1
1522 1 101 PHE HB3 1 101 PHE QD 2.940 . 4.020 2.394 2.254 2.631 . 0 0 "[ . 1 . 2]" 1
1523 1 101 PHE HB3 1 102 LYS H 4.450 . 6.500 3.825 2.804 4.245 . 0 0 "[ . 1 . 2]" 1
1524 1 102 LYS H 1 102 LYS HA 2.970 . 4.070 2.902 2.684 2.942 . 0 0 "[ . 1 . 2]" 1
1525 1 102 LYS H 1 102 LYS QB 2.830 . 3.730 2.612 2.375 3.180 . 0 0 "[ . 1 . 2]" 1
1526 1 102 LYS H 1 102 LYS HG2 4.200 . 6.410 4.087 2.310 4.978 . 0 0 "[ . 1 . 2]" 1
1527 1 102 LYS H 1 102 LYS HG3 3.610 . 5.240 3.893 1.984 5.065 . 0 0 "[ . 1 . 2]" 1
1528 1 102 LYS HA 1 102 LYS QB 2.460 . 3.220 2.376 2.144 2.521 . 0 0 "[ . 1 . 2]" 1
1529 1 102 LYS HA 1 102 LYS HG2 3.270 . 4.610 2.917 2.379 4.241 . 0 0 "[ . 1 . 2]" 1
1530 1 102 LYS HA 1 102 LYS HG3 2.880 . 3.920 3.089 2.440 3.767 . 0 0 "[ . 1 . 2]" 1
1531 1 102 LYS HA 1 103 ASP H 2.190 . 2.790 2.188 2.068 2.359 . 0 0 "[ . 1 . 2]" 1
1532 1 102 LYS HA 1 103 ASP HB2 4.340 . 6.500 4.855 4.438 5.686 . 0 0 "[ . 1 . 2]" 1
1533 1 102 LYS QB 1 102 LYS HE2 2.190 . 2.790 2.609 1.906 3.566 0.776 3 5 "[ + . * *-. * 2]" 1
1534 1 102 LYS QB 1 102 LYS HG2 2.600 . 3.440 2.339 2.156 2.430 . 0 0 "[ . 1 . 2]" 1
1535 1 102 LYS QB 1 102 LYS HG3 2.510 . 3.230 2.306 2.152 2.408 . 0 0 "[ . 1 . 2]" 1
1536 1 102 LYS QB 1 103 ASP H 4.030 . 5.570 3.561 2.463 3.999 . 0 0 "[ . 1 . 2]" 1
1537 1 102 LYS HE2 1 102 LYS HG2 3.390 . 4.820 3.499 2.974 3.760 . 0 0 "[ . 1 . 2]" 1
1538 1 102 LYS HG2 1 103 ASP H 4.310 . 6.500 4.191 2.228 5.358 . 0 0 "[ . 1 . 2]" 1
1539 1 102 LYS HG3 1 103 ASP H 4.270 . 6.500 4.541 2.897 5.730 . 0 0 "[ . 1 . 2]" 1
1540 1 103 ASP H 1 103 ASP HB2 2.570 . 3.390 2.960 2.270 3.621 0.231 9 0 "[ . 1 . 2]" 1
1541 1 103 ASP H 1 103 ASP HB3 2.830 . 3.830 2.818 2.557 3.593 . 0 0 "[ . 1 . 2]" 1
1542 1 103 ASP HA 1 103 ASP HB2 2.960 . 4.050 2.587 2.454 3.032 . 0 0 "[ . 1 . 2]" 1
1543 1 103 ASP HA 1 104 PRO HB3 4.640 . 6.500 5.151 4.642 5.521 . 0 0 "[ . 1 . 2]" 1
1544 1 103 ASP HA 1 104 PRO HD2 2.510 . 3.300 2.362 1.980 2.895 . 0 0 "[ . 1 . 2]" 1
1545 1 103 ASP HA 1 104 PRO HD3 2.450 . 3.200 2.204 1.790 2.634 . 0 0 "[ . 1 . 2]" 1
1546 1 103 ASP HA 1 104 PRO HG3 5.400 . 6.500 4.285 3.955 4.569 . 0 0 "[ . 1 . 2]" 1
1547 1 103 ASP HA 1 105 ARG H 3.720 . 5.450 3.908 3.354 4.247 . 0 0 "[ . 1 . 2]" 1
1548 1 103 ASP HB2 1 108 PHE QD 3.160 . 4.410 3.972 2.165 5.295 0.885 6 2 "[ .+ - 1 . 2]" 1
1549 1 104 PRO HA 1 104 PRO HB3 2.440 . 3.180 2.315 2.282 2.339 . 0 0 "[ . 1 . 2]" 1
1550 1 104 PRO HA 1 105 ARG H 3.050 . 4.210 3.469 3.178 3.554 . 0 0 "[ . 1 . 2]" 1
1551 1 104 PRO HB2 1 104 PRO HD3 4.020 . 6.040 3.927 3.868 3.993 . 0 0 "[ . 1 . 2]" 1
1552 1 104 PRO HB2 1 105 ARG H 3.450 . 4.940 3.356 2.919 4.204 . 0 0 "[ . 1 . 2]" 1
