NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
398297 |
1te7   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1te7
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 1405
_Distance_constraint_stats_list.Viol_count 2245
_Distance_constraint_stats_list.Viol_total 2296.305
_Distance_constraint_stats_list.Viol_max 0.318
_Distance_constraint_stats_list.Viol_rms 0.0187
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0041
_Distance_constraint_stats_list.Viol_average_violations_only 0.0511
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 PRO 5.728 0.308 3 0 "[ . 1 . 2]"
1 4 ASN 8.290 0.308 3 0 "[ . 1 . 2]"
1 5 ASP 1.998 0.128 2 0 "[ . 1 . 2]"
1 6 ILE 1.687 0.164 4 0 "[ . 1 . 2]"
1 7 THR 0.170 0.052 14 0 "[ . 1 . 2]"
1 8 PHE 0.135 0.057 9 0 "[ . 1 . 2]"
1 9 PHE 2.214 0.141 11 0 "[ . 1 . 2]"
1 10 GLN 0.451 0.042 12 0 "[ . 1 . 2]"
1 11 ARG 1.702 0.091 8 0 "[ . 1 . 2]"
1 12 PHE 0.827 0.077 7 0 "[ . 1 . 2]"
1 13 GLN 4.082 0.125 6 0 "[ . 1 . 2]"
1 14 ASP 0.876 0.069 3 0 "[ . 1 . 2]"
1 15 ASP 0.512 0.081 6 0 "[ . 1 . 2]"
1 16 ILE 0.566 0.079 3 0 "[ . 1 . 2]"
1 17 LEU 0.674 0.079 3 0 "[ . 1 . 2]"
1 18 ALA 1.055 0.096 16 0 "[ . 1 . 2]"
1 19 GLY 0.357 0.107 16 0 "[ . 1 . 2]"
1 20 ARG 0.293 0.089 16 0 "[ . 1 . 2]"
1 21 LYS 0.089 0.089 16 0 "[ . 1 . 2]"
1 22 THR 0.720 0.046 19 0 "[ . 1 . 2]"
1 23 ILE 2.737 0.144 6 0 "[ . 1 . 2]"
1 24 THR 4.081 0.144 6 0 "[ . 1 . 2]"
1 25 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ARG 0.523 0.118 20 0 "[ . 1 . 2]"
1 27 ASP 0.290 0.118 20 0 "[ . 1 . 2]"
1 28 GLU 3.877 0.112 6 0 "[ . 1 . 2]"
1 29 SER 0.397 0.071 15 0 "[ . 1 . 2]"
1 30 GLU 0.108 0.026 10 0 "[ . 1 . 2]"
1 31 SER 1.566 0.132 19 0 "[ . 1 . 2]"
1 32 HIS 4.005 0.178 15 0 "[ . 1 . 2]"
1 33 PHE 3.402 0.178 15 0 "[ . 1 . 2]"
1 34 LYS 0.992 0.155 15 0 "[ . 1 . 2]"
1 35 THR 1.064 0.098 18 0 "[ . 1 . 2]"
1 36 GLY 0.337 0.075 20 0 "[ . 1 . 2]"
1 37 ASP 0.156 0.041 6 0 "[ . 1 . 2]"
1 38 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LEU 0.131 0.045 20 0 "[ . 1 . 2]"
1 40 ARG 0.067 0.067 10 0 "[ . 1 . 2]"
1 41 VAL 1.884 0.164 4 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ARG 1.614 0.289 19 0 "[ . 1 . 2]"
1 44 PHE 1.138 0.318 19 0 "[ . 1 . 2]"
1 45 GLU 1.387 0.089 18 0 "[ . 1 . 2]"
1 46 ASP 1.683 0.289 19 0 "[ . 1 . 2]"
1 47 ASP 1.946 0.188 19 0 "[ . 1 . 2]"
1 48 GLY 2.606 0.318 19 0 "[ . 1 . 2]"
1 49 TYR 0.887 0.275 18 0 "[ . 1 . 2]"
1 50 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 CYS 1.591 0.137 20 0 "[ . 1 . 2]"
1 52 THR 0.868 0.137 20 0 "[ . 1 . 2]"
1 53 ILE 0.361 0.035 17 0 "[ . 1 . 2]"
1 54 GLU 1.928 0.101 1 0 "[ . 1 . 2]"
1 55 VAL 3.065 0.170 17 0 "[ . 1 . 2]"
1 56 THR 0.181 0.070 7 0 "[ . 1 . 2]"
1 57 ALA 2.420 0.170 17 0 "[ . 1 . 2]"
1 58 THR 0.615 0.103 14 0 "[ . 1 . 2]"
1 59 SER 0.379 0.103 14 0 "[ . 1 . 2]"
1 60 THR 1.549 0.094 4 0 "[ . 1 . 2]"
1 61 VAL 2.293 0.139 19 0 "[ . 1 . 2]"
1 62 THR 1.904 0.083 15 0 "[ . 1 . 2]"
1 63 LEU 2.722 0.104 5 0 "[ . 1 . 2]"
1 64 ASP 3.220 0.224 5 0 "[ . 1 . 2]"
1 65 THR 1.030 0.096 11 0 "[ . 1 . 2]"
1 66 LEU 2.353 0.104 5 0 "[ . 1 . 2]"
1 67 THR 5.779 0.224 5 0 "[ . 1 . 2]"
1 68 GLU 4.045 0.111 14 0 "[ . 1 . 2]"
1 69 LYS 4.705 0.132 14 0 "[ . 1 . 2]"
1 70 HIS 5.726 0.195 5 0 "[ . 1 . 2]"
1 71 ALA 3.685 0.118 16 0 "[ . 1 . 2]"
1 72 GLU 1.825 0.079 20 0 "[ . 1 . 2]"
1 73 GLN 2.880 0.125 19 0 "[ . 1 . 2]"
1 74 GLU 3.107 0.196 9 0 "[ . 1 . 2]"
1 75 ASN 1.035 0.077 16 0 "[ . 1 . 2]"
1 76 MET 2.548 0.188 13 0 "[ . 1 . 2]"
1 77 THR 4.845 0.188 13 0 "[ . 1 . 2]"
1 78 LEU 1.276 0.079 16 0 "[ . 1 . 2]"
1 79 THR 3.135 0.104 1 0 "[ . 1 . 2]"
1 80 GLU 6.899 0.187 8 0 "[ . 1 . 2]"
1 81 LEU 2.681 0.138 7 0 "[ . 1 . 2]"
1 82 LYS 1.010 0.116 17 0 "[ . 1 . 2]"
1 83 LYS 3.446 0.125 20 0 "[ . 1 . 2]"
1 84 VAL 3.142 0.177 11 0 "[ . 1 . 2]"
1 85 ILE 3.253 0.197 15 0 "[ . 1 . 2]"
1 86 ALA 2.395 0.121 11 0 "[ . 1 . 2]"
1 87 ASP 3.364 0.307 11 0 "[ . 1 . 2]"
1 88 ILE 2.953 0.307 11 0 "[ . 1 . 2]"
1 89 TYR 1.920 0.090 11 0 "[ . 1 . 2]"
1 90 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 GLY 0.557 0.096 7 0 "[ . 1 . 2]"
1 92 GLN 0.636 0.096 7 0 "[ . 1 . 2]"
1 93 THR 0.486 0.126 12 0 "[ . 1 . 2]"
1 94 GLN 0.343 0.137 12 0 "[ . 1 . 2]"
1 95 PHE 0.858 0.137 12 0 "[ . 1 . 2]"
1 96 TYR 3.202 0.139 19 0 "[ . 1 . 2]"
1 97 VAL 0.453 0.132 13 0 "[ . 1 . 2]"
1 98 ILE 2.064 0.133 19 0 "[ . 1 . 2]"
1 99 GLU 0.584 0.079 7 0 "[ . 1 . 2]"
1 100 PHE 0.513 0.071 7 0 "[ . 1 . 2]"
1 101 LYS 4.624 0.137 16 0 "[ . 1 . 2]"
1 102 CYS 1.979 0.137 16 0 "[ . 1 . 2]"
1 103 LEU 0.171 0.039 2 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 PRO HA 1 4 ASN H . . 2.490 2.509 2.468 2.559 0.069 11 0 "[ . 1 . 2]" 1
2 1 3 PRO HB2 1 4 ASN H . . 3.050 3.315 3.263 3.358 0.308 3 0 "[ . 1 . 2]" 1
3 1 3 PRO HB3 1 4 ASN H . . 3.330 2.535 2.418 2.629 . 0 0 "[ . 1 . 2]" 1
4 1 3 PRO HD2 1 4 ASN H . . 5.500 5.372 5.325 5.406 . 0 0 "[ . 1 . 2]" 1
5 1 4 ASN H 1 4 ASN HB2 . . 3.110 2.608 2.173 3.182 0.072 3 0 "[ . 1 . 2]" 1
6 1 4 ASN H 1 4 ASN HB3 . . 2.740 2.488 2.176 2.832 0.092 10 0 "[ . 1 . 2]" 1
7 1 4 ASN H 1 4 ASN HD21 . . 5.500 5.434 5.158 5.613 0.113 10 0 "[ . 1 . 2]" 1
8 1 4 ASN H 1 4 ASN HD22 . . 4.380 4.068 3.679 4.472 0.092 10 0 "[ . 1 . 2]" 1
9 1 4 ASN H 1 5 ASP H . . 5.340 4.608 4.518 4.672 . 0 0 "[ . 1 . 2]" 1
10 1 4 ASN HA 1 4 ASN HD22 . . 4.820 3.483 2.249 4.427 . 0 0 "[ . 1 . 2]" 1
11 1 4 ASN HA 1 5 ASP H . . 2.620 2.565 2.448 2.706 0.086 10 0 "[ . 1 . 2]" 1
12 1 4 ASN HA 1 7 THR MG . . 6.530 5.356 5.218 5.457 . 0 0 "[ . 1 . 2]" 1
13 1 4 ASN HB2 1 5 ASP H . . 3.730 3.761 3.609 3.858 0.128 2 0 "[ . 1 . 2]" 1
14 1 4 ASN HB2 1 6 ILE H . . 4.820 4.782 4.503 4.871 0.051 3 0 "[ . 1 . 2]" 1
15 1 4 ASN HB2 1 7 THR MG . . 6.530 3.723 3.376 3.934 . 0 0 "[ . 1 . 2]" 1
16 1 4 ASN HB3 1 5 ASP H . . 4.070 3.554 2.896 4.088 0.018 9 0 "[ . 1 . 2]" 1
17 1 4 ASN HB3 1 6 ILE H . . 5.500 4.215 3.016 5.008 . 0 0 "[ . 1 . 2]" 1
18 1 4 ASN HB3 1 7 THR MG . . 6.530 3.321 2.731 4.017 . 0 0 "[ . 1 . 2]" 1
19 1 4 ASN HD21 1 7 THR HA . . 5.500 4.483 3.688 5.516 0.016 10 0 "[ . 1 . 2]" 1
20 1 4 ASN HD21 1 7 THR MG . . 6.530 3.465 2.157 4.820 . 0 0 "[ . 1 . 2]" 1
21 1 4 ASN HD22 1 7 THR MG . . 6.530 3.685 2.499 4.863 . 0 0 "[ . 1 . 2]" 1
22 1 5 ASP H 1 5 ASP HB2 . . 3.610 2.515 2.345 2.628 . 0 0 "[ . 1 . 2]" 1
23 1 5 ASP H 1 5 ASP QB . . 3.380 2.471 2.314 2.568 . 0 0 "[ . 1 . 2]" 1
24 1 5 ASP H 1 5 ASP HB3 . . 3.610 3.620 3.557 3.701 0.091 6 0 "[ . 1 . 2]" 1
25 1 5 ASP H 1 6 ILE H . . 2.900 2.225 1.883 2.561 . 0 0 "[ . 1 . 2]" 1
26 1 5 ASP H 1 39 LEU QD . . 7.940 4.894 4.603 5.054 . 0 0 "[ . 1 . 2]" 1
27 1 5 ASP H 1 40 ARG H . . 3.760 3.550 3.257 3.827 0.067 10 0 "[ . 1 . 2]" 1
28 1 5 ASP H 1 40 ARG QG . . 5.450 3.982 3.608 4.512 . 0 0 "[ . 1 . 2]" 1
29 1 5 ASP HA 1 6 ILE H . . 3.640 3.629 3.598 3.650 0.010 14 0 "[ . 1 . 2]" 1
30 1 5 ASP HA 1 6 ILE MG . . 6.190 4.333 4.074 4.653 . 0 0 "[ . 1 . 2]" 1
31 1 5 ASP QB 1 6 ILE H . . 3.820 2.379 2.173 2.601 . 0 0 "[ . 1 . 2]" 1
32 1 5 ASP QB 1 6 ILE MG . . 4.490 2.320 2.157 2.546 . 0 0 "[ . 1 . 2]" 1
33 1 5 ASP QB 1 39 LEU QD . . 5.040 2.296 1.914 2.470 . 0 0 "[ . 1 . 2]" 1
34 1 5 ASP QB 1 40 ARG H . . 5.050 2.090 1.908 2.640 . 0 0 "[ . 1 . 2]" 1
35 1 5 ASP HB2 1 6 ILE H . . 4.410 2.413 2.193 2.659 . 0 0 "[ . 1 . 2]" 1
36 1 5 ASP HB2 1 6 ILE MG . . 4.950 2.430 2.201 2.655 . 0 0 "[ . 1 . 2]" 1
37 1 5 ASP HB2 1 39 LEU HA . . 5.500 3.043 2.852 3.528 . 0 0 "[ . 1 . 2]" 1
38 1 5 ASP HB2 1 39 LEU MD1 . . 6.310 5.042 2.713 5.332 . 0 0 "[ . 1 . 2]" 1
39 1 5 ASP HB2 1 39 LEU MD2 . . 6.310 3.078 2.617 5.340 . 0 0 "[ . 1 . 2]" 1
40 1 5 ASP HB2 1 40 ARG H . . 5.500 2.116 1.926 2.692 . 0 0 "[ . 1 . 2]" 1
41 1 5 ASP HB3 1 6 ILE H . . 4.410 3.631 3.312 3.880 . 0 0 "[ . 1 . 2]" 1
42 1 5 ASP HB3 1 6 ILE MG . . 4.950 3.008 2.421 3.424 . 0 0 "[ . 1 . 2]" 1
43 1 5 ASP HB3 1 39 LEU HA . . 5.500 3.350 2.602 3.987 . 0 0 "[ . 1 . 2]" 1
44 1 5 ASP HB3 1 39 LEU MD1 . . 6.310 4.918 2.515 5.311 . 0 0 "[ . 1 . 2]" 1
45 1 5 ASP HB3 1 39 LEU MD2 . . 6.310 2.737 1.937 5.328 . 0 0 "[ . 1 . 2]" 1
46 1 5 ASP HB3 1 40 ARG H . . 5.500 3.262 2.781 3.822 . 0 0 "[ . 1 . 2]" 1
47 1 6 ILE H 1 6 ILE HG12 . . 5.500 4.519 4.262 4.998 . 0 0 "[ . 1 . 2]" 1
48 1 6 ILE H 1 6 ILE HG13 . . 5.500 4.597 4.376 4.761 . 0 0 "[ . 1 . 2]" 1
49 1 6 ILE H 1 6 ILE MG . . 4.230 2.422 2.111 2.584 . 0 0 "[ . 1 . 2]" 1
50 1 6 ILE H 1 7 THR H . . 5.190 4.244 4.171 4.363 . 0 0 "[ . 1 . 2]" 1
51 1 6 ILE H 1 40 ARG H . . 5.070 3.988 3.718 4.366 . 0 0 "[ . 1 . 2]" 1
52 1 6 ILE H 1 41 VAL HA . . 4.070 4.112 3.879 4.234 0.164 4 0 "[ . 1 . 2]" 1
53 1 6 ILE HA 1 6 ILE MD . . 4.330 3.542 2.656 3.818 . 0 0 "[ . 1 . 2]" 1
54 1 6 ILE HA 1 6 ILE HG12 . . 4.230 3.454 3.216 3.809 . 0 0 "[ . 1 . 2]" 1
55 1 6 ILE HA 1 6 ILE QG . . 3.610 2.467 2.353 2.711 . 0 0 "[ . 1 . 2]" 1
56 1 6 ILE HA 1 6 ILE HG13 . . 4.230 2.528 2.408 2.775 . 0 0 "[ . 1 . 2]" 1
57 1 6 ILE HA 1 6 ILE MG . . 3.680 3.194 3.160 3.213 . 0 0 "[ . 1 . 2]" 1
58 1 6 ILE HA 1 7 THR H . . 2.680 2.280 2.228 2.479 . 0 0 "[ . 1 . 2]" 1
59 1 6 ILE HA 1 7 THR MG . . 4.920 3.790 3.641 3.950 . 0 0 "[ . 1 . 2]" 1
60 1 6 ILE HB 1 6 ILE MD . . 3.430 2.155 1.919 2.275 . 0 0 "[ . 1 . 2]" 1
61 1 6 ILE HB 1 7 THR H . . 4.040 3.985 3.794 4.092 0.052 14 0 "[ . 1 . 2]" 1
62 1 6 ILE HB 1 39 LEU QD . . 6.550 3.269 2.263 4.104 . 0 0 "[ . 1 . 2]" 1
63 1 6 ILE MD 1 7 THR H . . 5.260 3.853 2.756 4.150 . 0 0 "[ . 1 . 2]" 1
64 1 6 ILE MD 1 8 PHE QD . . 6.820 4.180 3.765 4.655 . 0 0 "[ . 1 . 2]" 1
65 1 6 ILE MD 1 8 PHE QE . . 8.180 2.734 1.919 3.736 . 0 0 "[ . 1 . 2]" 1
66 1 6 ILE MD 1 39 LEU QD . . 6.550 3.194 2.440 3.916 . 0 0 "[ . 1 . 2]" 1
67 1 6 ILE QG 1 7 THR H . . 3.440 2.207 1.806 2.402 . 0 0 "[ . 1 . 2]" 1
68 1 6 ILE HG12 1 7 THR H . . 3.920 3.173 2.189 3.932 0.012 15 0 "[ . 1 . 2]" 1
69 1 6 ILE HG13 1 7 THR H . . 3.920 2.274 1.923 2.531 . 0 0 "[ . 1 . 2]" 1
70 1 6 ILE MG 1 7 THR H . . 6.090 4.043 3.610 4.188 . 0 0 "[ . 1 . 2]" 1
71 1 6 ILE MG 1 8 PHE QD . . 8.370 4.075 3.824 4.401 . 0 0 "[ . 1 . 2]" 1
72 1 6 ILE MG 1 8 PHE QE . . 7.560 2.179 1.957 2.819 . 0 0 "[ . 1 . 2]" 1
73 1 6 ILE MG 1 39 LEU QD . . 7.230 1.961 1.758 2.253 . 0 0 "[ . 1 . 2]" 1
74 1 6 ILE MG 1 40 ARG H . . 6.430 3.616 3.202 4.253 . 0 0 "[ . 1 . 2]" 1
75 1 7 THR H 1 7 THR MG . . 4.050 2.960 2.748 3.322 . 0 0 "[ . 1 . 2]" 1
76 1 7 THR H 1 8 PHE H . . 5.100 4.525 4.432 4.572 . 0 0 "[ . 1 . 2]" 1
77 1 7 THR HA 1 7 THR HB . . 2.770 2.654 2.618 2.684 . 0 0 "[ . 1 . 2]" 1
78 1 7 THR HA 1 7 THR MG . . 3.430 2.274 2.145 2.392 . 0 0 "[ . 1 . 2]" 1
79 1 7 THR HA 1 8 PHE H . . 2.680 2.483 2.359 2.590 . 0 0 "[ . 1 . 2]" 1
80 1 7 THR HA 1 8 PHE QD . . 7.620 2.873 2.370 3.865 . 0 0 "[ . 1 . 2]" 1
81 1 7 THR HB 1 8 PHE H . . 2.830 2.510 2.273 2.817 . 0 0 "[ . 1 . 2]" 1
82 1 7 THR HB 1 44 PHE H . . 4.690 3.906 3.118 4.670 . 0 0 "[ . 1 . 2]" 1
83 1 7 THR MG 1 8 PHE H . . 4.260 3.529 3.499 3.563 . 0 0 "[ . 1 . 2]" 1
84 1 7 THR MG 1 44 PHE H . . 6.190 4.600 4.179 5.025 . 0 0 "[ . 1 . 2]" 1
85 1 8 PHE H 1 9 PHE H . . 4.480 4.138 3.944 4.391 . 0 0 "[ . 1 . 2]" 1
86 1 8 PHE H 1 41 VAL QG . . 7.780 4.470 3.396 5.362 . 0 0 "[ . 1 . 2]" 1
87 1 8 PHE H 1 43 ARG HA . . 3.700 3.149 2.674 3.700 0.000 8 0 "[ . 1 . 2]" 1
88 1 8 PHE HA 1 9 PHE H . . 2.400 2.226 2.193 2.450 0.050 3 0 "[ . 1 . 2]" 1
89 1 8 PHE QB 1 9 PHE H . . 4.140 3.269 2.639 3.534 . 0 0 "[ . 1 . 2]" 1
90 1 8 PHE HB2 1 9 PHE H . . 4.350 4.160 3.348 4.407 0.057 9 0 "[ . 1 . 2]" 1
91 1 8 PHE HB3 1 9 PHE H . . 4.350 3.421 2.763 3.727 . 0 0 "[ . 1 . 2]" 1
92 1 8 PHE QD 1 9 PHE H . . 7.620 4.522 4.053 4.851 . 0 0 "[ . 1 . 2]" 1
93 1 8 PHE QD 1 12 PHE HB2 . . 5.760 4.491 4.038 4.992 . 0 0 "[ . 1 . 2]" 1
94 1 8 PHE QD 1 12 PHE HB3 . . 5.760 3.630 2.862 4.045 . 0 0 "[ . 1 . 2]" 1
95 1 8 PHE QD 1 12 PHE QD . . 8.190 3.048 2.007 3.931 . 0 0 "[ . 1 . 2]" 1
96 1 8 PHE QD 1 16 ILE MD . . 7.630 3.050 2.391 4.163 . 0 0 "[ . 1 . 2]" 1
97 1 8 PHE QE 1 16 ILE MD . . 8.650 3.847 3.268 4.605 . 0 0 "[ . 1 . 2]" 1
98 1 8 PHE QE 1 24 THR HB . . 5.980 2.774 1.985 3.925 . 0 0 "[ . 1 . 2]" 1
99 1 8 PHE QE 1 53 ILE MD . . 8.650 4.371 3.546 5.668 . 0 0 "[ . 1 . 2]" 1
100 1 9 PHE H 1 9 PHE HB2 . . 3.980 2.429 1.948 3.489 . 0 0 "[ . 1 . 2]" 1
101 1 9 PHE H 1 9 PHE QB . . 3.610 2.167 1.921 2.648 . 0 0 "[ . 1 . 2]" 1
102 1 9 PHE H 1 9 PHE HB3 . . 3.980 2.634 2.350 2.932 . 0 0 "[ . 1 . 2]" 1
103 1 9 PHE H 1 10 GLN H . . 5.100 4.661 4.582 4.674 . 0 0 "[ . 1 . 2]" 1
104 1 9 PHE H 1 12 PHE QD . . 6.850 3.427 2.195 4.090 . 0 0 "[ . 1 . 2]" 1
105 1 9 PHE H 1 43 ARG HA . . 5.440 5.460 5.333 5.506 0.066 4 0 "[ . 1 . 2]" 1
106 1 9 PHE HA 1 10 GLN H . . 2.680 2.461 2.369 2.706 0.026 11 0 "[ . 1 . 2]" 1
107 1 9 PHE HA 1 11 ARG H . . 5.030 4.566 4.319 4.920 . 0 0 "[ . 1 . 2]" 1
108 1 9 PHE HA 1 12 PHE H . . 5.070 4.612 4.483 4.761 . 0 0 "[ . 1 . 2]" 1
109 1 9 PHE HA 1 44 PHE H . . 3.760 3.051 2.356 3.733 . 0 0 "[ . 1 . 2]" 1
110 1 9 PHE HA 1 44 PHE QD . . 7.620 4.483 3.650 6.240 . 0 0 "[ . 1 . 2]" 1
111 1 9 PHE HA 1 45 GLU H . . 4.540 4.061 3.381 4.546 0.006 2 0 "[ . 1 . 2]" 1
112 1 9 PHE HA 1 87 ASP HB2 . . 5.500 5.574 5.532 5.641 0.141 11 0 "[ . 1 . 2]" 1
113 1 9 PHE QB 1 10 GLN H . . 4.120 3.182 2.026 3.506 . 0 0 "[ . 1 . 2]" 1
114 1 9 PHE QB 1 11 ARG H . . 4.460 3.204 2.491 3.769 . 0 0 "[ . 1 . 2]" 1
115 1 9 PHE QB 1 11 ARG QD . . 7.260 4.887 3.914 5.586 . 0 0 "[ . 1 . 2]" 1
116 1 9 PHE QB 1 11 ARG HG2 . . 6.380 5.082 3.841 5.558 . 0 0 "[ . 1 . 2]" 1
117 1 9 PHE QB 1 12 PHE QD . . 8.280 3.199 1.961 4.533 . 0 0 "[ . 1 . 2]" 1
118 1 9 PHE QB 1 87 ASP HB2 . . 4.830 4.060 3.416 4.239 . 0 0 "[ . 1 . 2]" 1
119 1 9 PHE HB2 1 10 GLN H . . 4.380 3.703 2.042 4.098 . 0 0 "[ . 1 . 2]" 1
120 1 9 PHE HB3 1 10 GLN H . . 4.380 3.626 3.062 3.809 . 0 0 "[ . 1 . 2]" 1
121 1 9 PHE QD 1 12 PHE QD . . 9.740 3.947 2.644 5.382 . 0 0 "[ . 1 . 2]" 1
122 1 9 PHE QD 1 44 PHE HB2 . . 6.510 3.942 2.960 4.609 . 0 0 "[ . 1 . 2]" 1
123 1 9 PHE QD 1 44 PHE HB3 . . 5.820 3.625 2.551 4.755 . 0 0 "[ . 1 . 2]" 1
124 1 9 PHE QD 1 44 PHE QD . . 8.630 4.685 3.570 5.567 . 0 0 "[ . 1 . 2]" 1
125 1 9 PHE QE 1 44 PHE HB2 . . 7.620 5.839 4.935 6.335 . 0 0 "[ . 1 . 2]" 1
126 1 9 PHE QE 1 44 PHE HB3 . . 7.500 5.135 3.749 6.838 . 0 0 "[ . 1 . 2]" 1
127 1 10 GLN H 1 10 GLN QB . . 3.490 2.338 2.176 2.686 . 0 0 "[ . 1 . 2]" 1
128 1 10 GLN H 1 10 GLN HG2 . . 4.410 3.759 2.359 4.413 0.003 4 0 "[ . 1 . 2]" 1
