NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
526485 |
2lm1   |
18095 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lm1
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 1723
_Distance_constraint_stats_list.Viol_count 1644
_Distance_constraint_stats_list.Viol_total 2963.994
_Distance_constraint_stats_list.Viol_max 0.586
_Distance_constraint_stats_list.Viol_rms 0.0248
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0043
_Distance_constraint_stats_list.Viol_average_violations_only 0.0901
_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 2 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLN 1.663 0.287 18 0 "[ . 1 . 2]"
1 5 ARG 3.781 0.333 16 0 "[ . 1 . 2]"
1 6 LEU 2.559 0.333 16 0 "[ . 1 . 2]"
1 7 ASN 3.293 0.279 20 0 "[ . 1 . 2]"
1 8 GLU 3.152 0.279 20 0 "[ . 1 . 2]"
1 9 LEU 1.687 0.304 1 0 "[ . 1 . 2]"
1 10 GLU 2.200 0.311 8 0 "[ . 1 . 2]"
1 11 ALA 4.611 0.347 18 0 "[ . 1 . 2]"
1 12 LYS 4.963 0.417 1 0 "[ . 1 . 2]"
1 13 THR 5.053 0.417 1 0 "[ . 1 . 2]"
1 14 ARG 2.945 0.266 11 0 "[ . 1 . 2]"
1 15 VAL 0.101 0.060 3 0 "[ . 1 . 2]"
1 16 LYS 2.117 0.244 19 0 "[ . 1 . 2]"
1 17 LEU 6.613 0.298 15 0 "[ . 1 . 2]"
1 18 ASN 0.625 0.237 1 0 "[ . 1 . 2]"
1 19 PHE 4.381 0.237 1 0 "[ . 1 . 2]"
1 20 LEU 0.900 0.211 11 0 "[ . 1 . 2]"
1 21 ASP 3.885 0.298 15 0 "[ . 1 . 2]"
1 22 GLN 1.602 0.183 12 0 "[ . 1 . 2]"
1 23 ILE 1.931 0.207 5 0 "[ . 1 . 2]"
1 24 ALA 2.351 0.202 19 0 "[ . 1 . 2]"
1 25 LYS 0.510 0.121 13 0 "[ . 1 . 2]"
1 26 PHE 0.755 0.192 8 0 "[ . 1 . 2]"
1 27 TRP 5.050 0.356 5 0 "[ . 1 . 2]"
1 28 GLU 1.051 0.356 5 0 "[ . 1 . 2]"
1 29 LEU 2.654 0.187 5 0 "[ . 1 . 2]"
1 30 GLN 1.083 0.149 10 0 "[ . 1 . 2]"
1 31 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 SER 0.467 0.236 15 0 "[ . 1 . 2]"
1 34 LEU 6.066 0.236 15 0 "[ . 1 . 2]"
1 35 LYS 0.959 0.127 17 0 "[ . 1 . 2]"
1 36 ILE 0.983 0.219 2 0 "[ . 1 . 2]"
1 37 PRO 5.785 0.287 5 0 "[ . 1 . 2]"
1 38 MET 7.199 0.367 14 0 "[ . 1 . 2]"
1 39 VAL 3.439 0.355 3 0 "[ . 1 . 2]"
1 40 GLU 4.000 0.340 18 0 "[ . 1 . 2]"
1 41 ARG 4.250 0.265 15 0 "[ . 1 . 2]"
1 42 LYS 7.441 0.355 3 0 "[ . 1 . 2]"
1 43 ALA 8.369 0.386 15 0 "[ . 1 . 2]"
1 44 LEU 18.899 0.386 15 0 "[ . 1 . 2]"
1 45 ASP 6.714 0.263 14 0 "[ . 1 . 2]"
1 46 LEU 2.641 0.375 2 0 "[ . 1 . 2]"
1 47 TYR 5.909 0.244 19 0 "[ . 1 . 2]"
1 48 THR 1.588 0.179 12 0 "[ . 1 . 2]"
1 49 LEU 0.122 0.098 14 0 "[ . 1 . 2]"
1 50 HIS 0.556 0.164 11 0 "[ . 1 . 2]"
1 51 ARG 2.464 0.204 10 0 "[ . 1 . 2]"
1 52 ILE 3.051 0.204 10 0 "[ . 1 . 2]"
1 53 VAL 1.311 0.257 10 0 "[ . 1 . 2]"
1 54 GLN 0.274 0.195 10 0 "[ . 1 . 2]"
1 55 GLU 0.377 0.195 10 0 "[ . 1 . 2]"
1 56 GLU 0.305 0.178 14 0 "[ . 1 . 2]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 GLY 0.025 0.025 11 0 "[ . 1 . 2]"
1 59 MET 2.093 0.222 18 0 "[ . 1 . 2]"
1 60 GLU 1.624 0.257 10 0 "[ . 1 . 2]"
1 61 GLN 2.564 0.227 2 0 "[ . 1 . 2]"
1 62 THR 1.767 0.222 18 0 "[ . 1 . 2]"
1 63 THR 0.604 0.137 14 0 "[ . 1 . 2]"
1 64 LYS 1.402 0.160 3 0 "[ . 1 . 2]"
1 65 ASP 4.514 0.227 2 0 "[ . 1 . 2]"
1 66 ARG 0.481 0.137 14 0 "[ . 1 . 2]"
1 67 LYS 0.980 0.217 13 0 "[ . 1 . 2]"
1 68 TRP 2.677 0.184 12 0 "[ . 1 . 2]"
1 69 ALA 0.846 0.358 1 0 "[ . 1 . 2]"
1 70 LYS 1.328 0.358 1 0 "[ . 1 . 2]"
1 71 VAL 0.006 0.006 17 0 "[ . 1 . 2]"
1 72 ALA 7.276 0.259 2 0 "[ . 1 . 2]"
1 73 ASN 0.903 0.159 10 0 "[ . 1 . 2]"
1 74 ARG 0.130 0.062 10 0 "[ . 1 . 2]"
1 75 MET 0.852 0.252 3 0 "[ . 1 . 2]"
1 76 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 TYR 5.187 0.252 3 0 "[ . 1 . 2]"
1 78 PRO 2.498 0.321 7 0 "[ . 1 . 2]"
1 79 SER 0.645 0.182 13 0 "[ . 1 . 2]"
1 81 LYS 1.694 0.586 5 1 "[ + 1 . 2]"
1 82 SER 0.325 0.065 12 0 "[ . 1 . 2]"
1 83 VAL 10.112 0.340 18 0 "[ . 1 . 2]"
1 84 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 ALA 0.422 0.085 17 0 "[ . 1 . 2]"
1 86 THR 0.517 0.135 16 0 "[ . 1 . 2]"
1 87 LEU 3.278 0.191 5 0 "[ . 1 . 2]"
1 88 LYS 6.281 0.265 12 0 "[ . 1 . 2]"
1 89 ALA 4.765 0.226 4 0 "[ . 1 . 2]"
1 90 HIS 4.180 0.239 18 0 "[ . 1 . 2]"
1 91 TYR 4.485 0.233 16 0 "[ . 1 . 2]"
1 92 GLU 10.120 0.265 12 0 "[ . 1 . 2]"
1 93 ARG 16.877 0.350 8 0 "[ . 1 . 2]"
1 94 ILE 7.876 0.350 8 0 "[ . 1 . 2]"
1 95 LEU 1.970 0.165 3 0 "[ . 1 . 2]"
1 96 HIS 2.672 0.281 14 0 "[ . 1 . 2]"
1 97 PRO 0.484 0.112 2 0 "[ . 1 . 2]"
1 98 PHE 1.575 0.192 8 0 "[ . 1 . 2]"
1 99 GLU 0.718 0.162 2 0 "[ . 1 . 2]"
1 100 VAL 0.246 0.047 19 0 "[ . 1 . 2]"
1 101 TYR 1.016 0.157 14 0 "[ . 1 . 2]"
1 102 THR 1.581 0.157 14 0 "[ . 1 . 2]"
1 103 SER 0.978 0.162 2 0 "[ . 1 . 2]"
1 104 GLY 0.366 0.127 16 0 "[ . 1 . 2]"
1 105 LYS 0.948 0.148 1 0 "[ . 1 . 2]"
1 106 VAL 0.439 0.228 14 0 "[ . 1 . 2]"
1 107 LEU 0.287 0.228 14 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 2 ARG HA 1 2 ARG QD 4.960 . 4.960 3.735 2.133 4.330 . 0 0 "[ . 1 . 2]" 1
2 1 2 ARG HA 1 2 ARG QG 3.730 . 3.730 2.647 2.399 3.408 . 0 0 "[ . 1 . 2]" 1
3 1 3 VAL HB 1 4 GLN H 5.520 . 5.520 4.051 2.516 4.553 . 0 0 "[ . 1 . 2]" 1
4 1 4 GLN H 1 4 GLN QG 4.780 . 4.780 3.599 2.008 4.558 . 0 0 "[ . 1 . 2]" 1
5 1 4 GLN QE 1 5 ARG QB 5.180 . 5.180 3.927 2.550 4.916 . 0 0 "[ . 1 . 2]" 1
6 1 4 GLN QE 1 5 ARG QG 3.920 . 3.920 2.829 1.799 3.768 . 0 0 "[ . 1 . 2]" 1
7 1 4 GLN HE21 1 5 ARG QG 4.540 . 4.540 3.039 1.811 4.744 0.204 9 0 "[ . 1 . 2]" 1
8 1 4 GLN HE22 1 5 ARG QG 4.540 . 4.540 3.862 2.490 4.690 0.150 14 0 "[ . 1 . 2]" 1
9 1 4 GLN QG 1 5 ARG QB 5.100 . 5.100 3.799 2.195 5.387 0.287 18 0 "[ . 1 . 2]" 1
10 1 4 GLN QG 1 5 ARG QD 4.040 . 4.040 3.576 2.670 4.157 0.117 6 0 "[ . 1 . 2]" 1
11 1 5 ARG H 1 5 ARG QG 4.790 . 4.790 2.992 2.109 4.199 . 0 0 "[ . 1 . 2]" 1
12 1 5 ARG HA 1 6 LEU H 3.480 . 3.480 2.429 2.101 3.569 0.089 13 0 "[ . 1 . 2]" 1
13 1 5 ARG HA 1 6 LEU QB 4.460 . 4.460 4.327 3.855 4.630 0.170 4 0 "[ . 1 . 2]" 1
14 1 5 ARG QB 1 5 ARG QD 3.310 . 3.310 2.448 2.161 2.852 . 0 0 "[ . 1 . 2]" 1
15 1 5 ARG QB 1 6 LEU H 4.420 . 4.420 2.758 1.945 3.913 . 0 0 "[ . 1 . 2]" 1
16 1 5 ARG HB2 1 6 LEU H 5.030 . 5.030 3.597 1.996 4.713 . 0 0 "[ . 1 . 2]" 1
17 1 5 ARG HB3 1 6 LEU H 5.030 . 5.030 3.161 1.964 4.471 . 0 0 "[ . 1 . 2]" 1
18 1 5 ARG QG 1 6 LEU H 3.940 . 3.940 3.856 2.693 4.273 0.333 16 0 "[ . 1 . 2]" 1
19 1 6 LEU H 1 6 LEU QB 3.760 . 3.760 2.803 2.276 3.379 . 0 0 "[ . 1 . 2]" 1
20 1 6 LEU H 1 6 LEU MD1 5.660 . 5.660 3.403 2.114 4.825 . 0 0 "[ . 1 . 2]" 1
21 1 6 LEU H 1 6 LEU QD 4.870 . 4.870 2.993 2.028 4.144 . 0 0 "[ . 1 . 2]" 1
22 1 6 LEU H 1 6 LEU MD2 5.660 . 5.660 4.156 2.031 4.849 . 0 0 "[ . 1 . 2]" 1
23 1 6 LEU HA 1 6 LEU QD 3.530 . 3.530 2.636 2.012 3.508 . 0 0 "[ . 1 . 2]" 1
24 1 6 LEU HA 1 6 LEU HG 4.080 . 4.080 3.042 2.487 3.863 . 0 0 "[ . 1 . 2]" 1
25 1 6 LEU HA 1 7 ASN H 3.750 . 3.750 2.837 2.161 3.596 . 0 0 "[ . 1 . 2]" 1
26 1 6 LEU HA 1 7 ASN QB 4.670 . 4.670 4.444 3.969 4.871 0.201 14 0 "[ . 1 . 2]" 1
27 1 6 LEU QB 1 7 ASN H 4.620 . 4.620 3.079 1.895 4.039 . 0 0 "[ . 1 . 2]" 1
28 1 6 LEU QB 1 7 ASN QB 4.760 . 4.760 4.169 3.252 4.788 0.028 1 0 "[ . 1 . 2]" 1
29 1 7 ASN H 1 8 GLU QB 5.190 . 5.190 4.953 4.381 5.395 0.205 14 0 "[ . 1 . 2]" 1
30 1 7 ASN HA 1 7 ASN QD 4.640 . 4.640 3.463 1.770 4.158 . 0 0 "[ . 1 . 2]" 1
31 1 7 ASN HA 1 7 ASN HD22 5.540 . 5.540 4.396 3.251 5.182 . 0 0 "[ . 1 . 2]" 1
32 1 7 ASN HA 1 8 GLU H 3.570 . 3.570 2.271 2.109 2.564 . 0 0 "[ . 1 . 2]" 1
33 1 7 ASN HA 1 8 GLU QB 4.880 . 4.880 4.191 3.865 4.689 . 0 0 "[ . 1 . 2]" 1
34 1 7 ASN HA 1 9 LEU H 4.890 . 4.890 4.416 3.459 4.913 0.023 17 0 "[ . 1 . 2]" 1
35 1 7 ASN QB 1 8 GLU H 3.990 . 3.990 3.469 2.241 4.063 0.073 15 0 "[ . 1 . 2]" 1
36 1 7 ASN QB 1 8 GLU QB 5.160 . 5.160 4.990 3.691 5.349 0.189 19 0 "[ . 1 . 2]" 1
37 1 7 ASN QB 1 9 LEU H 5.750 . 5.750 4.988 2.531 5.917 0.167 16 0 "[ . 1 . 2]" 1
38 1 7 ASN QD 1 8 GLU H 5.330 . 5.330 3.824 2.997 4.607 . 0 0 "[ . 1 . 2]" 1
39 1 7 ASN QD 1 8 GLU HA 5.230 . 5.230 4.836 3.964 5.509 0.279 20 0 "[ . 1 . 2]" 1
40 1 7 ASN QD 1 8 GLU QB 5.580 . 5.580 5.229 4.452 5.718 0.138 18 0 "[ . 1 . 2]" 1
41 1 8 GLU H 1 8 GLU QB 3.690 . 3.690 2.635 2.224 3.348 . 0 0 "[ . 1 . 2]" 1
42 1 8 GLU H 1 8 GLU QG 4.560 . 4.560 3.666 2.086 4.305 . 0 0 "[ . 1 . 2]" 1
43 1 8 GLU H 1 9 LEU H 4.070 . 4.070 2.579 1.866 3.888 . 0 0 "[ . 1 . 2]" 1
44 1 8 GLU H 1 9 LEU QB 5.610 . 5.610 4.726 3.430 5.403 . 0 0 "[ . 1 . 2]" 1
45 1 8 GLU HA 1 8 GLU QG 3.600 . 3.600 2.891 2.433 3.400 . 0 0 "[ . 1 . 2]" 1
46 1 8 GLU HA 1 9 LEU H 3.720 . 3.720 3.570 3.231 3.646 . 0 0 "[ . 1 . 2]" 1
47 1 8 GLU QB 1 9 LEU H 3.890 . 3.890 2.517 2.015 3.944 0.054 11 0 "[ . 1 . 2]" 1
48 1 8 GLU QB 1 9 LEU HA 5.090 . 5.090 4.469 4.239 4.783 . 0 0 "[ . 1 . 2]" 1
49 1 8 GLU QB 1 9 LEU QB 5.420 . 5.420 4.195 3.664 5.453 0.033 15 0 "[ . 1 . 2]" 1
50 1 8 GLU QG 1 9 LEU QB 4.230 . 4.230 3.836 2.809 4.382 0.152 3 0 "[ . 1 . 2]" 1
51 1 8 GLU QG 1 9 LEU HG 5.070 . 5.070 2.915 1.774 5.159 0.089 9 0 "[ . 1 . 2]" 1
52 1 9 LEU H 1 9 LEU HB2 3.790 . 3.790 2.563 2.267 2.778 . 0 0 "[ . 1 . 2]" 1
53 1 9 LEU H 1 9 LEU QB 3.070 . 3.070 2.506 2.171 2.719 . 0 0 "[ . 1 . 2]" 1
54 1 9 LEU H 1 9 LEU HB3 3.790 . 3.790 3.621 2.586 3.862 0.072 6 0 "[ . 1 . 2]" 1
55 1 9 LEU H 1 9 LEU QD 4.480 . 4.480 3.155 1.879 3.837 . 0 0 "[ . 1 . 2]" 1
56 1 9 LEU H 1 9 LEU HG 4.410 . 4.410 3.278 2.270 4.524 0.114 11 0 "[ . 1 . 2]" 1
57 1 9 LEU H 1 10 GLU H 3.360 . 3.360 2.755 1.997 3.343 . 0 0 "[ . 1 . 2]" 1
58 1 9 LEU HA 1 9 LEU MD1 4.140 . 4.140 3.703 2.691 3.968 . 0 0 "[ . 1 . 2]" 1
59 1 9 LEU HA 1 9 LEU QD 3.380 . 3.380 2.386 2.066 3.081 . 0 0 "[ . 1 . 2]" 1
60 1 9 LEU HA 1 9 LEU MD2 4.140 . 4.140 2.622 2.074 3.850 . 0 0 "[ . 1 . 2]" 1
61 1 9 LEU HA 1 10 GLU QB 5.590 . 5.590 4.826 4.070 5.537 . 0 0 "[ . 1 . 2]" 1
62 1 9 LEU QB 1 10 GLU H 3.540 . 3.540 2.070 1.794 2.815 . 0 0 "[ . 1 . 2]" 1
63 1 9 LEU QB 1 10 GLU HA 4.970 . 4.970 4.180 3.756 4.432 . 0 0 "[ . 1 . 2]" 1
64 1 9 LEU QB 1 10 GLU QB 3.820 . 3.820 3.516 3.154 4.124 0.304 1 0 "[ . 1 . 2]" 1
65 1 9 LEU HB2 1 10 GLU H 4.220 . 4.220 2.254 1.825 3.525 . 0 0 "[ . 1 . 2]" 1
66 1 9 LEU HB3 1 10 GLU H 4.220 . 4.220 2.898 2.036 3.558 . 0 0 "[ . 1 . 2]" 1
67 1 9 LEU QD 1 10 GLU H 4.830 . 4.830 3.672 2.925 4.127 . 0 0 "[ . 1 . 2]" 1
68 1 10 GLU H 1 10 GLU QB 3.130 . 3.130 2.723 2.263 3.074 . 0 0 "[ . 1 . 2]" 1
69 1 10 GLU HA 1 11 ALA H 3.580 . 3.580 2.480 2.104 3.559 . 0 0 "[ . 1 . 2]" 1
70 1 10 GLU HA 1 11 ALA MB 4.250 . 4.250 4.126 3.934 4.325 0.075 20 0 "[ . 1 . 2]" 1
71 1 10 GLU QB 1 11 ALA H 3.840 . 3.840 3.330 1.909 3.977 0.137 18 0 "[ . 1 . 2]" 1
72 1 10 GLU QB 1 11 ALA MB 4.760 . 4.760 4.551 3.368 5.071 0.311 8 0 "[ . 1 . 2]" 1
73 1 11 ALA H 1 11 ALA MB 3.230 . 3.230 2.681 2.274 3.022 . 0 0 "[ . 1 . 2]" 1
74 1 11 ALA H 1 12 LYS QB 4.970 . 4.970 4.664 3.519 5.287 0.317 17 0 "[ . 1 . 2]" 1
75 1 11 ALA HA 1 12 LYS H 3.680 . 3.680 2.572 2.096 3.601 . 0 0 "[ . 1 . 2]" 1
76 1 11 ALA HA 1 12 LYS QD 5.110 . 5.110 4.920 2.825 5.457 0.347 18 0 "[ . 1 . 2]" 1
77 1 11 ALA MB 1 12 LYS H 4.150 . 4.150 3.342 2.185 3.736 . 0 0 "[ . 1 . 2]" 1
78 1 11 ALA MB 1 13 THR H 5.780 . 5.780 4.191 2.942 5.312 . 0 0 "[ . 1 . 2]" 1
79 1 12 LYS H 1 12 LYS QD 5.170 . 5.170 3.397 1.919 4.702 . 0 0 "[ . 1 . 2]" 1
80 1 12 LYS H 1 12 LYS QG 4.030 . 4.030 2.978 1.754 4.290 0.260 4 0 "[ . 1 . 2]" 1
81 1 12 LYS H 1 13 THR H 3.520 . 3.520 2.587 1.754 3.693 0.173 11 0 "[ . 1 . 2]" 1
82 1 12 LYS QE 1 12 LYS QG 3.350 . 3.350 2.396 2.173 2.880 . 0 0 "[ . 1 . 2]" 1
83 1 12 LYS QG 1 13 THR H 4.630 . 4.630 3.614 1.973 4.743 0.113 3 0 "[ . 1 . 2]" 1
84 1 12 LYS QG 1 13 THR HA 5.470 . 5.470 4.604 3.414 5.887 0.417 1 0 "[ . 1 . 2]" 1
85 1 13 THR H 1 13 THR HB 3.930 . 3.930 3.712 3.583 3.984 0.054 18 0 "[ . 1 . 2]" 1
86 1 13 THR H 1 13 THR MG 4.600 . 4.600 2.784 2.059 4.083 . 0 0 "[ . 1 . 2]" 1
87 1 13 THR HA 1 13 THR MG 3.450 . 3.450 2.400 2.343 2.579 . 0 0 "[ . 1 . 2]" 1
88 1 13 THR HA 1 16 LYS H 5.020 . 5.020 4.305 3.554 5.162 0.142 18 0 "[ . 1 . 2]" 1
89 1 13 THR HA 1 16 LYS QB 4.850 . 4.850 4.062 2.890 4.890 0.040 16 0 "[ . 1 . 2]" 1
90 1 13 THR HB 1 14 ARG H 4.390 . 4.390 3.720 2.084 4.468 0.078 13 0 "[ . 1 . 2]" 1
91 1 13 THR HB 1 14 ARG HA 4.960 . 4.960 4.985 4.700 5.226 0.266 11 0 "[ . 1 . 2]" 1
92 1 13 THR HB 1 16 LYS QD 5.390 . 5.390 3.022 1.961 4.448 . 0 0 "[ . 1 . 2]" 1
93 1 13 THR HB 1 16 LYS QG 4.400 . 4.400 3.224 2.025 4.185 . 0 0 "[ . 1 . 2]" 1
94 1 13 THR HB 1 17 LEU H 4.640 . 4.640 3.570 2.637 4.456 . 0 0 "[ . 1 . 2]" 1
95 1 13 THR MG 1 14 ARG H 4.680 . 4.680 4.028 2.642 4.485 . 0 0 "[ . 1 . 2]" 1
96 1 13 THR MG 1 14 ARG HA 5.740 . 5.740 5.578 4.311 5.786 0.046 2 0 "[ . 1 . 2]" 1
97 1 13 THR MG 1 16 LYS H 5.780 . 5.780 4.378 2.354 4.996 . 0 0 "[ . 1 . 2]" 1
98 1 13 THR MG 1 16 LYS QB 3.840 . 3.840 3.169 2.309 3.659 . 0 0 "[ . 1 . 2]" 1
99 1 13 THR MG 1 16 LYS QD 4.320 . 4.320 2.629 1.793 4.474 0.154 4 0 "[ . 1 . 2]" 1
100 1 13 THR MG 1 16 LYS QE 4.030 . 4.030 3.421 2.285 4.194 0.164 19 0 "[ . 1 . 2]" 1
101 1 13 THR MG 1 17 LEU H 4.920 . 4.920 4.658 3.648 5.145 0.225 16 0 "[ . 1 . 2]" 1
102 1 13 THR MG 1 17 LEU HB2 5.640 . 5.640 5.236 3.908 5.724 0.084 16 0 "[ . 1 . 2]" 1
103 1 14 ARG H 1 14 ARG QB 3.400 . 3.400 2.447 2.223 2.564 . 0 0 "[ . 1 . 2]" 1
104 1 14 ARG H 1 14 ARG QG 4.320 . 4.320 2.889 2.271 4.132 . 0 0 "[ . 1 . 2]" 1
105 1 14 ARG H 1 15 VAL H 3.690 . 3.690 2.676 2.432 3.054 . 0 0 "[ . 1 . 2]" 1
106 1 14 ARG H 1 15 VAL QG 5.710 . 5.710 3.789 3.528 4.170 . 0 0 "[ . 1 . 2]" 1
107 1 14 ARG H 1 16 LYS H 4.070 . 4.070 3.749 3.057 4.169 0.099 1 0 "[ . 1 . 2]" 1
108 1 14 ARG H 1 16 LYS QD 5.780 . 5.780 5.399 4.220 5.981 0.201 5 0 "[ . 1 . 2]" 1
109 1 14 ARG HA 1 14 ARG QD 4.840 . 4.840 3.846 2.049 4.321 . 0 0 "[ . 1 . 2]" 1
110 1 14 ARG HA 1 14 ARG QG 3.570 . 3.570 2.517 2.357 2.930 . 0 0 "[ . 1 . 2]" 1
111 1 14 ARG HA 1 16 LYS H 4.680 . 4.680 4.414 4.072 4.688 0.008 8 0 "[ . 1 . 2]" 1
112 1 14 ARG HA 1 17 LEU H 5.780 . 5.780 4.059 3.225 5.098 . 0 0 "[ . 1 . 2]" 1
113 1 14 ARG HA 1 18 ASN H 5.040 . 5.040 4.539 4.236 5.073 0.033 18 0 "[ . 1 . 2]" 1
114 1 14 ARG QB 1 14 ARG QD 3.340 . 3.340 2.335 2.149 2.801 . 0 0 "[ . 1 . 2]" 1
115 1 14 ARG QB 1 15 VAL H 3.550 . 3.550 2.376 2.078 2.987 . 0 0 "[ . 1 . 2]" 1
116 1 14 ARG QB 1 15 VAL QG 5.090 . 5.090 3.785 3.407 4.325 . 0 0 "[ . 1 . 2]" 1
117 1 14 ARG QB 1 16 LYS H 5.310 . 5.310 4.492 4.029 4.874 . 0 0 "[ . 1 . 2]" 1
118 1 14 ARG QG 1 15 VAL H 4.630 . 4.630 3.971 3.132 4.354 . 0 0 "[ . 1 . 2]" 1
119 1 15 VAL H 1 15 VAL HB 3.220 . 3.220 2.551 2.464 2.653 . 0 0 "[ . 1 . 2]" 1
120 1 15 VAL H 1 15 VAL MG1 4.090 . 4.090 2.164 2.007 2.259 . 0 0 "[ . 1 . 2]" 1
121 1 15 VAL H 1 15 VAL QG 3.170 . 3.170 2.153 2.000 2.244 . 0 0 "[ . 1 . 2]" 1
122 1 15 VAL H 1 15 VAL MG2 4.090 . 4.090 3.832 3.808 3.865 . 0 0 "[ . 1 . 2]" 1
123 1 15 VAL H 1 16 LYS H 3.600 . 3.600 2.655 2.557 2.833 . 0 0 "[ . 1 . 2]" 1
124 1 15 VAL H 1 16 LYS QB 5.610 . 5.610 4.697 4.545 4.919 . 0 0 "[ . 1 . 2]" 1
125 1 15 VAL H 1 18 ASN H 5.200 . 5.200 4.789 4.641 4.923 . 0 0 "[ . 1 . 2]" 1
126 1 15 VAL HA 1 15 VAL MG1 3.500 . 3.500 3.274 3.267 3.281 . 0 0 "[ . 1 . 2]" 1
127 1 15 VAL HA 1 15 VAL MG2 3.500 . 3.500 2.381 2.333 2.428 . 0 0 "[ . 1 . 2]" 1
128 1 15 VAL HA 1 18 ASN H 4.300 . 4.300 3.482 3.164 3.720 . 0 0 "[ . 1 . 2]" 1
129 1 15 VAL HA 1 18 ASN HB2 4.240 . 4.240 2.331 1.943 2.634 . 0 0 "[ . 1 . 2]" 1
130 1 15 VAL HA 1 18 ASN QB 3.660 . 3.660 2.208 1.902 2.469 . 0 0 "[ . 1 . 2]" 1
131 1 15 VAL HA 1 18 ASN HB3 4.240 . 4.240 2.851 2.127 3.554 . 0 0 "[ . 1 . 2]" 1
132 1 15 VAL HA 1 18 ASN QD 4.740 . 4.740 4.086 3.061 4.800 0.060 3 0 "[ . 1 . 2]" 1
133 1 15 VAL HB 1 16 LYS H 4.440 . 4.440 4.097 4.029 4.215 . 0 0 "[ . 1 . 2]" 1
134 1 15 VAL QG 1 16 LYS HA 4.000 . 4.000 3.218 3.083 3.371 . 0 0 "[ . 1 . 2]" 1
135 1 15 VAL QG 1 16 LYS QB 5.170 . 5.170 3.742 3.461 3.909 . 0 0 "[ . 1 . 2]" 1
136 1 15 VAL QG 1 16 LYS QD 4.980 . 4.980 3.854 2.200 4.409 . 0 0 "[ . 1 . 2]" 1
137 1 15 VAL QG 1 16 LYS QE 5.710 . 5.710 3.728 2.615 4.274 . 0 0 "[ . 1 . 2]" 1
138 1 15 VAL QG 1 17 LEU H 5.710 . 5.710 4.478 4.262 4.713 . 0 0 "[ . 1 . 2]" 1
139 1 15 VAL QG 1 19 PHE H 5.710 . 5.710 5.101 4.493 5.643 . 0 0 "[ . 1 . 2]" 1
140 1 15 VAL MG1 1 16 LYS H 4.230 . 4.230 2.442 2.208 2.732 . 0 0 "[ . 1 . 2]" 1
141 1 15 VAL MG2 1 16 LYS H 4.230 . 4.230 3.928 3.732 4.148 . 0 0 "[ . 1 . 2]" 1
142 1 16 LYS H 1 16 LYS HB2 3.830 . 3.830 2.470 2.398 2.588 . 0 0 "[ . 1 . 2]" 1
143 1 16 LYS H 1 16 LYS QB 3.340 . 3.340 2.430 2.365 2.534 . 0 0 "[ . 1 . 2]" 1
144 1 16 LYS H 1 16 LYS HB3 3.830 . 3.830 3.612 3.579 3.650 . 0 0 "[ . 1 . 2]" 1
145 1 16 LYS H 1 16 LYS QD 4.500 . 4.500 3.838 3.115 4.419 . 0 0 "[ . 1 . 2]" 1
146 1 16 LYS H 1 16 LYS HG2 4.630 . 4.630 3.329 2.096 3.717 . 0 0 "[ . 1 . 2]" 1
147 1 16 LYS H 1 16 LYS QG 3.960 . 3.960 2.325 2.082 2.498 . 0 0 "[ . 1 . 2]" 1
148 1 16 LYS H 1 16 LYS HG3 4.630 . 4.630 2.581 2.226 3.742 . 0 0 "[ . 1 . 2]" 1
149 1 16 LYS H 1 17 LEU H 3.750 . 3.750 2.718 2.593 2.840 . 0 0 "[ . 1 . 2]" 1
150 1 16 LYS H 1 17 LEU HB2 5.780 . 5.780 4.771 4.425 4.989 . 0 0 "[ . 1 . 2]" 1
151 1 16 LYS H 1 18 ASN H 5.100 . 5.100 3.655 3.538 3.890 . 0 0 "[ . 1 . 2]" 1
152 1 16 LYS HA 1 16 LYS HG2 4.340 . 4.340 2.655 2.463 3.335 . 0 0 "[ . 1 . 2]" 1
153 1 16 LYS HA 1 16 LYS HG3 4.340 . 4.340 3.220 3.013 3.842 . 0 0 "[ . 1 . 2]" 1
154 1 16 LYS HA 1 17 LEU HA 5.780 . 5.780 4.743 4.685 4.854 . 0 0 "[ . 1 . 2]" 1
155 1 16 LYS HA 1 17 LEU QD 5.340 . 5.340 4.290 4.083 4.949 . 0 0 "[ . 1 . 2]" 1
156 1 16 LYS HA 1 18 ASN H 4.410 . 4.410 4.014 3.762 4.134 . 0 0 "[ . 1 . 2]" 1
157 1 16 LYS HA 1 18 ASN HB2 5.780 . 5.780 5.645 5.410 5.911 0.131 9 0 "[ . 1 . 2]" 1
158 1 16 LYS HA 1 18 ASN QB 4.920 . 4.920 4.670 4.475 4.936 0.016 15 0 "[ . 1 . 2]" 1
159 1 16 LYS HA 1 18 ASN HB3 5.780 . 5.780 4.989 4.700 5.375 . 0 0 "[ . 1 . 2]" 1
160 1 16 LYS HA 1 19 PHE H 5.420 . 5.420 4.718 3.865 5.107 . 0 0 "[ . 1 . 2]" 1
161 1 16 LYS HA 1 47 TYR QD 4.920 . 4.920 3.477 2.836 4.287 . 0 0 "[ . 1 . 2]" 1
162 1 16 LYS HA 1 47 TYR QE 4.050 . 4.050 3.254 2.780 4.056 0.006 1 0 "[ . 1 . 2]" 1
163 1 16 LYS QB 1 16 LYS QE 4.010 . 4.010 3.521 2.052 3.747 . 0 0 "[ . 1 . 2]" 1
164 1 16 LYS QB 1 17 LEU H 3.280 . 3.280 2.368 2.201 2.554 . 0 0 "[ . 1 . 2]" 1
165 1 16 LYS QB 1 17 LEU HA 4.620 . 4.620 4.054 3.960 4.168 . 0 0 "[ . 1 . 2]" 1
166 1 16 LYS QB 1 17 LEU HB2 4.200 . 4.200 4.074 3.919 4.253 0.053 5 0 "[ . 1 . 2]" 1
167 1 16 LYS QB 1 17 LEU HB3 5.610 . 5.610 5.277 5.150 5.451 . 0 0 "[ . 1 . 2]" 1
168 1 16 LYS QB 1 17 LEU QD 3.940 . 3.940 2.540 2.210 3.352 . 0 0 "[ . 1 . 2]" 1
169 1 16 LYS QB 1 18 ASN H 5.240 . 5.240 4.331 4.259 4.441 . 0 0 "[ . 1 . 2]" 1