1553 1 104 PRO HB2 1 105 ARG HD2 2.870 . 3.900 3.401 2.121 4.619 0.719 2 3 "[ + . - 1 * 2]" 1
1554 1 104 PRO HB2 1 105 ARG HD3 3.410 . 4.860 3.439 2.073 4.565 . 0 0 "[ . 1 . 2]" 1
1555 1 104 PRO HB3 1 104 PRO HD2 3.820 . 5.650 3.914 3.863 4.030 . 0 0 "[ . 1 . 2]" 1
1556 1 104 PRO HB3 1 104 PRO HD3 2.990 . 4.100 3.394 2.921 4.023 . 0 0 "[ . 1 . 2]" 1
1557 1 104 PRO HB3 1 104 PRO HG2 2.830 . 3.830 2.881 2.702 2.997 . 0 0 "[ . 1 . 2]" 1
1558 1 104 PRO HB3 1 105 ARG H 4.050 . 6.100 4.301 3.932 4.614 . 0 0 "[ . 1 . 2]" 1
1559 1 104 PRO HD2 1 104 PRO HG2 2.900 . 3.950 2.298 2.252 2.326 . 0 0 "[ . 1 . 2]" 1
1560 1 104 PRO HD2 1 105 ARG H 3.200 . 4.480 2.834 2.007 3.394 . 0 0 "[ . 1 . 2]" 1
1561 1 104 PRO HD3 1 105 ARG H 3.770 . 5.550 3.962 3.487 4.272 . 0 0 "[ . 1 . 2]" 1
1562 1 104 PRO HG3 1 105 ARG H 4.950 . 6.500 4.408 3.645 4.881 . 0 0 "[ . 1 . 2]" 1
1563 1 105 ARG H 1 105 ARG HA 2.830 . 3.830 2.929 2.872 2.952 . 0 0 "[ . 1 . 2]" 1
1564 1 105 ARG H 1 105 ARG HB3 3.110 . 4.320 3.616 3.229 3.773 . 0 0 "[ . 1 . 2]" 1
1565 1 105 ARG H 1 105 ARG QG 3.270 . 4.600 3.488 2.507 3.906 . 0 0 "[ . 1 . 2]" 1
1566 1 105 ARG HA 1 105 ARG QB 2.600 . 3.450 2.432 2.325 2.532 . 0 0 "[ . 1 . 2]" 1
1567 1 105 ARG HA 1 105 ARG HD2 2.950 . 4.040 2.898 1.994 4.715 0.675 9 1 "[ . +1 . 2]" 1
1568 1 105 ARG HA 1 105 ARG HD3 3.780 . 5.570 3.509 2.269 4.321 . 0 0 "[ . 1 . 2]" 1
1569 1 105 ARG HA 1 105 ARG QG 3.080 . 4.270 2.592 2.406 3.089 . 0 0 "[ . 1 . 2]" 1
1570 1 105 ARG HA 1 106 PRO HD2 2.370 . 3.070 2.361 2.262 2.636 . 0 0 "[ . 1 . 2]" 1
1571 1 105 ARG HA 1 106 PRO HD3 2.360 . 3.060 2.328 2.194 2.374 . 0 0 "[ . 1 . 2]" 1
1572 1 105 ARG QB 1 105 ARG HD2 2.900 . 3.950 2.994 2.379 3.499 . 0 0 "[ . 1 . 2]" 1
1573 1 105 ARG QB 1 105 ARG QG 2.350 . 3.040 1.996 1.966 2.018 . 0 0 "[ . 1 . 2]" 1
1574 1 105 ARG HB2 1 106 PRO HD2 3.950 . 5.900 4.661 4.038 5.256 . 0 0 "[ . 1 . 2]" 1
1575 1 105 ARG HB3 1 105 ARG HD3 3.210 . 4.500 3.755 3.440 4.217 . 0 0 "[ . 1 . 2]" 1
1576 1 105 ARG HB3 1 106 PRO HD3 3.760 . 5.520 4.380 3.932 4.708 . 0 0 "[ . 1 . 2]" 1
1577 1 105 ARG HB3 1 108 PHE HB2 3.890 . 5.780 4.627 2.956 5.603 . 0 0 "[ . 1 . 2]" 1
1578 1 105 ARG HD3 1 105 ARG QG 3.030 . 4.180 2.293 2.146 2.408 . 0 0 "[ . 1 . 2]" 1
1579 1 106 PRO HA 1 106 PRO HB2 2.550 . 3.360 2.842 2.688 3.008 . 0 0 "[ . 1 . 2]" 1
1580 1 106 PRO HA 1 106 PRO HB3 2.440 . 3.180 2.308 2.252 2.328 . 0 0 "[ . 1 . 2]" 1
1581 1 106 PRO HA 1 107 GLY H 2.620 . 3.480 2.162 2.140 2.197 . 0 0 "[ . 1 . 2]" 1
1582 1 106 PRO HA 1 108 PHE H 3.660 . 5.330 3.774 3.414 3.975 . 0 0 "[ . 1 . 2]" 1
1583 1 106 PRO HB2 1 106 PRO HD2 3.860 . 5.730 3.576 2.967 4.055 . 0 0 "[ . 1 . 2]" 1
