NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
483221 |
1wf7   |
11199 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wf7
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 1401
_Distance_constraint_stats_list.Viol_count 1950
_Distance_constraint_stats_list.Viol_total 4777.668
_Distance_constraint_stats_list.Viol_max 1.232
_Distance_constraint_stats_list.Viol_rms 0.0566
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0085
_Distance_constraint_stats_list.Viol_average_violations_only 0.1225
_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 6 SER 0.330 0.093 15 0 "[ . 1 . 2]"
1 7 GLY 0.947 0.158 15 0 "[ . 1 . 2]"
1 8 SER 2.318 0.158 15 0 "[ . 1 . 2]"
1 9 VAL 15.634 0.908 13 18 "[************+**** -]"
1 10 SER 0.526 0.113 18 0 "[ . 1 . 2]"
1 11 LEU 1.681 0.065 18 0 "[ . 1 . 2]"
1 12 VAL 0.809 0.050 16 0 "[ . 1 . 2]"
1 13 GLY 3.501 0.103 19 0 "[ . 1 . 2]"
1 14 PRO 10.228 0.389 13 0 "[ . 1 . 2]"
1 15 ALA 16.065 0.526 15 10 "[ *-* ** +** **]"
1 16 PRO 0.928 0.070 2 0 "[ . 1 . 2]"
1 17 TRP 26.662 0.528 9 11 "[ *-* +** *** **]"
1 18 GLY 3.030 0.444 1 0 "[ . 1 . 2]"
1 19 PHE 1.724 0.226 12 0 "[ . 1 . 2]"
1 20 ARG 1.569 0.064 5 0 "[ . 1 . 2]"
1 21 LEU 8.436 0.701 3 2 "[- + . 1 . 2]"
1 22 GLN 5.029 0.726 3 3 "[- + . 1 .* 2]"
1 23 GLY 9.090 0.394 7 0 "[ . 1 . 2]"
1 24 GLY 0.678 0.053 7 0 "[ . 1 . 2]"
1 25 LYS 0.579 0.145 8 0 "[ . 1 . 2]"
1 26 ASP 1.294 0.489 17 0 "[ . 1 . 2]"
1 27 PHE 6.441 0.425 6 0 "[ . 1 . 2]"
1 28 ASN 0.323 0.077 3 0 "[ . 1 . 2]"
1 29 MET 14.329 0.425 6 0 "[ . 1 . 2]"
1 30 PRO 0.105 0.044 17 0 "[ . 1 . 2]"
1 31 LEU 0.685 0.054 15 0 "[ . 1 . 2]"
1 32 THR 8.830 0.487 1 0 "[ . 1 . 2]"
1 33 ILE 0.932 0.052 3 0 "[ . 1 . 2]"
1 34 SER 6.720 0.726 3 3 "[- + . 1 .* 2]"
1 35 SER 3.101 0.199 20 0 "[ . 1 . 2]"
1 36 LEU 14.117 0.851 6 6 "[* -.+** 1 * . 2]"
1 37 LYS 1.114 0.444 1 0 "[ . 1 . 2]"
1 38 ASP 0.673 0.308 8 0 "[ . 1 . 2]"
1 39 GLY 0.673 0.308 8 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LYS 10.228 0.882 17 6 "[ * *-* *. + 2]"
1 42 ALA 0.631 0.118 3 0 "[ . 1 . 2]"
1 43 SER 7.787 0.851 6 6 "[* -.+** 1 * . 2]"
1 44 GLN 12.703 0.882 17 5 "[ * * * -. + 2]"
1 45 ALA 1.707 0.177 3 0 "[ . 1 . 2]"
1 46 HIS 0.834 0.078 20 0 "[ . 1 . 2]"
1 47 VAL 1.721 0.118 3 0 "[ . 1 . 2]"
1 48 ARG 18.022 0.791 4 9 "[ * +- * **** * 2]"
1 49 ILE 7.740 0.634 5 1 "[ + 1 . 2]"
1 50 GLY 3.755 0.129 8 0 "[ . 1 . 2]"
1 51 ASP 0.828 0.064 15 0 "[ . 1 . 2]"
1 52 VAL 6.683 0.654 5 3 "[ * + -1 . 2]"
1 53 VAL 2.123 0.066 14 0 "[ . 1 . 2]"
1 54 LEU 0.450 0.033 3 0 "[ . 1 . 2]"
1 55 SER 2.332 0.277 1 0 "[ . 1 . 2]"
1 56 ILE 34.288 1.232 15 20 [**************+-****]
1 57 ASP 0.267 0.051 9 0 "[ . 1 . 2]"
1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ILE 7.714 0.426 4 0 "[ . 1 . 2]"
1 60 SER 3.680 0.426 4 0 "[ . 1 . 2]"
1 61 ALA 1.772 0.307 4 0 "[ . 1 . 2]"
1 62 GLN 0.306 0.037 15 0 "[ . 1 . 2]"
1 63 GLY 0.145 0.030 18 0 "[ . 1 . 2]"
1 64 MET 18.761 1.232 15 20 [**************+****-]
1 65 THR 2.281 0.489 17 0 "[ . 1 . 2]"
1 66 HIS 1.008 0.049 19 0 "[ . 1 . 2]"
1 67 LEU 4.975 0.291 19 0 "[ . 1 . 2]"
1 68 GLU 3.416 0.235 12 0 "[ . 1 . 2]"
1 69 ALA 2.315 0.235 12 0 "[ . 1 . 2]"
1 70 GLN 1.985 0.086 6 0 "[ . 1 . 2]"
1 71 ASN 1.175 0.067 14 0 "[ . 1 . 2]"
1 72 LYS 7.272 0.375 15 0 "[ . 1 . 2]"
1 73 ILE 3.308 0.103 9 0 "[ . 1 . 2]"
1 74 LYS 1.852 0.229 20 0 "[ . 1 . 2]"
1 75 ALA 1.001 0.130 11 0 "[ . 1 . 2]"
1 76 CYS 1.870 0.153 15 0 "[ . 1 . 2]"
1 77 THR 1.406 0.113 3 0 "[ . 1 . 2]"
1 78 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 SER 8.971 0.936 5 7 "[ * + * * .- * *]"
1 80 LEU 3.331 0.153 15 0 "[ . 1 . 2]"
1 81 ASN 15.678 0.936 5 7 "[ * + * * .- * *]"
1 82 MET 34.508 1.027 9 20 [********+**********-]
1 83 THR 0.914 0.155 20 0 "[ . 1 . 2]"
1 84 LEU 2.956 0.085 18 0 "[ . 1 . 2]"
1 85 GLN 6.748 0.654 5 3 "[ * + -1 . 2]"
1 86 ARG 4.724 0.419 8 0 "[ . 1 . 2]"
1 87 ALA 3.781 0.405 12 0 "[ . 1 . 2]"
1 88 SER 0.873 0.419 8 0 "[ . 1 . 2]"
1 89 ALA 0.045 0.039 1 0 "[ . 1 . 2]"
1 90 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ALA 0.847 0.326 17 0 "[ . 1 . 2]"
1 92 LYS 1.165 0.326 17 0 "[ . 1 . 2]"
1 93 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 GLU 3.408 0.557 14 1 "[ . 1 +. 2]"
1 95 PRO 3.408 0.557 14 1 "[ . 1 +. 2]"
1 96 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 GLY 0.074 0.074 15 0 "[ . 1 . 2]"
1 100 PRO 0.074 0.074 15 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 6 SER HA 1 7 GLY H . . 3.530 2.815 2.485 3.623 0.093 15 0 "[ . 1 . 2]" 1
2 1 6 SER QB 1 7 GLY H . . 3.790 2.317 1.871 3.293 . 0 0 "[ . 1 . 2]" 1
3 1 6 SER QB 1 83 THR MG . . 3.670 2.836 2.040 3.410 . 0 0 "[ . 1 . 2]" 1
4 1 7 GLY H 1 8 SER H . . 4.160 4.046 3.372 4.142 . 0 0 "[ . 1 . 2]" 1
5 1 7 GLY H 1 83 THR MG . . 4.800 2.403 1.946 2.738 . 0 0 "[ . 1 . 2]" 1
6 1 7 GLY H 1 84 LEU H . . 4.290 3.426 2.824 4.253 . 0 0 "[ . 1 . 2]" 1
7 1 7 GLY HA2 1 8 SER H . . 3.510 2.254 2.203 2.311 . 0 0 "[ . 1 . 2]" 1
8 1 7 GLY HA2 1 83 THR MG . . 5.040 3.593 3.385 3.897 . 0 0 "[ . 1 . 2]" 1
9 1 7 GLY HA3 1 8 SER H . . 3.290 3.128 2.997 3.448 0.158 15 0 "[ . 1 . 2]" 1
10 1 7 GLY HA3 1 83 THR MG . . 4.660 4.133 3.801 4.428 . 0 0 "[ . 1 . 2]" 1
11 1 7 GLY HA3 1 84 LEU H . . 4.830 4.750 3.831 4.876 0.046 7 0 "[ . 1 . 2]" 1
12 1 8 SER H 1 8 SER HB2 . . 3.640 3.222 2.223 3.654 0.014 15 0 "[ . 1 . 2]" 1
13 1 8 SER H 1 8 SER HB3 . . 3.540 2.953 2.389 3.690 0.150 12 0 "[ . 1 . 2]" 1
14 1 8 SER H 1 9 VAL H . . 4.740 4.581 4.552 4.612 . 0 0 "[ . 1 . 2]" 1
15 1 8 SER H 1 9 VAL QG . . 5.380 5.035 4.490 5.205 . 0 0 "[ . 1 . 2]" 1
16 1 8 SER H 1 83 THR MG . . 4.900 3.458 3.281 3.627 . 0 0 "[ . 1 . 2]" 1
17 1 8 SER HA 1 9 VAL H . . 2.910 2.441 2.340 2.569 . 0 0 "[ . 1 . 2]" 1
18 1 8 SER HA 1 83 THR HA . . 3.300 1.992 1.972 2.003 . 0 0 "[ . 1 . 2]" 1
19 1 8 SER HA 1 83 THR MG . . 3.480 2.577 2.306 2.804 . 0 0 "[ . 1 . 2]" 1
20 1 8 SER HA 1 84 LEU H . . 3.370 3.395 3.174 3.455 0.085 18 0 "[ . 1 . 2]" 1
21 1 8 SER HB2 1 9 VAL H . . 3.710 3.144 2.443 3.839 0.129 20 0 "[ . 1 . 2]" 1
22 1 8 SER HB3 1 9 VAL H . . 3.810 3.584 2.353 3.855 0.045 2 0 "[ . 1 . 2]" 1
23 1 8 SER HB3 1 83 THR MG . . 4.110 3.371 2.636 4.265 0.155 20 0 "[ . 1 . 2]" 1
24 1 9 VAL H 1 9 VAL HB . . 4.010 3.361 3.160 3.535 . 0 0 "[ . 1 . 2]" 1
25 1 9 VAL H 1 9 VAL QG . . 3.400 2.039 1.881 2.210 . 0 0 "[ . 1 . 2]" 1
26 1 9 VAL H 1 81 ASN HA . . 5.060 4.132 3.922 4.364 . 0 0 "[ . 1 . 2]" 1
27 1 9 VAL H 1 82 MET H . . 3.710 2.926 2.671 3.073 . 0 0 "[ . 1 . 2]" 1
28 1 9 VAL H 1 82 MET HB2 . . 5.500 4.564 4.246 4.781 . 0 0 "[ . 1 . 2]" 1
29 1 9 VAL H 1 83 THR HA . . 3.470 3.493 3.414 3.534 0.064 18 0 "[ . 1 . 2]" 1
30 1 9 VAL H 1 83 THR MG . . 4.850 4.669 4.491 4.810 . 0 0 "[ . 1 . 2]" 1
31 1 9 VAL HA 1 10 SER H . . 2.870 2.461 2.365 2.497 . 0 0 "[ . 1 . 2]" 1
32 1 9 VAL HA 1 10 SER HB2 . . 4.620 4.362 4.179 4.489 . 0 0 "[ . 1 . 2]" 1
33 1 9 VAL HA 1 10 SER HB3 . . 4.890 4.471 4.352 4.679 . 0 0 "[ . 1 . 2]" 1
34 1 9 VAL HB 1 10 SER H . . 3.660 3.640 2.909 3.719 0.059 20 0 "[ . 1 . 2]" 1
35 1 9 VAL HB 1 45 ALA MB . . 3.910 3.407 2.944 3.697 . 0 0 "[ . 1 . 2]" 1
36 1 9 VAL HB 1 82 MET H . . 4.820 5.460 3.878 5.728 0.908 13 18 "[************+**** -]" 1
37 1 9 VAL QG 1 10 SER H . . 4.060 1.888 1.797 2.295 . 0 0 "[ . 1 . 2]" 1
38 1 9 VAL QG 1 10 SER HA . . 4.160 3.244 3.132 4.273 0.113 18 0 "[ . 1 . 2]" 1
39 1 9 VAL QG 1 10 SER HB2 . . 5.030 4.299 4.169 4.800 . 0 0 "[ . 1 . 2]" 1
40 1 9 VAL QG 1 45 ALA HA . . 4.350 3.760 3.397 4.036 . 0 0 "[ . 1 . 2]" 1
41 1 9 VAL QG 1 45 ALA MB . . 2.750 1.837 1.705 2.011 . 0 0 "[ . 1 . 2]" 1
42 1 9 VAL QG 1 81 ASN HA . . 4.680 3.967 3.691 4.546 . 0 0 "[ . 1 . 2]" 1
43 1 9 VAL QG 1 82 MET H . . 3.830 2.741 2.393 3.115 . 0 0 "[ . 1 . 2]" 1
44 1 9 VAL QG 1 82 MET HB2 . . 3.470 3.199 2.921 3.430 . 0 0 "[ . 1 . 2]" 1
45 1 9 VAL QG 1 82 MET ME . . 3.500 3.322 2.993 3.453 . 0 0 "[ . 1 . 2]" 1
46 1 9 VAL QG 1 82 MET QG . . 4.440 4.063 3.925 4.209 . 0 0 "[ . 1 . 2]" 1
47 1 10 SER H 1 10 SER HB2 . . 3.530 3.232 3.079 3.352 . 0 0 "[ . 1 . 2]" 1
48 1 10 SER H 1 10 SER HB3 . . 3.430 2.681 2.559 2.808 . 0 0 "[ . 1 . 2]" 1
49 1 10 SER H 1 11 LEU H . . 4.840 4.248 4.090 4.368 . 0 0 "[ . 1 . 2]" 1
50 1 10 SER H 1 11 LEU MD2 . . 3.940 3.428 3.100 3.653 . 0 0 "[ . 1 . 2]" 1
51 1 10 SER H 1 45 ALA MB . . 4.740 3.810 3.361 4.492 . 0 0 "[ . 1 . 2]" 1
52 1 10 SER HA 1 11 LEU H . . 3.010 2.231 2.215 2.278 . 0 0 "[ . 1 . 2]" 1
53 1 10 SER HA 1 81 ASN HA . . 3.200 2.837 2.465 3.060 . 0 0 "[ . 1 . 2]" 1
54 1 10 SER HA 1 82 MET H . . 4.400 4.117 3.874 4.365 . 0 0 "[ . 1 . 2]" 1
55 1 10 SER HB2 1 11 LEU H . . 4.410 4.300 4.150 4.427 0.017 18 0 "[ . 1 . 2]" 1
56 1 10 SER HB3 1 11 LEU H . . 4.410 4.324 4.110 4.419 0.009 18 0 "[ . 1 . 2]" 1
57 1 11 LEU H 1 11 LEU HB2 . . 3.680 2.630 2.386 2.834 . 0 0 "[ . 1 . 2]" 1
58 1 11 LEU H 1 11 LEU HB3 . . 4.130 3.717 3.601 3.802 . 0 0 "[ . 1 . 2]" 1
59 1 11 LEU H 1 11 LEU MD1 . . 4.380 4.008 3.754 4.233 . 0 0 "[ . 1 . 2]" 1
60 1 11 LEU H 1 11 LEU MD2 . . 4.140 3.411 3.144 3.578 . 0 0 "[ . 1 . 2]" 1
61 1 11 LEU H 1 11 LEU HG . . 3.580 2.733 2.356 3.046 . 0 0 "[ . 1 . 2]" 1
62 1 11 LEU H 1 12 VAL H . . 5.320 4.516 4.456 4.565 . 0 0 "[ . 1 . 2]" 1
63 1 11 LEU H 1 80 LEU H . . 3.900 2.329 2.124 2.564 . 0 0 "[ . 1 . 2]" 1
64 1 11 LEU H 1 80 LEU HB2 . . 5.320 4.148 3.913 4.438 . 0 0 "[ . 1 . 2]" 1
65 1 11 LEU H 1 80 LEU HB3 . . 4.580 3.113 2.671 3.380 . 0 0 "[ . 1 . 2]" 1
66 1 11 LEU H 1 80 LEU MD2 . . 5.500 4.823 4.490 5.085 . 0 0 "[ . 1 . 2]" 1
67 1 11 LEU H 1 81 ASN HA . . 4.230 4.093 3.739 4.221 . 0 0 "[ . 1 . 2]" 1
68 1 11 LEU H 1 82 MET H . . 5.360 5.210 4.857 5.330 . 0 0 "[ . 1 . 2]" 1
69 1 11 LEU HA 1 11 LEU MD2 . . 3.110 2.108 1.896 2.305 . 0 0 "[ . 1 . 2]" 1
70 1 11 LEU HA 1 12 VAL H . . 3.060 2.325 2.282 2.370 . 0 0 "[ . 1 . 2]" 1
71 1 11 LEU HA 1 12 VAL HB . . 4.660 4.414 4.352 4.451 . 0 0 "[ . 1 . 2]" 1
72 1 11 LEU HA 1 12 VAL QG . . 4.100 3.536 3.457 3.648 . 0 0 "[ . 1 . 2]" 1
73 1 11 LEU HB2 1 11 LEU MD1 . . 3.390 2.375 2.181 2.561 . 0 0 "[ . 1 . 2]" 1
74 1 11 LEU HB2 1 12 VAL H . . 4.390 3.839 3.589 4.038 . 0 0 "[ . 1 . 2]" 1
75 1 11 LEU HB2 1 17 TRP HE3 . . 3.690 2.442 2.216 2.839 . 0 0 "[ . 1 . 2]" 1
76 1 11 LEU HB2 1 17 TRP HZ3 . . 4.130 3.419 3.127 3.688 . 0 0 "[ . 1 . 2]" 1
77 1 11 LEU HB2 1 80 LEU H . . 4.210 2.998 2.777 3.219 . 0 0 "[ . 1 . 2]" 1
78 1 11 LEU HB2 1 80 LEU HB2 . . 4.150 3.121 2.982 3.368 . 0 0 "[ . 1 . 2]" 1
79 1 11 LEU HB2 1 80 LEU HB3 . . 3.710 2.430 2.064 2.722 . 0 0 "[ . 1 . 2]" 1
80 1 11 LEU HB2 1 80 LEU MD2 . . 4.050 3.568 3.259 3.765 . 0 0 "[ . 1 . 2]" 1
81 1 11 LEU HB3 1 12 VAL H . . 4.070 2.851 2.773 2.954 . 0 0 "[ . 1 . 2]" 1
82 1 11 LEU HB3 1 17 TRP HE3 . . 3.810 2.242 1.970 2.540 . 0 0 "[ . 1 . 2]" 1
83 1 11 LEU HB3 1 17 TRP HZ3 . . 4.280 4.064 3.809 4.311 0.031 4 0 "[ . 1 . 2]" 1
84 1 11 LEU HB3 1 41 LYS HB3 . . 4.310 2.858 2.343 3.437 . 0 0 "[ . 1 . 2]" 1
85 1 11 LEU HB3 1 80 LEU H . . 4.870 4.406 4.112 4.627 . 0 0 "[ . 1 . 2]" 1
86 1 11 LEU HB3 1 80 LEU HB2 . . 4.630 4.683 4.668 4.695 0.065 18 0 "[ . 1 . 2]" 1
87 1 11 LEU HB3 1 80 LEU HB3 . . 4.360 4.117 3.805 4.377 0.017 15 0 "[ . 1 . 2]" 1
88 1 11 LEU MD1 1 17 TRP HA . . 4.520 4.033 3.664 4.458 . 0 0 "[ . 1 . 2]" 1
89 1 11 LEU MD1 1 17 TRP HB2 . . 4.170 2.500 2.216 2.894 . 0 0 "[ . 1 . 2]" 1
90 1 11 LEU MD1 1 17 TRP HB3 . . 3.700 2.030 1.809 2.535 . 0 0 "[ . 1 . 2]" 1
91 1 11 LEU MD1 1 17 TRP HE3 . . 3.710 3.399 3.292 3.496 . 0 0 "[ . 1 . 2]" 1
92 1 11 LEU MD1 1 17 TRP HZ3 . . 5.130 4.990 4.607 5.154 0.024 2 0 "[ . 1 . 2]" 1
93 1 11 LEU MD1 1 19 PHE QE . . 3.730 1.902 1.801 2.022 . 0 0 "[ . 1 . 2]" 1
94 1 11 LEU MD1 1 41 LYS HB2 . . 4.240 3.372 2.748 3.871 . 0 0 "[ . 1 . 2]" 1
95 1 11 LEU MD1 1 41 LYS HB3 . . 3.700 3.605 3.182 3.742 0.042 5 0 "[ . 1 . 2]" 1
96 1 11 LEU MD1 1 42 ALA H . . 4.410 3.138 2.659 3.616 . 0 0 "[ . 1 . 2]" 1
97 1 11 LEU MD1 1 42 ALA HA . . 3.650 2.717 2.056 3.369 . 0 0 "[ . 1 . 2]" 1
98 1 11 LEU MD1 1 80 LEU H . . 4.940 4.698 4.110 4.919 . 0 0 "[ . 1 . 2]" 1
99 1 11 LEU MD1 1 80 LEU HB2 . . 4.910 3.932 3.126 4.498 . 0 0 "[ . 1 . 2]" 1
100 1 11 LEU MD1 1 80 LEU HB3 . . 4.350 2.981 2.317 3.481 . 0 0 "[ . 1 . 2]" 1
101 1 11 LEU MD1 1 80 LEU MD2 . . 3.450 2.584 1.962 3.156 . 0 0 "[ . 1 . 2]" 1
102 1 11 LEU MD2 1 12 VAL H . . 4.100 3.680 3.390 3.968 . 0 0 "[ . 1 . 2]" 1
103 1 11 LEU MD2 1 17 TRP HB2 . . 4.900 4.651 4.355 4.932 0.032 8 0 "[ . 1 . 2]" 1
104 1 11 LEU MD2 1 17 TRP HB3 . . 4.470 3.761 3.473 4.044 . 0 0 "[ . 1 . 2]" 1
105 1 11 LEU MD2 1 17 TRP HE3 . . 4.470 4.345 4.208 4.515 0.045 15 0 "[ . 1 . 2]" 1
106 1 11 LEU MD2 1 41 LYS HA . . 4.800 3.989 3.588 4.529 . 0 0 "[ . 1 . 2]" 1
107 1 11 LEU MD2 1 41 LYS HB2 . . 4.060 3.260 2.808 3.730 . 0 0 "[ . 1 . 2]" 1
108 1 11 LEU MD2 1 41 LYS HB3 . . 3.630 2.331 1.969 2.716 . 0 0 "[ . 1 . 2]" 1
109 1 11 LEU MD2 1 42 ALA H . . 4.530 3.375 2.541 3.780 . 0 0 "[ . 1 . 2]" 1
110 1 11 LEU MD2 1 42 ALA HA . . 3.030 2.270 1.912 2.756 . 0 0 "[ . 1 . 2]" 1
111 1 11 LEU MD2 1 45 ALA H . . 4.120 3.832 3.479 4.121 0.001 1 0 "[ . 1 . 2]" 1
112 1 11 LEU MD2 1 45 ALA MB . . 2.700 2.164 1.794 2.492 . 0 0 "[ . 1 . 2]" 1
113 1 11 LEU HG 1 12 VAL H . . 5.180 5.169 5.111 5.205 0.025 13 0 "[ . 1 . 2]" 1
114 1 11 LEU HG 1 80 LEU HB3 . . 4.550 3.194 2.740 3.552 . 0 0 "[ . 1 . 2]" 1
115 1 11 LEU HG 1 80 LEU MD2 . . 4.590 3.960 3.447 4.529 . 0 0 "[ . 1 . 2]" 1
116 1 12 VAL H 1 12 VAL HB . . 3.190 2.810 2.459 3.114 . 0 0 "[ . 1 . 2]" 1
117 1 12 VAL H 1 12 VAL QG . . 3.180 2.351 1.898 2.804 . 0 0 "[ . 1 . 2]" 1
118 1 12 VAL H 1 13 GLY H . . 5.010 4.150 4.133 4.177 . 0 0 "[ . 1 . 2]" 1
119 1 12 VAL H 1 17 TRP HZ3 . . 5.240 4.022 3.918 4.118 . 0 0 "[ . 1 . 2]" 1
120 1 12 VAL HA 1 12 VAL QG . . 3.210 2.215 2.053 2.406 . 0 0 "[ . 1 . 2]" 1
121 1 12 VAL HA 1 13 GLY H . . 2.800 2.198 2.195 2.200 . 0 0 "[ . 1 . 2]" 1
122 1 12 VAL HA 1 79 SER HA . . 3.600 2.698 2.426 3.091 . 0 0 "[ . 1 . 2]" 1
123 1 12 VAL HA 1 79 SER HB2 . . 4.260 4.157 3.894 4.309 0.049 4 0 "[ . 1 . 2]" 1
124 1 12 VAL HA 1 79 SER HB3 . . 3.840 3.080 2.679 3.318 . 0 0 "[ . 1 . 2]" 1
125 1 12 VAL HA 1 80 LEU H . . 4.880 4.068 3.887 4.377 . 0 0 "[ . 1 . 2]" 1
126 1 12 VAL HB 1 13 GLY H . . 4.470 4.475 4.422 4.520 0.050 16 0 "[ . 1 . 2]" 1
127 1 12 VAL QG 1 13 GLY H . . 3.480 3.048 2.964 3.154 . 0 0 "[ . 1 . 2]" 1
128 1 12 VAL QG 1 13 GLY QA . . 4.410 3.253 3.156 3.363 . 0 0 "[ . 1 . 2]" 1