129 1 10 GLN H 1 10 GLN HG3 . . 4.410 3.541 1.923 4.452 0.042 12 0 "[ . 1 . 2]" 1
130 1 10 GLN H 1 11 ARG H . . 3.700 2.856 2.604 3.008 . 0 0 "[ . 1 . 2]" 1
131 1 10 GLN H 1 12 PHE H . . 5.500 4.232 3.890 4.401 . 0 0 "[ . 1 . 2]" 1
132 1 10 GLN H 1 44 PHE H . . 5.100 4.359 3.904 5.026 . 0 0 "[ . 1 . 2]" 1
133 1 10 GLN H 1 45 GLU H . . 4.260 4.228 3.873 4.294 0.034 3 0 "[ . 1 . 2]" 1
134 1 10 GLN HA 1 10 GLN QB . . 2.600 2.311 2.181 2.405 . 0 0 "[ . 1 . 2]" 1
135 1 10 GLN HA 1 12 PHE H . . 4.600 4.300 3.480 4.613 0.013 20 0 "[ . 1 . 2]" 1
136 1 10 GLN HA 1 13 GLN H . . 3.520 3.207 2.953 3.424 . 0 0 "[ . 1 . 2]" 1
137 1 10 GLN HA 1 45 GLU HB2 . . 5.500 4.777 3.598 5.243 . 0 0 "[ . 1 . 2]" 1
138 1 10 GLN QB 1 45 GLU HB2 . . 5.950 3.556 2.182 4.046 . 0 0 "[ . 1 . 2]" 1
139 1 10 GLN HG2 1 11 ARG H . . 5.280 3.818 3.447 4.245 . 0 0 "[ . 1 . 2]" 1
140 1 10 GLN HG3 1 11 ARG H . . 5.280 3.732 1.892 5.109 . 0 0 "[ . 1 . 2]" 1
141 1 11 ARG H 1 11 ARG HB2 . . 2.740 2.619 2.495 2.831 0.091 8 0 "[ . 1 . 2]" 1
142 1 11 ARG H 1 11 ARG HB3 . . 3.490 3.546 3.509 3.557 0.067 12 0 "[ . 1 . 2]" 1
143 1 11 ARG H 1 11 ARG QD . . 5.690 3.963 3.780 4.113 . 0 0 "[ . 1 . 2]" 1
144 1 11 ARG H 1 11 ARG HG2 . . 2.830 2.567 1.944 2.875 0.045 16 0 "[ . 1 . 2]" 1
145 1 11 ARG H 1 11 ARG HG3 . . 3.300 2.212 1.929 2.530 . 0 0 "[ . 1 . 2]" 1
146 1 11 ARG H 1 12 PHE H . . 3.390 2.829 2.715 2.924 . 0 0 "[ . 1 . 2]" 1
147 1 11 ARG HA 1 11 ARG HG2 . . 2.900 2.421 2.333 2.594 . 0 0 "[ . 1 . 2]" 1
148 1 11 ARG HA 1 13 GLN H . . 4.450 4.328 4.155 4.474 0.024 2 0 "[ . 1 . 2]" 1
149 1 11 ARG HB2 1 12 PHE H . . 5.000 2.619 2.416 3.180 . 0 0 "[ . 1 . 2]" 1
150 1 11 ARG HG2 1 12 PHE H . . 5.030 4.672 4.364 4.846 . 0 0 "[ . 1 . 2]" 1
151 1 11 ARG HG3 1 12 PHE H . . 4.230 4.204 3.987 4.287 0.057 18 0 "[ . 1 . 2]" 1
152 1 12 PHE H 1 12 PHE HB2 . . 3.490 1.984 1.913 2.132 . 0 0 "[ . 1 . 2]" 1
153 1 12 PHE H 1 12 PHE QB . . 3.240 1.958 1.892 2.111 . 0 0 "[ . 1 . 2]" 1
154 1 12 PHE H 1 12 PHE HB3 . . 3.490 3.071 2.730 3.419 . 0 0 "[ . 1 . 2]" 1
155 1 12 PHE H 1 13 GLN H . . 2.620 2.609 2.408 2.697 0.077 7 0 "[ . 1 . 2]" 1
156 1 12 PHE H 1 16 ILE MD . . 6.530 5.020 4.747 5.344 . 0 0 "[ . 1 . 2]" 1
157 1 12 PHE HA 1 12 PHE QB . . 2.720 2.562 2.509 2.593 . 0 0 "[ . 1 . 2]" 1
158 1 12 PHE HA 1 15 ASP H . . 4.040 3.488 3.356 3.656 . 0 0 "[ . 1 . 2]" 1
159 1 12 PHE QB 1 13 GLN H . . 4.350 2.654 2.499 2.799 . 0 0 "[ . 1 . 2]" 1
160 1 12 PHE HB2 1 13 GLN H . . 4.820 3.170 2.631 3.581 . 0 0 "[ . 1 . 2]" 1
161 1 12 PHE HB3 1 13 GLN H . . 4.820 3.000 2.576 3.611 . 0 0 "[ . 1 . 2]" 1
162 1 12 PHE QD 1 13 GLN H . . 5.670 4.399 4.098 4.685 . 0 0 "[ . 1 . 2]" 1
163 1 12 PHE QE 1 24 THR HA . . 7.620 3.960 3.314 4.853 . 0 0 "[ . 1 . 2]" 1
164 1 13 GLN H 1 13 GLN HA . . 2.900 2.780 2.746 2.793 . 0 0 "[ . 1 . 2]" 1
165 1 13 GLN H 1 13 GLN HB2 . . 3.140 2.040 2.022 2.078 . 0 0 "[ . 1 . 2]" 1
166 1 13 GLN H 1 13 GLN HB3 . . 3.360 3.298 3.255 3.374 0.014 6 0 "[ . 1 . 2]" 1
167 1 13 GLN H 1 13 GLN HG2 . . 4.570 3.576 3.453 3.646 . 0 0 "[ . 1 . 2]" 1
168 1 13 GLN H 1 13 GLN HG3 . . 3.730 3.688 3.476 3.774 0.044 19 0 "[ . 1 . 2]" 1
169 1 13 GLN H 1 14 ASP H . . 3.490 2.692 2.632 2.810 . 0 0 "[ . 1 . 2]" 1
170 1 13 GLN H 1 16 ILE MD . . 6.430 3.813 3.424 4.175 . 0 0 "[ . 1 . 2]" 1
171 1 13 GLN HA 1 13 GLN QE . . 5.250 3.809 2.487 4.577 . 0 0 "[ . 1 . 2]" 1
172 1 13 GLN HA 1 13 GLN HG2 . . 3.300 1.993 1.978 2.029 . 0 0 "[ . 1 . 2]" 1
173 1 13 GLN HA 1 13 GLN HG3 . . 3.270 3.328 3.301 3.378 0.108 15 0 "[ . 1 . 2]" 1
174 1 13 GLN HA 1 16 ILE H . . 4.510 3.438 3.231 3.829 . 0 0 "[ . 1 . 2]" 1
175 1 13 GLN HA 1 16 ILE HB . . 3.520 2.594 2.287 2.826 . 0 0 "[ . 1 . 2]" 1
176 1 13 GLN HA 1 16 ILE MD . . 4.230 2.233 1.938 2.811 . 0 0 "[ . 1 . 2]" 1
177 1 13 GLN HA 1 16 ILE HG13 . . 5.500 3.957 3.609 4.432 . 0 0 "[ . 1 . 2]" 1
178 1 13 GLN HB2 1 13 GLN HG2 . . 2.930 2.827 2.808 2.864 . 0 0 "[ . 1 . 2]" 1
179 1 13 GLN HB2 1 13 GLN HG3 . . 2.400 2.267 2.265 2.270 . 0 0 "[ . 1 . 2]" 1
180 1 13 GLN HB2 1 14 ASP H . . 3.520 3.028 2.865 3.101 . 0 0 "[ . 1 . 2]" 1
181 1 13 GLN HB3 1 13 GLN HG3 . . 2.740 2.827 2.809 2.865 0.125 6 0 "[ . 1 . 2]" 1
182 1 13 GLN HB3 1 14 ASP H . . 3.140 2.989 2.790 3.134 . 0 0 "[ . 1 . 2]" 1
183 1 13 GLN HG2 1 14 ASP H . . 5.500 4.924 4.871 4.959 . 0 0 "[ . 1 . 2]" 1
184 1 13 GLN HG3 1 14 ASP H . . 5.130 5.130 5.009 5.199 0.069 3 0 "[ . 1 . 2]" 1
185 1 14 ASP H 1 14 ASP HB2 . . 2.990 2.635 2.525 2.845 . 0 0 "[ . 1 . 2]" 1
186 1 14 ASP H 1 14 ASP HB3 . . 3.110 2.295 2.146 2.388 . 0 0 "[ . 1 . 2]" 1
187 1 14 ASP H 1 15 ASP H . . 2.740 2.719 2.601 2.773 0.033 19 0 "[ . 1 . 2]" 1
188 1 14 ASP H 1 17 LEU MD2 . . 6.530 4.415 4.048 4.820 . 0 0 "[ . 1 . 2]" 1
189 1 14 ASP HA 1 14 ASP HB2 . . 2.400 2.400 2.343 2.437 0.037 16 0 "[ . 1 . 2]" 1
190 1 14 ASP HA 1 17 LEU H . . 3.950 3.299 3.162 3.418 . 0 0 "[ . 1 . 2]" 1
191 1 14 ASP HA 1 17 LEU QB . . 4.460 2.580 2.338 2.839 . 0 0 "[ . 1 . 2]" 1
192 1 14 ASP HB2 1 15 ASP H . . 3.890 3.888 3.764 3.911 0.021 15 0 "[ . 1 . 2]" 1
193 1 14 ASP HB3 1 15 ASP H . . 3.730 2.478 2.280 2.521 . 0 0 "[ . 1 . 2]" 1
194 1 15 ASP H 1 15 ASP HB2 . . 4.040 2.173 2.005 2.662 . 0 0 "[ . 1 . 2]" 1
195 1 15 ASP H 1 15 ASP HB3 . . 4.040 2.943 2.272 3.452 . 0 0 "[ . 1 . 2]" 1
196 1 15 ASP H 1 16 ILE H . . 3.240 2.752 2.591 2.898 . 0 0 "[ . 1 . 2]" 1
197 1 15 ASP H 1 17 LEU H . . 4.260 4.190 4.083 4.294 0.034 3 0 "[ . 1 . 2]" 1
198 1 15 ASP HA 1 18 ALA H . . 3.420 3.393 3.313 3.501 0.081 6 0 "[ . 1 . 2]" 1
199 1 15 ASP HA 1 18 ALA MB . . 3.830 2.616 2.391 3.018 . 0 0 "[ . 1 . 2]" 1
200 1 15 ASP QB 1 16 ILE H . . 3.510 2.572 2.385 2.886 . 0 0 "[ . 1 . 2]" 1
201 1 15 ASP HB2 1 16 ILE H . . 4.110 3.392 2.652 3.999 . 0 0 "[ . 1 . 2]" 1
202 1 15 ASP HB3 1 16 ILE H . . 4.110 2.728 2.437 3.239 . 0 0 "[ . 1 . 2]" 1
203 1 16 ILE H 1 16 ILE HB . . 2.870 2.279 2.137 2.413 . 0 0 "[ . 1 . 2]" 1
204 1 16 ILE H 1 16 ILE MD . . 5.290 3.233 2.825 3.458 . 0 0 "[ . 1 . 2]" 1
205 1 16 ILE H 1 16 ILE HG12 . . 5.340 3.738 3.557 3.995 . 0 0 "[ . 1 . 2]" 1
206 1 16 ILE H 1 16 ILE HG13 . . 3.640 2.371 2.081 2.725 . 0 0 "[ . 1 . 2]" 1
207 1 16 ILE H 1 17 LEU H . . 3.490 2.674 2.559 2.787 . 0 0 "[ . 1 . 2]" 1
208 1 16 ILE HA 1 22 THR MG . . 6.530 5.211 3.827 5.426 . 0 0 "[ . 1 . 2]" 1
209 1 16 ILE HA 1 100 PHE QE . . 7.620 4.180 3.163 4.906 . 0 0 "[ . 1 . 2]" 1
210 1 16 ILE HB 1 17 LEU H . . 2.710 2.738 2.705 2.789 0.079 3 0 "[ . 1 . 2]" 1
211 1 16 ILE HB 1 100 PHE QE . . 7.620 4.839 4.253 5.796 . 0 0 "[ . 1 . 2]" 1
212 1 16 ILE MD 1 17 LEU H . . 6.530 4.465 4.271 4.626 . 0 0 "[ . 1 . 2]" 1
213 1 16 ILE MD 1 100 PHE QD . . 6.510 4.622 3.979 4.951 . 0 0 "[ . 1 . 2]" 1
214 1 16 ILE MD 1 100 PHE QE . . 6.700 2.950 2.027 3.424 . 0 0 "[ . 1 . 2]" 1
215 1 16 ILE MD 1 100 PHE HZ . . 6.530 2.424 1.929 3.592 . 0 0 "[ . 1 . 2]" 1
216 1 16 ILE HG13 1 17 LEU H . . 5.500 4.530 4.383 4.707 . 0 0 "[ . 1 . 2]" 1
217 1 16 ILE HG13 1 100 PHE QD . . 7.620 6.008 5.336 6.674 . 0 0 "[ . 1 . 2]" 1
218 1 16 ILE HG13 1 100 PHE QE . . 7.250 3.930 3.410 4.610 . 0 0 "[ . 1 . 2]" 1
219 1 16 ILE MG 1 17 LEU H . . 6.530 3.273 2.968 3.512 . 0 0 "[ . 1 . 2]" 1
220 1 16 ILE MG 1 19 GLY H . . 6.530 3.946 3.841 4.107 . 0 0 "[ . 1 . 2]" 1
221 1 16 ILE MG 1 100 PHE QD . . 8.620 4.212 3.423 4.998 . 0 0 "[ . 1 . 2]" 1
222 1 16 ILE MG 1 100 PHE QE . . 6.880 2.776 2.008 4.332 . 0 0 "[ . 1 . 2]" 1
223 1 16 ILE MG 1 102 CYS HB2 . . 5.940 3.282 1.810 4.775 . 0 0 "[ . 1 . 2]" 1
224 1 16 ILE MG 1 102 CYS QB . . 5.740 3.156 1.799 4.344 . 0 0 "[ . 1 . 2]" 1
225 1 16 ILE MG 1 102 CYS HB3 . . 5.940 4.233 2.541 4.994 . 0 0 "[ . 1 . 2]" 1
226 1 17 LEU H 1 17 LEU QB . . 3.480 1.973 1.967 1.977 . 0 0 "[ . 1 . 2]" 1
227 1 17 LEU H 1 17 LEU MD1 . . 5.350 4.287 4.218 4.317 . 0 0 "[ . 1 . 2]" 1
228 1 17 LEU H 1 17 LEU HG . . 3.490 3.479 3.409 3.505 0.015 8 0 "[ . 1 . 2]" 1
229 1 17 LEU H 1 18 ALA H . . 2.870 2.655 2.636 2.667 . 0 0 "[ . 1 . 2]" 1
230 1 17 LEU HA 1 18 ALA H . . 3.610 3.518 3.506 3.563 . 0 0 "[ . 1 . 2]" 1
231 1 17 LEU QB 1 18 ALA H . . 3.960 3.470 3.376 3.499 . 0 0 "[ . 1 . 2]" 1
232 1 17 LEU MD1 1 18 ALA H . . 5.230 3.979 3.800 4.059 . 0 0 "[ . 1 . 2]" 1
233 1 17 LEU MD2 1 18 ALA H . . 6.530 4.061 3.821 4.294 . 0 0 "[ . 1 . 2]" 1
234 1 17 LEU HG 1 18 ALA H . . 3.860 2.837 2.571 2.920 . 0 0 "[ . 1 . 2]" 1
235 1 17 LEU HG 1 18 ALA MB . . 4.480 3.236 2.603 3.444 . 0 0 "[ . 1 . 2]" 1
236 1 18 ALA H 1 18 ALA HA . . 2.830 2.876 2.853 2.926 0.096 16 0 "[ . 1 . 2]" 1
237 1 18 ALA H 1 18 ALA MB . . 3.430 2.113 1.979 2.256 . 0 0 "[ . 1 . 2]" 1
238 1 18 ALA H 1 19 GLY H . . 2.990 2.577 2.519 2.680 . 0 0 "[ . 1 . 2]" 1
239 1 18 ALA HA 1 19 GLY H . . 3.550 3.267 3.112 3.378 . 0 0 "[ . 1 . 2]" 1
240 1 19 GLY H 1 19 GLY HA2 . . 2.830 2.288 2.246 2.937 0.107 16 0 "[ . 1 . 2]" 1
241 1 19 GLY H 1 19 GLY HA3 . . 2.830 2.804 2.597 2.895 0.065 20 0 "[ . 1 . 2]" 1
242 1 19 GLY QA 1 21 LYS H . . 5.140 4.590 3.185 4.781 . 0 0 "[ . 1 . 2]" 1
243 1 20 ARG H 1 20 ARG HB2 . . 3.890 2.689 2.233 3.322 . 0 0 "[ . 1 . 2]" 1
244 1 20 ARG H 1 20 ARG QB . . 3.500 2.619 2.203 3.146 . 0 0 "[ . 1 . 2]" 1
245 1 20 ARG H 1 20 ARG HB3 . . 3.890 3.657 3.252 3.937 0.047 3 0 "[ . 1 . 2]" 1
246 1 20 ARG H 1 21 LYS H . . 5.100 3.762 2.276 4.311 . 0 0 "[ . 1 . 2]" 1
247 1 20 ARG HA 1 20 ARG QD . . 4.800 3.319 1.998 4.022 . 0 0 "[ . 1 . 2]" 1
248 1 20 ARG HA 1 20 ARG QG . . 3.660 2.177 1.960 2.569 . 0 0 "[ . 1 . 2]" 1
249 1 20 ARG HA 1 21 LYS H . . 2.930 2.316 2.256 3.019 0.089 16 0 "[ . 1 . 2]" 1
250 1 20 ARG QB 1 20 ARG QD . . 3.350 2.156 1.950 2.418 . 0 0 "[ . 1 . 2]" 1
251 1 20 ARG QB 1 21 LYS H . . 4.370 3.859 3.726 3.937 . 0 0 "[ . 1 . 2]" 1
252 1 20 ARG HB2 1 21 LYS H . . 4.940 4.693 4.495 4.737 . 0 0 "[ . 1 . 2]" 1
253 1 20 ARG HB3 1 21 LYS H . . 4.940 4.106 3.939 4.208 . 0 0 "[ . 1 . 2]" 1
254 1 20 ARG QG 1 21 LYS H . . 6.380 3.946 3.644 4.611 . 0 0 "[ . 1 . 2]" 1
255 1 21 LYS H 1 21 LYS HB2 . . 3.890 3.190 2.384 3.559 . 0 0 "[ . 1 . 2]" 1
256 1 21 LYS H 1 21 LYS QB . . 3.370 2.439 2.207 2.890 . 0 0 "[ . 1 . 2]" 1
257 1 21 LYS H 1 21 LYS HB3 . . 3.890 2.798 2.232 3.566 . 0 0 "[ . 1 . 2]" 1
258 1 21 LYS HA 1 100 PHE QE . . 7.620 4.701 3.266 6.148 . 0 0 "[ . 1 . 2]" 1
259 1 22 THR H 1 23 ILE H . . 5.100 4.456 4.348 4.611 . 0 0 "[ . 1 . 2]" 1
260 1 22 THR HA 1 22 THR HB . . 3.020 3.055 3.004 3.066 0.046 19 0 "[ . 1 . 2]" 1
261 1 22 THR HA 1 22 THR MG . . 3.430 2.421 2.159 2.726 . 0 0 "[ . 1 . 2]" 1
262 1 22 THR HA 1 23 ILE H . . 3.080 2.303 2.151 2.387 . 0 0 "[ . 1 . 2]" 1
263 1 22 THR HA 1 100 PHE H . . 5.230 5.105 5.020 5.184 . 0 0 "[ . 1 . 2]" 1
264 1 22 THR HB 1 23 ILE H . . 5.500 4.050 3.882 4.291 . 0 0 "[ . 1 . 2]" 1
265 1 22 THR MG 1 23 ILE H . . 5.190 2.215 1.917 2.857 . 0 0 "[ . 1 . 2]" 1
266 1 22 THR MG 1 68 GLU H . . 4.980 3.980 3.468 4.282 . 0 0 "[ . 1 . 2]" 1
267 1 22 THR MG 1 68 GLU HA . . 5.690 4.509 3.910 4.726 . 0 0 "[ . 1 . 2]" 1
268 1 22 THR MG 1 68 GLU QG . . 4.800 2.795 2.084 3.275 . 0 0 "[ . 1 . 2]" 1
269 1 22 THR MG 1 100 PHE H . . 6.530 5.258 4.983 5.416 . 0 0 "[ . 1 . 2]" 1
270 1 23 ILE H 1 23 ILE HB . . 3.950 3.042 2.884 3.249 . 0 0 "[ . 1 . 2]" 1
271 1 23 ILE H 1 23 ILE HG12 . . 5.030 2.933 2.072 3.526 . 0 0 "[ . 1 . 2]" 1
272 1 23 ILE H 1 23 ILE QG . . 4.620 2.005 1.797 2.248 . 0 0 "[ . 1 . 2]" 1
273 1 23 ILE H 1 23 ILE HG13 . . 5.030 2.076 1.945 2.274 . 0 0 "[ . 1 . 2]" 1
274 1 23 ILE H 1 24 THR H . . 4.540 4.574 4.554 4.582 0.042 17 0 "[ . 1 . 2]" 1
275 1 23 ILE H 1 99 GLU HB2 . . 5.800 5.735 5.604 5.879 0.079 7 0 "[ . 1 . 2]" 1
276 1 23 ILE HA 1 23 ILE QG . . 3.880 2.902 2.761 3.066 . 0 0 "[ . 1 . 2]" 1
277 1 23 ILE HA 1 24 THR H . . 2.680 2.396 2.313 2.467 . 0 0 "[ . 1 . 2]" 1
278 1 23 ILE HA 1 99 GLU HA . . 3.490 1.860 1.761 2.022 . 0 0 "[ . 1 . 2]" 1
279 1 23 ILE HA 1 100 PHE H . . 4.540 3.243 2.818 3.526 . 0 0 "[ . 1 . 2]" 1
280 1 23 ILE HA 1 100 PHE QD . . 7.530 4.132 3.070 5.054 . 0 0 "[ . 1 . 2]" 1
281 1 23 ILE HB 1 23 ILE MD . . 3.430 2.208 1.978 2.553 . 0 0 "[ . 1 . 2]" 1
282 1 23 ILE HB 1 24 THR H . . 3.080 3.177 3.135 3.224 0.144 6 0 "[ . 1 . 2]" 1
283 1 23 ILE MD 1 24 THR H . . 6.530 4.687 4.519 4.964 . 0 0 "[ . 1 . 2]" 1
284 1 23 ILE QG 1 24 THR H . . 5.300 4.496 4.396 4.581 . 0 0 "[ . 1 . 2]" 1
285 1 23 ILE HG12 1 24 THR H . . 5.500 5.126 4.872 5.299 . 0 0 "[ . 1 . 2]" 1
286 1 23 ILE HG13 1 24 THR H . . 5.500 4.983 4.841 5.094 . 0 0 "[ . 1 . 2]" 1
287 1 23 ILE MG 1 24 THR H . . 4.140 2.330 1.949 2.816 . 0 0 "[ . 1 . 2]" 1
288 1 23 ILE MG 1 99 GLU HA . . 4.300 2.153 1.939 2.731 . 0 0 "[ . 1 . 2]" 1
289 1 23 ILE MG 1 99 GLU HB2 . . 5.350 1.865 1.828 1.920 . 0 0 "[ . 1 . 2]" 1
290 1 23 ILE MG 1 99 GLU HB3 . . 4.300 3.175 3.074 3.336 . 0 0 "[ . 1 . 2]" 1
291 1 23 ILE MG 1 100 PHE H . . 6.250 4.025 3.877 4.426 . 0 0 "[ . 1 . 2]" 1
292 1 24 THR H 1 24 THR HB . . 3.980 3.792 3.719 3.888 . 0 0 "[ . 1 . 2]" 1
293 1 24 THR H 1 24 THR MG . . 3.800 2.606 2.342 2.996 . 0 0 "[ . 1 . 2]" 1
294 1 24 THR H 1 25 ILE HA . . 5.410 4.751 4.619 4.880 . 0 0 "[ . 1 . 2]" 1
295 1 24 THR H 1 99 GLU HA . . 4.350 3.014 2.821 3.236 . 0 0 "[ . 1 . 2]" 1
296 1 24 THR H 1 99 GLU HB2 . . 4.660 4.636 4.394 4.722 0.062 4 0 "[ . 1 . 2]" 1
297 1 24 THR H 1 100 PHE QD . . 7.620 4.438 3.688 5.490 . 0 0 "[ . 1 . 2]" 1
298 1 24 THR HA 1 24 THR HB . . 2.400 2.452 2.398 2.523 0.123 18 0 "[ . 1 . 2]" 1
299 1 24 THR HA 1 24 THR MG . . 3.430 2.548 2.358 2.640 . 0 0 "[ . 1 . 2]" 1
300 1 24 THR HA 1 25 ILE H . . 2.680 2.533 2.426 2.568 . 0 0 "[ . 1 . 2]" 1
301 1 24 THR HA 1 97 VAL MG1 . . 4.820 3.908 3.812 3.961 . 0 0 "[ . 1 . 2]" 1
302 1 24 THR HA 1 97 VAL MG2 . . 6.120 4.914 4.683 5.042 . 0 0 "[ . 1 . 2]" 1
303 1 24 THR HA 1 98 ILE H . . 4.600 4.479 4.293 4.629 0.029 12 0 "[ . 1 . 2]" 1
304 1 24 THR HB 1 25 ILE H . . 4.790 2.461 2.374 2.664 . 0 0 "[ . 1 . 2]" 1
305 1 24 THR MG 1 25 ILE H . . 6.530 3.935 3.809 4.032 . 0 0 "[ . 1 . 2]" 1
306 1 25 ILE H 1 25 ILE HB . . 3.110 2.709 2.648 2.781 . 0 0 "[ . 1 . 2]" 1
307 1 25 ILE H 1 25 ILE HG12 . . 5.500 4.407 4.274 4.573 . 0 0 "[ . 1 . 2]" 1
308 1 25 ILE H 1 25 ILE QG . . 4.880 3.376 3.249 3.564 . 0 0 "[ . 1 . 2]" 1
309 1 25 ILE H 1 25 ILE HG13 . . 5.500 3.507 3.367 3.756 . 0 0 "[ . 1 . 2]" 1
310 1 25 ILE HA 1 25 ILE MD . . 4.140 3.411 3.247 3.484 . 0 0 "[ . 1 . 2]" 1
311 1 25 ILE HA 1 25 ILE HG12 . . 3.670 3.513 3.427 3.636 . 0 0 "[ . 1 . 2]" 1
312 1 25 ILE HA 1 25 ILE QG . . 3.440 2.370 2.288 2.438 . 0 0 "[ . 1 . 2]" 1
