NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
632289 |
6gdl   |
34263 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6gdl
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 843
_Distance_constraint_stats_list.Viol_count 243
_Distance_constraint_stats_list.Viol_total 311.581
_Distance_constraint_stats_list.Viol_max 0.216
_Distance_constraint_stats_list.Viol_rms 0.0096
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0641
_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 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 LEU 2.035 0.186 8 0 "[ . 1 . 2]"
1 5 THR 0.069 0.043 3 0 "[ . 1 . 2]"
1 6 GLU 0.214 0.076 19 0 "[ . 1 . 2]"
1 7 GLU 0.348 0.137 3 0 "[ . 1 . 2]"
1 8 GLN 0.215 0.054 1 0 "[ . 1 . 2]"
1 9 ILE 1.663 0.177 2 0 "[ . 1 . 2]"
1 10 ALA 0.348 0.137 3 0 "[ . 1 . 2]"
1 11 GLU 2.123 0.172 11 0 "[ . 1 . 2]"
1 12 PHE 4.392 0.186 8 0 "[ . 1 . 2]"
1 13 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ALA 1.786 0.125 20 0 "[ . 1 . 2]"
1 16 PHE 0.258 0.127 15 0 "[ . 1 . 2]"
1 17 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 PHE 1.557 0.125 20 0 "[ . 1 . 2]"
1 20 ASP 0.055 0.047 1 0 "[ . 1 . 2]"
1 21 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 THR 0.350 0.127 15 0 "[ . 1 . 2]"
1 27 ILE 0.636 0.163 6 0 "[ . 1 . 2]"
1 28 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 THR 0.411 0.147 9 0 "[ . 1 . 2]"
1 30 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LEU 1.182 0.205 5 0 "[ . 1 . 2]"
1 33 GLY 0.245 0.079 9 0 "[ . 1 . 2]"
1 34 THR 0.375 0.096 16 0 "[ . 1 . 2]"
1 35 VAL 1.013 0.205 5 0 "[ . 1 . 2]"
1 36 MET 0.803 0.193 18 0 "[ . 1 . 2]"
1 37 ARG 0.076 0.046 19 0 "[ . 1 . 2]"
1 38 SER 0.015 0.008 10 0 "[ . 1 . 2]"
1 39 LEU 0.535 0.172 11 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLN 0.010 0.010 4 0 "[ . 1 . 2]"
1 42 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 PRO 0.010 0.010 4 0 "[ . 1 . 2]"
1 44 THR 0.781 0.216 8 0 "[ . 1 . 2]"
1 45 GLU 0.200 0.055 6 0 "[ . 1 . 2]"
1 46 ALA 0.365 0.216 8 0 "[ . 1 . 2]"
1 47 GLU 0.070 0.070 3 0 "[ . 1 . 2]"
1 48 LEU 0.844 0.155 13 0 "[ . 1 . 2]"
1 49 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 MET 0.691 0.155 13 0 "[ . 1 . 2]"
1 52 ILE 0.239 0.087 4 0 "[ . 1 . 2]"
1 53 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLU 0.093 0.041 11 0 "[ . 1 . 2]"
1 55 VAL 0.147 0.094 6 0 "[ . 1 . 2]"
1 56 ASP 0.187 0.094 6 0 "[ . 1 . 2]"
1 57 ALA 0.053 0.053 12 0 "[ . 1 . 2]"
1 58 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ILE 0.482 0.153 7 0 "[ . 1 . 2]"
1 64 ASP 0.054 0.031 10 0 "[ . 1 . 2]"
1 65 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 PRO 0.046 0.031 10 0 "[ . 1 . 2]"
1 67 GLU 0.004 0.004 14 0 "[ . 1 . 2]"
1 68 PHE 0.358 0.112 14 0 "[ . 1 . 2]"
1 69 LEU 0.445 0.112 20 0 "[ . 1 . 2]"
1 70 THR 0.099 0.099 1 0 "[ . 1 . 2]"
1 71 MET 0.391 0.153 7 0 "[ . 1 . 2]"
1 72 MET 1.183 0.193 18 0 "[ . 1 . 2]"
1 73 ALA 1.381 0.181 12 0 "[ . 1 . 2]"
1 74 ARG 0.157 0.056 16 0 "[ . 1 . 2]"
1 75 LYS 0.671 0.137 14 0 "[ . 1 . 2]"
1 76 MET 0.325 0.143 18 0 "[ . 1 . 2]"
1 77 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 THR 0.000 0.000 . 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 GLN H 1 3 GLN QB 3.600 . 3.750 2.559 2.211 2.966 . 0 0 "[ . 1 . 2]" 1
2 1 3 GLN H 1 3 GLN HG2 5.130 . 5.280 4.589 3.268 5.219 . 0 0 "[ . 1 . 2]" 1
3 1 3 GLN H 1 3 GLN QG 4.410 . 4.560 4.050 3.169 4.301 . 0 0 "[ . 1 . 2]" 1
4 1 3 GLN H 1 3 GLN HG3 5.130 . 5.280 4.561 4.262 4.793 . 0 0 "[ . 1 . 2]" 1
5 1 3 GLN HA 1 4 LEU H 3.190 . 3.340 2.523 2.124 3.169 . 0 0 "[ . 1 . 2]" 1
6 1 3 GLN QB 1 4 LEU H 3.950 . 4.100 3.688 3.119 3.978 . 0 0 "[ . 1 . 2]" 1
7 1 3 GLN HB2 1 4 LEU H 4.520 . 4.670 4.301 4.108 4.536 . 0 0 "[ . 1 . 2]" 1
8 1 3 GLN HB3 1 4 LEU H 4.520 . 4.670 4.030 3.220 4.410 . 0 0 "[ . 1 . 2]" 1
9 1 4 LEU H 1 4 LEU QB 3.190 . 3.340 2.616 2.265 3.343 0.003 16 0 "[ . 1 . 2]" 1
10 1 4 LEU H 1 4 LEU MD1 4.800 . 4.950 3.626 2.082 4.424 . 0 0 "[ . 1 . 2]" 1
11 1 4 LEU H 1 4 LEU QD 3.970 . 4.120 3.210 2.074 3.708 . 0 0 "[ . 1 . 2]" 1
12 1 4 LEU H 1 4 LEU MD2 4.800 . 4.950 3.932 3.083 4.629 . 0 0 "[ . 1 . 2]" 1
13 1 4 LEU H 1 4 LEU HG 3.700 . 3.850 3.151 2.373 3.792 . 0 0 "[ . 1 . 2]" 1
14 1 4 LEU HA 1 4 LEU QD 3.120 . 3.270 2.379 2.181 2.995 . 0 0 "[ . 1 . 2]" 1
15 1 4 LEU HA 1 5 THR H 3.370 . 3.520 2.412 2.262 2.756 . 0 0 "[ . 1 . 2]" 1
16 1 4 LEU QB 1 5 THR H 4.100 . 4.250 2.807 1.998 3.897 . 0 0 "[ . 1 . 2]" 1
17 1 4 LEU QB 1 8 GLN QB 4.540 . 4.690 3.563 2.735 4.373 . 0 0 "[ . 1 . 2]" 1
18 1 4 LEU HB2 1 5 THR H 4.700 . 4.850 3.828 2.955 4.496 . 0 0 "[ . 1 . 2]" 1
19 1 4 LEU HB3 1 5 THR H 4.700 . 4.850 2.911 2.032 4.366 . 0 0 "[ . 1 . 2]" 1
20 1 4 LEU QD 1 5 THR H 4.710 . 4.860 3.692 3.309 4.602 . 0 0 "[ . 1 . 2]" 1
21 1 4 LEU QD 1 12 PHE QD 4.800 . 4.950 4.041 2.959 4.595 . 0 0 "[ . 1 . 2]" 1
22 1 4 LEU QD 1 12 PHE QE 4.220 . 4.370 4.320 3.773 4.556 0.186 8 0 "[ . 1 . 2]" 1
23 1 4 LEU QD 1 69 LEU QD 3.520 . 3.670 2.510 2.097 3.508 . 0 0 "[ . 1 . 2]" 1
24 1 4 LEU QD 1 73 ALA HA 4.610 . 4.760 4.128 3.534 4.680 . 0 0 "[ . 1 . 2]" 1
25 1 4 LEU QD 1 73 ALA MB 3.790 . 3.940 3.756 2.816 4.121 0.181 12 0 "[ . 1 . 2]" 1
26 1 4 LEU MD1 1 5 THR H 5.410 . 5.560 4.683 4.032 5.000 . 0 0 "[ . 1 . 2]" 1
27 1 4 LEU MD1 1 8 GLN HB2 5.500 . 5.650 4.999 4.246 5.633 . 0 0 "[ . 1 . 2]" 1
28 1 4 LEU MD1 1 8 GLN HB3 5.500 . 5.650 4.941 4.017 5.686 0.036 8 0 "[ . 1 . 2]" 1
29 1 4 LEU MD1 1 73 ALA HA 5.320 . 5.470 4.745 3.696 5.526 0.056 12 0 "[ . 1 . 2]" 1
30 1 4 LEU MD2 1 5 THR H 5.410 . 5.560 3.942 3.389 5.541 . 0 0 "[ . 1 . 2]" 1
31 1 4 LEU MD2 1 8 GLN HB2 5.500 . 5.650 4.411 3.400 5.455 . 0 0 "[ . 1 . 2]" 1
32 1 4 LEU MD2 1 8 GLN HB3 5.500 . 5.650 4.365 3.318 5.682 0.032 10 0 "[ . 1 . 2]" 1
33 1 4 LEU MD2 1 73 ALA HA 5.320 . 5.470 4.677 3.678 5.628 0.158 17 0 "[ . 1 . 2]" 1
34 1 4 LEU HG 1 5 THR H 5.260 . 5.410 4.797 3.772 5.053 . 0 0 "[ . 1 . 2]" 1
35 1 5 THR H 1 5 THR MG 3.200 . 3.350 2.634 2.291 3.265 . 0 0 "[ . 1 . 2]" 1
36 1 5 THR H 1 6 GLU HA 5.500 . 5.650 5.327 4.930 5.580 . 0 0 "[ . 1 . 2]" 1
37 1 5 THR H 1 8 GLN H 4.880 . 5.030 4.037 3.263 4.638 . 0 0 "[ . 1 . 2]" 1
38 1 5 THR H 1 8 GLN QB 3.610 . 3.760 3.042 1.977 3.777 0.017 2 0 "[ . 1 . 2]" 1
39 1 5 THR HA 1 5 THR MG 3.020 . 3.170 2.332 2.199 2.438 . 0 0 "[ . 1 . 2]" 1
40 1 5 THR HA 1 6 GLU H 3.290 . 3.440 2.388 2.260 2.555 . 0 0 "[ . 1 . 2]" 1
41 1 5 THR HA 1 7 GLU H 5.200 . 5.350 4.307 4.126 4.511 . 0 0 "[ . 1 . 2]" 1
42 1 5 THR HB 1 6 GLU H 3.350 . 3.500 2.763 2.445 3.322 . 0 0 "[ . 1 . 2]" 1
43 1 5 THR HB 1 7 GLU H 3.560 . 3.710 2.959 2.678 3.250 . 0 0 "[ . 1 . 2]" 1
44 1 5 THR HB 1 8 GLN H 3.840 . 3.990 3.668 2.791 3.957 . 0 0 "[ . 1 . 2]" 1
45 1 5 THR MG 1 6 GLU H 4.110 . 4.260 3.706 3.069 3.908 . 0 0 "[ . 1 . 2]" 1
46 1 5 THR MG 1 7 GLU H 4.800 . 4.950 4.419 3.609 4.753 . 0 0 "[ . 1 . 2]" 1
47 1 5 THR MG 1 8 GLN H 4.600 . 4.750 4.550 4.158 4.793 0.043 3 0 "[ . 1 . 2]" 1
48 1 6 GLU H 1 6 GLU QB 3.600 . 3.750 2.466 2.387 2.602 . 0 0 "[ . 1 . 2]" 1
49 1 6 GLU H 1 6 GLU HG2 4.040 . 4.190 2.658 1.965 3.441 . 0 0 "[ . 1 . 2]" 1
50 1 6 GLU H 1 6 GLU HG3 4.040 . 4.190 2.994 2.105 3.588 . 0 0 "[ . 1 . 2]" 1
51 1 6 GLU H 1 7 GLU H 3.800 . 3.950 2.772 2.639 2.901 . 0 0 "[ . 1 . 2]" 1
52 1 6 GLU HA 1 6 GLU QG 3.730 . 3.880 2.939 2.424 3.517 . 0 0 "[ . 1 . 2]" 1
53 1 6 GLU HA 1 9 ILE H 4.480 . 4.630 3.294 3.089 3.446 . 0 0 "[ . 1 . 2]" 1
54 1 6 GLU HA 1 9 ILE HB 3.620 . 3.770 2.950 2.423 3.587 . 0 0 "[ . 1 . 2]" 1
55 1 6 GLU HA 1 9 ILE MD 3.490 . 3.640 2.605 2.131 3.716 0.076 19 0 "[ . 1 . 2]" 1
56 1 6 GLU QB 1 7 GLU H 3.940 . 4.090 3.008 2.564 3.552 . 0 0 "[ . 1 . 2]" 1
57 1 6 GLU QG 1 7 GLU H 5.030 . 5.180 3.424 2.406 4.180 . 0 0 "[ . 1 . 2]" 1
58 1 7 GLU H 1 7 GLU QB 3.540 . 3.690 2.341 2.131 2.640 . 0 0 "[ . 1 . 2]" 1
59 1 7 GLU H 1 7 GLU HG2 4.800 . 4.950 3.532 2.033 4.560 . 0 0 "[ . 1 . 2]" 1
60 1 7 GLU H 1 7 GLU QG 4.170 . 4.320 3.081 2.009 4.024 . 0 0 "[ . 1 . 2]" 1
61 1 7 GLU H 1 7 GLU HG3 4.800 . 4.950 3.726 2.056 4.476 . 0 0 "[ . 1 . 2]" 1
62 1 7 GLU H 1 8 GLN H 3.680 . 3.830 2.657 2.596 2.730 . 0 0 "[ . 1 . 2]" 1
63 1 7 GLU HA 1 7 GLU HG2 4.220 . 4.370 3.368 2.537 3.707 . 0 0 "[ . 1 . 2]" 1
64 1 7 GLU HA 1 7 GLU QG 3.540 . 3.690 2.876 2.426 3.432 . 0 0 "[ . 1 . 2]" 1
65 1 7 GLU HA 1 7 GLU HG3 4.220 . 4.370 3.250 2.547 4.163 . 0 0 "[ . 1 . 2]" 1
66 1 7 GLU HA 1 10 ALA H 4.000 . 4.150 3.653 3.236 3.856 . 0 0 "[ . 1 . 2]" 1
67 1 7 GLU HA 1 10 ALA MB 3.360 . 3.510 3.288 2.742 3.647 0.137 3 0 "[ . 1 . 2]" 1
68 1 7 GLU QB 1 8 GLN H 3.850 . 4.000 2.977 2.465 3.630 . 0 0 "[ . 1 . 2]" 1
69 1 7 GLU HB2 1 8 GLN H 4.390 . 4.540 3.656 2.586 4.112 . 0 0 "[ . 1 . 2]" 1
70 1 7 GLU HB3 1 8 GLN H 4.390 . 4.540 3.357 2.512 4.147 . 0 0 "[ . 1 . 2]" 1
71 1 7 GLU QG 1 8 GLN H 3.880 . 4.030 3.346 2.232 4.015 . 0 0 "[ . 1 . 2]" 1
72 1 8 GLN H 1 8 GLN QB 3.170 . 3.320 2.299 2.121 2.444 . 0 0 "[ . 1 . 2]" 1
73 1 8 GLN H 1 8 GLN HG2 4.380 . 4.530 3.369 2.314 4.554 0.024 1 0 "[ . 1 . 2]" 1