170 1 16 LYS QB 1 47 TYR QB 5.440 . 5.440 3.178 2.552 3.748 . 0 0 "[ . 1 . 2]" 1
171 1 16 LYS QB 1 47 TYR QD 4.660 . 4.660 2.998 2.578 3.222 . 0 0 "[ . 1 . 2]" 1
172 1 16 LYS QB 1 47 TYR QE 4.350 . 4.350 3.259 2.587 3.700 . 0 0 "[ . 1 . 2]" 1
173 1 16 LYS HB2 1 17 LEU HA 5.490 . 5.490 4.558 4.362 4.724 . 0 0 "[ . 1 . 2]" 1
174 1 16 LYS HB3 1 17 LEU HA 5.490 . 5.490 4.549 4.441 4.840 . 0 0 "[ . 1 . 2]" 1
175 1 16 LYS QD 1 17 LEU H 5.780 . 5.780 4.659 4.416 5.270 . 0 0 "[ . 1 . 2]" 1
176 1 16 LYS QD 1 17 LEU QD 5.470 . 5.470 3.976 3.405 5.032 . 0 0 "[ . 1 . 2]" 1
177 1 16 LYS QD 1 47 TYR QD 4.130 . 4.130 3.576 2.970 4.216 0.086 19 0 "[ . 1 . 2]" 1
178 1 16 LYS QD 1 47 TYR QE 4.150 . 4.150 2.825 2.364 3.346 . 0 0 "[ . 1 . 2]" 1
179 1 16 LYS QE 1 47 TYR QE 4.640 . 4.640 3.603 1.966 4.344 . 0 0 "[ . 1 . 2]" 1
180 1 16 LYS QG 1 47 TYR QE 3.560 . 3.560 3.309 2.921 3.804 0.244 19 0 "[ . 1 . 2]" 1
181 1 17 LEU H 1 17 LEU HB3 3.740 . 3.740 3.562 3.388 3.618 . 0 0 "[ . 1 . 2]" 1
182 1 17 LEU H 1 17 LEU QD 5.050 . 5.050 2.506 2.273 2.990 . 0 0 "[ . 1 . 2]" 1
183 1 17 LEU H 1 18 ASN H 3.360 . 3.360 2.617 2.539 2.783 . 0 0 "[ . 1 . 2]" 1
184 1 17 LEU H 1 18 ASN HB2 5.780 . 5.780 4.737 4.506 4.976 . 0 0 "[ . 1 . 2]" 1
185 1 17 LEU H 1 18 ASN QB 5.040 . 5.040 4.342 4.235 4.526 . 0 0 "[ . 1 . 2]" 1
186 1 17 LEU H 1 18 ASN HB3 5.780 . 5.780 5.056 4.860 5.204 . 0 0 "[ . 1 . 2]" 1
187 1 17 LEU H 1 19 PHE QD 5.780 . 5.780 5.246 4.498 5.697 . 0 0 "[ . 1 . 2]" 1
188 1 17 LEU H 1 47 TYR QB 5.610 . 5.610 4.336 3.941 4.978 . 0 0 "[ . 1 . 2]" 1
189 1 17 LEU H 1 47 TYR QE 5.780 . 5.780 5.920 5.797 6.023 0.243 6 0 "[ . 1 . 2]" 1
190 1 17 LEU HA 1 17 LEU QD 4.080 . 4.080 1.958 1.888 2.008 . 0 0 "[ . 1 . 2]" 1
191 1 17 LEU HA 1 19 PHE H 4.280 . 4.280 3.747 3.527 3.950 . 0 0 "[ . 1 . 2]" 1
192 1 17 LEU HA 1 19 PHE QD 4.790 . 4.790 3.996 2.516 4.562 . 0 0 "[ . 1 . 2]" 1
193 1 17 LEU HA 1 20 LEU H 4.300 . 4.300 3.353 3.120 3.841 . 0 0 "[ . 1 . 2]" 1
194 1 17 LEU HB3 1 17 LEU MD1 3.500 . 3.500 2.397 2.335 2.438 . 0 0 "[ . 1 . 2]" 1
195 1 17 LEU HB3 1 17 LEU MD2 3.500 . 3.500 3.253 3.238 3.268 . 0 0 "[ . 1 . 2]" 1
196 1 17 LEU HB3 1 18 ASN H 4.150 . 4.150 4.081 3.795 4.188 0.038 7 0 "[ . 1 . 2]" 1
197 1 17 LEU HB3 1 20 LEU H 4.780 . 4.780 4.566 4.256 4.830 0.050 16 0 "[ . 1 . 2]" 1
198 1 17 LEU QD 1 19 PHE H 5.350 . 5.350 4.730 4.545 4.908 . 0 0 "[ . 1 . 2]" 1
199 1 17 LEU QD 1 19 PHE QD 4.590 . 4.590 4.466 3.478 4.671 0.081 2 0 "[ . 1 . 2]" 1
200 1 17 LEU QD 1 20 LEU H 3.940 . 3.940 3.872 3.599 4.151 0.211 11 0 "[ . 1 . 2]" 1
201 1 17 LEU QD 1 21 ASP H 4.830 . 4.830 4.761 4.338 5.128 0.298 15 0 "[ . 1 . 2]" 1
202 1 17 LEU QD 1 46 LEU H 5.230 . 5.230 2.755 1.748 4.435 . 0 0 "[ . 1 . 2]" 1
203 1 17 LEU QD 1 47 TYR HA 5.470 . 5.470 3.879 3.410 4.767 . 0 0 "[ . 1 . 2]" 1
204 1 17 LEU QD 1 47 TYR QB 3.700 . 3.700 2.176 1.768 2.851 . 0 0 "[ . 1 . 2]" 1
205 1 17 LEU QD 1 47 TYR QD 4.750 . 4.750 3.470 3.116 3.949 . 0 0 "[ . 1 . 2]" 1
206 1 17 LEU QD 1 47 TYR QE 4.890 . 4.890 4.725 4.300 5.020 0.130 10 0 "[ . 1 . 2]" 1
207 1 17 LEU MD1 1 19 PHE QD 5.530 . 5.530 4.928 3.613 5.565 0.035 12 0 "[ . 1 . 2]" 1
208 1 17 LEU MD1 1 47 TYR H 4.480 . 4.480 2.665 2.058 4.290 . 0 0 "[ . 1 . 2]" 1
209 1 17 LEU MD2 1 19 PHE QD 5.530 . 5.530 5.145 4.530 5.437 . 0 0 "[ . 1 . 2]" 1
210 1 17 LEU MD2 1 47 TYR H 4.480 . 4.480 3.627 2.409 4.531 0.051 14 0 "[ . 1 . 2]" 1
211 1 18 ASN H 1 18 ASN HB2 3.640 . 3.640 2.506 2.398 2.644 . 0 0 "[ . 1 . 2]" 1
212 1 18 ASN H 1 18 ASN QB 3.080 . 3.080 2.269 2.238 2.337 . 0 0 "[ . 1 . 2]" 1
213 1 18 ASN H 1 18 ASN HB3 3.640 . 3.640 2.603 2.484 2.695 . 0 0 "[ . 1 . 2]" 1
214 1 18 ASN H 1 18 ASN QD 4.760 . 4.760 4.387 4.207 4.619 . 0 0 "[ . 1 . 2]" 1
215 1 18 ASN H 1 19 PHE H 3.540 . 3.540 2.792 2.421 2.955 . 0 0 "[ . 1 . 2]" 1
216 1 18 ASN H 1 19 PHE QD 5.120 . 5.120 4.469 3.694 5.357 0.237 1 0 "[ . 1 . 2]" 1
217 1 18 ASN HA 1 21 ASP H 4.240 . 4.240 3.115 2.724 3.572 . 0 0 "[ . 1 . 2]" 1
218 1 18 ASN HA 1 22 GLN H 5.020 . 5.020 4.181 3.809 4.752 . 0 0 "[ . 1 . 2]" 1
219 1 18 ASN QB 1 19 PHE H 3.660 . 3.660 2.822 2.458 3.097 . 0 0 "[ . 1 . 2]" 1
220 1 18 ASN QB 1 19 PHE QB 5.440 . 5.440 4.766 4.257 5.078 . 0 0 "[ . 1 . 2]" 1
221 1 18 ASN HB2 1 19 PHE H 4.180 . 4.180 4.044 3.787 4.189 0.009 16 0 "[ . 1 . 2]" 1
222 1 18 ASN HB3 1 19 PHE H 4.180 . 4.180 2.882 2.490 3.200 . 0 0 "[ . 1 . 2]" 1
223 1 19 PHE H 1 19 PHE QB 3.080 . 3.080 2.542 2.057 2.732 . 0 0 "[ . 1 . 2]" 1
224 1 19 PHE H 1 19 PHE QD 4.160 . 4.160 2.811 2.150 3.849 . 0 0 "[ . 1 . 2]" 1
225 1 19 PHE H 1 20 LEU H 3.590 . 3.590 2.731 2.636 2.821 . 0 0 "[ . 1 . 2]" 1
226 1 19 PHE H 1 47 TYR QD 5.540 . 5.540 5.083 4.766 5.494 . 0 0 "[ . 1 . 2]" 1
227 1 19 PHE HA 1 19 PHE QD 3.920 . 3.920 2.687 2.177 3.801 . 0 0 "[ . 1 . 2]" 1
228 1 19 PHE HA 1 22 GLN H 4.570 . 4.570 3.592 3.222 3.833 . 0 0 "[ . 1 . 2]" 1
229 1 19 PHE HA 1 22 GLN HA 5.780 . 5.780 5.598 5.102 5.963 0.183 12 0 "[ . 1 . 2]" 1
230 1 19 PHE HA 1 22 GLN QB 4.250 . 4.250 3.182 2.514 4.017 . 0 0 "[ . 1 . 2]" 1
231 1 19 PHE HA 1 22 GLN HE21 5.210 . 5.210 2.950 1.564 4.985 . 0 0 "[ . 1 . 2]" 1
232 1 19 PHE HA 1 22 GLN HG2 5.130 . 5.130 4.204 2.326 5.240 0.110 7 0 "[ . 1 . 2]" 1
233 1 19 PHE HA 1 22 GLN QG 4.430 . 4.430 2.968 2.308 3.686 . 0 0 "[ . 1 . 2]" 1
234 1 19 PHE HA 1 22 GLN HG3 5.130 . 5.130 3.232 2.388 3.855 . 0 0 "[ . 1 . 2]" 1
235 1 19 PHE HA 1 23 ILE MG 5.780 . 5.780 4.668 4.339 5.563 . 0 0 "[ . 1 . 2]" 1
236 1 19 PHE QB 1 20 LEU H 3.400 . 3.400 2.673 2.432 3.530 0.130 15 0 "[ . 1 . 2]" 1
237 1 19 PHE QB 1 47 TYR QD 5.380 . 5.380 4.270 3.620 5.123 . 0 0 "[ . 1 . 2]" 1
238 1 19 PHE QD 1 20 LEU H 4.260 . 4.260 3.896 2.473 4.315 0.055 9 0 "[ . 1 . 2]" 1
239 1 19 PHE QD 1 21 ASP H 5.780 . 5.780 5.756 4.898 5.956 0.176 8 0 "[ . 1 . 2]" 1
240 1 19 PHE QD 1 47 TYR H 5.780 . 5.780 5.686 5.034 5.885 0.105 17 0 "[ . 1 . 2]" 1
241 1 19 PHE QD 1 47 TYR HA 4.260 . 4.260 3.988 3.275 4.376 0.116 15 0 "[ . 1 . 2]" 1
242 1 19 PHE QD 1 47 TYR QB 4.360 . 4.360 3.931 3.256 4.391 0.031 16 0 "[ . 1 . 2]" 1
243 1 19 PHE QD 1 47 TYR QD 3.760 . 3.760 2.651 2.090 3.485 . 0 0 "[ . 1 . 2]" 1
244 1 20 LEU HA 1 23 ILE MG 5.460 . 5.460 2.183 1.973 2.454 . 0 0 "[ . 1 . 2]" 1
245 1 21 ASP H 1 21 ASP HB2 3.510 . 3.510 2.448 2.307 2.582 . 0 0 "[ . 1 . 2]" 1
246 1 21 ASP H 1 21 ASP HB3 3.510 . 3.510 3.219 2.381 3.614 0.104 14 0 "[ . 1 . 2]" 1
247 1 21 ASP H 1 22 GLN H 3.430 . 3.430 2.677 2.565 2.860 . 0 0 "[ . 1 . 2]" 1
248 1 21 ASP H 1 22 GLN QB 4.880 . 4.880 4.721 4.596 4.888 0.008 3 0 "[ . 1 . 2]" 1
249 1 21 ASP H 1 24 ALA MB 4.710 . 4.710 4.362 4.107 4.654 . 0 0 "[ . 1 . 2]" 1
250 1 21 ASP HA 1 23 ILE H 5.290 . 5.290 4.693 4.455 4.982 . 0 0 "[ . 1 . 2]" 1
251 1 21 ASP HA 1 24 ALA H 4.320 . 4.320 3.410 3.114 3.929 . 0 0 "[ . 1 . 2]" 1
252 1 21 ASP HA 1 24 ALA MB 3.510 . 3.510 2.281 1.897 2.915 . 0 0 "[ . 1 . 2]" 1
253 1 21 ASP QB 1 22 GLN QG 5.180 . 5.180 3.724 3.275 4.931 . 0 0 "[ . 1 . 2]" 1
254 1 21 ASP QB 1 24 ALA MB 4.830 . 4.830 3.932 3.391 4.653 . 0 0 "[ . 1 . 2]" 1
255 1 21 ASP HB2 1 22 GLN H 3.920 . 3.920 3.335 2.616 3.977 0.057 7 0 "[ . 1 . 2]" 1
256 1 21 ASP HB3 1 22 GLN H 3.920 . 3.920 3.432 2.587 3.971 0.051 3 0 "[ . 1 . 2]" 1
257 1 22 GLN H 1 22 GLN QB 3.370 . 3.370 2.466 2.386 2.625 . 0 0 "[ . 1 . 2]" 1
258 1 22 GLN H 1 22 GLN HE21 5.490 . 5.490 4.135 3.565 4.922 . 0 0 "[ . 1 . 2]" 1
259 1 22 GLN H 1 22 GLN HE22 5.780 . 5.780 5.417 5.035 5.827 0.047 7 0 "[ . 1 . 2]" 1
260 1 22 GLN H 1 22 GLN HG2 4.340 . 4.340 3.367 2.235 3.725 . 0 0 "[ . 1 . 2]" 1
261 1 22 GLN H 1 22 GLN QG 3.550 . 3.550 2.289 2.061 2.462 . 0 0 "[ . 1 . 2]" 1
262 1 22 GLN H 1 22 GLN HG3 4.340 . 4.340 2.508 2.089 3.683 . 0 0 "[ . 1 . 2]" 1
263 1 22 GLN H 1 23 ILE HB 5.780 . 5.780 5.360 5.128 5.548 . 0 0 "[ . 1 . 2]" 1
264 1 22 GLN H 1 23 ILE MG 5.160 . 5.160 3.813 3.617 4.169 . 0 0 "[ . 1 . 2]" 1
265 1 22 GLN H 1 24 ALA MB 4.920 . 4.920 4.512 4.289 4.940 0.020 14 0 "[ . 1 . 2]" 1
266 1 22 GLN HA 1 22 GLN HE21 5.520 . 5.520 4.562 4.222 5.131 . 0 0 "[ . 1 . 2]" 1
267 1 22 GLN HA 1 22 GLN HG2 4.120 . 4.120 2.811 2.546 3.856 . 0 0 "[ . 1 . 2]" 1
268 1 22 GLN HA 1 22 GLN QG 3.580 . 3.580 2.621 2.421 3.406 . 0 0 "[ . 1 . 2]" 1
269 1 22 GLN HA 1 22 GLN HG3 4.120 . 4.120 3.165 2.943 3.879 . 0 0 "[ . 1 . 2]" 1
270 1 22 GLN HA 1 24 ALA H 4.800 . 4.800 4.460 4.238 4.837 0.037 14 0 "[ . 1 . 2]" 1
271 1 22 GLN QB 1 22 GLN HE22 4.280 . 4.280 3.327 3.242 3.617 . 0 0 "[ . 1 . 2]" 1
272 1 22 GLN QB 1 23 ILE H 3.720 . 3.720 2.527 2.166 3.502 . 0 0 "[ . 1 . 2]" 1
273 1 22 GLN QB 1 23 ILE HA 5.400 . 5.400 4.040 3.847 4.679 . 0 0 "[ . 1 . 2]" 1
274 1 22 GLN QB 1 98 PHE QE 4.860 . 4.860 4.254 2.465 4.887 0.027 4 0 "[ . 1 . 2]" 1
275 1 22 GLN HE21 1 23 ILE H 5.780 . 5.780 4.553 3.748 5.142 . 0 0 "[ . 1 . 2]" 1
276 1 22 GLN HE21 1 98 PHE QE 5.780 . 5.780 5.323 3.622 5.867 0.087 3 0 "[ . 1 . 2]" 1
277 1 22 GLN QG 1 23 ILE H 4.880 . 4.880 3.786 2.190 4.151 . 0 0 "[ . 1 . 2]" 1
278 1 22 GLN HG2 1 23 ILE H 5.570 . 5.570 4.576 2.354 5.041 . 0 0 "[ . 1 . 2]" 1
279 1 22 GLN HG3 1 23 ILE H 5.570 . 5.570 4.059 2.540 4.430 . 0 0 "[ . 1 . 2]" 1
280 1 23 ILE H 1 23 ILE HB 3.550 . 3.550 2.698 2.562 2.830 . 0 0 "[ . 1 . 2]" 1
281 1 23 ILE H 1 23 ILE MD 5.100 . 5.100 4.500 4.463 4.532 . 0 0 "[ . 1 . 2]" 1
282 1 23 ILE H 1 23 ILE HG12 5.170 . 5.170 4.518 4.433 4.617 . 0 0 "[ . 1 . 2]" 1
283 1 23 ILE H 1 23 ILE HG13 5.170 . 5.170 4.581 4.497 4.661 . 0 0 "[ . 1 . 2]" 1
284 1 23 ILE H 1 23 ILE MG 3.430 . 3.430 1.962 1.806 2.196 . 0 0 "[ . 1 . 2]" 1
285 1 23 ILE H 1 24 ALA H 3.410 . 3.410 2.611 2.550 2.678 . 0 0 "[ . 1 . 2]" 1
286 1 23 ILE H 1 24 ALA MB 4.770 . 4.770 4.324 4.278 4.383 . 0 0 "[ . 1 . 2]" 1
287 1 23 ILE H 1 34 LEU QD 5.010 . 5.010 4.212 3.988 4.882 . 0 0 "[ . 1 . 2]" 1
288 1 23 ILE H 1 98 PHE QE 5.630 . 5.630 4.678 3.736 5.232 . 0 0 "[ . 1 . 2]" 1
289 1 23 ILE HA 1 23 ILE MD 4.230 . 4.230 3.876 3.771 3.988 . 0 0 "[ . 1 . 2]" 1
290 1 23 ILE HA 1 23 ILE HG12 4.440 . 4.440 3.144 2.999 3.235 . 0 0 "[ . 1 . 2]" 1
291 1 23 ILE HA 1 23 ILE QG 3.850 . 3.850 2.471 2.343 2.611 . 0 0 "[ . 1 . 2]" 1
292 1 23 ILE HA 1 23 ILE HG13 4.440 . 4.440 2.585 2.421 2.768 . 0 0 "[ . 1 . 2]" 1
293 1 23 ILE HA 1 26 PHE H 4.150 . 4.150 3.182 2.883 3.574 . 0 0 "[ . 1 . 2]" 1
294 1 23 ILE HA 1 26 PHE QB 4.060 . 4.060 2.672 2.260 3.359 . 0 0 "[ . 1 . 2]" 1
295 1 23 ILE HA 1 26 PHE QD 5.610 . 5.610 4.411 3.895 5.257 . 0 0 "[ . 1 . 2]" 1
296 1 23 ILE HA 1 27 TRP HD1 5.270 . 5.270 4.123 3.511 4.550 . 0 0 "[ . 1 . 2]" 1
297 1 23 ILE HA 1 98 PHE QD 4.530 . 4.530 4.032 3.153 4.604 0.074 9 0 "[ . 1 . 2]" 1
298 1 23 ILE HA 1 98 PHE QE 4.610 . 4.610 3.248 2.879 3.543 . 0 0 "[ . 1 . 2]" 1
299 1 23 ILE HB 1 23 ILE MD 3.040 . 3.040 2.503 2.422 2.585 . 0 0 "[ . 1 . 2]" 1
300 1 23 ILE HB 1 24 ALA H 4.490 . 4.490 4.212 4.016 4.324 . 0 0 "[ . 1 . 2]" 1
301 1 23 ILE HB 1 27 TRP HD1 5.640 . 5.640 4.862 4.673 5.503 . 0 0 "[ . 1 . 2]" 1
302 1 23 ILE HB 1 98 PHE QD 5.460 . 5.460 3.829 2.759 4.435 . 0 0 "[ . 1 . 2]" 1
303 1 23 ILE HB 1 98 PHE QE 5.500 . 5.500 3.243 2.567 3.675 . 0 0 "[ . 1 . 2]" 1
304 1 23 ILE MD 1 23 ILE MG 3.370 . 3.370 2.000 1.969 2.058 . 0 0 "[ . 1 . 2]" 1
305 1 23 ILE MD 1 24 ALA H 5.370 . 5.370 4.871 4.717 5.058 . 0 0 "[ . 1 . 2]" 1
306 1 23 ILE MD 1 27 TRP HD1 4.430 . 4.430 3.354 2.977 4.126 . 0 0 "[ . 1 . 2]" 1
307 1 23 ILE MD 1 27 TRP HE1 4.360 . 4.360 2.282 1.876 3.020 . 0 0 "[ . 1 . 2]" 1
308 1 23 ILE MD 1 27 TRP HZ2 5.780 . 5.780 4.250 3.740 5.114 . 0 0 "[ . 1 . 2]" 1
309 1 23 ILE MD 1 34 LEU HB2 5.780 . 5.780 5.215 4.819 5.863 0.083 18 0 "[ . 1 . 2]" 1
310 1 23 ILE MD 1 34 LEU HB3 5.780 . 5.780 5.744 5.496 5.907 0.127 11 0 "[ . 1 . 2]" 1
311 1 23 ILE MD 1 94 ILE HB 5.590 . 5.590 4.336 4.104 4.691 . 0 0 "[ . 1 . 2]" 1
312 1 23 ILE MD 1 94 ILE MG 3.610 . 3.610 2.016 1.881 2.182 . 0 0 "[ . 1 . 2]" 1
313 1 23 ILE MD 1 95 LEU HA 4.440 . 4.440 3.617 2.653 4.357 . 0 0 "[ . 1 . 2]" 1
314 1 23 ILE MD 1 95 LEU HB2 5.780 . 5.780 5.021 3.835 5.792 0.012 4 0 "[ . 1 . 2]" 1
315 1 23 ILE MD 1 97 PRO HD2 5.650 . 5.650 4.886 3.972 5.627 . 0 0 "[ . 1 . 2]" 1
316 1 23 ILE MD 1 98 PHE H 5.420 . 5.420 4.591 3.512 5.276 . 0 0 "[ . 1 . 2]" 1
317 1 23 ILE MD 1 98 PHE HB2 4.620 . 4.620 2.716 1.993 3.283 . 0 0 "[ . 1 . 2]" 1
318 1 23 ILE MD 1 98 PHE QB 4.000 . 4.000 2.501 1.980 2.858 . 0 0 "[ . 1 . 2]" 1
319 1 23 ILE MD 1 98 PHE HB3 4.620 . 4.620 3.056 2.618 3.431 . 0 0 "[ . 1 . 2]" 1
320 1 23 ILE MD 1 98 PHE QD 3.930 . 3.930 2.849 2.440 3.141 . 0 0 "[ . 1 . 2]" 1
321 1 23 ILE MD 1 98 PHE QE 4.670 . 4.670 3.621 3.107 4.188 . 0 0 "[ . 1 . 2]" 1
322 1 23 ILE QG 1 24 ALA H 5.280 . 5.280 3.938 3.762 4.203 . 0 0 "[ . 1 . 2]" 1
323 1 23 ILE QG 1 26 PHE QB 4.940 . 4.940 2.918 2.630 3.507 . 0 0 "[ . 1 . 2]" 1
324 1 23 ILE QG 1 27 TRP H 5.610 . 5.610 3.980 3.630 4.694 . 0 0 "[ . 1 . 2]" 1
325 1 23 ILE QG 1 27 TRP HD1 3.600 . 3.600 1.966 1.719 2.703 . 0 0 "[ . 1 . 2]" 1
326 1 23 ILE QG 1 27 TRP HE1 4.770 . 4.770 2.655 2.341 3.087 . 0 0 "[ . 1 . 2]" 1
327 1 23 ILE QG 1 34 LEU HG 4.760 . 4.760 3.961 2.640 4.887 0.127 13 0 "[ . 1 . 2]" 1
328 1 23 ILE QG 1 97 PRO QG 5.610 . 5.610 5.120 4.089 5.720 0.110 6 0 "[ . 1 . 2]" 1
329 1 23 ILE QG 1 98 PHE QB 4.740 . 4.740 3.080 2.496 3.561 . 0 0 "[ . 1 . 2]" 1
330 1 23 ILE QG 1 98 PHE QD 5.250 . 5.250 2.935 2.238 3.186 . 0 0 "[ . 1 . 2]" 1
331 1 23 ILE HG12 1 26 PHE H 5.610 . 5.610 4.883 4.421 5.518 . 0 0 "[ . 1 . 2]" 1
332 1 23 ILE HG13 1 26 PHE H 5.610 . 5.610 4.910 4.463 5.380 . 0 0 "[ . 1 . 2]" 1
333 1 23 ILE MG 1 24 ALA H 3.640 . 3.640 2.479 2.212 2.611 . 0 0 "[ . 1 . 2]" 1
334 1 23 ILE MG 1 24 ALA HA 4.470 . 4.470 3.701 3.397 3.989 . 0 0 "[ . 1 . 2]" 1
335 1 23 ILE MG 1 24 ALA MB 3.910 . 3.910 3.442 3.107 3.606 . 0 0 "[ . 1 . 2]" 1
336 1 23 ILE MG 1 25 LYS H 4.650 . 4.650 4.631 4.425 4.771 0.121 13 0 "[ . 1 . 2]" 1
337 1 23 ILE MG 1 26 PHE QB 5.610 . 5.610 4.641 4.437 4.985 . 0 0 "[ . 1 . 2]" 1
338 1 23 ILE MG 1 27 TRP HB2 5.730 . 5.730 5.080 4.387 5.701 . 0 0 "[ . 1 . 2]" 1
339 1 23 ILE MG 1 27 TRP HD1 4.120 . 4.120 3.776 3.415 4.041 . 0 0 "[ . 1 . 2]" 1
340 1 23 ILE MG 1 27 TRP HE1 4.900 . 4.900 4.575 4.207 5.107 0.207 5 0 "[ . 1 . 2]" 1
341 1 23 ILE MG 1 34 LEU HB2 5.350 . 5.350 4.944 4.591 5.161 . 0 0 "[ . 1 . 2]" 1
342 1 23 ILE MG 1 34 LEU HB3 5.160 . 5.160 4.729 3.975 5.055 . 0 0 "[ . 1 . 2]" 1
343 1 23 ILE MG 1 34 LEU QD 2.970 . 2.970 1.757 1.564 2.113 . 0 0 "[ . 1 . 2]" 1
344 1 23 ILE MG 1 98 PHE QB 5.610 . 5.610 4.874 4.302 5.286 . 0 0 "[ . 1 . 2]" 1
345 1 23 ILE MG 1 98 PHE QD 5.190 . 5.190 4.592 4.056 4.991 . 0 0 "[ . 1 . 2]" 1
346 1 24 ALA H 1 24 ALA MB 3.070 . 3.070 2.281 2.256 2.299 . 0 0 "[ . 1 . 2]" 1
347 1 24 ALA H 1 25 LYS QB 5.020 . 5.020 4.398 4.159 4.609 . 0 0 "[ . 1 . 2]" 1
348 1 24 ALA H 1 34 LEU QD 4.170 . 4.170 2.910 2.666 3.715 . 0 0 "[ . 1 . 2]" 1
349 1 24 ALA H 1 34 LEU HG 5.090 . 5.090 4.625 3.583 5.292 0.202 19 0 "[ . 1 . 2]" 1
350 1 24 ALA HA 1 26 PHE H 5.050 . 5.050 4.263 4.033 4.499 . 0 0 "[ . 1 . 2]" 1
351 1 24 ALA HA 1 27 TRP H 4.210 . 4.210 3.238 2.947 3.578 . 0 0 "[ . 1 . 2]" 1
352 1 24 ALA HA 1 27 TRP HB2 4.730 . 4.730 2.640 2.181 2.992 . 0 0 "[ . 1 . 2]" 1
353 1 24 ALA HA 1 27 TRP HB3 5.390 . 5.390 4.277 3.811 4.643 . 0 0 "[ . 1 . 2]" 1
354 1 24 ALA HA 1 27 TRP HD1 4.390 . 4.390 3.496 2.358 4.416 0.026 5 0 "[ . 1 . 2]" 1
355 1 24 ALA HA 1 34 LEU HB2 4.460 . 4.460 3.576 2.596 4.310 . 0 0 "[ . 1 . 2]" 1
356 1 24 ALA HA 1 34 LEU HB3 3.910 . 3.910 3.027 2.249 3.698 . 0 0 "[ . 1 . 2]" 1
357 1 24 ALA HA 1 34 LEU MD1 4.590 . 4.590 3.682 2.211 4.653 0.063 2 0 "[ . 1 . 2]" 1
358 1 24 ALA HA 1 34 LEU QD 3.760 . 3.760 2.182 1.786 3.143 . 0 0 "[ . 1 . 2]" 1
359 1 24 ALA HA 1 34 LEU MD2 4.590 . 4.590 2.778 1.787 4.114 . 0 0 "[ . 1 . 2]" 1
360 1 24 ALA MB 1 25 LYS H 3.170 . 3.170 2.698 2.517 2.926 . 0 0 "[ . 1 . 2]" 1
361 1 24 ALA MB 1 25 LYS QB 4.780 . 4.780 3.989 3.836 4.236 . 0 0 "[ . 1 . 2]" 1
362 1 24 ALA MB 1 26 PHE H 5.250 . 5.250 4.611 4.474 4.802 . 0 0 "[ . 1 . 2]" 1
363 1 24 ALA MB 1 27 TRP H 5.100 . 5.100 4.527 4.298 4.816 . 0 0 "[ . 1 . 2]" 1
364 1 24 ALA MB 1 27 TRP HB2 5.780 . 5.780 4.098 3.653 4.548 . 0 0 "[ . 1 . 2]" 1
365 1 24 ALA MB 1 34 LEU H 5.600 . 5.600 5.248 4.423 5.779 0.179 13 0 "[ . 1 . 2]" 1
366 1 24 ALA MB 1 34 LEU HB2 5.190 . 5.190 4.370 3.506 4.928 . 0 0 "[ . 1 . 2]" 1
367 1 24 ALA MB 1 34 LEU HB3 3.840 . 3.840 3.267 2.400 3.891 0.051 17 0 "[ . 1 . 2]" 1
368 1 24 ALA MB 1 34 LEU QD 3.410 . 3.410 2.253 1.914 2.855 . 0 0 "[ . 1 . 2]" 1
369 1 24 ALA MB 1 35 LYS QE 5.780 . 5.780 3.994 2.441 5.907 0.127 17 0 "[ . 1 . 2]" 1
370 1 25 LYS H 1 25 LYS QB 3.100 . 3.100 2.232 2.170 2.291 . 0 0 "[ . 1 . 2]" 1
371 1 25 LYS H 1 26 PHE H 3.420 . 3.420 2.716 2.575 2.877 . 0 0 "[ . 1 . 2]" 1
372 1 25 LYS HA 1 25 LYS QG 3.920 . 3.920 2.630 2.424 3.055 . 0 0 "[ . 1 . 2]" 1
373 1 25 LYS QB 1 26 PHE H 3.570 . 3.570 2.656 2.366 2.893 . 0 0 "[ . 1 . 2]" 1
374 1 25 LYS QB 1 26 PHE QB 5.610 . 5.610 4.051 3.858 4.280 . 0 0 "[ . 1 . 2]" 1
375 1 25 LYS QG 1 26 PHE HA 4.630 . 4.630 3.965 3.600 4.243 . 0 0 "[ . 1 . 2]" 1
376 1 26 PHE H 1 26 PHE HB2 3.590 . 3.590 2.606 2.526 2.674 . 0 0 "[ . 1 . 2]" 1
377 1 26 PHE H 1 26 PHE HB3 3.590 . 3.590 2.435 2.330 2.532 . 0 0 "[ . 1 . 2]" 1
378 1 26 PHE H 1 26 PHE QD 4.870 . 4.870 4.231 4.193 4.261 . 0 0 "[ . 1 . 2]" 1
379 1 26 PHE H 1 27 TRP HB2 5.570 . 5.570 4.831 4.652 4.981 . 0 0 "[ . 1 . 2]" 1
380 1 26 PHE H 1 98 PHE QE 5.780 . 5.780 5.357 4.236 5.972 0.192 8 0 "[ . 1 . 2]" 1
381 1 26 PHE HA 1 26 PHE QD 4.420 . 4.420 2.717 2.476 2.935 . 0 0 "[ . 1 . 2]" 1
382 1 26 PHE QB 1 27 TRP H 4.350 . 4.350 2.581 2.375 2.857 . 0 0 "[ . 1 . 2]" 1
383 1 26 PHE QB 1 27 TRP HD1 4.560 . 4.560 3.129 2.510 3.641 . 0 0 "[ . 1 . 2]" 1
384 1 26 PHE QB 1 98 PHE QD 4.260 . 4.260 3.591 2.688 4.028 . 0 0 "[ . 1 . 2]" 1
385 1 26 PHE QB 1 98 PHE QE 4.680 . 4.680 3.583 2.608 4.581 . 0 0 "[ . 1 . 2]" 1
386 1 26 PHE QD 1 27 TRP H 4.730 . 4.730 3.552 3.188 4.061 . 0 0 "[ . 1 . 2]" 1
387 1 26 PHE QD 1 27 TRP HD1 4.430 . 4.430 2.941 2.476 3.669 . 0 0 "[ . 1 . 2]" 1
388 1 26 PHE QD 1 27 TRP HE1 4.560 . 4.560 3.151 2.616 3.742 . 0 0 "[ . 1 . 2]" 1
389 1 26 PHE QD 1 27 TRP HZ2 5.570 . 5.570 4.805 4.075 5.663 0.093 10 0 "[ . 1 . 2]" 1
390 1 26 PHE QD 1 98 PHE QB 5.610 . 5.610 4.023 3.218 5.365 . 0 0 "[ . 1 . 2]" 1
391 1 26 PHE QD 1 98 PHE QD 4.710 . 4.710 3.714 3.086 4.825 0.115 17 0 "[ . 1 . 2]" 1
392 1 27 TRP H 1 27 TRP HB2 3.510 . 3.510 2.375 2.219 2.468 . 0 0 "[ . 1 . 2]" 1
393 1 27 TRP H 1 27 TRP HB3 3.890 . 3.890 3.615 3.515 3.688 . 0 0 "[ . 1 . 2]" 1