313 1 25 ILE HA 1 25 ILE HG13 . . 3.670 2.410 2.323 2.482 . 0 0 "[ . 1 . 2]" 1
314 1 25 ILE HA 1 25 ILE MG . . 3.430 2.384 2.277 2.496 . 0 0 "[ . 1 . 2]" 1
315 1 25 ILE HA 1 26 ARG H . . 2.400 2.234 2.182 2.269 . 0 0 "[ . 1 . 2]" 1
316 1 25 ILE HA 1 97 VAL HA . . 3.580 1.960 1.890 2.135 . 0 0 "[ . 1 . 2]" 1
317 1 25 ILE HA 1 97 VAL MG2 . . 5.100 2.437 2.188 2.611 . 0 0 "[ . 1 . 2]" 1
318 1 25 ILE HA 1 98 ILE H . . 4.040 3.337 3.122 3.545 . 0 0 "[ . 1 . 2]" 1
319 1 25 ILE HB 1 25 ILE MD . . 3.430 2.164 2.106 2.197 . 0 0 "[ . 1 . 2]" 1
320 1 25 ILE HB 1 26 ARG H . . 4.450 4.120 3.984 4.355 . 0 0 "[ . 1 . 2]" 1
321 1 25 ILE MD 1 26 ARG H . . 6.060 5.030 4.915 5.112 . 0 0 "[ . 1 . 2]" 1
322 1 25 ILE MD 1 66 LEU QD . . 6.960 2.085 1.823 2.380 . 0 0 "[ . 1 . 2]" 1
323 1 25 ILE MD 1 66 LEU HG . . 4.880 3.701 3.312 3.933 . 0 0 "[ . 1 . 2]" 1
324 1 25 ILE MD 1 97 VAL HA . . 5.910 4.432 4.049 4.627 . 0 0 "[ . 1 . 2]" 1
325 1 25 ILE QG 1 26 ARG H . . 6.380 4.210 4.147 4.277 . 0 0 "[ . 1 . 2]" 1
326 1 25 ILE QG 1 66 LEU QD . . 7.710 2.234 1.886 2.525 . 0 0 "[ . 1 . 2]" 1
327 1 25 ILE QG 1 66 LEU HG . . 4.930 3.690 3.376 4.100 . 0 0 "[ . 1 . 2]" 1
328 1 25 ILE QG 1 97 VAL MG1 . . 4.870 2.496 2.223 2.957 . 0 0 "[ . 1 . 2]" 1
329 1 25 ILE QG 1 97 VAL MG2 . . 6.040 1.847 1.730 1.970 . 0 0 "[ . 1 . 2]" 1
330 1 25 ILE HG12 1 25 ILE MG . . 3.430 2.152 2.002 2.285 . 0 0 "[ . 1 . 2]" 1
331 1 25 ILE HG12 1 66 LEU HG . . 5.500 4.076 3.696 4.564 . 0 0 "[ . 1 . 2]" 1
332 1 25 ILE HG13 1 25 ILE MG . . 3.430 2.730 2.551 2.814 . 0 0 "[ . 1 . 2]" 1
333 1 25 ILE HG13 1 66 LEU HG . . 5.500 4.225 3.902 4.642 . 0 0 "[ . 1 . 2]" 1
334 1 25 ILE MG 1 26 ARG H . . 3.580 2.338 2.064 2.769 . 0 0 "[ . 1 . 2]" 1
335 1 25 ILE MG 1 66 LEU QD . . 6.740 3.927 3.649 4.058 . 0 0 "[ . 1 . 2]" 1
336 1 25 ILE MG 1 95 PHE HA . . 5.290 4.370 4.037 4.513 . 0 0 "[ . 1 . 2]" 1
337 1 25 ILE MG 1 95 PHE QB . . 5.260 2.116 1.867 2.561 . 0 0 "[ . 1 . 2]" 1
338 1 25 ILE MG 1 95 PHE QD . . 8.650 2.966 1.893 3.626 . 0 0 "[ . 1 . 2]" 1
339 1 25 ILE MG 1 97 VAL H . . 6.120 4.716 4.477 4.927 . 0 0 "[ . 1 . 2]" 1
340 1 25 ILE MG 1 97 VAL HA . . 6.530 3.545 3.385 3.783 . 0 0 "[ . 1 . 2]" 1
341 1 26 ARG H 1 26 ARG HB2 . . 3.890 3.240 2.901 3.473 . 0 0 "[ . 1 . 2]" 1
342 1 26 ARG H 1 26 ARG QB . . 3.710 3.067 2.818 3.217 . 0 0 "[ . 1 . 2]" 1
343 1 26 ARG H 1 26 ARG HB3 . . 3.890 3.807 3.747 3.870 . 0 0 "[ . 1 . 2]" 1
344 1 26 ARG H 1 26 ARG HG2 . . 5.500 2.101 1.931 2.396 . 0 0 "[ . 1 . 2]" 1
345 1 26 ARG H 1 26 ARG HG3 . . 5.500 3.704 3.560 3.829 . 0 0 "[ . 1 . 2]" 1
346 1 26 ARG H 1 96 TYR H . . 3.800 3.607 3.259 3.897 0.097 7 0 "[ . 1 . 2]" 1
347 1 26 ARG H 1 97 VAL HA . . 4.540 3.144 2.907 3.304 . 0 0 "[ . 1 . 2]" 1
348 1 26 ARG H 1 97 VAL MG2 . . 6.220 3.627 3.426 3.823 . 0 0 "[ . 1 . 2]" 1
349 1 26 ARG HA 1 27 ASP H . . 2.830 2.603 2.518 2.614 . 0 0 "[ . 1 . 2]" 1
350 1 26 ARG HA 1 27 ASP HA . . 4.660 4.348 4.319 4.372 . 0 0 "[ . 1 . 2]" 1
351 1 26 ARG HA 1 27 ASP HB2 . . 4.690 4.616 4.485 4.727 0.037 3 0 "[ . 1 . 2]" 1
352 1 26 ARG HA 1 27 ASP QB . . 4.470 4.128 4.082 4.165 . 0 0 "[ . 1 . 2]" 1
353 1 26 ARG HA 1 27 ASP HB3 . . 4.690 4.657 4.529 4.808 0.118 20 0 "[ . 1 . 2]" 1
354 1 26 ARG HA 1 98 ILE QG . . 6.380 5.155 5.055 5.264 . 0 0 "[ . 1 . 2]" 1
355 1 26 ARG QB 1 26 ARG QG . . 2.260 2.052 2.050 2.054 . 0 0 "[ . 1 . 2]" 1
356 1 26 ARG QB 1 27 ASP H . . 2.880 2.441 2.356 2.579 . 0 0 "[ . 1 . 2]" 1
357 1 26 ARG QB 1 98 ILE MD . . 5.830 4.178 4.061 4.330 . 0 0 "[ . 1 . 2]" 1
358 1 26 ARG HB2 1 27 ASP H . . 3.080 2.732 2.519 3.106 0.026 13 0 "[ . 1 . 2]" 1
359 1 26 ARG HB3 1 27 ASP H . . 3.080 2.794 2.441 3.084 0.004 12 0 "[ . 1 . 2]" 1
360 1 26 ARG QD 1 27 ASP H . . 5.950 4.760 3.951 5.245 . 0 0 "[ . 1 . 2]" 1
361 1 26 ARG QD 1 98 ILE MD . . 7.410 4.031 3.577 5.123 . 0 0 "[ . 1 . 2]" 1
362 1 26 ARG QG 1 30 GLU QB . . 7.250 5.819 5.793 5.856 . 0 0 "[ . 1 . 2]" 1
363 1 26 ARG QG 1 96 TYR H . . 5.690 4.732 4.624 4.984 . 0 0 "[ . 1 . 2]" 1
364 1 27 ASP HA 1 28 GLU H . . 3.360 2.277 2.266 2.295 . 0 0 "[ . 1 . 2]" 1
365 1 27 ASP QB 1 28 GLU H . . 4.250 3.783 3.741 3.819 . 0 0 "[ . 1 . 2]" 1
366 1 28 GLU H 1 28 GLU HB2 . . 2.830 2.639 2.529 2.708 . 0 0 "[ . 1 . 2]" 1
367 1 28 GLU H 1 28 GLU HB3 . . 2.930 2.325 2.266 2.433 . 0 0 "[ . 1 . 2]" 1
368 1 28 GLU H 1 28 GLU HG2 . . 5.500 4.573 4.553 4.596 . 0 0 "[ . 1 . 2]" 1
369 1 28 GLU H 1 28 GLU QG . . 4.950 3.939 3.902 3.996 . 0 0 "[ . 1 . 2]" 1
370 1 28 GLU H 1 28 GLU HG3 . . 5.500 4.300 4.243 4.392 . 0 0 "[ . 1 . 2]" 1
371 1 28 GLU H 1 29 SER H . . 3.210 2.838 2.705 2.966 . 0 0 "[ . 1 . 2]" 1
372 1 28 GLU H 1 96 TYR QE . . 7.450 5.874 5.369 6.199 . 0 0 "[ . 1 . 2]" 1
373 1 28 GLU HA 1 28 GLU HB2 . . 3.050 2.376 2.345 2.414 . 0 0 "[ . 1 . 2]" 1
374 1 28 GLU HA 1 28 GLU HG2 . . 3.950 3.868 3.812 3.914 . 0 0 "[ . 1 . 2]" 1
375 1 28 GLU HA 1 28 GLU QG . . 3.600 3.146 3.099 3.193 . 0 0 "[ . 1 . 2]" 1
376 1 28 GLU HA 1 28 GLU HG3 . . 3.950 3.331 3.276 3.389 . 0 0 "[ . 1 . 2]" 1
377 1 28 GLU HA 1 30 GLU H . . 5.500 3.602 3.449 3.831 . 0 0 "[ . 1 . 2]" 1
378 1 28 GLU HA 1 31 SER H . . 3.700 3.053 2.867 3.338 . 0 0 "[ . 1 . 2]" 1
379 1 28 GLU HA 1 31 SER HB2 . . 3.140 2.773 1.980 3.186 0.046 15 0 "[ . 1 . 2]" 1
380 1 28 GLU HA 1 31 SER HB3 . . 3.140 2.858 1.990 3.185 0.045 11 0 "[ . 1 . 2]" 1
381 1 28 GLU HA 1 96 TYR QD . . 7.270 3.851 2.728 4.341 . 0 0 "[ . 1 . 2]" 1
382 1 28 GLU HA 1 96 TYR QE . . 6.800 4.683 3.962 5.106 . 0 0 "[ . 1 . 2]" 1
383 1 28 GLU HB2 1 29 SER H . . 4.070 4.078 3.969 4.141 0.071 15 0 "[ . 1 . 2]" 1
384 1 28 GLU HB2 1 96 TYR QE . . 7.630 3.808 3.159 4.152 . 0 0 "[ . 1 . 2]" 1
385 1 28 GLU HB3 1 28 GLU HG2 . . 2.400 2.465 2.443 2.484 0.084 15 0 "[ . 1 . 2]" 1
386 1 28 GLU HB3 1 28 GLU HG3 . . 2.400 2.490 2.470 2.512 0.112 6 0 "[ . 1 . 2]" 1
387 1 28 GLU HB3 1 29 SER H . . 4.570 2.769 2.592 2.901 . 0 0 "[ . 1 . 2]" 1
388 1 28 GLU HB3 1 96 TYR QE . . 6.490 5.380 4.784 5.713 . 0 0 "[ . 1 . 2]" 1
389 1 28 GLU QG 1 30 GLU H . . 6.380 4.653 4.519 4.849 . 0 0 "[ . 1 . 2]" 1
390 1 28 GLU QG 1 96 TYR QE . . 7.640 4.443 3.776 4.997 . 0 0 "[ . 1 . 2]" 1
391 1 28 GLU HG2 1 29 SER H . . 5.500 4.551 4.199 4.841 . 0 0 "[ . 1 . 2]" 1
392 1 28 GLU HG3 1 29 SER H . . 5.500 3.379 2.979 3.693 . 0 0 "[ . 1 . 2]" 1
393 1 29 SER H 1 29 SER QB . . 3.460 2.176 2.018 2.464 . 0 0 "[ . 1 . 2]" 1
394 1 29 SER H 1 30 GLU H . . 3.210 2.666 2.599 2.714 . 0 0 "[ . 1 . 2]" 1
395 1 29 SER HA 1 29 SER QB . . 2.600 2.230 2.188 2.397 . 0 0 "[ . 1 . 2]" 1
396 1 30 GLU H 1 30 GLU HB2 . . 3.640 2.477 2.411 2.591 . 0 0 "[ . 1 . 2]" 1
397 1 30 GLU H 1 30 GLU HB3 . . 3.640 3.594 3.503 3.666 0.026 10 0 "[ . 1 . 2]" 1
398 1 30 GLU H 1 31 SER H . . 2.900 2.220 2.010 2.499 . 0 0 "[ . 1 . 2]" 1
399 1 30 GLU QG 1 31 SER H . . 6.380 4.619 4.540 4.676 . 0 0 "[ . 1 . 2]" 1
400 1 31 SER H 1 31 SER HA . . 2.830 2.718 2.617 2.917 0.087 3 0 "[ . 1 . 2]" 1
401 1 31 SER H 1 31 SER HB2 . . 3.300 2.958 2.505 3.287 . 0 0 "[ . 1 . 2]" 1
402 1 31 SER H 1 31 SER HB3 . . 3.300 2.322 2.028 3.041 . 0 0 "[ . 1 . 2]" 1
403 1 31 SER H 1 32 HIS H . . 4.540 4.342 3.901 4.672 0.132 19 0 "[ . 1 . 2]" 1
404 1 31 SER HA 1 31 SER HB2 . . 2.930 2.387 2.255 2.771 . 0 0 "[ . 1 . 2]" 1
405 1 31 SER HA 1 31 SER QB . . 2.670 2.277 2.171 2.546 . 0 0 "[ . 1 . 2]" 1
406 1 31 SER HA 1 31 SER HB3 . . 2.930 2.907 2.791 3.042 0.112 20 0 "[ . 1 . 2]" 1
407 1 31 SER HA 1 96 TYR QE . . 7.630 5.817 5.335 6.355 . 0 0 "[ . 1 . 2]" 1
408 1 31 SER HB2 1 96 TYR QE . . 7.630 4.685 4.175 5.580 . 0 0 "[ . 1 . 2]" 1
409 1 31 SER HB3 1 96 TYR QE . . 7.630 5.243 3.422 6.056 . 0 0 "[ . 1 . 2]" 1
410 1 32 HIS H 1 33 PHE H . . 3.980 3.927 3.683 4.066 0.086 17 0 "[ . 1 . 2]" 1
411 1 32 HIS HA 1 32 HIS HB2 . . 2.400 2.466 2.392 2.554 0.154 10 0 "[ . 1 . 2]" 1
412 1 32 HIS HA 1 32 HIS HB3 . . 2.400 2.405 2.329 2.477 0.077 17 0 "[ . 1 . 2]" 1
413 1 32 HIS HA 1 33 PHE H . . 3.170 2.909 2.186 3.348 0.178 15 0 "[ . 1 . 2]" 1
414 1 32 HIS HB2 1 33 PHE H . . 4.140 2.459 1.896 3.660 . 0 0 "[ . 1 . 2]" 1
415 1 32 HIS HB3 1 33 PHE H . . 4.140 3.628 3.323 4.274 0.134 12 0 "[ . 1 . 2]" 1
416 1 33 PHE H 1 33 PHE HB2 . . 3.270 2.646 1.955 3.201 . 0 0 "[ . 1 . 2]" 1
417 1 33 PHE H 1 33 PHE QB . . 3.050 2.524 1.941 2.893 . 0 0 "[ . 1 . 2]" 1
418 1 33 PHE H 1 33 PHE HB3 . . 3.370 3.404 3.299 3.510 0.140 19 0 "[ . 1 . 2]" 1
419 1 33 PHE H 1 34 LYS H . . 4.910 4.288 2.590 4.670 . 0 0 "[ . 1 . 2]" 1
420 1 33 PHE HA 1 34 LYS H . . 3.580 2.857 2.471 3.641 0.061 19 0 "[ . 1 . 2]" 1
421 1 33 PHE QB 1 34 LYS H . . 3.190 2.137 1.895 2.521 . 0 0 "[ . 1 . 2]" 1
422 1 33 PHE HB2 1 34 LYS H . . 3.520 3.289 1.904 3.675 0.155 15 0 "[ . 1 . 2]" 1
423 1 33 PHE HB3 1 34 LYS H . . 3.520 2.319 1.938 3.472 . 0 0 "[ . 1 . 2]" 1
424 1 33 PHE QD 1 34 LYS H . . 7.370 3.180 2.317 4.188 . 0 0 "[ . 1 . 2]" 1
425 1 33 PHE QD 1 37 ASP HA . . 7.060 5.496 4.282 6.143 . 0 0 "[ . 1 . 2]" 1
426 1 33 PHE QD 1 37 ASP HB2 . . 7.400 3.633 2.927 4.476 . 0 0 "[ . 1 . 2]" 1
427 1 33 PHE QD 1 37 ASP HB3 . . 7.340 3.176 1.994 3.877 . 0 0 "[ . 1 . 2]" 1
428 1 33 PHE QD 1 39 LEU MD1 . . 6.980 4.321 2.624 5.235 . 0 0 "[ . 1 . 2]" 1
429 1 33 PHE QD 1 39 LEU QD . . 6.640 2.910 2.474 3.304 . 0 0 "[ . 1 . 2]" 1
430 1 33 PHE QD 1 39 LEU MD2 . . 6.980 3.170 2.481 4.980 . 0 0 "[ . 1 . 2]" 1
431 1 33 PHE QE 1 37 ASP HB2 . . 7.620 4.833 2.795 6.493 . 0 0 "[ . 1 . 2]" 1
432 1 33 PHE QE 1 39 LEU MD1 . . 8.650 5.326 3.668 6.645 . 0 0 "[ . 1 . 2]" 1
433 1 33 PHE QE 1 39 LEU MD2 . . 8.650 3.986 1.996 6.346 . 0 0 "[ . 1 . 2]" 1
434 1 34 LYS H 1 34 LYS HA . . 2.900 2.894 2.718 2.939 0.039 8 0 "[ . 1 . 2]" 1
435 1 34 LYS H 1 34 LYS HD2 . . 5.500 4.416 2.564 5.513 0.013 5 0 "[ . 1 . 2]" 1
436 1 34 LYS H 1 34 LYS HD3 . . 5.500 4.488 2.834 5.303 . 0 0 "[ . 1 . 2]" 1
437 1 34 LYS H 1 34 LYS HG2 . . 4.690 3.501 2.236 4.739 0.049 20 0 "[ . 1 . 2]" 1
438 1 34 LYS H 1 34 LYS QG . . 4.390 2.981 2.220 3.679 . 0 0 "[ . 1 . 2]" 1
439 1 34 LYS H 1 34 LYS HG3 . . 4.690 3.654 2.378 4.565 . 0 0 "[ . 1 . 2]" 1
440 1 34 LYS H 1 35 THR H . . 4.570 4.324 4.268 4.414 . 0 0 "[ . 1 . 2]" 1
441 1 34 LYS H 1 37 ASP H . . 5.500 4.571 4.051 5.246 . 0 0 "[ . 1 . 2]" 1
442 1 34 LYS H 1 37 ASP HB2 . . 5.160 2.934 2.416 3.571 . 0 0 "[ . 1 . 2]" 1
443 1 34 LYS H 1 37 ASP HB3 . . 4.570 3.863 3.164 4.591 0.021 3 0 "[ . 1 . 2]" 1
444 1 34 LYS H 1 55 VAL MG1 . . 6.530 5.127 4.606 5.295 . 0 0 "[ . 1 . 2]" 1
445 1 34 LYS HA 1 34 LYS HD2 . . 5.500 4.089 1.980 5.342 . 0 0 "[ . 1 . 2]" 1
446 1 34 LYS HA 1 34 LYS HD3 . . 5.500 3.954 1.998 5.381 . 0 0 "[ . 1 . 2]" 1
447 1 34 LYS HB2 1 35 THR H . . 3.860 2.908 1.941 3.871 0.011 10 0 "[ . 1 . 2]" 1
448 1 34 LYS HB3 1 35 THR H . . 3.860 2.821 1.874 3.882 0.022 3 0 "[ . 1 . 2]" 1
449 1 34 LYS HG2 1 35 THR H . . 5.500 4.142 2.992 5.330 . 0 0 "[ . 1 . 2]" 1
450 1 34 LYS HG3 1 35 THR H . . 5.500 4.061 2.802 4.998 . 0 0 "[ . 1 . 2]" 1
451 1 35 THR H 1 35 THR HB . . 2.490 2.522 2.447 2.588 0.098 18 0 "[ . 1 . 2]" 1
452 1 35 THR H 1 35 THR MG . . 4.360 3.687 3.657 3.764 . 0 0 "[ . 1 . 2]" 1
453 1 35 THR H 1 36 GLY H . . 5.100 4.635 4.589 4.653 . 0 0 "[ . 1 . 2]" 1
454 1 35 THR H 1 55 VAL MG1 . . 6.530 4.406 4.060 4.963 . 0 0 "[ . 1 . 2]" 1
455 1 35 THR HA 1 35 THR MG . . 3.430 2.255 2.183 2.402 . 0 0 "[ . 1 . 2]" 1
456 1 35 THR HA 1 36 GLY H . . 2.400 2.359 2.230 2.475 0.075 20 0 "[ . 1 . 2]" 1
457 1 35 THR HA 1 36 GLY HA2 . . 5.070 4.507 4.439 4.555 . 0 0 "[ . 1 . 2]" 1
458 1 35 THR HA 1 36 GLY QA . . 4.850 4.015 3.950 4.071 . 0 0 "[ . 1 . 2]" 1
459 1 35 THR HA 1 36 GLY HA3 . . 5.070 4.508 4.429 4.585 . 0 0 "[ . 1 . 2]" 1
460 1 35 THR HA 1 37 ASP H . . 3.360 3.051 2.962 3.161 . 0 0 "[ . 1 . 2]" 1
461 1 35 THR HA 1 55 VAL HB . . 5.190 2.058 1.915 2.478 . 0 0 "[ . 1 . 2]" 1
462 1 35 THR HA 1 55 VAL MG1 . . 3.430 2.497 2.262 2.756 . 0 0 "[ . 1 . 2]" 1
463 1 35 THR HA 1 55 VAL MG2 . . 6.220 2.846 2.682 3.089 . 0 0 "[ . 1 . 2]" 1
464 1 35 THR HB 1 36 GLY H . . 4.690 3.744 3.491 4.013 . 0 0 "[ . 1 . 2]" 1
465 1 35 THR MG 1 36 GLY H . . 3.710 2.164 1.999 2.369 . 0 0 "[ . 1 . 2]" 1
466 1 35 THR MG 1 36 GLY QA . . 6.970 3.283 3.158 3.480 . 0 0 "[ . 1 . 2]" 1
467 1 35 THR MG 1 37 ASP H . . 6.530 4.184 3.938 4.369 . 0 0 "[ . 1 . 2]" 1
468 1 35 THR MG 1 55 VAL HA . . 6.530 4.396 4.201 4.635 . 0 0 "[ . 1 . 2]" 1
469 1 35 THR MG 1 55 VAL MG1 . . 5.850 2.519 2.132 2.812 . 0 0 "[ . 1 . 2]" 1
470 1 35 THR MG 1 55 VAL MG2 . . 5.930 3.846 3.786 3.933 . 0 0 "[ . 1 . 2]" 1
471 1 36 GLY H 1 36 GLY HA2 . . 2.900 2.278 2.246 2.324 . 0 0 "[ . 1 . 2]" 1
472 1 36 GLY H 1 36 GLY HA3 . . 2.900 2.875 2.798 2.927 0.027 9 0 "[ . 1 . 2]" 1
473 1 36 GLY H 1 37 ASP H . . 3.020 2.686 2.507 2.747 . 0 0 "[ . 1 . 2]" 1
474 1 36 GLY H 1 55 VAL HB . . 4.170 2.004 1.906 2.301 . 0 0 "[ . 1 . 2]" 1
475 1 36 GLY H 1 55 VAL MG1 . . 4.730 3.558 3.342 3.808 . 0 0 "[ . 1 . 2]" 1
476 1 36 GLY H 1 55 VAL MG2 . . 6.530 3.112 2.602 3.400 . 0 0 "[ . 1 . 2]" 1
477 1 36 GLY QA 1 37 ASP H . . 3.220 2.960 2.946 2.965 . 0 0 "[ . 1 . 2]" 1
478 1 37 ASP H 1 37 ASP HB2 . . 3.580 2.155 2.041 2.445 . 0 0 "[ . 1 . 2]" 1
479 1 37 ASP H 1 37 ASP HB3 . . 3.330 3.290 3.204 3.371 0.041 6 0 "[ . 1 . 2]" 1
480 1 37 ASP H 1 38 VAL H . . 4.940 4.424 4.329 4.518 . 0 0 "[ . 1 . 2]" 1
481 1 37 ASP H 1 55 VAL H . . 4.260 3.625 3.117 3.982 . 0 0 "[ . 1 . 2]" 1
482 1 37 ASP H 1 55 VAL HB . . 3.420 3.068 2.480 3.416 . 0 0 "[ . 1 . 2]" 1
483 1 37 ASP H 1 55 VAL MG1 . . 5.630 4.204 3.901 4.426 . 0 0 "[ . 1 . 2]" 1
484 1 37 ASP H 1 55 VAL MG2 . . 5.130 2.147 1.903 2.413 . 0 0 "[ . 1 . 2]" 1
485 1 37 ASP HA 1 38 VAL H . . 2.960 2.820 2.765 2.851 . 0 0 "[ . 1 . 2]" 1
486 1 37 ASP HA 1 38 VAL HB . . 5.500 4.351 4.275 4.464 . 0 0 "[ . 1 . 2]" 1
487 1 37 ASP HB2 1 38 VAL H . . 4.070 3.554 3.499 3.643 . 0 0 "[ . 1 . 2]" 1
488 1 37 ASP HB2 1 39 LEU MD1 . . 6.530 5.136 4.460 5.365 . 0 0 "[ . 1 . 2]" 1
489 1 37 ASP HB2 1 39 LEU MD2 . . 6.530 5.322 5.155 5.432 . 0 0 "[ . 1 . 2]" 1
490 1 37 ASP HB2 1 55 VAL HB . . 5.500 4.558 4.038 4.909 . 0 0 "[ . 1 . 2]" 1
491 1 37 ASP HB2 1 55 VAL MG1 . . 6.530 4.774 4.486 5.007 . 0 0 "[ . 1 . 2]" 1
492 1 37 ASP HB2 1 55 VAL MG2 . . 5.010 2.798 2.481 3.030 . 0 0 "[ . 1 . 2]" 1
493 1 37 ASP HB3 1 38 VAL H . . 3.730 1.999 1.926 2.127 . 0 0 "[ . 1 . 2]" 1
494 1 37 ASP HB3 1 39 LEU MD1 . . 6.530 4.990 3.738 5.418 . 0 0 "[ . 1 . 2]" 1