74 1 8 GLN H 1 8 GLN QG 3.810 . 3.960 2.905 2.286 4.014 0.054 1 0 "[ . 1 . 2]" 1
75 1 8 GLN H 1 8 GLN HG3 4.380 . 4.530 3.577 2.376 4.460 . 0 0 "[ . 1 . 2]" 1
76 1 8 GLN H 1 9 ILE H 3.690 . 3.840 2.456 2.321 2.655 . 0 0 "[ . 1 . 2]" 1
77 1 8 GLN H 1 10 ALA H 4.510 . 4.660 4.067 3.839 4.318 . 0 0 "[ . 1 . 2]" 1
78 1 8 GLN HA 1 8 GLN QG 3.590 . 3.740 2.615 2.180 3.215 . 0 0 "[ . 1 . 2]" 1
79 1 8 GLN HA 1 11 GLU H 4.210 . 4.360 3.270 2.883 3.559 . 0 0 "[ . 1 . 2]" 1
80 1 8 GLN HA 1 11 GLU HB3 3.930 . 4.080 3.314 2.864 4.008 . 0 0 "[ . 1 . 2]" 1
81 1 8 GLN HA 1 12 PHE H 5.290 . 5.440 4.205 3.865 4.523 . 0 0 "[ . 1 . 2]" 1
82 1 8 GLN QB 1 9 ILE H 3.630 . 3.780 2.932 2.644 3.476 . 0 0 "[ . 1 . 2]" 1
83 1 8 GLN QB 1 9 ILE QG 4.520 . 4.670 3.670 3.239 4.403 . 0 0 "[ . 1 . 2]" 1
84 1 8 GLN HB2 1 9 ILE H 4.340 . 4.490 3.148 2.716 4.188 . 0 0 "[ . 1 . 2]" 1
85 1 8 GLN HB3 1 9 ILE H 4.340 . 4.490 3.700 2.906 4.015 . 0 0 "[ . 1 . 2]" 1
86 1 9 ILE H 1 9 ILE HB 3.670 . 3.820 2.516 2.437 2.660 . 0 0 "[ . 1 . 2]" 1
87 1 9 ILE H 1 9 ILE MD 4.350 . 4.500 3.434 3.049 3.663 . 0 0 "[ . 1 . 2]" 1
88 1 9 ILE H 1 9 ILE HG12 4.150 . 4.300 3.229 2.012 3.701 . 0 0 "[ . 1 . 2]" 1
89 1 9 ILE H 1 9 ILE QG 3.580 . 3.730 2.253 2.000 2.412 . 0 0 "[ . 1 . 2]" 1
90 1 9 ILE H 1 9 ILE HG13 4.150 . 4.300 2.634 2.107 3.586 . 0 0 "[ . 1 . 2]" 1
91 1 9 ILE H 1 9 ILE MG 4.330 . 4.480 3.805 3.787 3.827 . 0 0 "[ . 1 . 2]" 1
92 1 9 ILE H 1 10 ALA H 3.650 . 3.800 2.576 2.458 2.650 . 0 0 "[ . 1 . 2]" 1
93 1 9 ILE HA 1 9 ILE MD 4.070 . 4.220 3.440 2.206 3.876 . 0 0 "[ . 1 . 2]" 1
94 1 9 ILE HA 1 9 ILE HG12 3.840 . 3.990 2.699 2.486 3.139 . 0 0 "[ . 1 . 2]" 1
95 1 9 ILE HA 1 9 ILE HG13 3.840 . 3.990 2.983 2.682 3.744 . 0 0 "[ . 1 . 2]" 1
96 1 9 ILE HA 1 12 PHE H 4.170 . 4.320 3.347 3.190 3.498 . 0 0 "[ . 1 . 2]" 1
97 1 9 ILE HA 1 12 PHE QB 4.010 . 4.160 2.486 2.227 2.758 . 0 0 "[ . 1 . 2]" 1
98 1 9 ILE HA 1 12 PHE QD 4.530 . 4.680 4.264 3.980 4.512 . 0 0 "[ . 1 . 2]" 1
99 1 9 ILE HA 1 13 LYS H 4.540 . 4.690 4.002 3.862 4.213 . 0 0 "[ . 1 . 2]" 1
100 1 9 ILE HB 1 9 ILE MD 3.600 . 3.750 2.616 2.377 3.225 . 0 0 "[ . 1 . 2]" 1
101 1 9 ILE HB 1 10 ALA H 3.730 . 3.880 2.911 2.827 3.025 . 0 0 "[ . 1 . 2]" 1
102 1 9 ILE MD 1 9 ILE MG 2.820 . 2.970 2.156 2.102 2.216 . 0 0 "[ . 1 . 2]" 1
103 1 9 ILE MG 1 10 ALA H 4.460 . 4.610 3.660 3.498 3.823 . 0 0 "[ . 1 . 2]" 1
104 1 9 ILE MG 1 10 ALA HA 4.610 . 4.760 3.639 3.389 3.821 . 0 0 "[ . 1 . 2]" 1
105 1 9 ILE MG 1 12 PHE QD 3.850 . 4.000 3.996 3.466 4.177 0.177 2 0 "[ . 1 . 2]" 1
106 1 9 ILE MG 1 13 LYS H 4.750 . 4.900 3.875 3.667 4.223 . 0 0 "[ . 1 . 2]" 1
107 1 9 ILE MG 1 13 LYS QB 4.590 . 4.740 3.269 2.874 3.684 . 0 0 "[ . 1 . 2]" 1
108 1 10 ALA H 1 10 ALA MB 3.080 . 3.230 2.242 2.229 2.257 . 0 0 "[ . 1 . 2]" 1
109 1 10 ALA HA 1 13 LYS H 4.710 . 4.860 3.596 3.432 3.801 . 0 0 "[ . 1 . 2]" 1
110 1 10 ALA HA 1 13 LYS HB2 4.290 . 4.440 3.668 3.307 3.963 . 0 0 "[ . 1 . 2]" 1
111 1 10 ALA HA 1 13 LYS QB 3.670 . 3.820 3.030 2.751 3.246 . 0 0 "[ . 1 . 2]" 1
112 1 10 ALA HA 1 13 LYS HB3 4.290 . 4.440 3.240 2.928 3.487 . 0 0 "[ . 1 . 2]" 1
113 1 10 ALA MB 1 11 GLU H 3.480 . 3.630 2.492 2.371 2.651 . 0 0 "[ . 1 . 2]" 1
114 1 11 GLU H 1 11 GLU HB2 3.540 . 3.690 2.469 2.393 2.527 . 0 0 "[ . 1 . 2]" 1
115 1 11 GLU H 1 11 GLU HB3 3.790 . 3.940 2.515 2.457 2.573 . 0 0 "[ . 1 . 2]" 1
116 1 11 GLU H 1 11 GLU QG 4.530 . 4.680 3.956 3.929 4.000 . 0 0 "[ . 1 . 2]" 1
117 1 11 GLU H 1 12 PHE H 3.650 . 3.800 2.600 2.480 2.666 . 0 0 "[ . 1 . 2]" 1
118 1 11 GLU HA 1 11 GLU HB2 2.960 . 3.110 2.415 2.390 2.453 . 0 0 "[ . 1 . 2]" 1
119 1 11 GLU HA 1 13 LYS H 5.210 . 5.360 4.306 4.114 4.458 . 0 0 "[ . 1 . 2]" 1
120 1 11 GLU HA 1 14 GLU H 3.690 . 3.840 3.454 3.323 3.608 . 0 0 "[ . 1 . 2]" 1
121 1 11 GLU HB3 1 12 PHE H 3.280 . 3.430 2.541 2.380 2.679 . 0 0 "[ . 1 . 2]" 1
122 1 11 GLU HB3 1 12 PHE QD 5.500 . 5.650 5.560 5.305 5.750 0.100 10 0 "[ . 1 . 2]" 1
123 1 11 GLU QG 1 12 PHE QD 5.340 . 5.490 5.543 5.381 5.650 0.160 8 0 "[ . 1 . 2]" 1
124 1 11 GLU QG 1 39 LEU QD 3.670 . 3.820 2.982 2.222 3.992 0.172 11 0 "[ . 1 . 2]" 1
125 1 12 PHE H 1 12 PHE HB2 4.110 . 4.260 2.365 2.231 2.482 . 0 0 "[ . 1 . 2]" 1
126 1 12 PHE H 1 12 PHE QB 3.500 . 3.650 2.185 2.132 2.241 . 0 0 "[ . 1 . 2]" 1
127 1 12 PHE H 1 12 PHE HB3 4.110 . 4.260 2.582 2.454 2.706 . 0 0 "[ . 1 . 2]" 1
128 1 12 PHE H 1 12 PHE QD 4.410 . 4.560 4.147 4.048 4.207 . 0 0 "[ . 1 . 2]" 1
129 1 12 PHE H 1 13 LYS H 3.730 . 3.880 2.716 2.627 2.790 . 0 0 "[ . 1 . 2]" 1
130 1 12 PHE HA 1 12 PHE QD 3.560 . 3.710 2.961 2.747 3.074 . 0 0 "[ . 1 . 2]" 1
131 1 12 PHE HA 1 14 GLU H 5.500 . 5.650 4.357 4.078 4.539 . 0 0 "[ . 1 . 2]" 1
132 1 12 PHE HA 1 15 ALA H 4.720 . 4.870 3.687 3.386 3.955 . 0 0 "[ . 1 . 2]" 1
133 1 12 PHE HA 1 15 ALA MB 4.120 . 4.270 3.218 2.798 3.679 . 0 0 "[ . 1 . 2]" 1
134 1 12 PHE HA 1 16 PHE H 5.500 . 5.650 4.472 4.057 5.226 . 0 0 "[ . 1 . 2]" 1
135 1 12 PHE HA 1 39 LEU MD1 4.250 . 4.400 3.494 2.479 4.349 . 0 0 "[ . 1 . 2]" 1
136 1 12 PHE HA 1 39 LEU QD 3.630 . 3.780 2.923 2.129 3.765 . 0 0 "[ . 1 . 2]" 1
137 1 12 PHE HA 1 39 LEU MD2 4.250 . 4.400 3.318 2.148 4.233 . 0 0 "[ . 1 . 2]" 1
138 1 12 PHE QB 1 13 LYS H 4.050 . 4.200 2.521 2.380 2.633 . 0 0 "[ . 1 . 2]" 1
139 1 12 PHE QB 1 69 LEU QD 4.530 . 4.680 3.841 3.238 4.219 . 0 0 "[ . 1 . 2]" 1
140 1 12 PHE HB2 1 13 LYS H 4.650 . 4.800 3.712 3.606 3.812 . 0 0 "[ . 1 . 2]" 1
141 1 12 PHE HB3 1 13 LYS H 4.650 . 4.800 2.565 2.413 2.687 . 0 0 "[ . 1 . 2]" 1
142 1 12 PHE QD 1 13 LYS H 4.830 . 4.980 3.643 3.266 3.860 . 0 0 "[ . 1 . 2]" 1
143 1 12 PHE QD 1 13 LYS HA 4.250 . 4.400 3.343 3.036 3.641 . 0 0 "[ . 1 . 2]" 1
144 1 12 PHE QD 1 15 ALA MB 5.500 . 5.650 4.573 4.127 4.937 . 0 0 "[ . 1 . 2]" 1
145 1 12 PHE QD 1 16 PHE H 5.500 . 5.650 4.879 4.339 5.468 . 0 0 "[ . 1 . 2]" 1
146 1 12 PHE QD 1 39 LEU MD1 5.500 . 5.650 3.575 2.169 5.647 . 0 0 "[ . 1 . 2]" 1
147 1 12 PHE QD 1 39 LEU QD 4.610 . 4.760 3.032 2.157 4.302 . 0 0 "[ . 1 . 2]" 1
148 1 12 PHE QD 1 39 LEU MD2 5.500 . 5.650 3.602 2.356 5.126 . 0 0 "[ . 1 . 2]" 1
149 1 12 PHE QD 1 69 LEU MD1 4.180 . 4.330 3.589 2.646 4.406 0.076 12 0 "[ . 1 . 2]" 1
150 1 12 PHE QD 1 69 LEU QD 3.310 . 3.460 3.049 2.615 3.451 . 0 0 "[ . 1 . 2]" 1
151 1 12 PHE QD 1 69 LEU MD2 4.180 . 4.330 3.522 2.793 4.442 0.112 20 0 "[ . 1 . 2]" 1
152 1 12 PHE QD 1 72 MET ME 5.500 . 5.650 4.575 3.683 5.500 . 0 0 "[ . 1 . 2]" 1
153 1 12 PHE QE 1 39 LEU QD 5.440 . 5.590 3.403 2.236 5.090 . 0 0 "[ . 1 . 2]" 1
154 1 12 PHE QE 1 72 MET ME 3.680 . 3.830 2.881 2.140 3.877 0.047 17 0 "[ . 1 . 2]" 1
155 1 12 PHE QE 1 72 MET QG 5.340 . 5.490 3.134 1.980 5.372 . 0 0 "[ . 1 . 2]" 1
156 1 13 LYS H 1 13 LYS HB2 3.730 . 3.880 2.454 2.358 2.580 . 0 0 "[ . 1 . 2]" 1
157 1 13 LYS H 1 13 LYS HB3 3.730 . 3.880 2.546 2.405 2.629 . 0 0 "[ . 1 . 2]" 1
158 1 13 LYS H 1 13 LYS QG 4.830 . 4.980 3.940 3.917 3.968 . 0 0 "[ . 1 . 2]" 1
159 1 13 LYS H 1 14 GLU H 3.830 . 3.980 2.697 2.535 2.815 . 0 0 "[ . 1 . 2]" 1
160 1 13 LYS HA 1 13 LYS QG 3.730 . 3.880 2.477 2.389 2.596 . 0 0 "[ . 1 . 2]" 1
161 1 13 LYS HA 1 15 ALA H 5.500 . 5.650 4.383 4.204 4.582 . 0 0 "[ . 1 . 2]" 1
162 1 13 LYS HA 1 16 PHE HB2 4.480 . 4.630 3.437 3.054 3.940 . 0 0 "[ . 1 . 2]" 1
163 1 13 LYS HA 1 16 PHE HB3 4.300 . 4.450 3.085 2.854 3.608 . 0 0 "[ . 1 . 2]" 1
164 1 13 LYS HA 1 16 PHE QD 5.160 . 5.310 4.751 4.527 5.128 . 0 0 "[ . 1 . 2]" 1
165 1 13 LYS HA 1 17 SER H 5.040 . 5.190 4.112 3.909 4.736 . 0 0 "[ . 1 . 2]" 1
166 1 13 LYS QB 1 14 GLU H 3.520 . 3.670 2.627 2.461 2.838 . 0 0 "[ . 1 . 2]" 1
167 1 13 LYS HB2 1 14 GLU H 4.380 . 4.530 3.831 3.726 3.924 . 0 0 "[ . 1 . 2]" 1
168 1 13 LYS HB3 1 14 GLU H 4.380 . 4.530 2.676 2.496 2.915 . 0 0 "[ . 1 . 2]" 1
169 1 13 LYS QG 1 16 PHE QD 5.190 . 5.340 4.785 4.274 5.279 . 0 0 "[ . 1 . 2]" 1
170 1 13 LYS QG 1 17 SER H 5.340 . 5.490 4.070 3.705 4.484 . 0 0 "[ . 1 . 2]" 1
171 1 14 GLU H 1 14 GLU QB 3.270 . 3.420 2.248 2.079 2.388 . 0 0 "[ . 1 . 2]" 1
172 1 14 GLU H 1 14 GLU QG 4.240 . 4.390 3.513 2.451 4.032 . 0 0 "[ . 1 . 2]" 1
173 1 14 GLU H 1 15 ALA H 3.710 . 3.860 2.716 2.625 2.791 . 0 0 "[ . 1 . 2]" 1
174 1 14 GLU HA 1 16 PHE H 5.220 . 5.370 4.334 4.180 4.476 . 0 0 "[ . 1 . 2]" 1
175 1 14 GLU QB 1 15 ALA H 3.670 . 3.820 2.630 2.402 2.841 . 0 0 "[ . 1 . 2]" 1
176 1 14 GLU QG 1 15 ALA H 4.530 . 4.680 4.101 3.558 4.583 . 0 0 "[ . 1 . 2]" 1
177 1 14 GLU HG2 1 15 ALA H 5.310 . 5.460 4.618 3.846 5.268 . 0 0 "[ . 1 . 2]" 1
178 1 14 GLU HG3 1 15 ALA H 5.310 . 5.460 4.702 3.724 5.050 . 0 0 "[ . 1 . 2]" 1
179 1 15 ALA H 1 15 ALA MB 3.300 . 3.450 2.243 2.223 2.256 . 0 0 "[ . 1 . 2]" 1
180 1 15 ALA H 1 16 PHE H 3.800 . 3.950 2.680 2.586 2.793 . 0 0 "[ . 1 . 2]" 1
181 1 15 ALA H 1 16 PHE HA 5.500 . 5.650 5.234 5.162 5.324 . 0 0 "[ . 1 . 2]" 1
182 1 15 ALA H 1 39 LEU QD 4.800 . 4.950 3.970 3.372 4.531 . 0 0 "[ . 1 . 2]" 1
183 1 15 ALA HA 1 18 LEU H 4.310 . 4.460 3.662 3.444 3.852 . 0 0 "[ . 1 . 2]" 1
184 1 15 ALA HA 1 18 LEU QB 4.280 . 4.430 3.572 3.235 3.846 . 0 0 "[ . 1 . 2]" 1
