NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
512982 |
2rru   |
11443 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rru
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 1068
_Distance_constraint_stats_list.Viol_count 2431
_Distance_constraint_stats_list.Viol_total 13259.171
_Distance_constraint_stats_list.Viol_max 1.788
_Distance_constraint_stats_list.Viol_rms 0.1314
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0310
_Distance_constraint_stats_list.Viol_average_violations_only 0.2727
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 PRO 0.010 0.010 10 0 "[ . 1 . 2]"
1 3 LEU 0.531 0.123 20 0 "[ . 1 . 2]"
1 4 GLY 0.521 0.123 20 0 "[ . 1 . 2]"
1 5 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 GLU 45.543 1.512 15 20 [*********-****+*****]
1 7 ALA 22.113 0.729 18 20 [*****************+*-]
1 8 ASP 67.338 1.512 15 20 [*********-****+*****]
1 9 PRO 8.921 0.391 10 0 "[ . 1 . 2]"
1 10 ARG 0.922 0.242 20 0 "[ . 1 . 2]"
1 11 LEU 39.974 0.613 1 20 [+********-**********]
1 12 ILE 11.396 0.452 12 0 "[ . 1 . 2]"
1 13 GLU 10.946 0.428 1 0 "[ . 1 . 2]"
1 14 SER 1.620 0.273 19 0 "[ . 1 . 2]"
1 15 LEU 26.964 0.613 1 20 [+********-**********]
1 16 SER 4.211 0.211 15 0 "[ . 1 . 2]"
1 17 GLN 18.907 0.538 1 2 "[+ . - 1 . 2]"
1 18 MET 70.900 1.204 12 20 [***********+********]
1 19 LEU 8.551 0.466 11 0 "[ . 1 . 2]"
1 20 SER 0.182 0.024 14 0 "[ . 1 . 2]"
1 21 MET 19.304 0.541 19 2 "[ . 1 - . +2]"
1 22 GLY 1.477 0.285 14 0 "[ . 1 . 2]"
1 23 PHE 8.109 0.472 20 0 "[ . 1 . 2]"
1 24 SER 4.428 0.472 20 0 "[ . 1 . 2]"
1 25 ASP 1.842 0.466 11 0 "[ . 1 . 2]"
1 26 GLU 1.819 0.375 16 0 "[ . 1 . 2]"
1 27 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLY 0.486 0.465 11 0 "[ . 1 . 2]"
1 29 TRP 2.960 0.375 16 0 "[ . 1 . 2]"
1 30 LEU 102.814 1.625 19 20 [*****-************+*]
1 31 THR 9.778 0.394 1 0 "[ . 1 . 2]"
1 32 ARG 4.658 0.213 11 0 "[ . 1 . 2]"
1 33 LEU 39.108 0.790 1 20 [+****-**************]
1 34 LEU 58.264 0.619 1 2 "[+ . * 1 . 2]"
1 35 GLN 10.459 0.411 20 0 "[ . 1 . 2]"
1 36 THR 1.198 0.235 11 0 "[ . 1 . 2]"
1 37 LYS 0.708 0.105 12 0 "[ . 1 . 2]"
1 38 ASN 4.766 0.235 11 0 "[ . 1 . 2]"
1 39 TYR 58.858 1.158 2 20 [*+*******-**********]
1 40 ASP 36.362 0.829 16 20 [*******-*******+****]
1 41 ILE 135.352 1.204 12 20 [***********+********]
1 42 GLY 10.917 0.394 18 0 "[ . 1 . 2]"
1 43 ALA 43.158 0.840 1 19 [+**-.***************]
1 44 ALA 31.888 0.452 14 0 "[ . 1 . 2]"
1 45 LEU 14.433 0.404 20 0 "[ . 1 . 2]"
1 46 ASP 37.760 0.915 16 20 [***-***********+****]
1 47 THR 52.895 1.788 4 20 [***+*********-******]
1 48 ILE 160.255 1.625 19 20 [****-*************+*]
1 49 GLN 35.437 0.820 16 20 [-**************+****]
1 50 TYR 35.192 0.700 17 17 "[**-******* *** +***]"
1 51 SER 23.387 1.788 4 17 "[**-+****** *** ****]"
1 52 LYS 2.914 0.305 20 0 "[ . 1 . 2]"
1 53 HIS 2.491 0.252 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 2 PRO HA 1 3 LEU QB . . 4.210 4.052 3.880 4.220 0.010 10 0 "[ . 1 . 2]" 1
2 1 2 PRO QB 1 3 LEU H . . 3.950 3.102 2.245 3.760 . 0 0 "[ . 1 . 2]" 1
3 1 3 LEU H 1 3 LEU QB . . 3.400 2.596 2.029 3.180 . 0 0 "[ . 1 . 2]" 1
4 1 3 LEU HA 1 3 LEU QD . . 3.360 2.513 2.032 3.127 . 0 0 "[ . 1 . 2]" 1
5 1 3 LEU HA 1 3 LEU HG . . 3.440 2.528 2.130 3.270 . 0 0 "[ . 1 . 2]" 1
6 1 3 LEU HA 1 4 GLY H . . 3.560 2.262 2.143 2.556 . 0 0 "[ . 1 . 2]" 1
7 1 3 LEU HA 1 4 GLY HA2 . . 4.500 4.388 4.304 4.494 . 0 0 "[ . 1 . 2]" 1
8 1 3 LEU HA 1 4 GLY QA . . 3.960 3.934 3.894 4.018 0.058 2 0 "[ . 1 . 2]" 1
9 1 3 LEU HA 1 4 GLY HA3 . . 4.500 4.451 4.323 4.623 0.123 20 0 "[ . 1 . 2]" 1
10 1 3 LEU HB2 1 4 GLY H . . 5.500 4.369 3.801 4.646 . 0 0 "[ . 1 . 2]" 1
11 1 3 LEU HB3 1 4 GLY H . . 5.500 3.806 2.415 4.444 . 0 0 "[ . 1 . 2]" 1
12 1 3 LEU QD 1 4 GLY H . . 5.500 3.396 2.165 4.541 . 0 0 "[ . 1 . 2]" 1
13 1 3 LEU HG 1 4 GLY H . . 5.410 3.470 2.527 4.780 . 0 0 "[ . 1 . 2]" 1
14 1 5 SER HA 1 5 SER QB . . 2.550 2.350 2.172 2.541 . 0 0 "[ . 1 . 2]" 1