495 1 37 ASP HB3 1 39 LEU MD2 . . 6.530 4.807 4.499 5.218 . 0 0 "[ . 1 . 2]" 1
496 1 37 ASP HB3 1 55 VAL MG1 . . 6.530 5.393 5.336 5.433 . 0 0 "[ . 1 . 2]" 1
497 1 37 ASP HB3 1 55 VAL MG2 . . 4.700 3.072 2.977 3.214 . 0 0 "[ . 1 . 2]" 1
498 1 38 VAL H 1 38 VAL HB . . 2.400 2.230 2.171 2.267 . 0 0 "[ . 1 . 2]" 1
499 1 38 VAL H 1 38 VAL MG1 . . 4.760 3.260 3.132 3.364 . 0 0 "[ . 1 . 2]" 1
500 1 38 VAL H 1 38 VAL QG . . 4.030 2.959 2.927 2.992 . 0 0 "[ . 1 . 2]" 1
501 1 38 VAL H 1 38 VAL MG2 . . 4.760 3.398 3.244 3.512 . 0 0 "[ . 1 . 2]" 1
502 1 38 VAL H 1 39 LEU H . . 4.660 4.539 4.509 4.569 . 0 0 "[ . 1 . 2]" 1
503 1 38 VAL H 1 39 LEU QD . . 8.100 4.872 4.114 5.089 . 0 0 "[ . 1 . 2]" 1
504 1 38 VAL H 1 55 VAL MG2 . . 5.160 3.841 3.706 3.950 . 0 0 "[ . 1 . 2]" 1
505 1 38 VAL HA 1 38 VAL MG1 . . 3.640 2.846 2.772 2.915 . 0 0 "[ . 1 . 2]" 1
506 1 38 VAL HA 1 38 VAL MG2 . . 3.640 2.074 1.963 2.170 . 0 0 "[ . 1 . 2]" 1
507 1 38 VAL HA 1 39 LEU H . . 2.520 2.310 2.240 2.359 . 0 0 "[ . 1 . 2]" 1
508 1 38 VAL HA 1 54 GLU HA . . 3.640 2.024 1.944 2.125 . 0 0 "[ . 1 . 2]" 1
509 1 38 VAL HB 1 39 LEU H . . 4.570 4.303 4.206 4.429 . 0 0 "[ . 1 . 2]" 1
510 1 38 VAL QG 1 39 LEU H . . 4.170 2.307 2.100 2.571 . 0 0 "[ . 1 . 2]" 1
511 1 38 VAL QG 1 40 ARG H . . 8.090 3.266 3.080 3.480 . 0 0 "[ . 1 . 2]" 1
512 1 38 VAL QG 1 52 THR HA . . 6.240 3.757 3.528 4.022 . 0 0 "[ . 1 . 2]" 1
513 1 38 VAL QG 1 52 THR HB . . 7.680 3.483 3.219 4.150 . 0 0 "[ . 1 . 2]" 1
514 1 38 VAL QG 1 52 THR MG . . 5.480 1.688 1.583 2.132 . 0 0 "[ . 1 . 2]" 1
515 1 38 VAL QG 1 54 GLU HA . . 4.700 2.816 2.648 3.038 . 0 0 "[ . 1 . 2]" 1
516 1 38 VAL QG 1 54 GLU HB3 . . 6.570 4.312 4.144 4.440 . 0 0 "[ . 1 . 2]" 1
517 1 38 VAL QG 1 54 GLU QG . . 6.740 2.020 1.793 2.439 . 0 0 "[ . 1 . 2]" 1
518 1 38 VAL MG1 1 39 LEU H . . 4.540 2.384 2.132 2.715 . 0 0 "[ . 1 . 2]" 1
519 1 38 VAL MG1 1 52 THR HA . . 6.530 3.887 3.631 4.210 . 0 0 "[ . 1 . 2]" 1
520 1 38 VAL MG1 1 52 THR MG . . 5.910 1.728 1.606 2.256 . 0 0 "[ . 1 . 2]" 1
521 1 38 VAL MG1 1 53 ILE H . . 4.880 3.099 2.913 3.385 . 0 0 "[ . 1 . 2]" 1
522 1 38 VAL MG1 1 54 GLU HA . . 5.130 4.188 4.110 4.260 . 0 0 "[ . 1 . 2]" 1
523 1 38 VAL MG2 1 39 LEU H . . 4.540 3.112 2.900 3.277 . 0 0 "[ . 1 . 2]" 1
524 1 38 VAL MG2 1 52 THR HA . . 6.530 4.995 4.797 5.194 . 0 0 "[ . 1 . 2]" 1
525 1 38 VAL MG2 1 52 THR MG . . 5.910 2.430 2.100 2.725 . 0 0 "[ . 1 . 2]" 1
526 1 38 VAL MG2 1 53 ILE H . . 4.880 3.833 3.687 3.926 . 0 0 "[ . 1 . 2]" 1
527 1 38 VAL MG2 1 54 GLU HA . . 5.130 2.863 2.680 3.113 . 0 0 "[ . 1 . 2]" 1
528 1 39 LEU H 1 39 LEU QB . . 3.650 2.481 2.354 2.565 . 0 0 "[ . 1 . 2]" 1
529 1 39 LEU H 1 39 LEU MD1 . . 5.410 4.042 3.589 4.241 . 0 0 "[ . 1 . 2]" 1
530 1 39 LEU H 1 39 LEU MD2 . . 5.410 4.305 4.206 4.433 . 0 0 "[ . 1 . 2]" 1
531 1 39 LEU H 1 39 LEU HG . . 5.500 3.717 3.510 4.870 . 0 0 "[ . 1 . 2]" 1
532 1 39 LEU H 1 40 ARG H . . 5.500 4.077 3.939 4.200 . 0 0 "[ . 1 . 2]" 1
533 1 39 LEU H 1 40 ARG QB . . 6.380 5.487 5.177 5.698 . 0 0 "[ . 1 . 2]" 1
534 1 39 LEU H 1 52 THR MG . . 4.640 3.268 2.653 3.718 . 0 0 "[ . 1 . 2]" 1
535 1 39 LEU H 1 53 ILE H . . 3.170 2.696 2.396 2.918 . 0 0 "[ . 1 . 2]" 1
536 1 39 LEU H 1 53 ILE HA . . 4.720 4.371 4.274 4.476 . 0 0 "[ . 1 . 2]" 1
537 1 39 LEU H 1 53 ILE MD . . 6.530 3.673 2.517 4.659 . 0 0 "[ . 1 . 2]" 1
538 1 39 LEU H 1 53 ILE MG . . 5.410 4.533 4.438 4.634 . 0 0 "[ . 1 . 2]" 1
539 1 39 LEU H 1 54 GLU HA . . 3.700 2.888 2.551 3.156 . 0 0 "[ . 1 . 2]" 1
540 1 39 LEU H 1 55 VAL H . . 4.450 4.312 3.918 4.495 0.045 20 0 "[ . 1 . 2]" 1
541 1 39 LEU H 1 55 VAL MG2 . . 5.160 3.775 3.568 3.911 . 0 0 "[ . 1 . 2]" 1
542 1 39 LEU HA 1 40 ARG H . . 2.590 2.191 2.177 2.210 . 0 0 "[ . 1 . 2]" 1
543 1 39 LEU HA 1 53 ILE H . . 4.850 4.568 4.469 4.720 . 0 0 "[ . 1 . 2]" 1
544 1 39 LEU QB 1 40 ARG H . . 5.600 3.662 3.548 3.874 . 0 0 "[ . 1 . 2]" 1
545 1 39 LEU QB 1 53 ILE MD . . 7.410 2.383 1.863 3.064 . 0 0 "[ . 1 . 2]" 1
546 1 39 LEU QB 1 53 ILE MG . . 6.970 4.081 3.708 4.291 . 0 0 "[ . 1 . 2]" 1
547 1 39 LEU QB 1 55 VAL MG1 . . 6.130 4.164 4.021 4.331 . 0 0 "[ . 1 . 2]" 1
548 1 39 LEU QD 1 55 VAL MG2 . . 4.870 2.007 1.722 2.390 . 0 0 "[ . 1 . 2]" 1
549 1 39 LEU MD1 1 40 ARG H . . 6.530 5.170 3.089 5.471 . 0 0 "[ . 1 . 2]" 1
550 1 39 LEU MD1 1 55 VAL MG1 . . 5.940 2.220 1.961 3.943 . 0 0 "[ . 1 . 2]" 1
551 1 39 LEU MD1 1 55 VAL MG2 . . 5.600 2.083 1.728 3.056 . 0 0 "[ . 1 . 2]" 1
552 1 39 LEU MD2 1 40 ARG H . . 6.530 3.607 3.081 5.308 . 0 0 "[ . 1 . 2]" 1
553 1 39 LEU MD2 1 55 VAL MG1 . . 5.940 3.818 2.388 4.063 . 0 0 "[ . 1 . 2]" 1
554 1 39 LEU MD2 1 55 VAL MG2 . . 5.600 3.251 2.453 3.469 . 0 0 "[ . 1 . 2]" 1
555 1 39 LEU HG 1 53 ILE MD . . 6.530 4.312 3.615 5.319 . 0 0 "[ . 1 . 2]" 1
556 1 39 LEU HG 1 55 VAL MG1 . . 6.190 3.883 3.445 5.097 . 0 0 "[ . 1 . 2]" 1
557 1 40 ARG H 1 40 ARG HG2 . . 5.500 4.401 3.112 4.655 . 0 0 "[ . 1 . 2]" 1
558 1 40 ARG H 1 40 ARG HG3 . . 5.500 3.859 2.980 4.297 . 0 0 "[ . 1 . 2]" 1
559 1 40 ARG H 1 41 VAL H . . 4.660 4.557 4.419 4.639 . 0 0 "[ . 1 . 2]" 1
560 1 40 ARG HA 1 41 VAL H . . 2.430 2.249 2.226 2.309 . 0 0 "[ . 1 . 2]" 1
561 1 40 ARG HA 1 52 THR HA . . 2.990 2.205 1.964 2.602 . 0 0 "[ . 1 . 2]" 1
562 1 40 ARG HA 1 53 ILE H . . 3.950 3.224 2.842 3.558 . 0 0 "[ . 1 . 2]" 1
563 1 40 ARG HG2 1 41 VAL H . . 5.500 3.792 3.135 4.643 . 0 0 "[ . 1 . 2]" 1
564 1 40 ARG HG3 1 41 VAL H . . 5.500 3.657 2.937 5.297 . 0 0 "[ . 1 . 2]" 1
565 1 41 VAL H 1 41 VAL QG . . 4.200 2.163 1.841 2.866 . 0 0 "[ . 1 . 2]" 1
566 1 41 VAL H 1 49 TYR QD . . 7.640 5.377 4.042 6.870 . 0 0 "[ . 1 . 2]" 1
567 1 41 VAL H 1 51 CYS H . . 3.490 3.413 3.214 3.589 0.099 4 0 "[ . 1 . 2]" 1
568 1 41 VAL H 1 51 CYS HA . . 4.880 4.890 4.708 4.954 0.074 9 0 "[ . 1 . 2]" 1
569 1 41 VAL H 1 52 THR HA . . 3.140 2.473 2.155 2.728 . 0 0 "[ . 1 . 2]" 1
570 1 41 VAL H 1 52 THR MG . . 4.920 3.899 3.766 3.993 . 0 0 "[ . 1 . 2]" 1
571 1 41 VAL HA 1 42 GLY H . . 2.800 2.352 2.189 2.682 . 0 0 "[ . 1 . 2]" 1
572 1 41 VAL HB 1 51 CYS H . . 5.470 4.719 2.996 5.522 0.052 19 0 "[ . 1 . 2]" 1
573 1 41 VAL QG 1 51 CYS H . . 6.200 2.583 1.911 4.174 . 0 0 "[ . 1 . 2]" 1
574 1 41 VAL QG 1 52 THR H . . 8.090 3.631 2.628 5.200 . 0 0 "[ . 1 . 2]" 1
575 1 41 VAL QG 1 52 THR HA . . 5.730 2.943 2.189 3.872 . 0 0 "[ . 1 . 2]" 1
576 1 41 VAL QG 1 53 ILE H . . 7.160 3.386 2.795 4.027 . 0 0 "[ . 1 . 2]" 1
577 1 42 GLY H 1 51 CYS H . . 5.500 4.863 4.196 5.246 . 0 0 "[ . 1 . 2]" 1
578 1 42 GLY QA 1 43 ARG H . . 3.220 2.225 2.169 2.388 . 0 0 "[ . 1 . 2]" 1
579 1 42 GLY QA 1 50 PHE HA . . 4.770 3.860 1.979 4.394 . 0 0 "[ . 1 . 2]" 1
580 1 43 ARG H 1 43 ARG HB2 . . 3.490 2.844 2.055 3.556 0.066 18 0 "[ . 1 . 2]" 1
581 1 43 ARG H 1 43 ARG HB3 . . 3.490 3.189 2.605 3.518 0.028 19 0 "[ . 1 . 2]" 1
582 1 43 ARG H 1 44 PHE H . . 4.720 4.287 3.898 4.663 . 0 0 "[ . 1 . 2]" 1
583 1 43 ARG H 1 46 ASP H . . 4.910 4.895 4.613 5.199 0.289 19 0 "[ . 1 . 2]" 1
584 1 43 ARG H 1 47 ASP H . . 5.280 4.790 3.727 5.338 0.058 13 0 "[ . 1 . 2]" 1
585 1 43 ARG HA 1 44 PHE H . . 2.710 2.274 2.242 2.454 . 0 0 "[ . 1 . 2]" 1
586 1 43 ARG HA 1 45 GLU H . . 5.100 3.871 3.730 4.525 . 0 0 "[ . 1 . 2]" 1
587 1 43 ARG HB2 1 44 PHE H . . 4.660 4.376 3.124 4.544 . 0 0 "[ . 1 . 2]" 1
588 1 43 ARG HB3 1 44 PHE H . . 4.660 3.793 3.443 4.211 . 0 0 "[ . 1 . 2]" 1
589 1 44 PHE H 1 44 PHE HB2 . . 2.900 2.041 1.942 2.144 . 0 0 "[ . 1 . 2]" 1
590 1 44 PHE H 1 44 PHE HB3 . . 2.960 2.741 2.589 2.898 . 0 0 "[ . 1 . 2]" 1
591 1 44 PHE H 1 45 GLU H . . 3.610 2.529 2.457 2.641 . 0 0 "[ . 1 . 2]" 1
592 1 44 PHE H 1 46 ASP H . . 5.030 4.509 3.976 4.661 . 0 0 "[ . 1 . 2]" 1
593 1 44 PHE H 1 48 GLY H . . 5.500 5.194 4.734 5.818 0.318 19 0 "[ . 1 . 2]" 1
594 1 44 PHE HA 1 44 PHE HB2 . . 2.930 2.737 2.661 2.815 . 0 0 "[ . 1 . 2]" 1
595 1 44 PHE HB2 1 45 GLU H . . 3.730 3.639 3.439 3.794 0.064 3 0 "[ . 1 . 2]" 1
596 1 44 PHE HB3 1 45 GLU H . . 3.210 2.877 2.377 3.054 . 0 0 "[ . 1 . 2]" 1
597 1 44 PHE QD 1 45 GLU HA . . 5.730 4.110 3.527 4.613 . 0 0 "[ . 1 . 2]" 1
598 1 44 PHE QD 1 45 GLU HB2 . . 7.620 5.961 5.620 6.260 . 0 0 "[ . 1 . 2]" 1
599 1 44 PHE QD 1 45 GLU QG . . 7.570 5.315 4.845 5.896 . 0 0 "[ . 1 . 2]" 1
600 1 45 GLU H 1 45 GLU HB2 . . 3.170 2.099 2.020 2.313 . 0 0 "[ . 1 . 2]" 1
601 1 45 GLU H 1 45 GLU HB3 . . 3.640 3.348 3.200 3.529 . 0 0 "[ . 1 . 2]" 1
602 1 45 GLU H 1 45 GLU QG . . 4.150 3.154 2.586 3.523 . 0 0 "[ . 1 . 2]" 1
603 1 45 GLU H 1 46 ASP H . . 2.930 2.930 2.881 2.979 0.049 12 0 "[ . 1 . 2]" 1
604 1 45 GLU H 1 47 ASP H . . 5.100 4.376 3.998 5.119 0.019 6 0 "[ . 1 . 2]" 1
605 1 45 GLU HA 1 45 GLU HB2 . . 2.930 2.907 2.826 3.017 0.087 12 0 "[ . 1 . 2]" 1
606 1 45 GLU HB2 1 46 ASP H . . 3.300 3.056 2.712 3.279 . 0 0 "[ . 1 . 2]" 1
607 1 45 GLU HB2 1 47 ASP H . . 4.820 4.197 3.568 4.909 0.089 18 0 "[ . 1 . 2]" 1
608 1 45 GLU HB3 1 46 ASP H . . 3.360 3.009 2.733 3.433 0.073 19 0 "[ . 1 . 2]" 1
609 1 45 GLU QG 1 46 ASP H . . 5.790 4.451 4.294 4.612 . 0 0 "[ . 1 . 2]" 1
610 1 46 ASP H 1 46 ASP HB2 . . 4.020 3.910 3.561 4.062 0.042 3 0 "[ . 1 . 2]" 1
611 1 46 ASP H 1 46 ASP QB . . 3.720 3.299 2.312 3.523 . 0 0 "[ . 1 . 2]" 1
612 1 46 ASP H 1 46 ASP HB3 . . 3.920 3.599 2.342 3.923 0.003 7 0 "[ . 1 . 2]" 1
613 1 46 ASP H 1 47 ASP H . . 2.400 2.012 1.847 2.497 0.097 6 0 "[ . 1 . 2]" 1
614 1 46 ASP H 1 47 ASP HA . . 4.570 4.259 3.665 4.636 0.066 18 0 "[ . 1 . 2]" 1
615 1 46 ASP H 1 48 GLY H . . 4.070 3.306 2.651 4.092 0.022 18 0 "[ . 1 . 2]" 1
616 1 46 ASP HA 1 46 ASP HB2 . . 2.740 2.597 2.266 2.729 . 0 0 "[ . 1 . 2]" 1
617 1 46 ASP HA 1 46 ASP QB . . 2.450 2.185 2.178 2.200 . 0 0 "[ . 1 . 2]" 1
618 1 46 ASP HA 1 46 ASP HB3 . . 2.740 2.412 2.292 2.821 0.081 13 0 "[ . 1 . 2]" 1
619 1 46 ASP QB 1 47 ASP H . . 4.530 3.390 2.732 4.043 . 0 0 "[ . 1 . 2]" 1
620 1 46 ASP HB2 1 47 ASP H . . 4.940 3.740 2.799 4.392 . 0 0 "[ . 1 . 2]" 1
621 1 46 ASP HB3 1 47 ASP H . . 4.940 4.066 3.320 4.730 . 0 0 "[ . 1 . 2]" 1
622 1 47 ASP H 1 47 ASP HA . . 2.740 2.698 2.617 2.897 0.157 1 0 "[ . 1 . 2]" 1
623 1 47 ASP H 1 47 ASP HB2 . . 3.520 2.475 2.025 3.269 . 0 0 "[ . 1 . 2]" 1
624 1 47 ASP H 1 47 ASP HB3 . . 3.520 3.343 3.044 3.708 0.188 19 0 "[ . 1 . 2]" 1
625 1 47 ASP H 1 48 GLY H . . 3.080 2.553 1.692 3.178 0.098 13 0 "[ . 1 . 2]" 1
626 1 47 ASP HA 1 47 ASP HB2 . . 3.020 2.823 2.753 2.911 . 0 0 "[ . 1 . 2]" 1
627 1 47 ASP HA 1 47 ASP HB3 . . 3.020 2.943 2.866 2.992 . 0 0 "[ . 1 . 2]" 1
628 1 47 ASP QB 1 48 GLY H . . 4.490 2.624 2.067 3.661 . 0 0 "[ . 1 . 2]" 1
629 1 47 ASP QB 1 50 PHE QD . . 8.500 3.811 2.745 6.123 . 0 0 "[ . 1 . 2]" 1
630 1 48 GLY H 1 48 GLY HA2 . . 2.800 2.375 2.246 2.732 . 0 0 "[ . 1 . 2]" 1
631 1 48 GLY H 1 48 GLY QA . . 2.600 2.223 2.151 2.489 . 0 0 "[ . 1 . 2]" 1
632 1 48 GLY H 1 48 GLY HA3 . . 2.800 2.773 2.270 2.945 0.145 18 0 "[ . 1 . 2]" 1
633 1 48 GLY H 1 49 TYR H . . 4.720 4.505 3.945 4.674 . 0 0 "[ . 1 . 2]" 1
634 1 48 GLY H 1 50 PHE QD . . 6.690 5.208 4.155 6.143 . 0 0 "[ . 1 . 2]" 1
635 1 48 GLY QA 1 49 TYR H . . 2.760 2.246 2.183 2.306 . 0 0 "[ . 1 . 2]" 1
636 1 48 GLY QA 1 49 TYR QB . . 7.250 3.650 3.426 4.034 . 0 0 "[ . 1 . 2]" 1
637 1 48 GLY QA 1 50 PHE QD . . 8.500 5.202 3.905 6.014 . 0 0 "[ . 1 . 2]" 1
638 1 48 GLY HA2 1 49 TYR H . . 3.050 2.709 2.230 3.178 0.128 2 0 "[ . 1 . 2]" 1
639 1 48 GLY HA3 1 49 TYR H . . 3.050 2.602 2.224 3.162 0.112 20 0 "[ . 1 . 2]" 1
640 1 49 TYR H 1 49 TYR HB2 . . 3.210 2.661 2.291 3.241 0.031 12 0 "[ . 1 . 2]" 1
641 1 49 TYR H 1 49 TYR QB . . 2.980 2.344 2.038 2.877 . 0 0 "[ . 1 . 2]" 1
642 1 49 TYR H 1 49 TYR HB3 . . 3.210 2.665 2.154 3.485 0.275 18 0 "[ . 1 . 2]" 1
643 1 50 PHE QD 1 51 CYS H . . 7.620 4.174 2.612 5.025 . 0 0 "[ . 1 . 2]" 1
644 1 50 PHE QD 1 51 CYS QB . . 8.500 4.582 3.361 6.413 . 0 0 "[ . 1 . 2]" 1
645 1 51 CYS H 1 52 THR H . . 5.500 4.353 4.292 4.402 . 0 0 "[ . 1 . 2]" 1
646 1 51 CYS HA 1 52 THR H . . 2.740 2.708 2.557 2.822 0.082 6 0 "[ . 1 . 2]" 1
647 1 51 CYS QB 1 52 THR H . . 2.780 2.147 1.884 2.457 . 0 0 "[ . 1 . 2]" 1
648 1 51 CYS HB2 1 52 THR H . . 3.080 3.036 2.001 3.217 0.137 20 0 "[ . 1 . 2]" 1
649 1 51 CYS HB3 1 52 THR H . . 3.080 2.255 1.900 3.189 0.109 16 0 "[ . 1 . 2]" 1
650 1 52 THR H 1 52 THR HB . . 2.990 2.841 2.666 3.005 0.015 20 0 "[ . 1 . 2]" 1
651 1 52 THR HA 1 52 THR MG . . 3.430 2.210 2.054 2.437 . 0 0 "[ . 1 . 2]" 1
652 1 52 THR HA 1 53 ILE H . . 2.400 2.285 2.229 2.351 . 0 0 "[ . 1 . 2]" 1
653 1 52 THR HB 1 53 ILE H . . 4.070 3.823 3.637 4.034 . 0 0 "[ . 1 . 2]" 1
654 1 52 THR MG 1 53 ILE H . . 3.430 2.313 1.912 2.684 . 0 0 "[ . 1 . 2]" 1
655 1 53 ILE H 1 53 ILE HA . . 2.900 2.918 2.904 2.935 0.035 17 0 "[ . 1 . 2]" 1
656 1 53 ILE H 1 53 ILE HB . . 4.070 3.888 3.811 3.930 . 0 0 "[ . 1 . 2]" 1
657 1 53 ILE H 1 53 ILE MD . . 5.470 3.886 3.327 4.197 . 0 0 "[ . 1 . 2]" 1
658 1 53 ILE H 1 53 ILE MG . . 3.430 2.688 2.528 2.853 . 0 0 "[ . 1 . 2]" 1
659 1 53 ILE H 1 54 GLU H . . 5.500 4.415 4.395 4.445 . 0 0 "[ . 1 . 2]" 1
660 1 53 ILE HA 1 53 ILE HB . . 2.990 2.309 2.248 2.374 . 0 0 "[ . 1 . 2]" 1
661 1 53 ILE HA 1 53 ILE QG . . 3.940 3.359 3.218 3.496 . 0 0 "[ . 1 . 2]" 1
662 1 53 ILE HA 1 53 ILE MG . . 3.430 2.513 2.399 2.654 . 0 0 "[ . 1 . 2]" 1
663 1 53 ILE HA 1 54 GLU H . . 3.110 2.559 2.515 2.576 . 0 0 "[ . 1 . 2]" 1
664 1 53 ILE HA 1 100 PHE QD . . 7.620 5.613 4.632 6.362 . 0 0 "[ . 1 . 2]" 1
665 1 53 ILE HA 1 102 CYS HA . . 4.690 4.040 3.394 4.577 . 0 0 "[ . 1 . 2]" 1
666 1 53 ILE HA 1 103 LEU QD . . 7.600 4.209 2.492 5.452 . 0 0 "[ . 1 . 2]" 1
667 1 53 ILE HB 1 54 GLU H . . 3.110 2.487 2.371 2.644 . 0 0 "[ . 1 . 2]" 1
668 1 53 ILE HB 1 100 PHE HB2 . . 5.500 3.836 3.289 4.563 . 0 0 "[ . 1 . 2]" 1
669 1 53 ILE HB 1 100 PHE QD . . 6.750 3.512 2.419 4.407 . 0 0 "[ . 1 . 2]" 1
670 1 53 ILE MD 1 54 GLU H . . 6.530 2.866 1.865 4.198 . 0 0 "[ . 1 . 2]" 1
671 1 53 ILE MD 1 55 VAL MG2 . . 7.560 3.859 2.887 5.023 . 0 0 "[ . 1 . 2]" 1
672 1 53 ILE MD 1 100 PHE HB2 . . 4.950 1.967 1.755 2.988 . 0 0 "[ . 1 . 2]" 1
673 1 53 ILE MD 1 100 PHE HB3 . . 4.700 2.579 1.947 3.159 . 0 0 "[ . 1 . 2]" 1
674 1 53 ILE MD 1 100 PHE QD . . 7.410 2.252 1.813 3.299 . 0 0 "[ . 1 . 2]" 1
675 1 53 ILE MD 1 100 PHE QE . . 8.650 3.411 2.621 5.008 . 0 0 "[ . 1 . 2]" 1
676 1 53 ILE MD 1 101 LYS H . . 6.530 3.359 1.841 4.723 . 0 0 "[ . 1 . 2]" 1
677 1 53 ILE MD 1 102 CYS HA . . 6.530 4.450 3.234 5.041 . 0 0 "[ . 1 . 2]" 1
678 1 53 ILE QG 1 54 GLU H . . 4.740 3.234 2.456 3.799 . 0 0 "[ . 1 . 2]" 1