185 1 15 ALA HA 1 18 LEU QD 3.950 . 4.100 2.520 2.235 3.036 . 0 0 "[ . 1 . 2]" 1
186 1 15 ALA MB 1 16 PHE H 3.800 . 3.950 2.633 2.578 2.698 . 0 0 "[ . 1 . 2]" 1
187 1 15 ALA MB 1 17 SER H 5.190 . 5.340 4.511 4.447 4.635 . 0 0 "[ . 1 . 2]" 1
188 1 15 ALA MB 1 19 PHE H 5.370 . 5.520 5.598 5.535 5.645 0.125 20 0 "[ . 1 . 2]" 1
189 1 15 ALA MB 1 19 PHE QD 4.960 . 5.110 4.200 3.873 4.437 . 0 0 "[ . 1 . 2]" 1
190 1 15 ALA MB 1 35 VAL HA 5.080 . 5.230 4.294 3.458 5.295 0.065 18 0 "[ . 1 . 2]" 1
191 1 15 ALA MB 1 35 VAL MG1 5.030 . 5.180 3.144 2.295 5.276 0.096 2 0 "[ . 1 . 2]" 1
192 1 15 ALA MB 1 35 VAL QG 3.610 . 3.760 2.707 2.269 3.270 . 0 0 "[ . 1 . 2]" 1
193 1 15 ALA MB 1 35 VAL MG2 5.030 . 5.180 4.187 2.578 5.069 . 0 0 "[ . 1 . 2]" 1
194 1 15 ALA MB 1 39 LEU H 5.500 . 5.650 4.582 3.638 5.591 . 0 0 "[ . 1 . 2]" 1
195 1 15 ALA MB 1 39 LEU MD1 3.630 . 3.780 2.824 2.197 3.753 . 0 0 "[ . 1 . 2]" 1
196 1 15 ALA MB 1 39 LEU QD 2.890 . 3.040 2.223 2.092 2.521 . 0 0 "[ . 1 . 2]" 1
197 1 15 ALA MB 1 39 LEU MD2 3.630 . 3.780 2.590 2.161 3.765 . 0 0 "[ . 1 . 2]" 1
198 1 16 PHE H 1 16 PHE HB2 3.740 . 3.890 2.391 2.278 2.487 . 0 0 "[ . 1 . 2]" 1
199 1 16 PHE H 1 16 PHE HB3 3.700 . 3.850 2.645 2.544 2.761 . 0 0 "[ . 1 . 2]" 1
200 1 16 PHE H 1 16 PHE QD 4.790 . 4.940 4.184 4.110 4.225 . 0 0 "[ . 1 . 2]" 1
201 1 16 PHE H 1 17 SER QB 5.500 . 5.650 4.431 4.229 4.784 . 0 0 "[ . 1 . 2]" 1
202 1 16 PHE H 1 18 LEU H 5.500 . 5.650 4.119 4.017 4.241 . 0 0 "[ . 1 . 2]" 1
203 1 16 PHE H 1 35 VAL QG 5.310 . 5.460 3.987 3.518 4.413 . 0 0 "[ . 1 . 2]" 1
204 1 16 PHE HA 1 18 LEU H 4.630 . 4.780 3.855 3.588 4.116 . 0 0 "[ . 1 . 2]" 1
205 1 16 PHE HA 1 19 PHE H 5.250 . 5.400 3.667 3.533 3.790 . 0 0 "[ . 1 . 2]" 1
206 1 16 PHE HA 1 19 PHE QD 5.400 . 5.550 3.367 2.691 4.189 . 0 0 "[ . 1 . 2]" 1
207 1 16 PHE HA 1 27 ILE MG 5.170 . 5.320 3.881 3.494 4.242 . 0 0 "[ . 1 . 2]" 1
208 1 16 PHE HA 1 35 VAL MG1 4.520 . 4.670 3.276 2.567 4.638 . 0 0 "[ . 1 . 2]" 1
209 1 16 PHE HA 1 35 VAL QG 3.720 . 3.870 2.815 2.490 3.322 . 0 0 "[ . 1 . 2]" 1
210 1 16 PHE HA 1 35 VAL MG2 4.520 . 4.670 3.582 2.660 4.324 . 0 0 "[ . 1 . 2]" 1
211 1 16 PHE HB2 1 17 SER H 4.020 . 4.170 3.699 3.620 3.753 . 0 0 "[ . 1 . 2]" 1
212 1 16 PHE HB3 1 17 SER H 4.440 . 4.590 2.641 2.501 2.756 . 0 0 "[ . 1 . 2]" 1
213 1 16 PHE HB3 1 17 SER HA 4.780 . 4.930 4.045 3.980 4.100 . 0 0 "[ . 1 . 2]" 1
214 1 16 PHE QD 1 17 SER H 4.720 . 4.870 3.856 3.548 4.147 . 0 0 "[ . 1 . 2]" 1
215 1 16 PHE QD 1 17 SER HA 4.600 . 4.750 3.471 3.093 3.784 . 0 0 "[ . 1 . 2]" 1
216 1 16 PHE QD 1 19 PHE QB 5.340 . 5.490 4.779 4.466 5.136 . 0 0 "[ . 1 . 2]" 1
217 1 16 PHE QD 1 27 ILE MD 4.680 . 4.830 3.521 3.064 4.215 . 0 0 "[ . 1 . 2]" 1
218 1 16 PHE QD 1 27 ILE MG 5.500 . 5.650 3.444 3.282 3.534 . 0 0 "[ . 1 . 2]" 1
219 1 16 PHE QD 1 35 VAL QG 4.850 . 5.000 3.215 2.661 4.325 . 0 0 "[ . 1 . 2]" 1
220 1 16 PHE QD 1 68 PHE HB2 5.500 . 5.650 4.735 3.758 5.359 . 0 0 "[ . 1 . 2]" 1
221 1 16 PHE QD 1 68 PHE HB3 5.500 . 5.650 4.252 3.744 4.631 . 0 0 "[ . 1 . 2]" 1
222 1 16 PHE QE 1 26 THR HA 5.110 . 5.260 3.811 2.973 4.499 . 0 0 "[ . 1 . 2]" 1
223 1 16 PHE QE 1 26 THR MG 5.500 . 5.650 5.308 4.849 5.777 0.127 15 0 "[ . 1 . 2]" 1
224 1 16 PHE QE 1 63 ILE MG 5.500 . 5.650 4.073 3.150 4.586 . 0 0 "[ . 1 . 2]" 1
225 1 16 PHE QE 1 65 PHE H 5.500 . 5.650 4.246 3.591 4.944 . 0 0 "[ . 1 . 2]" 1
226 1 16 PHE QE 1 65 PHE HA 4.610 . 4.760 3.181 2.972 3.486 . 0 0 "[ . 1 . 2]" 1
227 1 16 PHE HZ 1 64 ASP HA 5.170 . 5.320 4.207 3.641 4.978 . 0 0 "[ . 1 . 2]" 1
228 1 16 PHE HZ 1 65 PHE H 5.500 . 5.650 3.607 3.163 4.186 . 0 0 "[ . 1 . 2]" 1
229 1 17 SER H 1 17 SER QB 3.430 . 3.580 2.303 2.221 2.468 . 0 0 "[ . 1 . 2]" 1
230 1 17 SER H 1 18 LEU H 3.950 . 4.100 2.776 2.705 2.867 . 0 0 "[ . 1 . 2]" 1
231 1 17 SER H 1 35 VAL QG 5.440 . 5.590 5.217 4.837 5.521 . 0 0 "[ . 1 . 2]" 1
232 1 17 SER HA 1 19 PHE H 4.590 . 4.740 3.767 3.587 3.926 . 0 0 "[ . 1 . 2]" 1
233 1 17 SER HA 1 20 ASP H 4.060 . 4.210 3.301 2.917 3.575 . 0 0 "[ . 1 . 2]" 1
234 1 17 SER HA 1 20 ASP HB2 4.850 . 5.000 4.451 2.682 5.000 . 0 0 "[ . 1 . 2]" 1
235 1 17 SER HA 1 20 ASP QB 4.110 . 4.260 3.399 2.178 4.092 . 0 0 "[ . 1 . 2]" 1
236 1 17 SER HA 1 20 ASP HB3 4.850 . 5.000 3.549 2.305 4.351 . 0 0 "[ . 1 . 2]" 1
237 1 18 LEU H 1 18 LEU HB2 3.980 . 4.130 2.535 2.262 3.567 . 0 0 "[ . 1 . 2]" 1
238 1 18 LEU H 1 18 LEU QB 3.180 . 3.330 2.378 2.234 2.462 . 0 0 "[ . 1 . 2]" 1
239 1 18 LEU H 1 18 LEU HB3 3.980 . 4.130 3.418 2.323 3.566 . 0 0 "[ . 1 . 2]" 1
240 1 18 LEU H 1 18 LEU MD1 5.100 . 5.250 3.690 3.537 4.230 . 0 0 "[ . 1 . 2]" 1
241 1 18 LEU H 1 18 LEU QD 4.060 . 4.210 3.216 3.119 3.350 . 0 0 "[ . 1 . 2]" 1
242 1 18 LEU H 1 18 LEU MD2 5.100 . 5.250 3.583 3.213 3.921 . 0 0 "[ . 1 . 2]" 1
243 1 18 LEU H 1 18 LEU HG 3.340 . 3.490 2.565 2.333 2.992 . 0 0 "[ . 1 . 2]" 1
244 1 18 LEU HA 1 18 LEU MD1 4.490 . 4.640 3.829 3.498 3.898 . 0 0 "[ . 1 . 2]" 1
245 1 18 LEU HA 1 18 LEU QD 3.350 . 3.500 2.319 2.123 3.316 . 0 0 "[ . 1 . 2]" 1
246 1 18 LEU HA 1 18 LEU MD2 4.490 . 4.640 2.407 2.134 4.074 . 0 0 "[ . 1 . 2]" 1
247 1 18 LEU QB 1 19 PHE H 4.360 . 4.510 3.056 2.827 3.661 . 0 0 "[ . 1 . 2]" 1
248 1 18 LEU HB2 1 19 PHE H 5.170 . 5.320 3.224 2.906 4.344 . 0 0 "[ . 1 . 2]" 1
249 1 18 LEU HB3 1 19 PHE H 5.170 . 5.320 3.928 3.725 4.083 . 0 0 "[ . 1 . 2]" 1
250 1 19 PHE H 1 19 PHE HB2 4.000 . 4.150 2.521 2.329 2.674 . 0 0 "[ . 1 . 2]" 1
251 1 19 PHE H 1 19 PHE HB3 4.000 . 4.150 3.637 3.522 3.713 . 0 0 "[ . 1 . 2]" 1
252 1 19 PHE H 1 27 ILE MG 5.270 . 5.420 4.054 3.753 4.282 . 0 0 "[ . 1 . 2]" 1
253 1 19 PHE HA 1 19 PHE QD 3.850 . 4.000 2.891 2.544 3.092 . 0 0 "[ . 1 . 2]" 1
254 1 19 PHE QB 1 27 ILE MG 3.560 . 3.710 2.458 2.232 2.766 . 0 0 "[ . 1 . 2]" 1
255 1 19 PHE QB 1 35 VAL QG 4.330 . 4.480 2.791 2.341 3.440 . 0 0 "[ . 1 . 2]" 1
256 1 19 PHE HB2 1 20 ASP H 4.560 . 4.710 3.159 2.581 3.538 . 0 0 "[ . 1 . 2]" 1
257 1 19 PHE HB2 1 27 ILE MG 4.210 . 4.360 2.663 2.346 3.029 . 0 0 "[ . 1 . 2]" 1
258 1 19 PHE HB3 1 20 ASP H 4.560 . 4.710 3.920 3.529 4.196 . 0 0 "[ . 1 . 2]" 1
259 1 19 PHE HB3 1 27 ILE MG 4.210 . 4.360 2.909 2.563 3.329 . 0 0 "[ . 1 . 2]" 1
260 1 19 PHE QD 1 27 ILE MG 4.650 . 4.800 4.132 3.574 4.476 . 0 0 "[ . 1 . 2]" 1
261 1 19 PHE QD 1 35 VAL MG1 4.350 . 4.500 3.180 2.464 4.201 . 0 0 "[ . 1 . 2]" 1
262 1 19 PHE QD 1 35 VAL QG 3.570 . 3.720 2.399 2.193 2.621 . 0 0 "[ . 1 . 2]" 1
263 1 19 PHE QD 1 35 VAL MG2 4.350 . 4.500 2.570 2.202 2.870 . 0 0 "[ . 1 . 2]" 1
264 1 19 PHE QE 1 34 THR HB 5.230 . 5.380 3.040 2.449 3.966 . 0 0 "[ . 1 . 2]" 1
265 1 19 PHE QE 1 34 THR MG 3.710 . 3.860 2.473 2.238 2.828 . 0 0 "[ . 1 . 2]" 1
266 1 19 PHE QE 1 35 VAL HA 4.590 . 4.740 2.707 2.321 3.392 . 0 0 "[ . 1 . 2]" 1
267 1 20 ASP H 1 20 ASP HB2 3.870 . 4.020 3.260 2.598 3.640 . 0 0 "[ . 1 . 2]" 1
268 1 20 ASP H 1 20 ASP QB 3.360 . 3.510 2.457 2.244 2.672 . 0 0 "[ . 1 . 2]" 1
269 1 20 ASP H 1 20 ASP HB3 3.870 . 4.020 2.565 2.356 2.752 . 0 0 "[ . 1 . 2]" 1
270 1 20 ASP H 1 21 LYS H 4.910 . 5.060 3.417 2.492 4.645 . 0 0 "[ . 1 . 2]" 1
271 1 20 ASP H 1 27 ILE HB 5.500 . 5.650 5.628 5.533 5.697 0.047 1 0 "[ . 1 . 2]" 1
272 1 20 ASP H 1 27 ILE MG 4.890 . 5.040 3.199 3.107 3.371 . 0 0 "[ . 1 . 2]" 1
273 1 20 ASP HA 1 21 LYS H 3.270 . 3.420 2.579 2.296 3.026 . 0 0 "[ . 1 . 2]" 1
274 1 20 ASP HA 1 21 LYS QB 5.350 . 5.500 4.364 4.013 4.724 . 0 0 "[ . 1 . 2]" 1
275 1 20 ASP HA 1 22 ASP H 4.740 . 4.890 3.383 2.966 4.609 . 0 0 "[ . 1 . 2]" 1
276 1 20 ASP HA 1 27 ILE MG 4.010 . 4.160 2.582 2.186 3.468 . 0 0 "[ . 1 . 2]" 1
277 1 20 ASP QB 1 27 ILE MG 4.620 . 4.770 2.633 2.338 3.128 . 0 0 "[ . 1 . 2]" 1
278 1 20 ASP HB2 1 21 LYS H 5.500 . 5.650 4.370 3.128 4.587 . 0 0 "[ . 1 . 2]" 1
279 1 20 ASP HB3 1 21 LYS H 5.500 . 5.650 4.422 4.197 4.573 . 0 0 "[ . 1 . 2]" 1
280 1 21 LYS H 1 21 LYS QB 3.330 . 3.480 2.147 2.034 2.384 . 0 0 "[ . 1 . 2]" 1
281 1 21 LYS H 1 21 LYS HG2 5.420 . 5.570 4.438 4.365 4.589 . 0 0 "[ . 1 . 2]" 1
282 1 21 LYS H 1 21 LYS QG 4.570 . 4.720 3.884 3.731 4.022 . 0 0 "[ . 1 . 2]" 1
283 1 21 LYS H 1 21 LYS HG3 5.420 . 5.570 4.295 4.015 4.481 . 0 0 "[ . 1 . 2]" 1
284 1 21 LYS H 1 22 ASP H 3.590 . 3.740 2.654 2.317 2.963 . 0 0 "[ . 1 . 2]" 1
285 1 21 LYS H 1 22 ASP HA 5.040 . 5.190 5.095 4.882 5.161 . 0 0 "[ . 1 . 2]" 1
286 1 21 LYS H 1 27 ILE MG 5.310 . 5.460 4.248 3.505 5.071 . 0 0 "[ . 1 . 2]" 1
287 1 21 LYS QB 1 22 ASP H 4.090 . 4.240 3.041 2.712 3.545 . 0 0 "[ . 1 . 2]" 1
288 1 21 LYS QG 1 22 ASP H 4.970 . 5.120 4.191 3.866 4.602 . 0 0 "[ . 1 . 2]" 1
289 1 22 ASP H 1 22 ASP HB2 4.010 . 4.160 2.874 2.145 3.772 . 0 0 "[ . 1 . 2]" 1
290 1 22 ASP H 1 22 ASP QB 3.440 . 3.590 2.397 2.086 2.929 . 0 0 "[ . 1 . 2]" 1
291 1 22 ASP H 1 22 ASP HB3 4.010 . 4.160 3.047 2.106 3.531 . 0 0 "[ . 1 . 2]" 1
292 1 22 ASP H 1 23 GLY H 3.240 . 3.390 2.443 2.207 2.590 . 0 0 "[ . 1 . 2]" 1
293 1 23 GLY H 1 24 ASP H 3.820 . 3.970 2.589 2.386 2.943 . 0 0 "[ . 1 . 2]" 1
294 1 23 GLY H 1 25 GLY H 5.150 . 5.300 3.429 2.832 3.875 . 0 0 "[ . 1 . 2]" 1