15 1 5 SER QB 1 6 GLU H . . 4.060 3.324 2.204 4.053 . 0 0 "[ . 1 . 2]" 1
16 1 6 GLU H 1 6 GLU HB2 . . 4.060 2.725 2.103 3.755 . 0 0 "[ . 1 . 2]" 1
17 1 6 GLU H 1 6 GLU QB . . 3.350 2.568 2.074 3.146 . 0 0 "[ . 1 . 2]" 1
18 1 6 GLU H 1 6 GLU HB3 . . 4.060 3.463 2.850 3.956 . 0 0 "[ . 1 . 2]" 1
19 1 6 GLU H 1 7 ALA H . . 4.600 4.483 4.354 4.583 . 0 0 "[ . 1 . 2]" 1
20 1 6 GLU HA 1 6 GLU HG2 . . 3.620 3.067 2.313 3.802 0.182 12 0 "[ . 1 . 2]" 1
21 1 6 GLU HA 1 6 GLU QG . . 3.140 2.471 2.065 3.316 0.176 20 0 "[ . 1 . 2]" 1
22 1 6 GLU HA 1 6 GLU HG3 . . 3.620 2.836 2.083 3.798 0.178 7 0 "[ . 1 . 2]" 1
23 1 6 GLU HA 1 7 ALA H . . 2.730 2.536 2.392 2.705 . 0 0 "[ . 1 . 2]" 1
24 1 6 GLU HA 1 7 ALA MB . . 4.080 3.822 3.744 3.845 . 0 0 "[ . 1 . 2]" 1
25 1 6 GLU HA 1 8 ASP H . . 5.350 6.567 6.451 6.657 1.307 19 20 [*********-********+*] 1
26 1 6 GLU QB 1 6 GLU QG . . 2.360 2.046 1.983 2.086 . 0 0 "[ . 1 . 2]" 1
27 1 6 GLU QB 1 7 ALA H . . 3.490 2.384 1.946 3.207 . 0 0 "[ . 1 . 2]" 1
28 1 6 GLU QB 1 7 ALA HA . . 4.530 3.943 3.803 4.192 . 0 0 "[ . 1 . 2]" 1
29 1 6 GLU QB 1 8 ASP H . . 4.760 5.752 5.327 6.272 1.512 15 20 [*********-****+*****] 1
30 1 6 GLU HB2 1 7 ALA H . . 4.040 3.434 2.067 4.009 . 0 0 "[ . 1 . 2]" 1
31 1 6 GLU HB3 1 7 ALA H . . 4.040 2.614 1.967 3.605 . 0 0 "[ . 1 . 2]" 1
32 1 6 GLU QG 1 7 ALA H . . 4.150 3.009 1.985 4.053 . 0 0 "[ . 1 . 2]" 1
33 1 6 GLU HG2 1 7 ALA H . . 4.920 3.565 2.014 4.919 . 0 0 "[ . 1 . 2]" 1
34 1 6 GLU HG3 1 7 ALA H . . 4.920 3.595 1.995 4.705 . 0 0 "[ . 1 . 2]" 1
35 1 7 ALA H 1 7 ALA MB . . 2.810 2.623 2.420 2.726 . 0 0 "[ . 1 . 2]" 1
36 1 7 ALA H 1 8 ASP H . . 3.640 4.358 4.332 4.369 0.729 18 20 [*****************+*-] 1
37 1 7 ALA H 1 12 ILE MG . . 4.440 4.718 3.251 4.892 0.452 12 0 "[ . 1 . 2]" 1
38 1 7 ALA HA 1 8 ASP HA . . 4.870 4.465 4.311 4.505 . 0 0 "[ . 1 . 2]" 1
39 1 7 ALA HA 1 8 ASP QB . . 4.500 3.997 3.969 4.162 . 0 0 "[ . 1 . 2]" 1
40 1 7 ALA HA 1 11 LEU QD . . 4.710 2.990 2.919 3.090 . 0 0 "[ . 1 . 2]" 1
41 1 7 ALA MB 1 8 ASP H . . 3.410 1.984 1.908 2.802 . 0 0 "[ . 1 . 2]" 1
42 1 7 ALA MB 1 8 ASP QB . . 3.910 3.959 3.930 3.983 0.073 10 0 "[ . 1 . 2]" 1
43 1 7 ALA MB 1 11 LEU QB . . 3.800 3.463 2.958 3.675 . 0 0 "[ . 1 . 2]" 1
44 1 7 ALA MB 1 12 ILE H . . 4.510 3.714 3.302 3.876 . 0 0 "[ . 1 . 2]" 1
45 1 7 ALA MB 1 12 ILE HA . . 4.690 3.977 3.248 4.064 . 0 0 "[ . 1 . 2]" 1
46 1 7 ALA MB 1 12 ILE MG . . 3.200 2.023 1.741 2.116 . 0 0 "[ . 1 . 2]" 1
47 1 8 ASP H 1 8 ASP QB . . 3.280 2.446 2.069 2.524 . 0 0 "[ . 1 . 2]" 1
48 1 8 ASP H 1 9 PRO HD2 . . 4.800 4.782 4.716 4.789 . 0 0 "[ . 1 . 2]" 1
49 1 8 ASP H 1 9 PRO HD3 . . 4.650 5.021 4.998 5.041 0.391 10 0 "[ . 1 . 2]" 1
50 1 8 ASP H 1 11 LEU H . . 4.760 4.104 4.053 4.714 . 0 0 "[ . 1 . 2]" 1
51 1 8 ASP H 1 11 LEU QB . . 5.030 2.439 2.396 2.929 . 0 0 "[ . 1 . 2]" 1
52 1 8 ASP H 1 11 LEU QD . . 4.010 2.430 2.302 2.628 . 0 0 "[ . 1 . 2]" 1
53 1 8 ASP H 1 11 LEU HG . . 5.470 4.055 3.951 4.606 . 0 0 "[ . 1 . 2]" 1
54 1 8 ASP H 1 12 ILE MG . . 4.800 2.888 2.662 3.783 . 0 0 "[ . 1 . 2]" 1
55 1 8 ASP HA 1 9 PRO HD2 . . 3.570 2.502 2.501 2.503 . 0 0 "[ . 1 . 2]" 1
56 1 8 ASP HA 1 9 PRO HD3 . . 3.610 2.343 2.342 2.344 . 0 0 "[ . 1 . 2]" 1
57 1 8 ASP HA 1 9 PRO QG . . 4.100 4.067 4.066 4.067 . 0 0 "[ . 1 . 2]" 1
58 1 8 ASP HA 1 10 ARG H . . 4.500 4.284 4.252 4.339 . 0 0 "[ . 1 . 2]" 1
59 1 8 ASP QB 1 9 PRO HD2 . . 4.280 2.351 2.349 2.354 . 0 0 "[ . 1 . 2]" 1
60 1 8 ASP QB 1 9 PRO HD3 . . 4.810 3.611 3.609 3.614 . 0 0 "[ . 1 . 2]" 1
61 1 8 ASP QB 1 10 ARG H . . 4.320 2.505 2.459 2.584 . 0 0 "[ . 1 . 2]" 1
62 1 8 ASP QB 1 11 LEU H . . 3.880 2.969 2.864 3.036 . 0 0 "[ . 1 . 2]" 1
63 1 8 ASP QB 1 11 LEU QB . . 4.400 2.396 2.271 2.463 . 0 0 "[ . 1 . 2]" 1
64 1 8 ASP QB 1 11 LEU QD . . 4.190 2.765 2.584 2.935 . 0 0 "[ . 1 . 2]" 1
65 1 8 ASP QB 1 11 LEU HG . . 4.650 4.641 4.475 4.731 0.081 5 0 "[ . 1 . 2]" 1
