NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
457570 |
2kut   |
16746 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kut
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 1000
_Distance_constraint_stats_list.Viol_count 957
_Distance_constraint_stats_list.Viol_total 1107.128
_Distance_constraint_stats_list.Viol_max 0.663
_Distance_constraint_stats_list.Viol_rms 0.0462
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0111
_Distance_constraint_stats_list.Viol_average_violations_only 0.1157
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ASP 0.000 0.000 . 0 "[ . 1]"
1 3 LEU 1.865 0.453 5 0 "[ . 1]"
1 4 PRO 5.759 0.453 5 0 "[ . 1]"
1 5 ILE 4.649 0.430 8 0 "[ . 1]"
1 6 THR 2.838 0.436 8 0 "[ . 1]"
1 7 LEU 2.508 0.288 4 0 "[ . 1]"
1 8 SER 0.956 0.167 5 0 "[ . 1]"
1 9 LYS 1.350 0.246 10 0 "[ . 1]"
1 10 GLU 0.851 0.204 2 0 "[ . 1]"
1 11 THR 0.906 0.204 2 0 "[ . 1]"
1 12 PRO 0.589 0.349 7 0 "[ . 1]"
1 13 PHE 0.735 0.119 10 0 "[ . 1]"
1 14 GLU 0.035 0.035 3 0 "[ . 1]"
1 15 GLY 0.598 0.397 1 0 "[ . 1]"
1 16 GLU 2.975 0.261 10 0 "[ . 1]"
1 17 GLU 2.859 0.157 2 0 "[ . 1]"
1 18 ILE 4.937 0.177 7 0 "[ . 1]"
1 19 THR 2.622 0.462 6 0 "[ . 1]"
1 20 VAL 2.502 0.363 9 0 "[ . 1]"
1 21 SER 3.126 0.292 8 0 "[ . 1]"
1 22 ALA 0.894 0.160 9 0 "[ . 1]"
1 23 ARG 3.276 0.436 8 0 "[ . 1]"
1 24 VAL 4.959 0.515 4 1 "[ +. 1]"
1 25 THR 2.078 0.374 5 0 "[ . 1]"
1 26 ASN 1.578 0.330 8 0 "[ . 1]"
1 27 ARG 2.562 0.374 5 0 "[ . 1]"
1 28 GLY 0.917 0.663 5 1 "[ + 1]"
1 29 ALA 1.190 0.309 6 0 "[ . 1]"
1 30 ALA 1.852 0.663 5 1 "[ + 1]"
1 31 GLU 1.465 0.518 9 1 "[ . +1]"
1 32 ALA 3.093 0.541 10 1 "[ . +]"
1 33 HIS 1.439 0.318 7 0 "[ . 1]"
1 34 ASN 1.374 0.431 6 0 "[ . 1]"
1 35 VAL 3.490 0.541 10 1 "[ . +]"
1 36 PRO 1.993 0.306 5 0 "[ . 1]"
1 37 VAL 5.416 0.313 4 0 "[ . 1]"
1 38 ALA 3.475 0.204 7 0 "[ . 1]"
1 39 VAL 4.616 0.482 3 0 "[ . 1]"
1 40 TYR 4.838 0.246 7 0 "[ . 1]"
1 41 LEU 2.542 0.228 7 0 "[ . 1]"
1 42 GLY 0.441 0.140 5 0 "[ . 1]"
1 43 ASN 0.362 0.156 2 0 "[ . 1]"
1 44 PRO 2.066 0.270 2 0 "[ . 1]"
1 45 ALA 0.162 0.057 2 0 "[ . 1]"
1 46 GLN 0.645 0.156 2 0 "[ . 1]"
1 47 GLY 0.000 0.000 . 0 "[ . 1]"
1 48 GLY 1.098 0.270 2 0 "[ . 1]"
1 49 VAL 0.313 0.230 9 0 "[ . 1]"
1 50 GLU 1.195 0.238 6 0 "[ . 1]"
1 51 ILE 2.858 0.378 6 0 "[ . 1]"
1 52 GLY 3.723 0.482 3 0 "[ . 1]"
1 53 ARG 1.670 0.157 8 0 "[ . 1]"
1 54 ASP 0.600 0.098 4 0 "[ . 1]"
1 55 THR 0.962 0.239 2 0 "[ . 1]"
1 56 ILE 6.759 0.456 5 0 "[ . 1]"
1 57 SER 0.000 0.000 . 0 "[ . 1]"
1 58 ARG 2.775 0.402 7 0 "[ . 1]"
1 59 ILE 5.093 0.417 8 0 "[ . 1]"
1 60 PRO 0.859 0.354 7 0 "[ . 1]"
1 61 VAL 2.470 0.410 6 0 "[ . 1]"
1 62 GLY 1.577 0.290 6 0 "[ . 1]"
1 63 GLY 0.484 0.226 8 0 "[ . 1]"
1 64 THR 1.604 0.417 8 0 "[ . 1]"
1 65 GLY 5.261 0.481 10 0 "[ . 1]"
1 66 LEU 6.073 0.515 4 1 "[ +. 1]"
1 67 ALA 1.164 0.222 3 0 "[ . 1]"
1 68 ARG 1.644 0.462 6 0 "[ . 1]"
1 69 VAL 2.467 0.363 9 0 "[ . 1]"
1 70 GLN 0.370 0.178 9 0 "[ . 1]"
1 71 TRP 5.147 0.378 6 0 "[ . 1]"
1 72 LYS 0.574 0.138 3 0 "[ . 1]"
1 73 ALA 2.158 0.397 1 0 "[ . 1]"
1 74 THR 1.136 0.136 5 0 "[ . 1]"
1 75 ARG 0.226 0.172 1 0 "[ . 1]"
1 76 LYS 2.245 0.478 8 0 "[ . 1]"
1 77 LEU 2.016 0.478 8 0 "[ . 1]"
1 78 ALA 0.315 0.160 10 0 "[ . 1]"
1 79 GLY 0.000 0.000 . 0 "[ . 1]"
1 80 ARG 0.343 0.167 3 0 "[ . 1]"
1 81 ALA 0.343 0.167 3 0 "[ . 1]"
1 82 ALA 0.016 0.016 5 0 "[ . 1]"
1 83 ASN 0.048 0.016 10 0 "[ . 1]"
1 84 PRO 0.262 0.075 1 0 "[ . 1]"
1 85 GLY 0.230 0.075 1 0 "[ . 1]"
1 86 VAL 1.822 0.247 7 0 "[ . 1]"
1 87 PRO 1.266 0.228 7 0 "[ . 1]"
1 88 VAL 0.889 0.261 5 0 "[ . 1]"
1 89 TYR 1.487 0.179 7 0 "[ . 1]"
1 90 ALA 1.156 0.169 9 0 "[ . 1]"
1 91 VAL 3.395 0.212 9 0 "[ . 1]"
1 92 VAL 1.310 0.264 8 0 "[ . 1]"
1 93 ASP 2.039 0.306 5 0 "[ . 1]"
1 94 PRO 0.035 0.015 7 0 "[ . 1]"
1 95 ASP 0.556 0.155 8 0 "[ . 1]"
1 96 ASN 2.611 0.315 9 0 "[ . 1]"
1 97 ARG 3.316 0.323 2 0 "[ . 1]"
1 98 VAL 2.220 0.276 7 0 "[ . 1]"
1 99 ALA 1.655 0.344 6 0 "[ . 1]"
1 100 GLU 0.619 0.191 2 0 "[ . 1]"
1 101 SER 0.144 0.144 5 0 "[ . 1]"
1 102 ASP 1.130 0.344 6 0 "[ . 1]"
1 103 LYS 0.847 0.424 6 0 "[ . 1]"
1 104 ALA 0.000 0.000 . 0 "[ . 1]"
1 105 ASN 0.302 0.187 5 0 "[ . 1]"
1 106 ASN 1.181 0.264 8 0 "[ . 1]"
1 107 VAL 1.914 0.187 5 0 "[ . 1]"
1 108 PHE 2.123 0.323 7 0 "[ . 1]"
1 109 SER 1.010 0.191 5 0 "[ . 1]"
1 110 ARG 4.339 0.328 5 0 "[ . 1]"
1 111 ILE 4.974 0.328 5 0 "[ . 1]"
1 112 VAL 2.654 0.316 6 0 "[ . 1]"
1 113 LYS 0.490 0.287 9 0 "[ . 1]"
1 114 VAL 0.780 0.349 7 0 "[ . 1]"
1 115 LEU 0.357 0.078 6 0 "[ . 1]"
1 116 GLU 0.176 0.078 6 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ASP H 1 3 LEU H 4.300 . 4.800 3.997 2.589 4.649 . 0 0 "[ . 1]" 1
2 1 2 ASP HA 1 3 LEU H 3.470 . 3.470 2.441 2.165 2.993 . 0 0 "[ . 1]" 1
3 1 2 ASP QB 1 3 LEU H 4.810 . 4.810 3.270 2.078 4.075 . 0 0 "[ . 1]" 1
4 1 3 LEU H 1 3 LEU QB 3.260 . 3.260 2.297 2.193 2.512 . 0 0 "[ . 1]" 1
5 1 3 LEU H 1 3 LEU QD 4.580 . 4.580 2.340 1.941 3.098 . 0 0 "[ . 1]" 1
6 1 3 LEU H 1 4 PRO HD2 5.780 . 5.780 5.125 4.894 5.378 . 0 0 "[ . 1]" 1
7 1 3 LEU H 1 4 PRO HD3 5.300 . 5.300 5.025 4.845 5.218 . 0 0 "[ . 1]" 1
8 1 3 LEU HA 1 3 LEU QD 3.290 . 3.290 2.377 2.032 3.046 . 0 0 "[ . 1]" 1
9 1 3 LEU HA 1 3 LEU HG 3.780 . 3.780 2.764 2.445 3.698 . 0 0 "[ . 1]" 1
10 1 3 LEU HA 1 4 PRO HD2 3.710 . 3.710 2.715 2.438 3.083 . 0 0 "[ . 1]" 1
11 1 3 LEU HA 1 4 PRO HD3 3.510 . 3.510 2.311 2.126 2.491 . 0 0 "[ . 1]" 1
12 1 3 LEU HA 1 4 PRO QG 4.590 . 4.590 4.063 3.947 4.145 . 0 0 "[ . 1]" 1
13 1 3 LEU QB 1 5 ILE H 3.300 . 3.300 2.614 2.440 3.070 . 0 0 "[ . 1]" 1
14 1 3 LEU HB2 1 4 PRO HD3 4.220 . 5.220 4.782 4.525 5.005 . 0 0 "[ . 1]" 1
15 1 3 LEU HB3 1 4 PRO HD3 4.220 . 4.220 3.672 3.339 3.924 . 0 0 "[ . 1]" 1
16 1 3 LEU QD 1 4 PRO HD2 4.490 . 4.490 3.184 2.312 3.782 . 0 0 "[ . 1]" 1
17 1 3 LEU QD 1 4 PRO HD3 4.030 . 4.530 3.648 2.856 4.379 . 0 0 "[ . 1]" 1
18 1 3 LEU QD 1 4 PRO QG 5.570 . 5.570 4.408 3.697 4.896 . 0 0 "[ . 1]" 1
19 1 3 LEU QD 1 5 ILE H 5.920 . 5.920 4.062 3.798 4.400 . 0 0 "[ . 1]" 1
20 1 3 LEU HG 1 4 PRO HD2 3.910 . 4.410 3.812 2.566 4.786 0.376 10 0 "[ . 1]" 1
21 1 3 LEU HG 1 4 PRO HD3 3.960 . 4.960 4.289 3.224 5.413 0.453 5 0 "[ . 1]" 1
22 1 3 LEU HG 1 5 ILE H 5.960 . 5.960 5.108 4.482 5.877 . 0 0 "[ . 1]" 1
23 1 4 PRO HA 1 23 ARG QB 3.410 . 3.910 2.836 2.408 4.048 0.138 8 0 "[ . 1]" 1
24 1 4 PRO HA 1 23 ARG QD 4.020 . 4.220 2.572 2.121 4.128 . 0 0 "[ . 1]" 1
25 1 4 PRO HB2 1 108 PHE QB 4.350 . 4.350 2.519 2.412 2.681 . 0 0 "[ . 1]" 1
26 1 4 PRO HB2 1 108 PHE QD 4.260 . 4.260 3.332 3.141 3.587 . 0 0 "[ . 1]" 1
27 1 4 PRO HB2 1 109 SER H 5.340 . 5.340 5.353 4.962 5.531 0.191 5 0 "[ . 1]" 1
28 1 4 PRO QD 1 109 SER H 6.000 . 6.000 5.370 5.106 5.542 . 0 0 "[ . 1]" 1
29 1 4 PRO HD2 1 5 ILE H 4.730 . 4.730 2.768 2.548 3.025 . 0 0 "[ . 1]" 1
30 1 4 PRO HD3 1 5 ILE H 4.100 . 4.100 3.923 3.769 4.070 . 0 0 "[ . 1]" 1
31 1 4 PRO HD3 1 5 ILE MD 4.430 . 5.930 6.106 5.934 6.360 0.430 8 0 "[ . 1]" 1
32 1 4 PRO HD3 1 108 PHE QB 4.800 . 5.300 5.110 4.849 5.357 0.057 3 0 "[ . 1]" 1
33 1 4 PRO HD3 1 108 PHE QD 4.120 . 5.120 4.783 4.548 5.006 . 0 0 "[ . 1]" 1
34 1 4 PRO QG 1 5 ILE H 3.770 . 3.770 3.197 2.033 4.101 0.331 3 0 "[ . 1]" 1
35 1 4 PRO QG 1 108 PHE QB 4.570 . 4.570 2.817 2.292 3.310 . 0 0 "[ . 1]" 1
36 1 5 ILE H 1 5 ILE HB 4.070 . 4.070 2.636 2.538 2.709 . 0 0 "[ . 1]" 1
37 1 5 ILE H 1 5 ILE MD 3.940 . 3.940 3.904 3.777 4.005 0.065 6 0 "[ . 1]" 1
38 1 5 ILE H 1 5 ILE MG 4.190 . 4.190 3.901 3.856 3.937 . 0 0 "[ . 1]" 1
39 1 5 ILE H 1 6 THR H 4.660 . 4.660 4.403 4.361 4.491 . 0 0 "[ . 1]" 1
40 1 5 ILE H 1 23 ARG QG 5.500 . 5.500 5.126 4.812 5.428 . 0 0 "[ . 1]" 1
41 1 5 ILE H 1 110 ARG QD 4.920 . 4.920 4.310 3.739 4.841 . 0 0 "[ . 1]" 1
42 1 5 ILE HA 1 5 ILE MD 3.680 . 4.180 3.719 2.242 3.898 . 0 0 "[ . 1]" 1
43 1 5 ILE HA 1 5 ILE MG 3.670 . 3.670 2.382 2.368 2.395 . 0 0 "[ . 1]" 1
44 1 5 ILE HA 1 6 THR H 3.030 . 3.030 2.144 2.137 2.156 . 0 0 "[ . 1]" 1
45 1 5 ILE HA 1 23 ARG QG 4.260 . 4.260 4.000 3.635 4.398 0.138 8 0 "[ . 1]" 1
46 1 5 ILE HB 1 109 SER HA 4.730 . 5.030 4.745 4.437 4.951 . 0 0 "[ . 1]" 1
47 1 5 ILE MD 1 6 THR H 4.110 . 5.110 5.004 3.718 5.199 0.089 1 0 "[ . 1]" 1
48 1 5 ILE MD 1 89 TYR HA 4.420 . 4.420 3.880 3.540 4.435 0.015 8 0 "[ . 1]" 1
49 1 5 ILE MD 1 90 ALA H 3.800 . 4.300 4.044 3.814 4.396 0.096 8 0 "[ . 1]" 1
50 1 5 ILE MD 1 90 ALA HA 3.950 . 5.450 5.516 5.442 5.619 0.169 9 0 "[ . 1]" 1
51 1 5 ILE MD 1 108 PHE HB2 4.010 . 4.010 2.422 2.362 2.481 . 0 0 "[ . 1]" 1
52 1 5 ILE MD 1 108 PHE HB3 4.010 . 4.010 2.647 2.511 2.733 . 0 0 "[ . 1]" 1
53 1 5 ILE MD 1 108 PHE QD 4.630 . 4.630 4.113 4.034 4.193 . 0 0 "[ . 1]" 1
54 1 5 ILE MD 1 109 SER H 4.510 . 4.510 3.131 2.780 4.270 . 0 0 "[ . 1]" 1
55 1 5 ILE MD 1 109 SER HA 4.270 . 4.270 2.348 2.168 3.229 . 0 0 "[ . 1]" 1
56 1 5 ILE QG 1 22 ALA HA 4.460 . 4.460 3.116 2.632 4.570 0.110 8 0 "[ . 1]" 1
57 1 5 ILE MG 1 6 THR H 3.640 . 3.640 2.647 2.537 2.723 . 0 0 "[ . 1]" 1
58 1 5 ILE MG 1 6 THR HA 4.270 . 4.270 3.605 3.443 3.663 . 0 0 "[ . 1]" 1
59 1 5 ILE MG 1 7 LEU H 4.640 . 4.640 4.073 3.907 4.370 . 0 0 "[ . 1]" 1
60 1 5 ILE MG 1 7 LEU QD 3.830 . 3.830 2.431 2.211 2.872 . 0 0 "[ . 1]" 1
61 1 5 ILE MG 1 21 SER QB 5.810 . 5.810 4.806 4.377 5.277 . 0 0 "[ . 1]" 1
62 1 5 ILE MG 1 110 ARG QD 4.000 . 4.000 3.391 2.545 3.894 . 0 0 "[ . 1]" 1
63 1 6 THR H 1 6 THR MG 3.730 . 4.230 3.185 2.185 3.992 . 0 0 "[ . 1]" 1
64 1 6 THR H 1 7 LEU H 4.590 . 4.590 4.241 4.207 4.313 . 0 0 "[ . 1]" 1
65 1 6 THR H 1 21 SER HA 5.450 . 5.450 5.494 5.156 5.644 0.194 8 0 "[ . 1]" 1
66 1 6 THR H 1 21 SER HB2 5.010 . 5.810 4.473 3.533 5.282 . 0 0 "[ . 1]" 1
67 1 6 THR H 1 21 SER HB3 5.010 . 5.010 4.666 3.541 5.039 0.029 5 0 "[ . 1]" 1
68 1 6 THR H 1 22 ALA HA 4.630 . 4.630 4.366 3.624 4.705 0.075 10 0 "[ . 1]" 1
69 1 6 THR H 1 23 ARG QG 4.370 . 5.370 4.649 4.149 5.806 0.436 8 0 "[ . 1]" 1
70 1 6 THR HA 1 6 THR MG 3.220 . 3.220 2.549 2.337 3.237 0.017 7 0 "[ . 1]" 1
71 1 6 THR HA 1 7 LEU H 3.160 . 3.160 2.132 2.115 2.175 . 0 0 "[ . 1]" 1
72 1 6 THR HA 1 7 LEU QB 5.460 . 5.460 4.437 4.193 4.539 . 0 0 "[ . 1]" 1
73 1 6 THR HA 1 110 ARG QD 5.320 . 5.320 4.158 3.829 4.579 . 0 0 "[ . 1]" 1
74 1 6 THR HB 1 7 LEU H 3.480 . 4.280 3.858 3.113 4.248 . 0 0 "[ . 1]" 1
75 1 6 THR HB 1 7 LEU QB 5.430 . 5.930 5.879 5.541 6.204 0.274 7 0 "[ . 1]" 1
76 1 6 THR MG 1 7 LEU H 3.660 . 4.660 3.614 2.858 4.189 . 0 0 "[ . 1]" 1