394 1 27 TRP H 1 27 TRP HD1 3.700 . 3.700 2.828 2.348 3.554 . 0 0 "[ . 1 . 2]" 1
395 1 27 TRP H 1 28 GLU H 3.490 . 3.490 2.729 2.434 3.846 0.356 5 0 "[ . 1 . 2]" 1
396 1 27 TRP H 1 28 GLU QB 5.060 . 5.060 4.520 4.012 4.810 . 0 0 "[ . 1 . 2]" 1
397 1 27 TRP H 1 34 LEU HB3 5.780 . 5.780 5.352 4.729 5.913 0.133 12 0 "[ . 1 . 2]" 1
398 1 27 TRP HA 1 27 TRP HD1 4.760 . 4.760 4.037 3.658 4.457 . 0 0 "[ . 1 . 2]" 1
399 1 27 TRP HA 1 27 TRP HZ3 5.780 . 5.780 5.249 4.775 5.814 0.034 8 0 "[ . 1 . 2]" 1
400 1 27 TRP HA 1 28 GLU HA 5.780 . 5.780 4.912 4.739 5.377 . 0 0 "[ . 1 . 2]" 1
401 1 27 TRP HA 1 29 LEU H 5.760 . 5.760 3.843 3.387 4.506 . 0 0 "[ . 1 . 2]" 1
402 1 27 TRP HA 1 30 GLN H 4.460 . 4.460 2.794 2.430 3.272 . 0 0 "[ . 1 . 2]" 1
403 1 27 TRP HA 1 30 GLN HB2 4.110 . 4.110 2.314 1.874 2.825 . 0 0 "[ . 1 . 2]" 1
404 1 27 TRP HA 1 30 GLN HB3 5.710 . 5.710 3.892 3.538 4.309 . 0 0 "[ . 1 . 2]" 1
405 1 27 TRP HA 1 30 GLN QE 5.230 . 5.230 4.467 3.877 5.275 0.045 12 0 "[ . 1 . 2]" 1
406 1 27 TRP HA 1 30 GLN QG 4.190 . 4.190 2.387 1.948 3.073 . 0 0 "[ . 1 . 2]" 1
407 1 27 TRP HB2 1 27 TRP HD1 3.840 . 3.840 2.700 2.552 2.829 . 0 0 "[ . 1 . 2]" 1
408 1 27 TRP HB2 1 28 GLU H 4.270 . 4.270 3.200 2.175 3.681 . 0 0 "[ . 1 . 2]" 1
409 1 27 TRP HB2 1 29 LEU H 5.780 . 5.780 5.367 5.069 5.792 0.012 1 0 "[ . 1 . 2]" 1
410 1 27 TRP HB2 1 34 LEU H 4.810 . 4.810 4.587 3.966 4.874 0.064 10 0 "[ . 1 . 2]" 1
411 1 27 TRP HB2 1 34 LEU HB2 4.690 . 4.690 2.683 1.847 3.856 . 0 0 "[ . 1 . 2]" 1
412 1 27 TRP HB2 1 34 LEU HB3 5.170 . 5.170 3.361 2.922 3.823 . 0 0 "[ . 1 . 2]" 1
413 1 27 TRP HB2 1 34 LEU QD 4.890 . 4.890 2.960 2.046 3.538 . 0 0 "[ . 1 . 2]" 1
414 1 27 TRP HB3 1 28 GLU H 4.590 . 4.590 3.753 1.694 4.282 . 0 0 "[ . 1 . 2]" 1
415 1 27 TRP HB3 1 29 LEU H 5.390 . 5.390 5.265 3.957 5.566 0.176 1 0 "[ . 1 . 2]" 1
416 1 27 TRP HB3 1 33 SER HA 5.780 . 5.780 5.185 4.419 5.908 0.128 1 0 "[ . 1 . 2]" 1
417 1 27 TRP HB3 1 34 LEU H 4.920 . 4.920 4.078 3.165 4.570 . 0 0 "[ . 1 . 2]" 1
418 1 27 TRP HB3 1 34 LEU HB3 5.370 . 5.370 3.999 3.414 4.497 . 0 0 "[ . 1 . 2]" 1
419 1 27 TRP HB3 1 34 LEU QD 5.330 . 5.330 3.709 3.061 4.218 . 0 0 "[ . 1 . 2]" 1
420 1 27 TRP HD1 1 34 LEU HB2 5.020 . 5.020 3.740 3.269 4.346 . 0 0 "[ . 1 . 2]" 1
421 1 27 TRP HD1 1 34 LEU HB3 4.980 . 4.980 4.622 3.770 5.119 0.139 18 0 "[ . 1 . 2]" 1
422 1 27 TRP HD1 1 34 LEU MD1 4.270 . 4.270 3.631 2.769 4.402 0.132 2 0 "[ . 1 . 2]" 1
423 1 27 TRP HD1 1 34 LEU QD 3.030 . 3.030 2.377 1.688 3.107 0.077 18 0 "[ . 1 . 2]" 1
424 1 27 TRP HD1 1 34 LEU MD2 4.270 . 4.270 2.423 1.703 3.234 . 0 0 "[ . 1 . 2]" 1
425 1 27 TRP HD1 1 34 LEU HG 5.060 . 5.060 3.944 2.208 5.215 0.155 4 0 "[ . 1 . 2]" 1
426 1 27 TRP HD1 1 94 ILE MG 4.960 . 4.960 4.095 2.640 4.860 . 0 0 "[ . 1 . 2]" 1
427 1 27 TRP HE1 1 34 LEU QD 3.870 . 3.870 2.894 2.537 3.927 0.057 5 0 "[ . 1 . 2]" 1
428 1 27 TRP HE1 1 34 LEU HG 5.640 . 5.640 5.125 4.080 5.854 0.214 6 0 "[ . 1 . 2]" 1
429 1 27 TRP HE1 1 94 ILE HA 3.990 . 3.990 3.321 2.830 3.997 0.007 4 0 "[ . 1 . 2]" 1
430 1 27 TRP HE1 1 94 ILE HB 5.780 . 5.780 5.317 4.625 5.864 0.084 14 0 "[ . 1 . 2]" 1
431 1 27 TRP HE1 1 94 ILE HG12 5.450 . 5.450 4.093 3.447 4.744 . 0 0 "[ . 1 . 2]" 1
432 1 27 TRP HE1 1 94 ILE MG 3.480 . 3.480 2.716 1.769 3.638 0.158 8 0 "[ . 1 . 2]" 1
433 1 27 TRP HH2 1 94 ILE HA 4.700 . 4.700 3.751 2.742 4.499 . 0 0 "[ . 1 . 2]" 1
434 1 27 TRP HH2 1 94 ILE HG12 5.780 . 5.780 4.795 3.318 5.903 0.123 2 0 "[ . 1 . 2]" 1
435 1 27 TRP HH2 1 97 PRO HD2 5.780 . 5.780 4.859 4.047 5.772 . 0 0 "[ . 1 . 2]" 1
436 1 27 TRP HZ2 1 93 ARG QB 5.780 . 5.780 4.745 3.395 5.724 . 0 0 "[ . 1 . 2]" 1
437 1 27 TRP HZ2 1 94 ILE HA 3.440 . 3.440 2.024 1.637 2.572 . 0 0 "[ . 1 . 2]" 1
438 1 27 TRP HZ2 1 94 ILE HB 5.780 . 5.780 4.965 4.429 5.593 . 0 0 "[ . 1 . 2]" 1
439 1 27 TRP HZ2 1 94 ILE MD 5.600 . 5.600 5.048 4.496 5.601 0.001 12 0 "[ . 1 . 2]" 1
440 1 27 TRP HZ2 1 94 ILE HG13 4.850 . 4.850 4.207 3.367 4.905 0.055 16 0 "[ . 1 . 2]" 1
441 1 27 TRP HZ2 1 94 ILE MG 4.440 . 4.440 3.688 2.942 4.432 . 0 0 "[ . 1 . 2]" 1
442 1 27 TRP HZ2 1 97 PRO HD2 4.230 . 4.230 3.357 2.782 4.100 . 0 0 "[ . 1 . 2]" 1
443 1 27 TRP HZ2 1 97 PRO HD3 5.780 . 5.780 3.949 3.195 4.525 . 0 0 "[ . 1 . 2]" 1
444 1 27 TRP HZ3 1 30 GLN HB2 4.590 . 4.590 4.050 3.304 4.612 0.022 17 0 "[ . 1 . 2]" 1
445 1 27 TRP HZ3 1 30 GLN HB3 4.790 . 4.790 3.963 3.175 4.724 . 0 0 "[ . 1 . 2]" 1
446 1 27 TRP HZ3 1 30 GLN QG 5.440 . 5.440 4.598 3.405 5.559 0.119 10 0 "[ . 1 . 2]" 1
447 1 27 TRP HZ3 1 97 PRO QG 5.780 . 5.780 4.712 4.177 5.733 . 0 0 "[ . 1 . 2]" 1
448 1 28 GLU H 1 28 GLU QB 3.330 . 3.330 2.436 2.199 2.981 . 0 0 "[ . 1 . 2]" 1
449 1 28 GLU H 1 28 GLU QG 4.110 . 4.110 3.313 2.279 4.258 0.148 16 0 "[ . 1 . 2]" 1
450 1 28 GLU H 1 29 LEU H 3.700 . 3.700 2.828 2.408 3.887 0.187 5 0 "[ . 1 . 2]" 1
451 1 28 GLU H 1 29 LEU HA 5.780 . 5.780 5.354 5.133 5.783 0.003 5 0 "[ . 1 . 2]" 1
452 1 28 GLU H 1 30 GLN H 4.770 . 4.770 4.035 3.785 4.508 . 0 0 "[ . 1 . 2]" 1
453 1 28 GLU HA 1 29 LEU HA 5.780 . 5.780 4.783 4.652 4.901 . 0 0 "[ . 1 . 2]" 1
454 1 28 GLU HA 1 30 GLN H 5.170 . 5.170 4.469 3.884 5.107 . 0 0 "[ . 1 . 2]" 1
455 1 28 GLU QB 1 29 LEU H 4.240 . 4.240 2.678 2.094 3.157 . 0 0 "[ . 1 . 2]" 1
456 1 28 GLU QB 1 29 LEU HA 5.010 . 5.010 4.296 3.997 4.692 . 0 0 "[ . 1 . 2]" 1
457 1 28 GLU QB 1 30 GLN H 5.780 . 5.780 4.653 4.009 4.992 . 0 0 "[ . 1 . 2]" 1
458 1 28 GLU QG 1 29 LEU H 5.190 . 5.190 3.954 3.082 4.390 . 0 0 "[ . 1 . 2]" 1
459 1 29 LEU H 1 29 LEU HB2 3.840 . 3.840 2.515 2.238 3.169 . 0 0 "[ . 1 . 2]" 1
460 1 29 LEU H 1 29 LEU QB 3.120 . 3.120 2.339 2.154 2.832 . 0 0 "[ . 1 . 2]" 1
461 1 29 LEU H 1 29 LEU HB3 3.840 . 3.840 2.982 2.465 3.642 . 0 0 "[ . 1 . 2]" 1
462 1 29 LEU H 1 29 LEU MD1 5.480 . 5.480 4.021 1.952 4.883 . 0 0 "[ . 1 . 2]" 1
463 1 29 LEU H 1 29 LEU QD 4.320 . 4.320 3.516 1.948 4.140 . 0 0 "[ . 1 . 2]" 1
464 1 29 LEU H 1 29 LEU MD2 5.480 . 5.480 4.078 2.486 4.473 . 0 0 "[ . 1 . 2]" 1
465 1 29 LEU H 1 30 GLN H 3.380 . 3.380 2.422 1.979 2.584 . 0 0 "[ . 1 . 2]" 1
466 1 29 LEU H 1 30 GLN HB2 5.010 . 5.010 4.737 4.236 5.048 0.038 19 0 "[ . 1 . 2]" 1
467 1 29 LEU H 1 30 GLN QG 4.650 . 4.650 3.802 2.943 4.307 . 0 0 "[ . 1 . 2]" 1
468 1 29 LEU HA 1 29 LEU MD1 3.820 . 3.820 3.515 2.004 3.922 0.102 19 0 "[ . 1 . 2]" 1
469 1 29 LEU HA 1 29 LEU QD 3.200 . 3.200 2.676 1.968 3.163 . 0 0 "[ . 1 . 2]" 1
470 1 29 LEU HA 1 29 LEU MD2 3.820 . 3.820 3.029 2.051 3.931 0.111 12 0 "[ . 1 . 2]" 1
471 1 29 LEU QB 1 29 LEU QD 2.860 . 2.860 1.986 1.940 2.092 . 0 0 "[ . 1 . 2]" 1
472 1 29 LEU QB 1 30 GLN H 3.790 . 3.790 2.912 2.449 3.919 0.129 16 0 "[ . 1 . 2]" 1
473 1 29 LEU QB 1 30 GLN QE 3.870 . 3.870 2.809 1.903 3.949 0.079 9 0 "[ . 1 . 2]" 1
474 1 29 LEU QB 1 31 GLY H 5.610 . 5.610 4.933 4.295 5.430 . 0 0 "[ . 1 . 2]" 1
475 1 29 LEU HB2 1 30 GLN H 4.660 . 4.660 3.685 2.713 4.549 . 0 0 "[ . 1 . 2]" 1
476 1 29 LEU HB3 1 30 GLN H 4.660 . 4.660 3.278 2.480 4.277 . 0 0 "[ . 1 . 2]" 1
477 1 29 LEU QD 1 30 GLN H 4.830 . 4.830 3.858 3.350 4.363 . 0 0 "[ . 1 . 2]" 1
478 1 29 LEU QD 1 30 GLN QE 4.250 . 4.250 2.877 1.762 4.292 0.042 16 0 "[ . 1 . 2]" 1
479 1 29 LEU MD1 1 30 GLN H 5.750 . 5.750 4.891 3.852 5.763 0.013 16 0 "[ . 1 . 2]" 1
480 1 29 LEU MD1 1 30 GLN HE21 5.780 . 5.780 4.371 3.302 5.585 . 0 0 "[ . 1 . 2]" 1
481 1 29 LEU MD1 1 30 GLN HE22 5.780 . 5.780 4.874 3.601 5.929 0.149 10 0 "[ . 1 . 2]" 1
482 1 29 LEU MD2 1 30 GLN H 5.750 . 5.750 4.158 3.402 5.213 . 0 0 "[ . 1 . 2]" 1
483 1 29 LEU MD2 1 30 GLN HE21 5.780 . 5.780 3.467 1.819 5.496 . 0 0 "[ . 1 . 2]" 1
484 1 29 LEU MD2 1 30 GLN HE22 5.780 . 5.780 3.839 2.339 5.874 0.094 1 0 "[ . 1 . 2]" 1
485 1 30 GLN H 1 30 GLN HB2 3.640 . 3.640 2.592 2.464 2.741 . 0 0 "[ . 1 . 2]" 1
486 1 30 GLN H 1 30 GLN HB3 3.870 . 3.870 3.658 3.613 3.768 . 0 0 "[ . 1 . 2]" 1
487 1 30 GLN H 1 30 GLN QE 4.590 . 4.590 3.206 2.488 4.067 . 0 0 "[ . 1 . 2]" 1
488 1 30 GLN H 1 30 GLN HG2 4.160 . 4.160 2.330 2.094 2.890 . 0 0 "[ . 1 . 2]" 1
489 1 30 GLN H 1 30 GLN QG 3.430 . 3.430 2.308 2.080 2.838 . 0 0 "[ . 1 . 2]" 1
490 1 30 GLN H 1 30 GLN HG3 4.160 . 4.160 3.769 3.587 4.144 . 0 0 "[ . 1 . 2]" 1
491 1 30 GLN H 1 31 GLY H 3.570 . 3.570 2.748 2.295 3.559 . 0 0 "[ . 1 . 2]" 1
492 1 30 GLN H 1 31 GLY QA 5.200 . 5.200 4.570 4.226 4.928 . 0 0 "[ . 1 . 2]" 1
493 1 30 GLN HA 1 30 GLN QE 5.070 . 5.070 2.903 2.201 3.977 . 0 0 "[ . 1 . 2]" 1
494 1 30 GLN HB2 1 31 GLY H 5.130 . 5.130 2.926 2.013 4.461 . 0 0 "[ . 1 . 2]" 1
495 1 30 GLN HB3 1 31 GLY H 5.230 . 5.230 3.852 3.051 4.519 . 0 0 "[ . 1 . 2]" 1
496 1 32 SER H 1 32 SER HA 3.070 . 3.070 2.526 2.243 2.895 . 0 0 "[ . 1 . 2]" 1
497 1 32 SER H 1 32 SER HB2 4.220 . 4.220 3.080 2.501 3.712 . 0 0 "[ . 1 . 2]" 1
498 1 32 SER H 1 32 SER QB 3.700 . 3.700 2.843 2.268 3.464 . 0 0 "[ . 1 . 2]" 1
499 1 32 SER H 1 32 SER HB3 4.220 . 4.220 3.458 2.487 4.146 . 0 0 "[ . 1 . 2]" 1
500 1 32 SER QB 1 33 SER H 4.030 . 4.030 3.336 2.391 3.966 . 0 0 "[ . 1 . 2]" 1
501 1 32 SER HB2 1 33 SER H 4.600 . 4.600 3.937 3.601 4.554 . 0 0 "[ . 1 . 2]" 1
502 1 32 SER HB3 1 33 SER H 4.600 . 4.600 3.678 2.426 4.530 . 0 0 "[ . 1 . 2]" 1
503 1 33 SER H 1 33 SER QB 3.540 . 3.540 2.538 2.311 2.991 . 0 0 "[ . 1 . 2]" 1
504 1 33 SER H 1 34 LEU H 4.660 . 4.660 3.944 2.277 4.628 . 0 0 "[ . 1 . 2]" 1
505 1 33 SER HA 1 34 LEU H 3.130 . 3.130 2.392 2.120 3.366 0.236 15 0 "[ . 1 . 2]" 1
506 1 33 SER QB 1 34 LEU H 4.090 . 4.090 3.674 2.985 4.095 0.005 20 0 "[ . 1 . 2]" 1
507 1 33 SER QB 1 34 LEU HA 5.460 . 5.460 4.544 4.208 4.942 . 0 0 "[ . 1 . 2]" 1
508 1 33 SER HB2 1 34 LEU H 4.790 . 4.790 4.213 3.302 4.674 . 0 0 "[ . 1 . 2]" 1
509 1 33 SER HB3 1 34 LEU H 4.790 . 4.790 4.166 3.069 4.611 . 0 0 "[ . 1 . 2]" 1
510 1 34 LEU H 1 34 LEU HB2 3.460 . 3.460 2.775 2.361 3.187 . 0 0 "[ . 1 . 2]" 1
511 1 34 LEU H 1 34 LEU HB3 3.520 . 3.520 2.779 2.509 3.650 0.130 15 0 "[ . 1 . 2]" 1
512 1 34 LEU H 1 34 LEU MD1 4.580 . 4.580 4.331 3.923 4.763 0.183 15 0 "[ . 1 . 2]" 1
513 1 34 LEU H 1 34 LEU MD2 4.580 . 4.580 4.353 3.858 4.708 0.128 20 0 "[ . 1 . 2]" 1
514 1 34 LEU H 1 35 LYS H 5.240 . 5.240 4.500 4.264 4.646 . 0 0 "[ . 1 . 2]" 1
515 1 34 LEU HA 1 34 LEU QD 3.430 . 3.430 2.054 1.846 2.182 . 0 0 "[ . 1 . 2]" 1
516 1 34 LEU HA 1 34 LEU HG 4.320 . 4.320 3.313 2.657 3.802 . 0 0 "[ . 1 . 2]" 1
517 1 34 LEU HA 1 35 LYS H 3.140 . 3.140 2.550 2.296 2.923 . 0 0 "[ . 1 . 2]" 1
518 1 34 LEU HA 1 35 LYS HB2 5.780 . 5.780 5.053 4.776 5.337 . 0 0 "[ . 1 . 2]" 1
519 1 34 LEU HA 1 35 LYS QB 4.970 . 4.970 4.500 4.360 4.620 . 0 0 "[ . 1 . 2]" 1
520 1 34 LEU HA 1 35 LYS HB3 5.780 . 5.780 5.056 4.891 5.158 . 0 0 "[ . 1 . 2]" 1
521 1 34 LEU HA 1 36 ILE HG12 4.570 . 4.570 3.743 3.025 4.225 . 0 0 "[ . 1 . 2]" 1
522 1 34 LEU HA 1 94 ILE MD 3.980 . 3.980 3.277 2.183 3.822 . 0 0 "[ . 1 . 2]" 1
523 1 34 LEU HA 1 94 ILE MG 5.150 . 5.150 4.511 3.864 4.996 . 0 0 "[ . 1 . 2]" 1
524 1 34 LEU HB2 1 34 LEU QD 3.270 . 3.270 2.301 2.170 2.532 . 0 0 "[ . 1 . 2]" 1
525 1 34 LEU HB3 1 34 LEU QD 3.170 . 3.170 2.288 2.240 2.382 . 0 0 "[ . 1 . 2]" 1
526 1 34 LEU HB3 1 35 LYS H 3.960 . 3.960 3.284 2.068 3.813 . 0 0 "[ . 1 . 2]" 1
527 1 34 LEU HB3 1 35 LYS QB 4.180 . 4.180 3.730 3.427 4.221 0.041 2 0 "[ . 1 . 2]" 1
528 1 34 LEU QD 1 35 LYS H 3.630 . 3.630 2.078 1.588 2.728 . 0 0 "[ . 1 . 2]" 1
529 1 34 LEU QD 1 35 LYS QB 5.000 . 5.000 3.257 1.840 4.281 . 0 0 "[ . 1 . 2]" 1
530 1 34 LEU QD 1 94 ILE HG12 4.760 . 4.760 2.350 1.701 3.003 . 0 0 "[ . 1 . 2]" 1
531 1 34 LEU QD 1 94 ILE HG13 4.290 . 4.290 3.690 3.188 4.195 . 0 0 "[ . 1 . 2]" 1
532 1 34 LEU QD 1 94 ILE MG 3.070 . 3.070 1.948 1.632 2.145 . 0 0 "[ . 1 . 2]" 1
533 1 34 LEU MD1 1 35 LYS HA 5.780 . 5.780 3.572 2.431 5.045 . 0 0 "[ . 1 . 2]" 1
534 1 34 LEU MD2 1 35 LYS HA 5.780 . 5.780 4.362 3.600 5.245 . 0 0 "[ . 1 . 2]" 1
535 1 34 LEU HG 1 35 LYS H 4.050 . 4.050 2.621 1.471 4.109 0.059 9 0 "[ . 1 . 2]" 1
536 1 35 LYS H 1 35 LYS HB2 4.270 . 4.270 3.192 3.042 3.311 . 0 0 "[ . 1 . 2]" 1
537 1 35 LYS H 1 35 LYS QB 3.740 . 3.740 3.015 2.910 3.111 . 0 0 "[ . 1 . 2]" 1
538 1 35 LYS H 1 35 LYS HB3 4.270 . 4.270 3.712 3.634 3.778 . 0 0 "[ . 1 . 2]" 1
539 1 35 LYS H 1 35 LYS QG 4.980 . 4.980 4.226 4.101 4.349 . 0 0 "[ . 1 . 2]" 1
540 1 35 LYS H 1 36 ILE H 5.370 . 5.370 2.565 2.366 2.807 . 0 0 "[ . 1 . 2]" 1
541 1 35 LYS HA 1 35 LYS QD 4.450 . 4.450 4.186 3.766 4.380 . 0 0 "[ . 1 . 2]" 1
542 1 35 LYS HA 1 35 LYS QG 4.010 . 4.010 2.477 2.396 2.593 . 0 0 "[ . 1 . 2]" 1
543 1 35 LYS HA 1 36 ILE H 3.030 . 3.030 2.775 2.478 3.003 . 0 0 "[ . 1 . 2]" 1
544 1 35 LYS HA 1 36 ILE HB 5.780 . 5.780 5.510 5.236 5.726 . 0 0 "[ . 1 . 2]" 1
545 1 35 LYS HA 1 36 ILE HG12 5.060 . 5.060 4.761 4.492 4.899 . 0 0 "[ . 1 . 2]" 1
546 1 35 LYS HA 1 37 PRO QG 5.070 . 5.070 3.910 3.221 4.869 . 0 0 "[ . 1 . 2]" 1
547 1 35 LYS HA 1 46 LEU MD2 5.780 . 5.780 4.946 4.326 5.633 . 0 0 "[ . 1 . 2]" 1
548 1 35 LYS QB 1 37 PRO QD 5.000 . 5.000 4.303 4.044 4.524 . 0 0 "[ . 1 . 2]" 1
549 1 35 LYS QD 1 44 LEU HB2 5.310 . 5.310 4.199 2.697 5.323 0.013 18 0 "[ . 1 . 2]" 1
550 1 35 LYS QD 1 44 LEU QD 4.420 . 4.420 3.414 2.235 4.426 0.006 10 0 "[ . 1 . 2]" 1
551 1 35 LYS QE 1 44 LEU QD 5.030 . 5.030 4.197 2.124 5.135 0.105 2 0 "[ . 1 . 2]" 1
552 1 35 LYS QG 1 36 ILE H 5.310 . 5.310 4.422 4.188 4.646 . 0 0 "[ . 1 . 2]" 1
553 1 35 LYS QG 1 37 PRO HD2 5.170 . 5.170 4.273 3.517 5.129 . 0 0 "[ . 1 . 2]" 1
554 1 35 LYS QG 1 37 PRO QD 4.420 . 4.420 3.261 2.728 3.745 . 0 0 "[ . 1 . 2]" 1
555 1 35 LYS QG 1 37 PRO HD3 5.170 . 5.170 3.406 2.781 3.849 . 0 0 "[ . 1 . 2]" 1
556 1 35 LYS QG 1 37 PRO QG 4.160 . 4.160 3.905 3.032 4.247 0.087 18 0 "[ . 1 . 2]" 1
557 1 35 LYS QG 1 44 LEU HB2 4.710 . 4.710 3.477 2.725 4.562 . 0 0 "[ . 1 . 2]" 1
558 1 35 LYS QG 1 44 LEU HB3 4.980 . 4.980 3.244 2.525 3.851 . 0 0 "[ . 1 . 2]" 1
559 1 35 LYS QG 1 44 LEU QD 3.950 . 3.950 2.697 1.987 3.799 . 0 0 "[ . 1 . 2]" 1
560 1 35 LYS QG 1 46 LEU H 5.450 . 5.450 4.831 4.153 5.464 0.014 8 0 "[ . 1 . 2]" 1
561 1 35 LYS QG 1 46 LEU QB 5.610 . 5.610 4.152 3.415 4.762 . 0 0 "[ . 1 . 2]" 1
562 1 36 ILE H 1 36 ILE HB 3.310 . 3.310 2.786 2.715 2.869 . 0 0 "[ . 1 . 2]" 1
563 1 36 ILE H 1 36 ILE MD 4.140 . 4.140 3.628 3.479 3.735 . 0 0 "[ . 1 . 2]" 1
564 1 36 ILE H 1 36 ILE HG12 3.650 . 3.650 2.728 2.478 2.857 . 0 0 "[ . 1 . 2]" 1
565 1 36 ILE H 1 36 ILE HG13 4.490 . 4.490 4.127 3.921 4.221 . 0 0 "[ . 1 . 2]" 1
566 1 36 ILE H 1 36 ILE MG 4.300 . 4.300 3.963 3.935 4.001 . 0 0 "[ . 1 . 2]" 1
567 1 36 ILE H 1 37 PRO HA 5.780 . 5.780 4.912 4.748 5.016 . 0 0 "[ . 1 . 2]" 1
568 1 36 ILE H 1 37 PRO QG 5.370 . 5.370 4.527 3.993 5.189 . 0 0 "[ . 1 . 2]" 1
569 1 36 ILE H 1 44 LEU QD 5.710 . 5.710 4.493 4.092 4.784 . 0 0 "[ . 1 . 2]" 1
570 1 36 ILE H 1 46 LEU MD2 5.780 . 5.780 5.019 4.403 5.745 . 0 0 "[ . 1 . 2]" 1
571 1 36 ILE H 1 94 ILE MD 5.760 . 5.760 3.545 2.683 5.120 . 0 0 "[ . 1 . 2]" 1
572 1 36 ILE HA 1 36 ILE MD 3.560 . 3.560 2.276 2.181 2.386 . 0 0 "[ . 1 . 2]" 1
573 1 36 ILE HA 1 36 ILE HG13 4.170 . 4.170 3.881 3.831 3.943 . 0 0 "[ . 1 . 2]" 1
574 1 36 ILE HA 1 36 ILE MG 3.360 . 3.360 2.406 2.367 2.443 . 0 0 "[ . 1 . 2]" 1
575 1 36 ILE HA 1 37 PRO QD 3.420 . 3.420 2.311 2.123 2.548 . 0 0 "[ . 1 . 2]" 1
576 1 36 ILE HA 1 44 LEU HB3 4.900 . 4.900 4.100 3.473 4.833 . 0 0 "[ . 1 . 2]" 1
577 1 36 ILE HA 1 44 LEU MD1 5.280 . 5.280 3.282 2.190 4.753 . 0 0 "[ . 1 . 2]" 1
578 1 36 ILE HA 1 44 LEU QD 4.330 . 4.330 2.529 1.825 3.058 . 0 0 "[ . 1 . 2]" 1
579 1 36 ILE HA 1 44 LEU MD2 5.280 . 5.280 3.004 1.844 4.899 . 0 0 "[ . 1 . 2]" 1
580 1 36 ILE HB 1 36 ILE MD 3.500 . 3.500 3.287 3.273 3.295 . 0 0 "[ . 1 . 2]" 1
581 1 36 ILE HB 1 37 PRO QD 5.620 . 5.620 4.502 4.466 4.535 . 0 0 "[ . 1 . 2]" 1
582 1 36 ILE MD 1 36 ILE MG 2.680 . 2.680 2.079 2.032 2.114 . 0 0 "[ . 1 . 2]" 1
583 1 36 ILE MD 1 37 PRO QD 4.680 . 4.680 3.759 3.577 3.941 . 0 0 "[ . 1 . 2]" 1
584 1 36 ILE MD 1 44 LEU HB3 5.780 . 5.780 4.909 4.229 5.743 . 0 0 "[ . 1 . 2]" 1
585 1 36 ILE HG12 1 37 PRO QD 5.230 . 5.230 4.712 4.651 4.791 . 0 0 "[ . 1 . 2]" 1
586 1 36 ILE HG12 1 94 ILE MD 4.920 . 4.920 4.580 3.328 5.139 0.219 2 0 "[ . 1 . 2]" 1
587 1 36 ILE HG13 1 36 ILE MG 3.650 . 3.650 2.426 2.404 2.446 . 0 0 "[ . 1 . 2]" 1
588 1 36 ILE HG13 1 94 ILE MD 5.390 . 5.390 5.060 3.541 5.517 0.127 1 0 "[ . 1 . 2]" 1
589 1 37 PRO HA 1 38 MET HB2 5.780 . 5.780 5.584 4.843 5.944 0.164 18 0 "[ . 1 . 2]" 1
590 1 37 PRO HA 1 44 LEU HB3 5.780 . 5.780 5.844 5.403 6.067 0.287 5 0 "[ . 1 . 2]" 1
591 1 37 PRO HA 1 46 LEU QB 5.610 . 5.610 4.618 4.301 5.078 . 0 0 "[ . 1 . 2]" 1
592 1 37 PRO HB2 1 38 MET H 4.150 . 4.150 2.499 2.079 3.331 . 0 0 "[ . 1 . 2]" 1
593 1 37 PRO HB2 1 38 MET HA 4.510 . 4.510 4.056 3.821 4.316 . 0 0 "[ . 1 . 2]" 1
594 1 37 PRO HB2 1 38 MET ME 4.300 . 4.300 3.162 1.825 3.779 . 0 0 "[ . 1 . 2]" 1
595 1 37 PRO HB2 1 44 LEU HA 4.700 . 4.700 3.844 3.411 4.449 . 0 0 "[ . 1 . 2]" 1
596 1 37 PRO HB2 1 44 LEU HB3 5.450 . 5.450 4.669 4.072 5.176 . 0 0 "[ . 1 . 2]" 1
597 1 37 PRO HB2 1 45 ASP H 4.490 . 4.490 3.250 2.915 3.642 . 0 0 "[ . 1 . 2]" 1
598 1 37 PRO HB2 1 46 LEU H 5.420 . 5.420 4.185 3.873 4.525 . 0 0 "[ . 1 . 2]" 1
599 1 37 PRO HB2 1 46 LEU HA 4.120 . 4.120 3.225 2.966 3.606 . 0 0 "[ . 1 . 2]" 1
600 1 37 PRO HB2 1 46 LEU MD2 3.890 . 3.890 3.442 3.160 3.852 . 0 0 "[ . 1 . 2]" 1
601 1 37 PRO HB2 1 49 LEU HB2 3.990 . 3.990 3.654 3.015 4.088 0.098 14 0 "[ . 1 . 2]" 1
602 1 37 PRO HB3 1 38 MET H 4.180 . 4.180 3.746 3.383 4.134 . 0 0 "[ . 1 . 2]" 1
603 1 37 PRO HB3 1 38 MET HA 5.780 . 5.780 5.454 5.139 5.642 . 0 0 "[ . 1 . 2]" 1
604 1 37 PRO HB3 1 38 MET ME 4.860 . 4.860 4.293 3.104 4.905 0.045 19 0 "[ . 1 . 2]" 1
605 1 37 PRO HB3 1 44 LEU HA 5.600 . 5.600 5.052 4.751 5.334 . 0 0 "[ . 1 . 2]" 1
606 1 37 PRO HB3 1 45 ASP H 4.500 . 4.500 4.474 4.080 4.677 0.177 16 0 "[ . 1 . 2]" 1
607 1 37 PRO HB3 1 45 ASP HA 5.780 . 5.780 5.696 5.437 5.875 0.095 17 0 "[ . 1 . 2]" 1
608 1 37 PRO HB3 1 46 LEU HA 4.460 . 4.460 2.435 1.977 2.834 . 0 0 "[ . 1 . 2]" 1
609 1 37 PRO HB3 1 46 LEU QB 4.210 . 4.210 2.845 2.215 3.686 . 0 0 "[ . 1 . 2]" 1
610 1 37 PRO HB3 1 46 LEU MD2 4.090 . 4.090 1.957 1.691 2.466 . 0 0 "[ . 1 . 2]" 1
611 1 37 PRO HB3 1 49 LEU HB3 4.810 . 4.810 3.601 2.855 4.216 . 0 0 "[ . 1 . 2]" 1
612 1 37 PRO QD 1 44 LEU HB2 5.230 . 5.230 3.616 3.296 3.947 . 0 0 "[ . 1 . 2]" 1
613 1 37 PRO QD 1 44 LEU HB3 4.360 . 4.360 2.102 1.720 2.478 . 0 0 "[ . 1 . 2]" 1
614 1 37 PRO QD 1 44 LEU QD 4.030 . 4.030 1.948 1.706 2.319 . 0 0 "[ . 1 . 2]" 1
615 1 37 PRO QD 1 46 LEU QB 4.350 . 4.350 3.506 2.583 4.025 . 0 0 "[ . 1 . 2]" 1