1584 1 106 PRO HB2 1 106 PRO HD3 4.060 . 6.120 3.939 3.866 4.026 . 0 0 "[ . 1 . 2]" 1
1585 1 106 PRO HB2 1 106 PRO HG2 2.400 . 3.120 2.311 2.266 2.339 . 0 0 "[ . 1 . 2]" 1
1586 1 106 PRO HB2 1 107 GLY H 4.350 . 6.500 3.813 3.407 4.150 . 0 0 "[ . 1 . 2]" 1
1587 1 106 PRO HB3 1 107 GLY H 4.950 . 6.500 3.921 3.447 4.185 . 0 0 "[ . 1 . 2]" 1
1588 1 106 PRO HD2 1 106 PRO HG2 2.380 . 3.090 2.278 2.238 2.302 . 0 0 "[ . 1 . 2]" 1
1589 1 106 PRO HD2 1 106 PRO HG3 2.860 . 3.880 2.835 2.694 2.986 . 0 0 "[ . 1 . 2]" 1
1590 1 106 PRO HD3 1 106 PRO HG3 2.220 . 2.830 2.278 2.239 2.301 . 0 0 "[ . 1 . 2]" 1
1591 1 107 GLY H 1 107 GLY HA2 2.840 . 3.850 2.318 2.287 2.371 . 0 0 "[ . 1 . 2]" 1
1592 1 107 GLY H 1 108 PHE H 3.240 . 4.550 2.996 2.800 3.150 . 0 0 "[ . 1 . 2]" 1
1593 1 107 GLY HA2 1 108 PHE H 3.390 . 4.830 3.474 3.186 3.548 . 0 0 "[ . 1 . 2]" 1
1594 1 107 GLY HA3 1 108 PHE H 3.090 . 4.280 3.061 2.917 3.495 . 0 0 "[ . 1 . 2]" 1
1595 1 108 PHE H 1 108 PHE HA 2.840 . 3.850 2.409 2.306 2.935 . 0 0 "[ . 1 . 2]" 1
1596 1 108 PHE H 1 108 PHE HB2 2.810 . 3.790 3.495 2.925 4.025 0.235 11 0 "[ . 1 . 2]" 1
1597 1 108 PHE H 1 108 PHE HB3 3.090 . 4.290 3.267 2.503 4.054 . 0 0 "[ . 1 . 2]" 1
1598 1 108 PHE H 1 108 PHE QD 3.200 . 4.480 3.553 2.215 4.274 . 0 0 "[ . 1 . 2]" 1
1599 1 108 PHE HA 1 108 PHE HB2 2.640 . 3.510 2.578 2.412 2.898 . 0 0 "[ . 1 . 2]" 1
1600 1 108 PHE HA 1 108 PHE HB3 2.560 . 3.380 2.704 2.380 3.054 . 0 0 "[ . 1 . 2]" 1
1601 1 108 PHE HA 1 108 PHE QD 3.350 . 4.750 3.317 2.772 3.768 . 0 0 "[ . 1 . 2]" 1
1602 1 108 PHE HA 1 109 GLU H 2.610 . 3.460 2.757 2.330 3.462 0.002 13 0 "[ . 1 . 2]" 1
1603 1 108 PHE HB2 1 108 PHE QD 2.950 . 4.040 2.402 2.360 2.460 . 0 0 "[ . 1 . 2]" 1
1604 1 108 PHE HB2 1 109 GLU H 4.190 . 6.390 4.392 3.871 4.668 . 0 0 "[ . 1 . 2]" 1
1605 1 108 PHE HB3 1 108 PHE QD 2.760 . 3.710 2.377 2.331 2.434 . 0 0 "[ . 1 . 2]" 1
1606 1 108 PHE HB3 1 109 GLU H 3.800 . 5.600 4.393 3.772 4.713 . 0 0 "[ . 1 . 2]" 1
1607 1 109 GLU H 1 109 GLU HA 2.990 . 4.100 2.661 2.251 2.946 . 0 0 "[ . 1 . 2]" 1
1608 1 109 GLU H 1 109 GLU HB2 3.200 . 4.480 3.412 2.584 4.060 . 0 0 "[ . 1 . 2]" 1
1609 1 109 GLU H 1 109 GLU HB3 3.380 . 4.810 3.295 2.728 4.067 . 0 0 "[ . 1 . 2]" 1
1610 1 109 GLU H 1 109 GLU QG 3.910 . 5.820 3.914 2.756 4.524 . 0 0 "[ . 1 . 2]" 1
1611 1 109 GLU HA 1 109 GLU QG 3.440 . 4.920 3.002 2.613 3.377 . 0 0 "[ . 1 . 2]" 1
1612 1 109 GLU HB2 1 109 GLU QG 2.660 . 3.540 2.332 2.156 2.434 . 0 0 "[ . 1 . 2]" 1
1613 1 109 GLU HB3 1 109 GLU QG 1.980 . 2.470 2.229 2.154 2.406 . 0 0 "[ . 1 . 2]" 1
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