77 1 7 LEU H 1 7 LEU QB 3.270 . 3.270 2.656 2.327 3.212 . 0 0 "[ . 1]" 1
78 1 7 LEU H 1 7 LEU QD 3.920 . 3.920 2.708 1.973 3.295 . 0 0 "[ . 1]" 1
79 1 7 LEU H 1 7 LEU HG 4.720 . 4.720 2.657 2.221 3.183 . 0 0 "[ . 1]" 1
80 1 7 LEU HA 1 7 LEU QD 3.390 . 3.390 2.728 2.190 3.434 0.044 7 0 "[ . 1]" 1
81 1 7 LEU HA 1 8 SER H 3.220 . 3.220 2.246 2.198 2.341 . 0 0 "[ . 1]" 1
82 1 7 LEU HA 1 18 ILE MD 4.500 . 5.500 5.059 4.566 5.677 0.177 7 0 "[ . 1]" 1
83 1 7 LEU HA 1 20 VAL HA 3.960 . 3.960 3.522 3.015 3.743 . 0 0 "[ . 1]" 1
84 1 7 LEU HA 1 21 SER H 4.100 . 4.100 3.928 3.394 4.215 0.115 1 0 "[ . 1]" 1
85 1 7 LEU QB 1 8 SER H 3.630 . 3.630 2.782 2.437 2.973 . 0 0 "[ . 1]" 1
86 1 7 LEU QB 1 18 ILE MD 3.760 . 3.760 3.244 2.937 3.614 . 0 0 "[ . 1]" 1
87 1 7 LEU QB 1 20 VAL HA 5.650 . 5.650 4.114 2.440 4.804 . 0 0 "[ . 1]" 1
88 1 7 LEU QB 1 21 SER H 5.170 . 5.670 5.060 3.152 5.698 0.028 1 0 "[ . 1]" 1
89 1 7 LEU QD 1 8 SER H 3.890 . 4.890 3.783 3.406 4.124 . 0 0 "[ . 1]" 1
90 1 7 LEU QD 1 18 ILE HB 4.660 . 4.660 3.274 2.925 3.628 . 0 0 "[ . 1]" 1
91 1 7 LEU QD 1 20 VAL HA 3.470 . 3.470 2.845 2.124 3.758 0.288 4 0 "[ . 1]" 1
92 1 7 LEU QD 1 20 VAL QG 3.940 . 3.940 2.378 2.059 3.161 . 0 0 "[ . 1]" 1
93 1 7 LEU QD 1 21 SER H 3.880 . 4.380 3.607 2.723 4.530 0.150 2 0 "[ . 1]" 1
94 1 7 LEU QD 1 110 ARG QD 5.060 . 5.060 2.966 2.259 4.185 . 0 0 "[ . 1]" 1
95 1 7 LEU HG 1 20 VAL HA 4.090 . 5.590 4.460 3.248 5.594 0.004 7 0 "[ . 1]" 1
96 1 7 LEU HG 1 110 ARG QD 4.230 . 4.730 4.203 2.843 4.767 0.037 6 0 "[ . 1]" 1
97 1 8 SER H 1 18 ILE HA 5.390 . 5.390 4.140 3.734 4.524 . 0 0 "[ . 1]" 1
98 1 8 SER H 1 18 ILE HB 4.420 . 4.420 3.567 3.128 3.850 . 0 0 "[ . 1]" 1
99 1 8 SER H 1 18 ILE MD 4.130 . 5.130 4.981 4.555 5.256 0.126 2 0 "[ . 1]" 1
100 1 8 SER H 1 19 THR H 3.990 . 3.990 2.585 2.335 2.883 . 0 0 "[ . 1]" 1
101 1 8 SER H 1 19 THR HB 4.220 . 4.220 2.933 2.495 3.205 . 0 0 "[ . 1]" 1
102 1 8 SER H 1 20 VAL HA 4.290 . 4.790 4.776 4.321 4.957 0.167 5 0 "[ . 1]" 1
103 1 8 SER H 1 21 SER H 5.070 . 5.970 5.605 5.248 5.846 . 0 0 "[ . 1]" 1
104 1 8 SER HA 1 19 THR H 5.560 . 5.960 4.688 4.462 4.887 . 0 0 "[ . 1]" 1
105 1 8 SER HA 1 19 THR HB 5.150 . 5.150 4.537 4.389 4.626 . 0 0 "[ . 1]" 1
106 1 9 LYS HA 1 10 GLU H 3.060 . 3.060 2.661 2.547 2.705 . 0 0 "[ . 1]" 1
107 1 9 LYS HA 1 11 THR H 4.680 . 4.680 3.408 3.134 3.636 . 0 0 "[ . 1]" 1
108 1 9 LYS QB 1 10 GLU H 3.870 . 4.370 4.037 3.978 4.073 . 0 0 "[ . 1]" 1
109 1 9 LYS QB 1 11 THR H 4.520 . 5.020 4.589 4.120 5.054 0.034 6 0 "[ . 1]" 1
110 1 9 LYS QB 1 18 ILE HA 4.390 . 5.390 5.353 5.154 5.461 0.071 4 0 "[ . 1]" 1
111 1 9 LYS QB 1 18 ILE HB 4.320 . 4.320 4.170 4.028 4.364 0.044 5 0 "[ . 1]" 1
112 1 9 LYS QB 1 18 ILE MG 3.020 . 3.520 3.151 2.620 3.327 . 0 0 "[ . 1]" 1
113 1 9 LYS QB 1 19 THR H 4.650 . 5.650 5.747 5.577 5.896 0.246 10 0 "[ . 1]" 1
114 1 10 GLU H 1 10 GLU QB 3.070 . 3.070 2.404 2.228 2.628 . 0 0 "[ . 1]" 1
115 1 10 GLU H 1 10 GLU QG 3.630 . 4.130 2.761 1.986 4.093 . 0 0 "[ . 1]" 1
116 1 10 GLU H 1 11 THR H 3.410 . 3.410 2.745 2.679 2.788 . 0 0 "[ . 1]" 1
117 1 10 GLU H 1 11 THR HA 5.540 . 5.540 5.401 5.373 5.424 . 0 0 "[ . 1]" 1
118 1 10 GLU QB 1 11 THR H 3.810 . 3.810 2.703 2.469 3.571 . 0 0 "[ . 1]" 1
119 1 10 GLU QG 1 11 THR MG 3.660 . 4.160 3.713 2.379 4.364 0.204 2 0 "[ . 1]" 1
120 1 11 THR H 1 11 THR MG 3.900 . 3.900 2.567 2.060 2.809 . 0 0 "[ . 1]" 1
121 1 11 THR H 1 12 PRO QD 4.660 . 4.660 3.867 3.399 4.419 . 0 0 "[ . 1]" 1
122 1 11 THR HA 1 11 THR MG 3.440 . 3.440 2.570 2.386 3.239 . 0 0 "[ . 1]" 1
123 1 11 THR HA 1 12 PRO QD 3.950 . 3.950 2.215 2.161 2.265 . 0 0 "[ . 1]" 1
124 1 12 PRO HA 1 13 PHE H 3.190 . 3.190 2.204 2.181 2.221 . 0 0 "[ . 1]" 1
125 1 12 PRO HA 1 13 PHE QB 5.060 . 5.060 4.238 4.157 4.424 . 0 0 "[ . 1]" 1
126 1 12 PRO HA 1 114 VAL HB 3.360 . 5.360 4.859 3.353 5.709 0.349 7 0 "[ . 1]" 1
127 1 12 PRO HA 1 114 VAL QG 4.220 . 4.220 3.259 2.622 4.342 0.122 1 0 "[ . 1]" 1
128 1 12 PRO QB 1 13 PHE H 4.070 . 4.070 3.609 3.482 3.737 . 0 0 "[ . 1]" 1
129 1 12 PRO QB 1 114 VAL HA 4.380 . 4.380 3.069 2.450 3.583 . 0 0 "[ . 1]" 1
130 1 13 PHE H 1 13 PHE QB 3.350 . 3.350 2.916 2.872 2.965 . 0 0 "[ . 1]" 1
131 1 13 PHE H 1 13 PHE QD 4.480 . 4.480 4.494 4.030 4.599 0.119 10 0 "[ . 1]" 1
132 1 13 PHE H 1 14 GLU H 4.430 . 4.430 3.836 3.595 4.008 . 0 0 "[ . 1]" 1
133 1 13 PHE H 1 114 VAL HB 4.340 . 5.340 4.374 2.717 5.053 . 0 0 "[ . 1]" 1
134 1 13 PHE H 1 114 VAL QG 4.560 . 4.560 2.961 2.260 4.126 . 0 0 "[ . 1]" 1
135 1 13 PHE HA 1 14 GLU H 3.190 . 3.190 2.167 2.141 2.204 . 0 0 "[ . 1]" 1
136 1 13 PHE HA 1 14 GLU QB 4.600 . 4.600 4.240 4.067 4.512 . 0 0 "[ . 1]" 1
137 1 13 PHE HA 1 115 LEU H 5.050 . 5.050 4.793 4.205 5.119 0.069 8 0 "[ . 1]" 1
138 1 13 PHE QB 1 14 GLU H 4.090 . 4.090 3.877 3.616 4.008 . 0 0 "[ . 1]" 1
139 1 13 PHE QB 1 16 GLU H 5.130 . 5.130 4.019 3.841 4.556 . 0 0 "[ . 1]" 1
140 1 13 PHE QB 1 16 GLU QB 4.430 . 4.430 2.594 2.394 3.689 . 0 0 "[ . 1]" 1
141 1 14 GLU H 1 14 GLU QB 3.260 . 3.260 2.333 2.192 2.503 . 0 0 "[ . 1]" 1
142 1 14 GLU H 1 14 GLU QG 4.170 . 4.170 3.361 2.024 4.103 . 0 0 "[ . 1]" 1
143 1 14 GLU H 1 15 GLY H 4.980 . 4.980 4.661 4.649 4.675 . 0 0 "[ . 1]" 1
144 1 14 GLU H 1 114 VAL QG 4.160 . 4.160 2.939 2.185 3.997 . 0 0 "[ . 1]" 1
145 1 14 GLU H 1 115 LEU H 4.220 . 5.720 5.202 4.599 5.755 0.035 3 0 "[ . 1]" 1
146 1 14 GLU HA 1 15 GLY H 3.210 . 3.210 2.264 2.236 2.307 . 0 0 "[ . 1]" 1
147 1 14 GLU HA 1 16 GLU H 4.170 . 4.170 3.369 3.260 3.472 . 0 0 "[ . 1]" 1
148 1 14 GLU HA 1 114 VAL QG 3.970 . 3.970 2.747 2.244 3.798 . 0 0 "[ . 1]" 1
149 1 14 GLU QB 1 15 GLY H 4.470 . 4.970 3.269 2.787 3.615 . 0 0 "[ . 1]" 1
150 1 14 GLU QG 1 114 VAL QG 4.880 . 4.880 3.138 2.333 3.894 . 0 0 "[ . 1]" 1
151 1 15 GLY H 1 16 GLU H 3.650 . 3.650 2.810 2.356 2.983 . 0 0 "[ . 1]" 1
152 1 15 GLY H 1 73 ALA H 4.210 . 5.010 4.483 4.185 4.825 . 0 0 "[ . 1]" 1
153 1 15 GLY H 1 73 ALA MB 4.070 . 4.070 2.093 1.839 2.563 . 0 0 "[ . 1]" 1
154 1 15 GLY H 1 114 VAL QG 5.540 . 5.540 4.365 3.780 5.310 . 0 0 "[ . 1]" 1
155 1 15 GLY HA3 1 72 LYS QG 4.670 . 5.170 5.065 4.668 5.203 0.033 5 0 "[ . 1]" 1
156 1 15 GLY HA3 1 73 ALA H 5.060 . 5.560 5.497 5.188 5.957 0.397 1 0 "[ . 1]" 1
157 1 16 GLU H 1 16 GLU QB 3.290 . 3.290 2.310 2.270 2.443 . 0 0 "[ . 1]" 1
158 1 16 GLU H 1 17 GLU H 4.750 . 4.750 4.602 4.535 4.636 . 0 0 "[ . 1]" 1
159 1 16 GLU H 1 73 ALA H 4.440 . 4.940 5.017 4.215 5.201 0.261 10 0 "[ . 1]" 1
160 1 16 GLU HA 1 17 GLU H 2.890 . 2.890 2.204 2.131 2.247 . 0 0 "[ . 1]" 1
161 1 16 GLU HA 1 17 GLU QG 5.120 . 5.620 5.768 5.755 5.777 0.157 2 0 "[ . 1]" 1
162 1 16 GLU HB2 1 17 GLU H 4.070 . 5.070 4.166 4.073 4.275 . 0 0 "[ . 1]" 1
163 1 16 GLU HB3 1 17 GLU H 4.070 . 4.570 3.914 3.361 4.090 . 0 0 "[ . 1]" 1
164 1 17 GLU H 1 17 GLU QB 3.110 . 3.110 2.276 2.257 2.295 . 0 0 "[ . 1]" 1
165 1 17 GLU H 1 17 GLU QG 4.170 . 4.170 3.993 3.982 4.004 . 0 0 "[ . 1]" 1
166 1 17 GLU H 1 18 ILE H 4.490 . 4.490 4.575 4.548 4.593 0.103 3 0 "[ . 1]" 1
167 1 17 GLU H 1 73 ALA H 5.000 . 5.600 5.063 4.781 5.374 . 0 0 "[ . 1]" 1
168 1 17 GLU HA 1 18 ILE H 3.180 . 3.180 2.181 2.164 2.200 . 0 0 "[ . 1]" 1
169 1 17 GLU HA 1 72 LYS HA 3.460 . 3.460 2.566 2.428 2.772 . 0 0 "[ . 1]" 1
170 1 17 GLU HA 1 73 ALA H 3.850 . 3.850 3.200 2.806 3.645 . 0 0 "[ . 1]" 1
171 1 17 GLU QG 1 18 ILE H 3.810 . 3.810 2.573 2.363 2.700 . 0 0 "[ . 1]" 1
172 1 17 GLU QG 1 71 TRP H 3.570 . 3.570 2.967 2.795 3.261 . 0 0 "[ . 1]" 1
173 1 17 GLU QG 1 72 LYS H 4.070 . 4.070 4.109 3.984 4.208 0.138 3 0 "[ . 1]" 1
174 1 17 GLU QG 1 72 LYS HA 4.360 . 4.360 2.972 2.776 3.249 . 0 0 "[ . 1]" 1
175 1 18 ILE H 1 18 ILE MD 4.290 . 4.290 3.872 3.819 3.978 . 0 0 "[ . 1]" 1
176 1 18 ILE H 1 18 ILE MG 3.950 . 3.950 2.938 2.861 3.070 . 0 0 "[ . 1]" 1
177 1 18 ILE H 1 19 THR H 5.090 . 5.090 4.461 4.420 4.485 . 0 0 "[ . 1]" 1
178 1 18 ILE H 1 72 LYS HA 4.060 . 4.060 3.766 3.437 4.016 . 0 0 "[ . 1]" 1
179 1 18 ILE H 1 73 ALA H 4.630 . 4.630 4.261 3.752 4.717 0.087 10 0 "[ . 1]" 1
180 1 18 ILE HA 1 18 ILE MD 4.060 . 4.060 4.196 4.189 4.206 0.146 6 0 "[ . 1]" 1
181 1 18 ILE HA 1 18 ILE MG 3.440 . 3.440 2.339 2.325 2.353 . 0 0 "[ . 1]" 1
182 1 18 ILE HA 1 19 THR H 3.420 . 3.420 2.199 2.184 2.210 . 0 0 "[ . 1]" 1
183 1 18 ILE HB 1 18 ILE MD 3.490 . 3.490 2.359 2.346 2.375 . 0 0 "[ . 1]" 1
184 1 18 ILE HB 1 19 THR H 3.580 . 3.580 2.892 2.849 2.935 . 0 0 "[ . 1]" 1
185 1 18 ILE HB 1 19 THR HA 4.770 . 4.770 4.835 4.798 4.900 0.130 6 0 "[ . 1]" 1
186 1 18 ILE HB 1 71 TRP H 5.670 . 5.670 5.641 5.439 5.778 0.108 9 0 "[ . 1]" 1
187 1 18 ILE MD 1 19 THR H 4.160 . 4.660 4.689 4.618 4.786 0.126 6 0 "[ . 1]" 1
188 1 18 ILE MD 1 20 VAL HA 4.540 . 5.540 4.860 4.568 5.219 . 0 0 "[ . 1]" 1
189 1 18 ILE MD 1 71 TRP H 4.800 . 5.300 5.136 4.854 5.322 0.022 4 0 "[ . 1]" 1
190 1 18 ILE MD 1 71 TRP HB2 4.250 . 5.250 5.240 5.133 5.384 0.134 4 0 "[ . 1]" 1
191 1 18 ILE MD 1 71 TRP HB3 4.690 . 4.690 3.838 3.710 3.974 . 0 0 "[ . 1]" 1
192 1 18 ILE MD 1 71 TRP HE3 3.640 . 3.640 2.419 2.322 2.480 . 0 0 "[ . 1]" 1
193 1 18 ILE MG 1 19 THR H 4.010 . 4.010 3.781 3.720 3.850 . 0 0 "[ . 1]" 1
194 1 18 ILE MG 1 71 TRP H 5.590 . 5.590 5.570 5.439 5.678 0.088 4 0 "[ . 1]" 1
195 1 19 THR H 1 19 THR HB 3.810 . 3.810 2.574 2.502 2.635 . 0 0 "[ . 1]" 1
196 1 19 THR HA 1 19 THR MG 3.350 . 3.350 2.347 2.339 2.356 . 0 0 "[ . 1]" 1
197 1 19 THR HA 1 20 VAL H 3.320 . 3.320 2.160 2.144 2.206 . 0 0 "[ . 1]" 1
198 1 19 THR HA 1 69 VAL H 4.700 . 4.700 4.477 4.296 4.729 0.029 4 0 "[ . 1]" 1
199 1 19 THR HB 1 20 VAL H 5.020 . 5.020 4.300 4.013 4.364 . 0 0 "[ . 1]" 1
200 1 19 THR MG 1 20 VAL H 3.600 . 3.600 3.031 2.472 3.183 . 0 0 "[ . 1]" 1
201 1 19 THR MG 1 21 SER H 6.000 . 6.000 4.250 4.086 4.363 . 0 0 "[ . 1]" 1
202 1 19 THR MG 1 68 ARG HA 4.380 . 4.380 3.336 3.102 3.617 . 0 0 "[ . 1]" 1
203 1 19 THR MG 1 68 ARG QD 3.680 . 3.680 3.241 2.681 4.142 0.462 6 0 "[ . 1]" 1
204 1 19 THR MG 1 69 VAL H 3.990 . 3.990 3.023 2.894 3.197 . 0 0 "[ . 1]" 1
205 1 20 VAL H 1 20 VAL HB 3.680 . 3.680 2.614 2.574 2.710 . 0 0 "[ . 1]" 1
206 1 20 VAL H 1 20 VAL QG 3.720 . 3.720 2.304 2.215 2.628 . 0 0 "[ . 1]" 1
207 1 20 VAL H 1 69 VAL H 3.810 . 3.810 3.576 3.309 3.895 0.085 9 0 "[ . 1]" 1
208 1 20 VAL H 1 69 VAL QG 4.280 . 4.280 3.955 2.918 4.237 . 0 0 "[ . 1]" 1
209 1 20 VAL H 1 70 GLN H 5.250 . 5.250 4.878 4.647 5.246 . 0 0 "[ . 1]" 1
210 1 20 VAL H 1 71 TRP H 4.740 . 4.740 4.119 3.686 4.393 . 0 0 "[ . 1]" 1