616 1 37 PRO QD 1 46 LEU MD2 4.320 . 4.320 4.041 3.273 4.362 0.042 6 0 "[ . 1 . 2]" 1
617 1 37 PRO HD2 1 44 LEU HB3 5.210 . 5.210 2.257 1.743 2.792 . 0 0 "[ . 1 . 2]" 1
618 1 37 PRO HD2 1 44 LEU MD1 6.430 . 6.430 3.153 1.889 4.067 . 0 0 "[ . 1 . 2]" 1
619 1 37 PRO HD2 1 44 LEU MD2 6.430 . 6.430 2.381 1.737 4.389 . 0 0 "[ . 1 . 2]" 1
620 1 37 PRO HD3 1 44 LEU HB3 5.210 . 5.210 2.699 2.240 3.309 . 0 0 "[ . 1 . 2]" 1
621 1 37 PRO HD3 1 44 LEU MD1 6.430 . 6.430 3.532 2.721 4.818 . 0 0 "[ . 1 . 2]" 1
622 1 37 PRO HD3 1 44 LEU MD2 6.430 . 6.430 3.392 2.239 5.461 . 0 0 "[ . 1 . 2]" 1
623 1 37 PRO QG 1 38 MET H 4.870 . 4.870 2.903 1.932 4.187 . 0 0 "[ . 1 . 2]" 1
624 1 37 PRO QG 1 44 LEU H 5.080 . 5.080 4.889 4.597 5.160 0.080 8 0 "[ . 1 . 2]" 1
625 1 37 PRO QG 1 44 LEU HA 4.350 . 4.350 2.499 1.995 3.159 . 0 0 "[ . 1 . 2]" 1
626 1 37 PRO QG 1 44 LEU HB2 3.790 . 3.790 3.775 3.454 3.956 0.166 9 0 "[ . 1 . 2]" 1
627 1 37 PRO QG 1 44 LEU HB3 4.090 . 4.090 2.525 2.144 2.912 . 0 0 "[ . 1 . 2]" 1
628 1 37 PRO QG 1 44 LEU QD 3.960 . 3.960 3.222 2.288 3.723 . 0 0 "[ . 1 . 2]" 1
629 1 37 PRO QG 1 45 ASP H 3.570 . 3.570 2.514 2.099 3.255 . 0 0 "[ . 1 . 2]" 1
630 1 37 PRO QG 1 45 ASP HA 5.720 . 5.720 3.774 3.477 4.093 . 0 0 "[ . 1 . 2]" 1
631 1 37 PRO QG 1 45 ASP HB2 5.780 . 5.780 4.739 4.317 5.038 . 0 0 "[ . 1 . 2]" 1
632 1 37 PRO QG 1 46 LEU H 3.960 . 3.960 2.525 2.189 2.978 . 0 0 "[ . 1 . 2]" 1
633 1 37 PRO QG 1 46 LEU QB 3.320 . 3.320 1.966 1.715 2.381 . 0 0 "[ . 1 . 2]" 1
634 1 38 MET H 1 38 MET HB2 3.690 . 3.690 2.520 2.201 3.534 . 0 0 "[ . 1 . 2]" 1
635 1 38 MET H 1 38 MET HB3 4.330 . 4.330 3.580 3.011 4.098 . 0 0 "[ . 1 . 2]" 1
636 1 38 MET H 1 38 MET QG 4.580 . 4.580 3.332 2.185 4.115 . 0 0 "[ . 1 . 2]" 1
637 1 38 MET H 1 39 VAL H 4.910 . 4.910 4.106 3.008 4.657 . 0 0 "[ . 1 . 2]" 1
638 1 38 MET HA 1 39 VAL HA 5.130 . 5.130 4.521 4.424 4.725 . 0 0 "[ . 1 . 2]" 1
639 1 38 MET HA 1 39 VAL MG1 4.320 . 4.320 3.615 3.274 3.804 . 0 0 "[ . 1 . 2]" 1
640 1 38 MET HA 1 39 VAL MG2 5.780 . 5.780 5.559 5.382 5.738 . 0 0 "[ . 1 . 2]" 1
641 1 38 MET HA 1 44 LEU HA 5.430 . 5.430 5.120 4.894 5.399 . 0 0 "[ . 1 . 2]" 1
642 1 38 MET HA 1 87 LEU MD1 5.780 . 5.780 4.760 4.105 5.251 . 0 0 "[ . 1 . 2]" 1
643 1 38 MET HB2 1 39 VAL H 5.170 . 5.170 4.354 3.485 4.677 . 0 0 "[ . 1 . 2]" 1
644 1 38 MET HB2 1 44 LEU H 5.290 . 5.290 4.656 4.119 5.322 0.032 16 0 "[ . 1 . 2]" 1
645 1 38 MET HB2 1 44 LEU HA 5.040 . 5.040 2.639 2.096 2.999 . 0 0 "[ . 1 . 2]" 1
646 1 38 MET HB2 1 44 LEU HB2 5.780 . 5.780 5.436 4.931 5.979 0.199 16 0 "[ . 1 . 2]" 1
647 1 38 MET HB2 1 44 LEU HB3 5.220 . 5.220 4.634 4.111 5.312 0.092 5 0 "[ . 1 . 2]" 1
648 1 38 MET HB2 1 44 LEU QD 3.600 . 3.600 2.710 1.938 3.857 0.257 5 0 "[ . 1 . 2]" 1
649 1 38 MET HB2 1 45 ASP H 5.030 . 5.030 3.492 2.604 4.500 . 0 0 "[ . 1 . 2]" 1
650 1 38 MET HB3 1 39 VAL H 4.190 . 4.190 3.690 2.043 4.367 0.177 11 0 "[ . 1 . 2]" 1
651 1 38 MET HB3 1 40 GLU HB2 5.780 . 5.780 5.608 4.342 5.960 0.180 1 0 "[ . 1 . 2]" 1
652 1 38 MET HB3 1 41 ARG H 5.290 . 5.290 3.310 2.581 3.939 . 0 0 "[ . 1 . 2]" 1
653 1 38 MET HB3 1 41 ARG HA 5.780 . 5.780 4.885 3.422 5.670 . 0 0 "[ . 1 . 2]" 1
654 1 38 MET HB3 1 41 ARG QB 5.610 . 5.610 3.463 1.617 5.857 0.247 6 0 "[ . 1 . 2]" 1
655 1 38 MET HB3 1 42 LYS H 5.040 . 5.040 3.107 2.325 4.482 . 0 0 "[ . 1 . 2]" 1
656 1 38 MET HB3 1 44 LEU H 5.720 . 5.720 5.726 5.057 6.087 0.367 14 0 "[ . 1 . 2]" 1
657 1 38 MET HB3 1 44 LEU QD 5.710 . 5.710 3.700 3.189 4.727 . 0 0 "[ . 1 . 2]" 1
658 1 38 MET ME 1 44 LEU HA 4.660 . 4.660 4.131 3.402 4.810 0.150 10 0 "[ . 1 . 2]" 1
659 1 38 MET ME 1 45 ASP H 3.930 . 3.930 2.701 2.022 3.281 . 0 0 "[ . 1 . 2]" 1
660 1 38 MET ME 1 45 ASP HB2 3.590 . 3.590 2.293 1.840 3.598 0.008 2 0 "[ . 1 . 2]" 1
661 1 38 MET ME 1 45 ASP HB3 4.210 . 4.210 3.214 2.355 3.558 . 0 0 "[ . 1 . 2]" 1
662 1 38 MET ME 1 46 LEU MD2 5.180 . 5.180 4.811 4.117 5.261 0.081 20 0 "[ . 1 . 2]" 1
663 1 38 MET ME 1 48 THR MG 3.400 . 3.400 2.569 2.192 3.062 . 0 0 "[ . 1 . 2]" 1
664 1 38 MET ME 1 49 LEU H 4.790 . 4.790 3.392 2.911 3.794 . 0 0 "[ . 1 . 2]" 1
665 1 38 MET ME 1 49 LEU HA 4.490 . 4.490 3.811 3.191 4.501 0.011 8 0 "[ . 1 . 2]" 1
666 1 38 MET ME 1 49 LEU HB2 3.450 . 3.450 2.272 1.707 3.069 . 0 0 "[ . 1 . 2]" 1
667 1 38 MET ME 1 52 ILE MD 4.630 . 4.630 3.861 3.290 4.448 . 0 0 "[ . 1 . 2]" 1
668 1 38 MET ME 1 77 TYR QD 5.780 . 5.780 5.568 5.042 5.799 0.019 9 0 "[ . 1 . 2]" 1
669 1 38 MET ME 1 77 TYR QE 3.950 . 3.950 3.834 3.215 4.109 0.159 13 0 "[ . 1 . 2]" 1
670 1 39 VAL H 1 39 VAL HB 4.090 . 4.090 2.861 2.489 3.639 . 0 0 "[ . 1 . 2]" 1
671 1 39 VAL H 1 39 VAL MG1 4.770 . 4.770 2.065 1.770 2.800 . 0 0 "[ . 1 . 2]" 1
672 1 39 VAL H 1 39 VAL MG2 4.350 . 4.350 3.875 3.774 4.122 . 0 0 "[ . 1 . 2]" 1
673 1 39 VAL H 1 40 GLU H 5.100 . 5.100 2.410 2.007 2.736 . 0 0 "[ . 1 . 2]" 1
674 1 39 VAL H 1 40 GLU HB2 5.780 . 5.780 4.527 3.977 4.925 . 0 0 "[ . 1 . 2]" 1
675 1 39 VAL H 1 42 LYS H 4.920 . 4.920 4.891 4.202 5.275 0.355 3 0 "[ . 1 . 2]" 1
676 1 39 VAL HA 1 39 VAL MG1 3.560 . 3.560 3.276 3.247 3.288 . 0 0 "[ . 1 . 2]" 1
677 1 39 VAL HA 1 39 VAL MG2 3.550 . 3.550 2.446 2.380 2.555 . 0 0 "[ . 1 . 2]" 1
678 1 39 VAL HA 1 41 ARG H 5.620 . 5.620 4.638 3.438 5.730 0.110 6 0 "[ . 1 . 2]" 1
679 1 39 VAL HB 1 86 THR MG 5.180 . 5.180 3.173 2.586 3.975 . 0 0 "[ . 1 . 2]" 1
680 1 39 VAL MG1 1 40 GLU H 4.210 . 4.210 2.229 1.990 2.553 . 0 0 "[ . 1 . 2]" 1
681 1 39 VAL MG1 1 40 GLU HA 4.470 . 4.470 3.586 3.031 3.991 . 0 0 "[ . 1 . 2]" 1
682 1 39 VAL MG1 1 40 GLU HB2 5.050 . 5.050 3.303 2.685 3.617 . 0 0 "[ . 1 . 2]" 1
683 1 39 VAL MG1 1 40 GLU HB3 5.200 . 5.200 4.298 3.652 4.762 . 0 0 "[ . 1 . 2]" 1
684 1 39 VAL MG1 1 40 GLU QG 4.170 . 4.170 2.637 1.631 4.446 0.276 2 0 "[ . 1 . 2]" 1
685 1 39 VAL MG1 1 77 TYR QD 4.940 . 4.940 3.655 3.022 4.621 . 0 0 "[ . 1 . 2]" 1
686 1 39 VAL MG1 1 77 TYR QE 3.410 . 3.410 2.265 1.797 2.971 . 0 0 "[ . 1 . 2]" 1
687 1 39 VAL MG1 1 86 THR H 5.780 . 5.780 5.216 4.207 5.766 . 0 0 "[ . 1 . 2]" 1
688 1 39 VAL MG1 1 86 THR HB 4.560 . 4.560 3.048 2.251 3.602 . 0 0 "[ . 1 . 2]" 1
689 1 39 VAL MG1 1 86 THR MG 3.310 . 3.310 2.168 1.876 3.045 . 0 0 "[ . 1 . 2]" 1
690 1 39 VAL MG1 1 87 LEU H 4.800 . 4.800 4.383 3.417 4.838 0.038 17 0 "[ . 1 . 2]" 1
691 1 39 VAL MG1 1 87 LEU MD1 4.280 . 4.280 4.082 3.533 4.386 0.106 15 0 "[ . 1 . 2]" 1
692 1 39 VAL MG1 1 87 LEU HG 4.250 . 4.250 3.672 2.703 4.102 . 0 0 "[ . 1 . 2]" 1
693 1 39 VAL MG2 1 40 GLU H 5.150 . 5.150 3.666 3.255 4.039 . 0 0 "[ . 1 . 2]" 1
694 1 39 VAL MG2 1 86 THR MG 3.120 . 3.120 2.500 1.825 3.144 0.024 16 0 "[ . 1 . 2]" 1
695 1 40 GLU H 1 40 GLU QG 4.800 . 4.800 3.032 2.280 4.018 . 0 0 "[ . 1 . 2]" 1
696 1 40 GLU H 1 41 ARG H 4.370 . 4.370 2.611 2.156 3.211 . 0 0 "[ . 1 . 2]" 1
697 1 40 GLU H 1 42 LYS H 5.520 . 5.520 4.129 3.665 5.536 0.016 14 0 "[ . 1 . 2]" 1
698 1 40 GLU HA 1 77 TYR QE 5.780 . 5.780 4.940 4.393 5.429 . 0 0 "[ . 1 . 2]" 1
699 1 40 GLU HB2 1 41 ARG H 4.680 . 4.680 3.315 2.330 4.440 . 0 0 "[ . 1 . 2]" 1
700 1 40 GLU HB2 1 72 ALA MB 5.780 . 5.780 5.808 5.455 5.968 0.188 7 0 "[ . 1 . 2]" 1
701 1 40 GLU HB2 1 77 TYR QD 3.960 . 3.960 2.908 2.144 3.558 . 0 0 "[ . 1 . 2]" 1
702 1 40 GLU HB2 1 77 TYR QE 4.880 . 4.880 2.953 2.352 3.534 . 0 0 "[ . 1 . 2]" 1
703 1 40 GLU HB2 1 78 PRO HD2 5.080 . 5.080 3.707 2.885 4.610 . 0 0 "[ . 1 . 2]" 1
704 1 40 GLU HB2 1 83 VAL MG1 5.740 . 5.740 3.954 2.520 5.654 . 0 0 "[ . 1 . 2]" 1
705 1 40 GLU HB3 1 41 ARG H 4.410 . 4.410 3.581 2.046 4.439 0.029 14 0 "[ . 1 . 2]" 1
706 1 40 GLU HB3 1 77 TYR QD 4.510 . 4.510 3.818 2.617 4.424 . 0 0 "[ . 1 . 2]" 1
707 1 40 GLU HB3 1 77 TYR QE 4.670 . 4.670 4.150 2.667 4.822 0.152 5 0 "[ . 1 . 2]" 1
708 1 40 GLU HB3 1 83 VAL MG1 5.720 . 5.720 4.533 3.641 5.954 0.234 13 0 "[ . 1 . 2]" 1
709 1 40 GLU QG 1 41 ARG H 5.160 . 5.160 4.312 2.991 4.977 . 0 0 "[ . 1 . 2]" 1
710 1 40 GLU QG 1 77 TYR QD 4.530 . 4.530 2.690 2.210 3.583 . 0 0 "[ . 1 . 2]" 1
711 1 40 GLU QG 1 83 VAL MG2 4.630 . 4.630 3.680 2.123 4.513 . 0 0 "[ . 1 . 2]" 1
712 1 40 GLU HG2 1 78 PRO HD2 5.240 . 5.240 3.632 2.112 4.481 . 0 0 "[ . 1 . 2]" 1
713 1 40 GLU HG2 1 83 VAL MG1 5.710 . 5.710 3.350 2.007 5.466 . 0 0 "[ . 1 . 2]" 1
714 1 40 GLU HG3 1 78 PRO HD2 5.240 . 5.240 2.558 1.873 4.372 . 0 0 "[ . 1 . 2]" 1
715 1 40 GLU HG3 1 83 VAL MG1 5.710 . 5.710 3.122 1.854 6.050 0.340 18 0 "[ . 1 . 2]" 1
716 1 41 ARG H 1 42 LYS H 3.650 . 3.650 2.463 1.687 3.802 0.152 8 0 "[ . 1 . 2]" 1
717 1 41 ARG H 1 42 LYS QD 5.780 . 5.780 4.156 2.819 5.484 . 0 0 "[ . 1 . 2]" 1
718 1 41 ARG HA 1 42 LYS QG 5.780 . 5.780 5.048 4.099 5.943 0.163 12 0 "[ . 1 . 2]" 1
719 1 41 ARG QB 1 42 LYS QD 4.070 . 4.070 4.017 2.984 4.335 0.265 15 0 "[ . 1 . 2]" 1
720 1 41 ARG QB 1 42 LYS QG 5.610 . 5.610 5.055 3.108 5.820 0.210 15 0 "[ . 1 . 2]" 1
721 1 42 LYS H 1 42 LYS HB2 4.240 . 4.240 3.353 2.435 4.252 0.012 14 0 "[ . 1 . 2]" 1
722 1 42 LYS H 1 42 LYS QB 3.700 . 3.700 3.107 2.326 3.531 . 0 0 "[ . 1 . 2]" 1
723 1 42 LYS H 1 42 LYS HB3 4.240 . 4.240 3.924 2.356 4.209 . 0 0 "[ . 1 . 2]" 1
724 1 42 LYS H 1 42 LYS QG 4.350 . 4.350 3.327 2.343 3.949 . 0 0 "[ . 1 . 2]" 1
725 1 42 LYS H 1 43 ALA H 5.250 . 5.250 3.699 2.152 4.660 . 0 0 "[ . 1 . 2]" 1
726 1 42 LYS HA 1 42 LYS QG 4.000 . 4.000 2.707 2.425 3.540 . 0 0 "[ . 1 . 2]" 1
727 1 42 LYS HA 1 43 ALA H 3.360 . 3.360 3.078 2.191 3.584 0.224 11 0 "[ . 1 . 2]" 1
728 1 42 LYS QB 1 43 ALA H 3.990 . 3.990 2.849 1.974 3.961 . 0 0 "[ . 1 . 2]" 1
729 1 42 LYS QB 1 43 ALA MB 4.500 . 4.500 3.976 3.518 4.325 . 0 0 "[ . 1 . 2]" 1
730 1 42 LYS HB2 1 43 ALA H 4.680 . 4.680 3.279 2.128 4.557 . 0 0 "[ . 1 . 2]" 1
731 1 42 LYS HB3 1 43 ALA H 4.680 . 4.680 3.472 1.990 4.495 . 0 0 "[ . 1 . 2]" 1
732 1 42 LYS QD 1 43 ALA H 5.780 . 5.780 4.262 1.941 5.867 0.087 3 0 "[ . 1 . 2]" 1
733 1 42 LYS QG 1 43 ALA H 4.770 . 4.770 4.304 2.544 4.892 0.122 9 0 "[ . 1 . 2]" 1
734 1 43 ALA H 1 43 ALA MB 3.070 . 3.070 2.473 2.248 3.039 . 0 0 "[ . 1 . 2]" 1
735 1 43 ALA H 1 44 LEU H 5.400 . 5.400 4.456 3.573 4.728 . 0 0 "[ . 1 . 2]" 1
736 1 43 ALA HA 1 44 LEU H 3.240 . 3.240 2.296 2.101 2.984 . 0 0 "[ . 1 . 2]" 1
737 1 43 ALA HA 1 44 LEU HB2 5.700 . 5.700 4.753 4.421 5.078 . 0 0 "[ . 1 . 2]" 1
738 1 43 ALA HA 1 44 LEU HB3 5.780 . 5.780 5.632 5.407 5.970 0.190 9 0 "[ . 1 . 2]" 1
739 1 43 ALA MB 1 44 LEU H 3.640 . 3.640 2.824 1.920 3.324 . 0 0 "[ . 1 . 2]" 1
740 1 43 ALA MB 1 44 LEU HA 5.110 . 5.110 4.381 3.942 4.572 . 0 0 "[ . 1 . 2]" 1
741 1 43 ALA MB 1 44 LEU HB2 4.990 . 4.990 5.018 4.443 5.376 0.386 15 0 "[ . 1 . 2]" 1
742 1 43 ALA MB 1 44 LEU HB3 5.780 . 5.780 5.770 5.314 5.998 0.218 15 0 "[ . 1 . 2]" 1
743 1 43 ALA MB 1 44 LEU MD1 5.420 . 5.420 5.205 3.800 5.644 0.224 18 0 "[ . 1 . 2]" 1
744 1 43 ALA MB 1 44 LEU QD 4.280 . 4.280 4.217 3.632 4.537 0.257 18 0 "[ . 1 . 2]" 1
745 1 43 ALA MB 1 44 LEU MD2 5.420 . 5.420 4.538 3.803 5.716 0.296 2 0 "[ . 1 . 2]" 1
746 1 44 LEU H 1 44 LEU HB2 3.500 . 3.500 2.679 2.509 3.075 . 0 0 "[ . 1 . 2]" 1
747 1 44 LEU H 1 44 LEU HB3 4.120 . 4.120 3.704 3.555 4.003 . 0 0 "[ . 1 . 2]" 1
748 1 44 LEU H 1 44 LEU QD 4.590 . 4.590 2.916 1.799 3.703 . 0 0 "[ . 1 . 2]" 1
749 1 44 LEU H 1 45 ASP H 5.780 . 5.780 4.135 3.471 4.451 . 0 0 "[ . 1 . 2]" 1
750 1 44 LEU HA 1 44 LEU QD 3.970 . 3.970 2.298 2.143 2.902 . 0 0 "[ . 1 . 2]" 1
751 1 44 LEU HA 1 45 ASP H 3.200 . 3.200 2.191 2.142 2.278 . 0 0 "[ . 1 . 2]" 1
752 1 44 LEU HA 1 45 ASP HA 5.720 . 5.720 4.483 4.441 4.534 . 0 0 "[ . 1 . 2]" 1
753 1 44 LEU HA 1 45 ASP HB3 5.780 . 5.780 5.704 4.913 5.912 0.132 3 0 "[ . 1 . 2]" 1
754 1 44 LEU HB2 1 45 ASP H 4.170 . 4.170 4.328 4.232 4.433 0.263 14 0 "[ . 1 . 2]" 1
755 1 44 LEU HB2 1 46 LEU H 5.250 . 5.250 5.036 4.653 5.383 0.133 2 0 "[ . 1 . 2]" 1
756 1 44 LEU HB2 1 46 LEU QB 5.610 . 5.610 5.655 5.167 5.985 0.375 2 0 "[ . 1 . 2]" 1
757 1 44 LEU HB3 1 45 ASP H 4.830 . 4.830 3.821 3.418 4.056 . 0 0 "[ . 1 . 2]" 1
758 1 44 LEU HB3 1 45 ASP HA 5.780 . 5.780 4.888 4.366 5.042 . 0 0 "[ . 1 . 2]" 1
759 1 44 LEU HB3 1 46 LEU H 5.740 . 5.740 4.432 3.726 4.957 . 0 0 "[ . 1 . 2]" 1
760 1 44 LEU HB3 1 46 LEU QB 5.610 . 5.610 4.671 4.033 5.148 . 0 0 "[ . 1 . 2]" 1
761 1 44 LEU QD 1 45 ASP H 5.300 . 5.300 4.029 3.817 4.417 . 0 0 "[ . 1 . 2]" 1
762 1 44 LEU QD 1 46 LEU QB 5.540 . 5.540 5.144 4.363 5.541 0.001 18 0 "[ . 1 . 2]" 1
763 1 45 ASP H 1 45 ASP HB2 3.730 . 3.730 2.730 2.506 3.227 . 0 0 "[ . 1 . 2]" 1
764 1 45 ASP H 1 45 ASP HB3 4.210 . 4.210 3.671 2.933 3.864 . 0 0 "[ . 1 . 2]" 1
765 1 45 ASP H 1 46 LEU H 5.260 . 5.260 3.543 3.155 3.838 . 0 0 "[ . 1 . 2]" 1
766 1 45 ASP HA 1 46 LEU H 3.330 . 3.330 2.371 2.184 2.598 . 0 0 "[ . 1 . 2]" 1
767 1 45 ASP HA 1 47 TYR QD 5.780 . 5.780 5.755 5.275 5.946 0.166 7 0 "[ . 1 . 2]" 1
768 1 45 ASP HA 1 48 THR MG 4.430 . 4.430 4.000 3.497 4.297 . 0 0 "[ . 1 . 2]" 1
769 1 45 ASP HB2 1 46 LEU H 5.100 . 5.100 4.544 4.455 4.680 . 0 0 "[ . 1 . 2]" 1
770 1 45 ASP HB2 1 47 TYR H 5.780 . 5.780 5.251 4.898 5.703 . 0 0 "[ . 1 . 2]" 1
771 1 45 ASP HB2 1 48 THR MG 4.360 . 4.360 2.700 2.285 3.500 . 0 0 "[ . 1 . 2]" 1
772 1 45 ASP HB2 1 49 LEU H 5.780 . 5.780 4.609 4.050 5.762 . 0 0 "[ . 1 . 2]" 1
773 1 45 ASP HB3 1 46 LEU H 5.300 . 5.300 4.285 4.068 4.470 . 0 0 "[ . 1 . 2]" 1
774 1 45 ASP HB3 1 48 THR HA 5.780 . 5.780 5.532 5.146 5.845 0.065 11 0 "[ . 1 . 2]" 1
775 1 45 ASP HB3 1 49 LEU H 4.870 . 4.870 4.125 3.800 4.434 . 0 0 "[ . 1 . 2]" 1
776 1 46 LEU H 1 46 LEU QB 3.150 . 3.150 2.233 2.185 2.282 . 0 0 "[ . 1 . 2]" 1
777 1 46 LEU H 1 46 LEU MD2 4.250 . 4.250 4.086 4.004 4.140 . 0 0 "[ . 1 . 2]" 1
778 1 46 LEU H 1 47 TYR H 3.900 . 3.900 2.600 2.526 2.695 . 0 0 "[ . 1 . 2]" 1
779 1 46 LEU H 1 47 TYR QB 5.610 . 5.610 4.258 4.117 4.419 . 0 0 "[ . 1 . 2]" 1
780 1 46 LEU H 1 48 THR MG 5.220 . 5.220 4.875 4.737 5.004 . 0 0 "[ . 1 . 2]" 1
781 1 46 LEU HA 1 46 LEU MD1 4.540 . 4.540 3.270 3.053 3.377 . 0 0 "[ . 1 . 2]" 1
782 1 46 LEU HA 1 46 LEU MD2 3.490 . 3.490 2.091 2.049 2.146 . 0 0 "[ . 1 . 2]" 1
783 1 46 LEU HA 1 48 THR MG 4.960 . 4.960 4.674 4.427 4.979 0.019 14 0 "[ . 1 . 2]" 1
784 1 46 LEU HA 1 49 LEU HB2 4.400 . 4.400 3.224 2.435 3.839 . 0 0 "[ . 1 . 2]" 1
785 1 46 LEU HA 1 49 LEU HB3 4.030 . 4.030 2.559 2.077 3.163 . 0 0 "[ . 1 . 2]" 1
786 1 46 LEU HA 1 50 HIS H 5.050 . 5.050 3.743 3.382 4.201 . 0 0 "[ . 1 . 2]" 1
787 1 46 LEU QB 1 46 LEU MD1 3.160 . 3.160 2.298 2.261 2.348 . 0 0 "[ . 1 . 2]" 1
788 1 46 LEU QB 1 47 TYR H 3.980 . 3.980 2.840 2.689 3.044 . 0 0 "[ . 1 . 2]" 1
789 1 46 LEU MD1 1 47 TYR H 5.780 . 5.780 3.814 3.642 4.153 . 0 0 "[ . 1 . 2]" 1
790 1 46 LEU MD1 1 47 TYR HA 5.720 . 5.720 3.525 3.208 3.923 . 0 0 "[ . 1 . 2]" 1
791 1 46 LEU MD1 1 50 HIS H 4.400 . 4.400 3.542 3.052 3.899 . 0 0 "[ . 1 . 2]" 1
792 1 46 LEU MD1 1 91 TYR QD 5.650 . 5.650 5.100 4.154 5.719 0.069 14 0 "[ . 1 . 2]" 1
793 1 46 LEU MD1 1 91 TYR QE 4.750 . 4.750 3.810 2.908 4.554 . 0 0 "[ . 1 . 2]" 1
794 1 46 LEU MD2 1 91 TYR QD 4.670 . 4.670 4.207 3.738 4.520 . 0 0 "[ . 1 . 2]" 1
795 1 47 TYR H 1 47 TYR HB2 3.900 . 3.900 2.546 2.431 2.655 . 0 0 "[ . 1 . 2]" 1
796 1 47 TYR H 1 47 TYR QB 3.200 . 3.200 2.218 2.142 2.270 . 0 0 "[ . 1 . 2]" 1
797 1 47 TYR H 1 47 TYR HB3 3.900 . 3.900 2.453 2.267 2.540 . 0 0 "[ . 1 . 2]" 1
798 1 47 TYR H 1 47 TYR QD 4.550 . 4.550 4.207 4.149 4.249 . 0 0 "[ . 1 . 2]" 1
799 1 47 TYR H 1 48 THR H 3.540 . 3.540 3.080 2.998 3.243 . 0 0 "[ . 1 . 2]" 1
800 1 47 TYR HA 1 47 TYR QD 3.550 . 3.550 2.693 2.460 2.906 . 0 0 "[ . 1 . 2]" 1
801 1 47 TYR HA 1 47 TYR QE 5.210 . 5.210 4.697 4.608 4.842 . 0 0 "[ . 1 . 2]" 1
802 1 47 TYR HA 1 50 HIS H 4.660 . 4.660 4.169 3.896 4.556 . 0 0 "[ . 1 . 2]" 1
803 1 47 TYR QB 1 48 THR H 3.550 . 3.550 2.325 2.182 2.490 . 0 0 "[ . 1 . 2]" 1
804 1 47 TYR QB 1 48 THR HA 5.300 . 5.300 4.349 4.266 4.558 . 0 0 "[ . 1 . 2]" 1
805 1 47 TYR HB2 1 48 THR H 4.320 . 4.320 3.800 3.688 3.921 . 0 0 "[ . 1 . 2]" 1
806 1 47 TYR HB3 1 48 THR H 4.320 . 4.320 2.346 2.198 2.518 . 0 0 "[ . 1 . 2]" 1
807 1 47 TYR QD 1 48 THR H 4.070 . 4.070 3.018 2.604 3.438 . 0 0 "[ . 1 . 2]" 1
808 1 47 TYR QD 1 48 THR HA 4.980 . 4.980 3.702 3.395 4.198 . 0 0 "[ . 1 . 2]" 1
809 1 47 TYR QD 1 48 THR HB 3.970 . 3.970 3.184 2.635 3.749 . 0 0 "[ . 1 . 2]" 1
810 1 47 TYR QD 1 48 THR MG 5.280 . 5.280 4.041 3.408 4.420 . 0 0 "[ . 1 . 2]" 1
811 1 47 TYR QD 1 51 ARG QD 5.610 . 5.610 4.267 3.212 5.316 . 0 0 "[ . 1 . 2]" 1
812 1 47 TYR QE 1 48 THR H 5.320 . 5.320 5.049 4.735 5.330 0.010 16 0 "[ . 1 . 2]" 1
813 1 47 TYR QE 1 48 THR HB 4.890 . 4.890 4.461 3.688 4.896 0.006 15 0 "[ . 1 . 2]" 1
814 1 47 TYR QE 1 51 ARG QD 4.390 . 4.390 3.709 2.408 4.432 0.042 7 0 "[ . 1 . 2]" 1
815 1 48 THR H 1 48 THR MG 4.320 . 4.320 2.147 2.024 2.280 . 0 0 "[ . 1 . 2]" 1
816 1 48 THR H 1 49 LEU H 3.420 . 3.420 2.623 2.534 2.751 . 0 0 "[ . 1 . 2]" 1
817 1 48 THR HA 1 48 THR MG 3.420 . 3.420 3.266 3.257 3.279 . 0 0 "[ . 1 . 2]" 1
818 1 48 THR HA 1 51 ARG QD 5.470 . 5.470 3.001 1.934 4.128 . 0 0 "[ . 1 . 2]" 1
819 1 48 THR HA 1 51 ARG QG 5.030 . 5.030 3.620 2.695 4.696 . 0 0 "[ . 1 . 2]" 1
820 1 48 THR HB 1 49 LEU H 4.820 . 4.820 4.095 4.018 4.160 . 0 0 "[ . 1 . 2]" 1
821 1 48 THR HB 1 51 ARG HB2 5.180 . 5.180 5.035 4.737 5.359 0.179 12 0 "[ . 1 . 2]" 1
822 1 48 THR MG 1 49 LEU H 4.120 . 4.120 2.325 2.165 2.424 . 0 0 "[ . 1 . 2]" 1
823 1 48 THR MG 1 49 LEU HA 3.440 . 3.440 3.319 3.160 3.452 0.012 17 0 "[ . 1 . 2]" 1
824 1 48 THR MG 1 49 LEU HB2 3.970 . 3.970 3.236 3.017 3.459 . 0 0 "[ . 1 . 2]" 1
825 1 48 THR MG 1 50 HIS H 5.100 . 5.100 4.540 4.400 4.802 . 0 0 "[ . 1 . 2]" 1
826 1 48 THR MG 1 52 ILE H 5.320 . 5.320 5.041 4.766 5.174 . 0 0 "[ . 1 . 2]" 1
827 1 48 THR MG 1 52 ILE MD 3.180 . 3.180 3.149 2.665 3.292 0.112 5 0 "[ . 1 . 2]" 1
828 1 48 THR MG 1 52 ILE HG12 5.540 . 5.540 5.237 4.789 5.427 . 0 0 "[ . 1 . 2]" 1
829 1 48 THR MG 1 52 ILE HG13 4.490 . 4.490 4.182 3.775 4.361 . 0 0 "[ . 1 . 2]" 1
830 1 49 LEU H 1 49 LEU HB2 3.970 . 3.970 2.363 2.200 2.560 . 0 0 "[ . 1 . 2]" 1
831 1 49 LEU H 1 49 LEU HB3 3.770 . 3.770 2.740 2.472 2.951 . 0 0 "[ . 1 . 2]" 1
832 1 49 LEU H 1 52 ILE MD 5.170 . 5.170 4.170 3.810 4.508 . 0 0 "[ . 1 . 2]" 1
833 1 49 LEU H 1 52 ILE HG13 5.510 . 5.510 4.864 4.739 5.177 . 0 0 "[ . 1 . 2]" 1
834 1 49 LEU HA 1 52 ILE H 4.780 . 4.780 3.443 3.123 3.792 . 0 0 "[ . 1 . 2]" 1
835 1 49 LEU HA 1 52 ILE HB 5.240 . 5.240 2.792 2.216 3.290 . 0 0 "[ . 1 . 2]" 1
836 1 49 LEU HA 1 52 ILE MD 4.680 . 4.680 2.171 1.903 2.695 . 0 0 "[ . 1 . 2]" 1
837 1 49 LEU HA 1 52 ILE MG 5.530 . 5.530 4.060 3.587 4.533 . 0 0 "[ . 1 . 2]" 1
838 1 49 LEU HA 1 53 VAL MG2 5.450 . 5.450 4.054 3.848 4.239 . 0 0 "[ . 1 . 2]" 1