129 1 13 GLY H 1 14 PRO HA . . 4.830 4.631 4.607 4.641 . 0 0 "[ . 1 . 2]" 1
130 1 13 GLY H 1 17 TRP HH2 . . 4.010 3.554 3.402 3.717 . 0 0 "[ . 1 . 2]" 1
131 1 13 GLY H 1 17 TRP HZ3 . . 4.480 1.954 1.927 2.074 . 0 0 "[ . 1 . 2]" 1
132 1 13 GLY QA 1 14 PRO QB . . 4.310 4.349 4.348 4.350 0.040 1 0 "[ . 1 . 2]" 1
133 1 13 GLY QA 1 15 ALA H . . 4.140 2.863 2.849 2.876 . 0 0 "[ . 1 . 2]" 1
134 1 13 GLY QA 1 15 ALA HA . . 4.820 4.889 4.871 4.905 0.085 19 0 "[ . 1 . 2]" 1
135 1 13 GLY QA 1 17 TRP HZ3 . . 3.550 3.593 3.501 3.653 0.103 19 0 "[ . 1 . 2]" 1
136 1 14 PRO HA 1 15 ALA H . . 3.190 3.298 3.287 3.307 0.117 13 0 "[ . 1 . 2]" 1
137 1 14 PRO HA 1 15 ALA MB . . 4.500 4.023 4.017 4.028 . 0 0 "[ . 1 . 2]" 1
138 1 14 PRO HA 1 16 PRO QD . . 4.820 4.001 3.988 4.011 . 0 0 "[ . 1 . 2]" 1
139 1 14 PRO HA 1 17 TRP HH2 . . 4.630 4.995 4.967 5.019 0.389 13 0 "[ . 1 . 2]" 1
140 1 14 PRO QB 1 15 ALA MB . . 4.610 3.230 3.225 3.238 . 0 0 "[ . 1 . 2]" 1
141 1 14 PRO QB 1 16 PRO QD . . 3.720 3.135 3.097 3.168 . 0 0 "[ . 1 . 2]" 1
142 1 14 PRO HG2 1 15 ALA H . . 5.190 3.690 3.659 3.730 . 0 0 "[ . 1 . 2]" 1
143 1 14 PRO HG2 1 16 PRO QD . . 2.890 2.385 2.345 2.426 . 0 0 "[ . 1 . 2]" 1
144 1 14 PRO HG3 1 15 ALA H . . 5.180 4.641 4.620 4.668 . 0 0 "[ . 1 . 2]" 1
145 1 15 ALA H 1 15 ALA MB . . 2.910 2.996 2.993 2.998 0.088 13 0 "[ . 1 . 2]" 1
146 1 15 ALA H 1 16 PRO HA . . 5.150 4.482 4.478 4.484 . 0 0 "[ . 1 . 2]" 1
147 1 15 ALA H 1 16 PRO QD . . 5.320 1.878 1.868 1.889 . 0 0 "[ . 1 . 2]" 1
148 1 15 ALA H 1 16 PRO HG2 . . 5.370 4.066 4.057 4.076 . 0 0 "[ . 1 . 2]" 1
149 1 15 ALA H 1 17 TRP HZ2 . . 4.940 4.803 4.730 4.904 . 0 0 "[ . 1 . 2]" 1
150 1 15 ALA HA 1 17 TRP H . . 4.610 4.385 4.334 4.462 . 0 0 "[ . 1 . 2]" 1
151 1 15 ALA MB 1 16 PRO HB3 . . 4.540 4.281 4.273 4.290 . 0 0 "[ . 1 . 2]" 1
152 1 15 ALA MB 1 16 PRO QD . . 4.310 1.891 1.888 1.895 . 0 0 "[ . 1 . 2]" 1
153 1 15 ALA MB 1 16 PRO HG2 . . 4.690 4.390 4.383 4.400 . 0 0 "[ . 1 . 2]" 1
154 1 15 ALA MB 1 17 TRP H . . 4.590 4.633 4.606 4.673 0.083 13 0 "[ . 1 . 2]" 1
155 1 15 ALA MB 1 17 TRP HE1 . . 4.700 4.158 4.088 4.301 . 0 0 "[ . 1 . 2]" 1
156 1 15 ALA MB 1 17 TRP HZ2 . . 4.040 4.538 4.495 4.566 0.526 15 10 "[ *-* ** +** **]" 1
157 1 16 PRO HA 1 17 TRP H . . 3.220 2.374 2.349 2.391 . 0 0 "[ . 1 . 2]" 1
158 1 16 PRO HA 1 17 TRP HD1 . . 4.760 4.162 4.111 4.262 . 0 0 "[ . 1 . 2]" 1
159 1 16 PRO HA 1 18 GLY H . . 4.840 3.042 3.025 3.079 . 0 0 "[ . 1 . 2]" 1
160 1 16 PRO HB2 1 17 TRP H . . 4.440 4.369 4.349 4.381 . 0 0 "[ . 1 . 2]" 1
161 1 16 PRO HB2 1 18 GLY H . . 4.130 4.176 4.146 4.200 0.070 2 0 "[ . 1 . 2]" 1
162 1 16 PRO HB3 1 17 TRP H . . 4.630 4.581 4.558 4.594 . 0 0 "[ . 1 . 2]" 1
163 1 17 TRP H 1 17 TRP HB2 . . 4.090 2.793 2.781 2.808 . 0 0 "[ . 1 . 2]" 1
164 1 17 TRP H 1 17 TRP HD1 . . 4.310 2.332 2.295 2.428 . 0 0 "[ . 1 . 2]" 1
165 1 17 TRP H 1 18 GLY H . . 4.120 2.434 2.376 2.495 . 0 0 "[ . 1 . 2]" 1
166 1 17 TRP H 1 19 PHE H . . 5.230 3.658 3.530 3.784 . 0 0 "[ . 1 . 2]" 1
167 1 17 TRP HA 1 17 TRP HE3 . . 3.450 3.074 2.977 3.121 . 0 0 "[ . 1 . 2]" 1
168 1 17 TRP HA 1 41 LYS HB2 . . 4.080 3.151 2.848 3.344 . 0 0 "[ . 1 . 2]" 1
169 1 17 TRP HA 1 41 LYS HB3 . . 4.590 4.506 4.264 4.633 0.043 15 0 "[ . 1 . 2]" 1
170 1 17 TRP HA 1 41 LYS HD2 . . 4.580 3.186 2.187 4.648 0.068 8 0 "[ . 1 . 2]" 1
171 1 17 TRP HB2 1 17 TRP HD1 . . 3.520 2.729 2.705 2.742 . 0 0 "[ . 1 . 2]" 1
172 1 17 TRP HB2 1 18 GLY H . . 4.660 3.183 3.108 3.242 . 0 0 "[ . 1 . 2]" 1
173 1 17 TRP HB2 1 19 PHE QE . . 3.610 2.671 2.368 2.932 . 0 0 "[ . 1 . 2]" 1
174 1 17 TRP HB2 1 80 LEU MD2 . . 4.790 4.078 3.787 4.350 . 0 0 "[ . 1 . 2]" 1
175 1 17 TRP HB3 1 18 GLY H . . 4.780 4.309 4.266 4.343 . 0 0 "[ . 1 . 2]" 1
176 1 17 TRP HB3 1 19 PHE QD . . 3.760 3.080 2.903 3.224 . 0 0 "[ . 1 . 2]" 1
177 1 17 TRP HB3 1 19 PHE QE . . 3.420 3.238 2.938 3.456 0.036 1 0 "[ . 1 . 2]" 1
178 1 17 TRP HB3 1 80 LEU MD2 . . 4.440 4.197 3.840 4.475 0.035 11 0 "[ . 1 . 2]" 1
179 1 17 TRP HD1 1 73 ILE MG . . 3.200 3.268 3.222 3.303 0.103 9 0 "[ . 1 . 2]" 1
180 1 17 TRP HD1 1 80 LEU MD2 . . 4.440 3.267 3.014 3.433 . 0 0 "[ . 1 . 2]" 1
181 1 17 TRP HE1 1 73 ILE MG . . 3.740 1.775 1.725 1.948 . 0 0 "[ . 1 . 2]" 1
182 1 17 TRP HE1 1 76 CYS QB . . 4.500 4.246 3.689 4.546 0.046 15 0 "[ . 1 . 2]" 1
183 1 17 TRP HE1 1 80 LEU MD2 . . 4.790 2.489 2.116 2.897 . 0 0 "[ . 1 . 2]" 1
184 1 17 TRP HE3 1 41 LYS HB2 . . 4.310 4.121 3.783 4.351 0.041 8 0 "[ . 1 . 2]" 1
185 1 17 TRP HE3 1 41 LYS HB3 . . 4.210 4.373 4.075 4.738 0.528 9 1 "[ . +1 . 2]" 1
186 1 17 TRP HE3 1 41 LYS HD2 . . 4.400 4.339 3.910 4.446 0.046 16 0 "[ . 1 . 2]" 1
187 1 17 TRP HE3 1 41 LYS HD3 . . 4.550 4.041 3.263 4.249 . 0 0 "[ . 1 . 2]" 1
188 1 17 TRP HE3 1 41 LYS QG . . 4.560 4.397 3.861 4.943 0.383 6 0 "[ . 1 . 2]" 1
189 1 17 TRP HE3 1 80 LEU MD2 . . 4.890 4.464 4.124 4.811 . 0 0 "[ . 1 . 2]" 1
190 1 17 TRP HH2 1 76 CYS QB . . 4.940 2.483 1.979 3.069 . 0 0 "[ . 1 . 2]" 1
191 1 17 TRP HH2 1 79 SER H . . 5.130 3.608 3.061 4.012 . 0 0 "[ . 1 . 2]" 1
192 1 17 TRP HH2 1 79 SER HA . . 3.990 2.686 2.519 2.864 . 0 0 "[ . 1 . 2]" 1
193 1 17 TRP HH2 1 80 LEU H . . 4.630 3.439 3.166 3.613 . 0 0 "[ . 1 . 2]" 1
194 1 17 TRP HH2 1 80 LEU HB2 . . 5.110 2.902 2.825 2.976 . 0 0 "[ . 1 . 2]" 1
195 1 17 TRP HZ2 1 76 CYS QB . . 3.560 2.199 1.939 2.627 . 0 0 "[ . 1 . 2]" 1
196 1 17 TRP HZ2 1 80 LEU HB2 . . 4.260 2.907 2.678 3.055 . 0 0 "[ . 1 . 2]" 1
197 1 17 TRP HZ2 1 80 LEU HB3 . . 4.880 4.581 4.301 4.697 . 0 0 "[ . 1 . 2]" 1
198 1 17 TRP HZ2 1 80 LEU MD1 . . 5.040 2.454 2.095 3.052 . 0 0 "[ . 1 . 2]" 1
199 1 17 TRP HZ2 1 80 LEU MD2 . . 5.140 3.274 2.981 3.594 . 0 0 "[ . 1 . 2]" 1
200 1 17 TRP HZ3 1 80 LEU H . . 4.870 2.790 2.495 3.084 . 0 0 "[ . 1 . 2]" 1
201 1 17 TRP HZ3 1 80 LEU HB3 . . 4.940 4.268 3.853 4.418 . 0 0 "[ . 1 . 2]" 1
202 1 18 GLY H 1 19 PHE QD . . 5.430 4.257 4.128 4.512 . 0 0 "[ . 1 . 2]" 1
203 1 18 GLY H 1 37 LYS HB2 . . 5.360 4.733 4.281 5.324 . 0 0 "[ . 1 . 2]" 1
204 1 18 GLY H 1 37 LYS HB3 . . 5.440 4.632 4.360 5.397 . 0 0 "[ . 1 . 2]" 1
205 1 18 GLY HA2 1 37 LYS HB3 . . 3.550 2.476 2.127 3.274 . 0 0 "[ . 1 . 2]" 1
206 1 18 GLY HA2 1 37 LYS HD2 . . 4.080 3.490 2.525 4.524 0.444 1 0 "[ . 1 . 2]" 1
207 1 18 GLY HA2 1 37 LYS HD3 . . 4.560 2.925 1.992 4.396 . 0 0 "[ . 1 . 2]" 1
208 1 18 GLY HA2 1 37 LYS QG . . 5.060 3.626 3.041 4.712 . 0 0 "[ . 1 . 2]" 1
209 1 18 GLY HA3 1 19 PHE QD . . 4.950 4.965 4.757 5.176 0.226 12 0 "[ . 1 . 2]" 1
210 1 18 GLY HA3 1 37 LYS H . . 4.470 3.624 3.202 3.909 . 0 0 "[ . 1 . 2]" 1
211 1 18 GLY HA3 1 37 LYS HB2 . . 3.960 3.265 2.991 3.669 . 0 0 "[ . 1 . 2]" 1
212 1 18 GLY HA3 1 37 LYS HB3 . . 3.840 2.185 1.987 2.793 . 0 0 "[ . 1 . 2]" 1
213 1 18 GLY HA3 1 37 LYS HD2 . . 5.000 4.625 3.775 5.161 0.161 12 0 "[ . 1 . 2]" 1
214 1 18 GLY HA3 1 37 LYS HD3 . . 5.100 3.858 2.226 5.103 0.003 6 0 "[ . 1 . 2]" 1
215 1 18 GLY HA3 1 37 LYS QG . . 4.490 3.666 3.235 4.528 0.038 6 0 "[ . 1 . 2]" 1
216 1 19 PHE H 1 19 PHE HB3 . . 4.050 2.909 2.472 3.102 . 0 0 "[ . 1 . 2]" 1
217 1 19 PHE H 1 19 PHE QD . . 4.050 3.160 2.680 3.338 . 0 0 "[ . 1 . 2]" 1
218 1 19 PHE H 1 20 ARG H . . 4.950 4.412 4.312 4.565 . 0 0 "[ . 1 . 2]" 1
219 1 19 PHE H 1 20 ARG QG . . 5.450 4.567 4.301 4.978 . 0 0 "[ . 1 . 2]" 1
220 1 19 PHE H 1 36 LEU HA . . 5.350 4.919 4.390 5.166 . 0 0 "[ . 1 . 2]" 1
221 1 19 PHE H 1 36 LEU QD . . 5.150 4.087 3.197 4.542 . 0 0 "[ . 1 . 2]" 1
222 1 19 PHE H 1 42 ALA MB . . 4.970 3.870 3.488 4.200 . 0 0 "[ . 1 . 2]" 1
223 1 19 PHE HA 1 19 PHE QD . . 4.370 3.600 3.552 3.637 . 0 0 "[ . 1 . 2]" 1
224 1 19 PHE HA 1 20 ARG H . . 3.020 2.342 2.260 2.434 . 0 0 "[ . 1 . 2]" 1
225 1 19 PHE HA 1 33 ILE MG . . 4.400 3.689 3.420 3.870 . 0 0 "[ . 1 . 2]" 1
226 1 19 PHE HA 1 36 LEU HA . . 3.240 2.320 1.972 2.508 . 0 0 "[ . 1 . 2]" 1
227 1 19 PHE HA 1 36 LEU QD . . 3.670 2.638 2.282 2.863 . 0 0 "[ . 1 . 2]" 1
228 1 19 PHE HA 1 37 LYS H . . 4.190 3.607 3.279 3.834 . 0 0 "[ . 1 . 2]" 1
229 1 19 PHE HA 1 42 ALA MB . . 4.550 3.741 3.575 3.938 . 0 0 "[ . 1 . 2]" 1
230 1 19 PHE HB2 1 20 ARG H . . 3.440 2.990 2.743 3.246 . 0 0 "[ . 1 . 2]" 1
231 1 19 PHE HB2 1 33 ILE MD . . 4.000 2.895 2.632 3.022 . 0 0 "[ . 1 . 2]" 1
232 1 19 PHE HB2 1 33 ILE MG . . 3.300 2.447 2.312 2.581 . 0 0 "[ . 1 . 2]" 1
233 1 19 PHE HB2 1 36 LEU HA . . 4.660 3.696 3.383 4.047 . 0 0 "[ . 1 . 2]" 1
234 1 19 PHE HB2 1 36 LEU QD . . 3.650 2.350 2.098 2.813 . 0 0 "[ . 1 . 2]" 1
235 1 19 PHE HB2 1 42 ALA MB . . 3.830 2.836 2.748 2.961 . 0 0 "[ . 1 . 2]" 1
236 1 19 PHE HB3 1 33 ILE MD . . 4.220 4.104 3.824 4.272 0.052 3 0 "[ . 1 . 2]" 1
237 1 19 PHE HB3 1 36 LEU HA . . 4.620 3.961 3.747 4.322 . 0 0 "[ . 1 . 2]" 1
238 1 19 PHE HB3 1 36 LEU QD . . 3.280 2.478 2.101 2.773 . 0 0 "[ . 1 . 2]" 1
239 1 19 PHE HB3 1 42 ALA MB . . 3.290 1.860 1.814 2.001 . 0 0 "[ . 1 . 2]" 1
240 1 19 PHE QD 1 20 ARG H . . 4.220 2.898 2.605 3.114 . 0 0 "[ . 1 . 2]" 1
241 1 19 PHE QD 1 20 ARG HA . . 4.620 3.037 2.861 3.187 . 0 0 "[ . 1 . 2]" 1
242 1 19 PHE QD 1 21 LEU HG . . 3.960 2.974 2.665 3.600 . 0 0 "[ . 1 . 2]" 1
243 1 19 PHE QD 1 33 ILE HA . . 4.660 4.076 3.800 4.286 . 0 0 "[ . 1 . 2]" 1
244 1 19 PHE QD 1 33 ILE MD . . 3.310 2.737 2.465 3.001 . 0 0 "[ . 1 . 2]" 1
245 1 19 PHE QD 1 33 ILE MG . . 3.960 3.352 2.947 3.527 . 0 0 "[ . 1 . 2]" 1
246 1 19 PHE QD 1 42 ALA H . . 5.190 3.563 3.271 3.909 . 0 0 "[ . 1 . 2]" 1
247 1 19 PHE QD 1 42 ALA MB . . 3.090 2.290 1.954 2.747 . 0 0 "[ . 1 . 2]" 1
248 1 19 PHE QE 1 21 LEU H . . 5.000 4.809 4.566 4.960 . 0 0 "[ . 1 . 2]" 1
249 1 19 PHE QE 1 21 LEU HB2 . . 4.860 4.221 4.025 4.559 . 0 0 "[ . 1 . 2]" 1
250 1 19 PHE QE 1 21 LEU MD1 . . 3.920 2.444 2.094 2.963 . 0 0 "[ . 1 . 2]" 1
251 1 19 PHE QE 1 21 LEU MD2 . . 3.380 2.695 1.967 3.170 . 0 0 "[ . 1 . 2]" 1
252 1 19 PHE QE 1 21 LEU HG . . 3.830 2.003 1.982 2.135 . 0 0 "[ . 1 . 2]" 1
253 1 19 PHE QE 1 42 ALA MB . . 4.500 4.086 3.698 4.272 . 0 0 "[ . 1 . 2]" 1
254 1 19 PHE QE 1 73 ILE MD . . 3.540 2.987 2.643 3.316 . 0 0 "[ . 1 . 2]" 1
255 1 19 PHE QE 1 73 ILE MG . . 4.310 3.734 3.312 4.133 . 0 0 "[ . 1 . 2]" 1
256 1 19 PHE QE 1 80 LEU MD1 . . 4.700 4.542 4.244 4.749 0.049 11 0 "[ . 1 . 2]" 1
257 1 19 PHE QE 1 80 LEU MD2 . . 3.370 2.091 1.895 2.432 . 0 0 "[ . 1 . 2]" 1
258 1 19 PHE QE 1 82 MET ME . . 3.610 2.669 2.155 2.934 . 0 0 "[ . 1 . 2]" 1
259 1 19 PHE HZ 1 73 ILE MD . . 3.370 3.188 2.727 3.410 0.040 4 0 "[ . 1 . 2]" 1
260 1 19 PHE HZ 1 73 ILE HG12 . . 4.890 2.773 2.474 3.171 . 0 0 "[ . 1 . 2]" 1
261 1 19 PHE HZ 1 80 LEU MD1 . . 4.440 4.142 3.809 4.476 0.036 11 0 "[ . 1 . 2]" 1
262 1 19 PHE HZ 1 80 LEU MD2 . . 3.380 1.984 1.833 2.269 . 0 0 "[ . 1 . 2]" 1
263 1 19 PHE HZ 1 82 MET ME . . 3.770 2.240 1.980 2.651 . 0 0 "[ . 1 . 2]" 1
264 1 20 ARG H 1 20 ARG HB2 . . 3.810 2.416 2.327 2.523 . 0 0 "[ . 1 . 2]" 1
265 1 20 ARG H 1 20 ARG QG . . 4.070 3.225 3.041 3.398 . 0 0 "[ . 1 . 2]" 1
266 1 20 ARG H 1 21 LEU H . . 5.140 4.486 4.449 4.524 . 0 0 "[ . 1 . 2]" 1
267 1 20 ARG H 1 33 ILE HA . . 5.170 4.427 4.245 4.623 . 0 0 "[ . 1 . 2]" 1
268 1 20 ARG H 1 33 ILE MD . . 5.180 3.965 3.583 4.240 . 0 0 "[ . 1 . 2]" 1
269 1 20 ARG H 1 33 ILE MG . . 4.000 2.860 2.668 3.103 . 0 0 "[ . 1 . 2]" 1
270 1 20 ARG H 1 34 SER H . . 4.740 4.058 3.664 4.296 . 0 0 "[ . 1 . 2]" 1
271 1 20 ARG H 1 35 SER H . . 3.490 2.403 2.255 2.556 . 0 0 "[ . 1 . 2]" 1
272 1 20 ARG H 1 35 SER HB2 . . 4.720 4.455 4.198 4.675 . 0 0 "[ . 1 . 2]" 1
273 1 20 ARG H 1 35 SER HB3 . . 4.720 4.508 4.317 4.694 . 0 0 "[ . 1 . 2]" 1
274 1 20 ARG H 1 36 LEU HA . . 4.510 3.683 3.572 3.749 . 0 0 "[ . 1 . 2]" 1
275 1 20 ARG H 1 36 LEU QD . . 4.720 3.610 3.355 4.286 . 0 0 "[ . 1 . 2]" 1
276 1 20 ARG H 1 42 ALA MB . . 5.180 5.116 5.013 5.162 . 0 0 "[ . 1 . 2]" 1
277 1 20 ARG HA 1 20 ARG QG . . 3.200 2.205 2.081 2.506 . 0 0 "[ . 1 . 2]" 1
278 1 20 ARG HA 1 21 LEU H . . 3.240 2.605 2.516 2.654 . 0 0 "[ . 1 . 2]" 1
279 1 20 ARG HB2 1 20 ARG QD . . 3.920 3.117 2.853 3.408 . 0 0 "[ . 1 . 2]" 1
280 1 20 ARG HB2 1 21 LEU H . . 4.380 3.684 3.504 3.824 . 0 0 "[ . 1 . 2]" 1
281 1 20 ARG HB2 1 35 SER H . . 4.150 1.980 1.938 2.087 . 0 0 "[ . 1 . 2]" 1
282 1 20 ARG HB2 1 35 SER HB2 . . 3.620 2.962 2.818 3.070 . 0 0 "[ . 1 . 2]" 1
283 1 20 ARG HB2 1 35 SER HB3 . . 3.850 3.821 3.723 3.901 0.051 20 0 "[ . 1 . 2]" 1
284 1 20 ARG HB3 1 20 ARG QD . . 3.710 2.096 1.962 2.303 . 0 0 "[ . 1 . 2]" 1
285 1 20 ARG HB3 1 21 LEU H . . 3.580 2.271 2.153 2.468 . 0 0 "[ . 1 . 2]" 1
286 1 20 ARG HB3 1 35 SER H . . 4.660 3.312 3.198 3.453 . 0 0 "[ . 1 . 2]" 1
287 1 20 ARG HB3 1 35 SER HB2 . . 4.250 4.276 4.169 4.314 0.064 5 0 "[ . 1 . 2]" 1
288 1 20 ARG QD 1 21 LEU H . . 5.500 3.153 2.775 3.776 . 0 0 "[ . 1 . 2]" 1
289 1 20 ARG QG 1 21 LEU H . . 4.370 3.856 3.661 4.042 . 0 0 "[ . 1 . 2]" 1
290 1 20 ARG QG 1 35 SER H . . 4.730 3.813 3.636 3.923 . 0 0 "[ . 1 . 2]" 1
291 1 20 ARG QG 1 35 SER HB2 . . 3.700 3.581 3.217 3.742 0.042 13 0 "[ . 1 . 2]" 1
292 1 20 ARG QG 1 35 SER HB3 . . 3.970 3.978 3.643 4.021 0.051 15 0 "[ . 1 . 2]" 1
293 1 21 LEU H 1 21 LEU HB2 . . 3.420 2.620 2.502 2.779 . 0 0 "[ . 1 . 2]" 1
294 1 21 LEU H 1 21 LEU HB3 . . 4.170 3.735 3.666 3.837 . 0 0 "[ . 1 . 2]" 1
295 1 21 LEU H 1 21 LEU MD1 . . 4.390 4.228 4.057 4.378 . 0 0 "[ . 1 . 2]" 1
296 1 21 LEU H 1 21 LEU HG . . 3.630 3.316 3.086 3.519 . 0 0 "[ . 1 . 2]" 1
297 1 21 LEU H 1 22 GLN H . . 5.160 4.445 4.381 4.504 . 0 0 "[ . 1 . 2]" 1
298 1 21 LEU H 1 34 SER H . . 5.500 3.712 3.566 4.046 . 0 0 "[ . 1 . 2]" 1
299 1 21 LEU H 1 70 GLN HE22 . . 5.500 4.109 3.099 4.990 . 0 0 "[ . 1 . 2]" 1
300 1 21 LEU HA 1 21 LEU MD1 . . 4.690 3.831 3.715 3.904 . 0 0 "[ . 1 . 2]" 1
301 1 21 LEU HA 1 21 LEU MD2 . . 3.240 1.955 1.889 2.013 . 0 0 "[ . 1 . 2]" 1
302 1 21 LEU HA 1 22 GLN H . . 3.010 2.366 2.291 2.446 . 0 0 "[ . 1 . 2]" 1
303 1 21 LEU HA 1 22 GLN QB . . 4.630 4.264 4.166 4.361 . 0 0 "[ . 1 . 2]" 1
304 1 21 LEU HA 1 32 THR H . . 5.060 4.528 4.417 4.633 . 0 0 "[ . 1 . 2]" 1
305 1 21 LEU HA 1 33 ILE HA . . 3.660 2.708 2.564 3.105 . 0 0 "[ . 1 . 2]" 1
306 1 21 LEU HA 1 33 ILE MD . . 4.410 3.611 3.431 3.901 . 0 0 "[ . 1 . 2]" 1
307 1 21 LEU HA 1 34 SER H . . 3.530 2.014 1.935 2.368 . 0 0 "[ . 1 . 2]" 1
308 1 21 LEU HA 1 34 SER HB3 . . 4.480 3.099 2.854 3.972 . 0 0 "[ . 1 . 2]" 1
309 1 21 LEU HA 1 35 SER H . . 4.830 4.669 4.554 4.853 0.023 1 0 "[ . 1 . 2]" 1
310 1 21 LEU HB2 1 21 LEU MD1 . . 3.360 2.342 2.157 2.492 . 0 0 "[ . 1 . 2]" 1