679 1 53 ILE MG 1 54 GLU H . . 6.090 3.954 3.837 4.058 . 0 0 "[ . 1 . 2]" 1
680 1 53 ILE MG 1 100 PHE QD . . 5.980 3.868 3.147 4.457 . 0 0 "[ . 1 . 2]" 1
681 1 53 ILE MG 1 100 PHE QE . . 7.470 3.821 2.600 4.677 . 0 0 "[ . 1 . 2]" 1
682 1 53 ILE MG 1 102 CYS HB2 . . 6.530 3.921 3.504 4.510 . 0 0 "[ . 1 . 2]" 1
683 1 53 ILE MG 1 102 CYS QB . . 6.350 3.818 3.434 4.280 . 0 0 "[ . 1 . 2]" 1
684 1 53 ILE MG 1 102 CYS HB3 . . 6.530 5.290 4.935 5.369 . 0 0 "[ . 1 . 2]" 1
685 1 54 GLU H 1 54 GLU HA . . 2.870 2.917 2.914 2.919 0.049 10 0 "[ . 1 . 2]" 1
686 1 54 GLU H 1 54 GLU HG2 . . 5.500 4.669 4.446 4.842 . 0 0 "[ . 1 . 2]" 1
687 1 54 GLU H 1 54 GLU QG . . 4.980 3.900 3.698 4.083 . 0 0 "[ . 1 . 2]" 1
688 1 54 GLU H 1 54 GLU HG3 . . 5.500 4.186 3.922 4.541 . 0 0 "[ . 1 . 2]" 1
689 1 54 GLU H 1 55 VAL H . . 4.940 4.465 4.381 4.522 . 0 0 "[ . 1 . 2]" 1
690 1 54 GLU H 1 100 PHE QD . . 7.620 4.593 3.477 5.419 . 0 0 "[ . 1 . 2]" 1
691 1 54 GLU H 1 101 LYS H . . 4.070 3.689 3.087 4.093 0.023 7 0 "[ . 1 . 2]" 1
692 1 54 GLU H 1 102 CYS QB . . 6.380 5.446 5.099 5.765 . 0 0 "[ . 1 . 2]" 1
693 1 54 GLU HA 1 54 GLU HB2 . . 2.830 2.833 2.660 2.931 0.101 1 0 "[ . 1 . 2]" 1
694 1 54 GLU HA 1 54 GLU QG . . 3.610 2.113 2.005 2.238 . 0 0 "[ . 1 . 2]" 1
695 1 54 GLU HA 1 55 VAL H . . 2.490 2.309 2.243 2.400 . 0 0 "[ . 1 . 2]" 1
696 1 54 GLU HA 1 101 LYS H . . 5.470 5.330 4.865 5.554 0.084 7 0 "[ . 1 . 2]" 1
697 1 54 GLU HB2 1 54 GLU QG . . 2.720 2.435 2.297 2.532 . 0 0 "[ . 1 . 2]" 1
698 1 54 GLU HB2 1 55 VAL H . . 5.500 4.353 4.215 4.474 . 0 0 "[ . 1 . 2]" 1
699 1 54 GLU HB3 1 55 VAL H . . 3.700 3.412 3.005 3.747 0.047 18 0 "[ . 1 . 2]" 1
700 1 54 GLU QG 1 55 VAL H . . 4.090 2.823 2.313 3.106 . 0 0 "[ . 1 . 2]" 1
701 1 54 GLU HG2 1 55 VAL H . . 4.410 2.943 2.374 3.244 . 0 0 "[ . 1 . 2]" 1
702 1 54 GLU HG3 1 55 VAL H . . 4.410 3.745 3.058 4.407 . 0 0 "[ . 1 . 2]" 1
703 1 55 VAL H 1 55 VAL HB . . 2.870 2.874 2.825 2.904 0.034 17 0 "[ . 1 . 2]" 1
704 1 55 VAL H 1 55 VAL MG1 . . 4.170 3.610 3.570 3.641 . 0 0 "[ . 1 . 2]" 1
705 1 55 VAL H 1 55 VAL MG2 . . 3.710 1.758 1.697 1.812 . 0 0 "[ . 1 . 2]" 1
706 1 55 VAL H 1 56 THR H . . 5.500 4.641 4.623 4.665 . 0 0 "[ . 1 . 2]" 1
707 1 55 VAL HA 1 56 THR H . . 2.900 2.400 2.261 2.477 . 0 0 "[ . 1 . 2]" 1
708 1 55 VAL HA 1 57 ALA H . . 4.070 4.183 4.132 4.240 0.170 17 0 "[ . 1 . 2]" 1
709 1 55 VAL HA 1 100 PHE H . . 4.970 4.783 4.472 4.955 . 0 0 "[ . 1 . 2]" 1
710 1 55 VAL HA 1 100 PHE HA . . 3.360 2.425 2.039 2.748 . 0 0 "[ . 1 . 2]" 1
711 1 55 VAL HA 1 101 LYS H . . 3.830 3.805 3.625 3.932 0.102 14 0 "[ . 1 . 2]" 1
712 1 55 VAL MG1 1 56 THR H . . 4.420 2.245 2.028 2.671 . 0 0 "[ . 1 . 2]" 1
713 1 55 VAL MG1 1 57 ALA H . . 4.610 2.899 2.563 3.145 . 0 0 "[ . 1 . 2]" 1
714 1 55 VAL MG1 1 100 PHE QD . . 8.650 4.236 3.277 4.896 . 0 0 "[ . 1 . 2]" 1
715 1 55 VAL MG2 1 56 THR H . . 5.540 4.215 4.154 4.345 . 0 0 "[ . 1 . 2]" 1
716 1 55 VAL MG2 1 57 ALA H . . 6.530 5.436 5.229 5.538 . 0 0 "[ . 1 . 2]" 1
717 1 56 THR H 1 56 THR HB . . 3.210 3.037 2.777 3.196 . 0 0 "[ . 1 . 2]" 1
718 1 56 THR H 1 56 THR MG . . 3.740 2.254 1.903 2.533 . 0 0 "[ . 1 . 2]" 1
719 1 56 THR H 1 57 ALA H . . 2.460 1.912 1.855 2.090 . 0 0 "[ . 1 . 2]" 1
720 1 56 THR H 1 57 ALA MB . . 5.380 4.188 4.108 4.302 . 0 0 "[ . 1 . 2]" 1
721 1 56 THR H 1 100 PHE H . . 5.380 4.455 4.084 4.734 . 0 0 "[ . 1 . 2]" 1
722 1 56 THR H 1 100 PHE HA . . 2.590 2.421 2.027 2.660 0.070 7 0 "[ . 1 . 2]" 1
723 1 56 THR H 1 100 PHE HB3 . . 5.500 3.951 3.339 4.642 . 0 0 "[ . 1 . 2]" 1
724 1 56 THR H 1 101 LYS H . . 4.660 4.439 3.874 4.704 0.044 12 0 "[ . 1 . 2]" 1
725 1 56 THR HA 1 56 THR HB . . 2.800 2.559 2.476 2.643 . 0 0 "[ . 1 . 2]" 1
726 1 56 THR HB 1 57 ALA H . . 4.690 3.863 3.701 4.020 . 0 0 "[ . 1 . 2]" 1
727 1 56 THR HB 1 57 ALA MB . . 6.430 4.753 4.685 4.865 . 0 0 "[ . 1 . 2]" 1
728 1 56 THR MG 1 57 ALA H . . 5.130 1.960 1.880 2.075 . 0 0 "[ . 1 . 2]" 1
729 1 56 THR MG 1 57 ALA HA . . 5.380 3.834 3.672 4.093 . 0 0 "[ . 1 . 2]" 1
730 1 56 THR MG 1 57 ALA MB . . 6.590 2.206 1.982 2.691 . 0 0 "[ . 1 . 2]" 1
731 1 56 THR MG 1 99 GLU HB2 . . 4.820 3.543 3.205 3.950 . 0 0 "[ . 1 . 2]" 1
732 1 56 THR MG 1 99 GLU HB3 . . 6.530 2.104 1.801 2.511 . 0 0 "[ . 1 . 2]" 1
733 1 56 THR MG 1 101 LYS H . . 4.640 3.749 3.627 3.822 . 0 0 "[ . 1 . 2]" 1
734 1 57 ALA H 1 57 ALA MB . . 3.430 2.672 2.551 2.778 . 0 0 "[ . 1 . 2]" 1
735 1 57 ALA H 1 58 THR H . . 4.600 4.379 4.352 4.414 . 0 0 "[ . 1 . 2]" 1
736 1 57 ALA H 1 99 GLU HB2 . . 4.040 3.792 3.440 4.103 0.063 14 0 "[ . 1 . 2]" 1
737 1 57 ALA H 1 99 GLU HB3 . . 3.860 2.418 2.080 2.694 . 0 0 "[ . 1 . 2]" 1
738 1 57 ALA H 1 100 PHE HA . . 4.600 3.675 3.329 4.207 . 0 0 "[ . 1 . 2]" 1
739 1 57 ALA HA 1 58 THR H . . 2.770 2.529 2.519 2.540 . 0 0 "[ . 1 . 2]" 1
740 1 57 ALA MB 1 58 THR H . . 3.430 2.482 2.341 2.554 . 0 0 "[ . 1 . 2]" 1
741 1 57 ALA MB 1 99 GLU H . . 4.760 3.749 3.562 3.906 . 0 0 "[ . 1 . 2]" 1
742 1 57 ALA MB 1 99 GLU HB2 . . 3.860 3.015 2.828 3.162 . 0 0 "[ . 1 . 2]" 1
743 1 57 ALA MB 1 99 GLU HB3 . . 3.990 2.486 2.052 2.836 . 0 0 "[ . 1 . 2]" 1
744 1 58 THR H 1 58 THR HB . . 3.760 2.775 2.698 2.948 . 0 0 "[ . 1 . 2]" 1
745 1 58 THR H 1 59 SER H . . 4.570 4.321 4.109 4.387 . 0 0 "[ . 1 . 2]" 1
746 1 58 THR HA 1 58 THR HB . . 3.020 3.042 3.030 3.054 0.034 11 0 "[ . 1 . 2]" 1
747 1 58 THR HA 1 59 SER H . . 2.560 2.270 2.179 2.314 . 0 0 "[ . 1 . 2]" 1
748 1 58 THR HA 1 98 ILE HA . . 3.550 2.182 2.021 2.410 . 0 0 "[ . 1 . 2]" 1
749 1 58 THR HA 1 98 ILE MG . . 6.190 3.330 2.999 3.683 . 0 0 "[ . 1 . 2]" 1
750 1 58 THR HA 1 99 GLU H . . 4.630 2.477 2.220 2.823 . 0 0 "[ . 1 . 2]" 1
751 1 58 THR HB 1 59 SER H . . 4.310 4.226 4.137 4.413 0.103 14 0 "[ . 1 . 2]" 1
752 1 58 THR HB 1 59 SER HA . . 5.160 4.958 4.866 5.029 . 0 0 "[ . 1 . 2]" 1
753 1 58 THR HB 1 96 TYR QE . . 7.260 5.636 5.175 6.002 . 0 0 "[ . 1 . 2]" 1
754 1 58 THR HB 1 98 ILE HA . . 4.760 4.287 4.151 4.549 . 0 0 "[ . 1 . 2]" 1
755 1 58 THR HB 1 98 ILE MD . . 6.000 3.611 3.496 3.731 . 0 0 "[ . 1 . 2]" 1
756 1 58 THR HB 1 98 ILE QG . . 6.380 5.695 5.521 5.801 . 0 0 "[ . 1 . 2]" 1
757 1 58 THR MG 1 59 SER H . . 4.610 2.112 1.915 2.630 . 0 0 "[ . 1 . 2]" 1
758 1 58 THR MG 1 59 SER HA . . 4.140 3.305 3.238 3.387 . 0 0 "[ . 1 . 2]" 1
759 1 58 THR MG 1 98 ILE HA . . 4.670 2.928 2.777 2.982 . 0 0 "[ . 1 . 2]" 1
760 1 58 THR MG 1 98 ILE HB . . 5.810 4.696 4.565 4.758 . 0 0 "[ . 1 . 2]" 1
761 1 58 THR MG 1 98 ILE MD . . 5.200 1.670 1.635 1.732 . 0 0 "[ . 1 . 2]" 1
762 1 58 THR MG 1 98 ILE QG . . 4.930 3.493 3.328 3.615 . 0 0 "[ . 1 . 2]" 1
763 1 58 THR MG 1 98 ILE MG . . 5.480 2.843 2.628 3.064 . 0 0 "[ . 1 . 2]" 1
764 1 58 THR MG 1 99 GLU H . . 5.190 4.282 4.120 4.366 . 0 0 "[ . 1 . 2]" 1
765 1 59 SER H 1 59 SER HB2 . . 3.980 3.603 3.574 3.632 . 0 0 "[ . 1 . 2]" 1
766 1 59 SER H 1 59 SER HB3 . . 4.110 3.882 3.852 3.898 . 0 0 "[ . 1 . 2]" 1
767 1 59 SER H 1 60 THR H . . 4.410 4.376 4.368 4.380 . 0 0 "[ . 1 . 2]" 1
768 1 59 SER H 1 60 THR MG . . 6.530 4.702 4.521 5.090 . 0 0 "[ . 1 . 2]" 1
769 1 59 SER H 1 97 VAL H . . 3.450 3.237 2.954 3.493 0.043 13 0 "[ . 1 . 2]" 1
770 1 59 SER H 1 97 VAL HB . . 4.040 3.223 3.014 3.430 . 0 0 "[ . 1 . 2]" 1
771 1 59 SER H 1 97 VAL MG1 . . 5.850 3.565 3.348 3.766 . 0 0 "[ . 1 . 2]" 1
772 1 59 SER H 1 97 VAL MG2 . . 6.090 4.685 4.549 4.824 . 0 0 "[ . 1 . 2]" 1
773 1 59 SER HA 1 59 SER HB3 . . 2.400 2.257 2.255 2.260 . 0 0 "[ . 1 . 2]" 1
774 1 59 SER HA 1 60 THR H . . 2.620 2.557 2.519 2.578 . 0 0 "[ . 1 . 2]" 1
775 1 59 SER HA 1 97 VAL HB . . 5.030 4.861 4.687 5.018 . 0 0 "[ . 1 . 2]" 1
776 1 59 SER HA 1 98 ILE MD . . 6.160 4.969 4.853 5.090 . 0 0 "[ . 1 . 2]" 1
777 1 59 SER HB2 1 60 THR H . . 2.620 2.579 2.489 2.653 0.033 16 0 "[ . 1 . 2]" 1
778 1 59 SER HB3 1 60 THR H . . 3.140 3.112 3.048 3.182 0.042 16 0 "[ . 1 . 2]" 1
779 1 60 THR H 1 60 THR HB . . 4.110 3.469 3.403 3.502 . 0 0 "[ . 1 . 2]" 1
780 1 60 THR H 1 60 THR MG . . 4.020 3.141 2.885 3.283 . 0 0 "[ . 1 . 2]" 1
781 1 60 THR H 1 61 VAL H . . 4.970 4.267 4.148 4.460 . 0 0 "[ . 1 . 2]" 1
782 1 60 THR H 1 97 VAL MG2 . . 6.530 5.117 4.973 5.279 . 0 0 "[ . 1 . 2]" 1
783 1 60 THR HA 1 60 THR HB . . 2.650 2.714 2.661 2.744 0.094 4 0 "[ . 1 . 2]" 1
784 1 60 THR HA 1 60 THR MG . . 3.430 2.180 2.070 2.311 . 0 0 "[ . 1 . 2]" 1
785 1 60 THR HA 1 61 VAL H . . 2.400 2.161 2.150 2.179 . 0 0 "[ . 1 . 2]" 1
786 1 60 THR HA 1 61 VAL MG1 . . 6.530 5.196 5.086 5.301 . 0 0 "[ . 1 . 2]" 1
787 1 60 THR HA 1 61 VAL MG2 . . 6.250 3.218 3.098 3.292 . 0 0 "[ . 1 . 2]" 1
788 1 60 THR HA 1 95 PHE H . . 4.940 4.918 4.836 4.964 0.024 11 0 "[ . 1 . 2]" 1
789 1 60 THR HA 1 96 TYR HA . . 3.550 2.362 2.131 2.516 . 0 0 "[ . 1 . 2]" 1
790 1 60 THR HA 1 97 VAL H . . 3.170 2.639 2.365 2.869 . 0 0 "[ . 1 . 2]" 1
791 1 60 THR HB 1 61 VAL H . . 4.290 3.882 3.644 4.014 . 0 0 "[ . 1 . 2]" 1
792 1 60 THR HB 1 61 VAL MG1 . . 6.530 5.386 5.244 5.504 . 0 0 "[ . 1 . 2]" 1
793 1 60 THR HB 1 61 VAL MG2 . . 6.530 4.332 4.268 4.403 . 0 0 "[ . 1 . 2]" 1
794 1 60 THR MG 1 61 VAL H . . 5.070 3.921 3.856 3.986 . 0 0 "[ . 1 . 2]" 1
795 1 60 THR MG 1 95 PHE H . . 6.530 5.344 5.287 5.400 . 0 0 "[ . 1 . 2]" 1
796 1 60 THR MG 1 96 TYR QD . . 6.440 2.575 2.165 3.195 . 0 0 "[ . 1 . 2]" 1
797 1 60 THR MG 1 96 TYR QE . . 7.170 2.659 2.252 3.208 . 0 0 "[ . 1 . 2]" 1
798 1 60 THR MG 1 97 VAL H . . 5.780 3.409 3.168 3.653 . 0 0 "[ . 1 . 2]" 1
799 1 61 VAL H 1 61 VAL HB . . 3.700 3.326 3.233 3.412 . 0 0 "[ . 1 . 2]" 1
800 1 61 VAL H 1 61 VAL MG2 . . 3.990 2.454 2.419 2.517 . 0 0 "[ . 1 . 2]" 1
801 1 61 VAL H 1 95 PHE H . . 3.610 3.513 3.442 3.566 . 0 0 "[ . 1 . 2]" 1
802 1 61 VAL H 1 96 TYR HA . . 3.270 3.343 3.267 3.409 0.139 19 0 "[ . 1 . 2]" 1
803 1 61 VAL HA 1 61 VAL MG1 . . 3.710 2.067 1.947 2.180 . 0 0 "[ . 1 . 2]" 1
804 1 61 VAL HA 1 62 THR H . . 3.520 2.577 2.513 2.606 . 0 0 "[ . 1 . 2]" 1
805 1 61 VAL HB 1 62 THR H . . 3.110 2.836 2.693 2.948 . 0 0 "[ . 1 . 2]" 1
806 1 61 VAL HB 1 66 LEU HB2 . . 5.500 5.527 5.388 5.600 0.100 13 0 "[ . 1 . 2]" 1
807 1 61 VAL HB 1 66 LEU QB . . 5.260 4.352 4.150 4.529 . 0 0 "[ . 1 . 2]" 1
808 1 61 VAL HB 1 66 LEU HB3 . . 5.500 4.557 4.311 4.837 . 0 0 "[ . 1 . 2]" 1
809 1 61 VAL HB 1 66 LEU QD . . 6.050 1.984 1.836 2.452 . 0 0 "[ . 1 . 2]" 1
810 1 61 VAL HB 1 66 LEU HG . . 4.290 3.413 3.140 3.735 . 0 0 "[ . 1 . 2]" 1
811 1 61 VAL MG1 1 62 THR H . . 4.020 2.109 1.927 2.319 . 0 0 "[ . 1 . 2]" 1
812 1 61 VAL MG1 1 66 LEU H . . 6.630 5.311 5.249 5.415 . 0 0 "[ . 1 . 2]" 1
813 1 61 VAL MG1 1 95 PHE H . . 6.530 5.035 4.689 5.483 . 0 0 "[ . 1 . 2]" 1
814 1 61 VAL MG2 1 62 THR H . . 6.530 4.070 4.042 4.134 . 0 0 "[ . 1 . 2]" 1
815 1 61 VAL MG2 1 95 PHE H . . 6.530 5.189 5.102 5.278 . 0 0 "[ . 1 . 2]" 1
816 1 62 THR H 1 62 THR HB . . 3.140 2.749 2.571 3.056 . 0 0 "[ . 1 . 2]" 1
817 1 62 THR H 1 65 THR H . . 5.470 4.324 4.144 4.445 . 0 0 "[ . 1 . 2]" 1
818 1 62 THR HA 1 62 THR HB . . 3.020 3.022 2.935 3.053 0.033 13 0 "[ . 1 . 2]" 1
819 1 62 THR HA 1 63 LEU H . . 2.900 2.958 2.868 2.983 0.083 15 0 "[ . 1 . 2]" 1
820 1 62 THR HA 1 64 ASP H . . 5.500 5.498 5.407 5.577 0.077 13 0 "[ . 1 . 2]" 1
821 1 62 THR HA 1 94 GLN HA . . 3.270 2.043 1.866 2.358 . 0 0 "[ . 1 . 2]" 1
822 1 62 THR HA 1 94 GLN QB . . 6.100 4.009 2.732 4.438 . 0 0 "[ . 1 . 2]" 1
823 1 62 THR HA 1 94 GLN QG . . 6.380 3.496 2.029 4.536 . 0 0 "[ . 1 . 2]" 1
824 1 62 THR HA 1 95 PHE H . . 3.490 2.526 2.409 2.773 . 0 0 "[ . 1 . 2]" 1
825 1 62 THR HA 1 95 PHE QD . . 7.370 4.389 2.905 5.821 . 0 0 "[ . 1 . 2]" 1
826 1 62 THR HB 1 63 LEU H . . 2.460 2.319 1.951 2.496 0.036 11 0 "[ . 1 . 2]" 1
827 1 62 THR HB 1 94 GLN QB . . 6.380 5.545 3.766 5.811 . 0 0 "[ . 1 . 2]" 1
828 1 62 THR HB 1 94 GLN QG . . 6.530 4.245 3.589 5.921 . 0 0 "[ . 1 . 2]" 1
829 1 62 THR MG 1 63 LEU H . . 4.950 2.052 1.796 2.598 . 0 0 "[ . 1 . 2]" 1
830 1 62 THR MG 1 63 LEU QB . . 7.410 3.889 3.642 4.376 . 0 0 "[ . 1 . 2]" 1
831 1 62 THR MG 1 64 ASP H . . 6.530 3.569 3.146 4.147 . 0 0 "[ . 1 . 2]" 1
832 1 62 THR MG 1 65 THR HB . . 6.530 5.160 5.012 5.243 . 0 0 "[ . 1 . 2]" 1
833 1 62 THR MG 1 66 LEU QD . . 9.130 5.345 5.006 5.634 . 0 0 "[ . 1 . 2]" 1
834 1 62 THR MG 1 94 GLN HA . . 3.990 2.379 1.845 2.805 . 0 0 "[ . 1 . 2]" 1
835 1 62 THR MG 1 94 GLN QG . . 5.110 2.857 1.976 3.799 . 0 0 "[ . 1 . 2]" 1
836 1 62 THR MG 1 95 PHE H . . 5.380 3.944 3.662 4.202 . 0 0 "[ . 1 . 2]" 1
837 1 63 LEU H 1 63 LEU HB2 . . 4.040 3.597 3.557 3.615 . 0 0 "[ . 1 . 2]" 1
838 1 63 LEU H 1 63 LEU QB . . 3.700 2.901 2.851 2.941 . 0 0 "[ . 1 . 2]" 1
839 1 63 LEU H 1 63 LEU HB3 . . 4.040 3.062 2.986 3.118 . 0 0 "[ . 1 . 2]" 1
840 1 63 LEU H 1 63 LEU MD1 . . 5.810 3.491 3.438 3.516 . 0 0 "[ . 1 . 2]" 1
841 1 63 LEU H 1 63 LEU MD2 . . 5.540 2.760 2.542 2.886 . 0 0 "[ . 1 . 2]" 1
842 1 63 LEU H 1 63 LEU HG . . 5.500 1.790 1.760 1.835 . 0 0 "[ . 1 . 2]" 1
843 1 63 LEU H 1 64 ASP H . . 3.360 2.570 2.472 2.705 . 0 0 "[ . 1 . 2]" 1
844 1 63 LEU H 1 65 THR H . . 4.170 2.987 2.920 3.119 . 0 0 "[ . 1 . 2]" 1
845 1 63 LEU HA 1 63 LEU HG . . 4.200 3.596 3.591 3.607 . 0 0 "[ . 1 . 2]" 1
846 1 63 LEU HA 1 65 THR H . . 3.860 3.618 3.548 3.672 . 0 0 "[ . 1 . 2]" 1
847 1 63 LEU HA 1 66 LEU H . . 4.070 4.121 4.025 4.174 0.104 5 0 "[ . 1 . 2]" 1
848 1 63 LEU HA 1 66 LEU HG . . 3.860 3.837 3.582 3.918 0.058 17 0 "[ . 1 . 2]" 1
849 1 63 LEU QB 1 66 LEU H . . 6.380 4.973 4.849 5.074 . 0 0 "[ . 1 . 2]" 1
850 1 63 LEU HB2 1 64 ASP H . . 4.850 3.021 2.883 3.187 . 0 0 "[ . 1 . 2]" 1
851 1 63 LEU HB3 1 64 ASP H . . 4.850 3.782 3.751 3.827 . 0 0 "[ . 1 . 2]" 1
852 1 63 LEU MD1 1 64 ASP H . . 6.530 1.977 1.876 2.229 . 0 0 "[ . 1 . 2]" 1
853 1 63 LEU MD1 1 64 ASP HA . . 6.370 3.198 2.908 3.375 . 0 0 "[ . 1 . 2]" 1
854 1 63 LEU MD1 1 66 LEU H . . 6.530 5.267 5.086 5.372 . 0 0 "[ . 1 . 2]" 1
855 1 63 LEU MD1 1 85 ILE HB . . 6.190 5.173 5.037 5.212 . 0 0 "[ . 1 . 2]" 1
856 1 63 LEU MD1 1 85 ILE MD . . 5.390 1.834 1.699 2.518 . 0 0 "[ . 1 . 2]" 1
857 1 63 LEU MD1 1 85 ILE MG . . 5.700 3.484 3.153 3.760 . 0 0 "[ . 1 . 2]" 1
858 1 63 LEU MD2 1 64 ASP H . . 6.530 3.533 3.507 3.560 . 0 0 "[ . 1 . 2]" 1
859 1 63 LEU MD2 1 85 ILE MD . . 6.530 3.096 2.700 3.518 . 0 0 "[ . 1 . 2]" 1
860 1 63 LEU HG 1 64 ASP H . . 5.500 1.817 1.757 1.856 . 0 0 "[ . 1 . 2]" 1
861 1 63 LEU HG 1 64 ASP HA . . 5.500 4.473 4.394 4.511 . 0 0 "[ . 1 . 2]" 1