66 1 8 ASP QB 1 12 ILE H . . 4.540 4.009 3.911 4.052 . 0 0 "[ . 1 . 2]" 1
67 1 9 PRO HA 1 11 LEU H . . 4.490 3.678 3.660 3.711 . 0 0 "[ . 1 . 2]" 1
68 1 9 PRO HA 1 12 ILE H . . 3.870 3.853 3.749 3.879 0.009 5 0 "[ . 1 . 2]" 1
69 1 9 PRO HA 1 12 ILE MD . . 3.740 3.482 3.398 3.536 . 0 0 "[ . 1 . 2]" 1
70 1 9 PRO HA 1 12 ILE HG12 . . 4.170 2.536 2.374 2.619 . 0 0 "[ . 1 . 2]" 1
71 1 9 PRO HA 1 12 ILE HG13 . . 3.910 2.907 2.845 3.015 . 0 0 "[ . 1 . 2]" 1
72 1 9 PRO HA 1 12 ILE MG . . 3.430 3.500 3.479 3.507 0.077 16 0 "[ . 1 . 2]" 1
73 1 9 PRO HA 1 13 GLU H . . 4.660 4.658 4.638 4.665 0.005 10 0 "[ . 1 . 2]" 1
74 1 9 PRO HB2 1 10 ARG H . . 4.450 3.289 3.221 3.330 . 0 0 "[ . 1 . 2]" 1
75 1 9 PRO HB3 1 10 ARG H . . 4.450 4.115 4.076 4.138 . 0 0 "[ . 1 . 2]" 1
76 1 9 PRO HD2 1 10 ARG H . . 4.000 2.648 2.646 2.654 . 0 0 "[ . 1 . 2]" 1
77 1 9 PRO HD3 1 10 ARG H . . 4.550 3.837 3.836 3.837 . 0 0 "[ . 1 . 2]" 1
78 1 9 PRO QG 1 10 ARG H . . 3.530 2.296 2.219 2.344 . 0 0 "[ . 1 . 2]" 1
79 1 9 PRO QG 1 10 ARG QB . . 4.320 3.610 3.280 3.910 . 0 0 "[ . 1 . 2]" 1
80 1 10 ARG H 1 10 ARG HB2 . . 3.810 2.395 2.179 2.645 . 0 0 "[ . 1 . 2]" 1
81 1 10 ARG H 1 10 ARG HB3 . . 3.810 3.566 3.415 3.656 . 0 0 "[ . 1 . 2]" 1
82 1 10 ARG H 1 10 ARG HD2 . . 4.380 3.738 2.837 4.332 . 0 0 "[ . 1 . 2]" 1
83 1 10 ARG H 1 10 ARG HD3 . . 4.380 3.410 2.666 4.129 . 0 0 "[ . 1 . 2]" 1
84 1 10 ARG H 1 10 ARG HG2 . . 4.540 3.412 2.148 4.419 . 0 0 "[ . 1 . 2]" 1
85 1 10 ARG H 1 10 ARG QG . . 3.980 2.942 2.133 3.840 . 0 0 "[ . 1 . 2]" 1
86 1 10 ARG H 1 10 ARG HG3 . . 4.540 3.726 2.913 4.237 . 0 0 "[ . 1 . 2]" 1
87 1 10 ARG H 1 11 LEU H . . 3.560 2.563 2.542 2.579 . 0 0 "[ . 1 . 2]" 1
88 1 10 ARG H 1 12 ILE H . . 4.520 4.398 4.333 4.420 . 0 0 "[ . 1 . 2]" 1
89 1 10 ARG H 1 39 TYR QE . . 5.420 5.390 5.337 5.424 0.004 9 0 "[ . 1 . 2]" 1
90 1 10 ARG HA 1 10 ARG HD2 . . 4.300 2.957 2.227 4.529 0.229 7 0 "[ . 1 . 2]" 1
91 1 10 ARG HA 1 10 ARG HD3 . . 4.300 3.406 2.402 4.542 0.242 20 0 "[ . 1 . 2]" 1
92 1 10 ARG HA 1 10 ARG HG2 . . 4.190 3.280 2.902 3.594 . 0 0 "[ . 1 . 2]" 1
93 1 10 ARG HA 1 10 ARG QG . . 3.660 2.592 2.148 3.090 . 0 0 "[ . 1 . 2]" 1
94 1 10 ARG HA 1 10 ARG HG3 . . 4.190 2.973 2.169 3.844 . 0 0 "[ . 1 . 2]" 1
95 1 10 ARG HA 1 13 GLU H . . 4.420 4.160 4.070 4.197 . 0 0 "[ . 1 . 2]" 1
96 1 10 ARG HA 1 13 GLU QB . . 4.080 3.943 3.867 4.037 . 0 0 "[ . 1 . 2]" 1
97 1 10 ARG QB 1 10 ARG QD . . 3.170 2.178 1.944 2.304 . 0 0 "[ . 1 . 2]" 1
98 1 10 ARG QB 1 39 TYR QB . . 5.140 4.320 4.239 4.398 . 0 0 "[ . 1 . 2]" 1
99 1 10 ARG HB2 1 10 ARG HD2 . . 4.120 3.257 2.419 3.628 . 0 0 "[ . 1 . 2]" 1
100 1 10 ARG HB2 1 10 ARG HD3 . . 4.120 3.005 2.001 4.091 . 0 0 "[ . 1 . 2]" 1
101 1 10 ARG HB3 1 10 ARG HD2 . . 4.120 3.173 2.272 4.069 . 0 0 "[ . 1 . 2]" 1
102 1 10 ARG HB3 1 10 ARG HD3 . . 4.120 3.412 2.925 3.664 . 0 0 "[ . 1 . 2]" 1
103 1 10 ARG QD 1 11 LEU H . . 5.340 4.766 4.449 5.304 . 0 0 "[ . 1 . 2]" 1
104 1 10 ARG QD 1 39 TYR QE . . 5.330 4.937 4.041 5.328 . 0 0 "[ . 1 . 2]" 1
105 1 11 LEU H 1 11 LEU QB . . 3.450 2.411 2.380 2.427 . 0 0 "[ . 1 . 2]" 1
106 1 11 LEU H 1 11 LEU QD . . 4.180 3.899 3.871 3.922 . 0 0 "[ . 1 . 2]" 1
107 1 11 LEU H 1 11 LEU HG . . 4.560 4.327 4.304 4.354 . 0 0 "[ . 1 . 2]" 1
108 1 11 LEU H 1 12 ILE H . . 3.490 2.096 2.055 2.121 . 0 0 "[ . 1 . 2]" 1
109 1 11 LEU H 1 12 ILE HA . . 4.850 4.734 4.727 4.749 . 0 0 "[ . 1 . 2]" 1
110 1 11 LEU H 1 12 ILE HB . . 5.480 5.526 5.516 5.541 0.061 10 0 "[ . 1 . 2]" 1
111 1 11 LEU H 1 12 ILE MD . . 4.760 4.633 4.541 4.748 . 0 0 "[ . 1 . 2]" 1
112 1 11 LEU H 1 12 ILE HG13 . . 4.640 3.178 3.114 3.274 . 0 0 "[ . 1 . 2]" 1
113 1 11 LEU H 1 12 ILE MG . . 4.440 3.803 3.742 3.851 . 0 0 "[ . 1 . 2]" 1
114 1 11 LEU H 1 13 GLU H . . 4.660 3.314 3.272 3.390 . 0 0 "[ . 1 . 2]" 1
115 1 11 LEU H 1 39 TYR QE . . 4.760 4.940 4.883 4.982 0.222 5 0 "[ . 1 . 2]" 1
116 1 11 LEU HA 1 11 LEU QD . . 3.320 2.397 2.362 2.421 . 0 0 "[ . 1 . 2]" 1