311 1 21 LEU HB2 1 22 GLN H . . 4.130 3.946 3.716 4.111 . 0 0 "[ . 1 . 2]" 1
312 1 21 LEU HB2 1 66 HIS HD2 . . 4.390 3.712 3.484 4.279 . 0 0 "[ . 1 . 2]" 1
313 1 21 LEU HB2 1 66 HIS HE1 . . 4.330 4.172 3.806 4.369 0.039 14 0 "[ . 1 . 2]" 1
314 1 21 LEU HB2 1 70 GLN HE21 . . 5.500 4.140 2.035 5.473 . 0 0 "[ . 1 . 2]" 1
315 1 21 LEU HB2 1 70 GLN HE22 . . 5.290 4.050 2.848 4.917 . 0 0 "[ . 1 . 2]" 1
316 1 21 LEU HB3 1 21 LEU MD1 . . 2.840 2.394 2.269 2.516 . 0 0 "[ . 1 . 2]" 1
317 1 21 LEU HB3 1 21 LEU MD2 . . 3.240 2.419 2.350 2.530 . 0 0 "[ . 1 . 2]" 1
318 1 21 LEU HB3 1 22 GLN H . . 3.710 2.736 2.531 2.933 . 0 0 "[ . 1 . 2]" 1
319 1 21 LEU HB3 1 32 THR H . . 4.260 4.583 4.338 4.747 0.487 1 0 "[ . 1 . 2]" 1
320 1 21 LEU HB3 1 66 HIS HD2 . . 4.910 2.979 2.579 3.306 . 0 0 "[ . 1 . 2]" 1
321 1 21 LEU HB3 1 66 HIS HE1 . . 4.920 4.769 4.535 4.952 0.032 3 0 "[ . 1 . 2]" 1
322 1 21 LEU MD2 1 22 GLN H . . 3.960 3.217 3.000 3.511 . 0 0 "[ . 1 . 2]" 1
323 1 21 LEU MD2 1 32 THR H . . 4.370 3.998 3.565 4.293 . 0 0 "[ . 1 . 2]" 1
324 1 21 LEU MD2 1 32 THR HA . . 4.300 3.969 3.616 4.320 0.020 11 0 "[ . 1 . 2]" 1
325 1 21 LEU MD2 1 33 ILE H . . 4.680 4.056 3.769 4.517 . 0 0 "[ . 1 . 2]" 1
326 1 21 LEU MD2 1 33 ILE HA . . 3.240 2.252 1.970 2.749 . 0 0 "[ . 1 . 2]" 1
327 1 21 LEU MD2 1 33 ILE MD . . 3.190 1.945 1.731 2.396 . 0 0 "[ . 1 . 2]" 1
328 1 21 LEU MD2 1 34 SER H . . 4.550 3.122 2.933 3.380 . 0 0 "[ . 1 . 2]" 1
329 1 21 LEU MD2 1 34 SER HB3 . . 4.420 4.458 4.247 5.121 0.701 3 2 "[- + . 1 . 2]" 1
330 1 22 GLN H 1 22 GLN QB . . 3.760 3.233 3.155 3.296 . 0 0 "[ . 1 . 2]" 1
331 1 22 GLN H 1 22 GLN QG . . 3.820 2.489 2.284 2.638 . 0 0 "[ . 1 . 2]" 1
332 1 22 GLN H 1 23 GLY H . . 5.000 4.321 4.249 4.379 . 0 0 "[ . 1 . 2]" 1
333 1 22 GLN H 1 32 THR H . . 3.750 2.781 2.592 2.889 . 0 0 "[ . 1 . 2]" 1
334 1 22 GLN H 1 32 THR HB . . 5.040 4.952 4.667 5.017 . 0 0 "[ . 1 . 2]" 1
335 1 22 GLN H 1 33 ILE HA . . 4.720 4.161 4.086 4.246 . 0 0 "[ . 1 . 2]" 1
336 1 22 GLN H 1 34 SER H . . 4.460 3.297 3.011 3.600 . 0 0 "[ . 1 . 2]" 1
337 1 22 GLN H 1 34 SER HB2 . . 4.760 4.051 3.171 4.529 . 0 0 "[ . 1 . 2]" 1
338 1 22 GLN H 1 34 SER HB3 . . 4.090 4.181 3.934 4.816 0.726 3 3 "[- + . 1 .* 2]" 1
339 1 22 GLN H 1 66 HIS HE1 . . 5.500 4.997 4.785 5.439 . 0 0 "[ . 1 . 2]" 1
340 1 22 GLN HA 1 23 GLY H . . 3.150 2.342 2.266 2.390 . 0 0 "[ . 1 . 2]" 1
341 1 22 GLN HA 1 66 HIS HD2 . . 4.450 3.954 3.600 4.263 . 0 0 "[ . 1 . 2]" 1
342 1 22 GLN HA 1 66 HIS HE1 . . 3.460 3.020 2.860 3.461 0.001 1 0 "[ . 1 . 2]" 1
343 1 22 GLN QB 1 23 GLY H . . 3.540 2.809 2.705 3.038 . 0 0 "[ . 1 . 2]" 1
344 1 22 GLN QB 1 34 SER HB2 . . 3.570 2.004 1.957 2.272 . 0 0 "[ . 1 . 2]" 1
345 1 22 GLN QB 1 34 SER HB3 . . 3.280 3.315 3.047 3.623 0.343 3 0 "[ . 1 . 2]" 1
346 1 22 GLN QB 1 66 HIS HE1 . . 4.850 4.186 4.014 4.732 . 0 0 "[ . 1 . 2]" 1
347 1 22 GLN QG 1 23 GLY H . . 4.330 3.931 3.724 4.103 . 0 0 "[ . 1 . 2]" 1
348 1 22 GLN QG 1 32 THR H . . 4.890 2.957 2.296 3.267 . 0 0 "[ . 1 . 2]" 1
349 1 22 GLN QG 1 32 THR HB . . 4.140 3.407 2.881 3.704 . 0 0 "[ . 1 . 2]" 1
350 1 22 GLN QG 1 34 SER HB2 . . 3.860 2.828 2.273 3.341 . 0 0 "[ . 1 . 2]" 1
351 1 22 GLN QG 1 34 SER HB3 . . 3.650 3.522 3.024 3.948 0.298 16 0 "[ . 1 . 2]" 1
352 1 23 GLY H 1 24 GLY H . . 5.070 4.571 4.550 4.598 . 0 0 "[ . 1 . 2]" 1
353 1 23 GLY H 1 27 PHE QD . . 5.060 2.881 2.409 3.575 . 0 0 "[ . 1 . 2]" 1
354 1 23 GLY H 1 29 MET ME . . 4.580 3.923 3.703 4.334 . 0 0 "[ . 1 . 2]" 1
355 1 23 GLY H 1 66 HIS HD2 . . 4.740 4.544 4.080 4.773 0.033 2 0 "[ . 1 . 2]" 1
356 1 23 GLY H 1 66 HIS HE1 . . 4.630 4.619 4.480 4.679 0.049 19 0 "[ . 1 . 2]" 1
357 1 23 GLY HA2 1 27 PHE H . . 5.290 4.683 4.258 4.920 . 0 0 "[ . 1 . 2]" 1
358 1 23 GLY HA2 1 27 PHE QB . . 3.880 2.126 1.999 2.295 . 0 0 "[ . 1 . 2]" 1
359 1 23 GLY HA2 1 27 PHE QD . . 4.560 2.609 2.161 3.399 . 0 0 "[ . 1 . 2]" 1
360 1 23 GLY HA2 1 29 MET H . . 5.280 4.507 4.259 4.790 . 0 0 "[ . 1 . 2]" 1
361 1 23 GLY HA2 1 29 MET HB2 . . 4.340 4.686 4.670 4.734 0.394 7 0 "[ . 1 . 2]" 1
362 1 23 GLY HA2 1 29 MET HB3 . . 3.990 4.072 3.996 4.110 0.120 16 0 "[ . 1 . 2]" 1
363 1 23 GLY HA2 1 29 MET ME . . 4.160 3.247 3.100 3.422 . 0 0 "[ . 1 . 2]" 1
364 1 23 GLY HA2 1 29 MET QG . . 4.080 1.966 1.941 2.040 . 0 0 "[ . 1 . 2]" 1
365 1 23 GLY HA3 1 24 GLY H . . 3.510 2.399 2.339 2.450 . 0 0 "[ . 1 . 2]" 1
366 1 23 GLY HA3 1 29 MET HB2 . . 4.510 4.422 4.372 4.559 0.049 7 0 "[ . 1 . 2]" 1
367 1 23 GLY HA3 1 29 MET HB3 . . 4.510 4.458 4.421 4.485 . 0 0 "[ . 1 . 2]" 1
368 1 23 GLY HA3 1 29 MET ME . . 4.160 2.455 2.180 2.671 . 0 0 "[ . 1 . 2]" 1
369 1 23 GLY HA3 1 29 MET QG . . 4.090 1.913 1.890 1.978 . 0 0 "[ . 1 . 2]" 1
370 1 24 GLY H 1 25 LYS H . . 4.930 4.424 4.264 4.510 . 0 0 "[ . 1 . 2]" 1
371 1 24 GLY H 1 27 PHE QB . . 4.350 2.627 2.451 3.007 . 0 0 "[ . 1 . 2]" 1
372 1 24 GLY H 1 29 MET HB2 . . 4.910 4.443 4.287 4.632 . 0 0 "[ . 1 . 2]" 1
373 1 24 GLY H 1 29 MET HB3 . . 4.170 4.189 4.129 4.223 0.053 7 0 "[ . 1 . 2]" 1
374 1 24 GLY H 1 29 MET QG . . 4.260 1.908 1.855 1.954 . 0 0 "[ . 1 . 2]" 1
375 1 24 GLY H 1 31 LEU H . . 5.380 4.656 4.453 4.882 . 0 0 "[ . 1 . 2]" 1
376 1 24 GLY H 1 31 LEU HA . . 4.510 3.947 3.783 4.178 . 0 0 "[ . 1 . 2]" 1
377 1 24 GLY H 1 31 LEU MD1 . . 5.500 4.992 4.797 5.150 . 0 0 "[ . 1 . 2]" 1
378 1 24 GLY H 1 31 LEU MD2 . . 4.510 4.287 4.015 4.545 0.035 1 0 "[ . 1 . 2]" 1
379 1 24 GLY H 1 31 LEU HG . . 4.920 3.773 3.519 3.941 . 0 0 "[ . 1 . 2]" 1
380 1 24 GLY H 1 32 THR H . . 5.500 5.345 5.133 5.516 0.016 6 0 "[ . 1 . 2]" 1
381 1 24 GLY HA2 1 25 LYS H . . 3.370 2.636 2.413 2.838 . 0 0 "[ . 1 . 2]" 1
382 1 24 GLY HA2 1 31 LEU MD1 . . 4.070 3.298 3.021 3.466 . 0 0 "[ . 1 . 2]" 1
383 1 24 GLY HA2 1 31 LEU MD2 . . 3.660 3.294 2.894 3.633 . 0 0 "[ . 1 . 2]" 1
384 1 24 GLY HA2 1 31 LEU HG . . 3.910 2.482 2.232 2.776 . 0 0 "[ . 1 . 2]" 1
385 1 24 GLY HA3 1 25 LYS H . . 3.570 2.608 2.424 2.850 . 0 0 "[ . 1 . 2]" 1
386 1 24 GLY HA3 1 26 ASP H . . 5.330 3.563 3.030 3.925 . 0 0 "[ . 1 . 2]" 1
387 1 24 GLY HA3 1 27 PHE H . . 5.300 3.349 3.080 3.523 . 0 0 "[ . 1 . 2]" 1
388 1 24 GLY HA3 1 27 PHE QD . . 4.820 3.435 3.009 3.645 . 0 0 "[ . 1 . 2]" 1
389 1 24 GLY HA3 1 27 PHE QE . . 5.100 4.873 4.549 5.127 0.027 19 0 "[ . 1 . 2]" 1
390 1 24 GLY HA3 1 66 HIS H . . 4.230 2.620 2.237 2.933 . 0 0 "[ . 1 . 2]" 1
391 1 24 GLY HA3 1 66 HIS HA . . 4.250 3.759 3.329 4.071 . 0 0 "[ . 1 . 2]" 1
392 1 24 GLY HA3 1 66 HIS HB2 . . 4.740 3.021 2.619 3.356 . 0 0 "[ . 1 . 2]" 1
393 1 24 GLY HA3 1 66 HIS HB3 . . 4.940 4.626 4.277 4.970 0.030 2 0 "[ . 1 . 2]" 1
394 1 25 LYS H 1 25 LYS HB2 . . 3.320 2.122 2.016 2.333 . 0 0 "[ . 1 . 2]" 1
395 1 25 LYS H 1 25 LYS HB3 . . 3.520 2.985 2.604 3.448 . 0 0 "[ . 1 . 2]" 1
396 1 25 LYS H 1 25 LYS HG2 . . 4.930 4.489 3.580 4.642 . 0 0 "[ . 1 . 2]" 1
397 1 25 LYS H 1 25 LYS HG3 . . 4.640 3.925 3.022 4.308 . 0 0 "[ . 1 . 2]" 1
398 1 25 LYS H 1 26 ASP H . . 3.960 2.638 2.483 2.796 . 0 0 "[ . 1 . 2]" 1
399 1 25 LYS H 1 27 PHE H . . 5.160 3.744 3.566 4.104 . 0 0 "[ . 1 . 2]" 1
400 1 25 LYS H 1 65 THR HA . . 3.290 2.147 1.947 2.388 . 0 0 "[ . 1 . 2]" 1
401 1 25 LYS H 1 65 THR HB . . 4.650 4.060 2.755 4.601 . 0 0 "[ . 1 . 2]" 1
402 1 25 LYS H 1 65 THR MG . . 3.400 3.052 2.530 3.376 . 0 0 "[ . 1 . 2]" 1
403 1 25 LYS H 1 66 HIS H . . 4.850 3.686 3.348 4.008 . 0 0 "[ . 1 . 2]" 1
404 1 25 LYS HA 1 25 LYS HG2 . . 3.640 2.926 2.058 3.376 . 0 0 "[ . 1 . 2]" 1
405 1 25 LYS HA 1 25 LYS HG3 . . 3.910 2.163 1.983 3.119 . 0 0 "[ . 1 . 2]" 1
406 1 25 LYS HA 1 27 PHE H . . 4.520 3.824 3.678 4.183 . 0 0 "[ . 1 . 2]" 1
407 1 25 LYS HA 1 28 ASN H . . 4.140 3.061 2.884 3.562 . 0 0 "[ . 1 . 2]" 1
408 1 25 LYS HA 1 28 ASN HA . . 4.180 3.437 3.230 3.657 . 0 0 "[ . 1 . 2]" 1
409 1 25 LYS HA 1 29 MET H . . 4.460 3.509 3.208 3.829 . 0 0 "[ . 1 . 2]" 1
410 1 25 LYS HB2 1 26 ASP H . . 5.270 3.473 2.778 4.031 . 0 0 "[ . 1 . 2]" 1
411 1 25 LYS HB2 1 65 THR MG . . 3.980 2.542 2.010 3.305 . 0 0 "[ . 1 . 2]" 1
412 1 25 LYS HB3 1 25 LYS QE . . 4.930 2.696 2.011 3.469 . 0 0 "[ . 1 . 2]" 1
413 1 25 LYS HB3 1 65 THR HA . . 4.010 3.855 3.322 4.155 0.145 8 0 "[ . 1 . 2]" 1
414 1 25 LYS HD2 1 63 GLY QA . . 4.110 3.047 2.416 4.140 0.030 18 0 "[ . 1 . 2]" 1
415 1 25 LYS HD3 1 63 GLY QA . . 4.260 2.562 2.081 4.125 . 0 0 "[ . 1 . 2]" 1
416 1 25 LYS QE 1 65 THR MG . . 3.370 3.190 2.460 3.405 0.035 19 0 "[ . 1 . 2]" 1
417 1 26 ASP H 1 26 ASP HB2 . . 3.970 2.775 2.553 3.522 . 0 0 "[ . 1 . 2]" 1
418 1 26 ASP H 1 26 ASP HB3 . . 4.100 2.310 2.189 2.817 . 0 0 "[ . 1 . 2]" 1
419 1 26 ASP H 1 27 PHE H . . 3.440 2.557 2.359 2.689 . 0 0 "[ . 1 . 2]" 1
420 1 26 ASP H 1 27 PHE QD . . 5.060 3.380 3.148 3.522 . 0 0 "[ . 1 . 2]" 1
421 1 26 ASP H 1 27 PHE QE . . 5.290 5.151 4.929 5.340 0.050 7 0 "[ . 1 . 2]" 1
422 1 26 ASP H 1 28 ASN H . . 4.920 3.918 3.686 4.026 . 0 0 "[ . 1 . 2]" 1
423 1 26 ASP H 1 65 THR H . . 5.500 5.449 5.126 5.518 0.018 8 0 "[ . 1 . 2]" 1
424 1 26 ASP H 1 65 THR HA . . 3.990 3.204 2.989 3.617 . 0 0 "[ . 1 . 2]" 1
425 1 26 ASP H 1 65 THR MG . . 3.830 2.606 1.932 3.189 . 0 0 "[ . 1 . 2]" 1
426 1 26 ASP H 1 66 HIS H . . 4.460 3.637 3.246 3.949 . 0 0 "[ . 1 . 2]" 1
427 1 26 ASP HA 1 26 ASP HB2 . . 3.020 2.412 2.348 2.623 . 0 0 "[ . 1 . 2]" 1
428 1 26 ASP HA 1 28 ASN H . . 4.590 4.016 3.624 4.331 . 0 0 "[ . 1 . 2]" 1
429 1 26 ASP HA 1 65 THR MG . . 4.130 3.924 3.478 4.170 0.040 19 0 "[ . 1 . 2]" 1
430 1 26 ASP HB2 1 65 THR MG . . 3.630 3.083 2.309 4.119 0.489 17 0 "[ . 1 . 2]" 1
431 1 26 ASP HB3 1 27 PHE H . . 5.010 3.216 2.811 4.351 . 0 0 "[ . 1 . 2]" 1
432 1 26 ASP HB3 1 65 THR MG . . 4.090 3.484 2.630 4.049 . 0 0 "[ . 1 . 2]" 1
433 1 27 PHE H 1 27 PHE QB . . 3.490 2.138 2.074 2.183 . 0 0 "[ . 1 . 2]" 1
434 1 27 PHE H 1 27 PHE QD . . 4.120 2.259 2.130 2.305 . 0 0 "[ . 1 . 2]" 1
435 1 27 PHE H 1 27 PHE QE . . 4.620 4.648 4.535 4.665 0.045 17 0 "[ . 1 . 2]" 1
436 1 27 PHE H 1 28 ASN H . . 3.250 2.243 2.132 2.653 . 0 0 "[ . 1 . 2]" 1
437 1 27 PHE H 1 29 MET H . . 4.330 3.684 3.426 4.128 . 0 0 "[ . 1 . 2]" 1
438 1 27 PHE H 1 65 THR MG . . 5.380 4.809 4.280 5.243 . 0 0 "[ . 1 . 2]" 1
439 1 27 PHE HA 1 27 PHE QD . . 4.040 3.062 2.982 3.152 . 0 0 "[ . 1 . 2]" 1
440 1 27 PHE HA 1 27 PHE QE . . 4.610 4.664 4.611 4.706 0.096 19 0 "[ . 1 . 2]" 1
441 1 27 PHE QB 1 28 ASN H . . 4.410 3.061 2.773 3.602 . 0 0 "[ . 1 . 2]" 1
442 1 27 PHE QB 1 29 MET H . . 4.390 3.064 2.731 3.457 . 0 0 "[ . 1 . 2]" 1
443 1 27 PHE QB 1 29 MET HB2 . . 4.640 4.645 4.527 4.852 0.212 6 0 "[ . 1 . 2]" 1
444 1 27 PHE QB 1 29 MET HB3 . . 4.320 3.479 3.374 3.625 . 0 0 "[ . 1 . 2]" 1
445 1 27 PHE QB 1 29 MET ME . . 4.160 4.357 4.179 4.585 0.425 6 0 "[ . 1 . 2]" 1
446 1 27 PHE QB 1 29 MET QG . . 4.120 2.333 2.177 2.589 . 0 0 "[ . 1 . 2]" 1
447 1 27 PHE QD 1 66 HIS H . . 4.910 3.648 3.372 3.937 . 0 0 "[ . 1 . 2]" 1
448 1 27 PHE QD 1 66 HIS HB2 . . 3.890 3.171 2.663 3.579 . 0 0 "[ . 1 . 2]" 1
449 1 27 PHE QE 1 66 HIS H . . 5.120 3.973 3.688 4.277 . 0 0 "[ . 1 . 2]" 1
450 1 27 PHE QE 1 66 HIS HB2 . . 3.960 2.859 2.484 3.134 . 0 0 "[ . 1 . 2]" 1
451 1 27 PHE QE 1 66 HIS HB3 . . 3.780 2.784 2.391 3.368 . 0 0 "[ . 1 . 2]" 1
452 1 28 ASN H 1 28 ASN HB3 . . 4.030 3.950 3.782 4.107 0.077 3 0 "[ . 1 . 2]" 1
453 1 28 ASN H 1 29 MET H . . 3.580 2.535 2.349 2.873 . 0 0 "[ . 1 . 2]" 1
454 1 28 ASN HA 1 29 MET H . . 3.490 2.858 2.678 3.013 . 0 0 "[ . 1 . 2]" 1
455 1 28 ASN HB2 1 29 MET H . . 4.930 4.527 4.279 4.689 . 0 0 "[ . 1 . 2]" 1
456 1 29 MET H 1 29 MET HB3 . . 3.890 3.179 3.068 3.288 . 0 0 "[ . 1 . 2]" 1
457 1 29 MET H 1 29 MET QG . . 4.150 2.781 2.652 2.969 . 0 0 "[ . 1 . 2]" 1
458 1 29 MET H 1 30 PRO HD2 . . 5.280 4.942 4.917 4.951 . 0 0 "[ . 1 . 2]" 1
459 1 29 MET HA 1 29 MET ME . . 4.840 4.659 4.521 4.754 . 0 0 "[ . 1 . 2]" 1
460 1 29 MET HA 1 29 MET QG . . 3.880 3.289 3.247 3.295 . 0 0 "[ . 1 . 2]" 1
461 1 29 MET HA 1 30 PRO HD2 . . 3.030 2.916 2.886 3.022 . 0 0 "[ . 1 . 2]" 1
462 1 29 MET HA 1 30 PRO HD3 . . 2.860 2.131 2.110 2.213 . 0 0 "[ . 1 . 2]" 1
463 1 29 MET HA 1 30 PRO QG . . 4.200 4.061 4.043 4.130 . 0 0 "[ . 1 . 2]" 1
464 1 29 MET HB2 1 30 PRO HD2 . . 3.460 1.970 1.957 1.990 . 0 0 "[ . 1 . 2]" 1
465 1 29 MET HB2 1 30 PRO HD3 . . 4.000 2.766 2.613 2.816 . 0 0 "[ . 1 . 2]" 1
466 1 29 MET ME 1 32 THR HB . . 3.830 3.866 3.852 3.884 0.054 19 0 "[ . 1 . 2]" 1
467 1 29 MET ME 1 32 THR MG . . 4.460 3.100 2.944 3.529 . 0 0 "[ . 1 . 2]" 1
468 1 29 MET QG 1 30 PRO HD2 . . 4.150 2.687 2.138 2.806 . 0 0 "[ . 1 . 2]" 1
469 1 29 MET QG 1 30 PRO HD3 . . 4.690 3.735 3.352 3.818 . 0 0 "[ . 1 . 2]" 1
470 1 30 PRO HA 1 31 LEU H . . 3.020 2.342 2.293 2.792 . 0 0 "[ . 1 . 2]" 1
471 1 30 PRO HA 1 31 LEU HB2 . . 4.720 4.552 4.431 4.713 . 0 0 "[ . 1 . 2]" 1
472 1 30 PRO HA 1 52 VAL MG1 . . 4.700 4.199 4.026 4.424 . 0 0 "[ . 1 . 2]" 1
473 1 30 PRO HB2 1 31 LEU H . . 3.740 2.968 1.926 3.093 . 0 0 "[ . 1 . 2]" 1
474 1 30 PRO HB2 1 32 THR MG . . 3.760 3.189 3.081 3.439 . 0 0 "[ . 1 . 2]" 1
475 1 30 PRO HB2 1 52 VAL MG1 . . 3.310 2.319 2.076 2.603 . 0 0 "[ . 1 . 2]" 1
476 1 30 PRO HB2 1 52 VAL MG2 . . 3.500 2.633 2.444 2.849 . 0 0 "[ . 1 . 2]" 1
477 1 30 PRO HB3 1 31 LEU H . . 3.730 3.541 3.094 3.606 . 0 0 "[ . 1 . 2]" 1
478 1 30 PRO HB3 1 52 VAL MG1 . . 3.390 3.132 2.835 3.395 0.005 12 0 "[ . 1 . 2]" 1
479 1 30 PRO HB3 1 52 VAL MG2 . . 3.920 3.846 3.723 3.964 0.044 17 0 "[ . 1 . 2]" 1
480 1 30 PRO HD2 1 32 THR MG . . 4.650 4.196 3.981 4.496 . 0 0 "[ . 1 . 2]" 1
481 1 30 PRO QG 1 31 LEU H . . 4.670 4.548 3.763 4.631 . 0 0 "[ . 1 . 2]" 1
482 1 30 PRO QG 1 32 THR MG . . 3.710 3.072 2.940 3.268 . 0 0 "[ . 1 . 2]" 1
483 1 30 PRO QG 1 52 VAL MG1 . . 4.130 3.631 3.233 3.963 . 0 0 "[ . 1 . 2]" 1
484 1 30 PRO QG 1 52 VAL MG2 . . 3.640 3.024 2.649 3.394 . 0 0 "[ . 1 . 2]" 1
485 1 31 LEU H 1 31 LEU HB2 . . 3.240 2.276 2.171 2.510 . 0 0 "[ . 1 . 2]" 1
486 1 31 LEU H 1 31 LEU HB3 . . 3.700 3.518 3.463 3.681 . 0 0 "[ . 1 . 2]" 1
487 1 31 LEU H 1 31 LEU MD1 . . 3.980 3.082 2.713 3.354 . 0 0 "[ . 1 . 2]" 1
488 1 31 LEU H 1 31 LEU MD2 . . 4.400 4.108 4.044 4.384 . 0 0 "[ . 1 . 2]" 1
489 1 31 LEU H 1 31 LEU HG . . 3.690 2.843 2.675 3.235 . 0 0 "[ . 1 . 2]" 1
490 1 31 LEU H 1 32 THR H . . 4.720 4.431 4.143 4.506 . 0 0 "[ . 1 . 2]" 1
491 1 31 LEU HA 1 31 LEU MD1 . . 3.780 3.807 3.761 3.834 0.054 15 0 "[ . 1 . 2]" 1
492 1 31 LEU HA 1 31 LEU MD2 . . 3.230 2.625 2.328 2.852 . 0 0 "[ . 1 . 2]" 1