295 1 24 ASP H 1 24 ASP QB 3.600 . 3.750 2.483 2.141 3.011 . 0 0 "[ . 1 . 2]" 1
296 1 24 ASP H 1 25 GLY H 3.470 . 3.620 2.300 2.062 2.556 . 0 0 "[ . 1 . 2]" 1
297 1 24 ASP H 1 26 THR H 4.660 . 4.810 3.499 2.949 4.002 . 0 0 "[ . 1 . 2]" 1
298 1 24 ASP QB 1 26 THR H 5.290 . 5.440 3.638 2.909 4.954 . 0 0 "[ . 1 . 2]" 1
299 1 25 GLY H 1 26 THR H 3.710 . 3.860 2.309 2.115 2.472 . 0 0 "[ . 1 . 2]" 1
300 1 26 THR H 1 26 THR MG 4.260 . 4.410 3.330 2.193 3.936 . 0 0 "[ . 1 . 2]" 1
301 1 26 THR H 1 27 ILE HA 5.000 . 5.150 4.861 4.630 5.121 . 0 0 "[ . 1 . 2]" 1
302 1 26 THR HA 1 26 THR MG 3.380 . 3.530 2.607 2.226 3.177 . 0 0 "[ . 1 . 2]" 1
303 1 26 THR HB 1 27 ILE H 3.780 . 3.930 3.722 3.459 3.878 . 0 0 "[ . 1 . 2]" 1
304 1 26 THR HB 1 27 ILE HA 5.500 . 5.650 4.781 4.088 5.565 . 0 0 "[ . 1 . 2]" 1
305 1 26 THR HB 1 63 ILE H 4.690 . 4.840 4.767 4.528 4.862 0.022 2 0 "[ . 1 . 2]" 1
306 1 26 THR HB 1 64 ASP HA 5.500 . 5.650 4.207 2.794 5.636 . 0 0 "[ . 1 . 2]" 1
307 1 26 THR MG 1 27 ILE H 4.220 . 4.370 2.762 2.328 3.533 . 0 0 "[ . 1 . 2]" 1
308 1 26 THR MG 1 27 ILE HA 4.160 . 4.310 3.910 3.350 4.331 0.021 4 0 "[ . 1 . 2]" 1
309 1 26 THR MG 1 63 ILE H 4.080 . 4.230 3.010 2.283 4.156 . 0 0 "[ . 1 . 2]" 1
310 1 26 THR MG 1 64 ASP HA 4.830 . 4.980 3.090 2.234 4.331 . 0 0 "[ . 1 . 2]" 1
311 1 26 THR MG 1 64 ASP QB 5.340 . 5.490 4.321 3.368 5.508 0.018 20 0 "[ . 1 . 2]" 1
312 1 26 THR MG 1 65 PHE H 5.500 . 5.650 4.691 4.026 5.598 . 0 0 "[ . 1 . 2]" 1
313 1 27 ILE H 1 27 ILE MD 4.620 . 4.770 4.020 3.881 4.135 . 0 0 "[ . 1 . 2]" 1
314 1 27 ILE H 1 27 ILE HG12 4.490 . 4.640 2.457 2.296 2.605 . 0 0 "[ . 1 . 2]" 1
315 1 27 ILE H 1 27 ILE QG 3.820 . 3.970 2.346 2.181 2.461 . 0 0 "[ . 1 . 2]" 1
316 1 27 ILE H 1 27 ILE HG13 4.490 . 4.640 2.982 2.722 3.159 . 0 0 "[ . 1 . 2]" 1
317 1 27 ILE H 1 27 ILE MG 4.280 . 4.430 2.908 2.652 3.080 . 0 0 "[ . 1 . 2]" 1
318 1 27 ILE H 1 63 ILE H 4.240 . 4.390 2.967 2.763 3.334 . 0 0 "[ . 1 . 2]" 1
319 1 27 ILE H 1 63 ILE QG 5.340 . 5.490 4.876 4.565 5.292 . 0 0 "[ . 1 . 2]" 1
320 1 27 ILE H 1 64 ASP HA 5.500 . 5.650 3.935 3.561 4.549 . 0 0 "[ . 1 . 2]" 1
321 1 27 ILE HA 1 27 ILE MG 3.550 . 3.700 2.380 2.309 2.449 . 0 0 "[ . 1 . 2]" 1
322 1 27 ILE HA 1 28 THR H 3.480 . 3.630 2.469 2.401 2.620 . 0 0 "[ . 1 . 2]" 1
323 1 27 ILE HB 1 27 ILE MD 3.590 . 3.740 2.376 2.330 2.397 . 0 0 "[ . 1 . 2]" 1
324 1 27 ILE HB 1 28 THR H 3.540 . 3.690 2.586 2.345 2.731 . 0 0 "[ . 1 . 2]" 1
325 1 27 ILE HB 1 35 VAL QG 5.440 . 5.590 3.884 3.309 4.571 . 0 0 "[ . 1 . 2]" 1
326 1 27 ILE MD 1 27 ILE MG 3.280 . 3.430 2.145 2.105 2.185 . 0 0 "[ . 1 . 2]" 1
327 1 27 ILE MD 1 28 THR H 5.160 . 5.310 4.195 3.776 4.410 . 0 0 "[ . 1 . 2]" 1
328 1 27 ILE MD 1 32 LEU H 4.830 . 4.980 4.169 3.619 4.771 . 0 0 "[ . 1 . 2]" 1
329 1 27 ILE MD 1 32 LEU HA 3.750 . 3.900 2.720 2.484 3.038 . 0 0 "[ . 1 . 2]" 1
330 1 27 ILE MD 1 32 LEU QD 3.730 . 3.880 3.271 2.194 4.043 0.163 6 0 "[ . 1 . 2]" 1
331 1 27 ILE MD 1 35 VAL HB 3.770 . 3.920 3.770 3.135 3.979 0.059 16 0 "[ . 1 . 2]" 1
332 1 27 ILE MD 1 35 VAL QG 3.460 . 3.610 2.242 2.066 2.630 . 0 0 "[ . 1 . 2]" 1
333 1 27 ILE MD 1 68 PHE QD 4.550 . 4.700 2.890 2.104 3.795 . 0 0 "[ . 1 . 2]" 1
334 1 27 ILE QG 1 32 LEU H 5.340 . 5.490 5.125 4.421 5.538 0.048 12 0 "[ . 1 . 2]" 1
335 1 27 ILE MG 1 35 VAL QG 4.290 . 4.440 3.214 2.859 3.724 . 0 0 "[ . 1 . 2]" 1
336 1 28 THR H 1 28 THR HB 4.090 . 4.240 3.615 3.493 3.713 . 0 0 "[ . 1 . 2]" 1
337 1 28 THR H 1 28 THR MG 3.740 . 3.890 2.391 1.949 2.785 . 0 0 "[ . 1 . 2]" 1
338 1 28 THR HA 1 28 THR MG 3.460 . 3.610 2.427 2.251 2.645 . 0 0 "[ . 1 . 2]" 1
339 1 28 THR HA 1 29 THR H 3.360 . 3.510 2.338 2.250 2.475 . 0 0 "[ . 1 . 2]" 1
340 1 28 THR HA 1 30 LYS H 5.390 . 5.540 4.050 3.826 4.390 . 0 0 "[ . 1 . 2]" 1
341 1 28 THR HA 1 62 THR HA 3.660 . 3.810 2.796 2.424 3.399 . 0 0 "[ . 1 . 2]" 1
342 1 28 THR HA 1 62 THR MG 3.940 . 4.090 3.415 2.599 3.953 . 0 0 "[ . 1 . 2]" 1
343 1 28 THR HA 1 63 ILE H 5.010 . 5.160 3.618 3.233 4.097 . 0 0 "[ . 1 . 2]" 1
344 1 28 THR HB 1 29 THR H 3.810 . 3.960 2.823 2.476 3.119 . 0 0 "[ . 1 . 2]" 1
345 1 28 THR HB 1 30 LYS H 4.050 . 4.200 2.782 2.479 3.439 . 0 0 "[ . 1 . 2]" 1
346 1 28 THR MG 1 29 THR H 4.390 . 4.540 3.865 3.476 4.005 . 0 0 "[ . 1 . 2]" 1
347 1 28 THR MG 1 30 LYS H 4.900 . 5.050 4.236 3.947 4.462 . 0 0 "[ . 1 . 2]" 1
348 1 28 THR MG 1 31 GLU H 5.120 . 5.270 4.580 4.016 4.879 . 0 0 "[ . 1 . 2]" 1
349 1 28 THR MG 1 62 THR HA 5.260 . 5.410 4.154 3.799 4.814 . 0 0 "[ . 1 . 2]" 1
350 1 29 THR H 1 29 THR MG 3.460 . 3.610 2.234 1.672 2.459 . 0 0 "[ . 1 . 2]" 1
351 1 29 THR H 1 30 LYS H 3.910 . 4.060 2.739 2.565 2.912 . 0 0 "[ . 1 . 2]" 1
352 1 29 THR H 1 30 LYS QG 5.500 . 5.650 4.145 3.775 4.834 . 0 0 "[ . 1 . 2]" 1
353 1 29 THR H 1 62 THR HA 4.160 . 4.310 3.266 2.728 3.710 . 0 0 "[ . 1 . 2]" 1
354 1 29 THR H 1 63 ILE MD 4.990 . 5.140 4.066 3.753 4.325 . 0 0 "[ . 1 . 2]" 1
355 1 29 THR H 1 63 ILE QG 5.340 . 5.490 3.767 3.479 4.164 . 0 0 "[ . 1 . 2]" 1
356 1 29 THR HA 1 29 THR MG 3.530 . 3.680 2.642 2.306 3.189 . 0 0 "[ . 1 . 2]" 1
357 1 29 THR HA 1 31 GLU H 5.300 . 5.450 3.880 3.577 4.244 . 0 0 "[ . 1 . 2]" 1
358 1 29 THR HA 1 32 LEU H 4.870 . 5.020 3.473 3.194 3.730 . 0 0 "[ . 1 . 2]" 1
359 1 29 THR HA 1 32 LEU HB2 4.350 . 4.500 2.813 2.143 4.353 . 0 0 "[ . 1 . 2]" 1
360 1 29 THR HA 1 32 LEU HB3 4.350 . 4.500 3.904 2.892 4.565 0.065 9 0 "[ . 1 . 2]" 1
361 1 29 THR HA 1 32 LEU HG 5.130 . 5.280 4.518 3.351 5.325 0.045 17 0 "[ . 1 . 2]" 1
362 1 29 THR HA 1 63 ILE MD 3.760 . 3.910 2.341 1.992 3.153 . 0 0 "[ . 1 . 2]" 1
363 1 29 THR HB 1 32 LEU QD 4.700 . 4.850 4.204 3.673 4.997 0.147 9 0 "[ . 1 . 2]" 1
364 1 29 THR HB 1 52 ILE MD 4.390 . 4.540 3.517 2.216 4.469 . 0 0 "[ . 1 . 2]" 1
365 1 29 THR HB 1 52 ILE QG 4.100 . 4.250 3.200 2.216 4.247 . 0 0 "[ . 1 . 2]" 1
366 1 29 THR HB 1 52 ILE MG 4.950 . 5.100 3.090 2.068 3.849 . 0 0 "[ . 1 . 2]" 1
367 1 30 LYS H 1 30 LYS QB 3.410 . 3.560 2.434 2.304 2.551 . 0 0 "[ . 1 . 2]" 1
368 1 30 LYS H 1 30 LYS QG 3.980 . 4.130 2.257 2.037 2.609 . 0 0 "[ . 1 . 2]" 1
369 1 30 LYS HA 1 30 LYS QG 3.660 . 3.810 2.682 2.354 3.269 . 0 0 "[ . 1 . 2]" 1
370 1 30 LYS QB 1 31 GLU H 3.880 . 4.030 3.074 2.580 3.718 . 0 0 "[ . 1 . 2]" 1
371 1 31 GLU H 1 31 GLU HG2 4.790 . 4.940 4.265 3.671 4.909 . 0 0 "[ . 1 . 2]" 1
372 1 31 GLU H 1 31 GLU QG 4.100 . 4.250 3.537 2.789 4.244 . 0 0 "[ . 1 . 2]" 1
373 1 31 GLU H 1 31 GLU HG3 4.790 . 4.940 3.829 2.844 4.645 . 0 0 "[ . 1 . 2]" 1
374 1 31 GLU H 1 32 LEU H 3.290 . 3.440 2.307 2.132 2.471 . 0 0 "[ . 1 . 2]" 1
375 1 31 GLU H 1 32 LEU HA 5.500 . 5.650 4.550 4.169 4.977 . 0 0 "[ . 1 . 2]" 1
376 1 31 GLU HA 1 31 GLU QG 3.720 . 3.870 2.387 2.161 2.661 . 0 0 "[ . 1 . 2]" 1
377 1 31 GLU HA 1 34 THR H 4.230 . 4.380 3.251 2.880 4.132 . 0 0 "[ . 1 . 2]" 1
378 1 31 GLU QB 1 34 THR H 4.940 . 5.090 4.255 3.896 4.703 . 0 0 "[ . 1 . 2]" 1
379 1 32 LEU H 1 32 LEU HB2 3.750 . 3.900 2.339 2.070 3.511 . 0 0 "[ . 1 . 2]" 1
380 1 32 LEU H 1 32 LEU QB 3.210 . 3.360 2.134 2.034 2.329 . 0 0 "[ . 1 . 2]" 1
381 1 32 LEU H 1 32 LEU HB3 3.750 . 3.900 2.602 2.363 2.982 . 0 0 "[ . 1 . 2]" 1
382 1 32 LEU H 1 32 LEU HG 4.610 . 4.760 4.227 2.672 4.478 . 0 0 "[ . 1 . 2]" 1
383 1 32 LEU H 1 33 GLY H 4.180 . 4.330 2.847 2.745 2.957 . 0 0 "[ . 1 . 2]" 1
384 1 32 LEU HA 1 32 LEU QD 3.290 . 3.440 2.604 2.162 3.392 . 0 0 "[ . 1 . 2]" 1
385 1 32 LEU HA 1 35 VAL H 4.530 . 4.680 3.688 3.265 3.890 . 0 0 "[ . 1 . 2]" 1
386 1 32 LEU HA 1 35 VAL QG 3.900 . 4.050 2.813 2.182 3.654 . 0 0 "[ . 1 . 2]" 1
387 1 32 LEU HA 1 63 ILE MD 4.630 . 4.780 3.897 3.226 4.513 . 0 0 "[ . 1 . 2]" 1
388 1 32 LEU QB 1 32 LEU QD 2.740 . 2.890 1.945 1.887 2.053 . 0 0 "[ . 1 . 2]" 1
389 1 32 LEU QB 1 33 GLY H 3.840 . 3.990 2.481 2.265 3.628 . 0 0 "[ . 1 . 2]" 1
390 1 32 LEU QB 1 63 ILE MD 3.510 . 3.660 2.600 2.217 3.243 . 0 0 "[ . 1 . 2]" 1
391 1 32 LEU QD 1 35 VAL QG 3.970 . 4.120 3.565 2.668 4.325 0.205 5 0 "[ . 1 . 2]" 1
392 1 32 LEU QD 1 68 PHE QD 3.880 . 4.030 3.212 2.192 3.979 . 0 0 "[ . 1 . 2]" 1
393 1 33 GLY H 1 34 THR H 3.820 . 3.970 2.627 2.516 2.723 . 0 0 "[ . 1 . 2]" 1
394 1 33 GLY H 1 48 LEU MD1 4.540 . 4.690 4.072 2.801 4.769 0.079 9 0 "[ . 1 . 2]" 1
395 1 33 GLY H 1 48 LEU QD 3.900 . 4.050 3.342 2.707 4.111 0.061 10 0 "[ . 1 . 2]" 1
396 1 33 GLY H 1 48 LEU MD2 4.540 . 4.690 3.787 2.728 4.723 0.033 14 0 "[ . 1 . 2]" 1
397 1 33 GLY QA 1 36 MET QB 5.140 . 5.290 3.333 2.719 5.167 . 0 0 "[ . 1 . 2]" 1
398 1 33 GLY QA 1 48 LEU QD 3.820 . 3.970 2.523 2.080 3.116 . 0 0 "[ . 1 . 2]" 1
399 1 33 GLY HA2 1 37 ARG QB 5.500 . 5.650 4.907 4.666 5.442 . 0 0 "[ . 1 . 2]" 1
400 1 33 GLY HA2 1 48 LEU MD1 5.450 . 5.600 3.425 2.595 4.954 . 0 0 "[ . 1 . 2]" 1
401 1 33 GLY HA2 1 48 LEU MD2 5.450 . 5.600 3.321 2.488 4.758 . 0 0 "[ . 1 . 2]" 1
402 1 33 GLY HA3 1 37 ARG QB 5.500 . 5.650 5.007 4.651 5.655 0.005 14 0 "[ . 1 . 2]" 1
403 1 33 GLY HA3 1 48 LEU MD1 5.450 . 5.600 3.377 2.886 4.354 . 0 0 "[ . 1 . 2]" 1
404 1 33 GLY HA3 1 48 LEU MD2 5.450 . 5.600 3.307 2.204 4.526 . 0 0 "[ . 1 . 2]" 1