839 1 49 LEU HB2 1 50 HIS H 4.330 . 4.330 3.746 3.425 3.992 . 0 0 "[ . 1 . 2]" 1
840 1 49 LEU HB3 1 50 HIS H 3.860 . 3.860 2.649 2.456 2.896 . 0 0 "[ . 1 . 2]" 1
841 1 49 LEU HB3 1 52 ILE MD 5.490 . 5.490 4.829 4.529 5.405 . 0 0 "[ . 1 . 2]" 1
842 1 50 HIS H 1 50 HIS HB2 3.590 . 3.590 2.601 2.431 3.640 0.050 11 0 "[ . 1 . 2]" 1
843 1 50 HIS H 1 50 HIS HB3 3.510 . 3.510 2.525 2.426 2.608 . 0 0 "[ . 1 . 2]" 1
844 1 50 HIS H 1 51 ARG H 3.810 . 3.810 2.668 2.505 2.759 . 0 0 "[ . 1 . 2]" 1
845 1 50 HIS H 1 51 ARG HB2 5.180 . 5.180 4.796 4.404 5.211 0.031 7 0 "[ . 1 . 2]" 1
846 1 50 HIS H 1 52 ILE H 5.290 . 5.290 4.237 3.965 4.497 . 0 0 "[ . 1 . 2]" 1
847 1 50 HIS HA 1 53 VAL H 5.340 . 5.340 3.663 3.298 3.977 . 0 0 "[ . 1 . 2]" 1
848 1 50 HIS HA 1 53 VAL HB 4.840 . 4.840 3.046 2.535 3.506 . 0 0 "[ . 1 . 2]" 1
849 1 50 HIS HA 1 53 VAL MG1 5.380 . 5.380 4.358 3.946 4.846 . 0 0 "[ . 1 . 2]" 1
850 1 50 HIS HA 1 53 VAL MG2 5.600 . 5.600 3.087 2.707 3.645 . 0 0 "[ . 1 . 2]" 1
851 1 50 HIS HA 1 54 GLN H 5.110 . 5.110 4.248 4.008 4.500 . 0 0 "[ . 1 . 2]" 1
852 1 50 HIS HB2 1 51 ARG H 4.940 . 4.940 3.985 3.867 4.160 . 0 0 "[ . 1 . 2]" 1
853 1 50 HIS HB2 1 91 TYR QD 5.780 . 5.780 5.609 4.834 5.904 0.124 8 0 "[ . 1 . 2]" 1
854 1 50 HIS HB3 1 51 ARG H 3.750 . 3.750 2.824 2.604 3.914 0.164 11 0 "[ . 1 . 2]" 1
855 1 50 HIS HB3 1 91 TYR QE 5.270 . 5.270 4.748 2.771 5.217 . 0 0 "[ . 1 . 2]" 1
856 1 51 ARG H 1 51 ARG HB2 3.460 . 3.460 2.424 2.232 2.638 . 0 0 "[ . 1 . 2]" 1
857 1 51 ARG H 1 51 ARG HB3 3.630 . 3.630 3.369 2.567 3.638 0.008 6 0 "[ . 1 . 2]" 1
858 1 51 ARG H 1 51 ARG HG2 4.900 . 4.900 3.905 3.345 4.592 . 0 0 "[ . 1 . 2]" 1
859 1 51 ARG H 1 51 ARG QG 4.150 . 4.150 2.992 2.265 4.039 . 0 0 "[ . 1 . 2]" 1
860 1 51 ARG H 1 51 ARG HG3 4.900 . 4.900 3.188 2.292 4.565 . 0 0 "[ . 1 . 2]" 1
861 1 51 ARG H 1 52 ILE H 3.680 . 3.680 2.704 2.597 2.858 . 0 0 "[ . 1 . 2]" 1
862 1 51 ARG HA 1 51 ARG HD2 4.940 . 4.940 4.497 2.824 4.883 . 0 0 "[ . 1 . 2]" 1
863 1 51 ARG HA 1 51 ARG QD 4.190 . 4.190 3.993 2.760 4.296 0.106 4 0 "[ . 1 . 2]" 1
864 1 51 ARG HA 1 51 ARG HD3 4.940 . 4.940 4.531 3.888 4.811 . 0 0 "[ . 1 . 2]" 1
865 1 51 ARG HA 1 51 ARG HG2 4.160 . 4.160 2.746 2.308 3.749 . 0 0 "[ . 1 . 2]" 1
866 1 51 ARG HA 1 51 ARG HG3 4.160 . 4.160 2.888 2.465 3.357 . 0 0 "[ . 1 . 2]" 1
867 1 51 ARG HA 1 54 GLN QB 4.030 . 4.030 2.405 2.067 2.775 . 0 0 "[ . 1 . 2]" 1
868 1 51 ARG HB2 1 52 ILE H 4.120 . 4.120 2.960 2.465 3.885 . 0 0 "[ . 1 . 2]" 1
869 1 51 ARG HB2 1 52 ILE HG13 4.820 . 4.820 3.912 3.183 4.983 0.163 2 0 "[ . 1 . 2]" 1
870 1 51 ARG HB3 1 52 ILE H 3.460 . 3.460 3.242 2.325 3.664 0.204 10 0 "[ . 1 . 2]" 1
871 1 51 ARG QG 1 52 ILE H 4.880 . 4.880 4.124 3.312 4.642 . 0 0 "[ . 1 . 2]" 1
872 1 51 ARG HG2 1 52 ILE H 5.780 . 5.780 4.753 3.404 5.213 . 0 0 "[ . 1 . 2]" 1
873 1 51 ARG HG3 1 52 ILE H 5.780 . 5.780 4.663 4.315 5.234 . 0 0 "[ . 1 . 2]" 1
874 1 52 ILE H 1 52 ILE HB 3.340 . 3.340 2.499 2.379 2.623 . 0 0 "[ . 1 . 2]" 1
875 1 52 ILE H 1 52 ILE MD 4.220 . 4.220 3.539 3.360 3.640 . 0 0 "[ . 1 . 2]" 1
876 1 52 ILE H 1 52 ILE HG12 3.900 . 3.900 3.483 3.322 3.609 . 0 0 "[ . 1 . 2]" 1
877 1 52 ILE H 1 52 ILE HG13 4.010 . 4.010 2.163 1.966 2.315 . 0 0 "[ . 1 . 2]" 1
878 1 52 ILE H 1 52 ILE MG 4.150 . 4.150 3.809 3.774 3.833 . 0 0 "[ . 1 . 2]" 1
879 1 52 ILE H 1 53 VAL H 3.600 . 3.600 2.852 2.628 2.998 . 0 0 "[ . 1 . 2]" 1
880 1 52 ILE H 1 53 VAL HB 5.350 . 5.350 5.079 4.820 5.315 . 0 0 "[ . 1 . 2]" 1
881 1 52 ILE H 1 53 VAL MG2 5.780 . 5.780 4.178 4.000 4.327 . 0 0 "[ . 1 . 2]" 1
882 1 52 ILE H 1 54 GLN H 4.680 . 4.680 4.090 3.846 4.357 . 0 0 "[ . 1 . 2]" 1
883 1 52 ILE HA 1 52 ILE MD 4.330 . 4.330 3.894 3.830 3.945 . 0 0 "[ . 1 . 2]" 1
884 1 52 ILE HA 1 52 ILE HG12 4.170 . 4.170 2.600 2.478 2.733 . 0 0 "[ . 1 . 2]" 1
885 1 52 ILE HA 1 52 ILE HG13 3.980 . 3.980 2.944 2.837 3.074 . 0 0 "[ . 1 . 2]" 1
886 1 52 ILE HA 1 52 ILE MG 3.660 . 3.660 2.554 2.442 2.636 . 0 0 "[ . 1 . 2]" 1
887 1 52 ILE HA 1 55 GLU H 4.170 . 4.170 3.571 3.329 3.814 . 0 0 "[ . 1 . 2]" 1
888 1 52 ILE HA 1 55 GLU QB 3.920 . 3.920 3.019 2.495 3.911 . 0 0 "[ . 1 . 2]" 1
889 1 52 ILE HA 1 55 GLU QG 4.690 . 4.690 3.118 2.163 4.138 . 0 0 "[ . 1 . 2]" 1
890 1 52 ILE HA 1 56 GLU H 5.740 . 5.740 4.613 4.202 5.073 . 0 0 "[ . 1 . 2]" 1
891 1 52 ILE HB 1 53 VAL H 4.120 . 4.120 2.511 2.363 2.753 . 0 0 "[ . 1 . 2]" 1
892 1 52 ILE HB 1 53 VAL HA 5.160 . 5.160 4.480 4.288 4.661 . 0 0 "[ . 1 . 2]" 1
893 1 52 ILE HB 1 53 VAL MG1 5.780 . 5.780 5.545 5.334 5.643 . 0 0 "[ . 1 . 2]" 1
894 1 52 ILE HB 1 53 VAL MG2 5.780 . 5.780 3.159 2.847 3.268 . 0 0 "[ . 1 . 2]" 1
895 1 52 ILE HB 1 71 VAL MG1 3.980 . 3.980 2.988 2.544 3.457 . 0 0 "[ . 1 . 2]" 1
896 1 52 ILE HB 1 71 VAL MG2 5.440 . 5.440 4.285 3.818 5.253 . 0 0 "[ . 1 . 2]" 1
897 1 52 ILE MD 1 53 VAL H 4.660 . 4.660 4.538 4.298 4.681 0.021 9 0 "[ . 1 . 2]" 1
898 1 52 ILE MD 1 71 VAL HA 5.200 . 5.200 4.254 3.717 5.206 0.006 17 0 "[ . 1 . 2]" 1
899 1 52 ILE MD 1 74 ARG H 5.400 . 5.400 4.790 4.361 5.421 0.021 10 0 "[ . 1 . 2]" 1
900 1 52 ILE MD 1 75 MET H 4.770 . 4.770 3.753 3.159 4.417 . 0 0 "[ . 1 . 2]" 1
901 1 52 ILE MD 1 75 MET HA 4.940 . 4.940 3.779 2.686 4.741 . 0 0 "[ . 1 . 2]" 1
902 1 52 ILE MD 1 75 MET ME 4.130 . 4.130 2.938 1.710 4.171 0.041 12 0 "[ . 1 . 2]" 1
903 1 52 ILE MD 1 77 TYR QE 5.780 . 5.780 5.356 4.738 5.879 0.099 18 0 "[ . 1 . 2]" 1
904 1 52 ILE HG12 1 53 VAL H 5.550 . 5.550 5.019 4.938 5.093 . 0 0 "[ . 1 . 2]" 1
905 1 52 ILE HG13 1 53 VAL H 5.160 . 5.160 4.339 4.173 4.489 . 0 0 "[ . 1 . 2]" 1
906 1 52 ILE HG13 1 74 ARG QB 5.780 . 5.780 4.878 4.221 5.546 . 0 0 "[ . 1 . 2]" 1
907 1 52 ILE MG 1 53 VAL H 4.640 . 4.640 3.211 3.008 3.617 . 0 0 "[ . 1 . 2]" 1
908 1 52 ILE MG 1 53 VAL HA 4.760 . 4.760 3.422 3.218 3.800 . 0 0 "[ . 1 . 2]" 1
909 1 52 ILE MG 1 53 VAL MG1 5.780 . 5.780 4.840 4.570 5.195 . 0 0 "[ . 1 . 2]" 1
910 1 52 ILE MG 1 55 GLU H 5.230 . 5.230 4.841 4.618 5.073 . 0 0 "[ . 1 . 2]" 1
911 1 52 ILE MG 1 55 GLU QB 4.810 . 4.810 4.034 3.609 4.977 0.167 16 0 "[ . 1 . 2]" 1
912 1 52 ILE MG 1 56 GLU H 5.520 . 5.520 4.590 4.225 5.112 . 0 0 "[ . 1 . 2]" 1
913 1 52 ILE MG 1 56 GLU QG 4.450 . 4.450 3.301 2.535 4.577 0.127 14 0 "[ . 1 . 2]" 1
914 1 52 ILE MG 1 71 VAL HA 3.620 . 3.620 2.267 1.955 2.949 . 0 0 "[ . 1 . 2]" 1
915 1 52 ILE MG 1 71 VAL MG2 3.620 . 3.620 2.557 2.195 3.269 . 0 0 "[ . 1 . 2]" 1
916 1 52 ILE MG 1 74 ARG H 4.810 . 4.810 4.171 3.542 4.716 . 0 0 "[ . 1 . 2]" 1
917 1 52 ILE MG 1 74 ARG QB 4.660 . 4.660 2.295 1.975 2.657 . 0 0 "[ . 1 . 2]" 1
918 1 52 ILE MG 1 75 MET H 5.780 . 5.780 4.264 3.625 4.850 . 0 0 "[ . 1 . 2]" 1
919 1 53 VAL H 1 53 VAL HB 3.450 . 3.450 2.622 2.495 2.738 . 0 0 "[ . 1 . 2]" 1
920 1 53 VAL H 1 53 VAL MG1 4.390 . 4.390 3.815 3.783 3.835 . 0 0 "[ . 1 . 2]" 1
921 1 53 VAL H 1 53 VAL MG2 3.320 . 3.320 2.013 1.932 2.195 . 0 0 "[ . 1 . 2]" 1
922 1 53 VAL H 1 71 VAL MG2 5.260 . 5.260 4.040 3.721 4.816 . 0 0 "[ . 1 . 2]" 1
923 1 53 VAL HA 1 53 VAL MG1 3.710 . 3.710 2.435 2.349 2.514 . 0 0 "[ . 1 . 2]" 1
924 1 53 VAL HA 1 53 VAL MG2 3.550 . 3.550 2.489 2.391 2.583 . 0 0 "[ . 1 . 2]" 1
925 1 53 VAL HA 1 55 GLU H 5.750 . 5.750 4.468 4.194 4.666 . 0 0 "[ . 1 . 2]" 1
926 1 53 VAL HA 1 56 GLU H 4.260 . 4.260 3.544 3.303 3.766 . 0 0 "[ . 1 . 2]" 1
927 1 53 VAL HA 1 56 GLU QB 4.040 . 4.040 2.837 2.287 3.362 . 0 0 "[ . 1 . 2]" 1
928 1 53 VAL HA 1 56 GLU QG 5.000 . 5.000 3.377 2.670 4.331 . 0 0 "[ . 1 . 2]" 1
929 1 53 VAL HA 1 57 GLY H 5.640 . 5.640 5.031 4.122 5.499 . 0 0 "[ . 1 . 2]" 1
930 1 53 VAL HA 1 62 THR MG 5.510 . 5.510 3.428 3.004 3.858 . 0 0 "[ . 1 . 2]" 1
931 1 53 VAL HA 1 71 VAL MG2 4.490 . 4.490 2.560 2.127 2.978 . 0 0 "[ . 1 . 2]" 1
932 1 53 VAL HB 1 54 GLN H 3.430 . 3.430 2.727 2.502 2.973 . 0 0 "[ . 1 . 2]" 1
933 1 53 VAL MG1 1 54 GLN H 4.460 . 4.460 3.640 3.393 3.874 . 0 0 "[ . 1 . 2]" 1
934 1 53 VAL MG1 1 54 GLN HA 4.650 . 4.650 3.761 3.500 4.047 . 0 0 "[ . 1 . 2]" 1
935 1 53 VAL MG1 1 54 GLN QB 4.880 . 4.880 4.464 4.203 4.742 . 0 0 "[ . 1 . 2]" 1
936 1 53 VAL MG1 1 56 GLU HB2 5.780 . 5.780 3.850 3.453 4.772 . 0 0 "[ . 1 . 2]" 1
937 1 53 VAL MG1 1 56 GLU QB 4.870 . 4.870 3.671 3.361 4.116 . 0 0 "[ . 1 . 2]" 1
938 1 53 VAL MG1 1 56 GLU HB3 5.780 . 5.780 4.873 3.581 5.549 . 0 0 "[ . 1 . 2]" 1
939 1 53 VAL MG1 1 57 GLY H 5.450 . 5.450 4.823 3.940 5.399 . 0 0 "[ . 1 . 2]" 1
940 1 53 VAL MG1 1 58 GLY H 4.410 . 4.410 3.440 2.763 3.775 . 0 0 "[ . 1 . 2]" 1
941 1 53 VAL MG1 1 58 GLY QA 3.890 . 3.890 2.896 2.417 3.371 . 0 0 "[ . 1 . 2]" 1
942 1 53 VAL MG1 1 59 MET H 4.020 . 4.020 2.898 2.469 3.340 . 0 0 "[ . 1 . 2]" 1
943 1 53 VAL MG1 1 59 MET HA 3.550 . 3.550 2.138 1.915 2.417 . 0 0 "[ . 1 . 2]" 1
944 1 53 VAL MG1 1 59 MET QB 3.870 . 3.870 2.586 1.974 3.210 . 0 0 "[ . 1 . 2]" 1
945 1 53 VAL MG1 1 59 MET ME 5.780 . 5.780 4.795 4.315 5.365 . 0 0 "[ . 1 . 2]" 1
946 1 53 VAL MG1 1 60 GLU H 5.780 . 5.780 4.626 4.375 4.902 . 0 0 "[ . 1 . 2]" 1
947 1 53 VAL MG1 1 60 GLU QG 5.780 . 5.780 5.815 5.493 6.037 0.257 10 0 "[ . 1 . 2]" 1
948 1 53 VAL MG1 1 62 THR H 4.750 . 4.750 4.197 3.716 4.588 . 0 0 "[ . 1 . 2]" 1
949 1 53 VAL MG1 1 62 THR HA 5.510 . 5.510 4.953 4.540 5.514 0.004 1 0 "[ . 1 . 2]" 1
950 1 53 VAL MG1 1 62 THR HB 4.300 . 4.300 2.787 2.227 3.524 . 0 0 "[ . 1 . 2]" 1
951 1 53 VAL MG1 1 62 THR MG 4.430 . 4.430 2.535 2.098 3.325 . 0 0 "[ . 1 . 2]" 1
952 1 53 VAL MG1 1 68 TRP HH2 4.250 . 4.250 2.582 2.343 2.771 . 0 0 "[ . 1 . 2]" 1
953 1 53 VAL MG1 1 71 VAL MG1 4.470 . 4.470 3.858 3.344 4.167 . 0 0 "[ . 1 . 2]" 1
954 1 53 VAL MG1 1 71 VAL MG2 4.210 . 4.210 3.019 2.526 3.552 . 0 0 "[ . 1 . 2]" 1
955 1 53 VAL MG1 1 91 TYR QD 5.020 . 5.020 4.065 3.537 4.645 . 0 0 "[ . 1 . 2]" 1
956 1 53 VAL MG2 1 54 GLN QB 5.580 . 5.580 5.059 4.869 5.240 . 0 0 "[ . 1 . 2]" 1
957 1 53 VAL MG2 1 56 GLU QG 5.780 . 5.780 4.702 4.016 5.756 . 0 0 "[ . 1 . 2]" 1
958 1 53 VAL MG2 1 59 MET HA 4.980 . 4.980 4.307 4.134 4.565 . 0 0 "[ . 1 . 2]" 1
959 1 53 VAL MG2 1 62 THR MG 4.120 . 4.120 3.538 2.937 4.035 . 0 0 "[ . 1 . 2]" 1
960 1 53 VAL MG2 1 68 TRP HH2 3.600 . 3.600 2.946 2.585 3.375 . 0 0 "[ . 1 . 2]" 1
961 1 53 VAL MG2 1 68 TRP HZ2 5.350 . 5.350 4.649 4.083 5.063 . 0 0 "[ . 1 . 2]" 1
962 1 53 VAL MG2 1 68 TRP HZ3 3.780 . 3.780 2.380 2.139 2.563 . 0 0 "[ . 1 . 2]" 1
963 1 53 VAL MG2 1 71 VAL HA 5.480 . 5.480 4.507 4.200 4.874 . 0 0 "[ . 1 . 2]" 1
964 1 53 VAL MG2 1 71 VAL MG2 3.060 . 3.060 2.344 2.061 3.022 . 0 0 "[ . 1 . 2]" 1
965 1 53 VAL MG2 1 87 LEU MD1 5.020 . 5.020 4.362 3.966 4.587 . 0 0 "[ . 1 . 2]" 1
966 1 53 VAL MG2 1 88 LYS HA 5.740 . 5.740 5.415 5.134 5.685 . 0 0 "[ . 1 . 2]" 1
967 1 53 VAL MG2 1 91 TYR QD 4.190 . 4.190 3.863 3.495 4.255 0.065 18 0 "[ . 1 . 2]" 1
968 1 54 GLN H 1 54 GLN QB 3.320 . 3.320 2.242 2.213 2.279 . 0 0 "[ . 1 . 2]" 1
969 1 54 GLN H 1 54 GLN QE 5.200 . 5.200 4.877 3.812 5.235 0.035 16 0 "[ . 1 . 2]" 1
970 1 54 GLN H 1 56 GLU H 4.830 . 4.830 4.037 3.853 4.281 . 0 0 "[ . 1 . 2]" 1
971 1 54 GLN HA 1 56 GLU H 5.300 . 5.300 4.182 3.773 4.445 . 0 0 "[ . 1 . 2]" 1
972 1 54 GLN HA 1 57 GLY H 4.660 . 4.660 3.462 2.981 4.188 . 0 0 "[ . 1 . 2]" 1
973 1 54 GLN HA 1 58 GLY H 3.740 . 3.740 2.435 1.991 2.926 . 0 0 "[ . 1 . 2]" 1
974 1 54 GLN HA 1 58 GLY HA2 4.630 . 4.630 2.327 2.007 2.984 . 0 0 "[ . 1 . 2]" 1
975 1 54 GLN HA 1 58 GLY QA 3.910 . 3.910 2.296 1.996 2.928 . 0 0 "[ . 1 . 2]" 1
976 1 54 GLN HA 1 58 GLY HA3 4.630 . 4.630 3.587 3.032 4.243 . 0 0 "[ . 1 . 2]" 1
977 1 54 GLN HA 1 59 MET H 5.410 . 5.410 4.576 4.178 5.158 . 0 0 "[ . 1 . 2]" 1
978 1 54 GLN QB 1 55 GLU H 3.620 . 3.620 2.673 2.394 2.881 . 0 0 "[ . 1 . 2]" 1
979 1 54 GLN QB 1 58 GLY H 4.840 . 4.840 4.488 4.146 4.865 0.025 11 0 "[ . 1 . 2]" 1
980 1 54 GLN QE 1 55 GLU H 5.350 . 5.350 4.456 2.443 5.545 0.195 10 0 "[ . 1 . 2]" 1
981 1 54 GLN QG 1 55 GLU H 5.780 . 5.780 3.963 3.450 4.452 . 0 0 "[ . 1 . 2]" 1
982 1 54 GLN QG 1 57 GLY HA2 5.780 . 5.780 5.255 4.358 5.765 . 0 0 "[ . 1 . 2]" 1
983 1 55 GLU H 1 55 GLU QB 3.270 . 3.270 2.479 2.361 2.613 . 0 0 "[ . 1 . 2]" 1
984 1 55 GLU H 1 55 GLU QG 3.400 . 3.400 2.288 2.167 2.418 . 0 0 "[ . 1 . 2]" 1
985 1 55 GLU H 1 56 GLU H 3.560 . 3.560 2.628 2.550 2.835 . 0 0 "[ . 1 . 2]" 1
986 1 55 GLU H 1 57 GLY H 5.330 . 5.330 4.026 3.835 4.444 . 0 0 "[ . 1 . 2]" 1
987 1 55 GLU H 1 58 GLY H 5.250 . 5.250 4.671 4.366 5.197 . 0 0 "[ . 1 . 2]" 1
988 1 55 GLU HA 1 55 GLU HG2 4.000 . 4.000 2.900 2.494 3.803 . 0 0 "[ . 1 . 2]" 1
989 1 55 GLU HA 1 55 GLU HG3 4.000 . 4.000 3.407 2.942 3.873 . 0 0 "[ . 1 . 2]" 1
990 1 55 GLU HA 1 57 GLY H 5.230 . 5.230 3.854 3.247 4.782 . 0 0 "[ . 1 . 2]" 1
991 1 55 GLU QB 1 56 GLU H 3.650 . 3.650 2.870 2.475 3.615 . 0 0 "[ . 1 . 2]" 1
992 1 55 GLU HB2 1 56 GLU H 4.250 . 4.250 2.966 2.520 4.021 . 0 0 "[ . 1 . 2]" 1
993 1 55 GLU HB3 1 56 GLU H 4.250 . 4.250 3.888 3.614 4.099 . 0 0 "[ . 1 . 2]" 1
994 1 55 GLU HG2 1 56 GLU H 5.310 . 5.310 4.734 2.819 5.305 . 0 0 "[ . 1 . 2]" 1
995 1 55 GLU HG3 1 56 GLU H 5.310 . 5.310 4.659 2.678 5.296 . 0 0 "[ . 1 . 2]" 1
996 1 56 GLU H 1 56 GLU HB2 3.930 . 3.930 2.456 2.147 2.566 . 0 0 "[ . 1 . 2]" 1
997 1 56 GLU H 1 56 GLU QB 3.220 . 3.220 2.404 2.127 2.519 . 0 0 "[ . 1 . 2]" 1
998 1 56 GLU H 1 56 GLU HB3 3.930 . 3.930 3.569 2.420 3.694 . 0 0 "[ . 1 . 2]" 1
999 1 56 GLU H 1 56 GLU QG 3.820 . 3.820 2.599 2.183 3.998 0.178 14 0 "[ . 1 . 2]" 1
1000 1 56 GLU H 1 58 GLY H 4.480 . 4.480 3.757 3.471 4.141 . 0 0 "[ . 1 . 2]" 1
1001 1 56 GLU QB 1 58 GLY H 5.100 . 5.100 3.774 3.094 4.371 . 0 0 "[ . 1 . 2]" 1
1002 1 56 GLU QB 1 62 THR MG 4.740 . 4.740 2.860 2.273 3.518 . 0 0 "[ . 1 . 2]" 1
1003 1 56 GLU QB 1 71 VAL MG2 4.380 . 4.380 3.241 2.360 4.160 . 0 0 "[ . 1 . 2]" 1
1004 1 56 GLU QG 1 71 VAL MG2 5.220 . 5.220 2.705 1.661 4.033 . 0 0 "[ . 1 . 2]" 1
1005 1 57 GLY H 1 58 GLY H 3.400 . 3.400 2.180 1.736 3.137 . 0 0 "[ . 1 . 2]" 1
1006 1 57 GLY HA2 1 61 GLN QB 4.780 . 4.780 4.094 3.556 4.649 . 0 0 "[ . 1 . 2]" 1
1007 1 57 GLY HA2 1 61 GLN QG 5.780 . 5.780 4.308 2.974 5.032 . 0 0 "[ . 1 . 2]" 1
1008 1 57 GLY HA3 1 61 GLN QB 4.190 . 4.190 2.953 2.562 3.500 . 0 0 "[ . 1 . 2]" 1
1009 1 57 GLY HA3 1 61 GLN QG 4.370 . 4.370 3.155 2.218 3.713 . 0 0 "[ . 1 . 2]" 1
1010 1 57 GLY HA3 1 62 THR H 5.780 . 5.780 4.626 3.390 5.461 . 0 0 "[ . 1 . 2]" 1
1011 1 58 GLY H 1 59 MET H 4.790 . 4.790 4.362 4.106 4.502 . 0 0 "[ . 1 . 2]" 1
1012 1 58 GLY H 1 61 GLN QB 5.610 . 5.610 4.263 3.370 4.973 . 0 0 "[ . 1 . 2]" 1
1013 1 58 GLY QA 1 60 GLU H 4.970 . 4.970 3.690 3.364 4.169 . 0 0 "[ . 1 . 2]" 1
1014 1 58 GLY QA 1 61 GLN H 5.610 . 5.610 3.847 3.336 4.149 . 0 0 "[ . 1 . 2]" 1
1015 1 59 MET H 1 59 MET QB 3.410 . 3.410 2.415 2.194 2.623 . 0 0 "[ . 1 . 2]" 1
1016 1 59 MET H 1 59 MET ME 4.780 . 4.780 4.655 4.244 4.816 0.036 13 0 "[ . 1 . 2]" 1
1017 1 59 MET H 1 60 GLU H 3.960 . 3.960 2.854 2.690 3.222 . 0 0 "[ . 1 . 2]" 1
1018 1 59 MET H 1 60 GLU QG 4.790 . 4.790 4.248 3.782 4.684 . 0 0 "[ . 1 . 2]" 1
1019 1 59 MET H 1 61 GLN H 5.250 . 5.250 4.562 3.886 4.919 . 0 0 "[ . 1 . 2]" 1
1020 1 59 MET HA 1 60 GLU QG 5.430 . 5.430 5.101 4.889 5.377 . 0 0 "[ . 1 . 2]" 1
1021 1 59 MET HA 1 62 THR H 4.910 . 4.910 3.762 3.371 4.110 . 0 0 "[ . 1 . 2]" 1
1022 1 59 MET HA 1 62 THR HB 4.010 . 4.010 2.627 2.081 3.022 . 0 0 "[ . 1 . 2]" 1
1023 1 59 MET HA 1 62 THR MG 4.020 . 4.020 3.897 3.412 4.242 0.222 18 0 "[ . 1 . 2]" 1
1024 1 59 MET HA 1 68 TRP HZ2 4.030 . 4.030 2.835 2.287 3.195 . 0 0 "[ . 1 . 2]" 1
1025 1 59 MET QB 1 59 MET ME 3.290 . 3.290 2.107 1.947 2.415 . 0 0 "[ . 1 . 2]" 1
1026 1 59 MET QB 1 60 GLU H 4.580 . 4.580 3.056 2.193 3.632 . 0 0 "[ . 1 . 2]" 1
1027 1 59 MET QB 1 68 TRP HZ2 4.610 . 4.610 2.974 1.968 4.149 . 0 0 "[ . 1 . 2]" 1
1028 1 59 MET QB 1 91 TYR QD 4.750 . 4.750 3.224 2.506 3.935 . 0 0 "[ . 1 . 2]" 1
1029 1 59 MET ME 1 60 GLU H 4.230 . 4.230 3.721 2.582 4.323 0.093 6 0 "[ . 1 . 2]" 1
1030 1 59 MET ME 1 60 GLU HA 4.250 . 4.250 3.461 2.645 4.107 . 0 0 "[ . 1 . 2]" 1
1031 1 59 MET ME 1 60 GLU QG 3.980 . 3.980 3.008 2.158 4.142 0.162 2 0 "[ . 1 . 2]" 1
1032 1 59 MET ME 1 91 TYR HB3 5.570 . 5.570 2.987 2.030 4.201 . 0 0 "[ . 1 . 2]" 1
1033 1 59 MET ME 1 91 TYR QD 5.230 . 5.230 4.076 3.244 5.101 . 0 0 "[ . 1 . 2]" 1
1034 1 59 MET ME 1 92 GLU H 5.190 . 5.190 4.182 3.297 5.193 0.003 4 0 "[ . 1 . 2]" 1
1035 1 59 MET ME 1 92 GLU HA 4.830 . 4.830 2.925 1.999 3.862 . 0 0 "[ . 1 . 2]" 1
1036 1 59 MET ME 1 92 GLU HG2 3.490 . 3.490 3.356 2.899 3.664 0.174 5 0 "[ . 1 . 2]" 1
1037 1 59 MET ME 1 92 GLU HG3 5.240 . 5.240 4.612 4.164 4.974 . 0 0 "[ . 1 . 2]" 1
1038 1 60 GLU H 1 60 GLU HB2 3.920 . 3.920 2.705 2.486 3.575 . 0 0 "[ . 1 . 2]" 1
1039 1 60 GLU H 1 60 GLU QB 3.020 . 3.020 2.573 2.444 2.914 . 0 0 "[ . 1 . 2]" 1
1040 1 60 GLU H 1 60 GLU HB3 3.920 . 3.920 3.540 2.708 3.630 . 0 0 "[ . 1 . 2]" 1
1041 1 60 GLU H 1 60 GLU QG 3.690 . 3.690 2.169 1.799 2.665 . 0 0 "[ . 1 . 2]" 1
1042 1 60 GLU H 1 61 GLN H 3.710 . 3.710 2.725 2.608 2.989 . 0 0 "[ . 1 . 2]" 1
1043 1 60 GLU H 1 62 THR H 5.340 . 5.340 4.065 3.781 4.415 . 0 0 "[ . 1 . 2]" 1
1044 1 60 GLU HA 1 60 GLU QG 3.600 . 3.600 2.652 2.456 3.420 . 0 0 "[ . 1 . 2]" 1
1045 1 60 GLU HA 1 61 GLN HA 5.070 . 5.070 4.814 4.774 4.894 . 0 0 "[ . 1 . 2]" 1
1046 1 60 GLU HA 1 63 THR HB 4.420 . 4.420 3.041 2.183 3.590 . 0 0 "[ . 1 . 2]" 1
1047 1 60 GLU QB 1 61 GLN H 4.130 . 4.130 2.549 2.190 3.449 . 0 0 "[ . 1 . 2]" 1
1048 1 60 GLU QG 1 61 GLN H 4.800 . 4.800 3.909 2.066 4.275 . 0 0 "[ . 1 . 2]" 1
1049 1 61 GLN H 1 61 GLN HB2 3.510 . 3.510 2.549 2.233 2.756 . 0 0 "[ . 1 . 2]" 1
1050 1 61 GLN H 1 61 GLN QB 2.940 . 2.940 2.269 2.188 2.324 . 0 0 "[ . 1 . 2]" 1
1051 1 61 GLN H 1 61 GLN HB3 3.510 . 3.510 2.588 2.389 3.138 . 0 0 "[ . 1 . 2]" 1
1052 1 61 GLN H 1 61 GLN QG 4.470 . 4.470 4.054 3.787 4.114 . 0 0 "[ . 1 . 2]" 1
1053 1 61 GLN H 1 62 THR H 3.620 . 3.620 2.625 2.514 2.742 . 0 0 "[ . 1 . 2]" 1
1054 1 61 GLN H 1 62 THR HA 5.780 . 5.780 5.280 5.196 5.369 . 0 0 "[ . 1 . 2]" 1
1055 1 61 GLN H 1 62 THR HB 5.780 . 5.780 4.828 4.617 5.085 . 0 0 "[ . 1 . 2]" 1
1056 1 61 GLN HA 1 61 GLN QE 5.110 . 5.110 3.362 2.225 4.183 . 0 0 "[ . 1 . 2]" 1
1057 1 61 GLN HA 1 61 GLN QG 3.740 . 3.740 2.816 2.377 3.196 . 0 0 "[ . 1 . 2]" 1
1058 1 61 GLN HA 1 64 LYS H 4.180 . 4.180 3.341 3.046 3.648 . 0 0 "[ . 1 . 2]" 1
1059 1 61 GLN HA 1 64 LYS QB 3.770 . 3.770 2.618 2.194 3.015 . 0 0 "[ . 1 . 2]" 1
1060 1 61 GLN HA 1 65 ASP H 4.550 . 4.550 4.034 3.419 4.324 . 0 0 "[ . 1 . 2]" 1
1061 1 61 GLN QB 1 62 THR H 3.640 . 3.640 2.654 2.386 2.957 . 0 0 "[ . 1 . 2]" 1
1062 1 61 GLN QB 1 65 ASP H 5.610 . 5.610 5.191 4.622 5.356 . 0 0 "[ . 1 . 2]" 1