117 1 11 LEU HA 1 11 LEU HG . . 4.030 3.172 3.166 3.191 . 0 0 "[ . 1 . 2]" 1
118 1 11 LEU HA 1 14 SER H . . 3.770 3.650 3.618 3.686 . 0 0 "[ . 1 . 2]" 1
119 1 11 LEU HA 1 15 LEU QD . . 4.480 4.008 3.956 4.056 . 0 0 "[ . 1 . 2]" 1
120 1 11 LEU HA 1 35 GLN HA . . 5.500 5.611 5.572 5.667 0.167 19 0 "[ . 1 . 2]" 1
121 1 11 LEU HA 1 39 TYR QB . . 4.500 3.479 3.466 3.493 . 0 0 "[ . 1 . 2]" 1
122 1 11 LEU HA 1 39 TYR QD . . 4.190 2.617 2.588 2.665 . 0 0 "[ . 1 . 2]" 1
123 1 11 LEU HA 1 39 TYR QE . . 3.840 3.352 3.312 3.390 . 0 0 "[ . 1 . 2]" 1
124 1 11 LEU QB 1 12 ILE H . . 3.540 2.464 2.420 2.566 . 0 0 "[ . 1 . 2]" 1
125 1 11 LEU QB 1 12 ILE HA . . 4.550 4.205 4.183 4.241 . 0 0 "[ . 1 . 2]" 1
126 1 11 LEU QB 1 12 ILE MG . . 3.660 3.284 3.221 3.334 . 0 0 "[ . 1 . 2]" 1
127 1 11 LEU QB 1 35 GLN H . . 5.500 5.286 5.273 5.293 . 0 0 "[ . 1 . 2]" 1
128 1 11 LEU QB 1 39 TYR QD . . 4.520 3.537 3.506 3.556 . 0 0 "[ . 1 . 2]" 1
129 1 11 LEU QB 1 39 TYR QE . . 3.630 2.563 2.527 2.604 . 0 0 "[ . 1 . 2]" 1
130 1 11 LEU QD 1 12 ILE H . . 4.020 3.679 3.641 3.753 . 0 0 "[ . 1 . 2]" 1
131 1 11 LEU QD 1 14 SER H . . 4.390 4.241 4.218 4.275 . 0 0 "[ . 1 . 2]" 1
132 1 11 LEU QD 1 15 LEU H . . 4.230 3.929 3.924 3.935 . 0 0 "[ . 1 . 2]" 1
133 1 11 LEU QD 1 15 LEU HA . . 4.610 5.164 5.138 5.223 0.613 1 20 [+********-**********] 1
134 1 11 LEU QD 1 15 LEU HB2 . . 5.500 4.667 4.618 4.747 . 0 0 "[ . 1 . 2]" 1
135 1 11 LEU QD 1 15 LEU HB3 . . 5.330 5.299 5.267 5.324 . 0 0 "[ . 1 . 2]" 1
136 1 11 LEU QD 1 15 LEU QD . . 3.280 2.321 2.253 2.391 . 0 0 "[ . 1 . 2]" 1
137 1 11 LEU QD 1 15 LEU HG . . 3.550 3.438 3.393 3.463 . 0 0 "[ . 1 . 2]" 1
138 1 11 LEU QD 1 31 THR HA . . 3.460 2.559 2.425 2.660 . 0 0 "[ . 1 . 2]" 1
139 1 11 LEU QD 1 31 THR HB . . 3.780 4.012 3.925 4.174 0.394 1 0 "[ . 1 . 2]" 1
140 1 11 LEU QD 1 32 ARG H . . 5.500 4.306 4.251 4.393 . 0 0 "[ . 1 . 2]" 1
141 1 11 LEU QD 1 32 ARG HA . . 4.150 3.670 3.619 3.749 . 0 0 "[ . 1 . 2]" 1
142 1 11 LEU QD 1 33 LEU H . . 5.500 4.702 4.660 4.763 . 0 0 "[ . 1 . 2]" 1
143 1 11 LEU QD 1 34 LEU H . . 4.290 3.487 3.465 3.569 . 0 0 "[ . 1 . 2]" 1
144 1 11 LEU QD 1 34 LEU HB2 . . 4.130 1.918 1.906 1.939 . 0 0 "[ . 1 . 2]" 1
145 1 11 LEU QD 1 34 LEU QD . . 3.250 2.865 2.846 2.913 . 0 0 "[ . 1 . 2]" 1
146 1 11 LEU QD 1 35 GLN H . . 3.660 2.776 2.737 2.825 . 0 0 "[ . 1 . 2]" 1
147 1 11 LEU QD 1 35 GLN HA . . 3.900 3.481 3.415 3.548 . 0 0 "[ . 1 . 2]" 1
148 1 11 LEU QD 1 35 GLN HB2 . . 4.340 3.913 3.786 4.091 . 0 0 "[ . 1 . 2]" 1
149 1 11 LEU QD 1 35 GLN HB3 . . 4.390 4.333 4.205 4.427 0.037 19 0 "[ . 1 . 2]" 1
150 1 11 LEU QD 1 35 GLN HG2 . . 3.840 2.793 2.392 3.034 . 0 0 "[ . 1 . 2]" 1
151 1 11 LEU QD 1 35 GLN QG . . 3.330 2.109 2.022 2.241 . 0 0 "[ . 1 . 2]" 1
152 1 11 LEU QD 1 35 GLN HG3 . . 3.840 2.200 2.068 2.417 . 0 0 "[ . 1 . 2]" 1
153 1 11 LEU QD 1 39 TYR H . . 4.970 4.418 4.365 4.431 . 0 0 "[ . 1 . 2]" 1
154 1 11 LEU QD 1 39 TYR QB . . 4.280 4.084 4.026 4.126 . 0 0 "[ . 1 . 2]" 1
155 1 11 LEU QD 1 39 TYR QD . . 3.250 2.271 2.221 2.321 . 0 0 "[ . 1 . 2]" 1
156 1 11 LEU QD 1 39 TYR QE . . 3.200 2.219 2.182 2.244 . 0 0 "[ . 1 . 2]" 1
157 1 11 LEU HG 1 12 ILE H . . 3.810 3.420 3.368 3.496 . 0 0 "[ . 1 . 2]" 1
158 1 11 LEU HG 1 12 ILE HA . . 3.970 3.406 3.371 3.448 . 0 0 "[ . 1 . 2]" 1
159 1 11 LEU HG 1 15 LEU H . . 4.270 4.162 4.122 4.205 . 0 0 "[ . 1 . 2]" 1
160 1 11 LEU HG 1 15 LEU HB2 . . 5.370 4.521 4.451 4.644 . 0 0 "[ . 1 . 2]" 1
161 1 11 LEU HG 1 15 LEU QD . . 3.860 1.887 1.878 1.937 . 0 0 "[ . 1 . 2]" 1
162 1 11 LEU HG 1 15 LEU HG . . 3.330 3.676 3.670 3.683 0.353 20 0 "[ . 1 . 2]" 1
163 1 11 LEU HG 1 34 LEU HB3 . . 5.500 4.903 4.803 4.956 . 0 0 "[ . 1 . 2]" 1
164 1 11 LEU HG 1 35 GLN QG . . 4.800 4.589 4.491 4.710 . 0 0 "[ . 1 . 2]" 1
165 1 11 LEU HG 1 39 TYR QD . . 4.860 4.671 4.647 4.720 . 0 0 "[ . 1 . 2]" 1
166 1 11 LEU HG 1 39 TYR QE . . 4.360 4.868 4.859 4.871 0.511 14 19 "[ ********-***+******]" 1