211 1 20 VAL HA 1 20 VAL MG1 3.580 . 3.580 2.336 2.321 2.356 . 0 0 "[ . 1]" 1
212 1 20 VAL HA 1 20 VAL MG2 3.580 . 3.580 2.447 2.424 2.472 . 0 0 "[ . 1]" 1
213 1 20 VAL HA 1 21 SER H 3.080 . 3.080 2.152 2.125 2.166 . 0 0 "[ . 1]" 1
214 1 20 VAL HB 1 21 SER H 4.740 . 4.740 4.292 4.210 4.342 . 0 0 "[ . 1]" 1
215 1 20 VAL HB 1 39 VAL QG 3.090 . 3.590 3.490 3.045 3.697 0.107 3 0 "[ . 1]" 1
216 1 20 VAL HB 1 69 VAL H 4.280 . 4.280 4.292 3.861 4.643 0.363 9 0 "[ . 1]" 1
217 1 20 VAL QG 1 71 TRP H 5.820 . 5.820 3.559 3.178 3.969 . 0 0 "[ . 1]" 1
218 1 20 VAL QG 1 71 TRP HB2 3.790 . 3.790 3.115 2.513 3.613 . 0 0 "[ . 1]" 1
219 1 20 VAL QG 1 71 TRP HB3 4.360 . 4.360 2.696 2.268 3.115 . 0 0 "[ . 1]" 1
220 1 20 VAL QG 1 71 TRP HE3 4.090 . 4.090 3.404 3.057 3.733 . 0 0 "[ . 1]" 1
221 1 21 SER H 1 21 SER HB2 4.160 . 5.160 3.252 2.663 3.895 . 0 0 "[ . 1]" 1
222 1 21 SER H 1 21 SER HB3 4.160 . 5.160 3.247 2.551 3.822 . 0 0 "[ . 1]" 1
223 1 21 SER HA 1 22 ALA H 3.050 . 3.050 2.145 2.126 2.159 . 0 0 "[ . 1]" 1
224 1 21 SER HA 1 22 ALA MB 4.450 . 4.450 3.924 3.896 3.953 . 0 0 "[ . 1]" 1
225 1 21 SER HA 1 66 LEU MD1 5.750 . 6.250 4.874 3.150 6.393 0.143 8 0 "[ . 1]" 1
226 1 21 SER HA 1 66 LEU MD2 5.750 . 5.750 4.803 3.621 5.998 0.248 9 0 "[ . 1]" 1
227 1 21 SER HA 1 67 ALA H 4.830 . 4.830 4.360 3.884 4.695 . 0 0 "[ . 1]" 1
228 1 21 SER HA 1 68 ARG HA 3.880 . 3.880 3.632 3.220 3.963 0.083 9 0 "[ . 1]" 1
229 1 21 SER HA 1 68 ARG QG 6.000 . 6.000 5.320 4.886 5.902 . 0 0 "[ . 1]" 1
230 1 21 SER HA 1 69 VAL H 4.260 . 4.260 3.870 3.483 4.325 0.065 9 0 "[ . 1]" 1
231 1 21 SER HB2 1 22 ALA H 4.440 . 4.440 3.769 3.122 4.137 . 0 0 "[ . 1]" 1
232 1 21 SER HB2 1 66 LEU MD1 4.950 . 4.950 3.691 2.289 5.242 0.292 8 0 "[ . 1]" 1
233 1 21 SER HB2 1 66 LEU MD2 4.950 . 4.950 3.689 2.150 5.205 0.255 9 0 "[ . 1]" 1
234 1 21 SER HB3 1 22 ALA H 4.440 . 4.440 3.819 3.165 4.454 0.014 4 0 "[ . 1]" 1
235 1 21 SER HB3 1 66 LEU MD1 4.950 . 4.950 3.835 2.152 5.236 0.286 10 0 "[ . 1]" 1
236 1 21 SER HB3 1 66 LEU MD2 4.950 . 4.950 3.723 2.219 4.682 . 0 0 "[ . 1]" 1
237 1 22 ALA H 1 22 ALA MB 3.390 . 3.390 2.416 2.371 2.444 . 0 0 "[ . 1]" 1
238 1 22 ALA H 1 23 ARG H 4.840 . 4.840 4.343 4.263 4.433 . 0 0 "[ . 1]" 1
239 1 22 ALA H 1 66 LEU QD 4.120 . 4.120 3.661 2.530 4.133 0.013 6 0 "[ . 1]" 1
240 1 22 ALA H 1 67 ALA H 3.690 . 3.690 3.534 3.311 3.733 0.043 3 0 "[ . 1]" 1
241 1 22 ALA H 1 67 ALA MB 4.070 . 4.070 3.295 2.495 4.113 0.043 9 0 "[ . 1]" 1
242 1 22 ALA H 1 68 ARG HA 5.340 . 5.340 5.250 4.886 5.500 0.160 9 0 "[ . 1]" 1
243 1 22 ALA HA 1 23 ARG H 3.160 . 3.160 2.150 2.134 2.166 . 0 0 "[ . 1]" 1
244 1 22 ALA HA 1 23 ARG QG 4.080 . 4.080 3.768 3.711 3.837 . 0 0 "[ . 1]" 1
245 1 22 ALA MB 1 23 ARG H 3.900 . 3.900 3.192 3.102 3.286 . 0 0 "[ . 1]" 1
246 1 22 ALA MB 1 67 ALA H 4.430 . 4.730 4.592 4.027 4.791 0.061 2 0 "[ . 1]" 1
247 1 23 ARG H 1 23 ARG QB 3.420 . 3.420 2.446 2.346 2.682 . 0 0 "[ . 1]" 1
248 1 23 ARG H 1 23 ARG QD 5.090 . 5.090 3.943 3.823 4.268 . 0 0 "[ . 1]" 1
249 1 23 ARG H 1 23 ARG QG 3.940 . 3.940 2.358 2.024 2.505 . 0 0 "[ . 1]" 1
250 1 23 ARG H 1 108 PHE QD 5.160 . 5.160 5.290 5.115 5.483 0.323 7 0 "[ . 1]" 1
251 1 23 ARG HA 1 24 VAL H 3.080 . 3.080 2.153 2.104 2.246 . 0 0 "[ . 1]" 1
252 1 23 ARG HA 1 64 THR HB 4.880 . 4.880 4.443 4.136 4.717 . 0 0 "[ . 1]" 1
253 1 23 ARG HA 1 66 LEU MD1 3.830 . 4.830 4.357 2.295 4.912 0.082 7 0 "[ . 1]" 1
254 1 23 ARG HA 1 66 LEU MD2 3.830 . 3.830 3.380 2.546 4.075 0.245 4 0 "[ . 1]" 1
255 1 23 ARG QB 1 64 THR MG 3.900 . 4.400 3.930 3.663 4.311 . 0 0 "[ . 1]" 1
256 1 23 ARG QB 1 66 LEU QD 3.960 . 4.460 3.757 2.406 4.458 . 0 0 "[ . 1]" 1
257 1 23 ARG QB 1 108 PHE QB 5.790 . 6.290 5.739 5.386 6.122 . 0 0 "[ . 1]" 1
258 1 23 ARG QB 1 108 PHE QD 4.460 . 5.960 5.475 5.290 5.971 0.011 8 0 "[ . 1]" 1
259 1 23 ARG QD 1 64 THR HB 5.550 . 5.550 5.092 4.639 5.599 0.049 3 0 "[ . 1]" 1
260 1 23 ARG QD 1 66 LEU MD1 4.870 . 5.870 4.832 3.859 5.685 . 0 0 "[ . 1]" 1
261 1 23 ARG QD 1 66 LEU MD2 4.870 . 4.870 4.041 3.276 4.972 0.102 7 0 "[ . 1]" 1
262 1 23 ARG QG 1 64 THR HB 5.000 . 5.000 4.917 4.578 5.282 0.282 8 0 "[ . 1]" 1
263 1 24 VAL H 1 24 VAL HB 3.920 . 3.920 2.984 2.487 3.719 . 0 0 "[ . 1]" 1
264 1 24 VAL H 1 24 VAL QG 3.480 . 3.480 2.127 1.836 2.394 . 0 0 "[ . 1]" 1
265 1 24 VAL H 1 56 ILE MD 4.570 . 5.570 5.142 4.436 5.638 0.068 4 0 "[ . 1]" 1
266 1 24 VAL H 1 64 THR MG 4.160 . 5.160 5.089 4.507 5.271 0.111 1 0 "[ . 1]" 1
267 1 24 VAL H 1 65 GLY H 3.850 . 3.850 3.061 2.391 3.415 . 0 0 "[ . 1]" 1
268 1 24 VAL H 1 66 LEU HA 4.320 . 4.320 3.970 3.476 4.372 0.052 6 0 "[ . 1]" 1
269 1 24 VAL H 1 66 LEU MD1 5.020 . 5.820 5.553 3.827 6.165 0.345 7 0 "[ . 1]" 1
270 1 24 VAL H 1 66 LEU MD2 5.020 . 5.020 4.729 3.883 5.535 0.515 4 1 "[ +. 1]" 1
271 1 24 VAL HA 1 24 VAL QG 3.140 . 3.140 2.219 2.114 2.328 . 0 0 "[ . 1]" 1
272 1 24 VAL HA 1 25 THR H 2.970 . 2.970 2.156 2.135 2.171 . 0 0 "[ . 1]" 1
273 1 24 VAL HA 1 25 THR HB 5.030 . 5.030 4.641 4.576 4.747 . 0 0 "[ . 1]" 1
274 1 24 VAL HB 1 25 THR H 4.490 . 4.490 3.998 3.334 4.346 . 0 0 "[ . 1]" 1
275 1 24 VAL HB 1 65 GLY H 4.230 . 4.230 3.928 3.064 4.711 0.481 10 0 "[ . 1]" 1
276 1 24 VAL QG 1 25 THR H 3.480 . 3.480 3.038 2.555 3.630 0.150 3 0 "[ . 1]" 1
277 1 24 VAL QG 1 65 GLY QA 3.850 . 3.850 3.009 2.185 4.288 0.438 9 0 "[ . 1]" 1
278 1 24 VAL QG 1 66 LEU H 3.480 . 4.980 4.556 3.963 5.176 0.196 5 0 "[ . 1]" 1
279 1 25 THR H 1 25 THR HB 3.420 . 3.420 2.535 2.493 2.615 . 0 0 "[ . 1]" 1
280 1 25 THR H 1 25 THR MG 3.980 . 3.980 3.832 3.814 3.863 . 0 0 "[ . 1]" 1
281 1 25 THR H 1 26 ASN H 4.510 . 4.510 4.462 4.380 4.555 0.045 9 0 "[ . 1]" 1
282 1 25 THR HA 1 25 THR MG 3.280 . 3.280 2.364 2.337 2.385 . 0 0 "[ . 1]" 1
283 1 25 THR HA 1 26 ASN H 3.120 . 3.120 2.156 2.138 2.188 . 0 0 "[ . 1]" 1
284 1 25 THR HA 1 64 THR HA 3.780 . 3.780 2.761 2.461 3.158 . 0 0 "[ . 1]" 1
285 1 25 THR HA 1 65 GLY H 4.150 . 4.150 4.058 3.617 4.462 0.312 9 0 "[ . 1]" 1
286 1 25 THR HB 1 26 ASN H 4.350 . 4.350 4.247 4.160 4.276 . 0 0 "[ . 1]" 1
287 1 25 THR HB 1 26 ASN HA 4.840 . 5.340 5.119 5.007 5.198 . 0 0 "[ . 1]" 1
288 1 25 THR HB 1 27 ARG QG 4.370 . 4.370 3.544 2.929 4.611 0.241 5 0 "[ . 1]" 1
289 1 25 THR MG 1 26 ASN H 3.410 . 3.410 2.832 2.696 2.913 . 0 0 "[ . 1]" 1
290 1 25 THR MG 1 27 ARG QD 3.650 . 3.650 3.272 2.376 3.748 0.098 8 0 "[ . 1]" 1
291 1 25 THR MG 1 27 ARG QG 2.970 . 2.970 2.674 2.287 3.344 0.374 5 0 "[ . 1]" 1
292 1 26 ASN H 1 26 ASN HB2 3.670 . 3.670 2.580 2.363 2.738 . 0 0 "[ . 1]" 1
293 1 26 ASN H 1 26 ASN HB3 3.670 . 3.670 2.860 2.480 3.679 0.009 5 0 "[ . 1]" 1
294 1 26 ASN H 1 59 ILE MG 3.930 . 3.930 3.734 3.406 3.998 0.068 7 0 "[ . 1]" 1
295 1 26 ASN H 1 64 THR HA 4.020 . 4.020 2.906 2.550 3.387 . 0 0 "[ . 1]" 1
296 1 26 ASN H 1 64 THR MG 3.960 . 3.960 3.448 2.932 4.009 0.049 9 0 "[ . 1]" 1
297 1 26 ASN H 1 65 GLY H 5.260 . 5.260 4.728 4.024 5.300 0.040 9 0 "[ . 1]" 1
298 1 26 ASN HA 1 27 ARG H 3.360 . 3.360 2.146 2.121 2.167 . 0 0 "[ . 1]" 1
299 1 26 ASN QB 1 32 ALA H 4.800 . 4.800 4.607 3.891 5.102 0.302 10 0 "[ . 1]" 1
300 1 26 ASN QB 1 32 ALA MB 4.460 . 4.460 3.552 2.796 4.331 . 0 0 "[ . 1]" 1
301 1 26 ASN QB 1 59 ILE HB 4.170 . 4.170 3.854 2.947 4.500 0.330 8 0 "[ . 1]" 1
302 1 26 ASN QB 1 59 ILE MD 4.910 . 4.910 3.717 2.985 4.159 . 0 0 "[ . 1]" 1
303 1 26 ASN QB 1 62 GLY H 4.450 . 4.450 3.669 3.111 4.324 . 0 0 "[ . 1]" 1
304 1 26 ASN QB 1 63 GLY H 4.450 . 4.450 3.310 2.916 4.153 . 0 0 "[ . 1]" 1
305 1 26 ASN HB2 1 59 ILE MG 3.970 . 3.970 2.375 2.080 2.954 . 0 0 "[ . 1]" 1
306 1 26 ASN HB3 1 59 ILE MG 3.970 . 3.970 3.211 2.687 3.968 . 0 0 "[ . 1]" 1
307 1 27 ARG H 1 28 GLY H 3.390 . 4.390 4.287 4.002 4.597 0.207 5 0 "[ . 1]" 1
308 1 27 ARG HA 1 62 GLY H 4.610 . 4.910 5.051 4.850 5.200 0.290 6 0 "[ . 1]" 1
309 1 27 ARG QB 1 28 GLY H 4.190 . 4.190 3.096 1.847 3.741 . 0 0 "[ . 1]" 1
310 1 28 GLY QA 1 29 ALA H 3.100 . 3.100 2.148 2.073 2.198 . 0 0 "[ . 1]" 1
311 1 28 GLY QA 1 29 ALA MB 4.560 . 4.560 3.636 3.538 3.796 . 0 0 "[ . 1]" 1
312 1 28 GLY QA 1 30 ALA H 3.870 . 3.870 3.323 2.818 4.533 0.663 5 1 "[ + 1]" 1
313 1 29 ALA H 1 29 ALA MB 3.140 . 3.140 2.648 2.236 2.864 . 0 0 "[ . 1]" 1
314 1 29 ALA H 1 30 ALA H 3.210 . 4.710 2.045 1.491 2.872 0.309 6 0 "[ . 1]" 1
315 1 29 ALA H 1 30 ALA MB 4.810 . 4.810 3.840 3.363 4.737 . 0 0 "[ . 1]" 1
316 1 29 ALA HA 1 30 ALA H 3.520 . 3.520 3.240 3.047 3.534 0.014 5 0 "[ . 1]" 1
317 1 29 ALA HA 1 61 VAL QG 4.030 . 5.030 3.597 2.805 4.642 . 0 0 "[ . 1]" 1
318 1 29 ALA MB 1 30 ALA H 3.730 . 3.730 3.241 1.854 3.557 . 0 0 "[ . 1]" 1
319 1 30 ALA H 1 30 ALA MB 2.930 . 2.930 2.654 2.605 2.697 . 0 0 "[ . 1]" 1
320 1 30 ALA H 1 31 GLU H 4.860 . 4.860 4.403 4.390 4.415 . 0 0 "[ . 1]" 1
321 1 30 ALA H 1 61 VAL QG 3.730 . 3.730 3.284 2.908 3.730 . 0 0 "[ . 1]" 1
322 1 30 ALA HA 1 31 GLU H 3.280 . 3.280 2.346 2.228 2.476 . 0 0 "[ . 1]" 1
323 1 30 ALA HA 1 61 VAL QG 3.730 . 3.730 2.743 2.501 3.440 . 0 0 "[ . 1]" 1
324 1 30 ALA MB 1 31 GLU H 3.530 . 3.530 2.459 2.196 2.733 . 0 0 "[ . 1]" 1
325 1 30 ALA MB 1 31 GLU HA 4.550 . 4.550 4.393 4.308 4.481 . 0 0 "[ . 1]" 1
326 1 31 GLU H 1 31 GLU QG 3.460 . 3.460 2.477 1.878 3.978 0.518 9 1 "[ . +1]" 1
327 1 31 GLU H 1 32 ALA H 4.830 . 4.830 4.513 4.470 4.567 . 0 0 "[ . 1]" 1
328 1 31 GLU H 1 61 VAL QG 4.040 . 4.040 3.142 2.709 4.049 0.009 10 0 "[ . 1]" 1
329 1 31 GLU HA 1 31 GLU QG 3.520 . 3.520 2.493 2.373 3.356 . 0 0 "[ . 1]" 1
330 1 31 GLU HA 1 32 ALA H 3.150 . 3.150 2.167 2.158 2.179 . 0 0 "[ . 1]" 1
331 1 31 GLU HA 1 32 ALA MB 4.050 . 4.050 4.019 3.984 4.050 . 0 0 "[ . 1]" 1
332 1 31 GLU HA 1 60 PRO HA 3.920 . 3.920 3.748 3.482 3.958 0.038 1 0 "[ . 1]" 1
333 1 31 GLU HA 1 60 PRO QB 3.960 . 5.460 5.373 5.086 5.568 0.108 1 0 "[ . 1]" 1
334 1 31 GLU HA 1 61 VAL H 4.170 . 4.170 3.787 3.324 4.101 . 0 0 "[ . 1]" 1
335 1 31 GLU HA 1 61 VAL QG 4.340 . 4.340 2.716 2.260 3.747 . 0 0 "[ . 1]" 1
336 1 31 GLU QB 1 32 ALA MB 4.810 . 4.810 4.746 4.574 5.095 0.285 9 0 "[ . 1]" 1
337 1 31 GLU QG 1 32 ALA H 4.180 . 4.180 4.100 3.037 4.368 0.188 1 0 "[ . 1]" 1
338 1 32 ALA H 1 32 ALA MB 3.360 . 3.360 2.303 2.263 2.377 . 0 0 "[ . 1]" 1
339 1 32 ALA H 1 33 HIS H 4.840 . 4.840 4.569 4.516 4.594 . 0 0 "[ . 1]" 1
340 1 32 ALA H 1 33 HIS HA 5.750 . 5.750 5.305 5.161 5.419 . 0 0 "[ . 1]" 1
341 1 32 ALA H 1 35 VAL MG2 5.200 . 5.200 5.049 4.495 5.741 0.541 10 1 "[ . +]" 1