1063 1 61 GLN HB2 1 62 THR H 4.370 . 4.370 3.901 3.632 4.063 . 0 0 "[ . 1 . 2]" 1
1064 1 61 GLN HB3 1 62 THR H 4.370 . 4.370 2.706 2.413 3.132 . 0 0 "[ . 1 . 2]" 1
1065 1 61 GLN QE 1 65 ASP H 4.370 . 4.370 3.625 2.649 4.275 . 0 0 "[ . 1 . 2]" 1
1066 1 61 GLN QE 1 65 ASP HA 4.450 . 4.450 4.227 3.602 4.621 0.171 11 0 "[ . 1 . 2]" 1
1067 1 61 GLN HE21 1 65 ASP H 4.990 . 4.990 3.933 2.700 4.881 . 0 0 "[ . 1 . 2]" 1
1068 1 61 GLN HE21 1 65 ASP HA 5.080 . 5.080 4.712 4.011 5.167 0.087 11 0 "[ . 1 . 2]" 1
1069 1 61 GLN HE22 1 65 ASP H 4.990 . 4.990 4.462 2.972 5.000 0.010 20 0 "[ . 1 . 2]" 1
1070 1 61 GLN HE22 1 65 ASP HA 5.080 . 5.080 4.899 3.689 5.307 0.227 2 0 "[ . 1 . 2]" 1
1071 1 61 GLN QG 1 62 THR H 4.950 . 4.950 3.982 3.234 4.757 . 0 0 "[ . 1 . 2]" 1
1072 1 61 GLN QG 1 64 LYS H 5.330 . 5.330 5.175 4.904 5.358 0.028 7 0 "[ . 1 . 2]" 1
1073 1 61 GLN QG 1 64 LYS QB 5.520 . 5.520 3.982 3.278 4.745 . 0 0 "[ . 1 . 2]" 1
1074 1 61 GLN QG 1 65 ASP H 4.590 . 4.590 4.448 4.062 4.804 0.214 7 0 "[ . 1 . 2]" 1
1075 1 62 THR H 1 62 THR HB 3.950 . 3.950 2.569 2.441 2.791 . 0 0 "[ . 1 . 2]" 1
1076 1 62 THR H 1 62 THR MG 4.200 . 4.200 3.805 3.778 3.838 . 0 0 "[ . 1 . 2]" 1
1077 1 62 THR H 1 63 THR H 3.620 . 3.620 2.725 2.605 2.934 . 0 0 "[ . 1 . 2]" 1
1078 1 62 THR H 1 63 THR HB 5.780 . 5.780 4.902 4.756 5.184 . 0 0 "[ . 1 . 2]" 1
1079 1 62 THR H 1 64 LYS H 4.840 . 4.840 4.249 3.978 4.518 . 0 0 "[ . 1 . 2]" 1
1080 1 62 THR HA 1 66 ARG H 5.780 . 5.780 4.180 3.880 4.641 . 0 0 "[ . 1 . 2]" 1
1081 1 62 THR HB 1 63 THR H 3.940 . 3.940 2.851 2.595 3.059 . 0 0 "[ . 1 . 2]" 1
1082 1 62 THR HB 1 68 TRP HZ2 4.510 . 4.510 3.611 3.138 3.910 . 0 0 "[ . 1 . 2]" 1
1083 1 62 THR MG 1 63 THR H 4.330 . 4.330 3.688 3.539 3.860 . 0 0 "[ . 1 . 2]" 1
1084 1 62 THR MG 1 63 THR HA 5.540 . 5.540 3.887 3.758 4.079 . 0 0 "[ . 1 . 2]" 1
1085 1 62 THR MG 1 65 ASP HB3 5.170 . 5.170 4.853 3.748 5.382 0.212 15 0 "[ . 1 . 2]" 1
1086 1 62 THR MG 1 66 ARG H 5.210 . 5.210 4.511 4.198 4.947 . 0 0 "[ . 1 . 2]" 1
1087 1 62 THR MG 1 66 ARG HA 5.780 . 5.780 4.480 3.909 4.968 . 0 0 "[ . 1 . 2]" 1
1088 1 62 THR MG 1 67 LYS H 4.030 . 4.030 2.995 2.733 3.282 . 0 0 "[ . 1 . 2]" 1
1089 1 62 THR MG 1 67 LYS HA 5.240 . 5.240 4.134 3.897 4.447 . 0 0 "[ . 1 . 2]" 1
1090 1 62 THR MG 1 67 LYS QB 3.710 . 3.710 2.177 1.678 3.606 . 0 0 "[ . 1 . 2]" 1
1091 1 62 THR MG 1 67 LYS QG 4.700 . 4.700 3.796 1.823 4.745 0.045 16 0 "[ . 1 . 2]" 1
1092 1 62 THR MG 1 68 TRP H 4.070 . 4.070 3.017 2.704 3.458 . 0 0 "[ . 1 . 2]" 1
1093 1 62 THR MG 1 68 TRP HA 4.230 . 4.230 2.838 2.517 3.127 . 0 0 "[ . 1 . 2]" 1
1094 1 62 THR MG 1 68 TRP HD1 4.260 . 4.260 3.279 3.025 3.592 . 0 0 "[ . 1 . 2]" 1
1095 1 62 THR MG 1 68 TRP HE1 4.600 . 4.600 3.318 3.005 3.589 . 0 0 "[ . 1 . 2]" 1
1096 1 62 THR MG 1 68 TRP HZ2 4.290 . 4.290 4.014 3.733 4.272 . 0 0 "[ . 1 . 2]" 1
1097 1 62 THR MG 1 70 LYS H 5.570 . 5.570 5.060 4.802 5.352 . 0 0 "[ . 1 . 2]" 1
1098 1 62 THR MG 1 71 VAL H 5.650 . 5.650 4.283 3.973 4.548 . 0 0 "[ . 1 . 2]" 1
1099 1 62 THR MG 1 71 VAL MG2 3.320 . 3.320 2.212 1.971 2.631 . 0 0 "[ . 1 . 2]" 1
1100 1 63 THR H 1 63 THR HB 3.280 . 3.280 2.494 2.420 2.602 . 0 0 "[ . 1 . 2]" 1
1101 1 63 THR H 1 63 THR MG 4.050 . 4.050 3.818 3.784 3.832 . 0 0 "[ . 1 . 2]" 1
1102 1 63 THR H 1 64 LYS H 3.580 . 3.580 2.673 2.508 2.834 . 0 0 "[ . 1 . 2]" 1
1103 1 63 THR H 1 68 TRP HE1 4.410 . 4.410 3.064 2.667 3.346 . 0 0 "[ . 1 . 2]" 1
1104 1 63 THR H 1 68 TRP HZ2 5.600 . 5.600 4.181 3.858 4.522 . 0 0 "[ . 1 . 2]" 1
1105 1 63 THR HA 1 63 THR MG 3.440 . 3.440 2.521 2.447 2.581 . 0 0 "[ . 1 . 2]" 1
1106 1 63 THR HA 1 65 ASP H 4.820 . 4.820 4.548 4.110 4.900 0.080 7 0 "[ . 1 . 2]" 1
1107 1 63 THR HA 1 66 ARG H 4.600 . 4.600 3.470 3.258 3.742 . 0 0 "[ . 1 . 2]" 1
1108 1 63 THR HA 1 68 TRP HD1 3.610 . 3.610 2.559 2.156 2.873 . 0 0 "[ . 1 . 2]" 1
1109 1 63 THR HA 1 68 TRP HE1 3.570 . 3.570 2.120 1.845 2.497 . 0 0 "[ . 1 . 2]" 1
1110 1 63 THR HB 1 64 LYS H 3.650 . 3.650 2.633 2.454 2.842 . 0 0 "[ . 1 . 2]" 1
1111 1 63 THR HB 1 64 LYS HA 4.970 . 4.970 4.459 4.184 4.617 . 0 0 "[ . 1 . 2]" 1
1112 1 63 THR HB 1 68 TRP HE1 4.640 . 4.640 3.673 3.543 3.808 . 0 0 "[ . 1 . 2]" 1
1113 1 63 THR MG 1 64 LYS H 4.060 . 4.060 3.384 3.089 3.611 . 0 0 "[ . 1 . 2]" 1
1114 1 63 THR MG 1 64 LYS HA 4.050 . 4.050 3.495 3.189 3.711 . 0 0 "[ . 1 . 2]" 1
1115 1 63 THR MG 1 65 ASP H 5.290 . 5.290 5.103 4.848 5.322 0.032 10 0 "[ . 1 . 2]" 1
1116 1 63 THR MG 1 66 ARG H 4.640 . 4.640 4.639 4.511 4.777 0.137 14 0 "[ . 1 . 2]" 1
1117 1 63 THR MG 1 68 TRP HD1 5.100 . 5.100 4.086 3.605 4.511 . 0 0 "[ . 1 . 2]" 1
1118 1 63 THR MG 1 68 TRP HE1 4.300 . 4.300 3.312 3.066 3.552 . 0 0 "[ . 1 . 2]" 1
1119 1 63 THR MG 1 88 LYS HE2 4.020 . 4.020 3.126 2.428 3.654 . 0 0 "[ . 1 . 2]" 1
1120 1 63 THR MG 1 88 LYS HE3 4.020 . 4.020 2.121 1.707 2.615 . 0 0 "[ . 1 . 2]" 1
1121 1 64 LYS H 1 64 LYS HB2 3.770 . 3.770 2.460 2.217 2.767 . 0 0 "[ . 1 . 2]" 1
1122 1 64 LYS H 1 64 LYS HB3 3.770 . 3.770 3.070 2.448 3.656 . 0 0 "[ . 1 . 2]" 1
1123 1 64 LYS H 1 64 LYS QD 4.590 . 4.590 4.131 2.945 4.744 0.154 5 0 "[ . 1 . 2]" 1
1124 1 64 LYS H 1 64 LYS QG 4.700 . 4.700 3.203 2.050 4.083 . 0 0 "[ . 1 . 2]" 1
1125 1 64 LYS H 1 65 ASP H 3.530 . 3.530 2.685 2.544 2.820 . 0 0 "[ . 1 . 2]" 1
1126 1 64 LYS H 1 66 ARG H 4.640 . 4.640 3.828 3.644 4.051 . 0 0 "[ . 1 . 2]" 1
1127 1 64 LYS HA 1 64 LYS QG 3.930 . 3.930 2.526 2.245 3.175 . 0 0 "[ . 1 . 2]" 1
1128 1 64 LYS HA 1 66 ARG H 4.860 . 4.860 4.090 3.874 4.257 . 0 0 "[ . 1 . 2]" 1
1129 1 64 LYS QB 1 64 LYS QE 3.530 . 3.530 2.654 1.900 3.690 0.160 3 0 "[ . 1 . 2]" 1
1130 1 64 LYS QB 1 65 ASP H 3.510 . 3.510 2.589 2.218 3.070 . 0 0 "[ . 1 . 2]" 1
1131 1 64 LYS QB 1 65 ASP HB2 4.550 . 4.550 4.157 3.375 4.668 0.118 18 0 "[ . 1 . 2]" 1
1132 1 64 LYS QB 1 66 ARG H 5.080 . 5.080 4.483 4.292 4.740 . 0 0 "[ . 1 . 2]" 1
1133 1 64 LYS QD 1 65 ASP H 5.780 . 5.780 4.853 3.915 5.546 . 0 0 "[ . 1 . 2]" 1
1134 1 64 LYS QG 1 65 ASP H 5.530 . 5.530 3.942 3.445 4.529 . 0 0 "[ . 1 . 2]" 1
1135 1 65 ASP H 1 65 ASP HB2 3.380 . 3.380 2.381 2.218 2.602 . 0 0 "[ . 1 . 2]" 1
1136 1 65 ASP H 1 65 ASP HB3 3.700 . 3.700 3.223 2.586 3.634 . 0 0 "[ . 1 . 2]" 1
1137 1 65 ASP H 1 66 ARG H 3.380 . 3.380 2.450 2.245 2.625 . 0 0 "[ . 1 . 2]" 1
1138 1 65 ASP H 1 66 ARG HA 5.290 . 5.290 4.659 4.474 4.830 . 0 0 "[ . 1 . 2]" 1
1139 1 65 ASP H 1 67 LYS H 4.710 . 4.710 4.134 3.804 4.810 0.100 3 0 "[ . 1 . 2]" 1
1140 1 65 ASP HB2 1 66 ARG H 4.990 . 4.990 3.592 2.994 4.316 . 0 0 "[ . 1 . 2]" 1
1141 1 65 ASP HB2 1 67 LYS QE 4.430 . 4.430 3.224 2.039 4.647 0.217 13 0 "[ . 1 . 2]" 1
1142 1 65 ASP HB2 1 67 LYS QG 4.190 . 4.190 3.283 1.960 4.296 0.106 17 0 "[ . 1 . 2]" 1
1143 1 65 ASP HB3 1 66 ARG H 4.950 . 4.950 3.705 2.925 4.213 . 0 0 "[ . 1 . 2]" 1
1144 1 65 ASP HB3 1 67 LYS HB2 5.240 . 5.240 3.773 2.327 4.589 . 0 0 "[ . 1 . 2]" 1
1145 1 65 ASP HB3 1 67 LYS QB 4.430 . 4.430 3.557 2.311 4.284 . 0 0 "[ . 1 . 2]" 1
1146 1 65 ASP HB3 1 67 LYS HB3 5.240 . 5.240 4.739 2.806 5.253 0.013 3 0 "[ . 1 . 2]" 1
1147 1 65 ASP HB3 1 67 LYS QG 4.090 . 4.090 2.379 1.769 3.822 . 0 0 "[ . 1 . 2]" 1
1148 1 66 ARG H 1 66 ARG HA 2.990 . 2.990 2.252 2.227 2.267 . 0 0 "[ . 1 . 2]" 1
1149 1 66 ARG H 1 66 ARG HB2 4.320 . 4.320 3.375 3.033 3.933 . 0 0 "[ . 1 . 2]" 1
1150 1 66 ARG H 1 66 ARG HB3 4.320 . 4.320 3.879 2.949 4.217 . 0 0 "[ . 1 . 2]" 1
1151 1 66 ARG H 1 67 LYS H 3.540 . 3.540 2.733 2.553 3.229 . 0 0 "[ . 1 . 2]" 1
1152 1 66 ARG H 1 68 TRP H 5.220 . 5.220 4.708 4.452 5.088 . 0 0 "[ . 1 . 2]" 1
1153 1 66 ARG HA 1 67 LYS H 3.400 . 3.400 2.878 2.309 3.208 . 0 0 "[ . 1 . 2]" 1
1154 1 66 ARG HA 1 68 TRP HD1 3.810 . 3.810 3.042 2.222 3.712 . 0 0 "[ . 1 . 2]" 1
1155 1 67 LYS H 1 67 LYS HB2 4.050 . 4.050 2.532 2.315 3.666 . 0 0 "[ . 1 . 2]" 1
1156 1 67 LYS H 1 67 LYS QB 3.430 . 3.430 2.444 2.214 2.734 . 0 0 "[ . 1 . 2]" 1
1157 1 67 LYS H 1 67 LYS HB3 4.050 . 4.050 3.567 2.689 3.824 . 0 0 "[ . 1 . 2]" 1
1158 1 67 LYS H 1 67 LYS QD 5.270 . 5.270 4.332 3.654 4.982 . 0 0 "[ . 1 . 2]" 1
1159 1 67 LYS H 1 67 LYS QG 3.740 . 3.740 2.635 1.905 3.944 0.204 20 0 "[ . 1 . 2]" 1
1160 1 67 LYS H 1 68 TRP H 3.510 . 3.510 2.825 2.048 3.245 . 0 0 "[ . 1 . 2]" 1
1161 1 67 LYS H 1 68 TRP HD1 4.400 . 4.400 4.065 3.401 4.423 0.023 11 0 "[ . 1 . 2]" 1
1162 1 67 LYS HA 1 68 TRP HA 5.320 . 5.320 4.824 4.635 4.935 . 0 0 "[ . 1 . 2]" 1
1163 1 68 TRP H 1 68 TRP HB2 3.960 . 3.960 2.391 2.315 2.437 . 0 0 "[ . 1 . 2]" 1
1164 1 68 TRP H 1 68 TRP QB 3.340 . 3.340 2.359 2.289 2.402 . 0 0 "[ . 1 . 2]" 1
1165 1 68 TRP H 1 68 TRP HB3 3.960 . 3.960 3.600 3.577 3.631 . 0 0 "[ . 1 . 2]" 1
1166 1 68 TRP H 1 68 TRP HD1 3.520 . 3.520 2.826 2.449 3.212 . 0 0 "[ . 1 . 2]" 1
1167 1 68 TRP H 1 69 ALA H 3.820 . 3.820 2.707 2.502 2.812 . 0 0 "[ . 1 . 2]" 1
1168 1 68 TRP H 1 69 ALA MB 4.770 . 4.770 4.347 4.205 4.464 . 0 0 "[ . 1 . 2]" 1
1169 1 68 TRP H 1 70 LYS H 5.000 . 5.000 4.316 3.859 4.534 . 0 0 "[ . 1 . 2]" 1
1170 1 68 TRP HA 1 68 TRP HD1 5.040 . 5.040 4.239 4.042 4.398 . 0 0 "[ . 1 . 2]" 1
1171 1 68 TRP HA 1 68 TRP HZ3 5.540 . 5.540 4.960 4.725 5.220 . 0 0 "[ . 1 . 2]" 1
1172 1 68 TRP HA 1 70 LYS H 4.320 . 4.320 4.127 3.895 4.322 0.002 17 0 "[ . 1 . 2]" 1
1173 1 68 TRP HA 1 71 VAL H 4.060 . 4.060 3.036 2.833 3.304 . 0 0 "[ . 1 . 2]" 1
1174 1 68 TRP HA 1 71 VAL HB 3.850 . 3.850 2.603 2.314 3.227 . 0 0 "[ . 1 . 2]" 1
1175 1 68 TRP HA 1 71 VAL MG1 4.740 . 4.740 3.917 3.727 4.372 . 0 0 "[ . 1 . 2]" 1
1176 1 68 TRP HA 1 71 VAL MG2 3.860 . 3.860 2.268 1.985 2.505 . 0 0 "[ . 1 . 2]" 1
1177 1 68 TRP HA 1 72 ALA H 5.240 . 5.240 4.257 3.964 4.747 . 0 0 "[ . 1 . 2]" 1
1178 1 68 TRP QB 1 68 TRP HD1 3.500 . 3.500 2.611 2.573 2.667 . 0 0 "[ . 1 . 2]" 1
1179 1 68 TRP QB 1 69 ALA H 4.340 . 4.340 2.937 2.748 3.195 . 0 0 "[ . 1 . 2]" 1
1180 1 68 TRP QB 1 70 LYS H 4.990 . 4.990 4.894 4.711 5.034 0.044 18 0 "[ . 1 . 2]" 1
1181 1 68 TRP QB 1 84 GLY H 5.550 . 5.550 4.842 4.502 5.318 . 0 0 "[ . 1 . 2]" 1
1182 1 68 TRP QB 1 84 GLY HA2 4.730 . 4.730 3.074 2.429 3.651 . 0 0 "[ . 1 . 2]" 1
1183 1 68 TRP QB 1 84 GLY HA3 4.530 . 4.530 2.901 2.484 3.479 . 0 0 "[ . 1 . 2]" 1
1184 1 68 TRP HB2 1 69 ALA H 5.160 . 5.160 3.054 2.830 3.353 . 0 0 "[ . 1 . 2]" 1
1185 1 68 TRP HB2 1 70 LYS H 5.710 . 5.710 5.378 5.136 5.586 . 0 0 "[ . 1 . 2]" 1
1186 1 68 TRP HB2 1 84 GLY HA3 5.290 . 5.290 3.651 3.018 4.377 . 0 0 "[ . 1 . 2]" 1
1187 1 68 TRP HB3 1 69 ALA H 5.160 . 5.160 3.818 3.658 4.023 . 0 0 "[ . 1 . 2]" 1
1188 1 68 TRP HB3 1 70 LYS H 5.710 . 5.710 5.631 5.459 5.731 0.021 12 0 "[ . 1 . 2]" 1
1189 1 68 TRP HB3 1 84 GLY HA3 5.290 . 5.290 3.057 2.580 3.652 . 0 0 "[ . 1 . 2]" 1
1190 1 68 TRP HD1 1 88 LYS QD 4.800 . 4.800 4.179 2.901 4.949 0.149 2 0 "[ . 1 . 2]" 1
1191 1 68 TRP HD1 1 88 LYS HG2 5.460 . 5.460 4.858 4.236 5.556 0.096 11 0 "[ . 1 . 2]" 1
1192 1 68 TRP HD1 1 88 LYS HG3 5.350 . 5.350 3.410 2.980 4.140 . 0 0 "[ . 1 . 2]" 1
1193 1 68 TRP HE1 1 88 LYS QD 4.870 . 4.870 4.294 3.160 4.910 0.040 4 0 "[ . 1 . 2]" 1
1194 1 68 TRP HE1 1 88 LYS QE 4.910 . 4.910 3.956 3.509 4.309 . 0 0 "[ . 1 . 2]" 1
1195 1 68 TRP HE1 1 88 LYS HG2 5.300 . 5.300 3.764 3.087 4.567 . 0 0 "[ . 1 . 2]" 1
1196 1 68 TRP HE1 1 88 LYS HG3 4.630 . 4.630 2.792 2.540 3.147 . 0 0 "[ . 1 . 2]" 1
1197 1 68 TRP HH2 1 88 LYS HA 5.010 . 5.010 3.625 3.262 4.003 . 0 0 "[ . 1 . 2]" 1
1198 1 68 TRP HH2 1 91 TYR HB2 4.260 . 4.260 2.930 2.623 3.320 . 0 0 "[ . 1 . 2]" 1
1199 1 68 TRP HH2 1 91 TYR HB3 4.090 . 4.090 3.292 2.945 3.844 . 0 0 "[ . 1 . 2]" 1
1200 1 68 TRP HH2 1 91 TYR QD 4.250 . 4.250 3.109 2.872 3.367 . 0 0 "[ . 1 . 2]" 1
1201 1 68 TRP HH2 1 91 TYR QE 5.190 . 5.190 3.971 3.570 4.438 . 0 0 "[ . 1 . 2]" 1
1202 1 68 TRP HZ2 1 88 LYS HA 4.670 . 4.670 3.541 3.288 3.821 . 0 0 "[ . 1 . 2]" 1
1203 1 68 TRP HZ2 1 88 LYS HG2 5.350 . 5.350 4.156 3.389 5.370 0.020 18 0 "[ . 1 . 2]" 1
1204 1 68 TRP HZ2 1 88 LYS HG3 4.690 . 4.690 4.095 3.239 4.750 0.060 14 0 "[ . 1 . 2]" 1
1205 1 68 TRP HZ2 1 91 TYR HB2 5.100 . 5.100 3.811 3.424 4.417 . 0 0 "[ . 1 . 2]" 1
1206 1 68 TRP HZ2 1 91 TYR HB3 4.500 . 4.500 4.029 3.551 4.395 . 0 0 "[ . 1 . 2]" 1
1207 1 68 TRP HZ2 1 92 GLU H 5.780 . 5.780 5.734 5.545 5.839 0.059 3 0 "[ . 1 . 2]" 1
1208 1 68 TRP HZ2 1 92 GLU HG2 4.860 . 4.860 4.812 4.426 5.044 0.184 12 0 "[ . 1 . 2]" 1
1209 1 68 TRP HZ3 1 71 VAL MG1 4.220 . 4.220 2.810 2.415 3.440 . 0 0 "[ . 1 . 2]" 1
1210 1 68 TRP HZ3 1 71 VAL MG2 5.270 . 5.270 3.608 3.142 4.146 . 0 0 "[ . 1 . 2]" 1
1211 1 68 TRP HZ3 1 88 LYS HA 5.780 . 5.780 3.860 3.533 4.222 . 0 0 "[ . 1 . 2]" 1
1212 1 68 TRP HZ3 1 91 TYR QD 4.780 . 4.780 3.162 2.770 3.464 . 0 0 "[ . 1 . 2]" 1
1213 1 68 TRP HZ3 1 91 TYR QE 4.250 . 4.250 3.290 2.715 3.940 . 0 0 "[ . 1 . 2]" 1
1214 1 69 ALA H 1 69 ALA MB 3.320 . 3.320 2.243 2.210 2.277 . 0 0 "[ . 1 . 2]" 1
1215 1 69 ALA H 1 70 LYS H 3.700 . 3.700 2.740 2.535 2.916 . 0 0 "[ . 1 . 2]" 1
1216 1 69 ALA H 1 71 VAL H 5.060 . 5.060 4.157 3.995 4.265 . 0 0 "[ . 1 . 2]" 1
1217 1 69 ALA H 1 84 GLY HA3 5.730 . 5.730 3.871 3.490 4.412 . 0 0 "[ . 1 . 2]" 1
1218 1 69 ALA HA 1 72 ALA H 4.170 . 4.170 3.714 3.298 4.001 . 0 0 "[ . 1 . 2]" 1
1219 1 69 ALA HA 1 72 ALA MB 3.530 . 3.530 3.016 2.605 3.563 0.033 7 0 "[ . 1 . 2]" 1
1220 1 69 ALA HA 1 84 GLY H 4.700 . 4.700 3.877 3.468 4.328 . 0 0 "[ . 1 . 2]" 1
1221 1 69 ALA HA 1 84 GLY HA3 4.540 . 4.540 2.862 2.299 3.448 . 0 0 "[ . 1 . 2]" 1
1222 1 69 ALA MB 1 70 LYS H 3.490 . 3.490 2.518 2.378 2.698 . 0 0 "[ . 1 . 2]" 1
1223 1 69 ALA MB 1 70 LYS QB 4.360 . 4.360 4.252 3.514 4.421 0.061 4 0 "[ . 1 . 2]" 1
1224 1 69 ALA MB 1 70 LYS QG 4.590 . 4.590 3.434 2.930 4.948 0.358 1 0 "[ . 1 . 2]" 1
1225 1 69 ALA MB 1 71 VAL H 4.960 . 4.960 4.564 4.414 4.753 . 0 0 "[ . 1 . 2]" 1
1226 1 69 ALA MB 1 84 GLY H 5.510 . 5.510 4.716 3.953 5.445 . 0 0 "[ . 1 . 2]" 1
1227 1 70 LYS H 1 70 LYS QB 3.280 . 3.280 2.405 2.136 2.554 . 0 0 "[ . 1 . 2]" 1
1228 1 70 LYS H 1 70 LYS QD 4.840 . 4.840 3.929 3.391 4.842 0.002 1 0 "[ . 1 . 2]" 1
1229 1 70 LYS H 1 70 LYS QG 4.710 . 4.710 2.511 2.131 4.020 . 0 0 "[ . 1 . 2]" 1
1230 1 70 LYS H 1 71 VAL H 3.440 . 3.440 2.683 2.557 2.787 . 0 0 "[ . 1 . 2]" 1
1231 1 70 LYS H 1 71 VAL HB 5.240 . 5.240 4.858 4.725 5.068 . 0 0 "[ . 1 . 2]" 1
1232 1 70 LYS H 1 71 VAL MG2 4.300 . 4.300 4.052 3.855 4.300 . 0 0 "[ . 1 . 2]" 1
1233 1 70 LYS H 1 72 ALA H 4.620 . 4.620 4.290 4.072 4.605 . 0 0 "[ . 1 . 2]" 1
1234 1 70 LYS H 1 73 ASN H 5.320 . 5.320 4.836 4.568 5.205 . 0 0 "[ . 1 . 2]" 1
1235 1 70 LYS HA 1 72 ALA H 4.750 . 4.750 4.455 4.149 4.730 . 0 0 "[ . 1 . 2]" 1
1236 1 70 LYS HA 1 73 ASN H 3.890 . 3.890 3.410 2.935 3.767 . 0 0 "[ . 1 . 2]" 1
1237 1 70 LYS HA 1 73 ASN QB 3.680 . 3.680 2.695 2.327 3.839 0.159 10 0 "[ . 1 . 2]" 1
1238 1 70 LYS HA 1 73 ASN QD 5.080 . 5.080 3.401 1.598 5.138 0.058 6 0 "[ . 1 . 2]" 1
1239 1 70 LYS QB 1 70 LYS QE 4.250 . 4.250 3.363 2.033 3.922 . 0 0 "[ . 1 . 2]" 1
1240 1 70 LYS QB 1 71 VAL H 3.550 . 3.550 2.660 2.365 2.898 . 0 0 "[ . 1 . 2]" 1
1241 1 70 LYS QB 1 71 VAL MG2 5.200 . 5.200 3.336 3.078 3.559 . 0 0 "[ . 1 . 2]" 1
1242 1 70 LYS HB2 1 71 VAL H 4.120 . 4.120 2.836 2.403 3.998 . 0 0 "[ . 1 . 2]" 1
1243 1 70 LYS HB3 1 71 VAL H 4.120 . 4.120 3.578 2.605 3.934 . 0 0 "[ . 1 . 2]" 1
1244 1 70 LYS QG 1 71 VAL H 5.300 . 5.300 4.195 3.988 4.480 . 0 0 "[ . 1 . 2]" 1
1245 1 71 VAL H 1 71 VAL HB 3.490 . 3.490 2.555 2.482 2.693 . 0 0 "[ . 1 . 2]" 1
1246 1 71 VAL H 1 71 VAL MG1 4.130 . 4.130 3.823 3.799 3.847 . 0 0 "[ . 1 . 2]" 1
1247 1 71 VAL H 1 71 VAL MG2 3.340 . 3.340 2.102 1.967 2.232 . 0 0 "[ . 1 . 2]" 1
1248 1 71 VAL H 1 72 ALA H 3.690 . 3.690 2.780 2.591 2.882 . 0 0 "[ . 1 . 2]" 1
1249 1 71 VAL H 1 72 ALA MB 4.970 . 4.970 4.429 4.248 4.556 . 0 0 "[ . 1 . 2]" 1
1250 1 71 VAL HA 1 71 VAL MG2 3.430 . 3.430 2.433 2.368 2.487 . 0 0 "[ . 1 . 2]" 1
1251 1 71 VAL HA 1 74 ARG H 4.290 . 4.290 3.810 3.527 4.162 . 0 0 "[ . 1 . 2]" 1
1252 1 71 VAL HA 1 74 ARG QB 4.450 . 4.450 3.096 2.633 3.778 . 0 0 "[ . 1 . 2]" 1
1253 1 71 VAL HB 1 72 ALA H 3.620 . 3.620 2.591 2.423 2.702 . 0 0 "[ . 1 . 2]" 1
1254 1 71 VAL HB 1 72 ALA HA 5.170 . 5.170 4.443 4.112 4.591 . 0 0 "[ . 1 . 2]" 1
1255 1 71 VAL HB 1 72 ALA MB 5.670 . 5.670 3.962 3.741 4.076 . 0 0 "[ . 1 . 2]" 1
1256 1 71 VAL HB 1 87 LEU MD1 4.810 . 4.810 3.264 2.955 3.603 . 0 0 "[ . 1 . 2]" 1
1257 1 71 VAL MG1 1 72 ALA H 4.360 . 4.360 3.399 3.219 3.583 . 0 0 "[ . 1 . 2]" 1
1258 1 71 VAL MG1 1 72 ALA HA 4.070 . 4.070 3.564 3.374 3.761 . 0 0 "[ . 1 . 2]" 1
1259 1 71 VAL MG1 1 72 ALA MB 4.600 . 4.600 4.052 3.909 4.253 . 0 0 "[ . 1 . 2]" 1
1260 1 71 VAL MG1 1 74 ARG H 5.500 . 5.500 4.994 4.677 5.277 . 0 0 "[ . 1 . 2]" 1
1261 1 71 VAL MG1 1 75 MET H 5.780 . 5.780 4.846 4.358 5.233 . 0 0 "[ . 1 . 2]" 1
1262 1 71 VAL MG1 1 84 GLY HA2 5.780 . 5.780 4.818 4.218 5.558 . 0 0 "[ . 1 . 2]" 1
1263 1 71 VAL MG1 1 91 TYR QE 5.030 . 5.030 4.193 3.605 4.663 . 0 0 "[ . 1 . 2]" 1
1264 1 71 VAL MG2 1 72 ALA H 4.250 . 4.250 3.876 3.740 3.996 . 0 0 "[ . 1 . 2]" 1
1265 1 71 VAL MG2 1 87 LEU QB 5.610 . 5.610 4.607 4.216 5.041 . 0 0 "[ . 1 . 2]" 1
1266 1 71 VAL MG2 1 87 LEU MD1 5.310 . 5.310 4.294 3.917 4.638 . 0 0 "[ . 1 . 2]" 1
1267 1 72 ALA H 1 72 ALA MB 3.220 . 3.220 2.248 2.205 2.270 . 0 0 "[ . 1 . 2]" 1
1268 1 72 ALA H 1 74 ARG H 4.690 . 4.690 4.219 3.950 4.535 . 0 0 "[ . 1 . 2]" 1
1269 1 72 ALA H 1 87 LEU MD1 4.710 . 4.710 3.297 2.967 3.697 . 0 0 "[ . 1 . 2]" 1
1270 1 72 ALA HA 1 75 MET QB 4.320 . 4.320 3.405 2.851 4.036 . 0 0 "[ . 1 . 2]" 1
1271 1 72 ALA HA 1 77 TYR H 5.300 . 5.300 4.205 3.955 4.454 . 0 0 "[ . 1 . 2]" 1
1272 1 72 ALA HA 1 77 TYR QD 3.650 . 3.650 3.094 2.297 3.658 0.008 13 0 "[ . 1 . 2]" 1
1273 1 72 ALA HA 1 77 TYR QE 4.260 . 4.260 3.861 3.143 4.340 0.080 8 0 "[ . 1 . 2]" 1
1274 1 72 ALA HA 1 83 VAL MG1 5.230 . 5.230 4.789 3.846 5.470 0.240 7 0 "[ . 1 . 2]" 1
1275 1 72 ALA HA 1 87 LEU MD1 3.960 . 3.960 2.504 2.218 3.160 . 0 0 "[ . 1 . 2]" 1
1276 1 72 ALA MB 1 73 ASN H 3.540 . 3.540 2.536 2.377 2.815 . 0 0 "[ . 1 . 2]" 1
1277 1 72 ALA MB 1 73 ASN HA 5.040 . 5.040 3.902 3.790 4.053 . 0 0 "[ . 1 . 2]" 1
1278 1 72 ALA MB 1 73 ASN QB 4.920 . 4.920 4.144 3.642 4.541 . 0 0 "[ . 1 . 2]" 1
1279 1 72 ALA MB 1 73 ASN QD 5.240 . 5.240 4.103 2.717 5.251 0.011 16 0 "[ . 1 . 2]" 1
1280 1 72 ALA MB 1 75 MET H 5.680 . 5.680 4.744 4.568 4.892 . 0 0 "[ . 1 . 2]" 1
1281 1 72 ALA MB 1 77 TYR H 4.470 . 4.470 3.921 3.543 4.188 . 0 0 "[ . 1 . 2]" 1
1282 1 72 ALA MB 1 77 TYR HB2 4.050 . 4.050 2.066 1.821 2.285 . 0 0 "[ . 1 . 2]" 1
1283 1 72 ALA MB 1 77 TYR HB3 4.270 . 4.270 2.768 2.526 3.034 . 0 0 "[ . 1 . 2]" 1