167 1 12 ILE H 1 12 ILE HB . . 3.660 3.615 3.613 3.616 . 0 0 "[ . 1 . 2]" 1
168 1 12 ILE H 1 12 ILE MD . . 3.840 3.773 3.724 3.842 0.002 13 0 "[ . 1 . 2]" 1
169 1 12 ILE H 1 12 ILE HG12 . . 3.430 3.147 3.005 3.222 . 0 0 "[ . 1 . 2]" 1
170 1 12 ILE H 1 12 ILE HG13 . . 3.190 2.208 2.153 2.281 . 0 0 "[ . 1 . 2]" 1
171 1 12 ILE H 1 12 ILE MG . . 3.450 2.179 2.084 2.275 . 0 0 "[ . 1 . 2]" 1
172 1 12 ILE H 1 13 GLU H . . 3.480 2.741 2.685 2.768 . 0 0 "[ . 1 . 2]" 1
173 1 12 ILE H 1 13 GLU HA . . 5.500 5.291 5.241 5.314 . 0 0 "[ . 1 . 2]" 1
174 1 12 ILE H 1 14 SER H . . 4.860 4.471 4.386 4.533 . 0 0 "[ . 1 . 2]" 1
175 1 12 ILE HA 1 12 ILE MD . . 3.940 3.721 3.649 3.803 . 0 0 "[ . 1 . 2]" 1
176 1 12 ILE HA 1 12 ILE HG13 . . 3.650 3.547 3.528 3.560 . 0 0 "[ . 1 . 2]" 1
177 1 12 ILE HA 1 12 ILE MG . . 3.190 2.345 2.287 2.388 . 0 0 "[ . 1 . 2]" 1
178 1 12 ILE HA 1 13 GLU HA . . 4.770 4.871 4.861 4.878 0.108 20 0 "[ . 1 . 2]" 1
179 1 12 ILE HA 1 14 SER H . . 4.880 4.058 3.977 4.159 . 0 0 "[ . 1 . 2]" 1
180 1 12 ILE HA 1 15 LEU H . . 4.200 3.263 3.205 3.339 . 0 0 "[ . 1 . 2]" 1
181 1 12 ILE HA 1 15 LEU HB3 . . 5.080 4.042 3.989 4.215 . 0 0 "[ . 1 . 2]" 1
182 1 12 ILE HA 1 15 LEU HG . . 4.270 4.035 4.008 4.052 . 0 0 "[ . 1 . 2]" 1
183 1 12 ILE HA 1 16 SER H . . 4.860 3.893 3.829 3.972 . 0 0 "[ . 1 . 2]" 1
184 1 12 ILE HB 1 12 ILE MD . . 2.730 2.074 2.007 2.156 . 0 0 "[ . 1 . 2]" 1
185 1 12 ILE HB 1 13 GLU H . . 3.880 3.889 3.881 3.896 0.016 2 0 "[ . 1 . 2]" 1
186 1 12 ILE HB 1 15 LEU QD . . 4.000 3.719 3.702 3.764 . 0 0 "[ . 1 . 2]" 1
187 1 12 ILE MD 1 13 GLU H . . 3.340 2.710 2.550 2.947 . 0 0 "[ . 1 . 2]" 1
188 1 12 ILE MD 1 13 GLU HA . . 3.260 2.615 2.411 2.879 . 0 0 "[ . 1 . 2]" 1
189 1 12 ILE MD 1 13 GLU QB . . 3.430 2.998 2.841 3.214 . 0 0 "[ . 1 . 2]" 1
190 1 12 ILE MD 1 13 GLU QG . . 4.470 3.897 3.669 4.113 . 0 0 "[ . 1 . 2]" 1
191 1 12 ILE HG12 1 12 ILE MG . . 2.710 1.967 1.957 1.991 . 0 0 "[ . 1 . 2]" 1
192 1 12 ILE HG12 1 13 GLU H . . 4.390 3.822 3.754 3.869 . 0 0 "[ . 1 . 2]" 1
193 1 12 ILE HG13 1 12 ILE MG . . 2.910 2.783 2.715 2.866 . 0 0 "[ . 1 . 2]" 1
194 1 12 ILE HG13 1 13 GLU H . . 4.160 2.106 2.008 2.179 . 0 0 "[ . 1 . 2]" 1
195 1 12 ILE HG13 1 13 GLU HA . . 4.780 3.975 3.829 4.066 . 0 0 "[ . 1 . 2]" 1
196 1 12 ILE MG 1 13 GLU H . . 3.990 3.986 3.956 3.998 0.008 18 0 "[ . 1 . 2]" 1
197 1 13 GLU H 1 13 GLU QB . . 3.370 2.576 2.511 2.633 . 0 0 "[ . 1 . 2]" 1
198 1 13 GLU H 1 13 GLU QG . . 4.300 2.074 2.040 2.107 . 0 0 "[ . 1 . 2]" 1
199 1 13 GLU H 1 15 LEU H . . 4.710 4.397 4.360 4.483 . 0 0 "[ . 1 . 2]" 1
200 1 13 GLU HA 1 13 GLU HG2 . . 3.980 3.986 3.785 4.178 0.198 5 0 "[ . 1 . 2]" 1
201 1 13 GLU HA 1 13 GLU QG . . 3.270 3.350 3.317 3.392 0.122 5 0 "[ . 1 . 2]" 1
202 1 13 GLU HA 1 13 GLU HG3 . . 3.980 3.617 3.555 3.668 . 0 0 "[ . 1 . 2]" 1
203 1 13 GLU HA 1 15 LEU H . . 4.930 4.918 4.879 4.988 0.058 8 0 "[ . 1 . 2]" 1
204 1 13 GLU QB 1 14 SER H . . 3.420 3.366 3.344 3.396 . 0 0 "[ . 1 . 2]" 1
205 1 13 GLU QB 1 14 SER HA . . 4.540 4.216 4.169 4.272 . 0 0 "[ . 1 . 2]" 1
206 1 13 GLU QB 1 15 LEU H . . 5.480 5.369 5.335 5.446 . 0 0 "[ . 1 . 2]" 1
207 1 13 GLU QG 1 14 SER H . . 4.050 1.944 1.934 1.973 . 0 0 "[ . 1 . 2]" 1
208 1 13 GLU QG 1 14 SER HA . . 4.460 4.003 3.780 4.176 . 0 0 "[ . 1 . 2]" 1
209 1 13 GLU QG 1 17 GLN QG . . 5.180 5.436 5.279 5.608 0.428 1 0 "[ . 1 . 2]" 1
210 1 14 SER H 1 14 SER HB2 . . 3.550 2.339 2.177 2.398 . 0 0 "[ . 1 . 2]" 1
211 1 14 SER H 1 15 LEU H . . 3.460 2.580 2.530 2.633 . 0 0 "[ . 1 . 2]" 1
212 1 14 SER H 1 15 LEU HB2 . . 4.880 4.525 4.460 4.623 . 0 0 "[ . 1 . 2]" 1
213 1 14 SER H 1 15 LEU QD . . 4.430 3.941 3.865 4.004 . 0 0 "[ . 1 . 2]" 1
214 1 14 SER H 1 34 LEU QD . . 5.330 4.514 4.498 4.524 . 0 0 "[ . 1 . 2]" 1
215 1 14 SER H 1 39 TYR QB . . 4.790 4.040 3.924 4.147 . 0 0 "[ . 1 . 2]" 1
216 1 14 SER H 1 39 TYR QD . . 5.190 4.998 4.939 5.081 . 0 0 "[ . 1 . 2]" 1