862 1 64 ASP H 1 64 ASP HA . . 2.770 2.729 2.687 2.767 . 0 0 "[ . 1 . 2]" 1
863 1 64 ASP H 1 64 ASP HB2 . . 3.110 2.052 2.010 2.094 . 0 0 "[ . 1 . 2]" 1
864 1 64 ASP H 1 64 ASP QB . . 2.890 2.018 1.987 2.051 . 0 0 "[ . 1 . 2]" 1
865 1 64 ASP H 1 64 ASP HB3 . . 3.110 2.998 2.919 3.120 0.010 4 0 "[ . 1 . 2]" 1
866 1 64 ASP H 1 65 THR H . . 2.800 2.723 2.651 2.787 . 0 0 "[ . 1 . 2]" 1
867 1 64 ASP H 1 66 LEU H . . 4.600 4.334 4.310 4.349 . 0 0 "[ . 1 . 2]" 1
868 1 64 ASP HA 1 64 ASP QB . . 2.750 2.539 2.512 2.562 . 0 0 "[ . 1 . 2]" 1
869 1 64 ASP HA 1 67 THR H . . 3.920 3.855 3.781 3.947 0.027 14 0 "[ . 1 . 2]" 1
870 1 64 ASP HA 1 67 THR HB . . 3.920 3.987 3.234 4.144 0.224 5 0 "[ . 1 . 2]" 1
871 1 64 ASP QB 1 65 THR H . . 3.690 3.232 3.151 3.291 . 0 0 "[ . 1 . 2]" 1
872 1 64 ASP QB 1 66 LEU H . . 6.380 4.429 4.391 4.464 . 0 0 "[ . 1 . 2]" 1
873 1 64 ASP HB2 1 65 THR H . . 3.860 3.894 3.796 3.956 0.096 11 0 "[ . 1 . 2]" 1
874 1 64 ASP HB3 1 65 THR H . . 3.860 3.455 3.317 3.573 . 0 0 "[ . 1 . 2]" 1
875 1 65 THR H 1 65 THR MG . . 4.050 2.536 2.332 2.695 . 0 0 "[ . 1 . 2]" 1
876 1 65 THR H 1 66 LEU H . . 2.900 2.601 2.550 2.644 . 0 0 "[ . 1 . 2]" 1
877 1 65 THR H 1 66 LEU QD . . 8.100 4.196 3.917 4.432 . 0 0 "[ . 1 . 2]" 1
878 1 65 THR H 1 66 LEU HG . . 4.410 3.750 3.432 4.014 . 0 0 "[ . 1 . 2]" 1
879 1 65 THR H 1 67 THR H . . 4.290 3.682 3.526 3.807 . 0 0 "[ . 1 . 2]" 1
880 1 65 THR H 1 97 VAL MG2 . . 6.530 5.372 5.295 5.434 . 0 0 "[ . 1 . 2]" 1
881 1 65 THR HA 1 65 THR HB . . 2.650 2.658 2.585 2.702 0.052 5 0 "[ . 1 . 2]" 1
882 1 65 THR HA 1 65 THR MG . . 3.430 2.320 2.161 2.425 . 0 0 "[ . 1 . 2]" 1
883 1 65 THR HA 1 66 LEU H . . 3.520 3.340 3.276 3.383 . 0 0 "[ . 1 . 2]" 1
884 1 65 THR HB 1 66 LEU H . . 4.690 4.196 4.095 4.363 . 0 0 "[ . 1 . 2]" 1
885 1 65 THR MG 1 66 LEU H . . 5.750 4.343 4.269 4.411 . 0 0 "[ . 1 . 2]" 1
886 1 66 LEU H 1 66 LEU HB2 . . 4.070 3.990 3.902 4.045 . 0 0 "[ . 1 . 2]" 1
887 1 66 LEU H 1 66 LEU QB . . 3.760 3.395 3.338 3.444 . 0 0 "[ . 1 . 2]" 1
888 1 66 LEU H 1 66 LEU HB3 . . 4.070 3.680 3.557 3.832 . 0 0 "[ . 1 . 2]" 1
889 1 66 LEU H 1 66 LEU HG . . 2.960 2.662 2.585 2.830 . 0 0 "[ . 1 . 2]" 1
890 1 66 LEU H 1 67 THR H . . 4.040 1.912 1.853 2.054 . 0 0 "[ . 1 . 2]" 1
891 1 66 LEU H 1 67 THR HA . . 5.500 4.357 4.328 4.427 . 0 0 "[ . 1 . 2]" 1
892 1 66 LEU H 1 67 THR HB . . 5.500 3.606 3.457 3.657 . 0 0 "[ . 1 . 2]" 1
893 1 66 LEU HA 1 70 HIS H . . 5.340 5.243 5.130 5.370 0.030 15 0 "[ . 1 . 2]" 1
894 1 66 LEU QB 1 67 THR H . . 3.980 3.447 3.226 3.532 . 0 0 "[ . 1 . 2]" 1
895 1 66 LEU HB2 1 67 THR H . . 4.720 3.701 3.362 3.872 . 0 0 "[ . 1 . 2]" 1
896 1 66 LEU HB3 1 67 THR H . . 4.720 4.125 4.032 4.186 . 0 0 "[ . 1 . 2]" 1
897 1 66 LEU QD 1 67 THR H . . 6.580 2.289 1.869 2.723 . 0 0 "[ . 1 . 2]" 1
898 1 66 LEU HG 1 67 THR H . . 4.290 2.438 2.180 2.763 . 0 0 "[ . 1 . 2]" 1
899 1 67 THR H 1 67 THR HB . . 3.610 2.057 2.030 2.197 . 0 0 "[ . 1 . 2]" 1
900 1 67 THR H 1 67 THR MG . . 4.200 2.988 2.923 3.651 . 0 0 "[ . 1 . 2]" 1
901 1 67 THR H 1 68 GLU H . . 5.100 4.671 4.666 4.674 . 0 0 "[ . 1 . 2]" 1
902 1 67 THR H 1 69 LYS H . . 4.910 4.804 4.708 4.907 . 0 0 "[ . 1 . 2]" 1
903 1 67 THR H 1 70 HIS H . . 4.570 4.722 4.681 4.765 0.195 5 0 "[ . 1 . 2]" 1
904 1 67 THR H 1 70 HIS HB2 . . 5.500 5.029 4.595 5.390 . 0 0 "[ . 1 . 2]" 1
905 1 67 THR H 1 70 HIS QB . . 5.070 4.440 4.344 4.599 . 0 0 "[ . 1 . 2]" 1
906 1 67 THR H 1 70 HIS HB3 . . 5.500 4.998 4.663 5.450 . 0 0 "[ . 1 . 2]" 1
907 1 67 THR HA 1 68 GLU H . . 3.050 2.327 2.286 2.370 . 0 0 "[ . 1 . 2]" 1
908 1 67 THR HA 1 68 GLU QG . . 6.380 4.510 4.453 4.914 . 0 0 "[ . 1 . 2]" 1
909 1 67 THR HA 1 70 HIS H . . 5.500 4.831 4.779 4.979 . 0 0 "[ . 1 . 2]" 1
910 1 67 THR HB 1 68 GLU H . . 4.200 4.232 4.171 4.288 0.088 15 0 "[ . 1 . 2]" 1
911 1 67 THR HB 1 69 LYS HB2 . . 5.500 4.667 4.017 4.771 . 0 0 "[ . 1 . 2]" 1
912 1 67 THR HB 1 69 LYS HB3 . . 5.500 4.310 3.010 4.437 . 0 0 "[ . 1 . 2]" 1
913 1 67 THR MG 1 68 GLU H . . 4.450 3.133 2.012 3.231 . 0 0 "[ . 1 . 2]" 1
914 1 67 THR MG 1 68 GLU HA . . 5.230 4.177 3.936 4.228 . 0 0 "[ . 1 . 2]" 1
915 1 67 THR MG 1 69 LYS H . . 4.020 1.705 1.673 1.763 . 0 0 "[ . 1 . 2]" 1
916 1 68 GLU H 1 68 GLU HB2 . . 3.110 2.154 2.133 2.194 . 0 0 "[ . 1 . 2]" 1
917 1 68 GLU H 1 68 GLU HB3 . . 3.420 3.451 3.436 3.477 0.057 14 0 "[ . 1 . 2]" 1
918 1 68 GLU H 1 68 GLU QG . . 3.870 2.879 2.819 3.277 . 0 0 "[ . 1 . 2]" 1
919 1 68 GLU H 1 69 LYS H . . 3.140 2.805 2.758 2.867 . 0 0 "[ . 1 . 2]" 1
920 1 68 GLU H 1 69 LYS HB3 . . 5.500 5.219 5.004 5.372 . 0 0 "[ . 1 . 2]" 1
921 1 68 GLU H 1 70 HIS H . . 4.570 4.456 4.403 4.679 0.109 6 0 "[ . 1 . 2]" 1
922 1 68 GLU H 1 71 ALA H . . 5.500 5.253 5.104 5.382 . 0 0 "[ . 1 . 2]" 1
923 1 68 GLU HA 1 68 GLU HB3 . . 2.770 2.757 2.750 2.761 . 0 0 "[ . 1 . 2]" 1
924 1 68 GLU HA 1 68 GLU QG . . 3.750 2.048 1.987 2.114 . 0 0 "[ . 1 . 2]" 1
925 1 68 GLU HA 1 69 LYS H . . 3.520 3.501 3.495 3.506 . 0 0 "[ . 1 . 2]" 1
926 1 68 GLU HA 1 71 ALA H . . 3.420 2.968 2.833 3.073 . 0 0 "[ . 1 . 2]" 1
927 1 68 GLU HA 1 71 ALA MB . . 3.920 2.728 2.373 3.151 . 0 0 "[ . 1 . 2]" 1
928 1 68 GLU HA 1 72 GLU H . . 4.600 4.108 3.838 4.493 . 0 0 "[ . 1 . 2]" 1
929 1 68 GLU HB2 1 69 LYS H . . 3.270 3.318 3.303 3.335 0.065 6 0 "[ . 1 . 2]" 1
930 1 68 GLU HB3 1 69 LYS H . . 3.610 3.693 3.680 3.721 0.111 14 0 "[ . 1 . 2]" 1
931 1 68 GLU QG 1 69 LYS H . . 6.380 4.582 4.560 4.684 . 0 0 "[ . 1 . 2]" 1
932 1 68 GLU QG 1 71 ALA MB . . 7.410 3.365 3.040 3.712 . 0 0 "[ . 1 . 2]" 1
933 1 69 LYS H 1 69 LYS HB2 . . 3.170 2.308 2.217 2.546 . 0 0 "[ . 1 . 2]" 1
934 1 69 LYS H 1 69 LYS HB3 . . 3.080 2.629 2.387 2.744 . 0 0 "[ . 1 . 2]" 1
935 1 69 LYS H 1 69 LYS HG2 . . 5.190 4.428 4.357 4.602 . 0 0 "[ . 1 . 2]" 1
936 1 69 LYS H 1 69 LYS QG . . 4.820 3.899 3.877 4.010 . 0 0 "[ . 1 . 2]" 1
937 1 69 LYS H 1 69 LYS HG3 . . 5.190 4.330 4.291 4.417 . 0 0 "[ . 1 . 2]" 1
938 1 69 LYS H 1 70 HIS H . . 2.960 2.803 2.776 2.905 . 0 0 "[ . 1 . 2]" 1
939 1 69 LYS H 1 71 ALA H . . 4.510 4.551 4.295 4.628 0.118 16 0 "[ . 1 . 2]" 1
940 1 69 LYS HA 1 69 LYS HB2 . . 2.900 2.506 2.377 2.560 . 0 0 "[ . 1 . 2]" 1
941 1 69 LYS HA 1 69 LYS HD2 . . 5.500 4.396 3.075 4.643 . 0 0 "[ . 1 . 2]" 1
942 1 69 LYS HA 1 69 LYS QD . . 5.140 3.804 2.230 4.050 . 0 0 "[ . 1 . 2]" 1
943 1 69 LYS HA 1 69 LYS HD3 . . 5.500 4.260 2.248 4.692 . 0 0 "[ . 1 . 2]" 1
944 1 69 LYS HA 1 70 HIS H . . 3.520 3.556 3.541 3.610 0.090 6 0 "[ . 1 . 2]" 1
945 1 69 LYS HA 1 72 GLU H . . 3.760 3.488 3.307 3.775 0.015 8 0 "[ . 1 . 2]" 1
946 1 69 LYS HA 1 72 GLU HB2 . . 4.040 2.867 2.652 3.168 . 0 0 "[ . 1 . 2]" 1
947 1 69 LYS HA 1 72 GLU HB3 . . 4.040 3.196 2.791 3.774 . 0 0 "[ . 1 . 2]" 1
948 1 69 LYS HA 1 72 GLU QG . . 6.380 4.749 4.565 5.157 . 0 0 "[ . 1 . 2]" 1
949 1 69 LYS HB2 1 70 HIS H . . 4.070 4.029 3.919 4.202 0.132 14 0 "[ . 1 . 2]" 1
950 1 69 LYS HB3 1 70 HIS H . . 3.830 2.975 2.683 3.043 . 0 0 "[ . 1 . 2]" 1
951 1 69 LYS QG 1 70 HIS H . . 4.760 4.094 3.703 4.191 . 0 0 "[ . 1 . 2]" 1
952 1 69 LYS HG2 1 70 HIS H . . 5.380 4.377 3.948 5.083 . 0 0 "[ . 1 . 2]" 1
953 1 69 LYS HG3 1 70 HIS H . . 5.380 5.086 4.017 5.281 . 0 0 "[ . 1 . 2]" 1
954 1 70 HIS H 1 70 HIS HB2 . . 3.080 2.709 2.349 2.931 . 0 0 "[ . 1 . 2]" 1
955 1 70 HIS H 1 70 HIS QB . . 2.890 2.135 2.065 2.209 . 0 0 "[ . 1 . 2]" 1
956 1 70 HIS H 1 70 HIS HB3 . . 3.080 2.271 2.110 2.620 . 0 0 "[ . 1 . 2]" 1
957 1 70 HIS H 1 71 ALA H . . 2.830 2.677 2.552 2.740 . 0 0 "[ . 1 . 2]" 1
958 1 70 HIS H 1 81 LEU MD1 . . 6.030 4.598 4.374 4.800 . 0 0 "[ . 1 . 2]" 1
959 1 70 HIS HA 1 71 ALA H . . 3.550 3.633 3.616 3.637 0.087 16 0 "[ . 1 . 2]" 1
960 1 70 HIS HA 1 73 GLN H . . 3.670 3.300 3.183 3.485 . 0 0 "[ . 1 . 2]" 1
961 1 70 HIS QB 1 71 ALA H . . 3.770 2.547 2.370 2.695 . 0 0 "[ . 1 . 2]" 1
962 1 70 HIS HB2 1 71 ALA H . . 4.040 3.933 3.659 4.045 0.005 19 0 "[ . 1 . 2]" 1
963 1 70 HIS HB3 1 71 ALA H . . 4.040 2.580 2.400 2.736 . 0 0 "[ . 1 . 2]" 1
964 1 71 ALA H 1 71 ALA HA . . 2.830 2.768 2.744 2.782 . 0 0 "[ . 1 . 2]" 1
965 1 71 ALA H 1 71 ALA MB . . 3.430 2.068 1.935 2.160 . 0 0 "[ . 1 . 2]" 1
966 1 71 ALA H 1 72 GLU H . . 2.770 2.749 2.698 2.849 0.079 20 0 "[ . 1 . 2]" 1
967 1 71 ALA H 1 72 GLU QB . . 6.380 4.418 4.375 4.496 . 0 0 "[ . 1 . 2]" 1
968 1 71 ALA H 1 73 GLN H . . 4.600 4.169 4.046 4.248 . 0 0 "[ . 1 . 2]" 1
969 1 71 ALA H 1 74 GLU H . . 5.500 4.950 4.875 5.030 . 0 0 "[ . 1 . 2]" 1
970 1 71 ALA H 1 81 LEU MD1 . . 6.530 5.347 5.073 5.425 . 0 0 "[ . 1 . 2]" 1
971 1 71 ALA HA 1 74 GLU H . . 3.640 3.641 3.499 3.715 0.075 20 0 "[ . 1 . 2]" 1
972 1 71 ALA MB 1 72 GLU H . . 3.430 2.630 2.395 2.834 . 0 0 "[ . 1 . 2]" 1
973 1 71 ALA MB 1 73 GLN H . . 6.530 4.587 4.436 4.697 . 0 0 "[ . 1 . 2]" 1
974 1 71 ALA MB 1 74 GLU H . . 6.400 4.668 4.580 4.734 . 0 0 "[ . 1 . 2]" 1
975 1 72 GLU H 1 72 GLU HA . . 2.740 2.796 2.759 2.819 0.079 7 0 "[ . 1 . 2]" 1
976 1 72 GLU H 1 72 GLU HB2 . . 3.050 2.076 2.026 2.152 . 0 0 "[ . 1 . 2]" 1
977 1 72 GLU H 1 72 GLU QB . . 2.750 2.043 2.007 2.094 . 0 0 "[ . 1 . 2]" 1
978 1 72 GLU H 1 72 GLU HB3 . . 3.350 3.061 2.870 3.252 . 0 0 "[ . 1 . 2]" 1
979 1 72 GLU H 1 72 GLU HG2 . . 5.500 4.529 4.382 4.614 . 0 0 "[ . 1 . 2]" 1
980 1 72 GLU H 1 72 GLU QG . . 4.940 3.661 3.382 3.799 . 0 0 "[ . 1 . 2]" 1
981 1 72 GLU H 1 72 GLU HG3 . . 5.500 3.871 3.510 4.074 . 0 0 "[ . 1 . 2]" 1
982 1 72 GLU H 1 73 GLN H . . 2.800 2.617 2.545 2.731 . 0 0 "[ . 1 . 2]" 1
983 1 72 GLU HA 1 74 GLU H . . 4.510 4.003 3.898 4.141 . 0 0 "[ . 1 . 2]" 1
984 1 72 GLU HA 1 75 ASN H . . 3.580 3.594 3.551 3.630 0.050 17 0 "[ . 1 . 2]" 1
985 1 72 GLU HA 1 75 ASN HA . . 5.500 4.979 4.914 5.074 . 0 0 "[ . 1 . 2]" 1
986 1 72 GLU HA 1 76 MET H . . 3.330 2.787 2.622 3.049 . 0 0 "[ . 1 . 2]" 1
987 1 72 GLU QB 1 73 GLN H . . 3.330 2.679 2.594 2.767 . 0 0 "[ . 1 . 2]" 1
988 1 72 GLU HB2 1 73 GLN H . . 3.550 3.362 3.169 3.574 0.024 15 0 "[ . 1 . 2]" 1
989 1 72 GLU HB3 1 73 GLN H . . 3.550 2.825 2.663 3.038 . 0 0 "[ . 1 . 2]" 1
990 1 72 GLU QG 1 73 GLN H . . 5.140 4.355 4.193 4.476 . 0 0 "[ . 1 . 2]" 1
991 1 72 GLU QG 1 75 ASN HA . . 6.380 5.735 5.657 5.786 . 0 0 "[ . 1 . 2]" 1
992 1 73 GLN H 1 73 GLN HA . . 2.870 2.705 2.693 2.725 . 0 0 "[ . 1 . 2]" 1
993 1 73 GLN H 1 73 GLN QB . . 3.610 2.050 2.001 2.133 . 0 0 "[ . 1 . 2]" 1
994 1 73 GLN H 1 73 GLN HG2 . . 4.320 3.928 3.477 4.197 . 0 0 "[ . 1 . 2]" 1
995 1 73 GLN H 1 73 GLN QG . . 3.970 3.504 2.958 3.834 . 0 0 "[ . 1 . 2]" 1
996 1 73 GLN H 1 73 GLN HG3 . . 4.320 3.967 3.190 4.445 0.125 19 0 "[ . 1 . 2]" 1
997 1 73 GLN H 1 74 GLU H . . 2.770 2.822 2.776 2.847 0.077 8 0 "[ . 1 . 2]" 1
998 1 73 GLN H 1 75 ASN H . . 4.540 4.223 4.082 4.285 . 0 0 "[ . 1 . 2]" 1
999 1 73 GLN H 1 81 LEU MD1 . . 6.530 2.157 2.011 2.571 . 0 0 "[ . 1 . 2]" 1
1000 1 73 GLN HA 1 73 GLN HG2 . . 3.520 2.503 1.956 3.629 0.109 5 0 "[ . 1 . 2]" 1
1001 1 73 GLN HA 1 73 GLN HG3 . . 3.520 3.054 2.768 3.389 . 0 0 "[ . 1 . 2]" 1
1002 1 73 GLN HA 1 74 GLU H . . 3.550 3.578 3.567 3.589 0.039 16 0 "[ . 1 . 2]" 1
1003 1 73 GLN QB 1 74 GLU H . . 3.990 2.881 2.764 3.049 . 0 0 "[ . 1 . 2]" 1
1004 1 73 GLN QB 1 81 LEU MD1 . . 6.120 2.245 1.776 2.731 . 0 0 "[ . 1 . 2]" 1
1005 1 73 GLN HB2 1 73 GLN HE22 . . 5.500 4.049 2.322 4.653 . 0 0 "[ . 1 . 2]" 1
1006 1 73 GLN HB2 1 81 LEU MD1 . . 6.530 2.289 1.815 2.808 . 0 0 "[ . 1 . 2]" 1
1007 1 73 GLN HB3 1 73 GLN HE22 . . 5.500 3.495 2.392 4.353 . 0 0 "[ . 1 . 2]" 1
1008 1 73 GLN HB3 1 81 LEU MD1 . . 6.530 3.295 2.525 3.735 . 0 0 "[ . 1 . 2]" 1
1009 1 73 GLN QG 1 81 LEU MD1 . . 5.620 2.402 1.691 3.736 . 0 0 "[ . 1 . 2]" 1
1010 1 73 GLN HG2 1 74 GLU H . . 5.440 4.398 3.033 5.021 . 0 0 "[ . 1 . 2]" 1
1011 1 73 GLN HG2 1 81 LEU MD1 . . 6.000 2.883 1.827 4.495 . 0 0 "[ . 1 . 2]" 1
1012 1 73 GLN HG3 1 74 GLU H . . 5.440 4.965 4.041 5.416 . 0 0 "[ . 1 . 2]" 1
1013 1 73 GLN HG3 1 81 LEU MD1 . . 6.000 2.620 1.871 4.021 . 0 0 "[ . 1 . 2]" 1
1014 1 74 GLU H 1 74 GLU HB2 . . 3.420 2.403 2.193 3.616 0.196 9 0 "[ . 1 . 2]" 1
1015 1 74 GLU H 1 74 GLU QB . . 3.130 2.228 2.163 2.821 . 0 0 "[ . 1 . 2]" 1
1016 1 74 GLU H 1 74 GLU HB3 . . 3.420 3.104 2.294 3.413 . 0 0 "[ . 1 . 2]" 1
1017 1 74 GLU H 1 74 GLU HG2 . . 4.450 3.958 2.161 4.239 . 0 0 "[ . 1 . 2]" 1
1018 1 74 GLU H 1 74 GLU QG . . 4.140 3.531 1.997 3.852 . 0 0 "[ . 1 . 2]" 1
1019 1 74 GLU H 1 74 GLU HG3 . . 4.450 3.994 2.351 4.423 . 0 0 "[ . 1 . 2]" 1
1020 1 74 GLU H 1 75 ASN H . . 2.770 2.800 2.731 2.847 0.077 16 0 "[ . 1 . 2]" 1
1021 1 74 GLU H 1 75 ASN HA . . 5.500 4.973 4.952 5.019 . 0 0 "[ . 1 . 2]" 1
1022 1 74 GLU H 1 76 MET H . . 4.450 4.426 4.348 4.494 0.044 15 0 "[ . 1 . 2]" 1
1023 1 74 GLU H 1 81 LEU MD1 . . 6.530 4.326 4.208 4.565 . 0 0 "[ . 1 . 2]" 1
1024 1 74 GLU H 1 81 LEU MD2 . . 6.530 4.892 4.664 5.299 . 0 0 "[ . 1 . 2]" 1
1025 1 74 GLU HA 1 76 MET H . . 5.500 5.202 5.123 5.287 . 0 0 "[ . 1 . 2]" 1
1026 1 74 GLU QG 1 75 ASN H . . 6.380 4.533 3.598 4.777 . 0 0 "[ . 1 . 2]" 1
1027 1 75 ASN H 1 76 MET H . . 2.740 2.230 2.164 2.291 . 0 0 "[ . 1 . 2]" 1
1028 1 75 ASN H 1 76 MET QB . . 5.170 4.240 4.135 4.300 . 0 0 "[ . 1 . 2]" 1
1029 1 75 ASN QB 1 76 MET H . . 4.520 2.183 2.037 2.331 . 0 0 "[ . 1 . 2]" 1
1030 1 75 ASN HB2 1 76 MET H . . 4.970 2.997 2.489 3.617 . 0 0 "[ . 1 . 2]" 1
1031 1 75 ASN HB3 1 76 MET H . . 4.970 2.313 2.055 2.790 . 0 0 "[ . 1 . 2]" 1
1032 1 76 MET H 1 76 MET HB2 . . 3.860 2.441 2.260 2.539 . 0 0 "[ . 1 . 2]" 1
1033 1 76 MET H 1 76 MET QB . . 3.510 2.402 2.235 2.489 . 0 0 "[ . 1 . 2]" 1
1034 1 76 MET H 1 76 MET HB3 . . 3.860 3.574 3.520 3.588 . 0 0 "[ . 1 . 2]" 1
1035 1 76 MET H 1 76 MET HG2 . . 5.340 2.374 2.124 4.004 . 0 0 "[ . 1 . 2]" 1
1036 1 76 MET H 1 76 MET QG . . 4.720 2.325 2.108 3.451 . 0 0 "[ . 1 . 2]" 1
1037 1 76 MET H 1 76 MET HG3 . . 5.340 3.654 3.522 3.830 . 0 0 "[ . 1 . 2]" 1
1038 1 76 MET H 1 77 THR H . . 4.570 4.526 4.511 4.532 . 0 0 "[ . 1 . 2]" 1
1039 1 76 MET HA 1 77 THR H . . 2.590 2.659 2.647 2.684 0.094 13 0 "[ . 1 . 2]" 1
1040 1 76 MET HA 1 77 THR HA . . 4.880 4.362 4.350 4.384 . 0 0 "[ . 1 . 2]" 1
1041 1 76 MET HA 1 77 THR MG . . 5.260 4.145 3.990 4.269 . 0 0 "[ . 1 . 2]" 1
1042 1 76 MET QB 1 77 THR HA . . 5.420 4.232 4.187 4.265 . 0 0 "[ . 1 . 2]" 1
1043 1 76 MET QB 1 80 GLU HB3 . . 5.640 2.252 2.096 2.432 . 0 0 "[ . 1 . 2]" 1
1044 1 76 MET HB2 1 77 THR H . . 3.270 3.294 3.202 3.458 0.188 13 0 "[ . 1 . 2]" 1
1045 1 76 MET HB3 1 77 THR H . . 3.270 2.177 2.079 2.245 . 0 0 "[ . 1 . 2]" 1