405 1 34 THR H 1 34 THR HB 3.480 . 3.630 2.728 2.598 3.026 . 0 0 "[ . 1 . 2]" 1
406 1 34 THR H 1 34 THR MG 4.610 . 4.760 3.707 3.509 3.769 . 0 0 "[ . 1 . 2]" 1
407 1 34 THR H 1 35 VAL H 3.660 . 3.810 2.586 2.392 2.763 . 0 0 "[ . 1 . 2]" 1
408 1 34 THR H 1 35 VAL HB 5.500 . 5.650 5.037 4.833 5.266 . 0 0 "[ . 1 . 2]" 1
409 1 34 THR H 1 35 VAL QG 5.440 . 5.590 3.838 3.509 4.253 . 0 0 "[ . 1 . 2]" 1
410 1 34 THR H 1 36 MET ME 5.500 . 5.650 5.328 4.772 5.731 0.081 8 0 "[ . 1 . 2]" 1
411 1 34 THR H 1 48 LEU QD 5.090 . 5.240 4.867 4.415 5.336 0.096 16 0 "[ . 1 . 2]" 1
412 1 34 THR HA 1 34 THR MG 3.380 . 3.530 2.319 2.219 2.404 . 0 0 "[ . 1 . 2]" 1
413 1 34 THR HA 1 37 ARG H 4.540 . 4.690 3.422 3.162 3.702 . 0 0 "[ . 1 . 2]" 1
414 1 34 THR HA 1 37 ARG QB 3.820 . 3.970 3.008 2.225 3.995 0.025 14 0 "[ . 1 . 2]" 1
415 1 34 THR HA 1 37 ARG HD2 5.500 . 5.650 4.240 2.952 5.696 0.046 19 0 "[ . 1 . 2]" 1
416 1 34 THR HA 1 37 ARG HD3 5.500 . 5.650 4.307 3.478 5.310 . 0 0 "[ . 1 . 2]" 1
417 1 34 THR HA 1 38 SER H 5.380 . 5.530 4.409 4.006 4.963 . 0 0 "[ . 1 . 2]" 1
418 1 34 THR HB 1 35 VAL H 3.690 . 3.840 2.766 2.527 3.085 . 0 0 "[ . 1 . 2]" 1
419 1 34 THR HB 1 35 VAL QG 4.750 . 4.900 3.572 3.165 4.301 . 0 0 "[ . 1 . 2]" 1
420 1 34 THR MG 1 35 VAL H 4.810 . 4.960 3.887 3.623 4.234 . 0 0 "[ . 1 . 2]" 1
421 1 34 THR MG 1 35 VAL HA 4.980 . 5.130 4.058 3.703 4.650 . 0 0 "[ . 1 . 2]" 1
422 1 35 VAL H 1 35 VAL HB 3.520 . 3.670 2.663 2.486 2.794 . 0 0 "[ . 1 . 2]" 1
423 1 35 VAL H 1 35 VAL MG1 4.510 . 4.660 3.482 2.142 3.812 . 0 0 "[ . 1 . 2]" 1
424 1 35 VAL H 1 35 VAL QG 3.340 . 3.490 2.054 1.875 2.264 . 0 0 "[ . 1 . 2]" 1
425 1 35 VAL H 1 35 VAL MG2 4.510 . 4.660 2.382 1.880 3.827 . 0 0 "[ . 1 . 2]" 1
426 1 35 VAL H 1 36 MET H 3.630 . 3.780 2.713 2.549 2.944 . 0 0 "[ . 1 . 2]" 1
427 1 35 VAL H 1 36 MET ME 5.500 . 5.650 5.113 4.004 5.732 0.082 18 0 "[ . 1 . 2]" 1
428 1 35 VAL HA 1 38 SER H 4.590 . 4.740 3.592 3.250 3.843 . 0 0 "[ . 1 . 2]" 1
429 1 35 VAL HA 1 38 SER HB2 4.660 . 4.810 3.791 3.007 4.817 0.007 14 0 "[ . 1 . 2]" 1
430 1 35 VAL HA 1 38 SER QB 4.080 . 4.230 3.333 2.689 3.934 . 0 0 "[ . 1 . 2]" 1
431 1 35 VAL HA 1 38 SER HB3 4.660 . 4.810 3.870 3.030 4.818 0.008 10 0 "[ . 1 . 2]" 1
432 1 35 VAL HB 1 36 MET H 4.020 . 4.170 2.798 2.358 4.008 . 0 0 "[ . 1 . 2]" 1
433 1 35 VAL QG 1 36 MET H 3.880 . 4.030 3.015 2.280 3.281 . 0 0 "[ . 1 . 2]" 1
434 1 35 VAL QG 1 36 MET HA 5.320 . 5.470 3.469 3.167 3.754 . 0 0 "[ . 1 . 2]" 1
435 1 35 VAL QG 1 39 LEU QD 3.480 . 3.630 2.974 2.388 3.541 . 0 0 "[ . 1 . 2]" 1
436 1 35 VAL MG1 1 36 MET H 4.590 . 4.740 3.293 2.299 3.774 . 0 0 "[ . 1 . 2]" 1
437 1 35 VAL MG2 1 36 MET H 4.590 . 4.740 3.690 3.440 3.870 . 0 0 "[ . 1 . 2]" 1
438 1 36 MET H 1 36 MET QB 3.550 . 3.700 2.269 2.014 2.557 . 0 0 "[ . 1 . 2]" 1
439 1 36 MET H 1 36 MET ME 5.100 . 5.250 3.558 2.680 4.040 . 0 0 "[ . 1 . 2]" 1
440 1 36 MET H 1 36 MET HG2 4.310 . 4.460 3.665 2.164 4.385 . 0 0 "[ . 1 . 2]" 1
441 1 36 MET H 1 36 MET QG 3.730 . 3.880 2.994 2.129 3.834 . 0 0 "[ . 1 . 2]" 1
442 1 36 MET H 1 36 MET HG3 4.310 . 4.460 3.356 2.306 4.296 . 0 0 "[ . 1 . 2]" 1
443 1 36 MET HA 1 36 MET QG 3.680 . 3.830 2.426 1.976 3.347 . 0 0 "[ . 1 . 2]" 1
444 1 36 MET QB 1 37 ARG H 3.980 . 4.130 2.939 2.532 3.649 . 0 0 "[ . 1 . 2]" 1
445 1 36 MET ME 1 36 MET QG 3.360 . 3.510 2.400 2.267 2.567 . 0 0 "[ . 1 . 2]" 1
446 1 36 MET ME 1 72 MET ME 3.540 . 3.690 3.273 2.222 3.883 0.193 18 0 "[ . 1 . 2]" 1
447 1 37 ARG H 1 37 ARG QB 3.200 . 3.350 2.304 2.186 2.520 . 0 0 "[ . 1 . 2]" 1
448 1 37 ARG H 1 37 ARG HD2 5.500 . 5.650 4.877 4.620 5.324 . 0 0 "[ . 1 . 2]" 1
449 1 37 ARG H 1 37 ARG QD 4.760 . 4.910 4.379 4.188 4.531 . 0 0 "[ . 1 . 2]" 1
450 1 37 ARG H 1 37 ARG HD3 5.500 . 5.650 4.972 4.717 5.163 . 0 0 "[ . 1 . 2]" 1
451 1 37 ARG H 1 37 ARG QG 4.440 . 4.590 3.495 2.241 4.018 . 0 0 "[ . 1 . 2]" 1
452 1 37 ARG H 1 38 SER H 3.680 . 3.830 2.637 2.495 2.739 . 0 0 "[ . 1 . 2]" 1
453 1 37 ARG HA 1 41 GLN H 4.070 . 4.220 3.340 2.726 4.024 . 0 0 "[ . 1 . 2]" 1
454 1 37 ARG HA 1 42 ASN HA 5.500 . 5.650 4.488 3.595 5.253 . 0 0 "[ . 1 . 2]" 1
455 1 37 ARG QB 1 38 SER H 3.850 . 4.000 2.997 2.637 3.748 . 0 0 "[ . 1 . 2]" 1
456 1 37 ARG QG 1 38 SER H 4.350 . 4.500 3.652 2.589 4.457 . 0 0 "[ . 1 . 2]" 1
457 1 38 SER H 1 38 SER QB 3.310 . 3.460 2.363 2.136 2.675 . 0 0 "[ . 1 . 2]" 1
458 1 38 SER H 1 39 LEU H 3.670 . 3.820 2.510 2.328 2.701 . 0 0 "[ . 1 . 2]" 1
459 1 38 SER HA 1 40 GLY H 4.760 . 4.910 3.586 3.431 3.920 . 0 0 "[ . 1 . 2]" 1
460 1 38 SER QB 1 39 LEU H 4.440 . 4.590 2.943 2.640 3.620 . 0 0 "[ . 1 . 2]" 1
461 1 38 SER HB2 1 39 LEU H 5.100 . 5.250 3.709 2.780 4.011 . 0 0 "[ . 1 . 2]" 1
462 1 38 SER HB3 1 39 LEU H 5.100 . 5.250 3.232 2.695 4.121 . 0 0 "[ . 1 . 2]" 1
463 1 39 LEU H 1 39 LEU QB 3.480 . 3.630 2.283 2.041 2.429 . 0 0 "[ . 1 . 2]" 1
464 1 39 LEU H 1 39 LEU MD1 4.440 . 4.590 3.636 2.586 4.178 . 0 0 "[ . 1 . 2]" 1
465 1 39 LEU H 1 39 LEU QD 3.740 . 3.890 3.129 2.203 3.713 . 0 0 "[ . 1 . 2]" 1
466 1 39 LEU H 1 39 LEU MD2 4.440 . 4.590 3.618 2.247 4.197 . 0 0 "[ . 1 . 2]" 1
467 1 39 LEU H 1 39 LEU HG 4.890 . 5.040 3.446 2.295 4.500 . 0 0 "[ . 1 . 2]" 1
468 1 39 LEU H 1 40 GLY H 3.730 . 3.880 2.527 2.361 2.737 . 0 0 "[ . 1 . 2]" 1
469 1 39 LEU H 1 41 GLN H 4.870 . 5.020 3.649 3.378 4.181 . 0 0 "[ . 1 . 2]" 1
470 1 39 LEU HA 1 39 LEU QD 3.240 . 3.390 2.245 2.055 2.652 . 0 0 "[ . 1 . 2]" 1
471 1 39 LEU QB 1 40 GLY H 4.310 . 4.460 3.340 2.880 3.508 . 0 0 "[ . 1 . 2]" 1
472 1 40 GLY H 1 41 GLN H 3.480 . 3.630 2.556 2.262 2.705 . 0 0 "[ . 1 . 2]" 1
473 1 40 GLY H 1 41 GLN HA 5.450 . 5.600 5.103 4.670 5.231 . 0 0 "[ . 1 . 2]" 1
474 1 41 GLN H 1 41 GLN HB2 3.990 . 4.140 2.585 2.110 3.049 . 0 0 "[ . 1 . 2]" 1
475 1 41 GLN H 1 41 GLN QB 3.470 . 3.620 2.320 2.072 2.647 . 0 0 "[ . 1 . 2]" 1
476 1 41 GLN H 1 41 GLN HB3 3.990 . 4.140 2.754 2.463 3.546 . 0 0 "[ . 1 . 2]" 1
477 1 41 GLN H 1 41 GLN QG 4.170 . 4.320 3.819 2.464 4.181 . 0 0 "[ . 1 . 2]" 1
478 1 41 GLN QB 1 42 ASN H 4.210 . 4.360 3.452 2.334 3.818 . 0 0 "[ . 1 . 2]" 1
479 1 41 GLN QB 1 43 PRO QD 4.340 . 4.490 3.202 2.488 4.500 0.010 4 0 "[ . 1 . 2]" 1
480 1 42 ASN HA 1 43 PRO HD2 4.050 . 4.200 2.369 2.240 2.722 . 0 0 "[ . 1 . 2]" 1
481 1 42 ASN HA 1 43 PRO QD 3.360 . 3.510 2.254 2.160 2.443 . 0 0 "[ . 1 . 2]" 1
482 1 42 ASN HA 1 43 PRO HD3 4.050 . 4.200 2.888 2.349 3.205 . 0 0 "[ . 1 . 2]" 1
483 1 43 PRO HA 1 44 THR H 3.300 . 3.450 2.317 2.201 2.471 . 0 0 "[ . 1 . 2]" 1
484 1 43 PRO QG 1 48 LEU MD1 4.600 . 4.750 2.920 2.298 4.032 . 0 0 "[ . 1 . 2]" 1
485 1 43 PRO QG 1 48 LEU QD 3.970 . 4.120 2.580 2.047 3.672 . 0 0 "[ . 1 . 2]" 1
486 1 43 PRO QG 1 48 LEU MD2 4.600 . 4.750 3.268 2.151 4.525 . 0 0 "[ . 1 . 2]" 1
487 1 44 THR H 1 44 THR MG 3.410 . 3.560 3.412 2.597 3.647 0.087 7 0 "[ . 1 . 2]" 1
488 1 44 THR H 1 46 ALA H 5.500 . 5.650 5.318 4.795 5.665 0.015 16 0 "[ . 1 . 2]" 1
489 1 44 THR H 1 47 GLU H 5.030 . 5.180 4.230 3.628 4.796 . 0 0 "[ . 1 . 2]" 1
490 1 44 THR H 1 47 GLU QB 3.650 . 3.800 3.236 2.368 3.870 0.070 3 0 "[ . 1 . 2]" 1
491 1 44 THR H 1 48 LEU H 5.500 . 5.650 5.013 4.338 5.497 . 0 0 "[ . 1 . 2]" 1
492 1 44 THR HA 1 44 THR MG 3.080 . 3.230 2.207 2.153 2.340 . 0 0 "[ . 1 . 2]" 1
493 1 44 THR HA 1 45 GLU H 3.190 . 3.340 2.335 2.188 2.440 . 0 0 "[ . 1 . 2]" 1
494 1 44 THR HA 1 45 GLU HA 4.630 . 4.780 4.280 4.241 4.366 . 0 0 "[ . 1 . 2]" 1
495 1 44 THR HB 1 45 GLU H 3.480 . 3.630 3.275 2.400 3.655 0.025 3 0 "[ . 1 . 2]" 1
496 1 44 THR HB 1 46 ALA H 3.630 . 3.780 2.798 2.145 3.334 . 0 0 "[ . 1 . 2]" 1
497 1 44 THR HB 1 47 GLU H 4.020 . 4.170 2.585 2.165 3.170 . 0 0 "[ . 1 . 2]" 1
498 1 44 THR HB 1 47 GLU QB 4.920 . 5.070 3.513 2.407 4.424 . 0 0 "[ . 1 . 2]" 1
499 1 44 THR MG 1 45 GLU H 4.110 . 4.260 2.707 2.275 3.501 . 0 0 "[ . 1 . 2]" 1
500 1 44 THR MG 1 46 ALA H 3.360 . 3.510 3.194 2.725 3.726 0.216 8 0 "[ . 1 . 2]" 1
501 1 45 GLU H 1 45 GLU QB 3.280 . 3.430 2.233 2.136 2.524 . 0 0 "[ . 1 . 2]" 1
502 1 45 GLU H 1 45 GLU HG2 4.520 . 4.670 4.169 2.097 4.502 . 0 0 "[ . 1 . 2]" 1
503 1 45 GLU H 1 45 GLU QG 3.750 . 3.900 3.643 2.077 3.955 0.055 6 0 "[ . 1 . 2]" 1
504 1 45 GLU H 1 45 GLU HG3 4.520 . 4.670 4.080 2.976 4.482 . 0 0 "[ . 1 . 2]" 1
505 1 45 GLU H 1 46 ALA H 3.750 . 3.900 2.701 2.561 2.818 . 0 0 "[ . 1 . 2]" 1
506 1 45 GLU HA 1 48 LEU QD 3.480 . 3.630 2.753 2.233 3.364 . 0 0 "[ . 1 . 2]" 1
507 1 45 GLU QB 1 46 ALA H 3.530 . 3.680 2.828 2.513 3.550 . 0 0 "[ . 1 . 2]" 1
508 1 45 GLU QB 1 48 LEU QD 4.390 . 4.540 3.969 3.244 4.493 . 0 0 "[ . 1 . 2]" 1
509 1 45 GLU QG 1 46 ALA H 4.380 . 4.530 3.815 2.476 4.453 . 0 0 "[ . 1 . 2]" 1
510 1 46 ALA H 1 46 ALA MB 2.840 . 2.990 2.238 2.222 2.257 . 0 0 "[ . 1 . 2]" 1
511 1 46 ALA H 1 47 GLU H 3.530 . 3.680 2.649 2.485 2.762 . 0 0 "[ . 1 . 2]" 1
512 1 46 ALA HA 1 49 GLN H 4.200 . 4.350 3.512 3.301 3.754 . 0 0 "[ . 1 . 2]" 1
513 1 46 ALA HA 1 49 GLN HB2 4.930 . 5.080 3.719 3.220 5.076 . 0 0 "[ . 1 . 2]" 1
514 1 46 ALA HA 1 49 GLN QB 4.220 . 4.370 3.203 2.751 4.078 . 0 0 "[ . 1 . 2]" 1