217 1 14 SER HA 1 17 GLN H . . 4.130 3.540 3.520 3.580 . 0 0 "[ . 1 . 2]" 1
218 1 14 SER HA 1 17 GLN HB2 . . 4.630 3.669 3.606 3.873 . 0 0 "[ . 1 . 2]" 1
219 1 14 SER HA 1 17 GLN HG2 . . 4.550 3.934 3.851 4.018 . 0 0 "[ . 1 . 2]" 1
220 1 14 SER HA 1 17 GLN QG . . 3.810 2.439 2.372 2.529 . 0 0 "[ . 1 . 2]" 1
221 1 14 SER HA 1 17 GLN HG3 . . 4.550 2.463 2.393 2.556 . 0 0 "[ . 1 . 2]" 1
222 1 14 SER HA 1 34 LEU QD . . 4.480 3.948 3.916 3.990 . 0 0 "[ . 1 . 2]" 1
223 1 14 SER HA 1 41 ILE MD . . 3.880 1.887 1.883 1.892 . 0 0 "[ . 1 . 2]" 1
224 1 14 SER HA 1 41 ILE QG . . 4.350 3.725 3.675 3.785 . 0 0 "[ . 1 . 2]" 1
225 1 14 SER HB2 1 15 LEU H . . 3.810 2.493 2.373 2.674 . 0 0 "[ . 1 . 2]" 1
226 1 14 SER HB2 1 15 LEU HA . . 4.410 4.390 4.288 4.683 0.273 19 0 "[ . 1 . 2]" 1
227 1 14 SER HB2 1 15 LEU HB2 . . 5.500 4.870 4.817 5.067 . 0 0 "[ . 1 . 2]" 1
228 1 14 SER HB2 1 15 LEU HG . . 4.010 3.885 3.649 4.184 0.174 18 0 "[ . 1 . 2]" 1
229 1 14 SER HB2 1 34 LEU QD . . 3.980 2.841 2.792 2.975 . 0 0 "[ . 1 . 2]" 1
230 1 14 SER HB2 1 34 LEU HG . . 5.500 2.055 1.992 2.308 . 0 0 "[ . 1 . 2]" 1
231 1 14 SER HB2 1 41 ILE MD . . 3.940 3.576 3.498 3.697 . 0 0 "[ . 1 . 2]" 1
232 1 14 SER HB3 1 34 LEU QD . . 3.750 1.956 1.922 2.060 . 0 0 "[ . 1 . 2]" 1
233 1 14 SER HB3 1 41 ILE HA . . 5.040 4.221 4.105 4.494 . 0 0 "[ . 1 . 2]" 1
234 1 14 SER HB3 1 41 ILE MD . . 3.760 2.470 2.373 2.723 . 0 0 "[ . 1 . 2]" 1
235 1 14 SER HB3 1 41 ILE MG . . 5.150 4.536 4.359 4.694 . 0 0 "[ . 1 . 2]" 1
236 1 15 LEU H 1 15 LEU HB2 . . 3.240 2.440 2.420 2.509 . 0 0 "[ . 1 . 2]" 1
237 1 15 LEU H 1 15 LEU HB3 . . 3.680 3.583 3.580 3.590 . 0 0 "[ . 1 . 2]" 1
238 1 15 LEU H 1 15 LEU QD . . 4.080 2.600 2.549 2.623 . 0 0 "[ . 1 . 2]" 1
239 1 15 LEU H 1 15 LEU HG . . 4.050 2.577 2.447 2.610 . 0 0 "[ . 1 . 2]" 1
240 1 15 LEU H 1 16 SER H . . 3.650 2.859 2.837 2.875 . 0 0 "[ . 1 . 2]" 1
241 1 15 LEU H 1 17 GLN H . . 4.920 4.247 4.200 4.368 . 0 0 "[ . 1 . 2]" 1
242 1 15 LEU H 1 34 LEU QD . . 4.090 3.705 3.698 3.715 . 0 0 "[ . 1 . 2]" 1
243 1 15 LEU HA 1 15 LEU QD . . 3.300 2.800 2.784 2.820 . 0 0 "[ . 1 . 2]" 1
244 1 15 LEU HA 1 15 LEU HG . . 3.570 2.491 2.477 2.547 . 0 0 "[ . 1 . 2]" 1
245 1 15 LEU HA 1 17 GLN H . . 4.670 3.950 3.858 4.061 . 0 0 "[ . 1 . 2]" 1
246 1 15 LEU HA 1 18 MET H . . 4.080 3.074 3.024 3.103 . 0 0 "[ . 1 . 2]" 1
247 1 15 LEU HA 1 18 MET HB2 . . 4.370 2.592 2.509 2.633 . 0 0 "[ . 1 . 2]" 1
248 1 15 LEU HA 1 19 LEU H . . 4.920 3.493 3.347 3.609 . 0 0 "[ . 1 . 2]" 1
249 1 15 LEU HA 1 19 LEU HG . . 4.110 3.431 3.264 3.615 . 0 0 "[ . 1 . 2]" 1
250 1 15 LEU HA 1 30 LEU QD . . 4.540 2.251 2.173 2.300 . 0 0 "[ . 1 . 2]" 1
251 1 15 LEU HA 1 34 LEU QD . . 3.480 3.274 3.238 3.350 . 0 0 "[ . 1 . 2]" 1
252 1 15 LEU HB2 1 15 LEU QD . . 2.930 2.080 2.063 2.090 . 0 0 "[ . 1 . 2]" 1
253 1 15 LEU HB2 1 15 LEU HG . . 2.830 2.781 2.775 2.789 . 0 0 "[ . 1 . 2]" 1
254 1 15 LEU HB2 1 16 SER H . . 3.590 2.614 2.586 2.674 . 0 0 "[ . 1 . 2]" 1
255 1 15 LEU HB2 1 17 GLN H . . 5.310 4.937 4.894 5.056 . 0 0 "[ . 1 . 2]" 1
256 1 15 LEU HB2 1 18 MET H . . 5.370 5.374 5.338 5.388 0.018 14 0 "[ . 1 . 2]" 1
257 1 15 LEU HB2 1 19 LEU QD . . 3.780 3.450 3.085 3.563 . 0 0 "[ . 1 . 2]" 1
258 1 15 LEU HB3 1 16 SER H . . 4.080 3.498 3.442 3.638 . 0 0 "[ . 1 . 2]" 1
259 1 15 LEU HB3 1 16 SER HA . . 4.810 4.264 4.225 4.375 . 0 0 "[ . 1 . 2]" 1
260 1 15 LEU HB3 1 30 LEU HB3 . . 5.500 5.052 4.956 5.114 . 0 0 "[ . 1 . 2]" 1
261 1 15 LEU QD 1 16 SER H . . 4.180 3.909 3.896 3.926 . 0 0 "[ . 1 . 2]" 1
262 1 15 LEU QD 1 18 MET H . . 4.950 4.996 4.968 5.048 0.098 8 0 "[ . 1 . 2]" 1
263 1 15 LEU QD 1 18 MET HB3 . . 5.170 4.847 4.787 4.872 . 0 0 "[ . 1 . 2]" 1
264 1 15 LEU QD 1 18 MET HG3 . . 4.280 4.015 3.953 4.048 . 0 0 "[ . 1 . 2]" 1
265 1 15 LEU QD 1 19 LEU H . . 4.590 4.313 4.188 4.516 . 0 0 "[ . 1 . 2]" 1
266 1 15 LEU QD 1 23 PHE HB2 . . 5.490 5.551 5.543 5.570 0.080 15 0 "[ . 1 . 2]" 1