342 1 32 ALA H 1 59 ILE H 3.670 . 5.170 4.816 4.337 5.573 0.403 7 0 "[ . 1]" 1
343 1 32 ALA H 1 59 ILE HB 4.400 . 4.900 3.995 3.592 4.314 . 0 0 "[ . 1]" 1
344 1 32 ALA H 1 59 ILE MD 4.980 . 5.980 5.422 4.923 6.218 0.238 8 0 "[ . 1]" 1
345 1 32 ALA H 1 61 VAL H 5.040 . 5.540 5.236 4.707 5.690 0.150 6 0 "[ . 1]" 1
346 1 32 ALA HA 1 33 HIS H 2.900 . 2.900 2.268 2.191 2.327 . 0 0 "[ . 1]" 1
347 1 32 ALA MB 1 33 HIS H 3.430 . 3.430 2.688 2.511 2.999 . 0 0 "[ . 1]" 1
348 1 32 ALA MB 1 59 ILE HB 3.340 . 3.340 3.249 2.741 3.442 0.102 2 0 "[ . 1]" 1
349 1 33 HIS H 1 33 HIS HD2 4.890 . 5.890 5.005 3.790 5.536 . 0 0 "[ . 1]" 1
350 1 33 HIS HA 1 33 HIS HD2 4.270 . 4.770 3.267 2.486 5.064 0.294 10 0 "[ . 1]" 1
351 1 33 HIS HA 1 34 ASN H 3.010 . 3.010 2.394 2.212 2.544 . 0 0 "[ . 1]" 1
352 1 33 HIS HA 1 34 ASN HA 4.820 . 4.820 4.468 4.328 4.564 . 0 0 "[ . 1]" 1
353 1 33 HIS HA 1 35 VAL H 4.510 . 4.510 4.115 3.907 4.672 0.162 6 0 "[ . 1]" 1
354 1 33 HIS HD2 1 58 ARG HA 4.460 . 4.460 3.708 2.536 4.778 0.318 7 0 "[ . 1]" 1
355 1 34 ASN H 1 35 VAL H 3.690 . 3.690 3.058 2.314 3.770 0.080 6 0 "[ . 1]" 1
356 1 34 ASN H 1 35 VAL HB 4.880 . 5.380 5.131 3.989 5.811 0.431 6 0 "[ . 1]" 1
357 1 34 ASN H 1 55 THR MG 3.810 . 4.810 3.973 3.482 4.721 . 0 0 "[ . 1]" 1
358 1 34 ASN HA 1 35 VAL H 3.220 . 3.220 2.502 2.288 2.603 . 0 0 "[ . 1]" 1
359 1 34 ASN HA 1 55 THR MG 3.650 . 3.650 2.586 2.234 2.901 . 0 0 "[ . 1]" 1
360 1 34 ASN QB 1 55 THR MG 3.770 . 3.770 3.815 3.558 4.009 0.239 2 0 "[ . 1]" 1
361 1 34 ASN HB2 1 35 VAL H 4.870 . 4.870 4.475 4.131 4.670 . 0 0 "[ . 1]" 1
362 1 34 ASN HB3 1 35 VAL H 4.870 . 4.870 4.452 4.345 4.747 . 0 0 "[ . 1]" 1
363 1 35 VAL H 1 35 VAL HB 3.400 . 3.400 2.623 2.558 2.677 . 0 0 "[ . 1]" 1
364 1 35 VAL H 1 55 THR MG 3.030 . 3.530 2.854 2.303 3.317 . 0 0 "[ . 1]" 1
365 1 35 VAL H 1 56 ILE H 3.740 . 3.740 3.640 3.260 3.878 0.138 9 0 "[ . 1]" 1
366 1 35 VAL H 1 56 ILE HB 3.710 . 4.210 4.147 3.795 4.414 0.204 7 0 "[ . 1]" 1
367 1 35 VAL HA 1 35 VAL MG1 3.190 . 3.190 2.349 2.335 2.374 . 0 0 "[ . 1]" 1
368 1 35 VAL HB 1 56 ILE H 4.220 . 4.720 4.019 3.417 4.503 . 0 0 "[ . 1]" 1
369 1 35 VAL HB 1 56 ILE HB 3.790 . 3.790 3.597 3.157 4.017 0.227 10 0 "[ . 1]" 1
370 1 35 VAL HB 1 56 ILE MD 3.990 . 4.990 4.345 3.100 5.138 0.148 5 0 "[ . 1]" 1
371 1 35 VAL HB 1 56 ILE MG 4.330 . 4.830 4.849 4.664 5.078 0.248 10 0 "[ . 1]" 1
372 1 36 PRO HA 1 37 VAL H 3.100 . 3.100 2.318 2.138 2.486 . 0 0 "[ . 1]" 1
373 1 36 PRO HA 1 55 THR HA 3.690 . 3.690 2.437 2.392 2.523 . 0 0 "[ . 1]" 1
374 1 36 PRO HA 1 56 ILE H 4.230 . 4.230 3.851 3.517 4.100 . 0 0 "[ . 1]" 1
375 1 36 PRO HA 1 56 ILE QG 4.480 . 4.480 4.497 3.995 4.747 0.267 6 0 "[ . 1]" 1
376 1 36 PRO QB 1 37 VAL H 4.020 . 4.020 2.994 2.374 3.780 . 0 0 "[ . 1]" 1
377 1 36 PRO QB 1 56 ILE H 6.000 . 6.000 5.060 4.562 5.341 . 0 0 "[ . 1]" 1
378 1 36 PRO QG 1 93 ASP HA 4.160 . 4.660 4.727 4.583 4.966 0.306 5 0 "[ . 1]" 1
379 1 37 VAL H 1 37 VAL HB 3.490 . 3.490 2.857 2.515 3.348 . 0 0 "[ . 1]" 1
380 1 37 VAL H 1 37 VAL MG1 4.220 . 4.220 2.867 1.936 3.977 . 0 0 "[ . 1]" 1
381 1 37 VAL H 1 37 VAL QG 3.490 . 3.490 2.319 1.931 2.772 . 0 0 "[ . 1]" 1
382 1 37 VAL H 1 37 VAL MG2 4.220 . 4.220 3.380 2.141 4.015 . 0 0 "[ . 1]" 1
383 1 37 VAL H 1 55 THR H 5.100 . 5.600 5.340 4.998 5.679 0.079 10 0 "[ . 1]" 1
384 1 37 VAL H 1 55 THR HA 3.880 . 4.380 3.963 3.521 4.331 . 0 0 "[ . 1]" 1
385 1 37 VAL H 1 56 ILE H 5.640 . 5.640 5.315 4.591 5.710 0.070 3 0 "[ . 1]" 1
386 1 37 VAL H 1 67 ALA MB 4.530 . 5.030 4.657 3.800 5.252 0.222 3 0 "[ . 1]" 1
387 1 37 VAL H 1 93 ASP H 5.330 . 5.830 5.428 5.155 5.676 . 0 0 "[ . 1]" 1
388 1 37 VAL HA 1 37 VAL MG1 3.510 . 3.510 2.896 2.339 3.263 . 0 0 "[ . 1]" 1
389 1 37 VAL HA 1 37 VAL MG2 3.510 . 3.510 2.390 2.344 2.444 . 0 0 "[ . 1]" 1
390 1 37 VAL HA 1 38 ALA H 3.160 . 3.160 2.195 2.145 2.256 . 0 0 "[ . 1]" 1
391 1 37 VAL HA 1 38 ALA MB 4.320 . 4.320 3.895 3.875 3.928 . 0 0 "[ . 1]" 1
392 1 37 VAL HA 1 92 VAL HA 3.980 . 3.980 3.192 2.964 3.385 . 0 0 "[ . 1]" 1
393 1 37 VAL HA 1 93 ASP H 4.120 . 4.120 3.325 2.887 3.774 . 0 0 "[ . 1]" 1
394 1 37 VAL HB 1 38 ALA H 3.960 . 3.960 4.061 3.954 4.125 0.165 10 0 "[ . 1]" 1
395 1 37 VAL HB 1 54 ASP H 4.460 . 5.460 4.476 3.153 5.454 . 0 0 "[ . 1]" 1
396 1 37 VAL HB 1 67 ALA MB 3.440 . 3.940 3.567 2.310 4.134 0.194 10 0 "[ . 1]" 1
397 1 37 VAL QG 1 38 ALA H 3.420 . 3.420 2.385 2.236 2.531 . 0 0 "[ . 1]" 1
398 1 37 VAL QG 1 38 ALA HA 3.930 . 3.930 3.521 3.374 3.731 . 0 0 "[ . 1]" 1
399 1 37 VAL QG 1 38 ALA MB 4.230 . 4.230 3.832 3.715 3.967 . 0 0 "[ . 1]" 1
400 1 37 VAL QG 1 40 TYR QD 5.920 . 5.920 5.927 5.795 6.014 0.094 4 0 "[ . 1]" 1
401 1 37 VAL QG 1 90 ALA HA 3.970 . 4.470 4.442 4.186 4.580 0.110 6 0 "[ . 1]" 1
402 1 37 VAL QG 1 91 VAL H 3.680 . 3.680 3.728 3.634 3.808 0.128 8 0 "[ . 1]" 1
403 1 37 VAL QG 1 92 VAL HA 3.610 . 3.610 3.080 2.817 3.290 . 0 0 "[ . 1]" 1
404 1 37 VAL QG 1 92 VAL QG 4.360 . 4.360 3.149 2.674 3.738 . 0 0 "[ . 1]" 1
405 1 37 VAL QG 1 93 ASP H 4.030 . 4.030 4.110 3.913 4.284 0.254 9 0 "[ . 1]" 1
406 1 37 VAL MG1 1 39 VAL H 5.480 . 5.480 4.319 3.777 4.786 . 0 0 "[ . 1]" 1
407 1 37 VAL MG2 1 39 VAL H 5.480 . 5.980 5.012 4.059 6.293 0.313 4 0 "[ . 1]" 1
408 1 38 ALA H 1 38 ALA MB 3.520 . 3.520 2.486 2.445 2.509 . 0 0 "[ . 1]" 1
409 1 38 ALA H 1 90 ALA HA 5.020 . 5.820 5.383 4.960 5.563 . 0 0 "[ . 1]" 1
410 1 38 ALA H 1 91 VAL H 4.050 . 4.050 3.886 3.612 4.048 . 0 0 "[ . 1]" 1
411 1 38 ALA H 1 91 VAL HB 4.310 . 4.810 4.784 4.596 4.894 0.084 9 0 "[ . 1]" 1
412 1 38 ALA H 1 91 VAL QG 3.810 . 4.810 4.870 4.755 4.929 0.119 1 0 "[ . 1]" 1
413 1 38 ALA H 1 92 VAL HA 4.340 . 4.340 3.865 3.596 4.143 . 0 0 "[ . 1]" 1
414 1 38 ALA H 1 93 ASP H 4.890 . 4.890 4.407 4.057 4.697 . 0 0 "[ . 1]" 1
415 1 38 ALA HA 1 39 VAL H 3.040 . 3.040 2.150 2.138 2.165 . 0 0 "[ . 1]" 1
416 1 38 ALA HA 1 50 GLU QG 4.950 . 4.950 3.647 3.035 4.784 . 0 0 "[ . 1]" 1
417 1 38 ALA HA 1 53 ARG HA 3.780 . 4.280 3.872 3.475 4.163 . 0 0 "[ . 1]" 1
418 1 38 ALA HA 1 53 ARG HB2 4.510 . 4.510 4.031 3.828 4.214 . 0 0 "[ . 1]" 1
419 1 38 ALA HA 1 53 ARG HB3 4.510 . 4.510 2.932 2.822 3.042 . 0 0 "[ . 1]" 1
420 1 38 ALA HA 1 53 ARG QG 5.220 . 5.220 4.912 4.775 4.995 . 0 0 "[ . 1]" 1
421 1 38 ALA HA 1 54 ASP H 5.140 . 5.640 5.331 4.835 5.644 0.004 1 0 "[ . 1]" 1
422 1 38 ALA MB 1 39 VAL H 3.640 . 3.640 3.244 3.064 3.380 . 0 0 "[ . 1]" 1
423 1 38 ALA MB 1 40 TYR QE 3.520 . 4.020 4.047 3.753 4.187 0.167 3 0 "[ . 1]" 1
424 1 38 ALA MB 1 50 GLU QG 4.250 . 4.250 3.159 2.466 4.167 . 0 0 "[ . 1]" 1
425 1 38 ALA MB 1 91 VAL H 4.540 . 4.540 4.221 3.987 4.420 . 0 0 "[ . 1]" 1
426 1 38 ALA MB 1 91 VAL HB 3.880 . 3.880 3.974 3.896 4.084 0.204 7 0 "[ . 1]" 1
427 1 39 VAL H 1 39 VAL HB 3.380 . 3.380 2.837 2.589 3.656 0.276 3 0 "[ . 1]" 1
428 1 39 VAL H 1 39 VAL MG1 4.040 . 4.040 3.692 2.866 3.897 . 0 0 "[ . 1]" 1
429 1 39 VAL H 1 39 VAL QG 3.450 . 3.450 2.349 1.839 2.538 . 0 0 "[ . 1]" 1
430 1 39 VAL H 1 39 VAL MG2 4.040 . 4.040 2.377 1.861 2.573 . 0 0 "[ . 1]" 1
431 1 39 VAL H 1 40 TYR H 5.090 . 5.090 4.463 4.436 4.488 . 0 0 "[ . 1]" 1
432 1 39 VAL H 1 52 GLY H 3.900 . 3.900 3.640 3.349 4.020 0.120 5 0 "[ . 1]" 1
433 1 39 VAL H 1 53 ARG HA 3.970 . 4.470 4.477 4.095 4.624 0.154 1 0 "[ . 1]" 1
434 1 39 VAL H 1 53 ARG HB2 4.780 . 5.780 5.595 5.341 5.833 0.053 8 0 "[ . 1]" 1
435 1 39 VAL H 1 53 ARG HB3 4.780 . 4.780 4.296 4.039 4.526 . 0 0 "[ . 1]" 1
436 1 39 VAL H 1 69 VAL QG 4.880 . 4.880 4.109 3.970 4.263 . 0 0 "[ . 1]" 1
437 1 39 VAL HA 1 40 TYR H 3.470 . 3.470 2.186 2.158 2.201 . 0 0 "[ . 1]" 1
438 1 39 VAL HA 1 40 TYR QD 3.940 . 3.940 3.226 3.096 3.315 . 0 0 "[ . 1]" 1
439 1 39 VAL HA 1 40 TYR QE 4.620 . 4.620 4.216 4.111 4.302 . 0 0 "[ . 1]" 1
440 1 39 VAL HA 1 90 ALA HA 3.830 . 3.830 2.627 2.470 2.790 . 0 0 "[ . 1]" 1
441 1 39 VAL HA 1 90 ALA MB 3.820 . 3.820 3.540 3.312 3.802 . 0 0 "[ . 1]" 1
442 1 39 VAL HA 1 91 VAL H 4.170 . 4.170 3.571 3.426 3.810 . 0 0 "[ . 1]" 1
443 1 39 VAL HB 1 52 GLY H 4.670 . 4.670 4.252 3.713 5.152 0.482 3 0 "[ . 1]" 1
444 1 39 VAL HB 1 69 VAL QG 3.750 . 3.750 3.449 3.061 4.089 0.339 2 0 "[ . 1]" 1
445 1 39 VAL HB 1 90 ALA HA 5.130 . 5.630 5.071 4.167 5.408 . 0 0 "[ . 1]" 1
446 1 39 VAL QG 1 40 TYR H 3.670 . 3.670 2.565 2.269 3.450 . 0 0 "[ . 1]" 1
447 1 39 VAL QG 1 51 ILE MD 3.560 . 3.560 2.902 2.351 3.442 . 0 0 "[ . 1]" 1
448 1 39 VAL QG 1 52 GLY H 3.980 . 4.480 4.086 2.487 4.634 0.154 6 0 "[ . 1]" 1
449 1 39 VAL QG 1 53 ARG HA 4.790 . 5.790 4.196 3.677 4.473 . 0 0 "[ . 1]" 1
450 1 39 VAL QG 1 69 VAL HB 3.100 . 4.100 3.660 2.783 4.178 0.078 9 0 "[ . 1]" 1
451 1 39 VAL QG 1 91 VAL H 3.870 . 4.370 3.691 3.539 4.005 . 0 0 "[ . 1]" 1
452 1 40 TYR H 1 40 TYR QD 4.150 . 4.150 2.967 2.856 3.056 . 0 0 "[ . 1]" 1
453 1 40 TYR H 1 40 TYR QE 4.660 . 4.660 4.153 4.069 4.224 . 0 0 "[ . 1]" 1
454 1 40 TYR H 1 51 ILE MD 5.240 . 5.240 4.268 4.088 4.771 . 0 0 "[ . 1]" 1
455 1 40 TYR H 1 89 TYR H 4.240 . 4.740 4.156 3.956 4.561 . 0 0 "[ . 1]" 1
456 1 40 TYR H 1 89 TYR QB 4.610 . 4.610 3.975 3.554 4.229 . 0 0 "[ . 1]" 1
457 1 40 TYR H 1 90 ALA HA 4.420 . 4.420 3.574 3.396 3.695 . 0 0 "[ . 1]" 1
458 1 40 TYR H 1 91 VAL H 4.900 . 4.900 5.003 4.889 5.112 0.212 9 0 "[ . 1]" 1
459 1 40 TYR HA 1 41 LEU H 3.400 . 3.400 2.173 2.130 2.245 . 0 0 "[ . 1]" 1
460 1 40 TYR HA 1 50 GLU HA 3.830 . 3.830 3.608 3.217 3.776 . 0 0 "[ . 1]" 1
461 1 40 TYR HA 1 51 ILE H 4.090 . 4.090 3.540 3.218 3.795 . 0 0 "[ . 1]" 1
462 1 40 TYR HA 1 51 ILE MD 4.380 . 4.380 2.852 2.730 3.045 . 0 0 "[ . 1]" 1
463 1 40 TYR HA 1 52 GLY H 4.840 . 5.340 5.406 5.074 5.538 0.198 8 0 "[ . 1]" 1
464 1 40 TYR QB 1 41 LEU H 3.940 . 3.940 3.075 2.762 3.283 . 0 0 "[ . 1]" 1
465 1 40 TYR QB 1 89 TYR QB 4.870 . 5.870 5.060 4.639 5.342 . 0 0 "[ . 1]" 1
466 1 40 TYR QD 1 41 LEU H 4.530 . 4.530 4.177 3.870 4.436 . 0 0 "[ . 1]" 1
467 1 40 TYR QD 1 44 PRO HA 5.270 . 5.270 4.659 4.098 5.022 . 0 0 "[ . 1]" 1
468 1 40 TYR QD 1 44 PRO QB 5.620 . 5.620 5.362 4.637 5.866 0.246 7 0 "[ . 1]" 1
469 1 40 TYR QD 1 49 VAL HA 5.320 . 5.820 5.741 5.503 6.050 0.230 9 0 "[ . 1]" 1
470 1 40 TYR QD 1 50 GLU HA 4.250 . 4.250 4.214 3.904 4.488 0.238 6 0 "[ . 1]" 1
471 1 40 TYR QD 1 90 ALA HA 4.880 . 4.880 4.480 4.310 4.735 . 0 0 "[ . 1]" 1
472 1 40 TYR QD 1 91 VAL QG 4.230 . 5.930 4.171 4.064 4.391 . 0 0 "[ . 1]" 1
473 1 40 TYR QE 1 44 PRO QD 5.210 . 5.210 2.581 2.452 3.040 . 0 0 "[ . 1]" 1