1284 1 72 ALA MB 1 77 TYR QD 4.010 . 4.010 2.955 2.192 3.234 . 0 0 "[ . 1 . 2]" 1
1285 1 72 ALA MB 1 77 TYR QE 4.110 . 4.110 4.156 3.864 4.320 0.210 9 0 "[ . 1 . 2]" 1
1286 1 72 ALA MB 1 83 VAL HB 4.390 . 4.390 3.233 2.360 4.619 0.229 4 0 "[ . 1 . 2]" 1
1287 1 72 ALA MB 1 83 VAL MG1 3.460 . 3.460 2.914 1.938 3.719 0.259 2 0 "[ . 1 . 2]" 1
1288 1 72 ALA MB 1 83 VAL MG2 4.370 . 4.370 3.010 1.903 4.421 0.051 8 0 "[ . 1 . 2]" 1
1289 1 72 ALA MB 1 84 GLY H 4.210 . 4.210 3.363 2.879 4.084 . 0 0 "[ . 1 . 2]" 1
1290 1 72 ALA MB 1 84 GLY HA2 4.220 . 4.220 2.548 1.994 3.311 . 0 0 "[ . 1 . 2]" 1
1291 1 72 ALA MB 1 84 GLY HA3 4.180 . 4.180 3.284 2.533 4.097 . 0 0 "[ . 1 . 2]" 1
1292 1 72 ALA MB 1 87 LEU MD1 3.720 . 3.720 2.413 2.121 2.911 . 0 0 "[ . 1 . 2]" 1
1293 1 73 ASN H 1 73 ASN QB 3.100 . 3.100 2.386 2.203 2.565 . 0 0 "[ . 1 . 2]" 1
1294 1 73 ASN H 1 73 ASN QD 4.660 . 4.660 3.262 2.065 4.409 . 0 0 "[ . 1 . 2]" 1
1295 1 73 ASN H 1 74 ARG H 3.600 . 3.600 2.734 2.636 2.808 . 0 0 "[ . 1 . 2]" 1
1296 1 73 ASN H 1 74 ARG QB 5.550 . 5.550 4.587 4.329 4.935 . 0 0 "[ . 1 . 2]" 1
1297 1 73 ASN H 1 75 MET H 4.550 . 4.550 4.301 4.099 4.620 0.070 17 0 "[ . 1 . 2]" 1
1298 1 73 ASN HA 1 73 ASN QD 4.180 . 4.180 3.340 1.919 4.302 0.122 14 0 "[ . 1 . 2]" 1
1299 1 73 ASN HA 1 75 MET H 5.030 . 5.030 4.244 3.877 4.501 . 0 0 "[ . 1 . 2]" 1
1300 1 73 ASN HA 1 76 GLN H 4.350 . 4.350 3.519 3.075 3.884 . 0 0 "[ . 1 . 2]" 1
1301 1 73 ASN HA 1 77 TYR H 3.660 . 3.660 3.267 2.750 3.689 0.029 11 0 "[ . 1 . 2]" 1
1302 1 73 ASN QB 1 74 ARG H 3.580 . 3.580 2.873 2.552 3.642 0.062 10 0 "[ . 1 . 2]" 1
1303 1 73 ASN QB 1 75 MET H 5.100 . 5.100 4.850 4.616 5.129 0.029 14 0 "[ . 1 . 2]" 1
1304 1 74 ARG H 1 75 MET H 3.610 . 3.610 2.701 2.585 2.908 . 0 0 "[ . 1 . 2]" 1
1305 1 74 ARG H 1 76 GLN H 4.730 . 4.730 4.010 3.786 4.320 . 0 0 "[ . 1 . 2]" 1
1306 1 75 MET H 1 75 MET HB2 4.080 . 4.080 2.505 2.347 2.781 . 0 0 "[ . 1 . 2]" 1
1307 1 75 MET H 1 75 MET QB 3.370 . 3.370 2.394 2.258 2.553 . 0 0 "[ . 1 . 2]" 1
1308 1 75 MET H 1 75 MET HB3 4.080 . 4.080 3.299 2.558 3.721 . 0 0 "[ . 1 . 2]" 1
1309 1 75 MET H 1 77 TYR H 4.360 . 4.360 3.829 3.448 4.406 0.046 2 0 "[ . 1 . 2]" 1
1310 1 75 MET H 1 77 TYR QD 4.800 . 4.800 3.841 3.111 4.900 0.100 3 0 "[ . 1 . 2]" 1
1311 1 75 MET HA 1 75 MET ME 5.650 . 5.650 3.107 1.777 4.584 . 0 0 "[ . 1 . 2]" 1
1312 1 75 MET HA 1 76 GLN QB 4.570 . 4.570 4.203 4.041 4.406 . 0 0 "[ . 1 . 2]" 1
1313 1 75 MET HA 1 76 GLN QG 3.970 . 3.970 3.576 3.252 3.887 . 0 0 "[ . 1 . 2]" 1
1314 1 75 MET HA 1 77 TYR H 5.490 . 5.490 4.944 4.636 5.571 0.081 15 0 "[ . 1 . 2]" 1
1315 1 75 MET HA 1 77 TYR QE 5.280 . 5.280 4.894 4.660 5.227 . 0 0 "[ . 1 . 2]" 1
1316 1 75 MET QB 1 77 TYR HB2 4.960 . 4.960 4.507 3.944 5.069 0.109 2 0 "[ . 1 . 2]" 1
1317 1 75 MET QB 1 77 TYR QD 3.860 . 3.860 2.472 1.935 3.245 . 0 0 "[ . 1 . 2]" 1
1318 1 75 MET QB 1 77 TYR QE 3.220 . 3.220 2.271 1.847 3.230 0.010 3 0 "[ . 1 . 2]" 1
1319 1 75 MET HB2 1 77 TYR QD 4.510 . 4.510 3.200 2.004 4.762 0.252 3 0 "[ . 1 . 2]" 1
1320 1 75 MET HB3 1 77 TYR QD 4.510 . 4.510 3.020 1.942 3.607 . 0 0 "[ . 1 . 2]" 1
1321 1 75 MET ME 1 77 TYR QE 5.650 . 5.650 4.266 2.311 5.380 . 0 0 "[ . 1 . 2]" 1
1322 1 76 GLN H 1 76 GLN HA 3.060 . 3.060 2.255 2.237 2.269 . 0 0 "[ . 1 . 2]" 1
1323 1 76 GLN H 1 76 GLN QG 3.660 . 3.660 2.829 2.552 3.052 . 0 0 "[ . 1 . 2]" 1
1324 1 76 GLN HA 1 76 GLN QE 5.210 . 5.210 4.378 2.613 4.957 . 0 0 "[ . 1 . 2]" 1
1325 1 76 GLN HA 1 76 GLN QG 3.530 . 3.530 2.553 2.413 3.059 . 0 0 "[ . 1 . 2]" 1
1326 1 76 GLN HA 1 77 TYR H 3.500 . 3.500 2.854 2.448 3.068 . 0 0 "[ . 1 . 2]" 1
1327 1 76 GLN QB 1 77 TYR H 4.260 . 4.260 3.873 3.760 3.949 . 0 0 "[ . 1 . 2]" 1
1328 1 77 TYR H 1 77 TYR HB2 3.460 . 3.460 2.327 2.196 2.432 . 0 0 "[ . 1 . 2]" 1
1329 1 77 TYR H 1 77 TYR QD 3.840 . 3.840 2.365 1.941 2.716 . 0 0 "[ . 1 . 2]" 1
1330 1 77 TYR H 1 78 PRO HD2 5.780 . 5.780 4.987 4.773 5.333 . 0 0 "[ . 1 . 2]" 1
1331 1 77 TYR H 1 83 VAL MG1 5.780 . 5.780 5.219 4.698 5.792 0.012 6 0 "[ . 1 . 2]" 1
1332 1 77 TYR HA 1 77 TYR QD 4.150 . 4.150 2.931 2.389 3.253 . 0 0 "[ . 1 . 2]" 1
1333 1 77 TYR HA 1 77 TYR QE 4.760 . 4.760 4.646 4.400 4.876 0.116 1 0 "[ . 1 . 2]" 1
1334 1 77 TYR HA 1 78 PRO HD2 3.640 . 3.640 2.577 2.350 3.037 . 0 0 "[ . 1 . 2]" 1
1335 1 77 TYR HA 1 78 PRO HD3 3.510 . 3.510 2.501 2.092 2.884 . 0 0 "[ . 1 . 2]" 1
1336 1 77 TYR HA 1 83 VAL MG1 5.170 . 5.170 4.158 3.543 4.501 . 0 0 "[ . 1 . 2]" 1
1337 1 77 TYR HB2 1 78 PRO HD2 4.700 . 4.700 3.920 3.573 4.258 . 0 0 "[ . 1 . 2]" 1
1338 1 77 TYR HB2 1 83 VAL MG1 4.550 . 4.550 3.437 2.833 4.092 . 0 0 "[ . 1 . 2]" 1
1339 1 77 TYR HB2 1 83 VAL MG2 5.160 . 5.160 3.764 2.455 5.225 0.065 8 0 "[ . 1 . 2]" 1
1340 1 77 TYR HB3 1 78 PRO HD2 4.140 . 4.140 2.344 1.965 2.689 . 0 0 "[ . 1 . 2]" 1
1341 1 77 TYR HB3 1 78 PRO HD3 4.470 . 4.470 3.670 3.288 3.934 . 0 0 "[ . 1 . 2]" 1
1342 1 77 TYR HB3 1 83 VAL MG1 4.450 . 4.450 2.193 1.818 2.643 . 0 0 "[ . 1 . 2]" 1
1343 1 77 TYR HB3 1 83 VAL MG2 4.070 . 4.070 2.815 1.890 3.952 . 0 0 "[ . 1 . 2]" 1
1344 1 77 TYR QD 1 78 PRO HD2 4.480 . 4.480 3.131 2.222 3.885 . 0 0 "[ . 1 . 2]" 1
1345 1 77 TYR QD 1 78 PRO HD3 4.620 . 4.620 4.283 3.430 4.791 0.171 3 0 "[ . 1 . 2]" 1
1346 1 77 TYR QD 1 78 PRO QG 5.780 . 5.780 4.476 3.741 5.318 . 0 0 "[ . 1 . 2]" 1
1347 1 77 TYR QD 1 83 VAL MG1 3.750 . 3.750 2.112 1.745 2.537 . 0 0 "[ . 1 . 2]" 1
1348 1 77 TYR QD 1 83 VAL MG2 4.360 . 4.360 3.214 1.928 4.381 0.021 19 0 "[ . 1 . 2]" 1
1349 1 77 TYR QD 1 87 LEU MD1 4.340 . 4.340 3.443 2.747 4.021 . 0 0 "[ . 1 . 2]" 1
1350 1 77 TYR QE 1 83 VAL HA 5.780 . 5.780 5.151 4.272 5.953 0.173 9 0 "[ . 1 . 2]" 1
1351 1 77 TYR QE 1 83 VAL MG1 3.920 . 3.920 3.610 3.045 4.074 0.154 4 0 "[ . 1 . 2]" 1
1352 1 77 TYR QE 1 87 LEU MD1 3.320 . 3.320 2.908 2.097 3.373 0.053 17 0 "[ . 1 . 2]" 1
1353 1 77 TYR QE 1 87 LEU MD2 3.790 . 3.790 2.537 1.818 3.087 . 0 0 "[ . 1 . 2]" 1
1354 1 77 TYR QE 1 87 LEU HG 5.020 . 5.020 3.722 2.764 4.421 . 0 0 "[ . 1 . 2]" 1
1355 1 78 PRO QB 1 83 VAL MG2 4.590 . 4.590 4.027 1.847 4.911 0.321 7 0 "[ . 1 . 2]" 1
1356 1 78 PRO HD2 1 83 VAL MG1 5.250 . 5.250 2.687 1.896 3.638 . 0 0 "[ . 1 . 2]" 1
1357 1 78 PRO HD2 1 83 VAL MG2 3.840 . 3.840 3.352 1.765 3.808 . 0 0 "[ . 1 . 2]" 1
1358 1 78 PRO HD3 1 83 VAL MG2 5.050 . 5.050 4.755 3.346 5.177 0.127 6 0 "[ . 1 . 2]" 1
1359 1 78 PRO QG 1 83 VAL MG2 4.010 . 4.010 3.349 1.808 4.034 0.024 1 0 "[ . 1 . 2]" 1
1360 1 79 SER HA 1 83 VAL MG2 5.230 . 5.230 4.505 3.722 5.412 0.182 13 0 "[ . 1 . 2]" 1
1361 1 81 LYS HA 1 81 LYS QD 3.630 . 3.630 2.989 2.084 4.216 0.586 5 1 "[ + 1 . 2]" 1
1362 1 82 SER H 1 85 ALA H 5.550 . 5.550 4.873 4.486 5.178 . 0 0 "[ . 1 . 2]" 1
1363 1 82 SER HA 1 84 GLY H 5.720 . 5.720 4.467 3.921 4.849 . 0 0 "[ . 1 . 2]" 1
1364 1 82 SER HA 1 85 ALA H 4.290 . 4.290 3.561 2.733 4.093 . 0 0 "[ . 1 . 2]" 1
1365 1 82 SER QB 1 83 VAL H 3.990 . 3.990 2.838 2.338 3.392 . 0 0 "[ . 1 . 2]" 1
1366 1 82 SER QB 1 83 VAL HA 4.330 . 4.330 4.103 3.638 4.395 0.065 1 0 "[ . 1 . 2]" 1
1367 1 82 SER QB 1 83 VAL MG2 4.630 . 4.630 4.066 3.071 4.695 0.065 12 0 "[ . 1 . 2]" 1
1368 1 82 SER QB 1 84 GLY H 5.780 . 5.780 4.930 4.577 5.394 . 0 0 "[ . 1 . 2]" 1
1369 1 82 SER QB 1 85 ALA MB 4.500 . 4.500 4.127 2.912 4.534 0.034 9 0 "[ . 1 . 2]" 1
1370 1 83 VAL H 1 83 VAL HB 3.850 . 3.850 3.036 2.227 3.671 . 0 0 "[ . 1 . 2]" 1
1371 1 83 VAL H 1 83 VAL MG1 4.290 . 4.290 2.928 2.382 3.828 . 0 0 "[ . 1 . 2]" 1
1372 1 83 VAL H 1 83 VAL MG2 3.560 . 3.560 2.327 1.811 3.765 0.205 4 0 "[ . 1 . 2]" 1
1373 1 83 VAL H 1 84 GLY H 3.920 . 3.920 2.786 2.636 2.907 . 0 0 "[ . 1 . 2]" 1
1374 1 83 VAL H 1 85 ALA H 4.510 . 4.510 4.257 3.846 4.566 0.056 11 0 "[ . 1 . 2]" 1
1375 1 83 VAL HA 1 83 VAL MG1 3.650 . 3.650 2.545 2.274 3.257 . 0 0 "[ . 1 . 2]" 1
1376 1 83 VAL HA 1 83 VAL MG2 3.630 . 3.630 2.807 2.235 3.268 . 0 0 "[ . 1 . 2]" 1
1377 1 83 VAL HA 1 86 THR HB 4.190 . 4.190 2.826 2.209 3.527 . 0 0 "[ . 1 . 2]" 1
1378 1 83 VAL HB 1 84 GLY H 4.280 . 4.280 3.333 2.519 4.024 . 0 0 "[ . 1 . 2]" 1
1379 1 83 VAL MG1 1 84 GLY H 4.450 . 4.450 3.584 2.294 4.270 . 0 0 "[ . 1 . 2]" 1
1380 1 83 VAL MG1 1 86 THR H 5.780 . 5.780 5.038 4.523 5.429 . 0 0 "[ . 1 . 2]" 1
1381 1 83 VAL MG1 1 87 LEU MD1 4.640 . 4.640 4.078 2.706 4.831 0.191 5 0 "[ . 1 . 2]" 1
1382 1 83 VAL MG2 1 84 GLY H 5.010 . 5.010 3.072 1.990 4.247 . 0 0 "[ . 1 . 2]" 1
1383 1 84 GLY H 1 85 ALA H 3.890 . 3.890 2.682 2.347 2.828 . 0 0 "[ . 1 . 2]" 1
1384 1 84 GLY H 1 86 THR HB 5.780 . 5.780 5.143 4.872 5.422 . 0 0 "[ . 1 . 2]" 1
1385 1 84 GLY HA2 1 85 ALA MB 5.580 . 5.580 5.080 5.047 5.108 . 0 0 "[ . 1 . 2]" 1
1386 1 84 GLY HA2 1 86 THR H 5.780 . 5.780 4.291 4.084 4.409 . 0 0 "[ . 1 . 2]" 1
1387 1 84 GLY HA2 1 87 LEU H 4.830 . 4.830 3.560 3.237 3.759 . 0 0 "[ . 1 . 2]" 1
1388 1 84 GLY HA2 1 87 LEU QB 5.610 . 5.610 3.042 2.747 3.329 . 0 0 "[ . 1 . 2]" 1
1389 1 84 GLY HA2 1 87 LEU MD1 4.670 . 4.670 2.751 2.221 3.074 . 0 0 "[ . 1 . 2]" 1
1390 1 84 GLY HA2 1 87 LEU MD2 5.780 . 5.780 4.815 4.318 5.133 . 0 0 "[ . 1 . 2]" 1
1391 1 84 GLY HA3 1 87 LEU MD1 4.900 . 4.900 4.239 3.677 4.611 . 0 0 "[ . 1 . 2]" 1
1392 1 84 GLY HA3 1 88 LYS H 5.780 . 5.780 5.046 4.829 5.200 . 0 0 "[ . 1 . 2]" 1
1393 1 85 ALA H 1 85 ALA MB 3.070 . 3.070 2.258 2.223 2.290 . 0 0 "[ . 1 . 2]" 1
1394 1 85 ALA H 1 87 LEU H 5.780 . 5.780 4.293 4.131 4.444 . 0 0 "[ . 1 . 2]" 1
1395 1 85 ALA H 1 87 LEU MD1 5.780 . 5.780 5.676 5.293 5.865 0.085 17 0 "[ . 1 . 2]" 1
1396 1 85 ALA H 1 88 LYS H 5.460 . 5.460 4.735 4.597 4.841 . 0 0 "[ . 1 . 2]" 1
1397 1 85 ALA HA 1 88 LYS H 4.370 . 4.370 3.354 3.029 3.586 . 0 0 "[ . 1 . 2]" 1
1398 1 85 ALA HA 1 88 LYS HB2 4.270 . 4.270 3.016 2.665 3.359 . 0 0 "[ . 1 . 2]" 1
1399 1 85 ALA HA 1 88 LYS HB3 3.890 . 3.890 2.393 2.108 2.717 . 0 0 "[ . 1 . 2]" 1
1400 1 85 ALA HA 1 88 LYS QD 4.180 . 4.180 3.419 2.959 3.935 . 0 0 "[ . 1 . 2]" 1
1401 1 85 ALA HA 1 89 ALA H 5.030 . 5.030 3.982 3.687 4.221 . 0 0 "[ . 1 . 2]" 1
1402 1 85 ALA MB 1 86 THR H 3.500 . 3.500 2.791 2.687 2.890 . 0 0 "[ . 1 . 2]" 1
1403 1 85 ALA MB 1 86 THR HA 4.980 . 4.980 4.054 3.977 4.168 . 0 0 "[ . 1 . 2]" 1
1404 1 85 ALA MB 1 88 LYS H 5.190 . 5.190 4.629 4.431 4.796 . 0 0 "[ . 1 . 2]" 1
1405 1 85 ALA MB 1 88 LYS HB3 4.080 . 4.080 3.720 3.418 4.041 . 0 0 "[ . 1 . 2]" 1
1406 1 85 ALA MB 1 89 ALA H 5.110 . 5.110 4.492 4.254 4.673 . 0 0 "[ . 1 . 2]" 1
1407 1 86 THR H 1 86 THR HB 3.230 . 3.230 2.579 2.517 2.717 . 0 0 "[ . 1 . 2]" 1
1408 1 86 THR H 1 86 THR MG 4.040 . 4.040 3.829 3.815 3.856 . 0 0 "[ . 1 . 2]" 1
1409 1 86 THR H 1 87 LEU H 3.320 . 3.320 2.696 2.607 2.786 . 0 0 "[ . 1 . 2]" 1
1410 1 86 THR H 1 87 LEU MD1 5.570 . 5.570 5.435 5.232 5.569 . 0 0 "[ . 1 . 2]" 1
1411 1 86 THR H 1 89 ALA H 5.650 . 5.650 4.686 4.424 4.848 . 0 0 "[ . 1 . 2]" 1
1412 1 86 THR H 1 89 ALA MB 5.780 . 5.780 4.749 4.414 4.922 . 0 0 "[ . 1 . 2]" 1
1413 1 86 THR HA 1 86 THR MG 3.290 . 3.290 2.467 2.343 2.534 . 0 0 "[ . 1 . 2]" 1
1414 1 86 THR HA 1 88 LYS H 5.780 . 5.780 4.559 4.403 4.741 . 0 0 "[ . 1 . 2]" 1
1415 1 86 THR HA 1 89 ALA H 4.350 . 4.350 3.554 2.877 3.970 . 0 0 "[ . 1 . 2]" 1
1416 1 86 THR HA 1 89 ALA MB 4.180 . 4.180 2.747 2.101 3.157 . 0 0 "[ . 1 . 2]" 1
1417 1 86 THR HA 1 90 HIS H 4.820 . 4.820 4.313 4.029 4.460 . 0 0 "[ . 1 . 2]" 1
1418 1 86 THR HB 1 87 LEU H 3.850 . 3.850 2.584 2.479 2.931 . 0 0 "[ . 1 . 2]" 1
1419 1 86 THR MG 1 87 LEU H 4.240 . 4.240 3.487 3.274 3.860 . 0 0 "[ . 1 . 2]" 1
1420 1 86 THR MG 1 87 LEU HA 4.280 . 4.280 3.684 3.452 4.113 . 0 0 "[ . 1 . 2]" 1
1421 1 86 THR MG 1 87 LEU QB 5.320 . 5.320 4.861 4.621 5.298 . 0 0 "[ . 1 . 2]" 1
1422 1 86 THR MG 1 87 LEU HG 5.780 . 5.780 4.188 3.818 4.878 . 0 0 "[ . 1 . 2]" 1
1423 1 86 THR MG 1 90 HIS HB2 5.650 . 5.650 4.657 3.438 5.149 . 0 0 "[ . 1 . 2]" 1
1424 1 86 THR MG 1 90 HIS QB 4.950 . 4.950 4.409 3.306 4.778 . 0 0 "[ . 1 . 2]" 1
1425 1 86 THR MG 1 90 HIS HB3 5.650 . 5.650 5.468 4.291 5.785 0.135 16 0 "[ . 1 . 2]" 1
1426 1 87 LEU H 1 87 LEU QB 3.720 . 3.720 2.487 2.411 2.549 . 0 0 "[ . 1 . 2]" 1
1427 1 87 LEU H 1 87 LEU MD1 3.900 . 3.900 3.695 3.583 3.797 . 0 0 "[ . 1 . 2]" 1
1428 1 87 LEU H 1 87 LEU MD2 3.980 . 3.980 3.240 3.029 3.449 . 0 0 "[ . 1 . 2]" 1
1429 1 87 LEU H 1 87 LEU HG 3.390 . 3.390 2.305 2.207 2.527 . 0 0 "[ . 1 . 2]" 1
1430 1 87 LEU H 1 88 LYS H 3.790 . 3.790 2.684 2.560 2.774 . 0 0 "[ . 1 . 2]" 1
1431 1 87 LEU H 1 89 ALA H 4.880 . 4.880 4.256 4.017 4.503 . 0 0 "[ . 1 . 2]" 1
1432 1 87 LEU HA 1 87 LEU MD2 3.220 . 3.220 2.075 1.965 2.147 . 0 0 "[ . 1 . 2]" 1
1433 1 87 LEU HA 1 88 LYS HA 5.250 . 5.250 4.931 4.893 4.968 . 0 0 "[ . 1 . 2]" 1
1434 1 87 LEU HA 1 89 ALA H 5.020 . 5.020 4.575 4.426 4.896 . 0 0 "[ . 1 . 2]" 1
1435 1 87 LEU HA 1 90 HIS H 3.850 . 3.850 3.511 3.317 3.737 . 0 0 "[ . 1 . 2]" 1
1436 1 87 LEU HA 1 90 HIS QB 4.360 . 4.360 2.756 2.347 3.023 . 0 0 "[ . 1 . 2]" 1
1437 1 87 LEU HA 1 91 TYR H 5.500 . 5.500 4.329 3.959 4.587 . 0 0 "[ . 1 . 2]" 1
1438 1 87 LEU QB 1 90 HIS QB 5.020 . 5.020 4.213 3.772 4.439 . 0 0 "[ . 1 . 2]" 1
1439 1 87 LEU QB 1 91 TYR QE 4.560 . 4.560 3.485 2.999 3.905 . 0 0 "[ . 1 . 2]" 1
1440 1 87 LEU HB2 1 88 LYS H 4.280 . 4.280 2.601 2.461 2.792 . 0 0 "[ . 1 . 2]" 1
1441 1 87 LEU HB2 1 91 TYR QE 5.400 . 5.400 5.176 4.672 5.508 0.108 8 0 "[ . 1 . 2]" 1
1442 1 87 LEU HB3 1 88 LYS H 4.280 . 4.280 3.651 3.524 3.869 . 0 0 "[ . 1 . 2]" 1
1443 1 87 LEU HB3 1 91 TYR QE 5.400 . 5.400 3.544 3.035 3.994 . 0 0 "[ . 1 . 2]" 1
1444 1 87 LEU MD1 1 88 LYS H 5.080 . 5.080 4.562 4.342 4.711 . 0 0 "[ . 1 . 2]" 1
1445 1 87 LEU MD1 1 90 HIS QB 5.610 . 5.610 5.649 5.341 5.758 0.148 9 0 "[ . 1 . 2]" 1
1446 1 87 LEU MD2 1 90 HIS HB2 5.530 . 5.530 3.998 3.690 4.491 . 0 0 "[ . 1 . 2]" 1
1447 1 87 LEU MD2 1 90 HIS QB 4.680 . 4.680 3.778 3.549 4.016 . 0 0 "[ . 1 . 2]" 1
1448 1 87 LEU MD2 1 90 HIS HB3 5.530 . 5.530 4.798 3.881 5.203 . 0 0 "[ . 1 . 2]" 1
1449 1 87 LEU MD2 1 91 TYR H 5.780 . 5.780 5.559 5.251 5.779 . 0 0 "[ . 1 . 2]" 1
1450 1 87 LEU MD2 1 91 TYR QD 4.780 . 4.780 4.522 4.117 4.885 0.105 9 0 "[ . 1 . 2]" 1
1451 1 87 LEU MD2 1 91 TYR QE 5.600 . 5.600 3.955 3.408 4.588 . 0 0 "[ . 1 . 2]" 1
1452 1 87 LEU HG 1 88 LYS H 4.900 . 4.900 4.338 4.205 4.550 . 0 0 "[ . 1 . 2]" 1
1453 1 88 LYS H 1 88 LYS HB2 3.600 . 3.600 2.532 2.476 2.597 . 0 0 "[ . 1 . 2]" 1
1454 1 88 LYS H 1 88 LYS HB3 3.530 . 3.530 2.542 2.455 2.626 . 0 0 "[ . 1 . 2]" 1
1455 1 88 LYS H 1 88 LYS QD 4.430 . 4.430 4.431 4.295 4.560 0.130 16 0 "[ . 1 . 2]" 1
1456 1 88 LYS H 1 88 LYS HG2 5.110 . 5.110 4.482 4.461 4.509 . 0 0 "[ . 1 . 2]" 1
1457 1 88 LYS H 1 88 LYS HG3 4.980 . 4.980 4.581 4.505 4.647 . 0 0 "[ . 1 . 2]" 1
1458 1 88 LYS H 1 89 ALA H 3.730 . 3.730 2.840 2.767 2.898 . 0 0 "[ . 1 . 2]" 1
1459 1 88 LYS H 1 89 ALA MB 5.780 . 5.780 4.456 4.371 4.513 . 0 0 "[ . 1 . 2]" 1
1460 1 88 LYS H 1 90 HIS H 5.290 . 5.290 4.255 3.966 4.463 . 0 0 "[ . 1 . 2]" 1
1461 1 88 LYS H 1 91 TYR QD 5.780 . 5.780 4.837 4.489 5.183 . 0 0 "[ . 1 . 2]" 1
1462 1 88 LYS HA 1 88 LYS QD 4.700 . 4.700 3.957 3.736 4.186 . 0 0 "[ . 1 . 2]" 1
1463 1 88 LYS HA 1 88 LYS HG3 4.140 . 4.140 3.212 2.723 3.603 . 0 0 "[ . 1 . 2]" 1
1464 1 88 LYS HA 1 90 HIS H 5.070 . 5.070 4.538 4.294 4.725 . 0 0 "[ . 1 . 2]" 1
1465 1 88 LYS HA 1 91 TYR H 4.740 . 4.740 3.690 3.591 3.868 . 0 0 "[ . 1 . 2]" 1
1466 1 88 LYS HA 1 91 TYR HB2 4.610 . 4.610 2.943 2.566 3.190 . 0 0 "[ . 1 . 2]" 1
1467 1 88 LYS HA 1 91 TYR HB3 5.280 . 5.280 4.472 4.054 4.764 . 0 0 "[ . 1 . 2]" 1
1468 1 88 LYS HA 1 91 TYR QD 5.280 . 5.280 3.748 3.105 4.063 . 0 0 "[ . 1 . 2]" 1
1469 1 88 LYS HA 1 92 GLU H 5.470 . 5.470 4.265 4.153 4.440 . 0 0 "[ . 1 . 2]" 1
1470 1 88 LYS HB2 1 89 ALA H 4.180 . 4.180 3.780 3.725 3.845 . 0 0 "[ . 1 . 2]" 1
1471 1 88 LYS HB2 1 89 ALA MB 5.550 . 5.550 5.231 5.175 5.306 . 0 0 "[ . 1 . 2]" 1
1472 1 88 LYS HB3 1 88 LYS QE 4.470 . 4.470 3.993 3.918 4.062 . 0 0 "[ . 1 . 2]" 1
1473 1 88 LYS HB3 1 89 ALA H 3.720 . 3.720 2.400 2.326 2.501 . 0 0 "[ . 1 . 2]" 1
1474 1 88 LYS HB3 1 89 ALA MB 4.280 . 4.280 3.826 3.753 3.919 . 0 0 "[ . 1 . 2]" 1
1475 1 88 LYS QE 1 88 LYS HG3 3.870 . 3.870 2.525 2.461 2.615 . 0 0 "[ . 1 . 2]" 1
1476 1 88 LYS QE 1 89 ALA MB 5.610 . 5.610 4.996 4.803 5.276 . 0 0 "[ . 1 . 2]" 1
1477 1 88 LYS QE 1 92 GLU HB2 4.090 . 4.090 4.250 4.109 4.355 0.265 12 0 "[ . 1 . 2]" 1
1478 1 88 LYS QE 1 92 GLU HG2 4.140 . 4.140 3.065 2.505 3.716 . 0 0 "[ . 1 . 2]" 1
1479 1 88 LYS QE 1 92 GLU HG3 4.210 . 4.210 2.194 2.004 2.710 . 0 0 "[ . 1 . 2]" 1
1480 1 88 LYS HG2 1 89 ALA H 4.700 . 4.700 3.933 3.414 4.332 . 0 0 "[ . 1 . 2]" 1
1481 1 88 LYS HG2 1 89 ALA MB 5.070 . 5.070 4.842 4.143 5.249 0.179 10 0 "[ . 1 . 2]" 1
1482 1 88 LYS HG2 1 92 GLU HB2 5.110 . 5.110 4.412 3.374 5.156 0.046 2 0 "[ . 1 . 2]" 1
1483 1 88 LYS HG3 1 89 ALA H 5.200 . 5.200 4.753 4.569 4.948 . 0 0 "[ . 1 . 2]" 1
1484 1 88 LYS HG3 1 89 ALA MB 5.780 . 5.780 5.672 5.496 5.829 0.049 11 0 "[ . 1 . 2]" 1
1485 1 89 ALA H 1 89 ALA MB 3.080 . 3.080 2.232 2.208 2.249 . 0 0 "[ . 1 . 2]" 1
1486 1 89 ALA H 1 90 HIS H 3.580 . 3.580 2.790 2.685 2.945 . 0 0 "[ . 1 . 2]" 1
1487 1 89 ALA H 1 91 TYR H 4.920 . 4.920 4.383 4.261 4.551 . 0 0 "[ . 1 . 2]" 1
1488 1 89 ALA H 1 92 GLU H 5.390 . 5.390 4.779 4.657 4.907 . 0 0 "[ . 1 . 2]" 1
1489 1 89 ALA HA 1 91 TYR H 5.520 . 5.520 4.588 4.336 4.823 . 0 0 "[ . 1 . 2]" 1
1490 1 89 ALA HA 1 92 GLU H 4.120 . 4.120 3.489 3.272 3.699 . 0 0 "[ . 1 . 2]" 1
1491 1 89 ALA HA 1 92 GLU HB2 3.630 . 3.630 2.466 2.140 2.635 . 0 0 "[ . 1 . 2]" 1
1492 1 89 ALA HA 1 92 GLU HB3 4.230 . 4.230 3.989 3.665 4.206 . 0 0 "[ . 1 . 2]" 1
1493 1 89 ALA HA 1 92 GLU HG2 5.550 . 5.550 4.015 3.207 4.976 . 0 0 "[ . 1 . 2]" 1
1494 1 89 ALA HA 1 92 GLU HG3 4.540 . 4.540 3.313 2.932 3.940 . 0 0 "[ . 1 . 2]" 1
1495 1 89 ALA HA 1 93 ARG H 5.250 . 5.250 4.087 3.763 4.553 . 0 0 "[ . 1 . 2]" 1
1496 1 89 ALA HA 1 93 ARG HG2 5.070 . 5.070 4.603 4.267 5.192 0.122 2 0 "[ . 1 . 2]" 1
1497 1 89 ALA HA 1 93 ARG HG3 5.780 . 5.780 5.706 4.446 6.006 0.226 4 0 "[ . 1 . 2]" 1
1498 1 89 ALA MB 1 90 HIS H 3.200 . 3.200 2.614 2.455 2.855 . 0 0 "[ . 1 . 2]" 1
1499 1 89 ALA MB 1 90 HIS HA 5.050 . 5.050 3.983 3.889 4.064 . 0 0 "[ . 1 . 2]" 1
1500 1 89 ALA MB 1 90 HIS HB2 5.780 . 5.780 4.632 4.033 4.886 . 0 0 "[ . 1 . 2]" 1
1501 1 89 ALA MB 1 90 HIS HB3 5.780 . 5.780 5.406 4.744 5.635 . 0 0 "[ . 1 . 2]" 1
1502 1 89 ALA MB 1 91 TYR H 4.730 . 4.730 4.726 4.558 4.829 0.099 19 0 "[ . 1 . 2]" 1
1503 1 89 ALA MB 1 92 GLU H 4.910 . 4.910 4.675 4.526 4.836 . 0 0 "[ . 1 . 2]" 1
1504 1 89 ALA MB 1 92 GLU HB2 4.480 . 4.480 4.010 3.706 4.197 . 0 0 "[ . 1 . 2]" 1