515 1 46 ALA HA 1 49 GLN HB3 4.930 . 5.080 3.619 2.935 4.852 . 0 0 "[ . 1 . 2]" 1
516 1 46 ALA MB 1 47 GLU H 3.490 . 3.640 2.606 2.426 2.751 . 0 0 "[ . 1 . 2]" 1
517 1 47 GLU H 1 47 GLU QB 3.190 . 3.340 2.398 2.154 2.866 . 0 0 "[ . 1 . 2]" 1
518 1 47 GLU H 1 48 LEU H 3.640 . 3.790 2.572 2.361 2.704 . 0 0 "[ . 1 . 2]" 1
519 1 47 GLU HA 1 50 ASP H 4.000 . 4.150 3.487 3.284 3.974 . 0 0 "[ . 1 . 2]" 1
520 1 47 GLU HA 1 50 ASP QB 3.920 . 4.070 3.004 2.562 3.867 . 0 0 "[ . 1 . 2]" 1
521 1 47 GLU QB 1 48 LEU H 4.230 . 4.380 2.641 2.387 2.844 . 0 0 "[ . 1 . 2]" 1
522 1 48 LEU H 1 48 LEU HB2 3.790 . 3.940 2.356 2.071 2.568 . 0 0 "[ . 1 . 2]" 1
523 1 48 LEU H 1 48 LEU QB 3.240 . 3.390 2.270 2.043 2.509 . 0 0 "[ . 1 . 2]" 1
524 1 48 LEU H 1 48 LEU HB3 3.790 . 3.940 3.210 2.437 3.539 . 0 0 "[ . 1 . 2]" 1
525 1 48 LEU H 1 48 LEU MD1 5.120 . 5.270 3.554 2.454 4.172 . 0 0 "[ . 1 . 2]" 1
526 1 48 LEU H 1 48 LEU QD 4.270 . 4.420 3.223 2.430 3.725 . 0 0 "[ . 1 . 2]" 1
527 1 48 LEU H 1 48 LEU MD2 5.120 . 5.270 3.848 3.203 4.341 . 0 0 "[ . 1 . 2]" 1
528 1 48 LEU H 1 48 LEU HG 4.390 . 4.540 3.335 2.198 4.480 . 0 0 "[ . 1 . 2]" 1
529 1 48 LEU H 1 49 GLN H 3.560 . 3.710 2.669 2.511 2.822 . 0 0 "[ . 1 . 2]" 1
530 1 48 LEU H 1 51 MET ME 5.170 . 5.320 4.100 3.342 5.348 0.028 13 0 "[ . 1 . 2]" 1
531 1 48 LEU HA 1 48 LEU QD 3.430 . 3.580 2.292 2.154 2.570 . 0 0 "[ . 1 . 2]" 1
532 1 48 LEU HA 1 48 LEU HG 3.810 . 3.960 2.860 2.403 3.215 . 0 0 "[ . 1 . 2]" 1
533 1 48 LEU HA 1 51 MET ME 3.370 . 3.520 2.652 2.102 3.675 0.155 13 0 "[ . 1 . 2]" 1
534 1 48 LEU HA 1 51 MET HG2 4.620 . 4.770 3.646 2.366 4.767 . 0 0 "[ . 1 . 2]" 1
535 1 48 LEU HA 1 51 MET QG 3.940 . 4.090 2.927 2.337 4.202 0.112 19 0 "[ . 1 . 2]" 1
536 1 48 LEU HA 1 51 MET HG3 4.620 . 4.770 3.612 2.982 4.870 0.100 19 0 "[ . 1 . 2]" 1
537 1 48 LEU QB 1 48 LEU QD 2.590 . 2.740 1.929 1.912 1.950 . 0 0 "[ . 1 . 2]" 1
538 1 48 LEU QB 1 49 GLN H 3.140 . 3.290 2.597 2.410 2.905 . 0 0 "[ . 1 . 2]" 1
539 1 48 LEU HB2 1 49 GLN H 3.640 . 3.790 3.030 2.523 3.753 . 0 0 "[ . 1 . 2]" 1
540 1 48 LEU HB3 1 49 GLN H 3.640 . 3.790 3.193 2.439 3.735 . 0 0 "[ . 1 . 2]" 1
541 1 48 LEU QD 1 51 MET ME 3.480 . 3.630 2.814 2.073 3.684 0.054 6 0 "[ . 1 . 2]" 1
542 1 48 LEU MD1 1 49 GLN H 5.500 . 5.650 4.517 4.313 4.825 . 0 0 "[ . 1 . 2]" 1
543 1 48 LEU MD2 1 49 GLN H 5.500 . 5.650 4.598 4.121 4.917 . 0 0 "[ . 1 . 2]" 1
544 1 49 GLN H 1 49 GLN HB2 3.810 . 3.960 2.526 2.329 3.557 . 0 0 "[ . 1 . 2]" 1
545 1 49 GLN H 1 49 GLN QB 3.180 . 3.330 2.270 2.177 2.637 . 0 0 "[ . 1 . 2]" 1
546 1 49 GLN H 1 49 GLN HB3 3.810 . 3.960 2.655 2.429 3.526 . 0 0 "[ . 1 . 2]" 1
547 1 49 GLN H 1 49 GLN QG 4.090 . 4.240 3.710 2.010 4.027 . 0 0 "[ . 1 . 2]" 1
548 1 49 GLN H 1 50 ASP H 3.740 . 3.890 2.657 2.451 2.872 . 0 0 "[ . 1 . 2]" 1
549 1 49 GLN H 1 52 ILE MD 5.500 . 5.650 4.394 4.114 4.706 . 0 0 "[ . 1 . 2]" 1
550 1 49 GLN HA 1 49 GLN QG 3.790 . 3.940 2.641 2.382 3.274 . 0 0 "[ . 1 . 2]" 1
551 1 49 GLN HA 1 52 ILE H 4.350 . 4.500 3.627 3.366 3.848 . 0 0 "[ . 1 . 2]" 1
552 1 49 GLN HA 1 52 ILE HB 3.520 . 3.670 3.069 2.778 3.479 . 0 0 "[ . 1 . 2]" 1
553 1 49 GLN HA 1 52 ILE MD 4.380 . 4.530 2.845 2.302 3.632 . 0 0 "[ . 1 . 2]" 1
554 1 49 GLN HA 1 53 ASN H 5.330 . 5.480 4.338 4.025 4.952 . 0 0 "[ . 1 . 2]" 1
555 1 49 GLN QB 1 50 ASP H 3.740 . 3.890 2.588 2.334 3.507 . 0 0 "[ . 1 . 2]" 1
556 1 49 GLN HB2 1 50 ASP H 4.280 . 4.430 3.652 2.639 3.928 . 0 0 "[ . 1 . 2]" 1
557 1 49 GLN HB3 1 50 ASP H 4.280 . 4.430 2.756 2.360 3.946 . 0 0 "[ . 1 . 2]" 1
558 1 50 ASP H 1 50 ASP HB2 3.690 . 3.840 2.368 2.179 2.485 . 0 0 "[ . 1 . 2]" 1
559 1 50 ASP H 1 50 ASP QB 3.100 . 3.250 2.285 2.109 2.400 . 0 0 "[ . 1 . 2]" 1
560 1 50 ASP H 1 50 ASP HB3 3.690 . 3.840 3.177 2.489 3.530 . 0 0 "[ . 1 . 2]" 1
561 1 50 ASP HA 1 53 ASN QB 3.860 . 4.010 3.139 2.315 3.987 . 0 0 "[ . 1 . 2]" 1
562 1 50 ASP QB 1 51 MET H 3.380 . 3.530 2.616 2.299 2.862 . 0 0 "[ . 1 . 2]" 1
563 1 51 MET H 1 51 MET HB2 3.960 . 4.110 3.080 2.341 3.611 . 0 0 "[ . 1 . 2]" 1
564 1 51 MET H 1 51 MET QB 3.380 . 3.530 2.465 2.308 2.580 . 0 0 "[ . 1 . 2]" 1
565 1 51 MET H 1 51 MET HB3 3.960 . 4.110 2.996 2.481 3.579 . 0 0 "[ . 1 . 2]" 1
566 1 51 MET H 1 51 MET HG2 4.100 . 4.250 2.794 2.168 3.622 . 0 0 "[ . 1 . 2]" 1
567 1 51 MET H 1 51 MET QG 3.260 . 3.410 2.337 2.089 3.094 . 0 0 "[ . 1 . 2]" 1
568 1 51 MET H 1 51 MET HG3 4.100 . 4.250 2.973 2.111 3.934 . 0 0 "[ . 1 . 2]" 1
569 1 51 MET H 1 52 ILE H 3.570 . 3.720 2.624 2.496 2.725 . 0 0 "[ . 1 . 2]" 1
570 1 51 MET HA 1 51 MET HG2 4.190 . 4.340 3.066 2.301 3.700 . 0 0 "[ . 1 . 2]" 1
571 1 51 MET HA 1 51 MET QG 3.560 . 3.710 2.815 2.227 3.342 . 0 0 "[ . 1 . 2]" 1
572 1 51 MET HA 1 51 MET HG3 4.190 . 4.340 3.388 2.702 4.083 . 0 0 "[ . 1 . 2]" 1
573 1 51 MET HA 1 53 ASN H 5.500 . 5.650 4.272 3.907 4.708 . 0 0 "[ . 1 . 2]" 1
574 1 51 MET HA 1 54 GLU H 4.190 . 4.340 3.542 3.139 4.072 . 0 0 "[ . 1 . 2]" 1
575 1 51 MET QB 1 52 ILE H 3.850 . 4.000 3.199 2.536 3.689 . 0 0 "[ . 1 . 2]" 1
576 1 51 MET HB2 1 52 ILE H 4.490 . 4.640 3.476 2.592 4.186 . 0 0 "[ . 1 . 2]" 1
577 1 51 MET HB3 1 52 ILE H 4.490 . 4.640 3.885 3.453 4.143 . 0 0 "[ . 1 . 2]" 1
578 1 51 MET ME 1 51 MET QG 3.380 . 3.530 2.386 2.204 2.480 . 0 0 "[ . 1 . 2]" 1
579 1 51 MET ME 1 52 ILE H 5.500 . 5.650 4.925 4.546 5.737 0.087 4 0 "[ . 1 . 2]" 1
580 1 52 ILE H 1 52 ILE HB 3.360 . 3.510 2.425 2.260 2.478 . 0 0 "[ . 1 . 2]" 1
581 1 52 ILE H 1 52 ILE MD 4.270 . 4.420 3.561 3.458 3.682 . 0 0 "[ . 1 . 2]" 1
582 1 52 ILE H 1 52 ILE HG12 4.030 . 4.180 3.744 3.655 3.923 . 0 0 "[ . 1 . 2]" 1
583 1 52 ILE H 1 52 ILE QG 3.200 . 3.350 2.457 2.342 2.715 . 0 0 "[ . 1 . 2]" 1
584 1 52 ILE H 1 52 ILE HG13 4.030 . 4.180 2.491 2.370 2.768 . 0 0 "[ . 1 . 2]" 1
585 1 52 ILE H 1 52 ILE MG 3.910 . 4.060 3.778 3.670 3.808 . 0 0 "[ . 1 . 2]" 1
586 1 52 ILE HA 1 52 ILE MD 4.500 . 4.650 3.836 3.775 3.871 . 0 0 "[ . 1 . 2]" 1
587 1 52 ILE HA 1 52 ILE QG 3.670 . 3.820 2.338 2.237 2.394 . 0 0 "[ . 1 . 2]" 1
588 1 52 ILE HA 1 52 ILE MG 3.430 . 3.580 2.570 2.508 2.743 . 0 0 "[ . 1 . 2]" 1
589 1 52 ILE HA 1 54 GLU H 5.410 . 5.560 3.978 3.762 4.256 . 0 0 "[ . 1 . 2]" 1
590 1 52 ILE HA 1 55 VAL H 5.500 . 5.650 3.571 3.334 3.872 . 0 0 "[ . 1 . 2]" 1
591 1 52 ILE HA 1 55 VAL QG 3.840 . 3.990 2.566 2.093 3.015 . 0 0 "[ . 1 . 2]" 1
592 1 52 ILE HA 1 71 MET ME 4.750 . 4.900 4.318 3.087 4.950 0.050 18 0 "[ . 1 . 2]" 1
593 1 52 ILE HB 1 53 ASN H 3.830 . 3.980 2.818 2.650 3.039 . 0 0 "[ . 1 . 2]" 1
594 1 52 ILE MG 1 53 ASN H 4.090 . 4.240 3.416 3.120 3.675 . 0 0 "[ . 1 . 2]" 1
595 1 52 ILE MG 1 53 ASN HA 4.450 . 4.600 3.315 3.025 3.583 . 0 0 "[ . 1 . 2]" 1
596 1 53 ASN H 1 53 ASN HB2 3.690 . 3.840 2.465 2.119 3.592 . 0 0 "[ . 1 . 2]" 1
597 1 53 ASN H 1 53 ASN QB 3.180 . 3.330 2.316 2.098 2.538 . 0 0 "[ . 1 . 2]" 1
598 1 53 ASN H 1 53 ASN HB3 3.690 . 3.840 3.360 2.238 3.567 . 0 0 "[ . 1 . 2]" 1
599 1 53 ASN H 1 54 GLU H 3.790 . 3.940 2.689 2.576 2.821 . 0 0 "[ . 1 . 2]" 1
600 1 53 ASN QB 1 54 GLU H 3.830 . 3.980 3.009 2.612 3.764 . 0 0 "[ . 1 . 2]" 1
601 1 53 ASN HB2 1 54 GLU H 4.370 . 4.520 3.243 2.720 4.262 . 0 0 "[ . 1 . 2]" 1
602 1 53 ASN HB3 1 54 GLU H 4.370 . 4.520 3.719 2.935 4.238 . 0 0 "[ . 1 . 2]" 1
603 1 54 GLU H 1 54 GLU QB 3.270 . 3.420 2.232 2.123 2.402 . 0 0 "[ . 1 . 2]" 1
604 1 54 GLU H 1 54 GLU HG2 4.880 . 5.030 4.552 4.468 4.639 . 0 0 "[ . 1 . 2]" 1
605 1 54 GLU H 1 54 GLU QG 4.120 . 4.270 4.007 3.935 4.070 . 0 0 "[ . 1 . 2]" 1
606 1 54 GLU H 1 54 GLU HG3 4.880 . 5.030 4.447 4.369 4.541 . 0 0 "[ . 1 . 2]" 1
607 1 54 GLU H 1 55 VAL QG 4.790 . 4.940 3.869 3.420 4.552 . 0 0 "[ . 1 . 2]" 1
608 1 54 GLU H 1 56 ASP H 3.930 . 4.080 3.995 3.847 4.121 0.041 11 0 "[ . 1 . 2]" 1
609 1 54 GLU HA 1 54 GLU QG 3.500 . 3.650 2.593 2.362 2.917 . 0 0 "[ . 1 . 2]" 1
610 1 54 GLU QB 1 55 VAL H 3.800 . 3.950 2.681 2.474 2.912 . 0 0 "[ . 1 . 2]" 1
611 1 54 GLU QG 1 55 VAL H 5.340 . 5.490 3.931 3.621 4.198 . 0 0 "[ . 1 . 2]" 1
612 1 55 VAL H 1 55 VAL HB 3.960 . 4.110 3.134 2.351 3.736 . 0 0 "[ . 1 . 2]" 1
613 1 55 VAL H 1 55 VAL QG 3.350 . 3.500 2.180 1.933 2.713 . 0 0 "[ . 1 . 2]" 1
614 1 55 VAL H 1 56 ASP H 3.460 . 3.610 2.400 2.138 2.738 . 0 0 "[ . 1 . 2]" 1
615 1 55 VAL HB 1 56 ASP H 4.030 . 4.180 3.935 2.696 4.159 . 0 0 "[ . 1 . 2]" 1
616 1 55 VAL QG 1 56 ASP H 3.880 . 4.030 2.648 2.307 3.295 . 0 0 "[ . 1 . 2]" 1
617 1 55 VAL QG 1 56 ASP HA 4.870 . 5.020 3.434 3.128 3.930 . 0 0 "[ . 1 . 2]" 1
618 1 55 VAL QG 1 56 ASP QB 4.230 . 4.380 3.323 2.543 4.474 0.094 6 0 "[ . 1 . 2]" 1
619 1 55 VAL QG 1 71 MET ME 3.420 . 3.570 2.349 1.873 2.854 . 0 0 "[ . 1 . 2]" 1
620 1 55 VAL MG1 1 57 ALA H 5.500 . 5.650 4.899 4.327 5.703 0.053 12 0 "[ . 1 . 2]" 1
621 1 55 VAL MG1 1 71 MET ME 4.180 . 4.330 2.798 2.105 4.102 . 0 0 "[ . 1 . 2]" 1
622 1 55 VAL MG2 1 57 ALA H 5.500 . 5.650 4.649 4.339 5.305 . 0 0 "[ . 1 . 2]" 1
623 1 55 VAL MG2 1 71 MET ME 4.180 . 4.330 2.793 2.099 3.781 . 0 0 "[ . 1 . 2]" 1
624 1 56 ASP H 1 56 ASP HB2 3.970 . 4.120 2.802 2.153 3.888 . 0 0 "[ . 1 . 2]" 1