474 1 40 TYR QE 1 89 TYR HB2 4.190 . 4.190 3.319 3.014 3.595 . 0 0 "[ . 1]" 1
475 1 40 TYR QE 1 89 TYR HB3 4.190 . 4.190 3.564 3.091 3.988 . 0 0 "[ . 1]" 1
476 1 40 TYR QE 1 91 VAL H 4.210 . 4.210 3.524 3.268 3.755 . 0 0 "[ . 1]" 1
477 1 40 TYR QE 1 91 VAL HB 3.290 . 4.290 2.749 2.588 2.954 . 0 0 "[ . 1]" 1
478 1 40 TYR QE 1 91 VAL QG 3.250 . 3.250 2.371 2.287 2.670 . 0 0 "[ . 1]" 1
479 1 41 LEU H 1 41 LEU HB2 3.800 . 3.800 2.567 2.263 2.774 . 0 0 "[ . 1]" 1
480 1 41 LEU H 1 41 LEU HB3 3.800 . 3.800 2.748 2.488 3.560 . 0 0 "[ . 1]" 1
481 1 41 LEU H 1 41 LEU QD 4.020 . 4.020 3.710 2.512 3.890 . 0 0 "[ . 1]" 1
482 1 41 LEU H 1 42 GLY H 4.580 . 4.580 4.511 4.470 4.560 . 0 0 "[ . 1]" 1
483 1 41 LEU H 1 49 VAL H 4.370 . 4.370 3.945 3.555 4.370 0.000 9 0 "[ . 1]" 1
484 1 41 LEU H 1 49 VAL QG 4.590 . 4.590 3.875 3.205 4.642 0.052 10 0 "[ . 1]" 1
485 1 41 LEU H 1 50 GLU HA 4.430 . 5.430 5.447 5.043 5.580 0.150 2 0 "[ . 1]" 1
486 1 41 LEU H 1 51 ILE H 4.610 . 5.610 5.251 4.759 5.569 . 0 0 "[ . 1]" 1
487 1 41 LEU H 1 51 ILE MD 4.710 . 4.710 2.466 2.045 3.035 . 0 0 "[ . 1]" 1
488 1 41 LEU HA 1 41 LEU QD 3.380 . 3.380 2.531 2.372 3.064 . 0 0 "[ . 1]" 1
489 1 41 LEU HA 1 42 GLY H 3.210 . 3.210 2.156 2.116 2.183 . 0 0 "[ . 1]" 1
490 1 41 LEU HA 1 51 ILE MD 4.550 . 4.550 4.087 3.870 4.570 0.020 5 0 "[ . 1]" 1
491 1 41 LEU HB2 1 51 ILE MD 4.790 . 4.790 2.470 2.326 2.716 . 0 0 "[ . 1]" 1
492 1 41 LEU HB3 1 42 GLY H 4.590 . 4.590 4.064 3.447 4.215 . 0 0 "[ . 1]" 1
493 1 41 LEU HB3 1 51 ILE MD 4.790 . 4.790 3.389 2.800 4.256 . 0 0 "[ . 1]" 1
494 1 41 LEU QD 1 42 GLY H 4.930 . 4.930 3.262 1.925 4.012 . 0 0 "[ . 1]" 1
495 1 41 LEU QD 1 71 TRP HE1 5.030 . 5.030 4.419 3.904 4.910 . 0 0 "[ . 1]" 1
496 1 41 LEU QD 1 71 TRP HE3 3.630 . 3.630 3.671 2.866 3.851 0.221 6 0 "[ . 1]" 1
497 1 41 LEU QD 1 71 TRP HH2 3.290 . 3.290 2.531 2.326 3.016 . 0 0 "[ . 1]" 1
498 1 41 LEU QD 1 71 TRP HZ2 3.710 . 3.710 2.952 2.531 3.682 . 0 0 "[ . 1]" 1
499 1 41 LEU QD 1 74 THR H 5.890 . 5.890 5.099 4.453 5.647 . 0 0 "[ . 1]" 1
500 1 41 LEU QD 1 87 PRO QG 4.630 . 4.630 4.111 2.891 4.651 0.021 5 0 "[ . 1]" 1
501 1 41 LEU HG 1 42 GLY H 4.070 . 4.070 2.859 2.531 3.845 . 0 0 "[ . 1]" 1
502 1 41 LEU HG 1 42 GLY QA 5.130 . 5.130 3.854 3.454 5.270 0.140 5 0 "[ . 1]" 1
503 1 41 LEU HG 1 87 PRO QG 4.100 . 4.600 4.526 4.047 4.828 0.228 7 0 "[ . 1]" 1
504 1 42 GLY H 1 43 ASN H 4.600 . 4.600 4.481 4.466 4.503 . 0 0 "[ . 1]" 1
505 1 42 GLY H 1 87 PRO QB 4.990 . 5.490 5.162 4.758 5.386 . 0 0 "[ . 1]" 1
506 1 42 GLY H 1 87 PRO QG 4.310 . 4.310 3.949 3.349 4.234 . 0 0 "[ . 1]" 1
507 1 42 GLY H 1 89 TYR QD 4.620 . 4.620 2.598 2.175 3.109 . 0 0 "[ . 1]" 1
508 1 42 GLY QA 1 87 PRO QB 5.570 . 5.570 5.495 5.150 5.687 0.117 2 0 "[ . 1]" 1
509 1 42 GLY QA 1 87 PRO QG 4.250 . 4.250 3.820 3.408 4.069 . 0 0 "[ . 1]" 1
510 1 42 GLY QA 1 89 TYR QE 5.330 . 5.330 4.096 3.453 4.850 . 0 0 "[ . 1]" 1
511 1 43 ASN H 1 46 GLN H 4.490 . 4.490 4.216 3.757 4.646 0.156 2 0 "[ . 1]" 1
512 1 43 ASN H 1 46 GLN QB 4.700 . 4.700 3.181 2.454 4.341 . 0 0 "[ . 1]" 1
513 1 44 PRO HA 1 46 GLN H 4.560 . 4.560 4.322 3.480 4.592 0.032 10 0 "[ . 1]" 1
514 1 44 PRO HA 1 48 GLY H 3.400 . 4.400 2.978 2.583 3.724 . 0 0 "[ . 1]" 1
515 1 44 PRO HA 1 48 GLY HA2 4.170 . 4.670 4.444 3.368 4.777 0.107 8 0 "[ . 1]" 1
516 1 44 PRO HA 1 48 GLY HA3 4.170 . 4.170 3.570 3.245 3.725 . 0 0 "[ . 1]" 1
517 1 44 PRO QB 1 48 GLY H 4.640 . 5.140 4.788 4.346 5.410 0.270 2 0 "[ . 1]" 1
518 1 44 PRO QD 1 45 ALA H 3.730 . 3.730 2.842 2.616 3.002 . 0 0 "[ . 1]" 1
519 1 44 PRO HD2 1 45 ALA H 4.250 . 4.250 2.902 2.663 3.076 . 0 0 "[ . 1]" 1
520 1 44 PRO HD3 1 45 ALA H 4.250 . 4.250 4.069 3.839 4.223 . 0 0 "[ . 1]" 1
521 1 44 PRO QG 1 45 ALA H 4.290 . 4.290 3.417 2.325 4.009 . 0 0 "[ . 1]" 1
522 1 45 ALA H 1 45 ALA MB 2.880 . 2.880 2.232 2.228 2.242 . 0 0 "[ . 1]" 1
523 1 45 ALA H 1 46 GLN HA 5.390 . 5.390 5.368 5.312 5.418 0.028 2 0 "[ . 1]" 1
524 1 45 ALA H 1 46 GLN QB 4.740 . 4.740 4.612 4.279 4.797 0.057 2 0 "[ . 1]" 1
525 1 45 ALA H 1 47 GLY H 4.970 . 4.970 4.492 3.869 4.945 . 0 0 "[ . 1]" 1
526 1 45 ALA MB 1 46 GLN H 3.530 . 3.530 2.567 2.402 3.563 0.033 9 0 "[ . 1]" 1
527 1 45 ALA MB 1 47 GLY H 5.210 . 5.210 4.675 4.030 5.181 . 0 0 "[ . 1]" 1
528 1 46 GLN H 1 46 GLN HB2 3.760 . 4.260 2.559 2.364 3.472 . 0 0 "[ . 1]" 1
529 1 46 GLN H 1 46 GLN HB3 3.760 . 3.760 3.264 2.564 3.616 . 0 0 "[ . 1]" 1
530 1 46 GLN H 1 47 GLY H 3.660 . 3.660 2.827 2.619 3.060 . 0 0 "[ . 1]" 1
531 1 46 GLN H 1 47 GLY QA 5.070 . 5.070 4.528 4.133 4.645 . 0 0 "[ . 1]" 1
532 1 46 GLN H 1 48 GLY H 3.630 . 5.130 4.604 3.503 5.181 0.051 10 0 "[ . 1]" 1
533 1 48 GLY H 1 49 VAL H 4.700 . 4.700 4.324 2.675 4.650 . 0 0 "[ . 1]" 1
534 1 48 GLY QA 1 49 VAL H 3.070 . 3.070 2.292 2.158 2.758 . 0 0 "[ . 1]" 1
535 1 48 GLY QA 1 49 VAL QG 4.530 . 4.530 3.441 3.254 3.727 . 0 0 "[ . 1]" 1
536 1 48 GLY QA 1 50 GLU H 5.810 . 5.810 5.342 4.927 5.561 . 0 0 "[ . 1]" 1
537 1 49 VAL H 1 49 VAL HB 3.520 . 3.520 2.959 2.593 3.263 . 0 0 "[ . 1]" 1
538 1 49 VAL H 1 49 VAL QG 3.490 . 3.490 2.244 2.067 2.504 . 0 0 "[ . 1]" 1
539 1 49 VAL H 1 50 GLU H 5.090 . 5.090 4.370 4.326 4.416 . 0 0 "[ . 1]" 1
540 1 49 VAL HA 1 49 VAL MG1 3.460 . 3.460 2.896 2.346 3.265 . 0 0 "[ . 1]" 1
541 1 49 VAL HA 1 49 VAL MG2 3.460 . 3.460 2.396 2.361 2.464 . 0 0 "[ . 1]" 1
542 1 49 VAL HA 1 50 GLU H 2.910 . 2.910 2.161 2.140 2.186 . 0 0 "[ . 1]" 1
543 1 49 VAL HB 1 50 GLU H 3.890 . 4.390 4.210 4.113 4.346 . 0 0 "[ . 1]" 1
544 1 49 VAL MG1 1 50 GLU H 4.950 . 4.950 3.523 2.822 3.972 . 0 0 "[ . 1]" 1
545 1 49 VAL MG2 1 50 GLU H 4.950 . 4.950 3.182 2.429 4.249 . 0 0 "[ . 1]" 1
546 1 50 GLU H 1 50 GLU QB 3.060 . 3.060 2.277 2.266 2.300 . 0 0 "[ . 1]" 1
547 1 50 GLU H 1 50 GLU QG 4.620 . 4.620 4.023 3.997 4.103 . 0 0 "[ . 1]" 1
548 1 50 GLU H 1 51 ILE H 5.670 . 5.670 4.557 4.416 4.594 . 0 0 "[ . 1]" 1
549 1 50 GLU H 1 51 ILE HA 6.000 . 6.000 5.463 5.346 5.510 . 0 0 "[ . 1]" 1
550 1 50 GLU HA 1 51 ILE QG 4.660 . 4.660 3.552 3.485 3.715 . 0 0 "[ . 1]" 1
551 1 50 GLU HA 1 51 ILE MG 5.390 . 5.890 5.516 5.492 5.553 . 0 0 "[ . 1]" 1
552 1 50 GLU HA 1 52 GLY H 4.140 . 4.140 3.968 3.876 4.071 . 0 0 "[ . 1]" 1
553 1 50 GLU QG 1 51 ILE H 4.450 . 4.450 2.755 2.522 3.176 . 0 0 "[ . 1]" 1
554 1 50 GLU QG 1 52 GLY H 3.300 . 3.300 2.752 2.400 3.210 . 0 0 "[ . 1]" 1
555 1 51 ILE H 1 51 ILE HB 4.190 . 4.190 2.571 2.528 2.594 . 0 0 "[ . 1]" 1
556 1 51 ILE H 1 51 ILE MD 4.460 . 4.460 3.687 3.596 3.756 . 0 0 "[ . 1]" 1
557 1 51 ILE H 1 51 ILE QG 4.340 . 4.340 2.410 2.271 2.499 . 0 0 "[ . 1]" 1
558 1 51 ILE H 1 51 ILE MG 4.190 . 4.190 3.857 3.838 3.865 . 0 0 "[ . 1]" 1
559 1 51 ILE H 1 52 GLY H 3.370 . 3.370 2.200 2.116 2.352 . 0 0 "[ . 1]" 1
560 1 51 ILE HA 1 51 ILE MD 4.320 . 4.320 3.894 3.875 3.914 . 0 0 "[ . 1]" 1
561 1 51 ILE HA 1 51 ILE MG 3.080 . 3.080 2.361 2.351 2.371 . 0 0 "[ . 1]" 1
562 1 51 ILE HA 1 71 TRP HD1 5.560 . 5.560 4.856 4.630 5.190 . 0 0 "[ . 1]" 1
563 1 51 ILE HB 1 51 ILE MD 3.480 . 3.480 2.361 2.354 2.366 . 0 0 "[ . 1]" 1
564 1 51 ILE HB 1 52 GLY H 4.340 . 4.340 2.593 2.496 2.747 . 0 0 "[ . 1]" 1
565 1 51 ILE HB 1 71 TRP HD1 4.070 . 5.070 4.869 4.788 5.022 . 0 0 "[ . 1]" 1
566 1 51 ILE MD 1 51 ILE MG 3.070 . 3.070 1.982 1.973 1.988 . 0 0 "[ . 1]" 1
567 1 51 ILE MD 1 52 GLY H 4.970 . 4.970 4.454 4.365 4.569 . 0 0 "[ . 1]" 1
568 1 51 ILE MD 1 71 TRP HB2 4.670 . 4.670 2.951 2.672 3.321 . 0 0 "[ . 1]" 1
569 1 51 ILE MD 1 71 TRP HB3 4.380 . 4.380 3.950 3.756 4.148 . 0 0 "[ . 1]" 1
570 1 51 ILE MD 1 71 TRP HD1 4.170 . 4.170 3.077 2.872 3.459 . 0 0 "[ . 1]" 1
571 1 51 ILE MD 1 71 TRP HE1 4.440 . 4.440 3.696 3.488 3.906 . 0 0 "[ . 1]" 1
572 1 51 ILE QG 1 52 GLY H 4.080 . 4.080 3.945 3.907 3.997 . 0 0 "[ . 1]" 1
573 1 51 ILE QG 1 52 GLY QA 5.120 . 5.120 5.250 5.236 5.266 0.146 8 0 "[ . 1]" 1
574 1 51 ILE MG 1 52 GLY H 4.290 . 4.290 3.579 3.520 3.684 . 0 0 "[ . 1]" 1
575 1 51 ILE MG 1 71 TRP HB3 3.980 . 3.980 3.912 3.788 3.962 . 0 0 "[ . 1]" 1
576 1 51 ILE MG 1 71 TRP HD1 3.410 . 3.410 2.213 2.176 2.321 . 0 0 "[ . 1]" 1
577 1 51 ILE MG 1 71 TRP HE1 3.680 . 3.680 3.823 3.565 4.058 0.378 6 0 "[ . 1]" 1
578 1 51 ILE MG 1 72 LYS H 5.710 . 5.710 4.406 4.325 4.481 . 0 0 "[ . 1]" 1
579 1 52 GLY H 1 53 ARG H 4.450 . 4.450 4.335 4.312 4.368 . 0 0 "[ . 1]" 1
580 1 52 GLY H 1 69 VAL QG 4.630 . 4.630 3.267 2.959 3.796 . 0 0 "[ . 1]" 1
581 1 52 GLY QA 1 53 ARG H 2.940 . 2.940 2.256 2.210 2.291 . 0 0 "[ . 1]" 1
582 1 53 ARG H 1 53 ARG QB 3.560 . 3.560 3.241 3.212 3.268 . 0 0 "[ . 1]" 1
583 1 53 ARG H 1 53 ARG QG 4.210 . 4.210 2.395 2.323 2.462 . 0 0 "[ . 1]" 1
584 1 53 ARG H 1 54 ASP H 4.340 . 4.340 4.384 4.371 4.396 0.056 2 0 "[ . 1]" 1
585 1 53 ARG H 1 54 ASP HA 4.960 . 4.960 4.884 4.854 4.948 . 0 0 "[ . 1]" 1
586 1 53 ARG HA 1 54 ASP H 3.060 . 3.060 2.367 2.320 2.430 . 0 0 "[ . 1]" 1
587 1 53 ARG HA 1 69 VAL HB 6.000 . 6.000 5.963 5.391 6.157 0.157 8 0 "[ . 1]" 1
588 1 53 ARG HA 1 69 VAL QG 4.010 . 4.010 3.095 2.766 3.264 . 0 0 "[ . 1]" 1
589 1 53 ARG QB 1 54 ASP H 3.650 . 3.650 2.415 2.300 2.489 . 0 0 "[ . 1]" 1
590 1 53 ARG QG 1 54 ASP HA 4.250 . 4.250 3.829 3.720 3.982 . 0 0 "[ . 1]" 1
591 1 53 ARG QG 1 55 THR H 4.430 . 4.930 4.729 4.533 4.950 0.020 4 0 "[ . 1]" 1
592 1 54 ASP H 1 54 ASP HB2 3.990 . 3.990 3.203 2.902 3.434 . 0 0 "[ . 1]" 1
593 1 54 ASP H 1 54 ASP HB3 3.990 . 3.990 3.393 2.878 3.978 . 0 0 "[ . 1]" 1
594 1 54 ASP H 1 55 THR H 4.350 . 4.350 3.949 3.876 4.017 . 0 0 "[ . 1]" 1
595 1 54 ASP H 1 67 ALA MB 4.370 . 4.370 3.803 3.269 4.113 . 0 0 "[ . 1]" 1
596 1 54 ASP HA 1 55 THR H 2.880 . 2.880 2.157 2.145 2.164 . 0 0 "[ . 1]" 1
597 1 54 ASP HA 1 55 THR MG 5.580 . 5.580 5.508 5.495 5.519 . 0 0 "[ . 1]" 1
598 1 54 ASP QB 1 55 THR H 4.110 . 4.110 3.724 3.403 3.918 . 0 0 "[ . 1]" 1
599 1 54 ASP QB 1 69 VAL QG 3.850 . 3.850 3.555 3.022 3.854 0.004 8 0 "[ . 1]" 1
600 1 54 ASP HB2 1 67 ALA MB 4.180 . 4.180 3.276 2.345 3.962 . 0 0 "[ . 1]" 1
601 1 54 ASP HB2 1 68 ARG H 4.040 . 4.040 3.704 3.238 4.138 0.098 4 0 "[ . 1]" 1
602 1 54 ASP HB3 1 67 ALA MB 4.180 . 4.680 3.099 2.407 4.475 . 0 0 "[ . 1]" 1
603 1 54 ASP HB3 1 68 ARG H 4.040 . 4.540 3.678 3.078 4.361 . 0 0 "[ . 1]" 1
604 1 55 THR H 1 55 THR HB 3.290 . 3.290 2.594 2.568 2.615 . 0 0 "[ . 1]" 1
605 1 55 THR H 1 55 THR MG 3.950 . 3.950 3.802 3.789 3.815 . 0 0 "[ . 1]" 1
606 1 55 THR H 1 56 ILE H 4.780 . 4.780 4.568 4.521 4.600 . 0 0 "[ . 1]" 1