493 1 31 LEU HA 1 32 THR H . . 3.110 2.181 2.176 2.195 . 0 0 "[ . 1 . 2]" 1
494 1 31 LEU HB2 1 31 LEU MD1 . . 3.140 2.043 1.935 2.165 . 0 0 "[ . 1 . 2]" 1
495 1 31 LEU HB2 1 31 LEU MD2 . . 3.240 3.106 3.044 3.168 . 0 0 "[ . 1 . 2]" 1
496 1 31 LEU HB2 1 32 THR H . . 4.620 4.511 4.418 4.582 . 0 0 "[ . 1 . 2]" 1
497 1 31 LEU HB3 1 31 LEU MD2 . . 3.160 2.099 1.955 2.269 . 0 0 "[ . 1 . 2]" 1
498 1 31 LEU HB3 1 53 VAL H . . 4.600 3.757 3.514 3.978 . 0 0 "[ . 1 . 2]" 1
499 1 31 LEU HB3 1 53 VAL HB . . 3.650 3.070 2.912 3.304 . 0 0 "[ . 1 . 2]" 1
500 1 31 LEU MD1 1 53 VAL HB . . 3.780 3.424 3.113 3.717 . 0 0 "[ . 1 . 2]" 1
501 1 31 LEU MD1 1 64 MET H . . 5.010 3.881 3.172 4.577 . 0 0 "[ . 1 . 2]" 1
502 1 31 LEU MD1 1 64 MET HB2 . . 3.800 3.128 2.701 3.397 . 0 0 "[ . 1 . 2]" 1
503 1 31 LEU MD1 1 66 HIS HA . . 3.990 3.795 3.443 4.017 0.027 18 0 "[ . 1 . 2]" 1
504 1 31 LEU MD1 1 66 HIS HD2 . . 4.640 4.329 3.988 4.658 0.018 16 0 "[ . 1 . 2]" 1
505 1 31 LEU MD1 1 69 ALA MB . . 3.060 2.225 1.880 2.619 . 0 0 "[ . 1 . 2]" 1
506 1 31 LEU MD2 1 32 THR H . . 4.230 3.884 3.339 4.256 0.026 7 0 "[ . 1 . 2]" 1
507 1 31 LEU MD2 1 66 HIS HA . . 3.380 2.061 1.936 2.249 . 0 0 "[ . 1 . 2]" 1
508 1 31 LEU MD2 1 66 HIS HB2 . . 4.870 3.527 3.342 3.753 . 0 0 "[ . 1 . 2]" 1
509 1 31 LEU MD2 1 66 HIS HD2 . . 4.430 1.902 1.825 2.007 . 0 0 "[ . 1 . 2]" 1
510 1 31 LEU MD2 1 69 ALA MB . . 3.140 2.091 1.865 2.411 . 0 0 "[ . 1 . 2]" 1
511 1 31 LEU HG 1 32 THR H . . 4.780 4.680 4.583 4.744 . 0 0 "[ . 1 . 2]" 1
512 1 32 THR H 1 32 THR HB . . 3.560 3.521 3.336 3.562 0.002 4 0 "[ . 1 . 2]" 1
513 1 32 THR H 1 32 THR MG . . 3.850 3.252 3.130 3.423 . 0 0 "[ . 1 . 2]" 1
514 1 32 THR HA 1 32 THR MG . . 3.130 2.278 2.164 2.309 . 0 0 "[ . 1 . 2]" 1
515 1 32 THR HA 1 33 ILE H . . 2.950 2.489 2.464 2.545 . 0 0 "[ . 1 . 2]" 1
516 1 32 THR HA 1 33 ILE HB . . 4.770 4.781 4.734 4.822 0.052 13 0 "[ . 1 . 2]" 1
517 1 32 THR HA 1 33 ILE MD . . 4.780 4.281 3.928 4.534 . 0 0 "[ . 1 . 2]" 1
518 1 32 THR HA 1 33 ILE HG12 . . 4.760 3.574 3.485 3.699 . 0 0 "[ . 1 . 2]" 1
519 1 32 THR HA 1 52 VAL HA . . 3.260 2.572 2.475 2.692 . 0 0 "[ . 1 . 2]" 1
520 1 32 THR HA 1 52 VAL MG1 . . 4.530 4.266 4.160 4.363 . 0 0 "[ . 1 . 2]" 1
521 1 32 THR HA 1 52 VAL MG2 . . 4.180 3.485 3.333 3.620 . 0 0 "[ . 1 . 2]" 1
522 1 32 THR HA 1 53 VAL H . . 3.980 3.552 3.397 3.706 . 0 0 "[ . 1 . 2]" 1
523 1 32 THR HA 1 53 VAL MG2 . . 3.900 3.515 3.305 3.784 . 0 0 "[ . 1 . 2]" 1
524 1 32 THR HB 1 33 ILE H . . 3.370 2.545 2.418 2.660 . 0 0 "[ . 1 . 2]" 1
525 1 32 THR HB 1 50 GLY H . . 5.160 3.469 3.270 3.920 . 0 0 "[ . 1 . 2]" 1
526 1 32 THR HB 1 50 GLY HA2 . . 4.380 2.917 2.715 3.579 . 0 0 "[ . 1 . 2]" 1
527 1 32 THR MG 1 33 ILE H . . 3.380 3.326 3.005 3.417 0.037 2 0 "[ . 1 . 2]" 1
528 1 32 THR MG 1 50 GLY H . . 4.070 4.029 3.698 4.128 0.058 19 0 "[ . 1 . 2]" 1
529 1 32 THR MG 1 50 GLY HA2 . . 3.500 2.777 2.698 2.838 . 0 0 "[ . 1 . 2]" 1
530 1 32 THR MG 1 50 GLY HA3 . . 3.860 3.904 3.883 3.917 0.057 20 0 "[ . 1 . 2]" 1
531 1 32 THR MG 1 51 ASP H . . 5.040 4.267 3.972 4.426 . 0 0 "[ . 1 . 2]" 1
532 1 32 THR MG 1 52 VAL HA . . 3.270 2.726 2.579 2.911 . 0 0 "[ . 1 . 2]" 1
533 1 33 ILE H 1 33 ILE HB . . 3.470 2.359 2.309 2.396 . 0 0 "[ . 1 . 2]" 1
534 1 33 ILE H 1 33 ILE MD . . 3.850 3.498 3.260 3.677 . 0 0 "[ . 1 . 2]" 1
535 1 33 ILE H 1 33 ILE HG12 . . 3.400 2.291 2.204 2.398 . 0 0 "[ . 1 . 2]" 1
536 1 33 ILE H 1 33 ILE HG13 . . 3.890 3.596 3.493 3.750 . 0 0 "[ . 1 . 2]" 1
537 1 33 ILE H 1 33 ILE MG . . 4.130 3.708 3.690 3.720 . 0 0 "[ . 1 . 2]" 1
538 1 33 ILE H 1 34 SER H . . 5.240 4.318 4.268 4.418 . 0 0 "[ . 1 . 2]" 1
539 1 33 ILE H 1 50 GLY H . . 4.670 2.635 2.488 2.856 . 0 0 "[ . 1 . 2]" 1
540 1 33 ILE H 1 51 ASP H . . 4.510 3.333 3.081 3.493 . 0 0 "[ . 1 . 2]" 1
541 1 33 ILE H 1 51 ASP QB . . 5.020 3.573 3.433 3.970 . 0 0 "[ . 1 . 2]" 1
542 1 33 ILE H 1 52 VAL HA . . 4.520 4.489 4.475 4.502 . 0 0 "[ . 1 . 2]" 1
543 1 33 ILE H 1 53 VAL MG2 . . 4.600 4.514 4.363 4.570 . 0 0 "[ . 1 . 2]" 1
544 1 33 ILE HA 1 33 ILE MD . . 3.200 2.027 1.972 2.110 . 0 0 "[ . 1 . 2]" 1
545 1 33 ILE HA 1 33 ILE MG . . 3.230 2.453 2.361 2.504 . 0 0 "[ . 1 . 2]" 1
546 1 33 ILE HA 1 34 SER H . . 3.080 2.207 2.181 2.226 . 0 0 "[ . 1 . 2]" 1
547 1 33 ILE HA 1 35 SER H . . 4.380 4.168 4.023 4.341 . 0 0 "[ . 1 . 2]" 1
548 1 33 ILE HB 1 34 SER H . . 5.160 4.535 4.486 4.569 . 0 0 "[ . 1 . 2]" 1
549 1 33 ILE HB 1 47 VAL MG1 . . 4.230 3.859 3.683 4.264 0.034 13 0 "[ . 1 . 2]" 1
550 1 33 ILE HB 1 49 ILE HA . . 3.490 2.292 2.096 2.530 . 0 0 "[ . 1 . 2]" 1
551 1 33 ILE HB 1 50 GLY H . . 3.640 2.373 2.156 2.504 . 0 0 "[ . 1 . 2]" 1
552 1 33 ILE HB 1 51 ASP H . . 3.680 3.044 2.959 3.113 . 0 0 "[ . 1 . 2]" 1
553 1 33 ILE HB 1 51 ASP QB . . 4.150 3.271 3.115 3.533 . 0 0 "[ . 1 . 2]" 1
554 1 33 ILE MD 1 33 ILE MG . . 2.580 1.921 1.897 1.949 . 0 0 "[ . 1 . 2]" 1
555 1 33 ILE MD 1 34 SER H . . 4.260 3.722 3.549 3.836 . 0 0 "[ . 1 . 2]" 1
556 1 33 ILE MD 1 35 SER H . . 5.470 4.701 4.436 4.918 . 0 0 "[ . 1 . 2]" 1
557 1 33 ILE MD 1 47 VAL MG1 . . 3.240 2.606 2.225 3.215 . 0 0 "[ . 1 . 2]" 1
558 1 33 ILE MD 1 51 ASP QB . . 4.170 3.327 3.155 3.686 . 0 0 "[ . 1 . 2]" 1
559 1 33 ILE MD 1 53 VAL MG2 . . 3.130 2.740 2.490 2.918 . 0 0 "[ . 1 . 2]" 1
560 1 33 ILE MD 1 84 LEU MD1 . . 4.580 4.065 3.701 4.596 0.016 17 0 "[ . 1 . 2]" 1
561 1 33 ILE MD 1 84 LEU MD2 . . 3.530 3.356 3.057 3.523 . 0 0 "[ . 1 . 2]" 1
562 1 33 ILE HG12 1 33 ILE MG . . 3.420 3.226 3.223 3.236 . 0 0 "[ . 1 . 2]" 1
563 1 33 ILE HG12 1 51 ASP H . . 4.870 3.459 3.321 3.703 . 0 0 "[ . 1 . 2]" 1
564 1 33 ILE HG12 1 51 ASP QB . . 3.920 2.207 1.987 2.652 . 0 0 "[ . 1 . 2]" 1
565 1 33 ILE HG12 1 53 VAL MG2 . . 3.650 3.544 3.318 3.698 0.048 3 0 "[ . 1 . 2]" 1
566 1 33 ILE HG13 1 33 ILE MG . . 3.350 2.471 2.373 2.565 . 0 0 "[ . 1 . 2]" 1
567 1 33 ILE HG13 1 47 VAL MG1 . . 3.120 2.316 2.109 2.741 . 0 0 "[ . 1 . 2]" 1
568 1 33 ILE HG13 1 51 ASP H . . 4.590 3.581 3.156 3.972 . 0 0 "[ . 1 . 2]" 1
569 1 33 ILE HG13 1 51 ASP QB . . 3.780 2.105 1.986 2.407 . 0 0 "[ . 1 . 2]" 1
570 1 33 ILE MG 1 34 SER H . . 3.660 3.156 2.953 3.296 . 0 0 "[ . 1 . 2]" 1
571 1 33 ILE MG 1 35 SER H . . 3.480 2.700 2.466 3.091 . 0 0 "[ . 1 . 2]" 1
572 1 33 ILE MG 1 49 ILE H . . 4.690 4.397 3.997 4.695 0.005 12 0 "[ . 1 . 2]" 1
573 1 33 ILE MG 1 49 ILE HA . . 3.090 2.685 2.459 2.859 . 0 0 "[ . 1 . 2]" 1
574 1 33 ILE MG 1 50 GLY H . . 3.850 3.801 3.665 3.879 0.029 18 0 "[ . 1 . 2]" 1
575 1 33 ILE MG 1 51 ASP H . . 4.430 4.382 4.327 4.406 . 0 0 "[ . 1 . 2]" 1
576 1 33 ILE MG 1 51 ASP QB . . 4.640 3.983 3.855 4.231 . 0 0 "[ . 1 . 2]" 1
577 1 34 SER H 1 34 SER HB2 . . 4.010 2.956 2.186 3.180 . 0 0 "[ . 1 . 2]" 1
578 1 34 SER H 1 34 SER HB3 . . 3.650 2.158 2.018 2.819 . 0 0 "[ . 1 . 2]" 1
579 1 34 SER H 1 35 SER H . . 3.090 3.042 2.897 3.085 . 0 0 "[ . 1 . 2]" 1
580 1 34 SER HB2 1 35 SER H . . 4.440 3.860 3.465 4.003 . 0 0 "[ . 1 . 2]" 1
581 1 34 SER HB3 1 35 SER H . . 4.340 2.756 2.035 3.040 . 0 0 "[ . 1 . 2]" 1
582 1 35 SER H 1 35 SER HB2 . . 4.010 2.838 2.724 2.930 . 0 0 "[ . 1 . 2]" 1
583 1 35 SER H 1 35 SER HB3 . . 4.150 3.536 3.484 3.599 . 0 0 "[ . 1 . 2]" 1
584 1 35 SER H 1 35 SER HG . . 4.700 4.258 4.079 4.607 . 0 0 "[ . 1 . 2]" 1
585 1 35 SER H 1 36 LEU H . . 4.800 4.374 4.343 4.400 . 0 0 "[ . 1 . 2]" 1
586 1 35 SER H 1 49 ILE MD . . 4.320 4.026 3.344 4.348 0.028 14 0 "[ . 1 . 2]" 1
587 1 35 SER HA 1 36 LEU H . . 2.930 2.666 2.620 2.771 . 0 0 "[ . 1 . 2]" 1
588 1 35 SER HA 1 36 LEU HB2 . . 4.950 4.022 3.856 4.149 . 0 0 "[ . 1 . 2]" 1
589 1 35 SER HA 1 49 ILE MD . . 3.130 1.959 1.870 2.094 . 0 0 "[ . 1 . 2]" 1
590 1 35 SER HA 1 49 ILE HG12 . . 4.650 3.197 2.353 4.351 . 0 0 "[ . 1 . 2]" 1
591 1 35 SER HA 1 49 ILE HG13 . . 3.980 3.686 3.042 4.179 0.199 20 0 "[ . 1 . 2]" 1
592 1 35 SER HB2 1 36 LEU H . . 3.820 3.812 3.675 3.865 0.045 8 0 "[ . 1 . 2]" 1
593 1 35 SER HB2 1 49 ILE MD . . 4.300 4.202 3.919 4.400 0.100 13 0 "[ . 1 . 2]" 1
594 1 35 SER HB3 1 36 LEU H . . 3.470 2.380 2.187 2.462 . 0 0 "[ . 1 . 2]" 1
595 1 35 SER HB3 1 49 ILE MD . . 4.150 3.960 3.771 4.186 0.036 1 0 "[ . 1 . 2]" 1
596 1 35 SER HG 1 36 LEU H . . 5.430 3.537 2.612 4.251 . 0 0 "[ . 1 . 2]" 1
597 1 36 LEU H 1 36 LEU HB2 . . 3.710 2.548 2.371 2.920 . 0 0 "[ . 1 . 2]" 1
598 1 36 LEU H 1 36 LEU HB3 . . 3.500 3.327 3.258 3.465 . 0 0 "[ . 1 . 2]" 1
599 1 36 LEU H 1 36 LEU QD . . 3.500 3.474 3.187 4.070 0.570 13 4 "[* .*- 1 + . 2]" 1
600 1 36 LEU H 1 36 LEU HG . . 4.960 4.605 4.369 4.957 . 0 0 "[ . 1 . 2]" 1
601 1 36 LEU H 1 37 LYS H . . 4.800 4.456 4.349 4.513 . 0 0 "[ . 1 . 2]" 1
602 1 36 LEU H 1 49 ILE MD . . 3.410 2.912 2.607 3.365 . 0 0 "[ . 1 . 2]" 1
603 1 36 LEU H 1 49 ILE HG12 . . 4.800 4.245 3.865 4.715 . 0 0 "[ . 1 . 2]" 1
604 1 36 LEU HA 1 36 LEU QD . . 3.360 2.042 1.866 2.627 . 0 0 "[ . 1 . 2]" 1
605 1 36 LEU HA 1 37 LYS H . . 3.060 2.439 2.313 2.518 . 0 0 "[ . 1 . 2]" 1
606 1 36 LEU HB2 1 36 LEU QD . . 3.160 2.318 2.010 2.452 . 0 0 "[ . 1 . 2]" 1
607 1 36 LEU HB2 1 37 LYS H . . 4.380 4.126 3.988 4.318 . 0 0 "[ . 1 . 2]" 1
608 1 36 LEU HB2 1 43 SER QB . . 4.240 4.623 4.201 5.091 0.851 6 6 "[* -.+** 1 * . 2]" 1
609 1 36 LEU HB3 1 36 LEU QD . . 3.140 2.112 2.033 2.380 . 0 0 "[ . 1 . 2]" 1
610 1 36 LEU HB3 1 37 LYS H . . 3.830 2.912 2.625 3.282 . 0 0 "[ . 1 . 2]" 1
611 1 36 LEU HB3 1 37 LYS HA . . 4.810 4.422 4.283 4.590 . 0 0 "[ . 1 . 2]" 1
612 1 36 LEU HB3 1 43 SER H . . 4.790 4.770 4.667 4.819 0.029 16 0 "[ . 1 . 2]" 1
613 1 36 LEU HB3 1 43 SER QB . . 3.940 3.420 3.048 3.816 . 0 0 "[ . 1 . 2]" 1
614 1 36 LEU QD 1 37 LYS H . . 4.360 2.073 1.885 2.403 . 0 0 "[ . 1 . 2]" 1
615 1 36 LEU QD 1 42 ALA MB . . 2.890 1.765 1.563 1.951 . 0 0 "[ . 1 . 2]" 1
616 1 36 LEU QD 1 43 SER H . . 4.180 1.910 1.810 1.973 . 0 0 "[ . 1 . 2]" 1
617 1 36 LEU QD 1 43 SER HA . . 3.500 2.382 1.998 3.131 . 0 0 "[ . 1 . 2]" 1
618 1 36 LEU QD 1 43 SER QB . . 3.820 1.989 1.747 2.588 . 0 0 "[ . 1 . 2]" 1
619 1 36 LEU QD 1 48 ARG HA . . 3.520 3.694 3.289 3.988 0.468 4 0 "[ . 1 . 2]" 1
620 1 37 LYS H 1 37 LYS HB2 . . 3.540 2.968 2.801 3.140 . 0 0 "[ . 1 . 2]" 1
621 1 37 LYS H 1 37 LYS HB3 . . 3.430 2.455 2.267 2.582 . 0 0 "[ . 1 . 2]" 1
622 1 37 LYS H 1 37 LYS QG . . 4.430 3.933 3.777 3.999 . 0 0 "[ . 1 . 2]" 1
623 1 37 LYS H 1 40 GLY H . . 5.180 4.140 3.764 4.508 . 0 0 "[ . 1 . 2]" 1
624 1 37 LYS HA 1 37 LYS HD2 . . 4.540 3.778 3.237 4.466 . 0 0 "[ . 1 . 2]" 1
625 1 37 LYS HA 1 37 LYS QG . . 3.610 2.431 2.314 2.618 . 0 0 "[ . 1 . 2]" 1
626 1 37 LYS HB3 1 40 GLY H . . 4.600 4.106 3.789 4.385 . 0 0 "[ . 1 . 2]" 1
627 1 37 LYS HB3 1 40 GLY HA3 . . 4.280 2.710 2.476 3.036 . 0 0 "[ . 1 . 2]" 1
628 1 37 LYS QE 1 37 LYS QG . . 3.300 2.081 1.952 2.223 . 0 0 "[ . 1 . 2]" 1
629 1 37 LYS QG 1 38 ASP H . . 5.500 2.242 1.946 2.480 . 0 0 "[ . 1 . 2]" 1
630 1 37 LYS QG 1 38 ASP QB . . 4.530 3.258 2.842 3.836 . 0 0 "[ . 1 . 2]" 1
631 1 37 LYS QG 1 40 GLY H . . 4.490 4.192 3.817 4.410 . 0 0 "[ . 1 . 2]" 1
632 1 38 ASP HA 1 39 GLY H . . 3.170 2.257 2.252 2.269 . 0 0 "[ . 1 . 2]" 1
633 1 38 ASP HA 1 40 GLY H . . 4.260 4.092 3.810 4.215 . 0 0 "[ . 1 . 2]" 1
634 1 38 ASP QB 1 39 GLY H . . 4.450 3.547 3.283 3.860 . 0 0 "[ . 1 . 2]" 1
635 1 38 ASP QB 1 39 GLY HA2 . . 5.110 4.990 4.804 5.418 0.308 8 0 "[ . 1 . 2]" 1
636 1 39 GLY H 1 40 GLY H . . 3.820 2.950 2.660 3.147 . 0 0 "[ . 1 . 2]" 1
637 1 40 GLY H 1 41 LYS H . . 4.730 4.518 4.189 4.622 . 0 0 "[ . 1 . 2]" 1
638 1 40 GLY H 1 43 SER H . . 5.110 3.744 3.350 4.105 . 0 0 "[ . 1 . 2]" 1
639 1 40 GLY H 1 43 SER QB . . 4.110 2.650 2.040 3.556 . 0 0 "[ . 1 . 2]" 1
640 1 40 GLY HA2 1 41 LYS H . . 3.400 2.545 2.343 3.050 . 0 0 "[ . 1 . 2]" 1
641 1 40 GLY HA3 1 41 LYS H . . 3.310 2.717 2.280 2.948 . 0 0 "[ . 1 . 2]" 1
642 1 41 LYS H 1 41 LYS HB2 . . 3.550 2.367 2.231 2.516 . 0 0 "[ . 1 . 2]" 1
643 1 41 LYS H 1 41 LYS HB3 . . 3.890 3.531 3.491 3.606 . 0 0 "[ . 1 . 2]" 1
644 1 41 LYS H 1 41 LYS HD2 . . 5.300 3.377 2.094 5.262 . 0 0 "[ . 1 . 2]" 1
645 1 41 LYS H 1 41 LYS QE . . 5.180 3.374 2.177 4.893 . 0 0 "[ . 1 . 2]" 1
646 1 41 LYS H 1 41 LYS QG . . 3.400 2.695 2.397 2.934 . 0 0 "[ . 1 . 2]" 1
647 1 41 LYS H 1 42 ALA H . . 3.860 2.847 2.303 3.161 . 0 0 "[ . 1 . 2]" 1
648 1 41 LYS H 1 42 ALA MB . . 5.330 4.246 3.816 4.496 . 0 0 "[ . 1 . 2]" 1
649 1 41 LYS HA 1 41 LYS QE . . 4.770 3.299 2.432 3.719 . 0 0 "[ . 1 . 2]" 1
650 1 41 LYS HA 1 41 LYS QG . . 3.280 2.174 2.084 2.356 . 0 0 "[ . 1 . 2]" 1
651 1 41 LYS HA 1 44 GLN H . . 3.970 3.346 3.170 3.479 . 0 0 "[ . 1 . 2]" 1
652 1 41 LYS HA 1 44 GLN HE21 . . 4.580 3.775 2.385 5.462 0.882 17 5 "[ * * * -. + 2]" 1
653 1 41 LYS HA 1 44 GLN HE22 . . 5.500 4.491 3.445 5.287 . 0 0 "[ . 1 . 2]" 1
654 1 41 LYS HA 1 44 GLN HG3 . . 4.420 3.694 3.086 4.112 . 0 0 "[ . 1 . 2]" 1
655 1 41 LYS HB2 1 41 LYS HD2 . . 3.900 2.684 2.000 4.026 0.126 13 0 "[ . 1 . 2]" 1
656 1 41 LYS HB2 1 42 ALA H . . 3.800 2.520 2.369 2.735 . 0 0 "[ . 1 . 2]" 1
657 1 41 LYS HB3 1 42 ALA H . . 4.240 3.357 2.997 3.869 . 0 0 "[ . 1 . 2]" 1
658 1 41 LYS QE 1 41 LYS QG . . 3.450 2.006 1.947 2.135 . 0 0 "[ . 1 . 2]" 1
659 1 41 LYS QG 1 42 ALA H . . 4.830 4.275 3.950 4.426 . 0 0 "[ . 1 . 2]" 1
660 1 42 ALA H 1 42 ALA MB . . 3.030 2.029 1.946 2.176 . 0 0 "[ . 1 . 2]" 1
661 1 42 ALA H 1 43 SER H . . 3.680 3.053 2.653 3.207 . 0 0 "[ . 1 . 2]" 1
662 1 42 ALA HA 1 45 ALA H . . 3.650 3.308 3.062 3.417 . 0 0 "[ . 1 . 2]" 1
663 1 42 ALA HA 1 45 ALA MB . . 3.290 2.502 1.962 2.788 . 0 0 "[ . 1 . 2]" 1
664 1 42 ALA HA 1 47 VAL H . . 4.670 4.507 4.145 4.644 . 0 0 "[ . 1 . 2]" 1
665 1 42 ALA HA 1 47 VAL HB . . 4.330 3.261 3.030 3.573 . 0 0 "[ . 1 . 2]" 1
666 1 42 ALA HA 1 47 VAL MG1 . . 4.310 3.993 3.789 4.211 . 0 0 "[ . 1 . 2]" 1
667 1 42 ALA HA 1 47 VAL MG2 . . 3.600 2.647 2.226 3.034 . 0 0 "[ . 1 . 2]" 1
668 1 42 ALA MB 1 43 SER H . . 3.500 2.423 2.249 2.746 . 0 0 "[ . 1 . 2]" 1
669 1 42 ALA MB 1 43 SER HA . . 4.430 3.651 3.563 3.758 . 0 0 "[ . 1 . 2]" 1
670 1 42 ALA MB 1 47 VAL H . . 4.150 4.119 3.935 4.268 0.118 3 0 "[ . 1 . 2]" 1
671 1 42 ALA MB 1 47 VAL HB . . 3.070 2.361 2.046 2.647 . 0 0 "[ . 1 . 2]" 1
672 1 42 ALA MB 1 47 VAL MG1 . . 2.850 2.550 2.039 2.868 0.018 16 0 "[ . 1 . 2]" 1
673 1 42 ALA MB 1 47 VAL MG2 . . 3.210 2.977 2.680 3.240 0.030 4 0 "[ . 1 . 2]" 1
674 1 43 SER H 1 43 SER QB . . 3.170 2.266 2.106 2.652 . 0 0 "[ . 1 . 2]" 1
675 1 43 SER H 1 44 GLN H . . 3.590 2.861 2.661 2.933 . 0 0 "[ . 1 . 2]" 1