1046 1 76 MET QG 1 80 GLU HB3 . . 5.390 3.043 2.677 3.345 . 0 0 "[ . 1 . 2]" 1
1047 1 76 MET QG 1 80 GLU QG . . 6.660 3.979 3.354 4.398 . 0 0 "[ . 1 . 2]" 1
1048 1 76 MET QG 1 81 LEU H . . 6.100 5.240 5.036 5.425 . 0 0 "[ . 1 . 2]" 1
1049 1 76 MET HG2 1 77 THR H . . 4.820 4.797 4.318 4.879 0.059 2 0 "[ . 1 . 2]" 1
1050 1 76 MET HG3 1 77 THR H . . 4.820 4.608 3.766 4.742 . 0 0 "[ . 1 . 2]" 1
1051 1 77 THR H 1 77 THR HA . . 2.900 2.910 2.895 2.929 0.029 18 0 "[ . 1 . 2]" 1
1052 1 77 THR H 1 77 THR HB . . 3.080 2.730 2.620 2.888 . 0 0 "[ . 1 . 2]" 1
1053 1 77 THR H 1 77 THR MG . . 3.430 1.919 1.883 2.036 . 0 0 "[ . 1 . 2]" 1
1054 1 77 THR H 1 78 LEU H . . 4.940 4.500 4.401 4.555 . 0 0 "[ . 1 . 2]" 1
1055 1 77 THR H 1 80 GLU HB2 . . 3.730 2.524 2.358 2.657 . 0 0 "[ . 1 . 2]" 1
1056 1 77 THR H 1 80 GLU HB3 . . 3.670 3.781 3.734 3.857 0.187 8 0 "[ . 1 . 2]" 1
1057 1 77 THR H 1 80 GLU QG . . 5.290 4.107 3.135 4.397 . 0 0 "[ . 1 . 2]" 1
1058 1 77 THR HA 1 78 LEU H . . 3.110 2.648 2.526 2.790 . 0 0 "[ . 1 . 2]" 1
1059 1 77 THR HA 1 79 THR H . . 5.440 4.478 4.280 4.646 . 0 0 "[ . 1 . 2]" 1
1060 1 77 THR HB 1 78 LEU H . . 4.350 3.669 3.595 3.817 . 0 0 "[ . 1 . 2]" 1
1061 1 77 THR MG 1 78 LEU H . . 4.170 3.105 2.748 3.471 . 0 0 "[ . 1 . 2]" 1
1062 1 77 THR MG 1 79 THR H . . 6.000 2.151 1.903 2.637 . 0 0 "[ . 1 . 2]" 1
1063 1 77 THR MG 1 79 THR HB . . 6.340 1.946 1.874 1.998 . 0 0 "[ . 1 . 2]" 1
1064 1 77 THR MG 1 80 GLU H . . 5.720 1.866 1.801 1.904 . 0 0 "[ . 1 . 2]" 1
1065 1 77 THR MG 1 80 GLU HB3 . . 6.530 3.785 3.510 4.099 . 0 0 "[ . 1 . 2]" 1
1066 1 77 THR MG 1 80 GLU QG . . 6.600 3.266 2.889 3.607 . 0 0 "[ . 1 . 2]" 1
1067 1 78 LEU H 1 78 LEU HB2 . . 3.490 2.055 1.980 2.112 . 0 0 "[ . 1 . 2]" 1
1068 1 78 LEU H 1 78 LEU QB . . 3.240 2.036 1.963 2.093 . 0 0 "[ . 1 . 2]" 1
1069 1 78 LEU H 1 78 LEU HB3 . . 3.490 3.333 3.056 3.419 . 0 0 "[ . 1 . 2]" 1
1070 1 78 LEU H 1 78 LEU HG . . 5.500 3.862 3.134 4.275 . 0 0 "[ . 1 . 2]" 1
1071 1 78 LEU H 1 79 THR H . . 3.490 2.559 2.492 2.739 . 0 0 "[ . 1 . 2]" 1
1072 1 78 LEU H 1 80 GLU H . . 5.030 4.421 4.167 4.678 . 0 0 "[ . 1 . 2]" 1
1073 1 78 LEU H 1 81 LEU H . . 5.500 4.774 4.590 4.853 . 0 0 "[ . 1 . 2]" 1
1074 1 78 LEU HA 1 79 THR H . . 3.520 3.583 3.567 3.599 0.079 16 0 "[ . 1 . 2]" 1
1075 1 78 LEU HA 1 81 LEU H . . 3.950 3.370 3.217 3.441 . 0 0 "[ . 1 . 2]" 1
1076 1 78 LEU QB 1 79 THR H . . 3.220 2.852 2.771 2.933 . 0 0 "[ . 1 . 2]" 1
1077 1 78 LEU HB2 1 79 THR H . . 3.490 3.114 2.988 3.377 . 0 0 "[ . 1 . 2]" 1
1078 1 78 LEU HB3 1 79 THR H . . 3.490 3.350 2.944 3.502 0.012 8 0 "[ . 1 . 2]" 1
1079 1 78 LEU QD 1 79 THR H . . 7.450 4.144 3.981 4.279 . 0 0 "[ . 1 . 2]" 1
1080 1 78 LEU HG 1 79 THR H . . 5.250 5.095 4.929 5.252 0.002 8 0 "[ . 1 . 2]" 1
1081 1 79 THR H 1 79 THR HB . . 2.680 2.154 2.023 2.380 . 0 0 "[ . 1 . 2]" 1
1082 1 79 THR H 1 79 THR MG . . 4.330 3.619 3.530 3.673 . 0 0 "[ . 1 . 2]" 1
1083 1 79 THR H 1 80 GLU H . . 3.110 2.869 2.747 2.916 . 0 0 "[ . 1 . 2]" 1
1084 1 79 THR H 1 80 GLU QG . . 6.380 5.705 5.610 5.821 . 0 0 "[ . 1 . 2]" 1
1085 1 79 THR H 1 81 LEU H . . 4.230 4.154 3.995 4.254 0.024 5 0 "[ . 1 . 2]" 1
1086 1 79 THR HA 1 79 THR HB . . 2.960 3.030 2.987 3.064 0.104 1 0 "[ . 1 . 2]" 1
1087 1 79 THR HA 1 79 THR MG . . 3.610 2.616 2.453 2.730 . 0 0 "[ . 1 . 2]" 1
1088 1 79 THR HA 1 80 GLU H . . 3.610 3.626 3.610 3.632 0.022 10 0 "[ . 1 . 2]" 1
1089 1 79 THR HA 1 81 LEU H . . 4.880 4.538 4.352 4.779 . 0 0 "[ . 1 . 2]" 1
1090 1 79 THR HA 1 82 LYS H . . 4.070 3.404 3.292 3.602 . 0 0 "[ . 1 . 2]" 1
1091 1 79 THR HA 1 82 LYS HB2 . . 3.610 2.942 2.626 3.320 . 0 0 "[ . 1 . 2]" 1
1092 1 79 THR HA 1 83 LYS H . . 4.720 4.351 4.236 4.405 . 0 0 "[ . 1 . 2]" 1
1093 1 79 THR HB 1 80 GLU H . . 2.710 2.637 2.438 2.746 0.036 2 0 "[ . 1 . 2]" 1
1094 1 79 THR HB 1 80 GLU QG . . 6.380 4.737 4.298 5.040 . 0 0 "[ . 1 . 2]" 1
1095 1 79 THR MG 1 80 GLU H . . 4.170 2.916 2.431 3.404 . 0 0 "[ . 1 . 2]" 1
1096 1 79 THR MG 1 80 GLU QG . . 6.630 3.617 3.045 4.551 . 0 0 "[ . 1 . 2]" 1
1097 1 80 GLU H 1 80 GLU HA . . 2.680 2.748 2.725 2.798 0.118 12 0 "[ . 1 . 2]" 1
1098 1 80 GLU H 1 80 GLU HB2 . . 2.990 2.043 2.022 2.120 . 0 0 "[ . 1 . 2]" 1
1099 1 80 GLU H 1 80 GLU HB3 . . 3.390 3.311 3.248 3.423 0.033 16 0 "[ . 1 . 2]" 1
1100 1 80 GLU H 1 80 GLU QG . . 4.240 3.222 3.109 3.522 . 0 0 "[ . 1 . 2]" 1
1101 1 80 GLU H 1 81 LEU H . . 2.960 2.767 2.576 2.835 . 0 0 "[ . 1 . 2]" 1
1102 1 80 GLU HA 1 80 GLU HB2 . . 3.020 2.910 2.879 2.986 . 0 0 "[ . 1 . 2]" 1
1103 1 80 GLU HA 1 80 GLU HB3 . . 2.990 2.846 2.739 2.881 . 0 0 "[ . 1 . 2]" 1
1104 1 80 GLU HA 1 81 LEU H . . 3.610 3.613 3.582 3.626 0.016 5 0 "[ . 1 . 2]" 1
1105 1 80 GLU HA 1 82 LYS H . . 4.480 4.159 4.020 4.452 . 0 0 "[ . 1 . 2]" 1
1106 1 80 GLU HA 1 83 LYS H . . 3.020 3.072 2.998 3.143 0.123 8 0 "[ . 1 . 2]" 1
1107 1 80 GLU HA 1 83 LYS QB . . 4.800 2.246 2.075 2.443 . 0 0 "[ . 1 . 2]" 1
1108 1 80 GLU HA 1 84 VAL H . . 4.690 4.064 3.858 4.260 . 0 0 "[ . 1 . 2]" 1
1109 1 80 GLU HB2 1 81 LEU H . . 2.990 3.072 2.963 3.128 0.138 7 0 "[ . 1 . 2]" 1
1110 1 80 GLU HB3 1 81 LEU H . . 3.610 3.025 2.854 3.436 . 0 0 "[ . 1 . 2]" 1
1111 1 80 GLU QG 1 81 LEU H . . 6.010 4.473 4.418 4.686 . 0 0 "[ . 1 . 2]" 1
1112 1 80 GLU QG 1 84 VAL MG1 . . 5.390 3.738 3.669 3.844 . 0 0 "[ . 1 . 2]" 1
1113 1 80 GLU QG 1 84 VAL MG2 . . 7.410 5.240 5.043 5.399 . 0 0 "[ . 1 . 2]" 1
1114 1 81 LEU H 1 81 LEU HA . . 2.930 2.773 2.741 2.796 . 0 0 "[ . 1 . 2]" 1
1115 1 81 LEU H 1 81 LEU HB2 . . 2.620 2.198 2.057 2.259 . 0 0 "[ . 1 . 2]" 1
1116 1 81 LEU H 1 81 LEU MD1 . . 4.980 4.060 3.890 4.211 . 0 0 "[ . 1 . 2]" 1
1117 1 81 LEU H 1 81 LEU MD2 . . 4.700 2.389 1.892 3.721 . 0 0 "[ . 1 . 2]" 1
1118 1 81 LEU H 1 81 LEU HG . . 3.420 3.255 2.828 3.512 0.092 2 0 "[ . 1 . 2]" 1
1119 1 81 LEU H 1 82 LYS H . . 2.930 2.702 2.636 2.863 . 0 0 "[ . 1 . 2]" 1
1120 1 81 LEU H 1 82 LYS HB2 . . 5.190 4.602 4.494 4.803 . 0 0 "[ . 1 . 2]" 1
1121 1 81 LEU H 1 84 VAL MG1 . . 6.530 4.584 4.501 4.702 . 0 0 "[ . 1 . 2]" 1
1122 1 81 LEU HA 1 81 LEU MD2 . . 4.050 1.927 1.866 2.040 . 0 0 "[ . 1 . 2]" 1
1123 1 81 LEU HA 1 83 LYS H . . 5.160 4.186 4.074 4.395 . 0 0 "[ . 1 . 2]" 1
1124 1 81 LEU HA 1 84 VAL H . . 3.730 3.495 3.427 3.615 . 0 0 "[ . 1 . 2]" 1
1125 1 81 LEU HA 1 84 VAL HB . . 4.880 4.830 4.693 4.930 0.050 3 0 "[ . 1 . 2]" 1
1126 1 81 LEU HB2 1 81 LEU MD1 . . 3.610 2.919 2.453 3.148 . 0 0 "[ . 1 . 2]" 1
1127 1 81 LEU HB2 1 81 LEU HG . . 2.400 2.277 2.224 2.401 0.001 20 0 "[ . 1 . 2]" 1
1128 1 81 LEU HB2 1 82 LYS H . . 3.830 2.954 2.753 3.203 . 0 0 "[ . 1 . 2]" 1
1129 1 81 LEU HB3 1 82 LYS H . . 3.580 3.582 3.305 3.696 0.116 17 0 "[ . 1 . 2]" 1
1130 1 81 LEU MD1 1 82 LYS H . . 6.310 4.987 4.789 5.050 . 0 0 "[ . 1 . 2]" 1
1131 1 81 LEU MD2 1 82 LYS H . . 6.530 4.283 4.123 4.701 . 0 0 "[ . 1 . 2]" 1
1132 1 81 LEU HG 1 82 LYS H . . 5.440 5.028 4.932 5.137 . 0 0 "[ . 1 . 2]" 1
1133 1 82 LYS H 1 82 LYS HB2 . . 2.900 2.120 2.087 2.146 . 0 0 "[ . 1 . 2]" 1
1134 1 82 LYS H 1 82 LYS HB3 . . 3.210 2.944 2.901 2.982 . 0 0 "[ . 1 . 2]" 1
1135 1 82 LYS H 1 83 LYS H . . 2.800 2.495 2.458 2.594 . 0 0 "[ . 1 . 2]" 1
1136 1 82 LYS H 1 84 VAL H . . 4.410 4.332 4.263 4.428 0.018 15 0 "[ . 1 . 2]" 1
1137 1 82 LYS HA 1 82 LYS HB2 . . 2.710 2.729 2.705 2.746 0.036 7 0 "[ . 1 . 2]" 1
1138 1 82 LYS HA 1 82 LYS HB3 . . 2.960 2.959 2.949 2.972 0.012 15 0 "[ . 1 . 2]" 1
1139 1 82 LYS HA 1 82 LYS QD . . 4.180 3.095 2.576 3.781 . 0 0 "[ . 1 . 2]" 1
1140 1 82 LYS HA 1 82 LYS QG . . 3.710 2.036 1.961 2.156 . 0 0 "[ . 1 . 2]" 1
1141 1 82 LYS HA 1 85 ILE H . . 4.510 3.389 3.234 3.506 . 0 0 "[ . 1 . 2]" 1
1142 1 82 LYS HA 1 85 ILE HB . . 3.890 2.151 1.978 2.316 . 0 0 "[ . 1 . 2]" 1
1143 1 82 LYS HA 1 85 ILE MD . . 5.540 4.484 2.810 4.681 . 0 0 "[ . 1 . 2]" 1
1144 1 82 LYS HA 1 85 ILE MG . . 5.720 3.245 3.023 3.503 . 0 0 "[ . 1 . 2]" 1
1145 1 82 LYS HB2 1 82 LYS QD . . 3.280 2.204 1.973 2.898 . 0 0 "[ . 1 . 2]" 1
1146 1 82 LYS HB2 1 83 LYS H . . 3.700 3.658 3.582 3.709 0.009 17 0 "[ . 1 . 2]" 1
1147 1 82 LYS HB3 1 82 LYS QD . . 3.540 2.978 2.165 3.218 . 0 0 "[ . 1 . 2]" 1
1148 1 82 LYS HB3 1 83 LYS H . . 3.240 3.085 2.944 3.200 . 0 0 "[ . 1 . 2]" 1
1149 1 82 LYS HB3 1 83 LYS HA . . 4.540 4.057 4.010 4.092 . 0 0 "[ . 1 . 2]" 1
1150 1 82 LYS QD 1 83 LYS H . . 6.380 5.156 4.572 5.303 . 0 0 "[ . 1 . 2]" 1
1151 1 82 LYS QG 1 83 LYS H . . 6.380 4.459 4.372 4.518 . 0 0 "[ . 1 . 2]" 1
1152 1 83 LYS H 1 83 LYS HB2 . . 3.080 2.041 2.011 2.086 . 0 0 "[ . 1 . 2]" 1
1153 1 83 LYS H 1 83 LYS HB3 . . 3.080 3.087 2.976 3.205 0.125 20 0 "[ . 1 . 2]" 1
1154 1 83 LYS H 1 83 LYS HG2 . . 4.380 4.092 3.758 4.475 0.095 20 0 "[ . 1 . 2]" 1
1155 1 83 LYS H 1 83 LYS QG . . 4.200 3.660 3.522 3.888 . 0 0 "[ . 1 . 2]" 1
1156 1 83 LYS H 1 83 LYS HG3 . . 4.380 4.183 3.727 4.378 . 0 0 "[ . 1 . 2]" 1
1157 1 83 LYS H 1 84 VAL H . . 2.830 2.712 2.641 2.783 . 0 0 "[ . 1 . 2]" 1
1158 1 83 LYS H 1 84 VAL HA . . 5.380 5.248 5.191 5.307 . 0 0 "[ . 1 . 2]" 1
1159 1 83 LYS H 1 84 VAL MG1 . . 6.530 4.063 3.952 4.235 . 0 0 "[ . 1 . 2]" 1
1160 1 83 LYS H 1 84 VAL MG2 . . 6.530 3.901 3.740 4.036 . 0 0 "[ . 1 . 2]" 1
1161 1 83 LYS HA 1 83 LYS HB2 . . 3.020 2.797 2.733 2.862 . 0 0 "[ . 1 . 2]" 1
1162 1 83 LYS HA 1 83 LYS HB3 . . 3.020 2.912 2.856 2.957 . 0 0 "[ . 1 . 2]" 1
1163 1 83 LYS HA 1 83 LYS HG2 . . 3.760 2.548 1.969 3.512 . 0 0 "[ . 1 . 2]" 1
1164 1 83 LYS HA 1 83 LYS HG3 . . 3.760 2.950 2.045 3.505 . 0 0 "[ . 1 . 2]" 1
1165 1 83 LYS HA 1 84 VAL H . . 3.550 3.631 3.629 3.633 0.083 11 0 "[ . 1 . 2]" 1
1166 1 83 LYS HA 1 86 ALA H . . 3.610 3.468 3.352 3.582 . 0 0 "[ . 1 . 2]" 1
1167 1 83 LYS HA 1 86 ALA MB . . 4.230 2.685 2.535 2.971 . 0 0 "[ . 1 . 2]" 1
1168 1 83 LYS HA 1 87 ASP H . . 5.130 4.374 4.301 4.536 . 0 0 "[ . 1 . 2]" 1
1169 1 83 LYS QB 1 84 VAL H . . 3.210 2.552 2.519 2.589 . 0 0 "[ . 1 . 2]" 1
1170 1 83 LYS QB 1 84 VAL HB . . 6.380 5.191 5.155 5.263 . 0 0 "[ . 1 . 2]" 1
1171 1 83 LYS QB 1 84 VAL MG1 . . 7.310 2.867 2.694 3.094 . 0 0 "[ . 1 . 2]" 1
1172 1 83 LYS HB2 1 84 VAL H . . 3.420 3.247 3.084 3.396 . 0 0 "[ . 1 . 2]" 1
1173 1 83 LYS HB3 1 84 VAL H . . 3.420 2.674 2.596 2.775 . 0 0 "[ . 1 . 2]" 1
1174 1 83 LYS QG 1 86 ALA MB . . 6.760 3.976 3.521 4.275 . 0 0 "[ . 1 . 2]" 1
1175 1 84 VAL H 1 84 VAL HB . . 3.520 3.522 3.517 3.529 0.009 15 0 "[ . 1 . 2]" 1
1176 1 84 VAL H 1 84 VAL MG1 . . 3.770 2.065 1.931 2.193 . 0 0 "[ . 1 . 2]" 1
1177 1 84 VAL H 1 84 VAL MG2 . . 3.610 2.195 2.060 2.260 . 0 0 "[ . 1 . 2]" 1
1178 1 84 VAL H 1 85 ILE H . . 2.800 2.649 2.591 2.791 . 0 0 "[ . 1 . 2]" 1
1179 1 84 VAL H 1 86 ALA H . . 4.540 4.052 3.992 4.125 . 0 0 "[ . 1 . 2]" 1
1180 1 84 VAL HA 1 84 VAL MG1 . . 3.490 2.396 2.272 2.479 . 0 0 "[ . 1 . 2]" 1
1181 1 84 VAL HA 1 85 ILE H . . 3.580 3.605 3.583 3.626 0.046 11 0 "[ . 1 . 2]" 1
1182 1 84 VAL HA 1 86 ALA H . . 5.070 4.207 4.077 4.276 . 0 0 "[ . 1 . 2]" 1
1183 1 84 VAL HA 1 87 ASP H . . 3.640 3.013 2.948 3.075 . 0 0 "[ . 1 . 2]" 1
1184 1 84 VAL HA 1 87 ASP HB2 . . 2.990 2.106 1.904 2.201 . 0 0 "[ . 1 . 2]" 1
1185 1 84 VAL HA 1 87 ASP HB3 . . 3.170 3.090 2.980 3.347 0.177 11 0 "[ . 1 . 2]" 1
1186 1 84 VAL HA 1 88 ILE MD . . 6.530 5.080 4.174 5.337 . 0 0 "[ . 1 . 2]" 1
1187 1 84 VAL HB 1 85 ILE H . . 3.890 3.876 3.658 3.967 0.077 14 0 "[ . 1 . 2]" 1
1188 1 84 VAL MG1 1 85 ILE H . . 5.440 3.787 3.732 3.897 . 0 0 "[ . 1 . 2]" 1
1189 1 84 VAL MG1 1 86 ALA H . . 6.280 5.198 5.131 5.277 . 0 0 "[ . 1 . 2]" 1
1190 1 84 VAL MG1 1 87 ASP HB3 . . 5.750 4.757 4.622 4.833 . 0 0 "[ . 1 . 2]" 1
1191 1 84 VAL MG2 1 85 ILE H . . 4.420 2.011 1.863 2.164 . 0 0 "[ . 1 . 2]" 1
1192 1 84 VAL MG2 1 85 ILE HA . . 6.280 2.999 2.936 3.082 . 0 0 "[ . 1 . 2]" 1
1193 1 84 VAL MG2 1 86 ALA H . . 6.530 4.189 4.104 4.279 . 0 0 "[ . 1 . 2]" 1
1194 1 84 VAL MG2 1 87 ASP HB2 . . 5.690 4.742 4.526 4.818 . 0 0 "[ . 1 . 2]" 1
1195 1 84 VAL MG2 1 88 ILE MD . . 6.280 3.942 2.839 4.172 . 0 0 "[ . 1 . 2]" 1
1196 1 84 VAL MG2 1 88 ILE MG . . 7.560 4.125 3.834 5.151 . 0 0 "[ . 1 . 2]" 1
1197 1 85 ILE H 1 85 ILE HB . . 4.070 2.191 2.115 2.269 . 0 0 "[ . 1 . 2]" 1
1198 1 85 ILE H 1 85 ILE MD . . 5.230 3.946 3.727 4.172 . 0 0 "[ . 1 . 2]" 1
1199 1 85 ILE H 1 85 ILE HG12 . . 3.300 2.638 2.331 3.497 0.197 15 0 "[ . 1 . 2]" 1
1200 1 85 ILE H 1 85 ILE QG . . 3.010 2.509 2.295 2.750 . 0 0 "[ . 1 . 2]" 1
1201 1 85 ILE H 1 85 ILE HG13 . . 3.300 3.348 2.561 3.488 0.188 17 0 "[ . 1 . 2]" 1
1202 1 85 ILE H 1 85 ILE MG . . 4.670 3.623 3.564 3.667 . 0 0 "[ . 1 . 2]" 1
1203 1 85 ILE H 1 86 ALA H . . 2.710 2.707 2.634 2.831 0.121 11 0 "[ . 1 . 2]" 1
1204 1 85 ILE H 1 87 ASP H . . 4.200 3.836 3.732 3.976 . 0 0 "[ . 1 . 2]" 1
1205 1 85 ILE H 1 88 ILE H . . 4.760 4.542 4.505 4.582 . 0 0 "[ . 1 . 2]" 1
1206 1 85 ILE HA 1 85 ILE MD . . 4.080 2.491 2.287 3.634 . 0 0 "[ . 1 . 2]" 1
1207 1 85 ILE HA 1 85 ILE QG . . 4.000 2.386 2.146 2.572 . 0 0 "[ . 1 . 2]" 1
1208 1 85 ILE HA 1 85 ILE MG . . 3.680 2.591 2.537 2.698 . 0 0 "[ . 1 . 2]" 1
1209 1 85 ILE HA 1 86 ALA H . . 3.610 3.589 3.577 3.600 . 0 0 "[ . 1 . 2]" 1
1210 1 85 ILE HA 1 87 ASP H . . 5.500 4.055 3.964 4.304 . 0 0 "[ . 1 . 2]" 1
1211 1 85 ILE HA 1 88 ILE H . . 3.610 3.230 3.160 3.336 . 0 0 "[ . 1 . 2]" 1
1212 1 85 ILE HA 1 88 ILE HB . . 4.170 3.289 3.064 3.418 . 0 0 "[ . 1 . 2]" 1
1213 1 85 ILE HA 1 88 ILE MD . . 5.260 4.108 3.149 4.242 . 0 0 "[ . 1 . 2]" 1
1214 1 85 ILE HA 1 88 ILE QG . . 6.380 4.498 1.953 4.957 . 0 0 "[ . 1 . 2]" 1
1215 1 85 ILE HA 1 88 ILE MG . . 5.380 2.338 1.892 4.494 . 0 0 "[ . 1 . 2]" 1
1216 1 85 ILE HA 1 89 TYR H . . 5.380 3.357 3.066 3.476 . 0 0 "[ . 1 . 2]" 1
1217 1 85 ILE HA 1 89 TYR QD . . 5.750 5.266 4.577 5.494 . 0 0 "[ . 1 . 2]" 1
1218 1 85 ILE HB 1 86 ALA H . . 3.170 2.910 2.827 3.028 . 0 0 "[ . 1 . 2]" 1
1219 1 85 ILE HB 1 86 ALA HA . . 4.850 4.727 4.650 4.845 . 0 0 "[ . 1 . 2]" 1
1220 1 85 ILE HB 1 86 ALA MB . . 5.660 4.153 4.058 4.276 . 0 0 "[ . 1 . 2]" 1
1221 1 85 ILE MD 1 86 ALA H . . 6.530 4.902 4.827 4.996 . 0 0 "[ . 1 . 2]" 1
1222 1 85 ILE MD 1 89 TYR QD . . 8.670 4.387 3.423 5.329 . 0 0 "[ . 1 . 2]" 1
1223 1 85 ILE MD 1 89 TYR QE . . 8.660 3.971 3.294 5.168 . 0 0 "[ . 1 . 2]" 1
1224 1 85 ILE HG12 1 86 ALA H . . 5.380 4.727 4.615 5.090 . 0 0 "[ . 1 . 2]" 1
1225 1 85 ILE HG13 1 86 ALA H . . 5.380 5.072 4.742 5.179 . 0 0 "[ . 1 . 2]" 1
1226 1 85 ILE MG 1 86 ALA H . . 3.990 3.207 3.044 3.331 . 0 0 "[ . 1 . 2]" 1