625 1 56 ASP H 1 56 ASP HB3 3.970 . 4.120 2.921 2.306 3.479 . 0 0 "[ . 1 . 2]" 1
626 1 56 ASP H 1 57 ALA H 3.840 . 3.990 2.841 2.318 3.536 . 0 0 "[ . 1 . 2]" 1
627 1 56 ASP HA 1 57 ALA MB 5.380 . 5.530 4.568 4.119 4.948 . 0 0 "[ . 1 . 2]" 1
628 1 56 ASP HA 1 58 ASP H 4.750 . 4.900 3.625 3.222 4.512 . 0 0 "[ . 1 . 2]" 1
629 1 57 ALA H 1 57 ALA MB 3.160 . 3.310 2.216 2.189 2.254 . 0 0 "[ . 1 . 2]" 1
630 1 57 ALA H 1 58 ASP H 3.420 . 3.570 2.737 2.573 2.983 . 0 0 "[ . 1 . 2]" 1
631 1 57 ALA H 1 59 GLY H 4.790 . 4.940 3.961 3.531 4.316 . 0 0 "[ . 1 . 2]" 1
632 1 57 ALA HA 1 59 GLY H 4.830 . 4.980 3.849 3.547 4.338 . 0 0 "[ . 1 . 2]" 1
633 1 57 ALA MB 1 58 ASP H 3.840 . 3.990 2.750 2.460 2.978 . 0 0 "[ . 1 . 2]" 1
634 1 58 ASP H 1 58 ASP QB 3.370 . 3.520 2.290 2.132 2.564 . 0 0 "[ . 1 . 2]" 1
635 1 58 ASP H 1 59 GLY H 3.600 . 3.750 2.388 2.075 2.625 . 0 0 "[ . 1 . 2]" 1
636 1 58 ASP H 1 59 GLY QA 5.100 . 5.250 4.261 3.981 4.481 . 0 0 "[ . 1 . 2]" 1
637 1 59 GLY H 1 60 ASN H 3.820 . 3.970 2.705 2.524 3.207 . 0 0 "[ . 1 . 2]" 1
638 1 59 GLY H 1 61 GLY H 5.500 . 5.650 4.105 3.478 4.642 . 0 0 "[ . 1 . 2]" 1
639 1 59 GLY QA 1 61 GLY H 4.370 . 4.520 3.552 3.191 3.844 . 0 0 "[ . 1 . 2]" 1
640 1 60 ASN H 1 60 ASN QB 3.540 . 3.690 2.524 2.164 2.775 . 0 0 "[ . 1 . 2]" 1
641 1 60 ASN H 1 61 GLY H 3.750 . 3.900 2.432 2.261 2.650 . 0 0 "[ . 1 . 2]" 1
642 1 60 ASN H 1 62 THR H 5.360 . 5.510 4.171 3.795 4.519 . 0 0 "[ . 1 . 2]" 1
643 1 60 ASN QB 1 62 THR H 4.400 . 4.550 3.501 2.820 4.312 . 0 0 "[ . 1 . 2]" 1
644 1 60 ASN HB2 1 61 GLY H 5.500 . 5.650 3.930 3.053 4.362 . 0 0 "[ . 1 . 2]" 1
645 1 60 ASN HB2 1 62 THR H 5.150 . 5.300 3.740 2.996 4.704 . 0 0 "[ . 1 . 2]" 1
646 1 60 ASN HB3 1 61 GLY H 5.500 . 5.650 4.077 3.205 4.281 . 0 0 "[ . 1 . 2]" 1
647 1 60 ASN HB3 1 62 THR H 5.150 . 5.300 4.330 3.436 5.093 . 0 0 "[ . 1 . 2]" 1
648 1 61 GLY H 1 62 THR H 3.870 . 4.020 2.718 2.498 2.917 . 0 0 "[ . 1 . 2]" 1
649 1 62 THR H 1 62 THR MG 3.930 . 4.080 3.099 2.729 3.876 . 0 0 "[ . 1 . 2]" 1
650 1 62 THR HA 1 62 THR MG 3.530 . 3.680 2.328 2.180 2.406 . 0 0 "[ . 1 . 2]" 1
651 1 62 THR HA 1 63 ILE H 3.540 . 3.690 2.408 2.294 2.572 . 0 0 "[ . 1 . 2]" 1
652 1 62 THR HA 1 63 ILE HA 4.990 . 5.140 4.363 4.299 4.433 . 0 0 "[ . 1 . 2]" 1
653 1 62 THR HB 1 63 ILE H 3.680 . 3.830 2.748 2.369 3.776 . 0 0 "[ . 1 . 2]" 1
654 1 62 THR MG 1 63 ILE H 4.340 . 4.490 3.482 2.281 3.821 . 0 0 "[ . 1 . 2]" 1
655 1 63 ILE H 1 63 ILE HB 4.200 . 4.350 2.788 2.672 2.880 . 0 0 "[ . 1 . 2]" 1
656 1 63 ILE H 1 63 ILE HG12 5.140 . 5.290 4.006 3.657 4.201 . 0 0 "[ . 1 . 2]" 1
657 1 63 ILE H 1 63 ILE QG 4.400 . 4.550 2.863 2.509 3.095 . 0 0 "[ . 1 . 2]" 1
658 1 63 ILE H 1 63 ILE HG13 5.140 . 5.290 2.933 2.556 3.187 . 0 0 "[ . 1 . 2]" 1
659 1 63 ILE HA 1 64 ASP H 3.410 . 3.560 2.189 2.139 2.234 . 0 0 "[ . 1 . 2]" 1
660 1 63 ILE HB 1 64 ASP H 4.930 . 5.080 4.254 4.143 4.362 . 0 0 "[ . 1 . 2]" 1
661 1 63 ILE MD 1 63 ILE MG 2.960 . 3.110 2.085 2.012 2.175 . 0 0 "[ . 1 . 2]" 1
662 1 63 ILE MD 1 68 PHE HA 4.540 . 4.690 4.440 3.905 4.802 0.112 14 0 "[ . 1 . 2]" 1
663 1 63 ILE MD 1 71 MET ME 3.650 . 3.800 2.775 1.954 3.953 0.153 7 0 "[ . 1 . 2]" 1
664 1 63 ILE QG 1 64 ASP H 5.040 . 5.190 4.296 4.062 4.407 . 0 0 "[ . 1 . 2]" 1
665 1 63 ILE MG 1 64 ASP H 3.930 . 4.080 3.014 2.799 3.234 . 0 0 "[ . 1 . 2]" 1
666 1 63 ILE MG 1 64 ASP HA 5.340 . 5.490 4.165 3.971 4.359 . 0 0 "[ . 1 . 2]" 1
667 1 63 ILE MG 1 64 ASP HB2 5.500 . 5.650 4.460 4.124 4.955 . 0 0 "[ . 1 . 2]" 1
668 1 63 ILE MG 1 64 ASP QB 4.850 . 5.000 4.194 3.912 4.516 . 0 0 "[ . 1 . 2]" 1
669 1 63 ILE MG 1 64 ASP HB3 5.500 . 5.650 5.142 4.628 5.495 . 0 0 "[ . 1 . 2]" 1
670 1 63 ILE MG 1 65 PHE H 5.500 . 5.650 4.995 4.789 5.206 . 0 0 "[ . 1 . 2]" 1
671 1 63 ILE MG 1 67 GLU QB 3.680 . 3.830 2.722 2.234 3.767 . 0 0 "[ . 1 . 2]" 1
672 1 63 ILE MG 1 68 PHE H 4.340 . 4.490 2.862 2.593 3.208 . 0 0 "[ . 1 . 2]" 1
673 1 63 ILE MG 1 68 PHE HA 4.170 . 4.320 2.820 2.352 3.257 . 0 0 "[ . 1 . 2]" 1
674 1 63 ILE MG 1 68 PHE QB 3.920 . 4.070 2.288 2.091 2.570 . 0 0 "[ . 1 . 2]" 1
675 1 63 ILE MG 1 68 PHE QD 4.170 . 4.320 2.653 2.169 3.614 . 0 0 "[ . 1 . 2]" 1
676 1 63 ILE MG 1 71 MET ME 4.020 . 4.170 2.470 2.116 3.058 . 0 0 "[ . 1 . 2]" 1
677 1 64 ASP H 1 67 GLU HB2 4.470 . 4.620 3.373 2.920 4.524 . 0 0 "[ . 1 . 2]" 1
678 1 64 ASP H 1 67 GLU QB 3.750 . 3.900 3.185 2.867 3.458 . 0 0 "[ . 1 . 2]" 1
679 1 64 ASP H 1 67 GLU HB3 4.470 . 4.620 4.373 3.296 4.624 0.004 14 0 "[ . 1 . 2]" 1
680 1 64 ASP HA 1 65 PHE HA 5.500 . 5.650 4.166 4.052 4.275 . 0 0 "[ . 1 . 2]" 1
681 1 64 ASP HA 1 66 PRO QD 5.350 . 5.500 3.876 3.662 4.202 . 0 0 "[ . 1 . 2]" 1
682 1 64 ASP QB 1 65 PHE H 3.550 . 3.700 2.715 2.229 3.190 . 0 0 "[ . 1 . 2]" 1
683 1 64 ASP QB 1 66 PRO QD 3.800 . 3.950 2.136 1.905 2.316 . 0 0 "[ . 1 . 2]" 1
684 1 64 ASP HB2 1 65 PHE H 4.320 . 4.470 3.858 3.558 4.189 . 0 0 "[ . 1 . 2]" 1
685 1 64 ASP HB2 1 66 PRO HD2 4.970 . 5.120 3.042 2.528 3.795 . 0 0 "[ . 1 . 2]" 1
686 1 64 ASP HB2 1 66 PRO HD3 4.970 . 5.120 4.538 4.002 5.151 0.031 10 0 "[ . 1 . 2]" 1
687 1 64 ASP HB3 1 65 PHE H 4.320 . 4.470 2.778 2.253 3.352 . 0 0 "[ . 1 . 2]" 1
688 1 64 ASP HB3 1 66 PRO HD2 4.970 . 5.120 2.235 1.922 2.549 . 0 0 "[ . 1 . 2]" 1
689 1 64 ASP HB3 1 66 PRO HD3 4.970 . 5.120 3.478 2.987 3.871 . 0 0 "[ . 1 . 2]" 1
690 1 65 PHE H 1 65 PHE HB2 3.960 . 4.110 2.792 2.077 3.532 . 0 0 "[ . 1 . 2]" 1
691 1 65 PHE H 1 65 PHE HB3 3.960 . 4.110 2.622 2.370 3.533 . 0 0 "[ . 1 . 2]" 1
692 1 65 PHE H 1 65 PHE QD 5.010 . 5.160 3.370 2.113 4.255 . 0 0 "[ . 1 . 2]" 1
693 1 65 PHE H 1 66 PRO HD2 3.740 . 3.890 2.974 2.732 3.422 . 0 0 "[ . 1 . 2]" 1
694 1 65 PHE H 1 66 PRO HD3 3.740 . 3.890 3.344 2.841 3.622 . 0 0 "[ . 1 . 2]" 1
695 1 65 PHE HA 1 65 PHE QD 3.880 . 4.030 3.172 2.581 3.739 . 0 0 "[ . 1 . 2]" 1
696 1 65 PHE HA 1 68 PHE H 4.400 . 4.550 3.493 3.236 3.954 . 0 0 "[ . 1 . 2]" 1
697 1 65 PHE HA 1 68 PHE HB2 4.810 . 4.960 3.509 3.017 4.285 . 0 0 "[ . 1 . 2]" 1
698 1 65 PHE HA 1 68 PHE QB 3.960 . 4.110 2.872 2.409 3.398 . 0 0 "[ . 1 . 2]" 1
699 1 65 PHE HA 1 68 PHE HB3 4.810 . 4.960 3.077 2.490 3.588 . 0 0 "[ . 1 . 2]" 1
700 1 65 PHE HA 1 69 LEU H 4.610 . 4.760 4.296 3.954 4.671 . 0 0 "[ . 1 . 2]" 1
701 1 65 PHE QB 1 66 PRO QD 3.390 . 3.540 2.725 2.172 3.495 . 0 0 "[ . 1 . 2]" 1
702 1 65 PHE HB2 1 66 PRO HD2 4.700 . 4.850 4.409 3.145 4.770 . 0 0 "[ . 1 . 2]" 1
703 1 65 PHE HB2 1 66 PRO HD3 4.700 . 4.850 3.839 2.271 4.355 . 0 0 "[ . 1 . 2]" 1
704 1 65 PHE HB3 1 66 PRO HD2 4.700 . 4.850 3.807 3.069 4.640 . 0 0 "[ . 1 . 2]" 1
705 1 65 PHE HB3 1 66 PRO HD3 4.700 . 4.850 3.126 2.214 4.268 . 0 0 "[ . 1 . 2]" 1
706 1 66 PRO HA 1 69 LEU H 4.730 . 4.880 3.315 3.147 3.467 . 0 0 "[ . 1 . 2]" 1
707 1 66 PRO HA 1 69 LEU HB2 4.550 . 4.700 3.004 2.587 3.892 . 0 0 "[ . 1 . 2]" 1
708 1 66 PRO HA 1 69 LEU QB 3.880 . 4.030 2.769 2.542 3.061 . 0 0 "[ . 1 . 2]" 1
709 1 66 PRO HA 1 69 LEU HB3 4.550 . 4.700 3.869 2.641 4.650 . 0 0 "[ . 1 . 2]" 1
710 1 66 PRO HA 1 69 LEU QD 4.150 . 4.300 3.234 2.611 3.801 . 0 0 "[ . 1 . 2]" 1
711 1 66 PRO HA 1 69 LEU HG 5.050 . 5.200 4.452 3.767 5.215 0.015 6 0 "[ . 1 . 2]" 1
712 1 66 PRO QB 1 67 GLU H 3.960 . 4.110 3.189 2.587 3.413 . 0 0 "[ . 1 . 2]" 1
713 1 66 PRO QD 1 68 PHE H 5.100 . 5.250 4.349 4.102 4.808 . 0 0 "[ . 1 . 2]" 1
714 1 66 PRO HD2 1 67 GLU H 4.030 . 4.180 2.684 2.442 2.962 . 0 0 "[ . 1 . 2]" 1
715 1 66 PRO HD3 1 67 GLU H 4.030 . 4.180 3.824 3.693 3.974 . 0 0 "[ . 1 . 2]" 1
716 1 66 PRO QG 1 67 GLU H 3.780 . 3.930 2.717 2.314 3.789 . 0 0 "[ . 1 . 2]" 1
717 1 66 PRO HG2 1 67 GLU H 4.310 . 4.460 2.798 2.333 4.105 . 0 0 "[ . 1 . 2]" 1
718 1 66 PRO HG3 1 67 GLU H 4.310 . 4.460 4.009 3.800 4.451 . 0 0 "[ . 1 . 2]" 1
719 1 67 GLU H 1 67 GLU HB2 3.650 . 3.800 2.522 2.207 3.394 . 0 0 "[ . 1 . 2]" 1
720 1 67 GLU H 1 67 GLU HB3 3.650 . 3.800 3.378 2.169 3.552 . 0 0 "[ . 1 . 2]" 1
721 1 67 GLU H 1 67 GLU HG2 4.020 . 4.170 2.910 2.129 4.007 . 0 0 "[ . 1 . 2]" 1
722 1 67 GLU H 1 67 GLU QG 3.360 . 3.510 2.693 2.068 3.497 . 0 0 "[ . 1 . 2]" 1
723 1 67 GLU H 1 67 GLU HG3 4.020 . 4.170 3.676 2.093 4.138 . 0 0 "[ . 1 . 2]" 1
724 1 67 GLU H 1 68 PHE H 3.680 . 3.830 2.551 2.434 2.758 . 0 0 "[ . 1 . 2]" 1
725 1 67 GLU HA 1 67 GLU HG2 3.860 . 4.010 3.282 2.644 3.677 . 0 0 "[ . 1 . 2]" 1
726 1 67 GLU HA 1 67 GLU HG3 3.860 . 4.010 3.215 2.340 3.691 . 0 0 "[ . 1 . 2]" 1
727 1 67 GLU HA 1 70 THR H 4.270 . 4.420 3.263 2.984 3.520 . 0 0 "[ . 1 . 2]" 1
728 1 67 GLU HA 1 70 THR HB 4.040 . 4.190 2.747 2.328 3.129 . 0 0 "[ . 1 . 2]" 1
729 1 67 GLU QB 1 68 PHE H 3.940 . 4.090 2.694 2.318 3.380 . 0 0 "[ . 1 . 2]" 1
730 1 67 GLU QB 1 70 THR HB 5.340 . 5.490 4.239 3.701 4.647 . 0 0 "[ . 1 . 2]" 1
731 1 67 GLU HB2 1 68 PHE H 4.480 . 4.630 2.853 2.356 4.247 . 0 0 "[ . 1 . 2]" 1
732 1 67 GLU HB3 1 68 PHE H 4.480 . 4.630 3.582 3.275 3.924 . 0 0 "[ . 1 . 2]" 1
733 1 68 PHE H 1 68 PHE HB2 4.200 . 4.350 2.458 2.331 2.597 . 0 0 "[ . 1 . 2]" 1
734 1 68 PHE H 1 68 PHE HB3 4.200 . 4.350 2.575 2.458 2.748 . 0 0 "[ . 1 . 2]" 1