676 1 43 SER H 1 45 ALA H . . 5.040 3.942 3.769 4.036 . 0 0 "[ . 1 . 2]" 1
677 1 43 SER HA 1 45 ALA H . . 4.330 3.858 3.787 3.936 . 0 0 "[ . 1 . 2]" 1
678 1 43 SER HA 1 46 HIS H . . 4.430 3.793 3.594 4.220 . 0 0 "[ . 1 . 2]" 1
679 1 43 SER HA 1 47 VAL H . . 4.050 2.580 2.318 3.163 . 0 0 "[ . 1 . 2]" 1
680 1 43 SER QB 1 44 GLN H . . 3.850 2.919 2.472 3.538 . 0 0 "[ . 1 . 2]" 1
681 1 44 GLN H 1 44 GLN HB3 . . 3.220 3.426 2.214 3.540 0.320 3 0 "[ . 1 . 2]" 1
682 1 44 GLN H 1 44 GLN HG2 . . 3.830 3.533 2.844 3.788 . 0 0 "[ . 1 . 2]" 1
683 1 44 GLN H 1 44 GLN HG3 . . 3.490 2.731 2.335 3.941 0.451 20 0 "[ . 1 . 2]" 1
684 1 44 GLN H 1 45 ALA H . . 3.390 2.640 2.383 2.732 . 0 0 "[ . 1 . 2]" 1
685 1 44 GLN H 1 46 HIS H . . 5.000 4.123 4.005 4.337 . 0 0 "[ . 1 . 2]" 1
686 1 44 GLN HA 1 44 GLN HB2 . . 3.010 2.979 2.280 3.045 0.035 3 0 "[ . 1 . 2]" 1
687 1 44 GLN HA 1 44 GLN HG2 . . 3.290 2.350 2.136 3.782 0.492 20 0 "[ . 1 . 2]" 1
688 1 44 GLN HA 1 44 GLN HG3 . . 3.620 2.964 2.693 3.474 . 0 0 "[ . 1 . 2]" 1
689 1 44 GLN HA 1 46 HIS H . . 4.310 3.351 3.218 3.421 . 0 0 "[ . 1 . 2]" 1
690 1 44 GLN HA 1 46 HIS HD2 . . 5.210 4.236 3.552 5.231 0.021 3 0 "[ . 1 . 2]" 1
691 1 44 GLN HB2 1 44 GLN HE21 . . 4.100 3.297 2.561 4.451 0.351 5 0 "[ . 1 . 2]" 1
692 1 44 GLN HB2 1 44 GLN HE22 . . 5.500 4.182 3.845 4.694 . 0 0 "[ . 1 . 2]" 1
693 1 44 GLN HB2 1 44 GLN HG2 . . 3.010 3.036 2.930 3.056 0.046 2 0 "[ . 1 . 2]" 1
694 1 44 GLN HB3 1 45 ALA H . . 3.870 3.845 3.662 4.047 0.177 3 0 "[ . 1 . 2]" 1
695 1 44 GLN HG2 1 45 ALA H . . 5.460 5.043 2.986 5.292 . 0 0 "[ . 1 . 2]" 1
696 1 44 GLN HG3 1 45 ALA H . . 5.090 4.803 3.695 5.046 . 0 0 "[ . 1 . 2]" 1
697 1 45 ALA H 1 45 ALA MB . . 2.940 2.174 2.042 2.278 . 0 0 "[ . 1 . 2]" 1
698 1 45 ALA H 1 46 HIS H . . 3.280 2.619 2.507 2.793 . 0 0 "[ . 1 . 2]" 1
699 1 45 ALA H 1 46 HIS HA . . 4.600 4.638 4.548 4.678 0.078 20 0 "[ . 1 . 2]" 1
700 1 45 ALA HA 1 46 HIS HD2 . . 4.480 3.357 2.491 3.999 . 0 0 "[ . 1 . 2]" 1
701 1 45 ALA MB 1 46 HIS H . . 3.960 3.545 3.467 3.661 . 0 0 "[ . 1 . 2]" 1
702 1 45 ALA MB 1 46 HIS HD2 . . 5.140 4.652 3.976 5.144 0.004 11 0 "[ . 1 . 2]" 1
703 1 45 ALA MB 1 47 VAL H . . 4.030 3.602 3.349 3.867 . 0 0 "[ . 1 . 2]" 1
704 1 46 HIS H 1 46 HIS HA . . 2.860 2.194 2.192 2.206 . 0 0 "[ . 1 . 2]" 1
705 1 46 HIS H 1 46 HIS HD2 . . 4.930 2.792 2.361 3.228 . 0 0 "[ . 1 . 2]" 1
706 1 46 HIS H 1 47 VAL H . . 3.450 2.696 2.563 2.944 . 0 0 "[ . 1 . 2]" 1
707 1 46 HIS H 1 47 VAL MG2 . . 4.500 3.907 3.654 4.202 . 0 0 "[ . 1 . 2]" 1
708 1 46 HIS HA 1 46 HIS HD2 . . 4.640 3.487 2.812 4.064 . 0 0 "[ . 1 . 2]" 1
709 1 46 HIS HA 1 47 VAL H . . 3.500 2.785 2.680 2.908 . 0 0 "[ . 1 . 2]" 1
710 1 46 HIS HB2 1 46 HIS HD2 . . 3.990 3.131 2.982 3.432 . 0 0 "[ . 1 . 2]" 1
711 1 46 HIS HB3 1 47 VAL H . . 5.110 4.495 4.449 4.552 . 0 0 "[ . 1 . 2]" 1
712 1 47 VAL H 1 47 VAL HB . . 3.110 2.397 2.231 2.532 . 0 0 "[ . 1 . 2]" 1
713 1 47 VAL H 1 47 VAL MG2 . . 3.070 2.615 2.395 2.896 . 0 0 "[ . 1 . 2]" 1
714 1 47 VAL H 1 48 ARG H . . 5.180 4.292 4.100 4.416 . 0 0 "[ . 1 . 2]" 1
715 1 47 VAL HA 1 47 VAL MG1 . . 2.790 2.423 2.321 2.527 . 0 0 "[ . 1 . 2]" 1
716 1 47 VAL HA 1 47 VAL MG2 . . 2.940 2.323 2.167 2.496 . 0 0 "[ . 1 . 2]" 1
717 1 47 VAL HA 1 48 ARG H . . 2.930 2.197 2.182 2.235 . 0 0 "[ . 1 . 2]" 1
718 1 47 VAL HA 1 48 ARG QG . . 4.690 4.583 3.839 4.748 0.058 19 0 "[ . 1 . 2]" 1
719 1 47 VAL HB 1 48 ARG H . . 4.820 4.473 4.355 4.596 . 0 0 "[ . 1 . 2]" 1
720 1 47 VAL MG1 1 48 ARG H . . 3.160 2.989 2.667 3.240 0.080 3 0 "[ . 1 . 2]" 1
721 1 47 VAL MG1 1 51 ASP QB . . 3.620 2.779 2.330 3.096 . 0 0 "[ . 1 . 2]" 1
722 1 48 ARG H 1 48 ARG QB . . 3.450 2.286 2.185 3.028 . 0 0 "[ . 1 . 2]" 1
723 1 48 ARG H 1 48 ARG HD2 . . 4.920 4.480 3.522 4.926 0.006 3 0 "[ . 1 . 2]" 1
724 1 48 ARG H 1 48 ARG HD3 . . 5.010 4.489 2.076 5.043 0.033 7 0 "[ . 1 . 2]" 1
725 1 48 ARG H 1 48 ARG QG . . 3.810 3.155 1.934 3.462 . 0 0 "[ . 1 . 2]" 1
726 1 48 ARG H 1 48 ARG QH1 . . 4.590 4.946 3.497 5.381 0.791 4 9 "[ * +- * **** * 2]" 1
727 1 48 ARG H 1 51 ASP H . . 5.330 4.711 4.517 5.021 . 0 0 "[ . 1 . 2]" 1
728 1 48 ARG H 1 51 ASP QB . . 4.590 4.125 3.738 4.265 . 0 0 "[ . 1 . 2]" 1
729 1 48 ARG HA 1 48 ARG HD2 . . 4.450 4.261 3.422 4.590 0.140 11 0 "[ . 1 . 2]" 1
730 1 48 ARG HA 1 48 ARG HD3 . . 4.490 3.783 2.000 4.573 0.083 12 0 "[ . 1 . 2]" 1
731 1 48 ARG HA 1 49 ILE H . . 3.080 2.469 2.272 2.552 . 0 0 "[ . 1 . 2]" 1
732 1 48 ARG HA 1 49 ILE HG12 . . 4.770 4.685 3.877 5.404 0.634 5 1 "[ + 1 . 2]" 1
733 1 48 ARG QB 1 48 ARG HD2 . . 3.350 2.732 2.344 3.441 0.091 16 0 "[ . 1 . 2]" 1
734 1 48 ARG QB 1 48 ARG HD3 . . 3.420 3.063 2.423 3.348 . 0 0 "[ . 1 . 2]" 1
735 1 48 ARG QB 1 49 ILE H . . 3.690 2.598 2.338 3.191 . 0 0 "[ . 1 . 2]" 1
736 1 48 ARG QB 1 51 ASP H . . 5.270 4.426 4.190 4.849 . 0 0 "[ . 1 . 2]" 1
737 1 48 ARG QG 1 49 ILE H . . 4.140 3.652 3.272 4.176 0.036 18 0 "[ . 1 . 2]" 1
738 1 49 ILE H 1 49 ILE HB . . 3.080 2.259 2.132 2.391 . 0 0 "[ . 1 . 2]" 1
739 1 49 ILE H 1 49 ILE HG12 . . 3.350 3.120 2.157 3.737 0.387 5 0 "[ . 1 . 2]" 1
740 1 49 ILE H 1 49 ILE HG13 . . 3.700 2.785 2.277 3.748 0.048 18 0 "[ . 1 . 2]" 1
741 1 49 ILE H 1 49 ILE MG . . 3.680 3.654 3.576 3.705 0.025 20 0 "[ . 1 . 2]" 1
742 1 49 ILE H 1 50 GLY H . . 5.380 4.613 4.578 4.643 . 0 0 "[ . 1 . 2]" 1
743 1 49 ILE HA 1 49 ILE MD . . 3.500 3.233 1.915 3.694 0.194 5 0 "[ . 1 . 2]" 1
744 1 49 ILE HA 1 49 ILE HG12 . . 3.990 2.389 2.147 3.173 . 0 0 "[ . 1 . 2]" 1
745 1 49 ILE HA 1 49 ILE HG13 . . 3.790 3.240 2.826 3.650 . 0 0 "[ . 1 . 2]" 1
746 1 49 ILE HA 1 49 ILE MG . . 2.860 2.566 2.421 2.650 . 0 0 "[ . 1 . 2]" 1
747 1 49 ILE HA 1 50 GLY H . . 2.810 2.227 2.200 2.265 . 0 0 "[ . 1 . 2]" 1
748 1 49 ILE HA 1 50 GLY HA3 . . 4.390 4.424 4.410 4.445 0.055 4 0 "[ . 1 . 2]" 1
749 1 49 ILE HA 1 51 ASP H . . 4.100 3.233 3.162 3.311 . 0 0 "[ . 1 . 2]" 1
750 1 49 ILE HB 1 50 GLY H . . 4.590 4.293 4.116 4.424 . 0 0 "[ . 1 . 2]" 1
751 1 49 ILE MD 1 50 GLY H . . 4.530 4.291 2.983 4.594 0.064 5 0 "[ . 1 . 2]" 1
752 1 49 ILE HG13 1 50 GLY H . . 5.100 5.153 4.826 5.229 0.129 8 0 "[ . 1 . 2]" 1
753 1 49 ILE MG 1 50 GLY H . . 3.350 2.569 2.195 2.761 . 0 0 "[ . 1 . 2]" 1
754 1 49 ILE MG 1 50 GLY HA2 . . 4.350 3.326 3.130 3.436 . 0 0 "[ . 1 . 2]" 1
755 1 49 ILE MG 1 50 GLY HA3 . . 3.760 3.424 3.321 3.603 . 0 0 "[ . 1 . 2]" 1
756 1 49 ILE MG 1 51 ASP H . . 5.160 4.346 4.186 4.452 . 0 0 "[ . 1 . 2]" 1
757 1 50 GLY H 1 51 ASP H . . 3.780 2.395 2.256 2.543 . 0 0 "[ . 1 . 2]" 1
758 1 50 GLY H 1 51 ASP QB . . 5.500 4.045 3.798 4.168 . 0 0 "[ . 1 . 2]" 1
759 1 51 ASP H 1 51 ASP QB . . 3.540 2.324 2.008 2.449 . 0 0 "[ . 1 . 2]" 1
760 1 51 ASP HA 1 52 VAL H . . 3.010 2.281 2.258 2.393 . 0 0 "[ . 1 . 2]" 1
761 1 51 ASP HA 1 52 VAL HB . . 4.500 4.541 4.496 4.564 0.064 15 0 "[ . 1 . 2]" 1
762 1 51 ASP HA 1 52 VAL MG2 . . 4.110 3.717 3.644 3.789 . 0 0 "[ . 1 . 2]" 1
763 1 51 ASP QB 1 52 VAL H . . 3.870 3.273 3.155 3.471 . 0 0 "[ . 1 . 2]" 1
764 1 51 ASP QB 1 84 LEU HB2 . . 4.430 4.299 3.947 4.361 . 0 0 "[ . 1 . 2]" 1
765 1 51 ASP QB 1 84 LEU HB3 . . 3.860 2.816 2.431 3.097 . 0 0 "[ . 1 . 2]" 1
766 1 51 ASP QB 1 84 LEU MD1 . . 4.080 2.517 2.097 3.361 . 0 0 "[ . 1 . 2]" 1
767 1 51 ASP QB 1 84 LEU MD2 . . 3.470 2.546 2.281 3.250 . 0 0 "[ . 1 . 2]" 1
768 1 52 VAL H 1 52 VAL HB . . 3.190 2.361 2.319 2.491 . 0 0 "[ . 1 . 2]" 1
769 1 52 VAL H 1 52 VAL MG1 . . 4.270 3.719 3.701 3.764 . 0 0 "[ . 1 . 2]" 1
770 1 52 VAL H 1 52 VAL MG2 . . 3.190 2.632 2.538 2.918 . 0 0 "[ . 1 . 2]" 1
771 1 52 VAL H 1 84 LEU HA . . 5.210 4.355 3.868 4.657 . 0 0 "[ . 1 . 2]" 1
772 1 52 VAL H 1 84 LEU MD2 . . 4.710 4.189 4.036 4.359 . 0 0 "[ . 1 . 2]" 1
773 1 52 VAL H 1 85 GLN H . . 3.960 2.776 2.408 3.011 . 0 0 "[ . 1 . 2]" 1
774 1 52 VAL H 1 85 GLN HB2 . . 4.610 4.651 4.587 4.676 0.066 11 0 "[ . 1 . 2]" 1
775 1 52 VAL H 1 85 GLN HB3 . . 4.570 3.043 2.983 3.173 . 0 0 "[ . 1 . 2]" 1
776 1 52 VAL HA 1 52 VAL MG1 . . 3.100 2.460 2.371 2.525 . 0 0 "[ . 1 . 2]" 1
777 1 52 VAL HA 1 52 VAL MG2 . . 3.070 2.330 2.248 2.370 . 0 0 "[ . 1 . 2]" 1
778 1 52 VAL HA 1 53 VAL H . . 3.000 2.207 2.182 2.247 . 0 0 "[ . 1 . 2]" 1
779 1 52 VAL HA 1 53 VAL MG2 . . 3.930 3.379 3.241 3.614 . 0 0 "[ . 1 . 2]" 1
780 1 52 VAL HA 1 85 GLN HB3 . . 4.750 4.739 4.668 4.790 0.040 11 0 "[ . 1 . 2]" 1
781 1 52 VAL HB 1 53 VAL H . . 4.690 4.299 4.167 4.451 . 0 0 "[ . 1 . 2]" 1
782 1 52 VAL HB 1 85 GLN H . . 4.100 3.432 3.269 3.498 . 0 0 "[ . 1 . 2]" 1
783 1 52 VAL HB 1 85 GLN HG2 . . 4.090 4.059 3.525 4.744 0.654 5 3 "[ * + -1 . 2]" 1
784 1 52 VAL MG1 1 53 VAL H . . 3.160 2.576 2.316 2.962 . 0 0 "[ . 1 . 2]" 1
785 1 52 VAL MG1 1 53 VAL HA . . 4.590 3.987 3.835 4.099 . 0 0 "[ . 1 . 2]" 1
786 1 52 VAL MG1 1 54 LEU HG . . 4.000 3.488 3.305 3.675 . 0 0 "[ . 1 . 2]" 1
787 1 52 VAL MG1 1 85 GLN H . . 4.400 4.382 4.239 4.458 0.058 11 0 "[ . 1 . 2]" 1
788 1 52 VAL MG2 1 53 VAL H . . 4.110 4.038 3.976 4.116 0.006 17 0 "[ . 1 . 2]" 1
789 1 52 VAL MG2 1 85 GLN H . . 4.640 4.594 4.482 4.685 0.045 14 0 "[ . 1 . 2]" 1
790 1 52 VAL MG2 1 85 GLN HB2 . . 4.640 4.696 4.663 4.742 0.102 11 0 "[ . 1 . 2]" 1
791 1 52 VAL MG2 1 85 GLN HB3 . . 4.420 3.457 3.400 3.553 . 0 0 "[ . 1 . 2]" 1
792 1 52 VAL MG2 1 85 GLN HE21 . . 5.270 4.084 2.306 5.660 0.390 19 0 "[ . 1 . 2]" 1
793 1 53 VAL H 1 53 VAL HB . . 3.210 2.439 2.372 2.486 . 0 0 "[ . 1 . 2]" 1
794 1 53 VAL H 1 53 VAL MG1 . . 3.890 3.733 3.703 3.758 . 0 0 "[ . 1 . 2]" 1
795 1 53 VAL H 1 53 VAL MG2 . . 3.070 2.111 1.915 2.279 . 0 0 "[ . 1 . 2]" 1
796 1 53 VAL H 1 84 LEU MD2 . . 4.250 4.214 4.076 4.292 0.042 17 0 "[ . 1 . 2]" 1
797 1 53 VAL HA 1 53 VAL MG1 . . 2.920 2.362 2.275 2.436 . 0 0 "[ . 1 . 2]" 1
798 1 53 VAL HA 1 53 VAL MG2 . . 3.180 2.455 2.370 2.517 . 0 0 "[ . 1 . 2]" 1
799 1 53 VAL HA 1 54 LEU H . . 2.930 2.205 2.183 2.226 . 0 0 "[ . 1 . 2]" 1
800 1 53 VAL HA 1 54 LEU HA . . 4.440 4.407 4.375 4.432 . 0 0 "[ . 1 . 2]" 1
801 1 53 VAL HA 1 54 LEU HG . . 4.200 4.075 3.879 4.208 0.008 7 0 "[ . 1 . 2]" 1
802 1 53 VAL HA 1 55 SER H . . 4.120 3.665 3.505 3.886 . 0 0 "[ . 1 . 2]" 1
803 1 53 VAL HA 1 61 ALA MB . . 4.730 4.732 4.676 4.777 0.047 8 0 "[ . 1 . 2]" 1
804 1 53 VAL HA 1 84 LEU HA . . 3.560 2.832 2.733 2.951 . 0 0 "[ . 1 . 2]" 1
805 1 53 VAL HA 1 84 LEU MD2 . . 3.110 2.541 2.419 2.618 . 0 0 "[ . 1 . 2]" 1
806 1 53 VAL HA 1 84 LEU HG . . 4.940 4.963 4.775 4.998 0.058 15 0 "[ . 1 . 2]" 1
807 1 53 VAL HA 1 85 GLN H . . 4.530 4.502 4.115 4.588 0.058 17 0 "[ . 1 . 2]" 1
808 1 53 VAL HB 1 61 ALA MB . . 3.800 3.412 3.205 3.580 . 0 0 "[ . 1 . 2]" 1
809 1 53 VAL MG1 1 54 LEU H . . 3.620 3.263 3.003 3.388 . 0 0 "[ . 1 . 2]" 1
810 1 53 VAL MG1 1 55 SER H . . 3.460 2.734 2.511 2.920 . 0 0 "[ . 1 . 2]" 1
811 1 53 VAL MG1 1 61 ALA MB . . 2.990 2.664 2.448 2.833 . 0 0 "[ . 1 . 2]" 1
812 1 53 VAL MG1 1 82 MET HB2 . . 4.030 3.222 3.008 3.538 . 0 0 "[ . 1 . 2]" 1
813 1 53 VAL MG1 1 82 MET HB3 . . 3.490 2.187 1.999 2.481 . 0 0 "[ . 1 . 2]" 1
814 1 53 VAL MG1 1 82 MET QG . . 4.200 3.649 3.254 3.859 . 0 0 "[ . 1 . 2]" 1
815 1 53 VAL MG1 1 83 THR H . . 4.270 3.298 2.948 3.750 . 0 0 "[ . 1 . 2]" 1
816 1 53 VAL MG1 1 84 LEU HA . . 4.750 4.374 4.133 4.517 . 0 0 "[ . 1 . 2]" 1
817 1 53 VAL MG2 1 54 LEU H . . 4.340 4.280 4.236 4.324 . 0 0 "[ . 1 . 2]" 1
818 1 53 VAL MG2 1 55 SER H . . 5.090 4.949 4.778 5.156 0.066 14 0 "[ . 1 . 2]" 1
819 1 53 VAL MG2 1 82 MET HB2 . . 4.140 4.069 3.766 4.188 0.048 20 0 "[ . 1 . 2]" 1
820 1 53 VAL MG2 1 82 MET ME . . 3.710 3.025 2.469 3.556 . 0 0 "[ . 1 . 2]" 1
821 1 53 VAL MG2 1 84 LEU HA . . 4.670 4.210 4.094 4.326 . 0 0 "[ . 1 . 2]" 1
822 1 54 LEU H 1 54 LEU HB2 . . 3.600 2.383 2.308 2.482 . 0 0 "[ . 1 . 2]" 1
823 1 54 LEU H 1 54 LEU HB3 . . 3.950 3.541 3.524 3.569 . 0 0 "[ . 1 . 2]" 1
824 1 54 LEU H 1 54 LEU MD1 . . 4.450 3.422 3.281 3.535 . 0 0 "[ . 1 . 2]" 1
825 1 54 LEU H 1 54 LEU MD2 . . 4.130 3.621 3.413 3.785 . 0 0 "[ . 1 . 2]" 1
826 1 54 LEU H 1 54 LEU HG . . 3.710 2.368 2.214 2.576 . 0 0 "[ . 1 . 2]" 1
827 1 54 LEU H 1 55 SER H . . 3.120 2.517 2.351 2.689 . 0 0 "[ . 1 . 2]" 1
828 1 54 LEU H 1 55 SER HA . . 5.350 5.020 4.916 5.119 . 0 0 "[ . 1 . 2]" 1
829 1 54 LEU H 1 83 THR H . . 5.180 4.083 3.783 4.355 . 0 0 "[ . 1 . 2]" 1
830 1 54 LEU H 1 83 THR MG . . 5.500 4.258 3.847 4.429 . 0 0 "[ . 1 . 2]" 1
831 1 54 LEU H 1 84 LEU HA . . 3.530 2.904 2.822 3.041 . 0 0 "[ . 1 . 2]" 1
832 1 54 LEU H 1 84 LEU MD2 . . 3.900 3.639 3.460 3.835 . 0 0 "[ . 1 . 2]" 1
833 1 54 LEU H 1 85 GLN H . . 4.800 4.377 4.102 4.665 . 0 0 "[ . 1 . 2]" 1
834 1 54 LEU HA 1 54 LEU MD1 . . 4.300 3.899 3.871 3.925 . 0 0 "[ . 1 . 2]" 1
835 1 54 LEU HA 1 54 LEU MD2 . . 2.790 2.136 1.980 2.304 . 0 0 "[ . 1 . 2]" 1
836 1 54 LEU HA 1 54 LEU HG . . 4.130 2.926 2.836 3.100 . 0 0 "[ . 1 . 2]" 1
837 1 54 LEU HA 1 61 ALA H . . 5.070 4.294 3.982 4.485 . 0 0 "[ . 1 . 2]" 1
838 1 54 LEU HA 1 61 ALA MB . . 3.760 3.544 3.161 3.790 0.030 9 0 "[ . 1 . 2]" 1
839 1 54 LEU HA 1 62 GLN QG . . 4.740 4.359 3.728 4.771 0.031 8 0 "[ . 1 . 2]" 1
840 1 54 LEU HB2 1 54 LEU MD1 . . 3.050 2.212 2.100 2.339 . 0 0 "[ . 1 . 2]" 1
841 1 54 LEU HB2 1 54 LEU MD2 . . 3.560 3.199 3.188 3.218 . 0 0 "[ . 1 . 2]" 1
842 1 54 LEU HB2 1 55 SER H . . 3.730 2.781 2.607 2.976 . 0 0 "[ . 1 . 2]" 1
843 1 54 LEU HB2 1 83 THR HB . . 3.810 2.162 2.000 2.293 . 0 0 "[ . 1 . 2]" 1
844 1 54 LEU HB2 1 83 THR MG . . 3.710 3.031 2.742 3.232 . 0 0 "[ . 1 . 2]" 1
845 1 54 LEU HB3 1 54 LEU MD1 . . 2.980 2.534 2.411 2.610 . 0 0 "[ . 1 . 2]" 1
846 1 54 LEU HB3 1 54 LEU MD2 . . 3.190 2.293 2.210 2.369 . 0 0 "[ . 1 . 2]" 1
847 1 54 LEU HB3 1 55 SER H . . 4.030 3.768 3.546 4.000 . 0 0 "[ . 1 . 2]" 1
848 1 54 LEU HB3 1 55 SER QB . . 4.720 4.358 4.105 4.547 . 0 0 "[ . 1 . 2]" 1
849 1 54 LEU HB3 1 83 THR HB . . 4.330 3.615 3.362 3.889 . 0 0 "[ . 1 . 2]" 1
850 1 54 LEU MD1 1 83 THR HB . . 4.120 3.254 2.920 3.606 . 0 0 "[ . 1 . 2]" 1
851 1 54 LEU MD1 1 83 THR MG . . 3.290 2.395 2.228 2.601 . 0 0 "[ . 1 . 2]" 1
852 1 54 LEU MD1 1 85 GLN H . . 4.690 3.717 3.516 4.097 . 0 0 "[ . 1 . 2]" 1
853 1 54 LEU MD1 1 85 GLN HB2 . . 3.200 2.094 1.963 2.201 . 0 0 "[ . 1 . 2]" 1
854 1 54 LEU MD1 1 85 GLN HG3 . . 4.290 3.376 3.173 3.921 . 0 0 "[ . 1 . 2]" 1
855 1 54 LEU MD2 1 62 GLN HE21 . . 5.500 4.085 3.025 5.273 . 0 0 "[ . 1 . 2]" 1
856 1 54 LEU MD2 1 62 GLN QG . . 4.720 4.090 3.647 4.361 . 0 0 "[ . 1 . 2]" 1
857 1 54 LEU MD2 1 85 GLN H . . 4.740 4.486 4.275 4.632 . 0 0 "[ . 1 . 2]" 1