267 1 15 LEU QD 1 25 ASP HB3 . . 4.490 2.909 2.650 3.915 . 0 0 "[ . 1 . 2]" 1
268 1 15 LEU QD 1 30 LEU HA . . 4.820 3.778 3.771 3.796 . 0 0 "[ . 1 . 2]" 1
269 1 15 LEU QD 1 30 LEU HB2 . . 4.970 3.449 3.436 3.500 . 0 0 "[ . 1 . 2]" 1
270 1 15 LEU QD 1 30 LEU QD . . 3.270 1.847 1.837 1.886 . 0 0 "[ . 1 . 2]" 1
271 1 15 LEU QD 1 31 THR H . . 4.350 3.999 3.969 4.011 . 0 0 "[ . 1 . 2]" 1
272 1 15 LEU QD 1 31 THR HB . . 3.550 3.798 3.791 3.807 0.257 20 0 "[ . 1 . 2]" 1
273 1 15 LEU QD 1 31 THR MG . . 4.530 4.459 4.452 4.484 . 0 0 "[ . 1 . 2]" 1
274 1 15 LEU QD 1 32 ARG H . . 5.500 4.976 4.935 4.995 . 0 0 "[ . 1 . 2]" 1
275 1 15 LEU HG 1 16 SER H . . 4.800 4.652 4.601 4.668 . 0 0 "[ . 1 . 2]" 1
276 1 15 LEU HG 1 18 MET HG3 . . 4.910 3.953 3.888 4.014 . 0 0 "[ . 1 . 2]" 1
277 1 15 LEU HG 1 30 LEU QD . . 4.430 2.956 2.902 2.989 . 0 0 "[ . 1 . 2]" 1
278 1 15 LEU HG 1 34 LEU HB2 . . 4.860 4.379 4.319 4.428 . 0 0 "[ . 1 . 2]" 1
279 1 16 SER H 1 16 SER QB . . 3.040 2.183 2.063 2.381 . 0 0 "[ . 1 . 2]" 1
280 1 16 SER H 1 17 GLN HG2 . . 5.050 4.573 4.459 4.648 . 0 0 "[ . 1 . 2]" 1
281 1 16 SER H 1 17 GLN QG . . 4.330 4.133 4.087 4.168 . 0 0 "[ . 1 . 2]" 1
282 1 16 SER H 1 17 GLN HG3 . . 5.050 4.718 4.662 4.751 . 0 0 "[ . 1 . 2]" 1
283 1 16 SER H 1 19 LEU QD . . 5.410 4.169 3.688 4.440 . 0 0 "[ . 1 . 2]" 1
284 1 16 SER H 1 19 LEU HG . . 5.090 4.789 4.686 4.963 . 0 0 "[ . 1 . 2]" 1
285 1 16 SER H 1 41 ILE MD . . 5.160 5.189 5.056 5.252 0.092 14 0 "[ . 1 . 2]" 1
286 1 16 SER HA 1 19 LEU H . . 4.060 4.118 3.994 4.259 0.199 20 0 "[ . 1 . 2]" 1
287 1 16 SER HA 1 19 LEU HB2 . . 4.020 3.401 3.292 3.543 . 0 0 "[ . 1 . 2]" 1
288 1 16 SER HA 1 19 LEU HB3 . . 5.500 5.082 4.954 5.246 . 0 0 "[ . 1 . 2]" 1
289 1 16 SER HA 1 19 LEU QD . . 3.580 3.233 2.483 3.564 . 0 0 "[ . 1 . 2]" 1
290 1 16 SER HA 1 19 LEU HG . . 3.960 4.059 3.964 4.171 0.211 15 0 "[ . 1 . 2]" 1
291 1 16 SER QB 1 17 GLN H . . 3.380 2.808 2.725 2.902 . 0 0 "[ . 1 . 2]" 1
292 1 16 SER QB 1 17 GLN QG . . 4.230 2.992 2.815 3.215 . 0 0 "[ . 1 . 2]" 1
293 1 17 GLN H 1 17 GLN HB2 . . 3.490 2.675 2.661 2.704 . 0 0 "[ . 1 . 2]" 1
294 1 17 GLN H 1 17 GLN HB3 . . 3.830 3.620 3.605 3.639 . 0 0 "[ . 1 . 2]" 1
295 1 17 GLN H 1 17 GLN HG2 . . 3.750 2.407 2.350 2.456 . 0 0 "[ . 1 . 2]" 1
296 1 17 GLN H 1 17 GLN QG . . 3.210 2.235 2.173 2.260 . 0 0 "[ . 1 . 2]" 1
297 1 17 GLN H 1 17 GLN HG3 . . 3.750 2.656 2.550 2.749 . 0 0 "[ . 1 . 2]" 1
298 1 17 GLN H 1 18 MET H . . 3.510 2.418 2.344 2.472 . 0 0 "[ . 1 . 2]" 1
299 1 17 GLN H 1 18 MET HB2 . . 4.960 4.746 4.680 4.794 . 0 0 "[ . 1 . 2]" 1
300 1 17 GLN H 1 18 MET HG2 . . 4.270 4.101 4.039 4.140 . 0 0 "[ . 1 . 2]" 1
301 1 17 GLN H 1 19 LEU H . . 5.000 4.299 4.135 4.371 . 0 0 "[ . 1 . 2]" 1
302 1 17 GLN H 1 41 ILE MD . . 4.300 3.736 3.587 3.895 . 0 0 "[ . 1 . 2]" 1
303 1 17 GLN H 1 41 ILE MG . . 4.270 4.356 4.345 4.372 0.102 11 0 "[ . 1 . 2]" 1
304 1 17 GLN HA 1 17 GLN QG . . 3.420 2.589 2.567 2.620 . 0 0 "[ . 1 . 2]" 1
305 1 17 GLN HA 1 21 MET ME . . 3.900 3.727 3.580 3.818 . 0 0 "[ . 1 . 2]" 1
306 1 17 GLN HA 1 41 ILE MG . . 4.100 4.283 4.246 4.354 0.254 13 0 "[ . 1 . 2]" 1
307 1 17 GLN HB2 1 18 MET H . . 3.700 2.650 2.621 2.715 . 0 0 "[ . 1 . 2]" 1
308 1 17 GLN HB2 1 19 LEU H . . 5.500 5.336 5.225 5.441 . 0 0 "[ . 1 . 2]" 1
309 1 17 GLN HB2 1 34 LEU QD . . 4.490 4.898 4.845 5.028 0.538 1 2 "[+ . - 1 . 2]" 1
310 1 17 GLN HB2 1 41 ILE MD . . 4.320 2.273 2.125 2.521 . 0 0 "[ . 1 . 2]" 1
311 1 17 GLN HB2 1 41 ILE MG . . 3.350 1.971 1.965 1.990 . 0 0 "[ . 1 . 2]" 1
312 1 17 GLN HB3 1 41 ILE MG . . 3.130 2.382 2.327 2.489 . 0 0 "[ . 1 . 2]" 1
313 1 17 GLN QG 1 18 MET HG2 . . 5.340 4.533 4.509 4.559 . 0 0 "[ . 1 . 2]" 1
314 1 17 GLN QG 1 41 ILE MD . . 4.000 2.209 1.969 2.388 . 0 0 "[ . 1 . 2]" 1
315 1 17 GLN QG 1 41 ILE MG . . 3.490 3.010 2.919 3.068 . 0 0 "[ . 1 . 2]" 1
316 1 17 GLN HG2 1 41 ILE MD . . 4.590 3.702 3.486 3.890 . 0 0 "[ . 1 . 2]" 1