1227 1 85 ILE MG 1 86 ALA HA . . 4.670 3.305 3.102 3.415 . 0 0 "[ . 1 . 2]" 1
1228 1 85 ILE MG 1 86 ALA MB . . 7.520 3.608 3.485 3.761 . 0 0 "[ . 1 . 2]" 1
1229 1 85 ILE MG 1 87 ASP H . . 5.910 4.692 4.610 4.834 . 0 0 "[ . 1 . 2]" 1
1230 1 85 ILE MG 1 89 TYR H . . 5.380 3.456 3.274 3.690 . 0 0 "[ . 1 . 2]" 1
1231 1 85 ILE MG 1 89 TYR QD . . 6.620 4.161 3.715 4.429 . 0 0 "[ . 1 . 2]" 1
1232 1 85 ILE MG 1 89 TYR QE . . 7.230 4.738 4.560 4.894 . 0 0 "[ . 1 . 2]" 1
1233 1 86 ALA H 1 86 ALA HA . . 2.770 2.851 2.836 2.864 0.094 8 0 "[ . 1 . 2]" 1
1234 1 86 ALA H 1 86 ALA MB . . 3.430 2.079 1.955 2.192 . 0 0 "[ . 1 . 2]" 1
1235 1 86 ALA H 1 87 ASP H . . 2.930 2.432 2.388 2.484 . 0 0 "[ . 1 . 2]" 1
1236 1 86 ALA H 1 89 TYR H . . 4.850 4.687 4.499 4.800 . 0 0 "[ . 1 . 2]" 1
1237 1 86 ALA HA 1 87 ASP H . . 3.520 3.524 3.492 3.575 0.055 15 0 "[ . 1 . 2]" 1
1238 1 86 ALA HA 1 88 ILE H . . 5.500 4.082 4.000 4.137 . 0 0 "[ . 1 . 2]" 1
1239 1 86 ALA HA 1 89 TYR H . . 3.800 3.692 3.556 3.867 0.067 18 0 "[ . 1 . 2]" 1
1240 1 86 ALA MB 1 87 ASP H . . 4.020 2.953 2.796 3.039 . 0 0 "[ . 1 . 2]" 1
1241 1 86 ALA MB 1 89 TYR H . . 6.530 4.960 4.837 5.107 . 0 0 "[ . 1 . 2]" 1
1242 1 87 ASP H 1 87 ASP HA . . 2.870 2.837 2.799 2.856 . 0 0 "[ . 1 . 2]" 1
1243 1 87 ASP H 1 87 ASP HB2 . . 2.710 2.067 2.017 2.106 . 0 0 "[ . 1 . 2]" 1
1244 1 87 ASP H 1 87 ASP HB3 . . 3.350 3.114 3.056 3.273 . 0 0 "[ . 1 . 2]" 1
1245 1 87 ASP H 1 88 ILE H . . 2.460 2.340 2.259 2.482 0.022 5 0 "[ . 1 . 2]" 1
1246 1 87 ASP H 1 88 ILE MG . . 6.530 4.338 3.863 5.590 . 0 0 "[ . 1 . 2]" 1
1247 1 87 ASP H 1 89 TYR H . . 5.500 4.212 4.154 4.297 . 0 0 "[ . 1 . 2]" 1
1248 1 87 ASP HA 1 87 ASP HB2 . . 2.930 2.852 2.824 2.934 0.004 12 0 "[ . 1 . 2]" 1
1249 1 87 ASP HA 1 87 ASP HB3 . . 2.930 2.921 2.840 2.945 0.015 20 0 "[ . 1 . 2]" 1
1250 1 87 ASP HA 1 88 ILE H . . 3.520 3.550 3.539 3.571 0.051 5 0 "[ . 1 . 2]" 1
1251 1 87 ASP HB2 1 88 ILE H . . 3.450 3.378 3.182 3.463 0.013 3 0 "[ . 1 . 2]" 1
1252 1 87 ASP HB2 1 88 ILE HB . . 5.500 4.895 4.618 5.807 0.307 11 0 "[ . 1 . 2]" 1
1253 1 87 ASP HB2 1 88 ILE MG . . 6.530 5.280 5.067 5.599 . 0 0 "[ . 1 . 2]" 1
1254 1 87 ASP HB3 1 88 ILE H . . 3.360 3.182 3.098 3.380 0.020 12 0 "[ . 1 . 2]" 1
1255 1 87 ASP HB3 1 88 ILE HA . . 4.720 3.933 3.886 4.025 . 0 0 "[ . 1 . 2]" 1
1256 1 87 ASP HB3 1 88 ILE MG . . 5.970 4.925 4.701 5.010 . 0 0 "[ . 1 . 2]" 1
1257 1 88 ILE H 1 88 ILE HB . . 2.930 2.413 2.281 2.900 . 0 0 "[ . 1 . 2]" 1
1258 1 88 ILE H 1 88 ILE MD . . 5.130 4.028 3.599 4.186 . 0 0 "[ . 1 . 2]" 1
1259 1 88 ILE H 1 88 ILE HG12 . . 4.690 4.284 2.136 4.694 0.004 20 0 "[ . 1 . 2]" 1
1260 1 88 ILE H 1 88 ILE QG . . 4.270 3.656 1.881 3.978 . 0 0 "[ . 1 . 2]" 1
1261 1 88 ILE H 1 88 ILE HG13 . . 4.690 3.980 2.089 4.308 . 0 0 "[ . 1 . 2]" 1
1262 1 88 ILE H 1 88 ILE MG . . 4.330 2.624 2.270 3.785 . 0 0 "[ . 1 . 2]" 1
1263 1 88 ILE H 1 89 TYR H . . 5.500 2.479 2.411 2.545 . 0 0 "[ . 1 . 2]" 1
1264 1 88 ILE HA 1 88 ILE MD . . 4.450 3.417 3.088 3.704 . 0 0 "[ . 1 . 2]" 1
1265 1 88 ILE HA 1 89 TYR H . . 3.550 3.637 3.636 3.640 0.090 11 0 "[ . 1 . 2]" 1
1266 1 88 ILE HB 1 89 TYR H . . 5.500 3.307 2.232 3.574 . 0 0 "[ . 1 . 2]" 1
1267 1 88 ILE HB 1 89 TYR QD . . 6.620 4.443 3.415 4.830 . 0 0 "[ . 1 . 2]" 1
1268 1 88 ILE MD 1 89 TYR H . . 6.530 4.677 4.340 4.787 . 0 0 "[ . 1 . 2]" 1
1269 1 88 ILE MD 1 89 TYR QD . . 8.420 4.240 3.781 4.830 . 0 0 "[ . 1 . 2]" 1
1270 1 88 ILE MD 1 89 TYR QE . . 7.850 3.294 2.767 4.105 . 0 0 "[ . 1 . 2]" 1
1271 1 88 ILE QG 1 89 TYR H . . 4.930 3.888 3.084 4.052 . 0 0 "[ . 1 . 2]" 1
1272 1 88 ILE QG 1 89 TYR QD . . 7.060 2.839 2.036 4.856 . 0 0 "[ . 1 . 2]" 1
1273 1 88 ILE QG 1 89 TYR QE . . 8.510 2.504 2.015 4.857 . 0 0 "[ . 1 . 2]" 1
1274 1 88 ILE HG12 1 89 TYR H . . 5.250 4.283 4.062 4.450 . 0 0 "[ . 1 . 2]" 1
1275 1 88 ILE HG13 1 89 TYR H . . 5.250 4.526 3.195 4.823 . 0 0 "[ . 1 . 2]" 1
1276 1 88 ILE MG 1 89 TYR H . . 6.530 2.028 1.713 3.798 . 0 0 "[ . 1 . 2]" 1
1277 1 88 ILE MG 1 89 TYR QD . . 7.060 2.567 2.120 2.647 . 0 0 "[ . 1 . 2]" 1
1278 1 88 ILE MG 1 89 TYR QE . . 7.820 2.800 1.997 2.952 . 0 0 "[ . 1 . 2]" 1
1279 1 89 TYR H 1 90 PRO HD2 . . 5.160 4.895 4.816 4.964 . 0 0 "[ . 1 . 2]" 1
1280 1 89 TYR H 1 90 PRO HD3 . . 4.550 4.228 4.034 4.508 . 0 0 "[ . 1 . 2]" 1
1281 1 89 TYR HA 1 90 PRO HD2 . . 2.990 2.598 2.428 2.823 . 0 0 "[ . 1 . 2]" 1
1282 1 89 TYR HA 1 90 PRO HD3 . . 3.210 1.957 1.917 2.061 . 0 0 "[ . 1 . 2]" 1
1283 1 89 TYR QB 1 90 PRO HD2 . . 6.380 2.467 2.005 2.827 . 0 0 "[ . 1 . 2]" 1
1284 1 89 TYR QB 1 90 PRO HD3 . . 6.380 3.296 2.945 3.558 . 0 0 "[ . 1 . 2]" 1
1285 1 89 TYR QD 1 90 PRO HD2 . . 7.520 4.126 3.835 4.427 . 0 0 "[ . 1 . 2]" 1
1286 1 89 TYR QD 1 90 PRO HD3 . . 6.490 4.758 4.554 4.935 . 0 0 "[ . 1 . 2]" 1
1287 1 90 PRO QB 1 91 GLY H . . 4.050 2.461 1.880 3.331 . 0 0 "[ . 1 . 2]" 1
1288 1 90 PRO HB2 1 91 GLY H . . 4.410 3.418 3.098 4.151 . 0 0 "[ . 1 . 2]" 1
1289 1 90 PRO HB3 1 91 GLY H . . 4.410 2.550 1.889 3.597 . 0 0 "[ . 1 . 2]" 1
1290 1 91 GLY H 1 92 GLN H . . 3.670 3.678 3.550 3.766 0.096 7 0 "[ . 1 . 2]" 1
1291 1 92 GLN H 1 92 GLN HB2 . . 3.140 2.708 2.291 3.180 0.040 9 0 "[ . 1 . 2]" 1
1292 1 92 GLN H 1 92 GLN QB . . 2.890 2.382 2.237 2.467 . 0 0 "[ . 1 . 2]" 1
1293 1 92 GLN H 1 92 GLN HB3 . . 3.140 2.789 2.341 3.129 . 0 0 "[ . 1 . 2]" 1
1294 1 92 GLN H 1 92 GLN QG . . 4.770 4.001 3.760 4.111 . 0 0 "[ . 1 . 2]" 1
1295 1 92 GLN H 1 93 THR MG . . 6.530 2.788 2.416 5.333 . 0 0 "[ . 1 . 2]" 1
1296 1 92 GLN HA 1 92 GLN QG . . 3.970 2.217 1.986 2.595 . 0 0 "[ . 1 . 2]" 1
1297 1 92 GLN HA 1 93 THR H . . 3.170 2.556 2.246 3.155 . 0 0 "[ . 1 . 2]" 1
1298 1 92 GLN HB2 1 92 GLN HE22 . . 5.380 4.247 3.494 4.666 . 0 0 "[ . 1 . 2]" 1
1299 1 92 GLN HB2 1 93 THR H . . 5.500 4.610 3.344 4.738 . 0 0 "[ . 1 . 2]" 1
1300 1 92 GLN HB3 1 92 GLN HE22 . . 5.380 3.797 2.549 4.342 . 0 0 "[ . 1 . 2]" 1
1301 1 92 GLN HB3 1 93 THR H . . 5.500 4.332 1.942 4.644 . 0 0 "[ . 1 . 2]" 1
1302 1 92 GLN QG 1 93 THR H . . 6.350 3.936 1.967 4.509 . 0 0 "[ . 1 . 2]" 1
1303 1 93 THR H 1 93 THR MG . . 4.050 2.599 1.917 2.823 . 0 0 "[ . 1 . 2]" 1
1304 1 93 THR H 1 94 GLN H . . 4.540 4.421 4.356 4.666 0.126 12 0 "[ . 1 . 2]" 1
1305 1 93 THR HA 1 93 THR HB . . 2.400 2.418 2.396 2.451 0.051 1 0 "[ . 1 . 2]" 1
1306 1 93 THR HA 1 93 THR MG . . 3.430 2.598 2.495 2.644 . 0 0 "[ . 1 . 2]" 1
1307 1 93 THR HB 1 94 GLN H . . 4.260 2.912 2.766 3.021 . 0 0 "[ . 1 . 2]" 1
1308 1 93 THR MG 1 94 GLN H . . 6.530 4.149 4.063 4.211 . 0 0 "[ . 1 . 2]" 1
1309 1 94 GLN H 1 94 GLN HB2 . . 3.580 2.433 2.097 3.554 . 0 0 "[ . 1 . 2]" 1
1310 1 94 GLN H 1 94 GLN QB . . 3.340 2.306 2.064 2.503 . 0 0 "[ . 1 . 2]" 1
1311 1 94 GLN H 1 94 GLN HB3 . . 3.580 3.361 2.143 3.575 . 0 0 "[ . 1 . 2]" 1
1312 1 94 GLN H 1 94 GLN HG2 . . 4.480 3.826 1.933 4.258 . 0 0 "[ . 1 . 2]" 1
1313 1 94 GLN H 1 94 GLN QG . . 4.030 2.680 1.922 3.742 . 0 0 "[ . 1 . 2]" 1
1314 1 94 GLN H 1 94 GLN HG3 . . 4.480 2.865 2.286 4.474 . 0 0 "[ . 1 . 2]" 1
1315 1 94 GLN H 1 95 PHE H . . 5.100 4.647 4.580 4.668 . 0 0 "[ . 1 . 2]" 1
1316 1 94 GLN HA 1 95 PHE H . . 2.490 2.334 2.265 2.464 . 0 0 "[ . 1 . 2]" 1
1317 1 94 GLN QB 1 95 PHE H . . 4.060 2.989 2.517 3.583 . 0 0 "[ . 1 . 2]" 1
1318 1 94 GLN HB2 1 95 PHE H . . 4.260 4.085 2.551 4.397 0.137 12 0 "[ . 1 . 2]" 1
1319 1 94 GLN HB3 1 95 PHE H . . 4.260 3.161 2.828 4.120 . 0 0 "[ . 1 . 2]" 1
1320 1 94 GLN QG 1 95 PHE H . . 4.140 3.394 2.003 3.745 . 0 0 "[ . 1 . 2]" 1
1321 1 94 GLN HG2 1 95 PHE H . . 4.540 3.713 2.122 4.583 0.043 14 0 "[ . 1 . 2]" 1
1322 1 94 GLN HG3 1 95 PHE H . . 4.540 4.142 2.042 4.545 0.005 4 0 "[ . 1 . 2]" 1
1323 1 95 PHE H 1 96 TYR H . . 4.940 4.369 4.365 4.383 . 0 0 "[ . 1 . 2]" 1
1324 1 95 PHE HA 1 96 TYR H . . 2.650 2.676 2.665 2.688 0.038 18 0 "[ . 1 . 2]" 1
1325 1 95 PHE QB 1 96 TYR QD . . 8.520 4.931 4.506 5.239 . 0 0 "[ . 1 . 2]" 1
1326 1 95 PHE QD 1 96 TYR H . . 7.370 2.842 2.008 4.163 . 0 0 "[ . 1 . 2]" 1
1327 1 96 TYR H 1 96 TYR HA . . 2.830 2.853 2.783 2.896 0.066 13 0 "[ . 1 . 2]" 1
1328 1 96 TYR H 1 96 TYR HB2 . . 3.730 1.875 1.847 1.923 . 0 0 "[ . 1 . 2]" 1
1329 1 96 TYR H 1 96 TYR QB . . 3.450 1.860 1.833 1.905 . 0 0 "[ . 1 . 2]" 1
1330 1 96 TYR H 1 96 TYR HB3 . . 3.730 3.103 3.040 3.217 . 0 0 "[ . 1 . 2]" 1
1331 1 96 TYR H 1 97 VAL H . . 5.500 4.614 4.484 4.663 . 0 0 "[ . 1 . 2]" 1
1332 1 96 TYR H 1 97 VAL MG2 . . 5.970 4.534 4.436 4.771 . 0 0 "[ . 1 . 2]" 1
1333 1 96 TYR HA 1 97 VAL H . . 2.400 2.258 2.188 2.334 . 0 0 "[ . 1 . 2]" 1
1334 1 96 TYR QB 1 97 VAL H . . 3.950 3.354 3.076 3.668 . 0 0 "[ . 1 . 2]" 1
1335 1 96 TYR HB2 1 97 VAL H . . 4.500 4.454 4.301 4.632 0.132 13 0 "[ . 1 . 2]" 1
1336 1 96 TYR HB3 1 97 VAL H . . 4.200 3.471 3.149 3.845 . 0 0 "[ . 1 . 2]" 1
1337 1 96 TYR QD 1 97 VAL H . . 7.640 3.740 2.878 4.267 . 0 0 "[ . 1 . 2]" 1
1338 1 97 VAL H 1 97 VAL HB . . 2.740 2.549 2.378 2.676 . 0 0 "[ . 1 . 2]" 1
1339 1 97 VAL H 1 97 VAL MG1 . . 4.700 3.773 3.721 3.816 . 0 0 "[ . 1 . 2]" 1
1340 1 97 VAL H 1 97 VAL MG2 . . 4.170 3.019 2.713 3.151 . 0 0 "[ . 1 . 2]" 1
1341 1 97 VAL H 1 98 ILE H . . 4.850 4.363 4.218 4.526 . 0 0 "[ . 1 . 2]" 1
1342 1 97 VAL HA 1 98 ILE H . . 2.620 2.217 2.188 2.247 . 0 0 "[ . 1 . 2]" 1
1343 1 97 VAL HB 1 98 ILE H . . 5.070 4.276 4.190 4.376 . 0 0 "[ . 1 . 2]" 1
1344 1 97 VAL MG1 1 98 ILE H . . 4.110 2.484 2.231 2.775 . 0 0 "[ . 1 . 2]" 1
1345 1 97 VAL MG2 1 98 ILE H . . 5.630 3.971 3.886 4.027 . 0 0 "[ . 1 . 2]" 1
1346 1 98 ILE H 1 98 ILE HB . . 2.740 2.839 2.789 2.873 0.133 19 0 "[ . 1 . 2]" 1
1347 1 98 ILE H 1 98 ILE MD . . 4.980 3.182 2.818 3.468 . 0 0 "[ . 1 . 2]" 1
1348 1 98 ILE H 1 98 ILE HG12 . . 5.100 2.470 2.250 2.584 . 0 0 "[ . 1 . 2]" 1
1349 1 98 ILE H 1 98 ILE QG . . 4.620 2.446 2.234 2.557 . 0 0 "[ . 1 . 2]" 1
1350 1 98 ILE H 1 98 ILE HG13 . . 5.100 3.962 3.783 4.059 . 0 0 "[ . 1 . 2]" 1
1351 1 98 ILE H 1 99 GLU H . . 5.030 4.304 4.146 4.418 . 0 0 "[ . 1 . 2]" 1
1352 1 98 ILE HA 1 99 GLU H . . 2.400 2.187 2.177 2.205 . 0 0 "[ . 1 . 2]" 1
1353 1 98 ILE HB 1 99 GLU H . . 4.880 4.126 4.016 4.319 . 0 0 "[ . 1 . 2]" 1
1354 1 98 ILE MD 1 99 GLU H . . 4.980 3.894 3.798 4.010 . 0 0 "[ . 1 . 2]" 1
1355 1 98 ILE QG 1 99 GLU H . . 6.380 4.892 4.848 4.935 . 0 0 "[ . 1 . 2]" 1
1356 1 98 ILE MG 1 99 GLU H . . 4.110 2.611 2.429 2.916 . 0 0 "[ . 1 . 2]" 1
1357 1 98 ILE MG 1 100 PHE QD . . 7.470 4.551 3.302 5.150 . 0 0 "[ . 1 . 2]" 1
1358 1 99 GLU H 1 99 GLU HB2 . . 3.050 2.429 2.411 2.456 . 0 0 "[ . 1 . 2]" 1
1359 1 99 GLU H 1 99 GLU HB3 . . 3.110 2.824 2.797 2.844 . 0 0 "[ . 1 . 2]" 1
1360 1 99 GLU H 1 99 GLU QG . . 4.610 3.958 3.948 3.974 . 0 0 "[ . 1 . 2]" 1
1361 1 99 GLU H 1 100 PHE H . . 5.500 4.579 4.542 4.593 . 0 0 "[ . 1 . 2]" 1
1362 1 99 GLU H 1 100 PHE HA . . 5.500 5.183 5.115 5.244 . 0 0 "[ . 1 . 2]" 1
1363 1 99 GLU HA 1 99 GLU QG . . 3.460 2.166 2.056 2.240 . 0 0 "[ . 1 . 2]" 1
1364 1 99 GLU HA 1 100 PHE H . . 2.740 2.338 2.248 2.428 . 0 0 "[ . 1 . 2]" 1
1365 1 99 GLU HA 1 100 PHE QD . . 7.620 3.615 2.728 4.098 . 0 0 "[ . 1 . 2]" 1
1366 1 99 GLU HB2 1 100 PHE H . . 4.790 4.272 4.140 4.423 . 0 0 "[ . 1 . 2]" 1
1367 1 99 GLU HB3 1 100 PHE H . . 4.200 3.624 3.397 3.865 . 0 0 "[ . 1 . 2]" 1
1368 1 99 GLU QG 1 100 PHE H . . 6.380 2.383 1.935 2.706 . 0 0 "[ . 1 . 2]" 1
1369 1 100 PHE H 1 101 LYS H . . 5.500 4.415 4.397 4.464 . 0 0 "[ . 1 . 2]" 1
1370 1 100 PHE HA 1 100 PHE HB3 . . 2.900 2.533 2.422 2.620 . 0 0 "[ . 1 . 2]" 1
1371 1 100 PHE HA 1 101 LYS H . . 2.520 2.482 2.352 2.585 0.065 2 0 "[ . 1 . 2]" 1
1372 1 100 PHE HB2 1 101 LYS H . . 3.520 2.568 2.305 2.901 . 0 0 "[ . 1 . 2]" 1
1373 1 100 PHE HB3 1 101 LYS H . . 4.070 3.896 3.620 4.141 0.071 7 0 "[ . 1 . 2]" 1
1374 1 100 PHE QD 1 101 LYS H . . 7.620 3.183 2.617 3.976 . 0 0 "[ . 1 . 2]" 1
1375 1 100 PHE QD 1 101 LYS HA . . 6.660 3.090 2.515 4.097 . 0 0 "[ . 1 . 2]" 1
1376 1 101 LYS H 1 101 LYS HD2 . . 5.500 5.229 4.454 5.556 0.056 16 0 "[ . 1 . 2]" 1
1377 1 101 LYS H 1 101 LYS HD3 . . 5.500 5.026 4.790 5.394 . 0 0 "[ . 1 . 2]" 1
1378 1 101 LYS H 1 101 LYS HG2 . . 4.040 3.050 2.569 4.056 0.016 18 0 "[ . 1 . 2]" 1
1379 1 101 LYS H 1 101 LYS QG . . 3.650 2.767 2.454 3.395 . 0 0 "[ . 1 . 2]" 1
1380 1 101 LYS H 1 101 LYS HG3 . . 4.040 3.336 2.617 4.104 0.064 15 0 "[ . 1 . 2]" 1
1381 1 101 LYS HA 1 101 LYS HD2 . . 5.500 4.517 4.264 4.762 . 0 0 "[ . 1 . 2]" 1
1382 1 101 LYS HA 1 101 LYS HD3 . . 5.500 4.833 3.829 5.096 . 0 0 "[ . 1 . 2]" 1
1383 1 101 LYS HA 1 102 CYS H . . 2.620 2.349 2.248 2.466 . 0 0 "[ . 1 . 2]" 1
1384 1 101 LYS QB 1 101 LYS QD . . 2.680 2.087 2.025 2.149 . 0 0 "[ . 1 . 2]" 1
1385 1 101 LYS HB2 1 101 LYS HD2 . . 3.050 2.390 2.119 3.085 0.035 9 0 "[ . 1 . 2]" 1
1386 1 101 LYS HB2 1 101 LYS HD3 . . 3.050 3.055 3.004 3.181 0.131 9 0 "[ . 1 . 2]" 1
1387 1 101 LYS HB2 1 102 CYS H . . 4.690 3.086 2.722 4.169 . 0 0 "[ . 1 . 2]" 1
1388 1 101 LYS HB3 1 101 LYS HD2 . . 3.050 3.109 3.011 3.186 0.136 4 0 "[ . 1 . 2]" 1
1389 1 101 LYS HB3 1 101 LYS HD3 . . 3.050 2.729 2.121 3.080 0.030 4 0 "[ . 1 . 2]" 1
1390 1 101 LYS HB3 1 102 CYS H . . 4.690 3.959 2.588 4.432 . 0 0 "[ . 1 . 2]" 1
1391 1 101 LYS HD2 1 102 CYS H . . 5.500 4.626 4.191 5.617 0.117 9 0 "[ . 1 . 2]" 1
1392 1 101 LYS HD3 1 102 CYS H . . 5.500 5.420 4.167 5.637 0.137 16 0 "[ . 1 . 2]" 1
1393 1 101 LYS QG 1 102 CYS H . . 6.380 3.439 2.753 4.188 . 0 0 "[ . 1 . 2]" 1
1394 1 102 CYS H 1 102 CYS HB2 . . 2.960 2.868 2.313 2.995 0.035 2 0 "[ . 1 . 2]" 1
1395 1 102 CYS H 1 102 CYS HB3 . . 2.960 2.408 2.258 2.966 0.006 10 0 "[ . 1 . 2]" 1
1396 1 102 CYS H 1 103 LEU H . . 4.480 4.441 4.280 4.519 0.039 2 0 "[ . 1 . 2]" 1
1397 1 102 CYS HA 1 103 LEU H . . 2.870 2.287 2.227 2.768 . 0 0 "[ . 1 . 2]" 1
1398 1 102 CYS HA 1 103 LEU MD1 . . 5.810 4.636 4.361 4.816 . 0 0 "[ . 1 . 2]" 1
1399 1 102 CYS HA 1 103 LEU QD . . 5.460 4.102 3.829 4.170 . 0 0 "[ . 1 . 2]" 1
1400 1 102 CYS HA 1 103 LEU MD2 . . 5.810 4.600 4.019 4.813 . 0 0 "[ . 1 . 2]" 1
1401 1 102 CYS QB 1 103 LEU H . . 6.010 3.730 2.495 4.016 . 0 0 "[ . 1 . 2]" 1
1402 1 103 LEU H 1 103 LEU MD1 . . 5.130 3.199 2.582 3.922 . 0 0 "[ . 1 . 2]" 1
1403 1 103 LEU H 1 103 LEU QD . . 4.070 2.900 2.537 3.105 . 0 0 "[ . 1 . 2]" 1
1404 1 103 LEU H 1 103 LEU MD2 . . 5.130 3.479 3.038 3.931 . 0 0 "[ . 1 . 2]" 1
1405 1 103 LEU H 1 103 LEU HG . . 2.400 2.086 1.947 2.351 . 0 0 "[ . 1 . 2]" 1
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