858 1 54 LEU MD2 1 85 GLN HB3 . . 3.280 3.219 2.976 3.310 0.030 19 0 "[ . 1 . 2]" 1
859 1 54 LEU MD2 1 85 GLN HE21 . . 4.970 4.038 2.684 4.946 . 0 0 "[ . 1 . 2]" 1
860 1 54 LEU MD2 1 85 GLN HE22 . . 5.210 4.182 3.010 5.173 . 0 0 "[ . 1 . 2]" 1
861 1 54 LEU HG 1 55 SER H . . 4.580 4.455 4.314 4.552 . 0 0 "[ . 1 . 2]" 1
862 1 54 LEU HG 1 83 THR MG . . 4.450 4.306 3.729 4.481 0.031 18 0 "[ . 1 . 2]" 1
863 1 54 LEU HG 1 84 LEU HA . . 3.570 3.509 3.367 3.603 0.033 3 0 "[ . 1 . 2]" 1
864 1 54 LEU HG 1 85 GLN H . . 4.060 3.580 3.359 3.841 . 0 0 "[ . 1 . 2]" 1
865 1 54 LEU HG 1 85 GLN HB2 . . 4.050 2.349 2.226 2.444 . 0 0 "[ . 1 . 2]" 1
866 1 55 SER H 1 56 ILE H . . 4.540 4.417 4.371 4.454 . 0 0 "[ . 1 . 2]" 1
867 1 55 SER H 1 61 ALA H . . 5.290 4.420 4.096 4.724 . 0 0 "[ . 1 . 2]" 1
868 1 55 SER H 1 61 ALA MB . . 4.380 3.677 3.507 3.887 . 0 0 "[ . 1 . 2]" 1
869 1 55 SER H 1 82 MET HA . . 4.620 4.483 4.280 4.583 . 0 0 "[ . 1 . 2]" 1
870 1 55 SER H 1 82 MET HB3 . . 4.960 4.054 3.863 4.370 . 0 0 "[ . 1 . 2]" 1
871 1 55 SER H 1 83 THR H . . 3.850 2.542 2.401 2.692 . 0 0 "[ . 1 . 2]" 1
872 1 55 SER H 1 83 THR HB . . 4.080 2.627 2.395 2.828 . 0 0 "[ . 1 . 2]" 1
873 1 55 SER H 1 83 THR MG . . 4.970 4.284 4.102 4.446 . 0 0 "[ . 1 . 2]" 1
874 1 55 SER H 1 84 LEU HA . . 4.920 4.858 4.806 4.889 . 0 0 "[ . 1 . 2]" 1
875 1 55 SER H 1 84 LEU MD2 . . 4.820 4.631 4.476 4.877 0.057 12 0 "[ . 1 . 2]" 1
876 1 55 SER HA 1 56 ILE H . . 3.010 2.537 2.449 2.622 . 0 0 "[ . 1 . 2]" 1
877 1 55 SER HA 1 60 SER HA . . 3.460 2.793 2.518 3.089 . 0 0 "[ . 1 . 2]" 1
878 1 55 SER HA 1 61 ALA H . . 3.360 2.105 1.923 2.346 . 0 0 "[ . 1 . 2]" 1
879 1 55 SER HA 1 61 ALA MB . . 3.610 2.373 2.044 2.583 . 0 0 "[ . 1 . 2]" 1
880 1 55 SER HA 1 62 GLN H . . 5.060 4.971 4.823 5.044 . 0 0 "[ . 1 . 2]" 1
881 1 55 SER QB 1 56 ILE H . . 3.310 2.366 2.184 2.562 . 0 0 "[ . 1 . 2]" 1
882 1 55 SER QB 1 56 ILE QG . . 4.430 4.530 4.371 4.707 0.277 1 0 "[ . 1 . 2]" 1
883 1 55 SER QB 1 58 GLY H . . 4.850 3.255 3.062 3.541 . 0 0 "[ . 1 . 2]" 1
884 1 55 SER QB 1 59 ILE H . . 4.230 3.048 2.804 3.310 . 0 0 "[ . 1 . 2]" 1
885 1 55 SER QB 1 60 SER HA . . 3.600 2.814 2.468 3.144 . 0 0 "[ . 1 . 2]" 1
886 1 55 SER QB 1 61 ALA H . . 4.540 3.550 3.344 3.667 . 0 0 "[ . 1 . 2]" 1
887 1 55 SER QB 1 83 THR H . . 5.370 3.607 2.977 3.943 . 0 0 "[ . 1 . 2]" 1
888 1 55 SER QB 1 83 THR HB . . 4.220 3.611 3.024 3.905 . 0 0 "[ . 1 . 2]" 1
889 1 56 ILE H 1 56 ILE HB . . 3.650 2.687 2.573 2.758 . 0 0 "[ . 1 . 2]" 1
890 1 56 ILE H 1 56 ILE MD . . 4.390 4.317 4.164 4.429 0.039 9 0 "[ . 1 . 2]" 1
891 1 56 ILE H 1 56 ILE QG . . 3.390 3.344 3.176 3.513 0.123 9 0 "[ . 1 . 2]" 1
892 1 56 ILE H 1 56 ILE MG . . 4.480 3.731 3.631 3.822 . 0 0 "[ . 1 . 2]" 1
893 1 56 ILE H 1 57 ASP H . . 5.210 3.877 3.515 4.303 . 0 0 "[ . 1 . 2]" 1
894 1 56 ILE H 1 58 GLY H . . 4.880 3.762 3.366 4.078 . 0 0 "[ . 1 . 2]" 1
895 1 56 ILE H 1 59 ILE H . . 3.670 2.493 2.241 2.749 . 0 0 "[ . 1 . 2]" 1
896 1 56 ILE H 1 59 ILE HB . . 4.100 3.025 2.806 3.379 . 0 0 "[ . 1 . 2]" 1
897 1 56 ILE H 1 59 ILE MG . . 4.740 3.928 3.478 4.281 . 0 0 "[ . 1 . 2]" 1
898 1 56 ILE H 1 60 SER HA . . 4.580 4.069 3.860 4.316 . 0 0 "[ . 1 . 2]" 1
899 1 56 ILE H 1 61 ALA MB . . 4.420 3.475 3.019 3.789 . 0 0 "[ . 1 . 2]" 1
900 1 56 ILE H 1 64 MET ME . . 3.990 3.807 3.520 4.008 0.018 4 0 "[ . 1 . 2]" 1
901 1 56 ILE HA 1 56 ILE MD . . 4.270 3.772 3.720 3.829 . 0 0 "[ . 1 . 2]" 1
902 1 56 ILE HA 1 56 ILE QG . . 3.980 2.279 2.220 2.370 . 0 0 "[ . 1 . 2]" 1
903 1 56 ILE HA 1 56 ILE MG . . 3.170 2.563 2.510 2.665 . 0 0 "[ . 1 . 2]" 1
904 1 56 ILE HA 1 57 ASP H . . 3.090 2.233 2.176 2.312 . 0 0 "[ . 1 . 2]" 1
905 1 56 ILE HA 1 82 MET HA . . 3.530 2.794 2.283 3.104 . 0 0 "[ . 1 . 2]" 1
906 1 56 ILE HA 1 82 MET HB3 . . 4.790 2.753 2.606 2.962 . 0 0 "[ . 1 . 2]" 1
907 1 56 ILE HA 1 82 MET QG . . 3.690 2.109 1.984 2.464 . 0 0 "[ . 1 . 2]" 1
908 1 56 ILE HA 1 83 THR H . . 4.600 4.000 3.613 4.389 . 0 0 "[ . 1 . 2]" 1
909 1 56 ILE HB 1 57 ASP H . . 5.000 4.569 4.386 4.668 . 0 0 "[ . 1 . 2]" 1
910 1 56 ILE HB 1 59 ILE HB . . 3.610 3.422 2.831 3.755 0.145 16 0 "[ . 1 . 2]" 1
911 1 56 ILE MD 1 64 MET ME . . 3.190 2.636 2.210 3.212 0.022 13 0 "[ . 1 . 2]" 1
912 1 56 ILE MD 1 69 ALA H . . 4.560 4.245 3.980 4.491 . 0 0 "[ . 1 . 2]" 1
913 1 56 ILE MD 1 69 ALA HA . . 3.510 2.440 2.168 2.675 . 0 0 "[ . 1 . 2]" 1
914 1 56 ILE MD 1 69 ALA MB . . 2.750 1.912 1.739 2.153 . 0 0 "[ . 1 . 2]" 1
915 1 56 ILE MD 1 73 ILE H . . 4.400 4.083 3.713 4.424 0.024 2 0 "[ . 1 . 2]" 1
916 1 56 ILE MD 1 73 ILE HG13 . . 3.500 3.229 2.448 3.532 0.032 3 0 "[ . 1 . 2]" 1
917 1 56 ILE QG 1 61 ALA H . . 5.350 4.852 4.347 5.394 0.044 15 0 "[ . 1 . 2]" 1
918 1 56 ILE QG 1 64 MET ME . . 3.020 3.896 3.693 4.252 1.232 15 20 [**************+****-] 1
919 1 56 ILE QG 1 82 MET QG . . 4.230 2.880 2.121 3.113 . 0 0 "[ . 1 . 2]" 1
920 1 56 ILE MG 1 57 ASP H . . 3.660 3.148 2.504 3.494 . 0 0 "[ . 1 . 2]" 1
921 1 56 ILE MG 1 57 ASP HA . . 4.580 4.167 3.765 4.416 . 0 0 "[ . 1 . 2]" 1
922 1 56 ILE MG 1 57 ASP HB2 . . 3.620 2.646 2.420 2.785 . 0 0 "[ . 1 . 2]" 1
923 1 56 ILE MG 1 57 ASP HB3 . . 3.990 3.385 2.801 3.653 . 0 0 "[ . 1 . 2]" 1
924 1 56 ILE MG 1 58 GLY H . . 5.460 4.895 4.264 5.359 . 0 0 "[ . 1 . 2]" 1
925 1 56 ILE MG 1 72 LYS QB . . 3.300 1.767 1.669 1.881 . 0 0 "[ . 1 . 2]" 1
926 1 56 ILE MG 1 72 LYS QE . . 4.190 3.697 2.524 4.237 0.047 5 0 "[ . 1 . 2]" 1
927 1 56 ILE MG 1 72 LYS HG3 . . 3.920 2.800 2.670 3.047 . 0 0 "[ . 1 . 2]" 1
928 1 56 ILE MG 1 73 ILE H . . 4.530 3.121 2.908 3.453 . 0 0 "[ . 1 . 2]" 1
929 1 56 ILE MG 1 73 ILE HA . . 4.090 3.653 3.361 3.898 . 0 0 "[ . 1 . 2]" 1
930 1 56 ILE MG 1 73 ILE MD . . 3.040 2.957 2.354 3.080 0.040 19 0 "[ . 1 . 2]" 1
931 1 56 ILE MG 1 73 ILE HG12 . . 3.810 3.685 3.327 3.867 0.057 20 0 "[ . 1 . 2]" 1
932 1 56 ILE MG 1 73 ILE HG13 . . 3.650 2.414 2.119 2.578 . 0 0 "[ . 1 . 2]" 1
933 1 56 ILE MG 1 82 MET HA . . 4.060 4.697 4.285 5.087 1.027 9 14 "[** **** +* * .-****]" 1
934 1 56 ILE MG 1 82 MET QG . . 3.250 2.846 2.445 3.234 . 0 0 "[ . 1 . 2]" 1
935 1 57 ASP H 1 57 ASP HB2 . . 3.990 3.158 3.011 3.238 . 0 0 "[ . 1 . 2]" 1
936 1 57 ASP H 1 58 GLY H . . 4.190 2.603 2.470 2.716 . 0 0 "[ . 1 . 2]" 1
937 1 57 ASP H 1 59 ILE H . . 5.100 3.748 3.527 4.050 . 0 0 "[ . 1 . 2]" 1
938 1 57 ASP H 1 80 LEU MD1 . . 4.670 4.492 3.604 4.721 0.051 9 0 "[ . 1 . 2]" 1
939 1 57 ASP H 1 81 ASN H . . 4.750 3.815 3.405 4.497 . 0 0 "[ . 1 . 2]" 1
940 1 57 ASP H 1 81 ASN QB . . 4.550 3.647 3.316 3.783 . 0 0 "[ . 1 . 2]" 1
941 1 57 ASP H 1 82 MET HA . . 4.190 2.632 2.376 3.061 . 0 0 "[ . 1 . 2]" 1
942 1 57 ASP H 1 82 MET QG . . 4.600 2.360 1.932 2.931 . 0 0 "[ . 1 . 2]" 1
943 1 57 ASP H 1 83 THR H . . 5.500 4.684 4.152 5.160 . 0 0 "[ . 1 . 2]" 1
944 1 57 ASP HA 1 58 GLY H . . 3.550 2.863 2.677 3.106 . 0 0 "[ . 1 . 2]" 1
945 1 57 ASP HA 1 81 ASN H . . 4.360 3.218 2.787 4.225 . 0 0 "[ . 1 . 2]" 1
946 1 57 ASP HA 1 81 ASN QB . . 3.500 2.705 2.309 2.815 . 0 0 "[ . 1 . 2]" 1
947 1 57 ASP HB2 1 58 GLY H . . 5.100 4.599 4.402 4.683 . 0 0 "[ . 1 . 2]" 1
948 1 57 ASP HB2 1 80 LEU MD1 . . 4.520 3.605 3.088 4.223 . 0 0 "[ . 1 . 2]" 1
949 1 57 ASP HB3 1 58 GLY H . . 5.290 4.209 3.946 4.347 . 0 0 "[ . 1 . 2]" 1
950 1 57 ASP HB3 1 59 ILE H . . 4.880 3.511 3.261 3.805 . 0 0 "[ . 1 . 2]" 1
951 1 57 ASP HB3 1 59 ILE MD . . 4.720 4.260 3.804 4.659 . 0 0 "[ . 1 . 2]" 1
952 1 57 ASP HB3 1 59 ILE QG . . 4.190 2.679 2.401 2.962 . 0 0 "[ . 1 . 2]" 1
953 1 58 GLY H 1 59 ILE H . . 3.610 2.561 2.325 2.683 . 0 0 "[ . 1 . 2]" 1
954 1 58 GLY H 1 59 ILE QG . . 5.070 4.329 3.930 4.695 . 0 0 "[ . 1 . 2]" 1
955 1 58 GLY H 1 82 MET HA . . 5.340 3.630 3.257 4.248 . 0 0 "[ . 1 . 2]" 1
956 1 59 ILE H 1 59 ILE HB . . 3.190 2.493 2.354 2.616 . 0 0 "[ . 1 . 2]" 1
957 1 59 ILE H 1 59 ILE MD . . 4.310 3.928 3.432 4.280 . 0 0 "[ . 1 . 2]" 1
958 1 59 ILE H 1 59 ILE QG . . 3.260 2.517 2.022 2.897 . 0 0 "[ . 1 . 2]" 1
959 1 59 ILE H 1 59 ILE MG . . 4.090 3.767 3.687 3.839 . 0 0 "[ . 1 . 2]" 1
960 1 59 ILE H 1 60 SER H . . 4.840 4.518 4.458 4.589 . 0 0 "[ . 1 . 2]" 1
961 1 59 ILE H 1 72 LYS QE . . 5.210 4.710 3.956 5.127 . 0 0 "[ . 1 . 2]" 1
962 1 59 ILE HA 1 59 ILE MD . . 3.330 2.393 2.002 3.410 0.080 16 0 "[ . 1 . 2]" 1
963 1 59 ILE HA 1 59 ILE QG . . 3.520 2.692 2.353 2.962 . 0 0 "[ . 1 . 2]" 1
964 1 59 ILE HA 1 59 ILE MG . . 3.230 2.361 2.181 2.487 . 0 0 "[ . 1 . 2]" 1
965 1 59 ILE HA 1 60 SER H . . 2.870 2.260 2.183 2.374 . 0 0 "[ . 1 . 2]" 1
966 1 59 ILE HA 1 60 SER HB2 . . 4.450 4.326 4.155 4.876 0.426 4 0 "[ . 1 . 2]" 1
967 1 59 ILE HB 1 59 ILE MD . . 3.430 3.125 2.725 3.199 . 0 0 "[ . 1 . 2]" 1
968 1 59 ILE HB 1 60 SER H . . 4.270 4.085 3.764 4.254 . 0 0 "[ . 1 . 2]" 1
969 1 59 ILE HB 1 72 LYS QE . . 4.280 2.927 2.328 3.217 . 0 0 "[ . 1 . 2]" 1
970 1 59 ILE MD 1 59 ILE MG . . 3.010 1.866 1.750 1.997 . 0 0 "[ . 1 . 2]" 1
971 1 59 ILE MD 1 60 SER H . . 4.520 3.669 3.273 4.290 . 0 0 "[ . 1 . 2]" 1
972 1 59 ILE MD 1 72 LYS HD2 . . 4.550 4.081 3.793 4.585 0.035 11 0 "[ . 1 . 2]" 1
973 1 59 ILE MD 1 72 LYS HD3 . . 4.250 4.207 3.142 4.614 0.364 15 0 "[ . 1 . 2]" 1
974 1 59 ILE MD 1 72 LYS QE . . 3.870 2.541 1.982 3.899 0.029 19 0 "[ . 1 . 2]" 1
975 1 59 ILE QG 1 59 ILE MG . . 3.050 2.508 2.401 2.621 . 0 0 "[ . 1 . 2]" 1
976 1 59 ILE QG 1 60 SER H . . 4.790 4.526 4.210 4.776 . 0 0 "[ . 1 . 2]" 1
977 1 59 ILE QG 1 72 LYS QE . . 3.210 2.021 1.781 2.777 . 0 0 "[ . 1 . 2]" 1
978 1 59 ILE MG 1 60 SER H . . 3.560 2.335 1.973 2.834 . 0 0 "[ . 1 . 2]" 1
979 1 59 ILE MG 1 60 SER HB2 . . 4.450 4.003 3.415 4.757 0.307 15 0 "[ . 1 . 2]" 1
980 1 59 ILE MG 1 60 SER HB3 . . 4.690 4.177 3.232 4.693 0.003 13 0 "[ . 1 . 2]" 1
981 1 59 ILE MG 1 72 LYS QE . . 4.190 2.437 1.959 3.407 . 0 0 "[ . 1 . 2]" 1
982 1 60 SER H 1 60 SER HB2 . . 3.270 2.227 2.024 2.899 . 0 0 "[ . 1 . 2]" 1
983 1 60 SER H 1 60 SER HB3 . . 3.230 2.977 2.141 3.250 0.020 12 0 "[ . 1 . 2]" 1
984 1 60 SER HA 1 61 ALA H . . 2.870 2.221 2.215 2.234 . 0 0 "[ . 1 . 2]" 1
985 1 60 SER HA 1 61 ALA MB . . 4.140 3.933 3.884 3.994 . 0 0 "[ . 1 . 2]" 1
986 1 60 SER HA 1 62 GLN H . . 4.300 3.742 3.555 4.035 . 0 0 "[ . 1 . 2]" 1
987 1 60 SER HB2 1 61 ALA H . . 4.620 4.490 4.086 4.629 0.009 12 0 "[ . 1 . 2]" 1
988 1 60 SER HB2 1 62 GLN H . . 4.460 4.224 4.110 4.493 0.033 15 0 "[ . 1 . 2]" 1
989 1 60 SER HB3 1 61 ALA H . . 4.190 3.932 3.625 4.497 0.307 4 0 "[ . 1 . 2]" 1
990 1 60 SER HB3 1 62 GLN H . . 4.750 2.883 2.479 4.100 . 0 0 "[ . 1 . 2]" 1
991 1 61 ALA H 1 61 ALA MB . . 3.090 2.220 2.112 2.314 . 0 0 "[ . 1 . 2]" 1
992 1 61 ALA H 1 62 GLN H . . 3.300 2.907 2.677 3.256 . 0 0 "[ . 1 . 2]" 1
993 1 61 ALA H 1 62 GLN QB . . 4.920 4.376 3.929 4.813 . 0 0 "[ . 1 . 2]" 1
994 1 61 ALA HA 1 64 MET ME . . 3.100 2.109 1.938 2.408 . 0 0 "[ . 1 . 2]" 1
995 1 61 ALA HA 1 64 MET HG3 . . 3.460 2.698 2.084 3.108 . 0 0 "[ . 1 . 2]" 1
996 1 61 ALA MB 1 62 GLN H . . 3.960 3.700 3.625 3.769 . 0 0 "[ . 1 . 2]" 1
997 1 61 ALA MB 1 62 GLN HA . . 4.720 4.144 4.082 4.233 . 0 0 "[ . 1 . 2]" 1
998 1 61 ALA MB 1 64 MET HB3 . . 4.670 4.355 3.979 4.641 . 0 0 "[ . 1 . 2]" 1
999 1 61 ALA MB 1 64 MET ME . . 3.770 2.689 2.376 2.938 . 0 0 "[ . 1 . 2]" 1
1000 1 61 ALA MB 1 64 MET HG3 . . 4.550 4.225 3.600 4.586 0.036 19 0 "[ . 1 . 2]" 1
1001 1 62 GLN H 1 62 GLN QB . . 3.020 2.195 2.033 2.401 . 0 0 "[ . 1 . 2]" 1
1002 1 62 GLN H 1 62 GLN QG . . 3.950 3.184 2.461 3.687 . 0 0 "[ . 1 . 2]" 1
1003 1 62 GLN H 1 63 GLY H . . 4.530 3.184 2.361 4.267 . 0 0 "[ . 1 . 2]" 1
1004 1 62 GLN H 1 64 MET H . . 5.030 4.292 3.656 4.983 . 0 0 "[ . 1 . 2]" 1
1005 1 62 GLN HA 1 62 GLN QG . . 3.650 2.185 1.973 2.460 . 0 0 "[ . 1 . 2]" 1
1006 1 62 GLN HA 1 63 GLY H . . 3.620 2.993 2.233 3.646 0.026 11 0 "[ . 1 . 2]" 1
1007 1 62 GLN HA 1 64 MET H . . 4.420 4.302 4.072 4.457 0.037 15 0 "[ . 1 . 2]" 1
1008 1 62 GLN QB 1 63 GLY H . . 4.270 3.284 2.276 4.007 . 0 0 "[ . 1 . 2]" 1
1009 1 62 GLN QB 1 63 GLY QA . . 4.880 3.809 3.408 4.084 . 0 0 "[ . 1 . 2]" 1
1010 1 62 GLN QG 1 63 GLY H . . 5.330 4.391 3.996 4.753 . 0 0 "[ . 1 . 2]" 1
1011 1 63 GLY H 1 64 MET H . . 3.500 2.774 1.902 3.327 . 0 0 "[ . 1 . 2]" 1
1012 1 64 MET H 1 64 MET HB2 . . 3.240 2.473 2.295 2.652 . 0 0 "[ . 1 . 2]" 1
1013 1 64 MET H 1 64 MET HB3 . . 3.770 3.621 3.517 3.767 . 0 0 "[ . 1 . 2]" 1
1014 1 64 MET H 1 64 MET ME . . 4.690 4.340 3.795 4.649 . 0 0 "[ . 1 . 2]" 1
1015 1 64 MET H 1 64 MET HG2 . . 4.070 3.516 2.799 3.858 . 0 0 "[ . 1 . 2]" 1
1016 1 64 MET H 1 64 MET HG3 . . 3.580 3.164 2.284 3.542 . 0 0 "[ . 1 . 2]" 1
1017 1 64 MET H 1 65 THR H . . 4.780 4.458 4.347 4.631 . 0 0 "[ . 1 . 2]" 1
1018 1 64 MET HA 1 64 MET HG2 . . 3.460 2.221 2.136 2.346 . 0 0 "[ . 1 . 2]" 1
1019 1 64 MET HA 1 65 THR H . . 3.120 2.251 2.209 2.315 . 0 0 "[ . 1 . 2]" 1
1020 1 64 MET HA 1 68 GLU HB2 . . 4.260 3.399 2.869 3.787 . 0 0 "[ . 1 . 2]" 1
1021 1 64 MET HA 1 68 GLU HB3 . . 4.420 3.788 3.169 4.334 . 0 0 "[ . 1 . 2]" 1
1022 1 64 MET HB2 1 65 THR H . . 4.630 4.295 4.114 4.446 . 0 0 "[ . 1 . 2]" 1
1023 1 64 MET HB2 1 69 ALA H . . 4.560 4.426 4.113 4.519 . 0 0 "[ . 1 . 2]" 1
1024 1 64 MET HB2 1 69 ALA MB . . 3.820 3.764 3.525 3.899 0.079 15 0 "[ . 1 . 2]" 1
1025 1 64 MET HB3 1 65 THR H . . 4.010 3.241 2.983 3.482 . 0 0 "[ . 1 . 2]" 1
1026 1 64 MET HB3 1 69 ALA MB . . 4.260 3.432 3.057 3.887 . 0 0 "[ . 1 . 2]" 1
1027 1 64 MET ME 1 64 MET HG2 . . 3.550 3.365 3.335 3.388 . 0 0 "[ . 1 . 2]" 1
1028 1 64 MET ME 1 64 MET HG3 . . 3.060 2.369 2.232 2.509 . 0 0 "[ . 1 . 2]" 1
1029 1 64 MET ME 1 69 ALA H . . 4.300 3.877 3.275 4.302 0.002 4 0 "[ . 1 . 2]" 1
1030 1 64 MET ME 1 69 ALA HA . . 3.270 2.617 2.211 2.993 . 0 0 "[ . 1 . 2]" 1
1031 1 64 MET ME 1 69 ALA MB . . 3.850 2.941 2.597 3.332 . 0 0 "[ . 1 . 2]" 1
1032 1 64 MET ME 1 72 LYS QE . . 3.780 3.514 2.995 3.810 0.030 3 0 "[ . 1 . 2]" 1
1033 1 64 MET ME 1 72 LYS HG3 . . 3.590 2.524 2.069 2.807 . 0 0 "[ . 1 . 2]" 1
1034 1 64 MET HG2 1 65 THR H . . 4.600 4.133 3.992 4.307 . 0 0 "[ . 1 . 2]" 1
1035 1 64 MET HG2 1 68 GLU HB3 . . 4.100 3.639 2.862 4.125 0.025 2 0 "[ . 1 . 2]" 1
1036 1 64 MET HG3 1 65 THR H . . 5.250 5.274 5.216 5.308 0.058 19 0 "[ . 1 . 2]" 1
1037 1 65 THR H 1 65 THR HG1 . . 5.370 2.549 1.946 3.242 . 0 0 "[ . 1 . 2]" 1
1038 1 65 THR H 1 65 THR MG . . 3.160 2.348 1.943 2.613 . 0 0 "[ . 1 . 2]" 1
1039 1 65 THR H 1 66 HIS H . . 5.500 4.610 4.579 4.642 . 0 0 "[ . 1 . 2]" 1