607 1 55 THR HA 1 55 THR MG 3.330 . 3.330 2.348 2.342 2.356 . 0 0 "[ . 1]" 1
608 1 55 THR HA 1 56 ILE H 3.300 . 3.300 2.175 2.147 2.211 . 0 0 "[ . 1]" 1
609 1 55 THR HB 1 56 ILE H 4.960 . 4.960 4.071 3.983 4.151 . 0 0 "[ . 1]" 1
610 1 55 THR MG 1 56 ILE H 3.390 . 3.390 2.579 2.447 2.696 . 0 0 "[ . 1]" 1
611 1 56 ILE H 1 56 ILE HB 3.390 . 3.390 2.590 2.455 2.695 . 0 0 "[ . 1]" 1
612 1 56 ILE H 1 56 ILE MD 4.230 . 4.230 3.313 2.960 3.808 . 0 0 "[ . 1]" 1
613 1 56 ILE H 1 56 ILE QG 4.710 . 4.710 2.212 2.017 2.502 . 0 0 "[ . 1]" 1
614 1 56 ILE HA 1 56 ILE MD 4.270 . 4.270 3.097 2.267 3.939 . 0 0 "[ . 1]" 1
615 1 56 ILE HA 1 56 ILE MG 3.370 . 3.370 2.338 2.303 2.399 . 0 0 "[ . 1]" 1
616 1 56 ILE HA 1 57 SER H 2.930 . 2.930 2.254 2.198 2.308 . 0 0 "[ . 1]" 1
617 1 56 ILE HB 1 56 ILE MD 3.340 . 3.340 2.839 2.365 3.280 . 0 0 "[ . 1]" 1
618 1 56 ILE HB 1 57 SER H 4.110 . 4.110 3.875 3.801 3.953 . 0 0 "[ . 1]" 1
619 1 56 ILE HB 1 59 ILE MD 3.330 . 3.330 2.731 2.174 3.385 0.055 9 0 "[ . 1]" 1
620 1 56 ILE MD 1 65 GLY H 5.150 . 5.150 4.907 4.094 5.606 0.456 5 0 "[ . 1]" 1
621 1 56 ILE MD 1 65 GLY QA 4.170 . 4.170 2.767 2.137 3.310 . 0 0 "[ . 1]" 1
622 1 56 ILE MD 1 66 LEU H 4.470 . 4.470 2.731 1.950 3.327 . 0 0 "[ . 1]" 1
623 1 56 ILE MD 1 66 LEU HA 4.280 . 4.280 3.922 2.949 4.387 0.107 2 0 "[ . 1]" 1
624 1 56 ILE MD 1 67 ALA H 4.220 . 4.220 3.896 3.363 4.319 0.099 10 0 "[ . 1]" 1
625 1 56 ILE MD 1 67 ALA HA 4.610 . 4.610 3.520 3.003 4.022 . 0 0 "[ . 1]" 1
626 1 56 ILE MD 1 67 ALA MB 3.380 . 3.380 2.910 2.593 3.351 . 0 0 "[ . 1]" 1
627 1 56 ILE MG 1 57 SER H 3.590 . 3.590 2.274 2.111 2.446 . 0 0 "[ . 1]" 1
628 1 56 ILE MG 1 58 ARG H 3.290 . 3.290 2.182 1.913 2.912 . 0 0 "[ . 1]" 1
629 1 56 ILE MG 1 58 ARG HA 4.320 . 4.320 3.912 3.474 4.486 0.166 8 0 "[ . 1]" 1
630 1 56 ILE MG 1 59 ILE H 4.410 . 4.410 4.239 4.153 4.336 . 0 0 "[ . 1]" 1
631 1 56 ILE MG 1 65 GLY HA2 3.800 . 3.800 3.404 3.017 3.913 0.113 9 0 "[ . 1]" 1
632 1 56 ILE MG 1 65 GLY QA 3.280 . 3.280 3.068 2.800 3.332 0.052 3 0 "[ . 1]" 1
633 1 56 ILE MG 1 65 GLY HA3 3.800 . 3.800 3.517 3.193 3.851 0.051 3 0 "[ . 1]" 1
634 1 56 ILE MG 1 66 LEU H 3.910 . 3.910 3.638 3.142 4.305 0.395 9 0 "[ . 1]" 1
635 1 57 SER H 1 58 ARG H 3.650 . 3.650 2.633 2.283 2.765 . 0 0 "[ . 1]" 1
636 1 58 ARG H 1 58 ARG QB 3.350 . 3.350 3.035 2.218 3.420 0.070 9 0 "[ . 1]" 1
637 1 58 ARG H 1 58 ARG QD 4.860 . 5.360 4.660 4.092 5.351 . 0 0 "[ . 1]" 1
638 1 58 ARG H 1 58 ARG QG 3.870 . 4.370 3.219 2.549 4.241 . 0 0 "[ . 1]" 1
639 1 58 ARG H 1 59 ILE H 4.260 . 4.260 4.134 3.914 4.213 . 0 0 "[ . 1]" 1
640 1 58 ARG HA 1 59 ILE H 2.980 . 2.980 2.222 2.125 2.357 . 0 0 "[ . 1]" 1
641 1 58 ARG HA 1 59 ILE MD 4.070 . 5.070 4.914 4.744 5.472 0.402 7 0 "[ . 1]" 1
642 1 58 ARG QB 1 59 ILE H 3.750 . 3.750 3.323 2.834 4.053 0.303 7 0 "[ . 1]" 1
643 1 58 ARG QG 1 59 ILE H 3.510 . 4.010 3.728 2.527 4.117 0.107 4 0 "[ . 1]" 1
644 1 58 ARG QG 1 59 ILE HA 4.220 . 4.220 4.135 3.930 4.256 0.036 7 0 "[ . 1]" 1
645 1 59 ILE H 1 59 ILE HB 4.010 . 4.010 2.720 2.671 2.781 . 0 0 "[ . 1]" 1
646 1 59 ILE H 1 59 ILE MD 3.740 . 4.240 3.937 3.773 4.051 . 0 0 "[ . 1]" 1
647 1 59 ILE H 1 60 PRO QD 4.390 . 4.390 4.126 3.424 4.370 . 0 0 "[ . 1]" 1
648 1 59 ILE HA 1 59 ILE MD 4.000 . 4.000 3.695 2.209 3.905 . 0 0 "[ . 1]" 1
649 1 59 ILE HA 1 59 ILE MG 3.420 . 3.420 2.336 2.312 2.361 . 0 0 "[ . 1]" 1
650 1 59 ILE HA 1 60 PRO QD 3.380 . 3.380 2.149 2.113 2.210 . 0 0 "[ . 1]" 1
651 1 59 ILE HB 1 59 ILE MD 3.640 . 3.640 2.482 2.363 3.284 . 0 0 "[ . 1]" 1
652 1 59 ILE HB 1 60 PRO QD 5.170 . 5.170 4.322 4.157 4.524 . 0 0 "[ . 1]" 1
653 1 59 ILE MD 1 60 PRO QD 4.800 . 4.800 4.714 3.524 5.154 0.354 7 0 "[ . 1]" 1
654 1 59 ILE MD 1 65 GLY H 5.730 . 5.730 3.869 3.071 5.081 . 0 0 "[ . 1]" 1
655 1 59 ILE MD 1 65 GLY QA 3.930 . 3.930 2.717 2.244 3.363 . 0 0 "[ . 1]" 1
656 1 59 ILE MD 1 66 LEU H 4.860 . 5.360 4.888 3.990 5.422 0.062 10 0 "[ . 1]" 1
657 1 59 ILE MG 1 60 PRO QD 3.570 . 3.570 2.685 2.315 3.540 . 0 0 "[ . 1]" 1
658 1 59 ILE MG 1 63 GLY H 3.820 . 4.320 4.035 3.497 4.546 0.226 8 0 "[ . 1]" 1
659 1 59 ILE MG 1 64 THR H 4.110 . 4.110 3.722 3.018 4.527 0.417 8 0 "[ . 1]" 1
660 1 59 ILE MG 1 64 THR HA 3.960 . 3.960 3.254 2.874 3.933 . 0 0 "[ . 1]" 1
661 1 60 PRO HA 1 61 VAL H 3.050 . 3.050 2.378 2.332 2.429 . 0 0 "[ . 1]" 1
662 1 60 PRO QB 1 61 VAL H 3.580 . 3.580 2.675 2.566 2.770 . 0 0 "[ . 1]" 1
663 1 60 PRO QB 1 63 GLY H 5.500 . 5.500 4.637 4.358 4.926 . 0 0 "[ . 1]" 1
664 1 60 PRO QG 1 61 VAL H 4.730 . 4.730 4.162 4.093 4.241 . 0 0 "[ . 1]" 1
665 1 60 PRO QG 1 63 GLY H 4.630 . 4.630 3.907 3.784 4.168 . 0 0 "[ . 1]" 1
666 1 60 PRO QG 1 63 GLY HA2 3.730 . 4.230 3.913 3.794 4.003 . 0 0 "[ . 1]" 1
667 1 60 PRO QG 1 63 GLY HA3 5.530 . 5.530 2.506 2.420 2.726 . 0 0 "[ . 1]" 1
668 1 60 PRO QG 1 64 THR H 5.570 . 5.570 4.056 3.839 4.390 . 0 0 "[ . 1]" 1
669 1 61 VAL H 1 61 VAL HB 2.880 . 3.180 3.073 2.538 3.590 0.410 6 0 "[ . 1]" 1
670 1 61 VAL H 1 61 VAL QG 2.990 . 2.990 1.884 1.771 2.038 0.029 8 0 "[ . 1]" 1
671 1 61 VAL HA 1 61 VAL MG1 3.240 . 3.240 2.534 2.339 3.253 0.013 2 0 "[ . 1]" 1
672 1 61 VAL HA 1 61 VAL MG2 3.240 . 3.240 2.824 2.371 3.251 0.011 8 0 "[ . 1]" 1
673 1 61 VAL HA 1 62 GLY H 2.970 . 2.970 2.223 2.196 2.258 . 0 0 "[ . 1]" 1
674 1 61 VAL HA 1 62 GLY HA2 4.510 . 4.510 4.448 4.418 4.469 . 0 0 "[ . 1]" 1
675 1 61 VAL HA 1 62 GLY HA3 4.510 . 4.510 4.519 4.499 4.537 0.027 10 0 "[ . 1]" 1
676 1 61 VAL HA 1 63 GLY H 3.680 . 3.680 3.232 3.124 3.341 . 0 0 "[ . 1]" 1
677 1 61 VAL HB 1 62 GLY H 4.490 . 4.490 3.561 3.012 4.178 . 0 0 "[ . 1]" 1
678 1 61 VAL HB 1 63 GLY H 6.000 . 6.000 5.095 4.871 5.504 . 0 0 "[ . 1]" 1
679 1 61 VAL QG 1 62 GLY QA 4.850 . 4.850 3.364 2.931 3.732 . 0 0 "[ . 1]" 1
680 1 61 VAL QG 1 63 GLY H 5.340 . 5.340 4.158 3.820 4.425 . 0 0 "[ . 1]" 1
681 1 61 VAL MG1 1 62 GLY H 4.090 . 4.090 3.447 2.372 3.904 . 0 0 "[ . 1]" 1
682 1 61 VAL MG2 1 62 GLY H 4.090 . 4.090 3.656 2.333 4.056 . 0 0 "[ . 1]" 1
683 1 62 GLY H 1 63 GLY H 3.460 . 3.460 2.546 2.483 2.638 . 0 0 "[ . 1]" 1
684 1 63 GLY HA2 1 64 THR H 3.190 . 3.190 2.663 2.589 2.721 . 0 0 "[ . 1]" 1
685 1 63 GLY HA3 1 64 THR H 3.250 . 3.250 2.439 2.401 2.516 . 0 0 "[ . 1]" 1
686 1 64 THR H 1 64 THR HB 3.720 . 4.220 3.924 3.855 3.954 . 0 0 "[ . 1]" 1
687 1 64 THR H 1 64 THR MG 3.990 . 3.990 2.843 2.749 2.944 . 0 0 "[ . 1]" 1
688 1 64 THR H 1 65 GLY H 4.780 . 4.780 4.368 4.326 4.409 . 0 0 "[ . 1]" 1
689 1 64 THR HA 1 64 THR MG 3.490 . 3.490 2.481 2.427 2.541 . 0 0 "[ . 1]" 1
690 1 64 THR HA 1 65 GLY H 3.240 . 3.240 2.430 2.239 2.675 . 0 0 "[ . 1]" 1
691 1 64 THR HB 1 65 GLY H 3.890 . 3.890 2.434 1.972 2.854 . 0 0 "[ . 1]" 1
692 1 64 THR MG 1 65 GLY H 3.570 . 4.070 3.845 3.653 4.073 0.003 6 0 "[ . 1]" 1
693 1 65 GLY H 1 66 LEU H 4.770 . 4.770 4.430 3.965 4.577 . 0 0 "[ . 1]" 1
694 1 65 GLY H 1 66 LEU QD 5.800 . 5.800 5.026 3.263 6.006 0.206 7 0 "[ . 1]" 1
695 1 65 GLY QA 1 66 LEU H 2.970 . 2.970 2.183 2.151 2.219 . 0 0 "[ . 1]" 1
696 1 65 GLY HA2 1 66 LEU H 3.440 . 3.440 2.254 2.183 2.314 . 0 0 "[ . 1]" 1
697 1 65 GLY HA3 1 66 LEU H 3.440 . 3.440 2.947 2.850 3.253 . 0 0 "[ . 1]" 1
698 1 66 LEU H 1 66 LEU QB 3.140 . 3.140 2.681 2.533 3.142 0.002 9 0 "[ . 1]" 1
699 1 66 LEU H 1 66 LEU QD 4.360 . 4.360 3.752 2.444 4.078 . 0 0 "[ . 1]" 1
700 1 66 LEU H 1 67 ALA H 4.490 . 4.490 4.214 4.048 4.427 . 0 0 "[ . 1]" 1
701 1 66 LEU HA 1 66 LEU MD1 3.560 . 4.060 3.103 2.181 4.128 0.068 9 0 "[ . 1]" 1
702 1 66 LEU HA 1 66 LEU MD2 3.560 . 3.560 2.573 2.239 3.815 0.255 4 0 "[ . 1]" 1
703 1 66 LEU HA 1 67 ALA H 3.040 . 3.040 2.135 2.072 2.285 . 0 0 "[ . 1]" 1
704 1 66 LEU QB 1 66 LEU MD1 2.930 . 2.930 2.268 2.125 2.424 . 0 0 "[ . 1]" 1
705 1 66 LEU QB 1 66 LEU MD2 2.930 . 2.930 2.277 2.106 2.369 . 0 0 "[ . 1]" 1
706 1 66 LEU QB 1 67 ALA H 4.830 . 4.830 3.559 2.483 3.914 . 0 0 "[ . 1]" 1
707 1 66 LEU QD 1 67 ALA H 3.630 . 3.630 2.508 1.946 3.797 0.167 9 0 "[ . 1]" 1
708 1 67 ALA H 1 67 ALA MB 3.300 . 3.300 2.348 2.288 2.581 . 0 0 "[ . 1]" 1
709 1 67 ALA H 1 68 ARG H 4.770 . 4.770 4.499 4.379 4.552 . 0 0 "[ . 1]" 1
710 1 67 ALA HA 1 68 ARG H 3.050 . 3.050 2.287 2.262 2.324 . 0 0 "[ . 1]" 1
711 1 67 ALA MB 1 68 ARG H 3.620 . 3.620 2.578 2.461 2.653 . 0 0 "[ . 1]" 1
712 1 68 ARG H 1 68 ARG QD 4.620 . 5.120 4.941 4.270 5.169 0.049 3 0 "[ . 1]" 1
713 1 68 ARG H 1 68 ARG QG 4.320 . 4.320 3.946 2.270 4.156 . 0 0 "[ . 1]" 1
714 1 68 ARG H 1 69 VAL H 4.450 . 4.450 4.267 4.168 4.320 . 0 0 "[ . 1]" 1
715 1 68 ARG HA 1 68 ARG QD 4.280 . 4.280 4.099 3.998 4.299 0.019 6 0 "[ . 1]" 1
716 1 68 ARG HA 1 68 ARG QG 3.790 . 3.790 2.465 2.351 3.353 . 0 0 "[ . 1]" 1
717 1 68 ARG HA 1 69 VAL H 3.030 . 3.030 2.111 2.095 2.121 . 0 0 "[ . 1]" 1
718 1 68 ARG HA 1 69 VAL HB 6.000 . 6.000 4.770 4.624 5.697 . 0 0 "[ . 1]" 1
719 1 68 ARG HA 1 69 VAL QG 4.410 . 4.410 3.522 3.260 3.594 . 0 0 "[ . 1]" 1
720 1 68 ARG QB 1 68 ARG QD 3.350 . 3.350 2.300 2.155 2.366 . 0 0 "[ . 1]" 1
721 1 68 ARG QD 1 69 VAL H 5.350 . 5.350 4.941 4.836 5.376 0.026 6 0 "[ . 1]" 1
722 1 68 ARG QG 1 69 VAL H 3.990 . 3.990 3.023 2.841 4.209 0.219 6 0 "[ . 1]" 1
723 1 68 ARG QG 1 70 GLN H 5.400 . 5.400 4.739 4.388 5.531 0.131 6 0 "[ . 1]" 1
724 1 69 VAL H 1 69 VAL HB 3.960 . 3.960 2.939 2.790 3.855 . 0 0 "[ . 1]" 1
725 1 69 VAL H 1 69 VAL QG 3.380 . 3.380 2.728 2.197 2.812 . 0 0 "[ . 1]" 1
726 1 69 VAL H 1 70 GLN H 4.650 . 4.650 4.313 4.253 4.380 . 0 0 "[ . 1]" 1
727 1 69 VAL HA 1 70 GLN H 2.950 . 2.950 2.161 2.128 2.252 . 0 0 "[ . 1]" 1
728 1 69 VAL QG 1 70 GLN H 4.010 . 4.010 2.575 2.259 3.298 . 0 0 "[ . 1]" 1
729 1 70 GLN H 1 70 GLN QB 3.190 . 3.190 2.613 2.425 2.979 . 0 0 "[ . 1]" 1
730 1 70 GLN H 1 70 GLN HG2 4.070 . 4.070 3.190 1.913 4.248 0.178 9 0 "[ . 1]" 1
731 1 70 GLN H 1 70 GLN QG 3.430 . 3.430 2.560 1.888 3.490 0.060 9 0 "[ . 1]" 1
732 1 70 GLN H 1 70 GLN HG3 4.070 . 4.070 3.051 2.525 3.878 . 0 0 "[ . 1]" 1
733 1 70 GLN H 1 71 TRP H 4.910 . 4.910 4.509 4.442 4.557 . 0 0 "[ . 1]" 1
734 1 70 GLN HA 1 71 TRP H 3.080 . 3.080 2.185 2.168 2.205 . 0 0 "[ . 1]" 1
735 1 70 GLN QG 1 71 TRP H 4.660 . 4.660 4.134 4.025 4.603 . 0 0 "[ . 1]" 1
736 1 71 TRP H 1 71 TRP HB2 3.890 . 3.890 3.291 3.243 3.381 . 0 0 "[ . 1]" 1
737 1 71 TRP H 1 71 TRP HB3 4.040 . 4.040 2.836 2.790 2.882 . 0 0 "[ . 1]" 1
738 1 71 TRP H 1 72 LYS H 4.670 . 4.670 4.267 4.159 4.323 . 0 0 "[ . 1]" 1
739 1 71 TRP HA 1 71 TRP HD1 3.490 . 3.490 2.475 2.436 2.526 . 0 0 "[ . 1]" 1