735 1 68 PHE H 1 68 PHE QD 4.710 . 4.860 4.198 4.133 4.239 . 0 0 "[ . 1 . 2]" 1
736 1 68 PHE HA 1 68 PHE QD 4.010 . 4.160 2.677 2.320 3.163 . 0 0 "[ . 1 . 2]" 1
737 1 68 PHE HA 1 70 THR H 5.470 . 5.620 4.402 4.261 4.557 . 0 0 "[ . 1 . 2]" 1
738 1 68 PHE HA 1 71 MET H 5.500 . 5.650 3.633 3.285 3.963 . 0 0 "[ . 1 . 2]" 1
739 1 68 PHE HA 1 71 MET ME 3.700 . 3.850 2.888 2.126 3.933 0.083 5 0 "[ . 1 . 2]" 1
740 1 68 PHE QB 1 69 LEU H 3.990 . 4.140 2.553 2.452 2.840 . 0 0 "[ . 1 . 2]" 1
741 1 68 PHE QD 1 69 LEU H 4.820 . 4.970 3.780 3.407 4.388 . 0 0 "[ . 1 . 2]" 1
742 1 69 LEU H 1 69 LEU HB2 4.150 . 4.300 2.248 2.078 2.533 . 0 0 "[ . 1 . 2]" 1
743 1 69 LEU H 1 69 LEU QB 3.500 . 3.650 2.157 2.056 2.347 . 0 0 "[ . 1 . 2]" 1
744 1 69 LEU H 1 69 LEU HB3 4.150 . 4.300 3.147 2.395 3.505 . 0 0 "[ . 1 . 2]" 1
745 1 69 LEU H 1 69 LEU QD 4.640 . 4.790 3.109 2.390 3.734 . 0 0 "[ . 1 . 2]" 1
746 1 69 LEU H 1 69 LEU HG 4.480 . 4.630 3.885 2.448 4.476 . 0 0 "[ . 1 . 2]" 1
747 1 69 LEU H 1 70 THR H 3.810 . 3.960 2.627 2.499 2.685 . 0 0 "[ . 1 . 2]" 1
748 1 69 LEU HA 1 69 LEU MD1 4.360 . 4.510 2.678 2.098 3.866 . 0 0 "[ . 1 . 2]" 1
749 1 69 LEU HA 1 69 LEU QD 3.300 . 3.450 2.165 2.024 2.347 . 0 0 "[ . 1 . 2]" 1
750 1 69 LEU HA 1 69 LEU MD2 4.360 . 4.510 2.806 2.227 3.902 . 0 0 "[ . 1 . 2]" 1
751 1 69 LEU HA 1 69 LEU HG 4.120 . 4.270 3.219 2.420 3.654 . 0 0 "[ . 1 . 2]" 1
752 1 69 LEU HA 1 72 MET H 4.660 . 4.810 3.622 3.339 3.968 . 0 0 "[ . 1 . 2]" 1
753 1 69 LEU HA 1 72 MET QB 4.890 . 5.040 3.128 2.596 5.070 0.030 6 0 "[ . 1 . 2]" 1
754 1 69 LEU HA 1 73 ALA H 5.260 . 5.410 4.448 4.033 4.826 . 0 0 "[ . 1 . 2]" 1
755 1 69 LEU HB2 1 70 THR H 4.060 . 4.210 3.092 2.646 3.859 . 0 0 "[ . 1 . 2]" 1
756 1 69 LEU HB3 1 70 THR H 4.060 . 4.210 3.031 2.518 3.543 . 0 0 "[ . 1 . 2]" 1
757 1 70 THR H 1 70 THR HB 3.560 . 3.710 2.580 2.542 2.642 . 0 0 "[ . 1 . 2]" 1
758 1 70 THR H 1 70 THR MG 4.520 . 4.670 3.755 3.730 3.786 . 0 0 "[ . 1 . 2]" 1
759 1 70 THR HA 1 73 ALA H 4.700 . 4.850 3.451 3.160 3.804 . 0 0 "[ . 1 . 2]" 1
760 1 70 THR HA 1 73 ALA MB 3.610 . 3.760 2.870 2.421 3.189 . 0 0 "[ . 1 . 2]" 1
761 1 70 THR HB 1 71 MET H 4.040 . 4.190 2.651 2.547 2.753 . 0 0 "[ . 1 . 2]" 1
762 1 70 THR HB 1 71 MET QB 5.340 . 5.490 4.412 4.016 4.855 . 0 0 "[ . 1 . 2]" 1
763 1 70 THR HB 1 71 MET ME 5.500 . 5.650 5.053 4.494 5.749 0.099 1 0 "[ . 1 . 2]" 1
764 1 70 THR MG 1 71 MET H 4.510 . 4.660 3.582 3.439 3.747 . 0 0 "[ . 1 . 2]" 1
765 1 71 MET H 1 71 MET HG2 4.400 . 4.550 3.552 2.167 4.364 . 0 0 "[ . 1 . 2]" 1
766 1 71 MET H 1 71 MET QG 3.720 . 3.870 2.835 2.136 3.831 . 0 0 "[ . 1 . 2]" 1
767 1 71 MET H 1 71 MET HG3 4.400 . 4.550 3.197 2.269 4.316 . 0 0 "[ . 1 . 2]" 1
768 1 71 MET H 1 72 MET H 3.830 . 3.980 2.707 2.608 3.146 . 0 0 "[ . 1 . 2]" 1
769 1 71 MET H 1 73 ALA H 5.170 . 5.320 4.133 3.940 4.275 . 0 0 "[ . 1 . 2]" 1
770 1 71 MET HA 1 71 MET QG 3.550 . 3.700 2.493 2.133 3.233 . 0 0 "[ . 1 . 2]" 1
771 1 71 MET QB 1 72 MET H 3.830 . 3.980 2.807 2.351 3.596 . 0 0 "[ . 1 . 2]" 1
772 1 71 MET ME 1 71 MET HG2 3.720 . 3.870 2.935 2.347 3.418 . 0 0 "[ . 1 . 2]" 1
773 1 71 MET ME 1 71 MET HG3 3.720 . 3.870 2.828 2.430 3.397 . 0 0 "[ . 1 . 2]" 1
774 1 72 MET H 1 72 MET QB 3.500 . 3.650 2.221 2.095 2.492 . 0 0 "[ . 1 . 2]" 1
775 1 72 MET H 1 72 MET HG2 4.820 . 4.970 4.422 3.555 4.562 . 0 0 "[ . 1 . 2]" 1
776 1 72 MET H 1 72 MET QG 4.210 . 4.360 3.911 3.340 4.009 . 0 0 "[ . 1 . 2]" 1
777 1 72 MET H 1 72 MET HG3 4.820 . 4.970 4.370 4.055 4.470 . 0 0 "[ . 1 . 2]" 1
778 1 72 MET H 1 73 ALA H 3.730 . 3.880 2.598 2.379 2.690 . 0 0 "[ . 1 . 2]" 1
779 1 72 MET HA 1 72 MET ME 3.860 . 4.010 3.472 2.817 4.166 0.156 18 0 "[ . 1 . 2]" 1
780 1 72 MET HA 1 75 LYS H 4.100 . 4.250 3.814 3.438 4.083 . 0 0 "[ . 1 . 2]" 1
781 1 72 MET HA 1 75 LYS QB 3.940 . 4.090 3.698 2.898 4.227 0.137 14 0 "[ . 1 . 2]" 1
782 1 72 MET HB2 1 73 ALA H 5.290 . 5.440 3.814 3.326 4.182 . 0 0 "[ . 1 . 2]" 1
783 1 72 MET HB3 1 73 ALA H 5.290 . 5.440 2.941 2.534 3.968 . 0 0 "[ . 1 . 2]" 1
784 1 72 MET ME 1 72 MET QG 3.160 . 3.310 2.427 2.199 2.548 . 0 0 "[ . 1 . 2]" 1
785 1 73 ALA H 1 73 ALA MB 2.870 . 3.020 2.245 2.217 2.278 . 0 0 "[ . 1 . 2]" 1
786 1 73 ALA H 1 74 ARG H 3.790 . 3.940 2.588 2.300 2.813 . 0 0 "[ . 1 . 2]" 1
787 1 73 ALA H 1 75 LYS H 5.210 . 5.360 4.267 3.950 4.468 . 0 0 "[ . 1 . 2]" 1
788 1 73 ALA HA 1 75 LYS H 4.940 . 5.090 3.939 3.517 4.439 . 0 0 "[ . 1 . 2]" 1
789 1 73 ALA HA 1 76 MET H 4.480 . 4.630 4.030 3.528 4.630 . 0 0 "[ . 1 . 2]" 1
790 1 73 ALA HA 1 76 MET QB 4.190 . 4.340 3.954 3.309 4.483 0.143 18 0 "[ . 1 . 2]" 1
791 1 73 ALA MB 1 74 ARG H 3.750 . 3.900 2.723 2.532 3.026 . 0 0 "[ . 1 . 2]" 1
792 1 73 ALA MB 1 76 MET H 5.500 . 5.650 4.696 4.311 5.075 . 0 0 "[ . 1 . 2]" 1
793 1 74 ARG H 1 74 ARG QB 3.270 . 3.420 2.222 2.049 2.439 . 0 0 "[ . 1 . 2]" 1
794 1 74 ARG H 1 74 ARG HG2 4.470 . 4.620 3.849 2.322 4.500 . 0 0 "[ . 1 . 2]" 1
795 1 74 ARG H 1 74 ARG QG 3.710 . 3.860 3.341 2.296 3.916 0.056 16 0 "[ . 1 . 2]" 1
796 1 74 ARG H 1 74 ARG HG3 4.470 . 4.620 3.874 2.510 4.366 . 0 0 "[ . 1 . 2]" 1
797 1 74 ARG H 1 75 LYS H 3.660 . 3.810 2.764 2.538 3.040 . 0 0 "[ . 1 . 2]" 1
798 1 74 ARG HA 1 74 ARG QG 3.740 . 3.890 2.538 2.257 3.316 . 0 0 "[ . 1 . 2]" 1
799 1 74 ARG QB 1 74 ARG QD 3.320 . 3.470 2.251 2.090 2.665 . 0 0 "[ . 1 . 2]" 1
800 1 74 ARG QB 1 75 LYS H 3.900 . 4.050 2.987 2.590 3.728 . 0 0 "[ . 1 . 2]" 1
801 1 75 LYS H 1 75 LYS HB2 3.920 . 4.070 2.729 2.120 3.530 . 0 0 "[ . 1 . 2]" 1
802 1 75 LYS H 1 75 LYS QB 3.280 . 3.430 2.231 2.095 2.312 . 0 0 "[ . 1 . 2]" 1
803 1 75 LYS H 1 75 LYS HB3 3.920 . 4.070 2.575 2.231 3.329 . 0 0 "[ . 1 . 2]" 1
804 1 75 LYS H 1 75 LYS HG2 5.270 . 5.420 4.353 3.853 4.652 . 0 0 "[ . 1 . 2]" 1
805 1 75 LYS H 1 75 LYS QG 4.470 . 4.620 3.855 3.510 4.091 . 0 0 "[ . 1 . 2]" 1
806 1 75 LYS H 1 75 LYS HG3 5.270 . 5.420 4.309 3.946 4.541 . 0 0 "[ . 1 . 2]" 1
807 1 75 LYS H 1 76 MET H 3.480 . 3.630 2.672 2.372 2.983 . 0 0 "[ . 1 . 2]" 1
808 1 75 LYS HA 1 75 LYS HD2 4.320 . 4.470 3.329 2.034 4.452 . 0 0 "[ . 1 . 2]" 1
809 1 75 LYS HA 1 75 LYS QD 3.550 . 3.700 2.965 2.007 3.810 0.110 10 0 "[ . 1 . 2]" 1
810 1 75 LYS HA 1 75 LYS HD3 4.320 . 4.470 3.654 3.009 4.484 0.014 15 0 "[ . 1 . 2]" 1
811 1 75 LYS HA 1 75 LYS HG2 4.220 . 4.370 3.408 2.252 3.738 . 0 0 "[ . 1 . 2]" 1
812 1 75 LYS HA 1 75 LYS QG 3.630 . 3.780 2.842 2.221 3.424 . 0 0 "[ . 1 . 2]" 1
813 1 75 LYS HA 1 75 LYS HG3 4.220 . 4.370 3.251 2.311 4.178 . 0 0 "[ . 1 . 2]" 1
814 1 75 LYS QB 1 76 MET H 4.320 . 4.470 3.352 2.768 3.982 . 0 0 "[ . 1 . 2]" 1
815 1 75 LYS HG2 1 76 MET H 5.500 . 5.650 4.811 3.860 5.582 . 0 0 "[ . 1 . 2]" 1
816 1 75 LYS HG3 1 76 MET H 5.500 . 5.650 4.873 4.210 5.510 . 0 0 "[ . 1 . 2]" 1
817 1 76 MET H 1 76 MET HB2 3.950 . 4.100 2.719 2.315 3.629 . 0 0 "[ . 1 . 2]" 1
818 1 76 MET H 1 76 MET QB 3.310 . 3.460 2.400 2.225 2.628 . 0 0 "[ . 1 . 2]" 1
819 1 76 MET H 1 76 MET HB3 3.950 . 4.100 2.958 2.423 3.741 . 0 0 "[ . 1 . 2]" 1
820 1 76 MET H 1 76 MET HG2 4.830 . 4.980 3.846 2.149 4.881 . 0 0 "[ . 1 . 2]" 1
821 1 76 MET H 1 76 MET QG 4.210 . 4.360 3.377 2.133 4.075 . 0 0 "[ . 1 . 2]" 1
822 1 76 MET H 1 76 MET HG3 4.830 . 4.980 4.002 2.201 4.410 . 0 0 "[ . 1 . 2]" 1
823 1 76 MET H 1 77 LYS H 4.800 . 4.950 4.220 2.184 4.674 . 0 0 "[ . 1 . 2]" 1
824 1 76 MET HA 1 76 MET HG2 4.200 . 4.350 3.392 2.424 3.713 . 0 0 "[ . 1 . 2]" 1
825 1 76 MET HA 1 76 MET QG 3.500 . 3.650 2.880 2.268 3.426 . 0 0 "[ . 1 . 2]" 1
826 1 76 MET HA 1 76 MET HG3 4.200 . 4.350 3.254 2.306 4.161 . 0 0 "[ . 1 . 2]" 1
827 1 76 MET HA 1 77 LYS H 3.560 . 3.710 2.457 2.130 3.471 . 0 0 "[ . 1 . 2]" 1
828 1 76 MET QG 1 77 LYS H 4.750 . 4.900 3.524 2.585 4.433 . 0 0 "[ . 1 . 2]" 1
829 1 77 LYS H 1 77 LYS QB 3.310 . 3.460 2.621 2.265 3.083 . 0 0 "[ . 1 . 2]" 1
830 1 77 LYS H 1 77 LYS HG2 5.190 . 5.340 4.616 4.431 5.106 . 0 0 "[ . 1 . 2]" 1
831 1 77 LYS H 1 77 LYS QG 4.440 . 4.590 4.114 3.964 4.463 . 0 0 "[ . 1 . 2]" 1
832 1 77 LYS H 1 77 LYS HG3 5.190 . 5.340 4.634 4.255 4.925 . 0 0 "[ . 1 . 2]" 1
833 1 77 LYS H 1 78 ASP H 4.560 . 4.710 3.979 2.774 4.589 . 0 0 "[ . 1 . 2]" 1
834 1 77 LYS HA 1 78 ASP H 3.280 . 3.430 2.317 2.060 2.824 . 0 0 "[ . 1 . 2]" 1
835 1 77 LYS QB 1 78 ASP H 4.070 . 4.220 3.657 2.893 3.968 . 0 0 "[ . 1 . 2]" 1
836 1 78 ASP H 1 78 ASP HB2 3.870 . 4.020 3.135 2.163 3.726 . 0 0 "[ . 1 . 2]" 1
837 1 78 ASP H 1 78 ASP HB3 3.870 . 4.020 2.957 2.495 3.931 . 0 0 "[ . 1 . 2]" 1
838 1 78 ASP H 1 79 THR H 4.750 . 4.900 4.181 2.252 4.671 . 0 0 "[ . 1 . 2]" 1
839 1 78 ASP HA 1 79 THR H 3.500 . 3.650 2.540 2.214 3.064 . 0 0 "[ . 1 . 2]" 1
840 1 78 ASP QB 1 79 THR H 4.340 . 4.490 2.951 1.902 3.983 . 0 0 "[ . 1 . 2]" 1
841 1 79 THR H 1 79 THR HB 4.030 . 4.180 3.665 3.474 3.995 . 0 0 "[ . 1 . 2]" 1
842 1 79 THR H 1 79 THR MG 4.340 . 4.490 2.842 2.482 3.970 . 0 0 "[ . 1 . 2]" 1
843 1 79 THR HA 1 79 THR MG 3.090 . 3.240 2.510 2.299 3.173 . 0 0 "[ . 1 . 2]" 1
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