1040 1 65 THR H 1 68 GLU H . . 4.460 3.621 3.281 3.842 . 0 0 "[ . 1 . 2]" 1
1041 1 65 THR H 1 68 GLU HA . . 5.380 5.010 4.710 5.291 . 0 0 "[ . 1 . 2]" 1
1042 1 65 THR H 1 68 GLU HB2 . . 3.300 2.271 2.010 2.512 . 0 0 "[ . 1 . 2]" 1
1043 1 65 THR H 1 68 GLU HB3 . . 3.860 3.558 3.315 3.796 . 0 0 "[ . 1 . 2]" 1
1044 1 65 THR H 1 68 GLU HG2 . . 4.180 3.790 3.154 4.149 . 0 0 "[ . 1 . 2]" 1
1045 1 65 THR H 1 68 GLU HG3 . . 4.180 2.345 1.988 2.681 . 0 0 "[ . 1 . 2]" 1
1046 1 65 THR H 1 69 ALA H . . 4.370 4.188 3.839 4.347 . 0 0 "[ . 1 . 2]" 1
1047 1 65 THR HA 1 65 THR MG . . 3.210 2.393 2.216 2.585 . 0 0 "[ . 1 . 2]" 1
1048 1 65 THR HA 1 66 HIS H . . 3.440 2.465 2.360 2.525 . 0 0 "[ . 1 . 2]" 1
1049 1 65 THR HA 1 67 LEU H . . 5.210 4.664 4.468 4.870 . 0 0 "[ . 1 . 2]" 1
1050 1 65 THR HB 1 66 HIS H . . 3.370 2.555 2.401 2.778 . 0 0 "[ . 1 . 2]" 1
1051 1 65 THR HB 1 67 LEU H . . 3.930 3.275 2.930 3.871 . 0 0 "[ . 1 . 2]" 1
1052 1 65 THR HG1 1 68 GLU H . . 4.770 2.280 1.927 2.928 . 0 0 "[ . 1 . 2]" 1
1053 1 65 THR MG 1 66 HIS H . . 4.140 3.800 3.505 4.055 . 0 0 "[ . 1 . 2]" 1
1054 1 65 THR MG 1 67 LEU H . . 5.220 4.702 4.481 4.891 . 0 0 "[ . 1 . 2]" 1
1055 1 65 THR MG 1 68 GLU H . . 5.060 4.266 3.908 4.550 . 0 0 "[ . 1 . 2]" 1
1056 1 65 THR MG 1 68 GLU HB2 . . 4.570 4.059 3.750 4.347 . 0 0 "[ . 1 . 2]" 1
1057 1 65 THR MG 1 68 GLU HB3 . . 5.500 5.182 4.778 5.513 0.013 2 0 "[ . 1 . 2]" 1
1058 1 65 THR MG 1 68 GLU HG2 . . 5.040 4.341 3.330 5.061 0.021 6 0 "[ . 1 . 2]" 1
1059 1 65 THR MG 1 68 GLU HG3 . . 4.060 3.229 2.683 3.905 . 0 0 "[ . 1 . 2]" 1
1060 1 66 HIS H 1 66 HIS HB2 . . 3.520 2.144 2.084 2.254 . 0 0 "[ . 1 . 2]" 1
1061 1 66 HIS H 1 66 HIS HB3 . . 3.540 2.832 2.671 2.954 . 0 0 "[ . 1 . 2]" 1
1062 1 66 HIS H 1 67 LEU H . . 3.920 2.953 2.864 3.132 . 0 0 "[ . 1 . 2]" 1
1063 1 66 HIS H 1 67 LEU QB . . 5.170 4.519 4.406 4.656 . 0 0 "[ . 1 . 2]" 1
1064 1 66 HIS H 1 68 GLU H . . 5.370 4.386 4.158 4.662 . 0 0 "[ . 1 . 2]" 1
1065 1 66 HIS HA 1 66 HIS HD2 . . 4.030 2.281 2.179 2.443 . 0 0 "[ . 1 . 2]" 1
1066 1 66 HIS HA 1 69 ALA H . . 4.130 3.709 3.566 3.871 . 0 0 "[ . 1 . 2]" 1
1067 1 66 HIS HA 1 69 ALA MB . . 3.580 2.791 2.638 2.995 . 0 0 "[ . 1 . 2]" 1
1068 1 66 HIS HB2 1 67 LEU H . . 4.090 3.576 3.465 3.706 . 0 0 "[ . 1 . 2]" 1
1069 1 66 HIS HB3 1 67 LEU H . . 3.570 2.434 2.289 2.652 . 0 0 "[ . 1 . 2]" 1
1070 1 66 HIS HB3 1 67 LEU QB . . 4.770 3.915 3.836 4.015 . 0 0 "[ . 1 . 2]" 1
1071 1 66 HIS HD2 1 70 GLN HG2 . . 4.630 3.881 3.439 4.386 . 0 0 "[ . 1 . 2]" 1
1072 1 66 HIS HD2 1 70 GLN HG3 . . 4.420 4.336 4.100 4.448 0.028 9 0 "[ . 1 . 2]" 1
1073 1 66 HIS HE1 1 70 GLN HE21 . . 4.780 3.240 2.626 4.046 . 0 0 "[ . 1 . 2]" 1
1074 1 66 HIS HE1 1 70 GLN HE22 . . 5.420 3.635 2.855 4.504 . 0 0 "[ . 1 . 2]" 1
1075 1 66 HIS HE1 1 70 GLN HG2 . . 5.500 5.087 4.894 5.151 . 0 0 "[ . 1 . 2]" 1
1076 1 66 HIS HE1 1 70 GLN HG3 . . 4.880 4.534 4.359 4.715 . 0 0 "[ . 1 . 2]" 1
1077 1 67 LEU H 1 67 LEU QB . . 2.960 2.055 1.971 2.133 . 0 0 "[ . 1 . 2]" 1
1078 1 67 LEU H 1 67 LEU QD . . 4.400 3.375 2.992 3.695 . 0 0 "[ . 1 . 2]" 1
1079 1 67 LEU H 1 67 LEU HG . . 4.240 4.374 4.262 4.531 0.291 19 0 "[ . 1 . 2]" 1
1080 1 67 LEU H 1 68 GLU H . . 3.680 2.895 2.772 3.040 . 0 0 "[ . 1 . 2]" 1
1081 1 67 LEU HA 1 67 LEU QD . . 2.910 2.242 2.000 2.492 . 0 0 "[ . 1 . 2]" 1
1082 1 67 LEU HA 1 67 LEU HG . . 4.130 3.700 3.351 3.996 . 0 0 "[ . 1 . 2]" 1
1083 1 67 LEU HA 1 70 GLN H . . 3.720 3.483 3.288 3.690 . 0 0 "[ . 1 . 2]" 1
1084 1 67 LEU HA 1 70 GLN HB2 . . 3.350 2.358 2.193 2.558 . 0 0 "[ . 1 . 2]" 1
1085 1 67 LEU HA 1 70 GLN HE21 . . 5.500 4.703 3.560 5.432 . 0 0 "[ . 1 . 2]" 1
1086 1 67 LEU HA 1 70 GLN HG2 . . 4.270 4.132 3.842 4.308 0.038 11 0 "[ . 1 . 2]" 1
1087 1 67 LEU HA 1 70 GLN HG3 . . 4.160 2.960 2.561 3.357 . 0 0 "[ . 1 . 2]" 1
1088 1 67 LEU HA 1 71 ASN H . . 4.480 3.910 3.679 4.144 . 0 0 "[ . 1 . 2]" 1
1089 1 67 LEU QB 1 67 LEU QD . . 2.880 1.975 1.947 1.987 . 0 0 "[ . 1 . 2]" 1
1090 1 67 LEU QB 1 68 GLU H . . 3.560 2.741 2.474 3.001 . 0 0 "[ . 1 . 2]" 1
1091 1 67 LEU QB 1 68 GLU HA . . 4.760 4.481 4.328 4.621 . 0 0 "[ . 1 . 2]" 1
1092 1 67 LEU QD 1 68 GLU H . . 4.970 2.642 1.836 3.712 . 0 0 "[ . 1 . 2]" 1
1093 1 67 LEU QD 1 68 GLU HG2 . . 4.710 2.775 1.883 4.038 . 0 0 "[ . 1 . 2]" 1
1094 1 67 LEU QD 1 70 GLN H . . 4.730 4.190 3.820 4.608 . 0 0 "[ . 1 . 2]" 1
1095 1 67 LEU QD 1 70 GLN HB2 . . 3.780 3.087 2.956 3.207 . 0 0 "[ . 1 . 2]" 1
1096 1 67 LEU QD 1 70 GLN HB3 . . 4.420 4.147 3.934 4.367 . 0 0 "[ . 1 . 2]" 1
1097 1 67 LEU QD 1 70 GLN HG3 . . 4.490 4.387 4.328 4.446 . 0 0 "[ . 1 . 2]" 1
1098 1 67 LEU QD 1 71 ASN H . . 4.040 3.149 2.679 3.745 . 0 0 "[ . 1 . 2]" 1
1099 1 67 LEU QD 1 71 ASN HB2 . . 4.740 2.960 2.282 3.713 . 0 0 "[ . 1 . 2]" 1
1100 1 67 LEU QD 1 71 ASN HD21 . . 4.110 2.091 1.823 2.706 . 0 0 "[ . 1 . 2]" 1
1101 1 67 LEU QD 1 71 ASN HD22 . . 3.740 2.270 2.116 2.637 . 0 0 "[ . 1 . 2]" 1
1102 1 67 LEU HG 1 68 GLU HA . . 4.680 4.116 3.193 4.851 0.171 19 0 "[ . 1 . 2]" 1
1103 1 67 LEU HG 1 71 ASN HD21 . . 4.350 3.502 2.271 4.308 . 0 0 "[ . 1 . 2]" 1
1104 1 67 LEU HG 1 71 ASN HD22 . . 4.120 3.912 3.178 4.187 0.067 14 0 "[ . 1 . 2]" 1
1105 1 68 GLU H 1 68 GLU HB2 . . 3.180 2.356 2.255 2.443 . 0 0 "[ . 1 . 2]" 1
1106 1 68 GLU H 1 68 GLU HB3 . . 3.840 3.533 3.504 3.558 . 0 0 "[ . 1 . 2]" 1
1107 1 68 GLU H 1 68 GLU HG2 . . 3.760 2.625 2.287 2.975 . 0 0 "[ . 1 . 2]" 1
1108 1 68 GLU H 1 68 GLU HG3 . . 3.680 3.037 2.719 3.572 . 0 0 "[ . 1 . 2]" 1
1109 1 68 GLU H 1 69 ALA H . . 3.490 3.059 2.928 3.174 . 0 0 "[ . 1 . 2]" 1
1110 1 68 GLU H 1 69 ALA MB . . 4.520 4.464 4.364 4.508 . 0 0 "[ . 1 . 2]" 1
1111 1 68 GLU HA 1 68 GLU HG2 . . 3.700 2.313 2.106 2.698 . 0 0 "[ . 1 . 2]" 1
1112 1 68 GLU HA 1 68 GLU HG3 . . 3.620 3.532 3.376 3.671 0.051 9 0 "[ . 1 . 2]" 1
1113 1 68 GLU HA 1 71 ASN H . . 3.890 3.334 3.131 3.553 . 0 0 "[ . 1 . 2]" 1
1114 1 68 GLU HA 1 71 ASN HB2 . . 3.440 2.384 2.189 2.559 . 0 0 "[ . 1 . 2]" 1
1115 1 68 GLU HA 1 71 ASN HB3 . . 4.000 3.770 3.549 3.985 . 0 0 "[ . 1 . 2]" 1
1116 1 68 GLU HA 1 71 ASN HD21 . . 4.220 2.749 2.526 2.994 . 0 0 "[ . 1 . 2]" 1
1117 1 68 GLU HA 1 71 ASN HD22 . . 4.580 4.416 4.217 4.589 0.009 19 0 "[ . 1 . 2]" 1
1118 1 68 GLU HB2 1 69 ALA H . . 3.690 2.385 2.238 2.500 . 0 0 "[ . 1 . 2]" 1
1119 1 68 GLU HB3 1 69 ALA H . . 4.040 3.091 2.793 3.331 . 0 0 "[ . 1 . 2]" 1
1120 1 68 GLU HG2 1 69 ALA H . . 4.730 4.634 4.519 4.765 0.035 14 0 "[ . 1 . 2]" 1
1121 1 68 GLU HG3 1 69 ALA H . . 4.530 4.593 4.456 4.765 0.235 12 0 "[ . 1 . 2]" 1
1122 1 69 ALA H 1 69 ALA MB . . 2.910 2.008 1.935 2.083 . 0 0 "[ . 1 . 2]" 1
1123 1 69 ALA HA 1 71 ASN H . . 4.870 4.382 4.222 4.516 . 0 0 "[ . 1 . 2]" 1
1124 1 69 ALA HA 1 72 LYS H . . 4.060 3.491 3.393 3.578 . 0 0 "[ . 1 . 2]" 1
1125 1 69 ALA HA 1 72 LYS QB . . 3.650 2.870 2.646 3.038 . 0 0 "[ . 1 . 2]" 1
1126 1 69 ALA MB 1 70 GLN H . . 3.410 2.637 2.535 2.780 . 0 0 "[ . 1 . 2]" 1
1127 1 69 ALA MB 1 70 GLN HA . . 4.300 3.723 3.630 3.808 . 0 0 "[ . 1 . 2]" 1
1128 1 69 ALA MB 1 70 GLN HG2 . . 3.700 3.339 3.157 3.444 . 0 0 "[ . 1 . 2]" 1
1129 1 69 ALA MB 1 70 GLN HG3 . . 5.000 4.410 4.061 4.753 . 0 0 "[ . 1 . 2]" 1
1130 1 69 ALA MB 1 71 ASN H . . 4.490 4.512 4.399 4.545 0.055 9 0 "[ . 1 . 2]" 1
1131 1 69 ALA MB 1 73 ILE MD . . 3.780 2.739 2.329 3.202 . 0 0 "[ . 1 . 2]" 1
1132 1 70 GLN H 1 70 GLN HB2 . . 3.180 2.428 2.313 2.549 . 0 0 "[ . 1 . 2]" 1
1133 1 70 GLN H 1 70 GLN HB3 . . 3.470 3.542 3.522 3.556 0.086 6 0 "[ . 1 . 2]" 1
1134 1 70 GLN H 1 70 GLN HG2 . . 3.600 2.366 2.086 2.581 . 0 0 "[ . 1 . 2]" 1
1135 1 70 GLN H 1 70 GLN HG3 . . 3.710 3.035 2.696 3.367 . 0 0 "[ . 1 . 2]" 1
1136 1 70 GLN H 1 71 ASN H . . 3.450 2.720 2.561 2.852 . 0 0 "[ . 1 . 2]" 1
1137 1 70 GLN H 1 71 ASN HB2 . . 5.210 4.474 4.321 4.590 . 0 0 "[ . 1 . 2]" 1
1138 1 70 GLN HA 1 70 GLN HG2 . . 3.210 2.484 2.366 2.630 . 0 0 "[ . 1 . 2]" 1
1139 1 70 GLN HA 1 70 GLN HG3 . . 4.150 3.672 3.603 3.741 . 0 0 "[ . 1 . 2]" 1
1140 1 70 GLN HA 1 72 LYS H . . 4.600 4.500 4.401 4.567 . 0 0 "[ . 1 . 2]" 1
1141 1 70 GLN HA 1 73 ILE H . . 4.100 3.441 3.234 3.632 . 0 0 "[ . 1 . 2]" 1
1142 1 70 GLN HA 1 73 ILE HB . . 3.350 2.608 2.428 2.935 . 0 0 "[ . 1 . 2]" 1
1143 1 70 GLN HA 1 73 ILE MD . . 3.480 2.031 1.912 2.361 . 0 0 "[ . 1 . 2]" 1
1144 1 70 GLN HA 1 73 ILE HG12 . . 4.780 4.702 4.504 4.836 0.056 9 0 "[ . 1 . 2]" 1
1145 1 70 GLN HA 1 73 ILE MG . . 4.580 3.908 3.714 4.205 . 0 0 "[ . 1 . 2]" 1
1146 1 70 GLN HA 1 74 LYS H . . 4.920 4.184 3.823 4.656 . 0 0 "[ . 1 . 2]" 1
1147 1 70 GLN HB2 1 70 GLN HG3 . . 2.940 2.289 2.264 2.342 . 0 0 "[ . 1 . 2]" 1
1148 1 70 GLN HB2 1 71 ASN H . . 3.670 2.724 2.559 2.884 . 0 0 "[ . 1 . 2]" 1
1149 1 70 GLN HB3 1 71 ASN H . . 3.850 3.692 3.494 3.841 . 0 0 "[ . 1 . 2]" 1
1150 1 70 GLN HG2 1 71 ASN H . . 4.600 4.541 4.387 4.629 0.029 17 0 "[ . 1 . 2]" 1
1151 1 70 GLN HG3 1 71 ASN H . . 4.950 4.740 4.510 4.944 . 0 0 "[ . 1 . 2]" 1
1152 1 71 ASN H 1 71 ASN HB2 . . 3.320 2.040 2.020 2.065 . 0 0 "[ . 1 . 2]" 1
1153 1 71 ASN H 1 71 ASN HB3 . . 3.650 3.296 3.217 3.354 . 0 0 "[ . 1 . 2]" 1
1154 1 71 ASN H 1 71 ASN HD21 . . 4.880 3.678 3.167 3.955 . 0 0 "[ . 1 . 2]" 1
1155 1 71 ASN H 1 71 ASN HD22 . . 5.230 4.818 4.575 4.938 . 0 0 "[ . 1 . 2]" 1
1156 1 71 ASN H 1 72 LYS H . . 3.510 2.816 2.695 2.944 . 0 0 "[ . 1 . 2]" 1
1157 1 71 ASN H 1 73 ILE H . . 5.440 4.404 4.199 4.611 . 0 0 "[ . 1 . 2]" 1
1158 1 71 ASN HA 1 73 ILE H . . 5.500 4.784 4.444 5.041 . 0 0 "[ . 1 . 2]" 1
1159 1 71 ASN HA 1 74 LYS H . . 4.180 3.482 3.287 3.611 . 0 0 "[ . 1 . 2]" 1
1160 1 71 ASN HA 1 74 LYS QB . . 3.270 2.539 2.311 2.801 . 0 0 "[ . 1 . 2]" 1
1161 1 71 ASN HA 1 74 LYS QD . . 4.290 3.123 2.277 3.753 . 0 0 "[ . 1 . 2]" 1
1162 1 71 ASN HA 1 75 ALA H . . 4.880 4.508 4.201 4.834 . 0 0 "[ . 1 . 2]" 1
1163 1 71 ASN HB2 1 71 ASN HD21 . . 3.630 2.161 2.104 2.238 . 0 0 "[ . 1 . 2]" 1
1164 1 71 ASN HB2 1 71 ASN HD22 . . 4.030 3.469 3.446 3.500 . 0 0 "[ . 1 . 2]" 1
1165 1 71 ASN HB2 1 72 LYS H . . 3.850 2.920 2.844 3.026 . 0 0 "[ . 1 . 2]" 1
1166 1 71 ASN HB2 1 72 LYS QB . . 5.490 4.890 4.696 5.016 . 0 0 "[ . 1 . 2]" 1
1167 1 71 ASN HB3 1 72 LYS H . . 4.030 2.751 2.565 2.895 . 0 0 "[ . 1 . 2]" 1
1168 1 71 ASN HB3 1 72 LYS QB . . 5.200 4.578 4.432 4.636 . 0 0 "[ . 1 . 2]" 1
1169 1 72 LYS H 1 72 LYS QB . . 2.980 2.255 2.138 2.388 . 0 0 "[ . 1 . 2]" 1
1170 1 72 LYS H 1 72 LYS HG2 . . 3.290 2.469 2.122 2.861 . 0 0 "[ . 1 . 2]" 1
1171 1 72 LYS H 1 72 LYS HG3 . . 4.480 3.508 3.133 3.773 . 0 0 "[ . 1 . 2]" 1
1172 1 72 LYS H 1 73 ILE H . . 3.590 2.895 2.759 3.055 . 0 0 "[ . 1 . 2]" 1
1173 1 72 LYS HA 1 72 LYS HD2 . . 3.340 2.866 1.991 3.715 0.375 15 0 "[ . 1 . 2]" 1
1174 1 72 LYS HA 1 72 LYS HD3 . . 3.670 2.608 1.994 3.625 . 0 0 "[ . 1 . 2]" 1
1175 1 72 LYS HA 1 72 LYS QE . . 4.330 3.862 2.361 4.312 . 0 0 "[ . 1 . 2]" 1
1176 1 72 LYS HA 1 72 LYS HG2 . . 3.860 2.600 2.304 2.842 . 0 0 "[ . 1 . 2]" 1
1177 1 72 LYS HA 1 72 LYS HG3 . . 3.840 3.625 3.546 3.688 . 0 0 "[ . 1 . 2]" 1
1178 1 72 LYS HA 1 75 ALA H . . 4.200 3.139 2.931 3.304 . 0 0 "[ . 1 . 2]" 1
1179 1 72 LYS HA 1 75 ALA MB . . 3.280 2.372 2.013 2.897 . 0 0 "[ . 1 . 2]" 1
1180 1 72 LYS QB 1 72 LYS HD2 . . 3.670 2.471 2.206 3.141 . 0 0 "[ . 1 . 2]" 1
1181 1 72 LYS QB 1 72 LYS HD3 . . 3.660 3.042 2.534 3.499 . 0 0 "[ . 1 . 2]" 1
1182 1 72 LYS QB 1 72 LYS QE . . 3.610 3.171 1.891 3.677 0.067 15 0 "[ . 1 . 2]" 1
1183 1 72 LYS QB 1 73 ILE H . . 3.550 2.488 2.308 2.666 . 0 0 "[ . 1 . 2]" 1
1184 1 72 LYS QE 1 72 LYS HG2 . . 3.740 2.922 2.255 3.443 . 0 0 "[ . 1 . 2]" 1
1185 1 72 LYS QE 1 72 LYS HG3 . . 3.670 2.383 2.206 2.594 . 0 0 "[ . 1 . 2]" 1
1186 1 72 LYS QE 1 75 ALA MB . . 4.570 4.449 2.730 4.618 0.048 15 0 "[ . 1 . 2]" 1
1187 1 72 LYS HG2 1 73 ILE H . . 4.890 4.611 4.390 4.750 . 0 0 "[ . 1 . 2]" 1
1188 1 73 ILE H 1 73 ILE HB . . 3.030 2.340 2.246 2.454 . 0 0 "[ . 1 . 2]" 1
1189 1 73 ILE H 1 73 ILE MD . . 3.790 2.810 2.477 3.054 . 0 0 "[ . 1 . 2]" 1
1190 1 73 ILE H 1 73 ILE HG12 . . 3.920 3.767 3.640 3.889 . 0 0 "[ . 1 . 2]" 1
1191 1 73 ILE H 1 73 ILE HG13 . . 3.390 2.375 2.185 2.543 . 0 0 "[ . 1 . 2]" 1
1192 1 73 ILE H 1 73 ILE MG . . 4.010 3.688 3.657 3.709 . 0 0 "[ . 1 . 2]" 1
1193 1 73 ILE H 1 74 LYS H . . 3.550 2.859 2.643 2.994 . 0 0 "[ . 1 . 2]" 1
1194 1 73 ILE H 1 75 ALA H . . 4.920 4.088 3.841 4.543 . 0 0 "[ . 1 . 2]" 1
1195 1 73 ILE H 1 80 LEU MD1 . . 4.860 4.112 3.898 4.297 . 0 0 "[ . 1 . 2]" 1
1196 1 73 ILE HA 1 73 ILE MD . . 3.720 3.751 3.651 3.819 0.099 1 0 "[ . 1 . 2]" 1
1197 1 73 ILE HA 1 73 ILE HG12 . . 3.220 2.913 2.774 3.089 . 0 0 "[ . 1 . 2]" 1
1198 1 73 ILE HA 1 73 ILE HG13 . . 3.390 2.389 2.248 2.544 . 0 0 "[ . 1 . 2]" 1
1199 1 73 ILE HA 1 73 ILE MG . . 3.290 2.509 2.412 2.579 . 0 0 "[ . 1 . 2]" 1
1200 1 73 ILE HA 1 75 ALA H . . 4.810 4.143 3.724 4.578 . 0 0 "[ . 1 . 2]" 1
1201 1 73 ILE HA 1 76 CYS H . . 4.320 3.430 3.077 4.259 . 0 0 "[ . 1 . 2]" 1
1202 1 73 ILE HA 1 76 CYS QB . . 3.830 2.921 2.370 3.505 . 0 0 "[ . 1 . 2]" 1
1203 1 73 ILE HA 1 80 LEU MD1 . . 3.450 1.981 1.839 2.352 . 0 0 "[ . 1 . 2]" 1
1204 1 73 ILE HA 1 80 LEU MD2 . . 4.190 3.365 2.890 3.900 . 0 0 "[ . 1 . 2]" 1
1205 1 73 ILE HB 1 74 LYS H . . 3.450 2.779 2.559 3.071 . 0 0 "[ . 1 . 2]" 1
1206 1 73 ILE MD 1 74 LYS H . . 4.500 4.276 4.064 4.472 . 0 0 "[ . 1 . 2]" 1
1207 1 73 ILE MD 1 80 LEU MD2 . . 3.860 3.311 3.064 3.475 . 0 0 "[ . 1 . 2]" 1
1208 1 73 ILE HG12 1 80 LEU MD2 . . 4.480 1.998 1.855 2.157 . 0 0 "[ . 1 . 2]" 1
1209 1 73 ILE HG13 1 73 ILE MG . . 3.570 3.118 3.032 3.166 . 0 0 "[ . 1 . 2]" 1
1210 1 73 ILE HG13 1 80 LEU MD1 . . 3.920 2.948 2.547 3.439 . 0 0 "[ . 1 . 2]" 1
1211 1 73 ILE HG13 1 80 LEU MD2 . . 4.840 3.124 2.666 3.634 . 0 0 "[ . 1 . 2]" 1
1212 1 73 ILE MG 1 74 LYS H . . 3.940 3.334 3.025 3.621 . 0 0 "[ . 1 . 2]" 1
1213 1 73 ILE MG 1 74 LYS HA . . 3.890 3.425 3.276 3.591 . 0 0 "[ . 1 . 2]" 1
1214 1 73 ILE MG 1 76 CYS H . . 5.180 4.254 3.863 4.534 . 0 0 "[ . 1 . 2]" 1
1215 1 73 ILE MG 1 76 CYS QB . . 4.160 3.376 3.044 3.731 . 0 0 "[ . 1 . 2]" 1
1216 1 73 ILE MG 1 80 LEU MD1 . . 3.610 2.498 1.929 3.157 . 0 0 "[ . 1 . 2]" 1
1217 1 73 ILE MG 1 80 LEU MD2 . . 3.430 2.351 1.848 2.680 . 0 0 "[ . 1 . 2]" 1
1218 1 74 LYS H 1 74 LYS QB . . 2.960 2.067 1.985 2.264 . 0 0 "[ . 1 . 2]" 1
1219 1 74 LYS H 1 74 LYS QD . . 4.750 3.731 2.435 4.528 . 0 0 "[ . 1 . 2]" 1
1220 1 74 LYS H 1 74 LYS HG2 . . 4.200 4.183 3.701 4.429 0.229 20 0 "[ . 1 . 2]" 1