740 1 71 TRP HA 1 71 TRP HE1 5.410 . 5.410 4.690 4.652 4.744 . 0 0 "[ . 1]" 1
741 1 71 TRP HA 1 72 LYS H 3.070 . 3.070 2.139 2.110 2.188 . 0 0 "[ . 1]" 1
742 1 71 TRP HB2 1 71 TRP HE3 4.070 . 4.070 3.888 3.858 3.927 . 0 0 "[ . 1]" 1
743 1 71 TRP HB2 1 72 LYS H 4.930 . 4.930 4.164 4.000 4.319 . 0 0 "[ . 1]" 1
744 1 71 TRP HB3 1 72 LYS H 4.570 . 4.570 4.106 3.944 4.274 . 0 0 "[ . 1]" 1
745 1 71 TRP HD1 1 72 LYS H 3.600 . 3.600 2.992 2.632 3.250 . 0 0 "[ . 1]" 1
746 1 71 TRP HE1 1 74 THR H 5.630 . 5.630 5.477 5.031 5.726 0.096 4 0 "[ . 1]" 1
747 1 71 TRP HE1 1 74 THR MG 3.890 . 3.890 3.897 3.463 4.026 0.136 5 0 "[ . 1]" 1
748 1 71 TRP HH2 1 73 ALA HA 4.740 . 4.740 3.360 2.912 3.674 . 0 0 "[ . 1]" 1
749 1 71 TRP HH2 1 74 THR H 4.350 . 4.350 3.558 3.039 4.199 . 0 0 "[ . 1]" 1
750 1 71 TRP HH2 1 86 VAL MG1 4.880 . 4.880 3.770 2.787 5.091 0.211 6 0 "[ . 1]" 1
751 1 71 TRP HH2 1 86 VAL QG 3.940 . 3.940 3.190 2.473 3.843 . 0 0 "[ . 1]" 1
752 1 71 TRP HH2 1 86 VAL MG2 4.880 . 4.880 4.173 2.478 5.004 0.124 7 0 "[ . 1]" 1
753 1 71 TRP HZ2 1 73 ALA HA 4.590 . 4.590 3.893 3.486 4.474 . 0 0 "[ . 1]" 1
754 1 71 TRP HZ2 1 74 THR H 3.760 . 3.760 3.642 3.356 3.883 0.123 10 0 "[ . 1]" 1
755 1 71 TRP HZ2 1 74 THR MG 3.670 . 3.670 3.374 2.414 3.714 0.044 8 0 "[ . 1]" 1
756 1 72 LYS H 1 72 LYS QB 3.390 . 3.390 2.358 2.302 2.452 . 0 0 "[ . 1]" 1
757 1 72 LYS H 1 72 LYS QG 4.510 . 4.510 4.041 4.011 4.088 . 0 0 "[ . 1]" 1
758 1 72 LYS H 1 73 ALA H 4.590 . 4.590 4.453 4.389 4.490 . 0 0 "[ . 1]" 1
759 1 72 LYS H 1 73 ALA HA 6.000 . 6.000 5.197 5.008 5.308 . 0 0 "[ . 1]" 1
760 1 72 LYS HA 1 73 ALA H 3.040 . 3.040 2.155 2.135 2.166 . 0 0 "[ . 1]" 1
761 1 72 LYS QB 1 73 ALA H 4.160 . 4.160 3.822 3.777 3.864 . 0 0 "[ . 1]" 1
762 1 72 LYS QG 1 73 ALA H 4.370 . 4.370 2.865 2.766 2.972 . 0 0 "[ . 1]" 1
763 1 73 ALA H 1 73 ALA MB 3.550 . 3.550 2.248 2.241 2.260 . 0 0 "[ . 1]" 1
764 1 73 ALA H 1 74 THR H 4.820 . 4.820 4.545 4.286 4.636 . 0 0 "[ . 1]" 1
765 1 73 ALA MB 1 74 THR H 3.010 . 3.510 3.100 2.782 3.523 0.013 3 0 "[ . 1]" 1
766 1 74 THR H 1 74 THR MG 3.730 . 3.730 2.462 1.865 2.756 . 0 0 "[ . 1]" 1
767 1 74 THR H 1 75 ARG H 4.890 . 4.890 4.295 3.906 4.468 . 0 0 "[ . 1]" 1
768 1 74 THR HA 1 75 ARG H 3.560 . 3.560 2.400 2.137 2.768 . 0 0 "[ . 1]" 1
769 1 74 THR HB 1 75 ARG H 4.530 . 4.530 3.497 1.947 4.236 . 0 0 "[ . 1]" 1
770 1 74 THR MG 1 75 ARG H 4.490 . 4.490 3.659 2.790 4.267 . 0 0 "[ . 1]" 1
771 1 75 ARG H 1 76 LYS H 3.650 . 4.650 3.014 1.628 4.386 0.172 1 0 "[ . 1]" 1
772 1 75 ARG H 1 76 LYS QB 3.730 . 5.230 4.593 3.658 5.284 0.054 6 0 "[ . 1]" 1
773 1 76 LYS H 1 76 LYS QB 3.270 . 3.270 2.567 2.207 2.923 . 0 0 "[ . 1]" 1
774 1 76 LYS H 1 76 LYS QE 4.930 . 6.230 5.484 4.197 6.462 0.232 3 0 "[ . 1]" 1
775 1 76 LYS H 1 76 LYS QG 4.410 . 4.710 3.468 1.915 4.232 . 0 0 "[ . 1]" 1
776 1 76 LYS HA 1 76 LYS QG 3.920 . 3.920 2.503 2.364 3.348 . 0 0 "[ . 1]" 1
777 1 76 LYS HA 1 77 LEU H 3.110 . 3.110 2.209 2.147 2.303 . 0 0 "[ . 1]" 1
778 1 76 LYS QB 1 76 LYS QE 4.150 . 4.150 3.662 3.306 3.893 . 0 0 "[ . 1]" 1
779 1 76 LYS QE 1 76 LYS QG 3.260 . 3.260 2.332 2.155 2.432 . 0 0 "[ . 1]" 1
780 1 76 LYS QG 1 77 LEU H 4.110 . 4.110 3.350 2.179 4.332 0.222 8 0 "[ . 1]" 1
781 1 76 LYS QG 1 77 LEU HA 4.960 . 5.460 4.768 3.479 5.938 0.478 8 0 "[ . 1]" 1
782 1 77 LEU H 1 77 LEU QB 3.430 . 3.430 2.819 2.284 3.247 . 0 0 "[ . 1]" 1
783 1 77 LEU H 1 77 LEU QD 4.090 . 4.090 2.955 1.831 4.191 0.101 9 0 "[ . 1]" 1
784 1 77 LEU H 1 78 ALA H 4.310 . 4.310 3.474 1.856 4.348 0.038 3 0 "[ . 1]" 1
785 1 77 LEU HA 1 77 LEU MD1 4.370 . 4.370 3.141 2.245 4.175 . 0 0 "[ . 1]" 1
786 1 77 LEU HA 1 77 LEU MD2 4.370 . 4.370 3.329 2.222 3.919 . 0 0 "[ . 1]" 1
787 1 77 LEU HA 1 78 ALA H 3.380 . 3.380 2.639 2.149 3.540 0.160 10 0 "[ . 1]" 1
788 1 77 LEU MD1 1 78 ALA H 5.670 . 5.670 4.198 3.391 5.070 . 0 0 "[ . 1]" 1
789 1 77 LEU MD2 1 78 ALA H 5.670 . 5.670 4.310 2.268 5.586 . 0 0 "[ . 1]" 1
790 1 78 ALA H 1 78 ALA MB 3.580 . 3.580 2.512 2.224 2.880 . 0 0 "[ . 1]" 1
791 1 78 ALA MB 1 79 GLY H 4.560 . 4.560 2.933 1.863 3.737 . 0 0 "[ . 1]" 1
792 1 79 GLY H 1 80 ARG H 4.900 . 4.900 3.887 2.658 4.625 . 0 0 "[ . 1]" 1
793 1 80 ARG H 1 80 ARG QG 4.480 . 4.480 2.815 1.913 4.109 . 0 0 "[ . 1]" 1
794 1 80 ARG H 1 81 ALA H 4.450 . 4.450 3.502 2.628 4.617 0.167 3 0 "[ . 1]" 1
795 1 80 ARG H 1 81 ALA MB 6.000 . 6.000 4.773 4.405 5.304 . 0 0 "[ . 1]" 1
796 1 80 ARG HA 1 80 ARG QG 3.690 . 3.690 2.559 2.374 3.346 . 0 0 "[ . 1]" 1
797 1 80 ARG QG 1 81 ALA H 4.890 . 4.890 3.874 2.441 4.484 . 0 0 "[ . 1]" 1
798 1 82 ALA H 1 82 ALA MB 3.380 . 3.380 2.468 2.205 2.844 . 0 0 "[ . 1]" 1
799 1 82 ALA MB 1 83 ASN H 3.710 . 3.710 2.868 1.851 3.726 0.016 5 0 "[ . 1]" 1
800 1 83 ASN H 1 83 ASN QB 3.620 . 3.620 2.910 2.577 3.400 . 0 0 "[ . 1]" 1
801 1 83 ASN H 1 84 PRO QD 4.530 . 4.530 3.492 2.328 4.502 . 0 0 "[ . 1]" 1
802 1 83 ASN HA 1 84 PRO QD 3.220 . 3.220 2.228 2.154 2.357 . 0 0 "[ . 1]" 1
803 1 83 ASN QB 1 84 PRO QD 3.920 . 3.920 3.386 2.401 3.926 0.006 10 0 "[ . 1]" 1
804 1 83 ASN HB2 1 84 PRO QD 4.460 . 4.460 3.956 2.514 4.429 . 0 0 "[ . 1]" 1
805 1 83 ASN HB3 1 84 PRO QD 4.460 . 4.460 3.869 2.430 4.476 0.016 10 0 "[ . 1]" 1
806 1 84 PRO QG 1 85 GLY H 4.590 . 4.590 2.644 1.725 4.171 0.075 1 0 "[ . 1]" 1
807 1 85 GLY H 1 86 VAL H 4.730 . 4.730 2.924 2.372 3.177 . 0 0 "[ . 1]" 1
808 1 85 GLY QA 1 86 VAL HB 5.400 . 5.900 5.168 4.176 5.530 . 0 0 "[ . 1]" 1
809 1 85 GLY QA 1 86 VAL QG 4.330 . 4.330 3.523 3.374 3.954 . 0 0 "[ . 1]" 1
810 1 86 VAL H 1 86 VAL HB 3.920 . 3.920 3.426 2.636 3.736 . 0 0 "[ . 1]" 1
811 1 86 VAL H 1 86 VAL QG 3.660 . 3.660 2.137 1.959 2.568 . 0 0 "[ . 1]" 1
812 1 86 VAL H 1 111 ILE MG 4.100 . 4.600 4.286 3.580 4.741 0.141 4 0 "[ . 1]" 1
813 1 86 VAL H 1 112 VAL H 4.020 . 5.020 4.620 3.688 5.176 0.156 3 0 "[ . 1]" 1
814 1 86 VAL H 1 112 VAL QG 4.360 . 4.860 4.681 3.823 5.107 0.247 7 0 "[ . 1]" 1
815 1 86 VAL QG 1 112 VAL H 5.070 . 5.070 4.008 3.094 4.890 . 0 0 "[ . 1]" 1
816 1 86 VAL QG 1 114 VAL H 4.940 . 4.940 4.548 3.788 5.045 0.105 5 0 "[ . 1]" 1
817 1 87 PRO HA 1 88 VAL H 3.370 . 3.370 2.399 2.198 2.667 . 0 0 "[ . 1]" 1
818 1 87 PRO HA 1 111 ILE HA 3.950 . 3.950 2.974 2.573 3.199 . 0 0 "[ . 1]" 1
819 1 87 PRO HA 1 111 ILE MD 4.000 . 4.000 3.857 3.267 4.100 0.100 8 0 "[ . 1]" 1
820 1 87 PRO HA 1 111 ILE MG 5.180 . 5.180 4.191 3.784 4.589 . 0 0 "[ . 1]" 1
821 1 87 PRO HA 1 112 VAL H 4.720 . 4.720 3.559 2.910 4.298 . 0 0 "[ . 1]" 1
822 1 87 PRO QB 1 88 VAL H 4.110 . 4.110 2.631 2.061 3.165 . 0 0 "[ . 1]" 1
823 1 87 PRO QB 1 89 TYR QE 3.650 . 3.650 2.626 2.466 2.933 . 0 0 "[ . 1]" 1
824 1 87 PRO QB 1 111 ILE MD 3.820 . 3.820 2.934 2.231 3.470 . 0 0 "[ . 1]" 1
825 1 87 PRO HB2 1 89 TYR QE 4.250 . 4.250 2.663 2.496 2.984 . 0 0 "[ . 1]" 1
826 1 87 PRO HD3 1 89 TYR QE 4.250 . 5.250 5.134 4.890 5.315 0.065 2 0 "[ . 1]" 1
827 1 88 VAL H 1 111 ILE HA 4.270 . 4.270 4.302 4.126 4.531 0.261 5 0 "[ . 1]" 1
828 1 88 VAL H 1 111 ILE MD 4.840 . 4.840 4.255 3.946 4.604 . 0 0 "[ . 1]" 1
829 1 88 VAL H 1 112 VAL H 5.690 . 5.690 5.206 4.649 5.928 0.238 6 0 "[ . 1]" 1
830 1 89 TYR H 1 89 TYR QB 3.660 . 3.660 2.688 2.378 2.823 . 0 0 "[ . 1]" 1
831 1 89 TYR H 1 89 TYR QD 4.560 . 4.560 3.272 3.070 3.548 . 0 0 "[ . 1]" 1
832 1 89 TYR HA 1 89 TYR QD 4.550 . 4.550 2.733 2.639 2.856 . 0 0 "[ . 1]" 1
833 1 89 TYR HA 1 90 ALA H 3.100 . 3.100 2.186 2.134 2.207 . 0 0 "[ . 1]" 1
834 1 89 TYR HA 1 90 ALA MB 4.160 . 4.160 3.855 3.828 3.888 . 0 0 "[ . 1]" 1
835 1 89 TYR HA 1 107 VAL QG 4.570 . 4.570 4.555 4.145 4.749 0.179 7 0 "[ . 1]" 1
836 1 89 TYR QB 1 90 ALA H 3.990 . 3.990 2.836 2.698 2.986 . 0 0 "[ . 1]" 1
837 1 89 TYR QB 1 107 VAL QG 4.260 . 4.260 4.225 3.756 4.407 0.147 6 0 "[ . 1]" 1
838 1 89 TYR QD 1 90 ALA H 5.200 . 5.200 3.694 3.377 3.896 . 0 0 "[ . 1]" 1
839 1 89 TYR QD 1 107 VAL QG 3.320 . 3.320 3.227 2.845 3.361 0.041 5 0 "[ . 1]" 1
840 1 89 TYR QE 1 107 VAL QG 4.080 . 4.080 3.903 3.375 4.198 0.118 2 0 "[ . 1]" 1
841 1 89 TYR QE 1 109 SER HB2 4.010 . 5.010 3.141 2.599 3.605 . 0 0 "[ . 1]" 1
842 1 89 TYR QE 1 109 SER HB3 4.010 . 4.010 3.243 2.757 3.661 . 0 0 "[ . 1]" 1
843 1 90 ALA H 1 90 ALA MB 3.430 . 3.430 2.631 2.592 2.666 . 0 0 "[ . 1]" 1
844 1 90 ALA H 1 108 PHE H 3.870 . 3.870 3.686 3.225 3.928 0.058 8 0 "[ . 1]" 1
845 1 90 ALA HA 1 91 VAL H 3.130 . 3.130 2.185 2.150 2.215 . 0 0 "[ . 1]" 1
846 1 90 ALA MB 1 91 VAL H 3.910 . 3.910 2.889 2.786 3.019 . 0 0 "[ . 1]" 1
847 1 90 ALA MB 1 108 PHE HB2 4.610 . 4.610 3.627 3.482 3.765 . 0 0 "[ . 1]" 1
848 1 90 ALA MB 1 108 PHE HB3 4.610 . 5.110 5.044 4.930 5.145 0.035 7 0 "[ . 1]" 1
849 1 90 ALA MB 1 108 PHE QD 4.160 . 4.160 4.085 3.899 4.194 0.034 10 0 "[ . 1]" 1
850 1 91 VAL H 1 91 VAL HB 3.690 . 3.690 2.806 2.745 2.869 . 0 0 "[ . 1]" 1
851 1 91 VAL H 1 91 VAL QG 3.460 . 3.460 2.775 2.735 2.831 . 0 0 "[ . 1]" 1
852 1 91 VAL H 1 92 VAL H 4.550 . 4.550 4.359 4.343 4.375 . 0 0 "[ . 1]" 1
853 1 91 VAL H 1 92 VAL HA 5.140 . 5.140 4.821 4.791 4.869 . 0 0 "[ . 1]" 1
854 1 91 VAL HA 1 92 VAL H 3.240 . 3.240 2.171 2.141 2.195 . 0 0 "[ . 1]" 1
855 1 91 VAL QG 1 92 VAL H 3.450 . 3.450 2.391 2.304 2.510 . 0 0 "[ . 1]" 1
856 1 92 VAL H 1 92 VAL HB 3.760 . 3.760 2.954 2.575 3.644 . 0 0 "[ . 1]" 1
857 1 92 VAL H 1 92 VAL MG1 3.810 . 3.810 2.665 1.908 3.831 0.021 1 0 "[ . 1]" 1
858 1 92 VAL H 1 92 VAL MG2 3.810 . 3.810 2.735 1.820 3.824 0.014 9 0 "[ . 1]" 1
859 1 92 VAL H 1 106 ASN QB 4.320 . 4.820 4.080 3.605 4.713 . 0 0 "[ . 1]" 1
860 1 92 VAL HA 1 92 VAL MG1 3.500 . 3.500 2.713 2.319 3.266 . 0 0 "[ . 1]" 1
861 1 92 VAL HA 1 92 VAL MG2 3.500 . 3.500 2.662 2.337 3.265 . 0 0 "[ . 1]" 1
862 1 92 VAL HA 1 93 ASP H 3.460 . 3.460 2.196 2.156 2.223 . 0 0 "[ . 1]" 1
863 1 92 VAL HB 1 93 ASP H 4.610 . 4.610 3.823 3.092 4.206 . 0 0 "[ . 1]" 1
864 1 92 VAL HB 1 106 ASN QB 4.490 . 4.490 4.335 3.507 4.681 0.191 3 0 "[ . 1]" 1
865 1 92 VAL QG 1 93 ASP H 3.870 . 3.870 2.778 2.310 3.554 . 0 0 "[ . 1]" 1
866 1 92 VAL QG 1 93 ASP QB 4.770 . 4.770 4.009 3.248 4.830 0.060 3 0 "[ . 1]" 1
867 1 92 VAL QG 1 106 ASN H 3.850 . 5.350 5.148 4.433 5.614 0.264 8 0 "[ . 1]" 1
868 1 93 ASP H 1 94 PRO QD 4.040 . 4.540 4.138 3.339 4.506 . 0 0 "[ . 1]" 1
869 1 93 ASP HA 1 94 PRO QD 3.560 . 3.560 2.210 2.169 2.285 . 0 0 "[ . 1]" 1
870 1 94 PRO HA 1 96 ASN H 4.480 . 4.480 3.928 3.293 4.490 0.010 8 0 "[ . 1]" 1