1505 1 89 ALA MB 1 92 GLU HB3 5.240 . 5.240 5.187 4.850 5.329 0.089 13 0 "[ . 1 . 2]" 1
1506 1 89 ALA MB 1 93 ARG QD 5.320 . 5.320 4.768 3.836 5.291 . 0 0 "[ . 1 . 2]" 1
1507 1 89 ALA MB 1 93 ARG HG3 5.540 . 5.540 5.292 4.153 5.658 0.118 7 0 "[ . 1 . 2]" 1
1508 1 90 HIS H 1 90 HIS HB2 3.950 . 3.950 2.476 2.299 2.627 . 0 0 "[ . 1 . 2]" 1
1509 1 90 HIS H 1 90 HIS HB3 3.950 . 3.950 3.535 2.582 3.674 . 0 0 "[ . 1 . 2]" 1
1510 1 90 HIS H 1 91 TYR H 3.510 . 3.510 2.811 2.599 2.927 . 0 0 "[ . 1 . 2]" 1
1511 1 90 HIS H 1 91 TYR QD 5.780 . 5.780 4.512 4.219 4.838 . 0 0 "[ . 1 . 2]" 1
1512 1 90 HIS H 1 93 ARG QD 5.660 . 5.660 5.053 4.549 5.257 . 0 0 "[ . 1 . 2]" 1
1513 1 90 HIS HA 1 93 ARG QB 4.790 . 4.790 4.412 3.583 4.832 0.042 6 0 "[ . 1 . 2]" 1
1514 1 90 HIS HA 1 93 ARG QD 3.500 . 3.500 2.606 2.381 2.768 . 0 0 "[ . 1 . 2]" 1
1515 1 90 HIS HA 1 93 ARG HG2 5.080 . 5.080 2.681 2.227 4.132 . 0 0 "[ . 1 . 2]" 1
1516 1 90 HIS HA 1 93 ARG HG3 4.260 . 4.260 2.942 2.589 3.519 . 0 0 "[ . 1 . 2]" 1
1517 1 90 HIS HA 1 94 ILE H 5.430 . 5.430 4.628 4.158 5.030 . 0 0 "[ . 1 . 2]" 1
1518 1 90 HIS HA 1 94 ILE MD 4.210 . 4.210 3.259 2.531 3.794 . 0 0 "[ . 1 . 2]" 1
1519 1 90 HIS QB 1 91 TYR H 4.010 . 4.010 2.568 2.393 2.780 . 0 0 "[ . 1 . 2]" 1
1520 1 90 HIS QB 1 93 ARG QD 4.020 . 4.020 4.134 3.956 4.259 0.239 18 0 "[ . 1 . 2]" 1
1521 1 90 HIS QB 1 94 ILE MD 4.450 . 4.450 2.817 2.179 4.359 . 0 0 "[ . 1 . 2]" 1
1522 1 90 HIS HB2 1 91 TYR H 4.590 . 4.590 2.764 2.435 3.976 . 0 0 "[ . 1 . 2]" 1
1523 1 90 HIS HB2 1 94 ILE MD 5.120 . 5.120 4.183 3.647 5.026 . 0 0 "[ . 1 . 2]" 1
1524 1 90 HIS HB3 1 91 TYR H 4.590 . 4.590 3.404 2.712 3.659 . 0 0 "[ . 1 . 2]" 1
1525 1 90 HIS HB3 1 94 ILE MD 5.120 . 5.120 2.892 2.195 4.781 . 0 0 "[ . 1 . 2]" 1
1526 1 91 TYR H 1 91 TYR HB2 3.720 . 3.720 2.267 2.184 2.335 . 0 0 "[ . 1 . 2]" 1
1527 1 91 TYR H 1 91 TYR HB3 3.750 . 3.750 3.555 3.496 3.596 . 0 0 "[ . 1 . 2]" 1
1528 1 91 TYR H 1 91 TYR QD 4.400 . 4.400 2.528 2.208 2.835 . 0 0 "[ . 1 . 2]" 1
1529 1 91 TYR H 1 92 GLU H 3.760 . 3.760 2.706 2.569 2.845 . 0 0 "[ . 1 . 2]" 1
1530 1 91 TYR H 1 94 ILE MD 5.780 . 5.780 4.568 4.171 5.043 . 0 0 "[ . 1 . 2]" 1
1531 1 91 TYR HA 1 91 TYR QD 3.870 . 3.870 3.037 2.860 3.097 . 0 0 "[ . 1 . 2]" 1
1532 1 91 TYR HA 1 94 ILE H 4.960 . 4.960 3.683 3.175 4.051 . 0 0 "[ . 1 . 2]" 1
1533 1 91 TYR HA 1 94 ILE MD 5.170 . 5.170 3.799 3.444 4.325 . 0 0 "[ . 1 . 2]" 1
1534 1 91 TYR HA 1 95 LEU H 4.370 . 4.370 3.684 2.919 4.323 . 0 0 "[ . 1 . 2]" 1
1535 1 91 TYR HA 1 95 LEU HB2 4.650 . 4.650 3.806 3.060 4.225 . 0 0 "[ . 1 . 2]" 1
1536 1 91 TYR HA 1 95 LEU HB3 5.570 . 5.570 4.687 3.610 5.362 . 0 0 "[ . 1 . 2]" 1
1537 1 91 TYR HB2 1 92 GLU H 3.940 . 3.940 2.933 2.675 3.164 . 0 0 "[ . 1 . 2]" 1
1538 1 91 TYR HB2 1 95 LEU HB2 5.780 . 5.780 5.450 4.922 5.840 0.060 16 0 "[ . 1 . 2]" 1
1539 1 91 TYR HB3 1 92 GLU H 4.270 . 4.270 3.441 2.824 3.763 . 0 0 "[ . 1 . 2]" 1
1540 1 91 TYR HB3 1 92 GLU HA 5.210 . 5.210 4.200 3.895 4.432 . 0 0 "[ . 1 . 2]" 1
1541 1 91 TYR HB3 1 92 GLU HB2 5.440 . 5.440 5.522 5.052 5.673 0.233 16 0 "[ . 1 . 2]" 1
1542 1 91 TYR HB3 1 95 LEU HB2 4.740 . 4.740 3.906 3.333 4.304 . 0 0 "[ . 1 . 2]" 1
1543 1 91 TYR QD 1 92 GLU H 5.080 . 5.080 4.562 4.382 4.697 . 0 0 "[ . 1 . 2]" 1
1544 1 91 TYR QD 1 95 LEU HB2 3.940 . 3.940 3.627 2.777 4.105 0.165 3 0 "[ . 1 . 2]" 1
1545 1 92 GLU H 1 92 GLU HB2 3.970 . 3.970 2.297 2.206 2.424 . 0 0 "[ . 1 . 2]" 1
1546 1 92 GLU H 1 92 GLU HB3 3.800 . 3.800 3.552 3.518 3.613 . 0 0 "[ . 1 . 2]" 1
1547 1 92 GLU H 1 92 GLU HG2 3.660 . 3.660 2.682 2.378 3.453 . 0 0 "[ . 1 . 2]" 1
1548 1 92 GLU H 1 92 GLU HG3 4.350 . 4.350 3.552 2.693 4.000 . 0 0 "[ . 1 . 2]" 1
1549 1 92 GLU H 1 93 ARG H 3.540 . 3.540 2.824 2.553 3.015 . 0 0 "[ . 1 . 2]" 1
1550 1 92 GLU H 1 93 ARG QB 5.600 . 5.600 5.215 4.978 5.415 . 0 0 "[ . 1 . 2]" 1
1551 1 92 GLU H 1 94 ILE H 5.040 . 5.040 4.092 3.785 4.804 . 0 0 "[ . 1 . 2]" 1
1552 1 92 GLU HA 1 92 GLU HG2 4.210 . 4.210 2.725 2.335 2.985 . 0 0 "[ . 1 . 2]" 1
1553 1 92 GLU HA 1 92 GLU HG3 3.940 . 3.940 3.704 3.329 3.795 . 0 0 "[ . 1 . 2]" 1
1554 1 92 GLU HA 1 93 ARG HG3 5.750 . 5.750 5.795 5.401 5.935 0.185 15 0 "[ . 1 . 2]" 1
1555 1 92 GLU HB2 1 93 ARG H 3.460 . 3.460 2.704 2.439 3.203 . 0 0 "[ . 1 . 2]" 1
1556 1 92 GLU HB3 1 93 ARG H 3.810 . 3.810 3.395 3.068 3.846 0.036 8 0 "[ . 1 . 2]" 1
1557 1 92 GLU HB3 1 93 ARG HG2 5.780 . 5.780 5.371 4.862 5.884 0.104 10 0 "[ . 1 . 2]" 1
1558 1 92 GLU HG2 1 93 ARG H 5.660 . 5.660 4.715 4.457 5.090 . 0 0 "[ . 1 . 2]" 1
1559 1 92 GLU HG3 1 93 ARG H 5.380 . 5.380 4.946 4.658 5.455 0.075 18 0 "[ . 1 . 2]" 1
1560 1 93 ARG H 1 93 ARG QB 3.640 . 3.640 2.724 2.615 2.906 . 0 0 "[ . 1 . 2]" 1
1561 1 93 ARG H 1 93 ARG QD 5.550 . 5.550 4.061 3.313 4.277 . 0 0 "[ . 1 . 2]" 1
1562 1 93 ARG H 1 93 ARG HG3 3.660 . 3.660 2.564 1.822 2.907 . 0 0 "[ . 1 . 2]" 1
1563 1 93 ARG H 1 94 ILE H 3.400 . 3.400 2.652 2.340 2.825 . 0 0 "[ . 1 . 2]" 1
1564 1 93 ARG H 1 94 ILE HB 5.780 . 5.780 4.624 4.215 4.817 . 0 0 "[ . 1 . 2]" 1
1565 1 93 ARG H 1 94 ILE MD 5.780 . 5.780 4.856 3.928 5.132 . 0 0 "[ . 1 . 2]" 1
1566 1 93 ARG H 1 95 LEU H 5.270 . 5.270 4.340 3.801 4.547 . 0 0 "[ . 1 . 2]" 1
1567 1 93 ARG HA 1 93 ARG QD 4.750 . 4.750 4.532 4.079 4.687 . 0 0 "[ . 1 . 2]" 1
1568 1 93 ARG HA 1 93 ARG HG3 3.950 . 3.950 3.674 3.345 3.752 . 0 0 "[ . 1 . 2]" 1
1569 1 93 ARG HA 1 94 ILE MD 5.780 . 5.780 5.925 4.378 6.130 0.350 8 0 "[ . 1 . 2]" 1
1570 1 93 ARG HA 1 95 LEU H 4.800 . 4.800 4.772 4.346 4.948 0.148 18 0 "[ . 1 . 2]" 1
1571 1 93 ARG HA 1 96 HIS H 4.250 . 4.250 4.359 3.988 4.531 0.281 14 0 "[ . 1 . 2]" 1
1572 1 93 ARG HA 1 97 PRO HD3 4.620 . 4.620 3.914 3.081 4.732 0.112 2 0 "[ . 1 . 2]" 1
1573 1 93 ARG QB 1 94 ILE H 4.060 . 4.060 3.610 2.198 3.868 . 0 0 "[ . 1 . 2]" 1
1574 1 93 ARG QB 1 94 ILE MD 4.650 . 4.650 4.552 1.895 4.917 0.267 10 0 "[ . 1 . 2]" 1
1575 1 93 ARG QB 1 94 ILE HG13 4.770 . 4.770 3.679 3.372 4.011 . 0 0 "[ . 1 . 2]" 1
1576 1 93 ARG QD 1 94 ILE MD 4.420 . 4.420 2.966 2.472 3.282 . 0 0 "[ . 1 . 2]" 1
1577 1 93 ARG HG3 1 94 ILE H 3.530 . 3.530 2.617 2.171 3.727 0.197 2 0 "[ . 1 . 2]" 1
1578 1 93 ARG HG3 1 95 LEU H 5.470 . 5.470 4.864 4.577 5.587 0.117 6 0 "[ . 1 . 2]" 1
1579 1 94 ILE H 1 94 ILE HB 3.770 . 3.770 2.353 2.251 2.467 . 0 0 "[ . 1 . 2]" 1
1580 1 94 ILE H 1 94 ILE MD 4.240 . 4.240 3.672 2.198 3.941 . 0 0 "[ . 1 . 2]" 1
1581 1 94 ILE H 1 94 ILE HG13 3.630 . 3.630 2.846 2.421 3.596 . 0 0 "[ . 1 . 2]" 1
1582 1 94 ILE H 1 94 ILE MG 4.510 . 4.510 3.741 3.665 3.788 . 0 0 "[ . 1 . 2]" 1
1583 1 94 ILE H 1 95 LEU H 3.480 . 3.480 2.308 2.125 2.576 . 0 0 "[ . 1 . 2]" 1
1584 1 94 ILE H 1 96 HIS H 4.880 . 4.880 3.844 3.596 4.588 . 0 0 "[ . 1 . 2]" 1
1585 1 94 ILE HA 1 94 ILE MD 4.220 . 4.220 3.807 3.070 3.873 . 0 0 "[ . 1 . 2]" 1
1586 1 94 ILE HA 1 94 ILE HG13 3.890 . 3.890 2.736 2.329 2.892 . 0 0 "[ . 1 . 2]" 1
1587 1 94 ILE HA 1 94 ILE MG 3.560 . 3.560 2.633 2.544 2.684 . 0 0 "[ . 1 . 2]" 1
1588 1 94 ILE HA 1 96 HIS H 5.640 . 5.640 4.581 4.283 4.872 . 0 0 "[ . 1 . 2]" 1
1589 1 94 ILE HA 1 97 PRO HD2 4.690 . 4.690 3.399 2.980 3.764 . 0 0 "[ . 1 . 2]" 1
1590 1 94 ILE HA 1 97 PRO HD3 5.070 . 5.070 4.348 3.993 4.830 . 0 0 "[ . 1 . 2]" 1
1591 1 94 ILE HB 1 94 ILE MD 3.300 . 3.300 2.438 2.383 2.474 . 0 0 "[ . 1 . 2]" 1
1592 1 94 ILE HB 1 95 LEU H 3.840 . 3.840 2.933 2.706 3.153 . 0 0 "[ . 1 . 2]" 1
1593 1 94 ILE HB 1 97 PRO HD2 5.550 . 5.550 5.410 5.213 5.636 0.086 5 0 "[ . 1 . 2]" 1
1594 1 94 ILE MD 1 95 LEU H 5.520 . 5.520 4.835 4.247 5.024 . 0 0 "[ . 1 . 2]" 1
1595 1 94 ILE MG 1 95 LEU H 4.130 . 4.130 3.378 3.176 3.595 . 0 0 "[ . 1 . 2]" 1
1596 1 94 ILE MG 1 95 LEU HA 4.610 . 4.610 3.373 3.222 3.512 . 0 0 "[ . 1 . 2]" 1
1597 1 94 ILE MG 1 95 LEU HB2 4.380 . 4.380 3.902 3.466 4.465 0.085 2 0 "[ . 1 . 2]" 1
1598 1 94 ILE MG 1 98 PHE H 5.530 . 5.530 5.291 4.792 5.608 0.078 19 0 "[ . 1 . 2]" 1
1599 1 95 LEU H 1 95 LEU HB2 3.800 . 3.800 2.586 2.391 2.746 . 0 0 "[ . 1 . 2]" 1
1600 1 95 LEU H 1 96 HIS H 3.520 . 3.520 2.481 2.383 2.702 . 0 0 "[ . 1 . 2]" 1
1601 1 95 LEU H 1 97 PRO HD2 5.760 . 5.760 3.639 3.375 4.128 . 0 0 "[ . 1 . 2]" 1
1602 1 95 LEU HA 1 97 PRO HD2 5.210 . 5.210 3.923 3.654 4.214 . 0 0 "[ . 1 . 2]" 1
1603 1 95 LEU HA 1 98 PHE QB 4.190 . 4.190 2.508 2.149 3.153 . 0 0 "[ . 1 . 2]" 1
1604 1 95 LEU HB2 1 96 HIS H 4.440 . 4.440 4.010 3.346 4.254 . 0 0 "[ . 1 . 2]" 1
1605 1 95 LEU HB3 1 96 HIS H 4.990 . 4.990 3.014 2.520 3.894 . 0 0 "[ . 1 . 2]" 1
1606 1 96 HIS H 1 97 PRO HD2 4.760 . 4.760 2.537 2.198 3.024 . 0 0 "[ . 1 . 2]" 1
1607 1 96 HIS H 1 97 PRO HD3 5.780 . 5.780 3.124 2.663 3.433 . 0 0 "[ . 1 . 2]" 1
1608 1 96 HIS HA 1 97 PRO QG 5.570 . 5.570 5.378 5.237 5.487 . 0 0 "[ . 1 . 2]" 1
1609 1 96 HIS HA 1 99 GLU H 4.380 . 4.380 3.557 3.063 3.996 . 0 0 "[ . 1 . 2]" 1
1610 1 96 HIS HA 1 99 GLU QB 3.950 . 3.950 3.041 2.313 3.989 0.039 11 0 "[ . 1 . 2]" 1
1611 1 96 HIS HA 1 99 GLU QG 4.240 . 4.240 2.696 2.113 3.214 . 0 0 "[ . 1 . 2]" 1
1612 1 96 HIS QB 1 97 PRO HD3 5.610 . 5.610 2.456 2.092 2.870 . 0 0 "[ . 1 . 2]" 1
1613 1 97 PRO HA 1 98 PHE HA 5.610 . 5.610 4.705 4.550 4.863 . 0 0 "[ . 1 . 2]" 1
1614 1 97 PRO HD2 1 98 PHE H 4.950 . 4.950 2.774 2.497 3.003 . 0 0 "[ . 1 . 2]" 1
1615 1 97 PRO HD2 1 98 PHE QB 4.980 . 4.980 3.875 3.471 4.295 . 0 0 "[ . 1 . 2]" 1
1616 1 97 PRO HD3 1 98 PHE H 5.780 . 5.780 3.956 3.751 4.097 . 0 0 "[ . 1 . 2]" 1
1617 1 97 PRO QG 1 98 PHE H 5.490 . 5.490 3.183 2.393 4.180 . 0 0 "[ . 1 . 2]" 1
1618 1 97 PRO QG 1 98 PHE QB 5.610 . 5.610 3.584 2.972 4.992 . 0 0 "[ . 1 . 2]" 1
1619 1 98 PHE H 1 98 PHE QB 3.680 . 3.680 2.408 2.248 2.584 . 0 0 "[ . 1 . 2]" 1
1620 1 98 PHE H 1 98 PHE QD 4.630 . 4.630 4.342 4.216 4.465 . 0 0 "[ . 1 . 2]" 1
1621 1 98 PHE H 1 99 GLU H 3.700 . 3.700 2.276 1.976 2.601 . 0 0 "[ . 1 . 2]" 1
1622 1 98 PHE H 1 99 GLU QG 5.610 . 5.610 3.809 3.020 4.228 . 0 0 "[ . 1 . 2]" 1
1623 1 98 PHE HA 1 98 PHE QD 3.840 . 3.840 2.529 2.135 2.760 . 0 0 "[ . 1 . 2]" 1
1624 1 98 PHE HA 1 98 PHE QE 4.870 . 4.870 4.522 4.285 4.609 . 0 0 "[ . 1 . 2]" 1
1625 1 98 PHE HA 1 100 VAL H 4.600 . 4.600 3.669 3.315 4.042 . 0 0 "[ . 1 . 2]" 1
1626 1 98 PHE HA 1 101 TYR H 4.590 . 4.590 3.681 2.986 4.028 . 0 0 "[ . 1 . 2]" 1
1627 1 98 PHE HA 1 102 THR H 5.310 . 5.310 5.056 4.072 5.362 0.052 17 0 "[ . 1 . 2]" 1
1628 1 98 PHE HA 1 102 THR MG 5.540 . 5.540 4.794 4.056 5.199 . 0 0 "[ . 1 . 2]" 1
1629 1 98 PHE QB 1 99 GLU H 4.070 . 4.070 3.347 2.830 3.726 . 0 0 "[ . 1 . 2]" 1
1630 1 98 PHE QB 1 99 GLU HA 5.610 . 5.610 4.323 4.231 4.454 . 0 0 "[ . 1 . 2]" 1
1631 1 98 PHE HB2 1 99 GLU H 4.820 . 4.820 4.300 3.927 4.453 . 0 0 "[ . 1 . 2]" 1
1632 1 98 PHE HB3 1 99 GLU H 4.820 . 4.820 3.495 2.903 3.996 . 0 0 "[ . 1 . 2]" 1
1633 1 98 PHE QD 1 99 GLU H 5.250 . 5.250 4.727 4.432 5.007 . 0 0 "[ . 1 . 2]" 1
1634 1 98 PHE QD 1 99 GLU HA 5.320 . 5.320 4.576 4.156 5.097 . 0 0 "[ . 1 . 2]" 1
1635 1 98 PHE QD 1 102 THR MG 4.670 . 4.670 2.625 2.118 3.273 . 0 0 "[ . 1 . 2]" 1
1636 1 98 PHE QE 1 101 TYR H 5.780 . 5.780 5.432 5.040 5.928 0.148 8 0 "[ . 1 . 2]" 1
1637 1 98 PHE QE 1 102 THR MG 4.660 . 4.660 2.955 2.465 3.471 . 0 0 "[ . 1 . 2]" 1
1638 1 99 GLU H 1 99 GLU HB2 4.040 . 4.040 3.536 2.518 3.700 . 0 0 "[ . 1 . 2]" 1
1639 1 99 GLU H 1 99 GLU QB 3.410 . 3.410 2.581 2.457 2.841 . 0 0 "[ . 1 . 2]" 1
1640 1 99 GLU H 1 99 GLU HB3 4.040 . 4.040 2.752 2.498 3.629 . 0 0 "[ . 1 . 2]" 1
1641 1 99 GLU H 1 99 GLU HG2 4.380 . 4.380 2.631 2.079 3.666 . 0 0 "[ . 1 . 2]" 1
1642 1 99 GLU H 1 99 GLU QG 3.820 . 3.820 2.163 1.796 2.353 . 0 0 "[ . 1 . 2]" 1
1643 1 99 GLU H 1 99 GLU HG3 4.380 . 4.380 3.004 1.802 3.666 . 0 0 "[ . 1 . 2]" 1
1644 1 99 GLU H 1 100 VAL H 3.790 . 3.790 2.666 2.552 2.757 . 0 0 "[ . 1 . 2]" 1
1645 1 99 GLU H 1 100 VAL MG2 4.920 . 4.920 3.771 3.600 4.091 . 0 0 "[ . 1 . 2]" 1
1646 1 99 GLU H 1 101 TYR H 5.010 . 5.010 4.402 4.104 4.635 . 0 0 "[ . 1 . 2]" 1
1647 1 99 GLU HA 1 99 GLU QG 3.790 . 3.790 3.373 2.947 3.556 . 0 0 "[ . 1 . 2]" 1
1648 1 99 GLU HA 1 101 TYR H 5.530 . 5.530 3.915 3.587 4.542 . 0 0 "[ . 1 . 2]" 1
1649 1 99 GLU HA 1 102 THR H 4.150 . 4.150 2.871 2.441 3.631 . 0 0 "[ . 1 . 2]" 1
1650 1 99 GLU HA 1 102 THR MG 3.910 . 3.910 2.992 2.381 3.904 . 0 0 "[ . 1 . 2]" 1
1651 1 99 GLU HA 1 103 SER H 4.370 . 4.370 3.122 1.897 3.939 . 0 0 "[ . 1 . 2]" 1
1652 1 99 GLU HA 1 103 SER QB 4.590 . 4.590 4.208 3.583 4.752 0.162 2 0 "[ . 1 . 2]" 1
1653 1 99 GLU QB 1 100 VAL MG2 4.740 . 4.740 4.425 3.163 4.746 0.006 1 0 "[ . 1 . 2]" 1
1654 1 99 GLU QB 1 101 TYR H 5.610 . 5.610 5.052 4.822 5.301 . 0 0 "[ . 1 . 2]" 1
1655 1 99 GLU HB2 1 100 VAL H 4.470 . 4.470 4.025 2.660 4.322 . 0 0 "[ . 1 . 2]" 1
1656 1 99 GLU HB2 1 100 VAL MG2 5.490 . 5.490 4.862 3.253 5.321 . 0 0 "[ . 1 . 2]" 1
1657 1 99 GLU HB3 1 100 VAL H 4.470 . 4.470 4.230 3.711 4.481 0.011 9 0 "[ . 1 . 2]" 1
1658 1 99 GLU HB3 1 100 VAL MG2 5.490 . 5.490 5.142 4.307 5.537 0.047 19 0 "[ . 1 . 2]" 1
1659 1 99 GLU QG 1 100 VAL H 4.570 . 4.570 3.046 2.495 4.221 . 0 0 "[ . 1 . 2]" 1
1660 1 99 GLU QG 1 100 VAL MG2 4.620 . 4.620 3.390 2.664 4.663 0.043 20 0 "[ . 1 . 2]" 1
1661 1 99 GLU QG 1 102 THR MG 5.610 . 5.610 5.382 4.899 5.697 0.087 16 0 "[ . 1 . 2]" 1
1662 1 99 GLU HG2 1 100 VAL H 5.340 . 5.340 3.721 2.812 4.810 . 0 0 "[ . 1 . 2]" 1
1663 1 99 GLU HG2 1 100 VAL MG2 5.290 . 5.290 4.080 3.038 5.169 . 0 0 "[ . 1 . 2]" 1
1664 1 99 GLU HG3 1 100 VAL H 5.340 . 5.340 3.331 2.660 5.166 . 0 0 "[ . 1 . 2]" 1
1665 1 99 GLU HG3 1 100 VAL MG2 5.290 . 5.290 3.670 2.823 5.334 0.044 20 0 "[ . 1 . 2]" 1
1666 1 100 VAL H 1 100 VAL HB 3.380 . 3.380 2.626 2.522 2.743 . 0 0 "[ . 1 . 2]" 1
1667 1 100 VAL H 1 100 VAL MG1 4.180 . 4.180 3.816 3.798 3.834 . 0 0 "[ . 1 . 2]" 1
1668 1 100 VAL H 1 100 VAL MG2 3.190 . 3.190 1.968 1.865 2.083 . 0 0 "[ . 1 . 2]" 1
1669 1 100 VAL H 1 101 TYR H 3.510 . 3.510 2.703 2.567 2.869 . 0 0 "[ . 1 . 2]" 1
1670 1 100 VAL HA 1 100 VAL MG1 3.390 . 3.390 2.454 2.403 2.530 . 0 0 "[ . 1 . 2]" 1
1671 1 100 VAL HA 1 100 VAL MG2 3.270 . 3.270 2.489 2.388 2.558 . 0 0 "[ . 1 . 2]" 1
1672 1 100 VAL HA 1 102 THR H 5.780 . 5.780 4.881 4.500 5.302 . 0 0 "[ . 1 . 2]" 1
1673 1 100 VAL HB 1 101 TYR H 3.550 . 3.550 2.699 2.491 3.012 . 0 0 "[ . 1 . 2]" 1
1674 1 100 VAL HB 1 101 TYR QB 5.080 . 5.080 4.059 3.886 4.383 . 0 0 "[ . 1 . 2]" 1
1675 1 100 VAL MG1 1 101 TYR H 4.190 . 4.190 3.640 3.402 3.928 . 0 0 "[ . 1 . 2]" 1
1676 1 100 VAL MG1 1 101 TYR HA 4.740 . 4.740 3.873 3.600 4.181 . 0 0 "[ . 1 . 2]" 1
1677 1 100 VAL MG2 1 101 TYR H 4.250 . 4.250 3.808 3.682 3.951 . 0 0 "[ . 1 . 2]" 1
1678 1 101 TYR H 1 101 TYR HB2 3.510 . 3.510 2.708 2.520 2.860 . 0 0 "[ . 1 . 2]" 1
1679 1 101 TYR H 1 101 TYR HB3 3.510 . 3.510 2.414 2.287 2.499 . 0 0 "[ . 1 . 2]" 1
1680 1 101 TYR H 1 101 TYR QD 4.460 . 4.460 4.232 4.143 4.282 . 0 0 "[ . 1 . 2]" 1
1681 1 101 TYR H 1 102 THR H 3.780 . 3.780 2.675 2.515 2.832 . 0 0 "[ . 1 . 2]" 1
1682 1 101 TYR H 1 102 THR MG 4.630 . 4.630 4.057 3.879 4.405 . 0 0 "[ . 1 . 2]" 1
1683 1 101 TYR HA 1 101 TYR QD 3.480 . 3.480 2.869 2.695 3.123 . 0 0 "[ . 1 . 2]" 1
1684 1 101 TYR QB 1 102 THR H 3.720 . 3.720 2.488 2.384 2.682 . 0 0 "[ . 1 . 2]" 1
1685 1 101 TYR HB2 1 102 THR H 4.440 . 4.440 3.898 3.811 3.987 . 0 0 "[ . 1 . 2]" 1
1686 1 101 TYR HB3 1 102 THR H 4.440 . 4.440 2.518 2.407 2.726 . 0 0 "[ . 1 . 2]" 1
1687 1 101 TYR QD 1 102 THR H 3.770 . 3.770 3.202 2.836 3.534 . 0 0 "[ . 1 . 2]" 1
1688 1 101 TYR QD 1 102 THR HA 4.660 . 4.660 3.287 2.879 3.939 . 0 0 "[ . 1 . 2]" 1
1689 1 101 TYR QD 1 102 THR HB 5.090 . 5.090 4.095 2.096 4.729 . 0 0 "[ . 1 . 2]" 1
1690 1 101 TYR QD 1 102 THR MG 3.320 . 3.320 2.346 2.089 2.772 . 0 0 "[ . 1 . 2]" 1
1691 1 101 TYR QE 1 102 THR HA 5.170 . 5.170 4.311 4.010 4.674 . 0 0 "[ . 1 . 2]" 1
1692 1 101 TYR QE 1 102 THR HB 5.780 . 5.780 5.185 2.893 5.900 0.120 4 0 "[ . 1 . 2]" 1
1693 1 101 TYR QE 1 102 THR MG 4.030 . 4.030 3.660 3.010 4.187 0.157 14 0 "[ . 1 . 2]" 1
1694 1 102 THR H 1 102 THR HB 3.790 . 3.790 3.553 2.936 3.714 . 0 0 "[ . 1 . 2]" 1
1695 1 102 THR H 1 102 THR MG 3.640 . 3.640 2.159 1.937 2.372 . 0 0 "[ . 1 . 2]" 1
1696 1 102 THR H 1 103 SER H 3.480 . 3.480 2.600 2.240 2.865 . 0 0 "[ . 1 . 2]" 1
1697 1 102 THR HA 1 102 THR MG 3.420 . 3.420 2.608 2.380 3.263 . 0 0 "[ . 1 . 2]" 1
1698 1 102 THR HB 1 103 SER H 4.440 . 4.440 3.941 3.479 4.426 . 0 0 "[ . 1 . 2]" 1
1699 1 102 THR MG 1 103 SER H 4.340 . 4.340 3.667 2.021 4.155 . 0 0 "[ . 1 . 2]" 1
1700 1 102 THR MG 1 103 SER QB 5.310 . 5.310 5.072 4.292 5.425 0.115 1 0 "[ . 1 . 2]" 1
1701 1 103 SER H 1 103 SER QB 3.160 . 3.160 2.497 2.251 3.098 . 0 0 "[ . 1 . 2]" 1
1702 1 103 SER HA 1 105 LYS H 5.400 . 5.400 4.452 3.573 5.441 0.041 14 0 "[ . 1 . 2]" 1
1703 1 103 SER QB 1 104 GLY H 4.960 . 4.960 3.117 2.138 3.946 . 0 0 "[ . 1 . 2]" 1
1704 1 103 SER QB 1 105 LYS H 4.080 . 4.080 3.476 2.683 4.228 0.148 1 0 "[ . 1 . 2]" 1
1705 1 104 GLY H 1 105 LYS H 3.490 . 3.490 2.792 1.878 3.617 0.127 16 0 "[ . 1 . 2]" 1
1706 1 104 GLY QA 1 105 LYS QB 5.240 . 5.240 4.485 4.068 4.775 . 0 0 "[ . 1 . 2]" 1
1707 1 105 LYS H 1 105 LYS QB 3.240 . 3.240 2.575 2.235 3.375 0.135 20 0 "[ . 1 . 2]" 1
1708 1 105 LYS H 1 105 LYS QG 4.390 . 4.390 3.018 2.098 4.107 . 0 0 "[ . 1 . 2]" 1
1709 1 105 LYS H 1 106 VAL H 4.820 . 4.820 4.202 2.463 4.636 . 0 0 "[ . 1 . 2]" 1
1710 1 105 LYS H 1 106 VAL QG 5.780 . 5.780 4.827 3.506 5.622 . 0 0 "[ . 1 . 2]" 1
1711 1 105 LYS HA 1 105 LYS QG 3.920 . 3.920 2.665 2.365 3.410 . 0 0 "[ . 1 . 2]" 1
1712 1 105 LYS HA 1 106 VAL H 3.140 . 3.140 2.358 2.136 3.271 0.131 7 0 "[ . 1 . 2]" 1
1713 1 105 LYS HA 1 106 VAL HA 4.640 . 4.640 4.479 4.366 4.605 . 0 0 "[ . 1 . 2]" 1
1714 1 105 LYS QB 1 106 VAL H 4.350 . 4.350 3.254 2.189 3.912 . 0 0 "[ . 1 . 2]" 1
1715 1 105 LYS QB 1 106 VAL QG 4.860 . 4.860 4.211 3.415 4.870 0.010 18 0 "[ . 1 . 2]" 1
1716 1 105 LYS QG 1 106 VAL H 4.900 . 4.900 4.013 2.323 4.903 0.003 17 0 "[ . 1 . 2]" 1
1717 1 106 VAL H 1 106 VAL HB 3.850 . 3.850 3.156 2.502 3.837 . 0 0 "[ . 1 . 2]" 1
1718 1 106 VAL H 1 106 VAL QG 3.620 . 3.620 2.179 1.890 2.754 . 0 0 "[ . 1 . 2]" 1
1719 1 106 VAL HA 1 107 LEU H 3.210 . 3.210 2.236 2.104 2.507 . 0 0 "[ . 1 . 2]" 1
1720 1 106 VAL HA 1 107 LEU QB 4.680 . 4.680 4.347 3.915 4.908 0.228 14 0 "[ . 1 . 2]" 1
1721 1 106 VAL HB 1 107 LEU H 4.730 . 4.730 4.034 2.140 4.535 . 0 0 "[ . 1 . 2]" 1
1722 1 106 VAL QG 1 107 LEU H 4.140 . 4.140 3.137 2.234 3.820 . 0 0 "[ . 1 . 2]" 1
1723 1 107 LEU H 1 107 LEU QB 3.480 . 3.480 2.733 2.209 3.358 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Friday, May 31, 2024 11:30:54 PM GMT (wattos1)