1221 1 74 LYS H 1 74 LYS HG3 . . 4.390 3.339 2.579 3.992 . 0 0 "[ . 1 . 2]" 1
1222 1 74 LYS H 1 75 ALA H . . 3.470 2.633 2.319 2.826 . 0 0 "[ . 1 . 2]" 1
1223 1 74 LYS H 1 75 ALA MB . . 4.600 4.179 3.855 4.483 . 0 0 "[ . 1 . 2]" 1
1224 1 74 LYS H 1 76 CYS H . . 4.960 4.098 3.730 4.670 . 0 0 "[ . 1 . 2]" 1
1225 1 74 LYS HA 1 74 LYS HG2 . . 4.160 2.634 2.169 3.398 . 0 0 "[ . 1 . 2]" 1
1226 1 74 LYS HA 1 74 LYS HG3 . . 3.690 2.384 1.962 2.892 . 0 0 "[ . 1 . 2]" 1
1227 1 74 LYS HA 1 76 CYS H . . 4.490 3.909 3.320 4.455 . 0 0 "[ . 1 . 2]" 1
1228 1 74 LYS QB 1 74 LYS QD . . 3.390 2.124 1.951 2.321 . 0 0 "[ . 1 . 2]" 1
1229 1 74 LYS QB 1 74 LYS QE . . 4.430 3.048 2.055 3.711 . 0 0 "[ . 1 . 2]" 1
1230 1 74 LYS QB 1 75 ALA H . . 3.570 2.925 2.551 3.271 . 0 0 "[ . 1 . 2]" 1
1231 1 74 LYS QB 1 75 ALA HA . . 4.760 3.947 3.823 4.131 . 0 0 "[ . 1 . 2]" 1
1232 1 74 LYS QB 1 75 ALA MB . . 4.000 3.961 3.590 4.091 0.091 18 0 "[ . 1 . 2]" 1
1233 1 74 LYS QB 1 76 CYS H . . 4.950 4.634 4.406 4.910 . 0 0 "[ . 1 . 2]" 1
1234 1 74 LYS QD 1 74 LYS HG3 . . 2.700 2.366 2.185 2.571 . 0 0 "[ . 1 . 2]" 1
1235 1 74 LYS QE 1 74 LYS HG2 . . 3.550 2.587 2.029 3.413 . 0 0 "[ . 1 . 2]" 1
1236 1 75 ALA H 1 75 ALA MB . . 2.800 2.058 1.947 2.270 . 0 0 "[ . 1 . 2]" 1
1237 1 75 ALA H 1 76 CYS H . . 3.470 2.668 2.371 3.211 . 0 0 "[ . 1 . 2]" 1
1238 1 75 ALA H 1 76 CYS QB . . 5.060 4.548 4.210 4.835 . 0 0 "[ . 1 . 2]" 1
1239 1 75 ALA MB 1 76 CYS H . . 3.760 2.922 2.525 3.772 0.012 11 0 "[ . 1 . 2]" 1
1240 1 75 ALA MB 1 76 CYS HA . . 4.390 3.842 3.673 4.208 . 0 0 "[ . 1 . 2]" 1
1241 1 75 ALA MB 1 76 CYS QB . . 4.680 4.407 4.086 4.810 0.130 11 0 "[ . 1 . 2]" 1
1242 1 76 CYS H 1 76 CYS QB . . 2.920 2.321 2.135 2.726 . 0 0 "[ . 1 . 2]" 1
1243 1 76 CYS H 1 77 THR H . . 4.920 4.453 4.195 4.667 . 0 0 "[ . 1 . 2]" 1
1244 1 76 CYS H 1 80 LEU MD1 . . 5.120 3.644 3.291 4.556 . 0 0 "[ . 1 . 2]" 1
1245 1 76 CYS HA 1 77 THR H . . 2.990 2.273 2.222 2.533 . 0 0 "[ . 1 . 2]" 1
1246 1 76 CYS HA 1 77 THR MG . . 4.680 3.918 3.184 4.198 . 0 0 "[ . 1 . 2]" 1
1247 1 76 CYS QB 1 77 THR H . . 4.090 3.408 2.428 3.806 . 0 0 "[ . 1 . 2]" 1
1248 1 76 CYS QB 1 79 SER H . . 5.240 3.929 3.482 4.966 . 0 0 "[ . 1 . 2]" 1
1249 1 76 CYS QB 1 80 LEU HA . . 3.970 3.128 2.668 3.941 . 0 0 "[ . 1 . 2]" 1
1250 1 76 CYS QB 1 80 LEU HB2 . . 3.990 3.411 3.253 3.752 . 0 0 "[ . 1 . 2]" 1
1251 1 76 CYS QB 1 80 LEU HB3 . . 4.670 4.745 4.686 4.823 0.153 15 0 "[ . 1 . 2]" 1
1252 1 76 CYS QB 1 80 LEU MD1 . . 3.280 1.910 1.702 2.230 . 0 0 "[ . 1 . 2]" 1
1253 1 76 CYS QB 1 80 LEU MD2 . . 4.390 3.838 3.477 4.075 . 0 0 "[ . 1 . 2]" 1
1254 1 77 THR H 1 77 THR MG . . 3.870 2.425 1.979 2.939 . 0 0 "[ . 1 . 2]" 1
1255 1 77 THR H 1 78 GLY H . . 3.980 2.642 1.930 3.940 . 0 0 "[ . 1 . 2]" 1
1256 1 77 THR H 1 79 SER H . . 4.890 3.989 3.176 4.647 . 0 0 "[ . 1 . 2]" 1
1257 1 77 THR HA 1 77 THR MG . . 3.120 2.972 2.279 3.233 0.113 3 0 "[ . 1 . 2]" 1
1258 1 77 THR HB 1 78 GLY H . . 4.780 4.254 3.541 4.716 . 0 0 "[ . 1 . 2]" 1
1259 1 78 GLY H 1 79 SER H . . 4.030 2.761 1.975 3.890 . 0 0 "[ . 1 . 2]" 1
1260 1 78 GLY HA3 1 79 SER H . . 3.450 2.600 2.434 2.802 . 0 0 "[ . 1 . 2]" 1
1261 1 79 SER H 1 79 SER HB2 . . 3.760 3.658 3.395 3.745 . 0 0 "[ . 1 . 2]" 1
1262 1 79 SER H 1 80 LEU H . . 4.900 4.448 4.406 4.528 . 0 0 "[ . 1 . 2]" 1
1263 1 79 SER HA 1 80 LEU H . . 3.130 2.485 2.414 2.519 . 0 0 "[ . 1 . 2]" 1
1264 1 79 SER HB2 1 80 LEU H . . 3.510 2.561 2.455 3.054 . 0 0 "[ . 1 . 2]" 1
1265 1 79 SER HB2 1 81 ASN HD21 . . 5.470 3.291 2.976 3.615 . 0 0 "[ . 1 . 2]" 1
1266 1 79 SER HB2 1 81 ASN HD22 . . 4.430 3.898 3.566 4.366 . 0 0 "[ . 1 . 2]" 1
1267 1 79 SER HB3 1 80 LEU H . . 3.560 3.528 3.181 3.591 0.031 3 0 "[ . 1 . 2]" 1
1268 1 79 SER HB3 1 81 ASN HD22 . . 4.900 5.325 4.972 5.836 0.936 5 7 "[ * + * * .- * *]" 1
1269 1 80 LEU H 1 80 LEU HB2 . . 3.970 2.720 2.484 2.943 . 0 0 "[ . 1 . 2]" 1
1270 1 80 LEU H 1 80 LEU HB3 . . 3.730 2.769 2.595 2.919 . 0 0 "[ . 1 . 2]" 1
1271 1 80 LEU H 1 80 LEU MD1 . . 4.880 4.069 3.919 4.198 . 0 0 "[ . 1 . 2]" 1
1272 1 80 LEU H 1 80 LEU MD2 . . 4.880 4.474 4.379 4.544 . 0 0 "[ . 1 . 2]" 1
1273 1 80 LEU H 1 81 ASN H . . 5.130 4.380 4.176 4.569 . 0 0 "[ . 1 . 2]" 1
1274 1 80 LEU HA 1 80 LEU MD1 . . 3.130 2.015 1.945 2.173 . 0 0 "[ . 1 . 2]" 1
1275 1 80 LEU HA 1 80 LEU MD2 . . 4.490 3.829 3.788 3.862 . 0 0 "[ . 1 . 2]" 1
1276 1 80 LEU HA 1 80 LEU HG . . 4.100 2.846 2.729 3.176 . 0 0 "[ . 1 . 2]" 1
1277 1 80 LEU HA 1 81 ASN H . . 2.990 2.211 2.176 2.295 . 0 0 "[ . 1 . 2]" 1
1278 1 80 LEU HA 1 81 ASN QB . . 4.810 4.030 3.920 4.146 . 0 0 "[ . 1 . 2]" 1
1279 1 80 LEU HB2 1 80 LEU MD1 . . 3.430 2.361 2.263 2.414 . 0 0 "[ . 1 . 2]" 1
1280 1 80 LEU HB2 1 80 LEU MD2 . . 3.550 2.460 2.260 2.524 . 0 0 "[ . 1 . 2]" 1
1281 1 80 LEU HB2 1 81 ASN H . . 4.750 4.430 4.174 4.575 . 0 0 "[ . 1 . 2]" 1
1282 1 80 LEU HB3 1 80 LEU MD2 . . 3.480 2.264 2.185 2.448 . 0 0 "[ . 1 . 2]" 1
1283 1 80 LEU HB3 1 81 ASN H . . 4.820 4.070 3.731 4.349 . 0 0 "[ . 1 . 2]" 1
1284 1 80 LEU MD1 1 81 ASN H . . 3.510 3.025 2.096 3.408 . 0 0 "[ . 1 . 2]" 1
1285 1 80 LEU MD1 1 82 MET ME . . 4.400 3.898 3.199 4.434 0.034 19 0 "[ . 1 . 2]" 1
1286 1 80 LEU MD1 1 82 MET QG . . 3.910 3.235 2.330 3.526 . 0 0 "[ . 1 . 2]" 1
1287 1 80 LEU MD2 1 81 ASN H . . 5.290 4.549 4.081 4.891 . 0 0 "[ . 1 . 2]" 1
1288 1 80 LEU MD2 1 82 MET ME . . 2.990 1.914 1.742 2.667 . 0 0 "[ . 1 . 2]" 1
1289 1 80 LEU MD2 1 82 MET QG . . 4.310 3.031 2.766 3.283 . 0 0 "[ . 1 . 2]" 1
1290 1 80 LEU HG 1 81 ASN H . . 4.390 3.049 2.435 3.556 . 0 0 "[ . 1 . 2]" 1
1291 1 80 LEU HG 1 82 MET ME . . 4.430 3.032 2.292 3.860 . 0 0 "[ . 1 . 2]" 1
1292 1 80 LEU HG 1 82 MET QG . . 3.660 2.145 1.975 2.330 . 0 0 "[ . 1 . 2]" 1
1293 1 81 ASN H 1 81 ASN QB . . 3.490 2.351 2.166 2.524 . 0 0 "[ . 1 . 2]" 1
1294 1 81 ASN H 1 81 ASN HD21 . . 4.710 3.319 2.775 3.619 . 0 0 "[ . 1 . 2]" 1
1295 1 81 ASN H 1 81 ASN HD22 . . 5.240 4.922 4.437 5.196 . 0 0 "[ . 1 . 2]" 1
1296 1 81 ASN H 1 82 MET HA . . 5.360 4.862 4.676 5.079 . 0 0 "[ . 1 . 2]" 1
1297 1 81 ASN HA 1 82 MET H . . 2.810 2.270 2.259 2.272 . 0 0 "[ . 1 . 2]" 1
1298 1 81 ASN QB 1 82 MET H . . 3.380 3.739 3.653 3.774 0.394 5 0 "[ . 1 . 2]" 1
1299 1 82 MET H 1 82 MET HB2 . . 3.930 2.858 2.783 2.920 . 0 0 "[ . 1 . 2]" 1
1300 1 82 MET H 1 82 MET ME . . 4.670 3.678 3.423 4.185 . 0 0 "[ . 1 . 2]" 1
1301 1 82 MET H 1 82 MET QG . . 4.340 2.666 2.513 2.887 . 0 0 "[ . 1 . 2]" 1
1302 1 82 MET H 1 83 THR H . . 5.020 4.424 4.338 4.476 . 0 0 "[ . 1 . 2]" 1
1303 1 82 MET HA 1 82 MET ME . . 4.790 4.417 4.353 4.481 . 0 0 "[ . 1 . 2]" 1
1304 1 82 MET HA 1 82 MET QG . . 3.630 2.566 2.489 2.639 . 0 0 "[ . 1 . 2]" 1
1305 1 82 MET HA 1 83 THR H . . 3.050 2.393 2.264 2.530 . 0 0 "[ . 1 . 2]" 1
1306 1 82 MET HB2 1 82 MET ME . . 3.220 2.004 1.950 2.212 . 0 0 "[ . 1 . 2]" 1
1307 1 82 MET HB2 1 83 THR H . . 4.230 3.660 3.393 3.959 . 0 0 "[ . 1 . 2]" 1
1308 1 82 MET HB3 1 82 MET ME . . 3.630 3.019 2.450 3.229 . 0 0 "[ . 1 . 2]" 1
1309 1 82 MET HB3 1 83 THR H . . 3.760 2.806 2.460 3.186 . 0 0 "[ . 1 . 2]" 1
1310 1 82 MET HB3 1 84 LEU MD2 . . 3.780 3.807 3.755 3.833 0.053 15 0 "[ . 1 . 2]" 1
1311 1 82 MET ME 1 82 MET QG . . 3.300 2.337 2.279 2.406 . 0 0 "[ . 1 . 2]" 1
1312 1 82 MET QG 1 83 THR H . . 4.700 4.257 4.116 4.373 . 0 0 "[ . 1 . 2]" 1
1313 1 83 THR H 1 83 THR HB . . 3.720 2.661 2.527 2.746 . 0 0 "[ . 1 . 2]" 1
1314 1 83 THR H 1 83 THR MG . . 4.010 3.773 3.693 3.859 . 0 0 "[ . 1 . 2]" 1
1315 1 83 THR H 1 84 LEU H . . 4.720 4.567 4.499 4.625 . 0 0 "[ . 1 . 2]" 1
1316 1 83 THR HA 1 83 THR MG . . 3.090 2.219 2.132 2.313 . 0 0 "[ . 1 . 2]" 1
1317 1 83 THR HA 1 84 LEU H . . 2.990 2.276 2.241 2.307 . 0 0 "[ . 1 . 2]" 1
1318 1 83 THR HA 1 84 LEU MD2 . . 4.740 3.873 3.711 4.074 . 0 0 "[ . 1 . 2]" 1
1319 1 83 THR HB 1 84 LEU H . . 3.930 3.823 3.721 3.862 . 0 0 "[ . 1 . 2]" 1
1320 1 83 THR MG 1 84 LEU H . . 3.470 2.459 2.310 2.619 . 0 0 "[ . 1 . 2]" 1
1321 1 84 LEU H 1 84 LEU HB2 . . 3.670 2.641 2.545 2.821 . 0 0 "[ . 1 . 2]" 1
1322 1 84 LEU H 1 84 LEU MD1 . . 4.330 4.079 3.753 4.244 . 0 0 "[ . 1 . 2]" 1
1323 1 84 LEU H 1 84 LEU MD2 . . 4.330 3.465 3.334 3.680 . 0 0 "[ . 1 . 2]" 1
1324 1 84 LEU H 1 84 LEU HG . . 3.970 2.833 2.465 3.005 . 0 0 "[ . 1 . 2]" 1
1325 1 84 LEU H 1 85 GLN H . . 5.170 4.499 4.462 4.513 . 0 0 "[ . 1 . 2]" 1
1326 1 84 LEU HA 1 84 LEU MD1 . . 4.520 3.837 3.732 3.987 . 0 0 "[ . 1 . 2]" 1
1327 1 84 LEU HA 1 84 LEU MD2 . . 3.180 2.109 2.011 2.235 . 0 0 "[ . 1 . 2]" 1
1328 1 84 LEU HA 1 85 GLN H . . 2.990 2.457 2.353 2.517 . 0 0 "[ . 1 . 2]" 1
1329 1 84 LEU HA 1 85 GLN HB3 . . 4.550 4.408 4.377 4.476 . 0 0 "[ . 1 . 2]" 1
1330 1 84 LEU HB2 1 84 LEU MD1 . . 3.460 2.392 2.159 2.500 . 0 0 "[ . 1 . 2]" 1
1331 1 84 LEU HB2 1 85 GLN H . . 4.230 3.591 3.369 3.807 . 0 0 "[ . 1 . 2]" 1
1332 1 84 LEU HB3 1 84 LEU MD1 . . 3.460 2.323 2.207 2.540 . 0 0 "[ . 1 . 2]" 1
1333 1 84 LEU HB3 1 84 LEU MD2 . . 3.170 2.449 2.353 2.558 . 0 0 "[ . 1 . 2]" 1
1334 1 84 LEU HB3 1 85 GLN H . . 3.910 2.533 2.402 2.762 . 0 0 "[ . 1 . 2]" 1
1335 1 84 LEU MD2 1 85 GLN H . . 4.040 3.618 3.457 3.958 . 0 0 "[ . 1 . 2]" 1
1336 1 84 LEU HG 1 85 GLN H . . 5.280 5.050 4.965 5.157 . 0 0 "[ . 1 . 2]" 1
1337 1 85 GLN H 1 85 GLN HB2 . . 3.680 3.179 3.031 3.244 . 0 0 "[ . 1 . 2]" 1
1338 1 85 GLN H 1 85 GLN HB3 . . 3.400 2.419 2.272 2.638 . 0 0 "[ . 1 . 2]" 1
1339 1 85 GLN H 1 85 GLN HG2 . . 4.900 4.185 4.064 4.667 . 0 0 "[ . 1 . 2]" 1
1340 1 85 GLN H 1 85 GLN HG3 . . 4.730 4.630 4.327 4.878 0.148 5 0 "[ . 1 . 2]" 1
1341 1 85 GLN H 1 86 ARG H . . 5.220 4.418 4.344 4.528 . 0 0 "[ . 1 . 2]" 1
1342 1 85 GLN HA 1 86 ARG H . . 3.120 2.239 2.204 2.367 . 0 0 "[ . 1 . 2]" 1
1343 1 85 GLN HB2 1 85 GLN HE22 . . 5.390 4.388 3.858 4.905 . 0 0 "[ . 1 . 2]" 1
1344 1 85 GLN HB3 1 86 ARG H . . 4.530 4.366 4.074 4.507 . 0 0 "[ . 1 . 2]" 1
1345 1 85 GLN HG2 1 86 ARG H . . 3.960 3.164 2.007 3.961 0.001 11 0 "[ . 1 . 2]" 1
1346 1 85 GLN HG3 1 86 ARG H . . 4.230 3.036 2.237 3.814 . 0 0 "[ . 1 . 2]" 1
1347 1 86 ARG H 1 86 ARG HB2 . . 3.570 2.941 2.142 3.588 0.018 20 0 "[ . 1 . 2]" 1
1348 1 86 ARG H 1 86 ARG HB3 . . 3.600 2.870 2.324 3.500 . 0 0 "[ . 1 . 2]" 1
1349 1 86 ARG H 1 86 ARG QD . . 4.660 1.987 1.768 2.256 . 0 0 "[ . 1 . 2]" 1
1350 1 86 ARG H 1 86 ARG QG . . 3.580 3.391 3.253 3.562 . 0 0 "[ . 1 . 2]" 1
1351 1 86 ARG HA 1 86 ARG QD . . 3.600 2.974 1.958 3.596 . 0 0 "[ . 1 . 2]" 1
1352 1 86 ARG HA 1 86 ARG QG . . 3.760 2.998 2.384 3.459 . 0 0 "[ . 1 . 2]" 1
1353 1 86 ARG HA 1 87 ALA H . . 2.930 2.324 2.226 2.418 . 0 0 "[ . 1 . 2]" 1
1354 1 86 ARG HA 1 87 ALA MB . . 4.620 3.886 3.747 3.985 . 0 0 "[ . 1 . 2]" 1
1355 1 86 ARG HB2 1 86 ARG QD . . 3.430 2.960 2.422 3.525 0.095 17 0 "[ . 1 . 2]" 1
1356 1 86 ARG HB2 1 87 ALA H . . 4.100 3.594 2.823 4.505 0.405 12 0 "[ . 1 . 2]" 1
1357 1 86 ARG HB2 1 88 SER H . . 5.200 4.920 4.334 5.619 0.419 8 0 "[ . 1 . 2]" 1
1358 1 86 ARG HB3 1 86 ARG QD . . 3.830 2.835 2.353 3.341 . 0 0 "[ . 1 . 2]" 1
1359 1 86 ARG HB3 1 87 ALA H . . 4.470 3.879 3.512 4.163 . 0 0 "[ . 1 . 2]" 1
1360 1 86 ARG QD 1 86 ARG QH1 . . 3.800 1.989 1.896 2.161 . 0 0 "[ . 1 . 2]" 1
1361 1 86 ARG QD 1 87 ALA H . . 4.410 4.372 3.906 4.440 0.030 14 0 "[ . 1 . 2]" 1
1362 1 86 ARG QG 1 87 ALA H . . 4.080 3.603 3.196 4.042 . 0 0 "[ . 1 . 2]" 1
1363 1 86 ARG QG 1 88 SER H . . 5.310 4.132 2.654 5.260 . 0 0 "[ . 1 . 2]" 1
1364 1 87 ALA H 1 87 ALA MB . . 3.080 2.443 2.147 2.844 . 0 0 "[ . 1 . 2]" 1
1365 1 87 ALA H 1 88 SER H . . 4.420 3.676 3.223 4.044 . 0 0 "[ . 1 . 2]" 1
1366 1 87 ALA HA 1 88 SER H . . 3.110 2.332 2.203 2.426 . 0 0 "[ . 1 . 2]" 1
1367 1 87 ALA MB 1 88 SER H . . 3.780 3.679 3.503 3.755 . 0 0 "[ . 1 . 2]" 1
1368 1 88 SER H 1 88 SER QB . . 3.690 2.579 2.119 3.339 . 0 0 "[ . 1 . 2]" 1
1369 1 88 SER HA 1 89 ALA H . . 3.410 2.481 2.308 2.909 . 0 0 "[ . 1 . 2]" 1
1370 1 88 SER HA 1 89 ALA MB . . 4.260 4.109 3.698 4.299 0.039 1 0 "[ . 1 . 2]" 1
1371 1 88 SER QB 1 89 ALA H . . 4.640 3.042 1.993 4.094 . 0 0 "[ . 1 . 2]" 1
1372 1 88 SER QB 1 89 ALA MB . . 4.320 3.751 2.920 4.183 . 0 0 "[ . 1 . 2]" 1
1373 1 89 ALA H 1 89 ALA MB . . 3.540 2.643 2.010 2.919 . 0 0 "[ . 1 . 2]" 1
1374 1 89 ALA HA 1 90 ALA H . . 3.360 2.348 2.187 2.693 . 0 0 "[ . 1 . 2]" 1
1375 1 90 ALA HA 1 91 ALA H . . 3.300 2.374 2.187 2.609 . 0 0 "[ . 1 . 2]" 1
1376 1 91 ALA H 1 91 ALA MB . . 3.240 2.563 1.998 2.911 . 0 0 "[ . 1 . 2]" 1
1377 1 91 ALA HA 1 92 LYS H . . 3.250 2.346 2.186 2.792 . 0 0 "[ . 1 . 2]" 1
1378 1 91 ALA HA 1 92 LYS HD2 . . 4.360 3.878 2.759 4.686 0.326 17 0 "[ . 1 . 2]" 1
1379 1 91 ALA HA 1 92 LYS HD3 . . 4.660 3.500 2.684 4.371 . 0 0 "[ . 1 . 2]" 1
1380 1 91 ALA MB 1 92 LYS H . . 4.170 3.073 1.929 3.752 . 0 0 "[ . 1 . 2]" 1
1381 1 92 LYS H 1 92 LYS HB3 . . 3.730 3.312 2.438 4.048 0.318 15 0 "[ . 1 . 2]" 1
1382 1 92 LYS H 1 92 LYS HD3 . . 4.610 2.548 1.996 4.390 . 0 0 "[ . 1 . 2]" 1
1383 1 92 LYS H 1 92 LYS QE . . 5.090 4.218 3.848 4.960 . 0 0 "[ . 1 . 2]" 1
1384 1 92 LYS HA 1 93 SER H . . 3.510 2.410 2.177 3.437 . 0 0 "[ . 1 . 2]" 1
1385 1 93 SER HA 1 94 GLU H . . 3.270 2.266 2.217 2.446 . 0 0 "[ . 1 . 2]" 1
1386 1 93 SER QB 1 94 GLU H . . 4.610 3.449 2.558 3.966 . 0 0 "[ . 1 . 2]" 1
1387 1 94 GLU H 1 94 GLU HB3 . . 3.900 3.175 2.489 3.646 . 0 0 "[ . 1 . 2]" 1
1388 1 94 GLU H 1 94 GLU QG . . 4.970 2.790 1.949 4.102 . 0 0 "[ . 1 . 2]" 1
1389 1 94 GLU HA 1 95 PRO HD2 . . 3.310 2.544 2.217 2.803 . 0 0 "[ . 1 . 2]" 1
1390 1 94 GLU HA 1 95 PRO HD3 . . 3.350 1.986 1.928 2.075 . 0 0 "[ . 1 . 2]" 1
1391 1 94 GLU HB2 1 95 PRO HD3 . . 4.320 4.093 3.062 4.877 0.557 14 1 "[ . 1 +. 2]" 1
1392 1 95 PRO HA 1 96 VAL H . . 3.270 2.287 2.150 2.585 . 0 0 "[ . 1 . 2]" 1
1393 1 96 VAL H 1 96 VAL HB . . 4.030 2.741 2.283 3.753 . 0 0 "[ . 1 . 2]" 1
1394 1 96 VAL H 1 96 VAL MG1 . . 4.340 3.008 1.873 3.771 . 0 0 "[ . 1 . 2]" 1
1395 1 96 VAL H 1 96 VAL MG2 . . 4.200 2.838 1.945 3.904 . 0 0 "[ . 1 . 2]" 1
1396 1 96 VAL HA 1 97 SER H . . 3.330 2.251 2.182 2.433 . 0 0 "[ . 1 . 2]" 1
1397 1 96 VAL HB 1 97 SER H . . 5.010 4.047 2.581 4.546 . 0 0 "[ . 1 . 2]" 1
1398 1 96 VAL MG2 1 97 SER H . . 4.970 3.453 1.937 4.279 . 0 0 "[ . 1 . 2]" 1
1399 1 98 SER QB 1 99 GLY H . . 5.480 3.267 2.436 3.985 . 0 0 "[ . 1 . 2]" 1
1400 1 99 GLY HA2 1 100 PRO QD . . 3.380 2.214 1.867 3.454 0.074 15 0 "[ . 1 . 2]" 1
1401 1 99 GLY HA3 1 100 PRO QD . . 3.760 2.691 1.979 3.461 . 0 0 "[ . 1 . 2]" 1
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