871 1 94 PRO QD 1 95 ASP H 4.520 . 5.020 4.722 2.504 5.035 0.015 7 0 "[ . 1]" 1
872 1 94 PRO QG 1 95 ASP H 4.700 . 4.700 4.151 1.841 4.692 . 0 0 "[ . 1]" 1
873 1 95 ASP H 1 95 ASP HB2 3.740 . 4.740 2.870 2.430 3.619 . 0 0 "[ . 1]" 1
874 1 95 ASP H 1 95 ASP HB3 3.740 . 3.740 2.810 2.529 3.599 . 0 0 "[ . 1]" 1
875 1 95 ASP H 1 96 ASN H 3.290 . 3.290 2.691 2.524 2.975 . 0 0 "[ . 1]" 1
876 1 95 ASP H 1 97 ARG H 4.940 . 4.940 4.412 3.167 5.095 0.155 8 0 "[ . 1]" 1
877 1 96 ASN H 1 96 ASN HB2 3.920 . 4.920 3.225 2.525 4.033 . 0 0 "[ . 1]" 1
878 1 96 ASN H 1 96 ASN HB3 3.920 . 3.920 3.515 2.889 3.931 0.011 1 0 "[ . 1]" 1
879 1 96 ASN H 1 97 ARG H 3.900 . 3.900 2.846 2.318 3.479 . 0 0 "[ . 1]" 1
880 1 96 ASN H 1 97 ARG QG 4.980 . 4.980 4.730 3.865 5.295 0.315 9 0 "[ . 1]" 1
881 1 96 ASN HA 1 97 ARG HA 4.770 . 5.270 4.586 4.404 4.779 . 0 0 "[ . 1]" 1
882 1 96 ASN HA 1 97 ARG QB 4.630 . 4.930 4.684 4.150 5.215 0.285 10 0 "[ . 1]" 1
883 1 96 ASN HA 1 97 ARG QG 4.150 . 4.150 3.762 3.323 4.450 0.300 10 0 "[ . 1]" 1
884 1 96 ASN HA 1 98 VAL H 4.060 . 5.060 4.803 3.504 5.336 0.276 7 0 "[ . 1]" 1
885 1 97 ARG HA 1 97 ARG QD 3.690 . 4.190 3.977 2.272 4.513 0.323 2 0 "[ . 1]" 1
886 1 97 ARG HA 1 97 ARG QG 3.830 . 3.830 2.645 2.412 3.345 . 0 0 "[ . 1]" 1
887 1 97 ARG HA 1 98 VAL H 3.240 . 3.740 2.782 2.223 3.551 . 0 0 "[ . 1]" 1
888 1 97 ARG HA 1 98 VAL HB 4.820 . 5.820 5.051 4.383 5.934 0.114 6 0 "[ . 1]" 1
889 1 97 ARG QB 1 98 VAL H 3.950 . 3.950 3.330 1.816 3.932 . 0 0 "[ . 1]" 1
890 1 97 ARG QG 1 98 VAL H 4.570 . 4.570 4.336 3.819 4.740 0.170 10 0 "[ . 1]" 1
891 1 98 VAL H 1 98 VAL HB 3.450 . 3.450 2.710 2.518 3.607 0.157 5 0 "[ . 1]" 1
892 1 98 VAL H 1 98 VAL MG1 3.430 . 3.930 3.480 1.931 3.999 0.069 5 0 "[ . 1]" 1
893 1 98 VAL HA 1 98 VAL MG1 3.310 . 3.310 2.550 2.355 3.248 . 0 0 "[ . 1]" 1
894 1 98 VAL HA 1 99 ALA H 3.250 . 3.750 2.745 2.112 3.585 . 0 0 "[ . 1]" 1
895 1 98 VAL HB 1 99 ALA H 3.640 . 4.140 3.474 1.881 4.414 0.274 5 0 "[ . 1]" 1
896 1 98 VAL MG1 1 99 ALA H 3.250 . 3.750 2.826 1.968 3.800 0.050 3 0 "[ . 1]" 1
897 1 98 VAL MG1 1 99 ALA HA 4.990 . 4.990 3.845 3.386 4.483 . 0 0 "[ . 1]" 1
898 1 98 VAL MG1 1 100 GLU H 4.970 . 5.470 4.761 2.835 5.661 0.191 2 0 "[ . 1]" 1
899 1 99 ALA H 1 99 ALA MB 3.060 . 3.060 2.792 2.234 3.004 . 0 0 "[ . 1]" 1
900 1 99 ALA H 1 102 ASP QB 4.840 . 4.840 4.026 2.287 5.184 0.344 6 0 "[ . 1]" 1
901 1 99 ALA HA 1 100 GLU H 2.910 . 3.410 2.405 2.163 3.334 . 0 0 "[ . 1]" 1
902 1 99 ALA MB 1 100 GLU H 3.180 . 3.680 2.859 1.997 3.524 . 0 0 "[ . 1]" 1
903 1 99 ALA MB 1 100 GLU HA 4.150 . 4.650 4.387 4.061 4.542 . 0 0 "[ . 1]" 1
904 1 99 ALA MB 1 102 ASP QB 4.240 . 4.240 2.653 2.061 3.425 . 0 0 "[ . 1]" 1
905 1 100 GLU H 1 100 GLU QB 3.350 . 3.350 2.371 2.231 2.482 . 0 0 "[ . 1]" 1
906 1 100 GLU H 1 100 GLU QG 3.680 . 4.180 3.023 2.072 4.105 . 0 0 "[ . 1]" 1
907 1 100 GLU H 1 101 SER H 3.920 . 3.920 2.797 2.597 2.958 . 0 0 "[ . 1]" 1
908 1 100 GLU HA 1 100 GLU QG 3.560 . 3.560 2.507 2.388 2.883 . 0 0 "[ . 1]" 1
909 1 100 GLU QB 1 101 SER H 4.280 . 4.280 2.465 2.032 3.608 . 0 0 "[ . 1]" 1
910 1 100 GLU QG 1 101 SER H 4.660 . 4.660 3.902 3.225 4.804 0.144 5 0 "[ . 1]" 1
911 1 101 SER H 1 101 SER QB 3.680 . 3.680 2.366 2.273 2.646 . 0 0 "[ . 1]" 1
912 1 101 SER QB 1 102 ASP H 4.100 . 4.100 2.766 2.219 3.482 . 0 0 "[ . 1]" 1
913 1 102 ASP H 1 102 ASP QB 3.410 . 3.410 2.322 2.222 2.505 . 0 0 "[ . 1]" 1
914 1 102 ASP QB 1 103 LYS H 4.220 . 4.220 2.240 1.938 2.716 . 0 0 "[ . 1]" 1
915 1 102 ASP QB 1 104 ALA H 4.730 . 5.230 4.693 4.328 5.215 . 0 0 "[ . 1]" 1
916 1 103 LYS H 1 103 LYS QD 5.450 . 5.450 4.279 3.628 4.909 . 0 0 "[ . 1]" 1
917 1 103 LYS H 1 103 LYS QE 5.020 . 5.520 4.737 4.040 5.944 0.424 6 0 "[ . 1]" 1
918 1 103 LYS HA 1 106 ASN H 5.830 . 5.830 4.011 3.347 5.068 . 0 0 "[ . 1]" 1
919 1 103 LYS QB 1 104 ALA H 3.980 . 3.980 2.414 2.146 2.642 . 0 0 "[ . 1]" 1
920 1 103 LYS QD 1 104 ALA H 5.710 . 5.710 4.673 4.066 5.210 . 0 0 "[ . 1]" 1
921 1 104 ALA H 1 104 ALA MB 3.080 . 3.080 2.240 2.226 2.254 . 0 0 "[ . 1]" 1
922 1 104 ALA MB 1 105 ASN H 4.090 . 4.090 3.060 2.461 3.359 . 0 0 "[ . 1]" 1
923 1 104 ALA MB 1 107 VAL H 4.750 . 5.750 5.277 5.123 5.522 . 0 0 "[ . 1]" 1
924 1 105 ASN H 1 107 VAL H 5.090 . 5.090 4.767 4.196 5.277 0.187 5 0 "[ . 1]" 1
925 1 106 ASN H 1 107 VAL H 3.290 . 3.790 2.725 1.998 3.348 . 0 0 "[ . 1]" 1
926 1 106 ASN H 1 107 VAL HB 5.410 . 5.410 4.380 3.640 5.224 . 0 0 "[ . 1]" 1
927 1 106 ASN H 1 107 VAL QG 4.990 . 4.990 3.295 2.414 4.465 . 0 0 "[ . 1]" 1
928 1 106 ASN HA 1 107 VAL H 3.500 . 3.500 2.789 2.691 3.010 . 0 0 "[ . 1]" 1
929 1 107 VAL H 1 107 VAL HB 3.540 . 3.540 2.747 2.543 3.001 . 0 0 "[ . 1]" 1
930 1 107 VAL H 1 107 VAL QG 3.500 . 3.500 2.197 1.942 2.461 . 0 0 "[ . 1]" 1
931 1 107 VAL H 1 108 PHE H 4.470 . 4.470 4.472 4.220 4.510 0.040 10 0 "[ . 1]" 1
932 1 107 VAL HA 1 107 VAL MG1 3.650 . 3.650 2.812 2.336 3.270 . 0 0 "[ . 1]" 1
933 1 107 VAL HA 1 107 VAL QG 3.060 . 3.060 2.215 2.124 2.317 . 0 0 "[ . 1]" 1
934 1 107 VAL HA 1 107 VAL MG2 3.650 . 3.650 2.384 2.338 2.442 . 0 0 "[ . 1]" 1
935 1 107 VAL HA 1 108 PHE H 3.300 . 3.300 2.173 2.139 2.209 . 0 0 "[ . 1]" 1
936 1 107 VAL HB 1 108 PHE H 4.870 . 4.870 4.145 3.979 4.412 . 0 0 "[ . 1]" 1
937 1 107 VAL QG 1 108 PHE H 3.590 . 3.590 2.536 2.281 3.181 . 0 0 "[ . 1]" 1
938 1 107 VAL QG 1 109 SER H 5.110 . 5.110 4.395 4.133 4.498 . 0 0 "[ . 1]" 1
939 1 108 PHE H 1 109 SER H 4.670 . 4.670 4.347 4.276 4.437 . 0 0 "[ . 1]" 1
940 1 108 PHE HA 1 108 PHE QD 3.950 . 3.950 2.444 2.411 2.491 . 0 0 "[ . 1]" 1
941 1 108 PHE HA 1 109 SER H 3.070 . 3.070 2.196 2.142 2.262 . 0 0 "[ . 1]" 1
942 1 108 PHE HB2 1 109 SER H 3.970 . 3.970 3.933 3.776 4.151 0.181 8 0 "[ . 1]" 1
943 1 108 PHE HB3 1 109 SER H 3.970 . 3.970 2.978 2.728 3.282 . 0 0 "[ . 1]" 1
944 1 108 PHE QD 1 109 SER H 5.190 . 5.190 3.896 3.774 3.997 . 0 0 "[ . 1]" 1
945 1 109 SER HA 1 110 ARG H 3.150 . 3.150 2.218 2.171 2.248 . 0 0 "[ . 1]" 1
946 1 109 SER HB2 1 110 ARG H 4.330 . 5.330 3.781 2.846 4.060 . 0 0 "[ . 1]" 1
947 1 109 SER HB3 1 110 ARG H 4.330 . 4.330 3.701 2.877 4.153 . 0 0 "[ . 1]" 1
948 1 110 ARG H 1 110 ARG QG 4.240 . 4.240 3.581 2.206 4.194 . 0 0 "[ . 1]" 1
949 1 110 ARG HA 1 111 ILE H 3.070 . 3.070 2.162 2.117 2.270 . 0 0 "[ . 1]" 1
950 1 110 ARG QD 1 111 ILE HA 5.940 . 5.940 6.102 5.970 6.268 0.328 5 0 "[ . 1]" 1
951 1 110 ARG QD 1 112 VAL MG1 4.970 . 4.970 4.191 2.821 5.116 0.146 5 0 "[ . 1]" 1
952 1 110 ARG QD 1 112 VAL QG 4.010 . 4.010 3.464 2.808 4.185 0.175 10 0 "[ . 1]" 1
953 1 110 ARG QD 1 112 VAL MG2 4.970 . 4.970 4.419 3.038 5.286 0.316 6 0 "[ . 1]" 1
954 1 110 ARG QG 1 111 ILE H 3.490 . 3.490 3.021 2.648 3.773 0.283 1 0 "[ . 1]" 1
955 1 110 ARG QG 1 111 ILE HB 3.770 . 5.270 4.666 4.188 5.559 0.289 1 0 "[ . 1]" 1
956 1 110 ARG QG 1 111 ILE MD 4.890 . 4.890 4.269 3.782 4.854 . 0 0 "[ . 1]" 1
957 1 111 ILE H 1 111 ILE HB 3.160 . 3.160 2.465 2.326 2.637 . 0 0 "[ . 1]" 1
958 1 111 ILE H 1 111 ILE MD 4.390 . 4.390 2.241 1.853 2.987 . 0 0 "[ . 1]" 1
959 1 111 ILE H 1 111 ILE QG 3.880 . 3.880 3.019 2.079 3.512 . 0 0 "[ . 1]" 1
960 1 111 ILE H 1 112 VAL H 4.940 . 4.940 4.487 4.239 4.557 . 0 0 "[ . 1]" 1
961 1 111 ILE HA 1 111 ILE MD 3.620 . 3.620 2.647 2.222 3.027 . 0 0 "[ . 1]" 1
962 1 111 ILE HA 1 111 ILE MG 3.570 . 3.570 2.446 2.335 2.565 . 0 0 "[ . 1]" 1
963 1 111 ILE HA 1 112 VAL H 3.470 . 3.470 2.170 2.138 2.223 . 0 0 "[ . 1]" 1
964 1 111 ILE MD 1 112 VAL H 4.640 . 4.640 4.423 3.907 4.746 0.106 6 0 "[ . 1]" 1
965 1 111 ILE QG 1 112 VAL H 5.690 . 5.690 4.311 3.929 4.942 . 0 0 "[ . 1]" 1
966 1 111 ILE MG 1 112 VAL H 4.050 . 4.050 2.719 2.258 3.363 . 0 0 "[ . 1]" 1
967 1 111 ILE MG 1 113 LYS H 5.140 . 5.140 4.368 3.703 5.004 . 0 0 "[ . 1]" 1
968 1 111 ILE MG 1 113 LYS QE 5.150 . 5.150 3.674 2.333 5.437 0.287 9 0 "[ . 1]" 1
969 1 112 VAL H 1 112 VAL HB 4.000 . 4.000 3.253 2.620 3.875 . 0 0 "[ . 1]" 1
970 1 112 VAL H 1 112 VAL MG1 4.210 . 4.210 3.201 2.252 3.948 . 0 0 "[ . 1]" 1
971 1 112 VAL H 1 112 VAL QG 3.640 . 3.640 2.227 1.782 2.711 0.018 3 0 "[ . 1]" 1
972 1 112 VAL H 1 112 VAL MG2 4.210 . 4.210 2.592 1.833 4.014 . 0 0 "[ . 1]" 1
973 1 112 VAL HA 1 112 VAL MG1 3.300 . 3.300 2.525 2.328 3.260 . 0 0 "[ . 1]" 1
974 1 112 VAL HA 1 112 VAL MG2 3.300 . 3.300 2.755 2.360 3.244 . 0 0 "[ . 1]" 1
975 1 112 VAL HA 1 113 LYS H 3.370 . 3.370 2.178 2.160 2.214 . 0 0 "[ . 1]" 1
976 1 112 VAL HB 1 113 LYS H 4.850 . 4.850 3.715 2.968 4.409 . 0 0 "[ . 1]" 1
977 1 112 VAL QG 1 113 LYS H 3.860 . 3.860 2.994 2.381 3.463 . 0 0 "[ . 1]" 1
978 1 113 LYS H 1 113 LYS QB 3.580 . 3.580 2.535 2.400 2.695 . 0 0 "[ . 1]" 1
979 1 113 LYS H 1 113 LYS QD 5.310 . 5.310 4.421 3.900 5.157 . 0 0 "[ . 1]" 1
980 1 113 LYS H 1 114 VAL H 4.830 . 4.830 4.372 4.078 4.551 . 0 0 "[ . 1]" 1
981 1 113 LYS HA 1 114 VAL H 3.190 . 3.190 2.178 2.114 2.267 . 0 0 "[ . 1]" 1
982 1 113 LYS QB 1 113 LYS QE 4.230 . 4.230 3.359 2.183 3.706 . 0 0 "[ . 1]" 1
983 1 113 LYS QB 1 114 VAL H 3.470 . 3.970 3.287 2.618 3.796 . 0 0 "[ . 1]" 1
984 1 113 LYS QB 1 114 VAL HA 3.680 . 4.680 4.424 4.194 4.668 . 0 0 "[ . 1]" 1
985 1 114 VAL H 1 114 VAL HB 3.980 . 3.980 3.326 2.717 3.800 . 0 0 "[ . 1]" 1
986 1 114 VAL H 1 114 VAL MG1 4.440 . 4.440 2.590 1.920 3.942 . 0 0 "[ . 1]" 1
987 1 114 VAL H 1 114 VAL QG 3.480 . 3.480 2.038 1.806 2.669 . 0 0 "[ . 1]" 1
988 1 114 VAL H 1 114 VAL MG2 4.440 . 4.440 2.805 1.847 3.932 . 0 0 "[ . 1]" 1
989 1 114 VAL HA 1 115 LEU H 3.290 . 3.290 2.150 2.132 2.184 . 0 0 "[ . 1]" 1
990 1 114 VAL QG 1 115 LEU H 4.490 . 4.490 3.043 2.509 3.543 . 0 0 "[ . 1]" 1
991 1 115 LEU H 1 115 LEU HB2 3.930 . 4.930 2.738 2.266 3.897 . 0 0 "[ . 1]" 1
992 1 115 LEU H 1 115 LEU HB3 3.930 . 3.930 3.400 2.699 3.785 . 0 0 "[ . 1]" 1
993 1 115 LEU H 1 115 LEU QD 5.070 . 5.070 3.023 2.174 4.159 . 0 0 "[ . 1]" 1
994 1 115 LEU H 1 115 LEU HG 5.130 . 5.130 3.759 2.295 4.695 . 0 0 "[ . 1]" 1
995 1 115 LEU HA 1 115 LEU QD 3.600 . 3.600 2.413 2.110 3.459 . 0 0 "[ . 1]" 1
996 1 115 LEU HA 1 116 GLU H 3.420 . 3.420 2.214 2.113 2.518 . 0 0 "[ . 1]" 1
997 1 115 LEU QB 1 116 GLU H 3.620 . 3.620 3.163 2.054 3.698 0.078 6 0 "[ . 1]" 1
998 1 115 LEU HB2 1 116 GLU H 4.210 . 5.210 4.003 2.069 4.356 . 0 0 "[ . 1]" 1
999 1 115 LEU HB3 1 116 GLU H 4.210 . 4.210 3.468 2.195 4.039 . 0 0 "[ . 1]" 1
1000 1 115 LEU QD 1 116 GLU H 4.130 . 4.130 3.438 3.146 4.125 . 0 0 "[ . 1]" 1
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