317 1 17 GLN HG2 1 41 ILE MG . . 4.070 4.071 3.976 4.097 0.027 19 0 "[ . 1 . 2]" 1
318 1 17 GLN HG3 1 41 ILE MD . . 4.590 2.226 1.980 2.410 . 0 0 "[ . 1 . 2]" 1
319 1 17 GLN HG3 1 41 ILE MG . . 4.070 3.101 3.004 3.171 . 0 0 "[ . 1 . 2]" 1
320 1 18 MET H 1 18 MET HB2 . . 3.690 2.618 2.594 2.631 . 0 0 "[ . 1 . 2]" 1
321 1 18 MET H 1 18 MET HB3 . . 3.660 3.592 3.590 3.594 . 0 0 "[ . 1 . 2]" 1
322 1 18 MET H 1 18 MET ME . . 4.270 3.843 3.818 3.894 . 0 0 "[ . 1 . 2]" 1
323 1 18 MET H 1 18 MET HG2 . . 3.660 2.159 2.129 2.193 . 0 0 "[ . 1 . 2]" 1
324 1 18 MET H 1 18 MET HG3 . . 3.630 2.913 2.887 2.999 . 0 0 "[ . 1 . 2]" 1
325 1 18 MET H 1 19 LEU H . . 3.860 2.782 2.717 2.805 . 0 0 "[ . 1 . 2]" 1
326 1 18 MET H 1 19 LEU HA . . 5.500 5.342 5.307 5.354 . 0 0 "[ . 1 . 2]" 1
327 1 18 MET H 1 19 LEU QD . . 4.520 4.577 4.470 4.615 0.095 19 0 "[ . 1 . 2]" 1
328 1 18 MET H 1 20 SER H . . 4.290 3.872 3.799 4.021 . 0 0 "[ . 1 . 2]" 1
329 1 18 MET H 1 21 MET ME . . 3.590 3.387 3.376 3.399 . 0 0 "[ . 1 . 2]" 1
330 1 18 MET H 1 30 LEU QD . . 4.430 3.836 3.798 3.878 . 0 0 "[ . 1 . 2]" 1
331 1 18 MET H 1 34 LEU QD . . 4.820 4.589 4.550 4.711 . 0 0 "[ . 1 . 2]" 1
332 1 18 MET H 1 41 ILE MD . . 4.270 3.965 3.890 4.066 . 0 0 "[ . 1 . 2]" 1
333 1 18 MET H 1 41 ILE MG . . 3.880 3.978 3.949 4.064 0.184 8 0 "[ . 1 . 2]" 1
334 1 18 MET HA 1 18 MET ME . . 3.410 1.965 1.936 2.122 . 0 0 "[ . 1 . 2]" 1
335 1 18 MET HA 1 18 MET HG2 . . 3.950 2.674 2.660 2.687 . 0 0 "[ . 1 . 2]" 1
336 1 18 MET HA 1 18 MET HG3 . . 4.040 3.809 3.802 3.813 . 0 0 "[ . 1 . 2]" 1
337 1 18 MET HA 1 21 MET H . . 4.070 3.290 3.277 3.325 . 0 0 "[ . 1 . 2]" 1
338 1 18 MET HA 1 21 MET HA . . 5.500 5.253 5.245 5.276 . 0 0 "[ . 1 . 2]" 1
339 1 18 MET HA 1 21 MET ME . . 2.730 1.924 1.908 1.943 . 0 0 "[ . 1 . 2]" 1
340 1 18 MET HA 1 22 GLY H . . 4.180 4.123 4.044 4.244 0.064 1 0 "[ . 1 . 2]" 1
341 1 18 MET HA 1 23 PHE H . . 5.050 4.731 4.632 4.760 . 0 0 "[ . 1 . 2]" 1
342 1 18 MET HA 1 23 PHE HB2 . . 4.460 3.513 3.366 3.592 . 0 0 "[ . 1 . 2]" 1
343 1 18 MET HA 1 23 PHE QD . . 4.200 2.698 2.547 2.755 . 0 0 "[ . 1 . 2]" 1
344 1 18 MET HA 1 30 LEU QD . . 4.550 3.970 3.922 4.010 . 0 0 "[ . 1 . 2]" 1
345 1 18 MET HA 1 34 LEU QD . . 5.500 5.302 5.242 5.472 . 0 0 "[ . 1 . 2]" 1
346 1 18 MET HA 1 41 ILE MG . . 3.910 4.107 4.060 4.261 0.351 8 0 "[ . 1 . 2]" 1
347 1 18 MET HA 1 44 ALA MB . . 5.280 5.479 5.328 5.564 0.284 19 0 "[ . 1 . 2]" 1
348 1 18 MET HB2 1 18 MET ME . . 4.690 3.432 3.396 3.446 . 0 0 "[ . 1 . 2]" 1
349 1 18 MET HB2 1 19 LEU H . . 4.110 2.206 2.127 2.360 . 0 0 "[ . 1 . 2]" 1
350 1 18 MET HB2 1 30 LEU QD . . 4.070 1.970 1.929 2.032 . 0 0 "[ . 1 . 2]" 1
351 1 18 MET HB3 1 18 MET ME . . 2.720 2.117 1.967 2.142 . 0 0 "[ . 1 . 2]" 1
352 1 18 MET HB3 1 23 PHE H . . 4.970 4.694 4.536 4.721 . 0 0 "[ . 1 . 2]" 1
353 1 18 MET HB3 1 23 PHE QD . . 4.810 3.123 3.030 3.204 . 0 0 "[ . 1 . 2]" 1
354 1 18 MET HB3 1 30 LEU QD . . 3.790 2.202 2.147 2.251 . 0 0 "[ . 1 . 2]" 1
355 1 18 MET HB3 1 34 LEU QD . . 5.380 4.323 4.231 4.507 . 0 0 "[ . 1 . 2]" 1
356 1 18 MET ME 1 18 MET HG2 . . 3.520 2.563 2.545 2.631 . 0 0 "[ . 1 . 2]" 1
357 1 18 MET ME 1 18 MET HG3 . . 3.070 3.380 3.376 3.395 0.325 8 0 "[ . 1 . 2]" 1
358 1 18 MET ME 1 19 LEU H . . 5.070 4.676 4.653 4.737 . 0 0 "[ . 1 . 2]" 1
359 1 18 MET ME 1 21 MET H . . 5.410 4.710 4.593 4.743 . 0 0 "[ . 1 . 2]" 1
360 1 18 MET ME 1 21 MET ME . . 2.930 1.850 1.799 1.901 . 0 0 "[ . 1 . 2]" 1
361 1 18 MET ME 1 23 PHE H . . 5.320 4.987 4.873 5.011 . 0 0 "[ . 1 . 2]" 1
362 1 18 MET ME 1 23 PHE HB2 . . 3.390 3.143 3.016 3.255 . 0 0 "[ . 1 . 2]" 1
363 1 18 MET ME 1 23 PHE HB3 . . 3.870 3.676 3.494 3.869 . 0 0 "[ . 1 . 2]" 1
364 1 18 MET ME 1 23 PHE QD . . 3.280 2.584 2.425 2.648 . 0 0 "[ . 1 . 2]" 1
365 1 18 MET ME 1 23 PHE QE . . 3.300 2.859 2.760 2.965 . 0 0 "[ . 1 . 2]" 1
366 1 18 MET ME 1 23 PHE HZ . . 4.250 3.632 3.561 3.780 . 0 0 "[ . 1 . 2]" 1
367 1 18 MET ME 1 24 SER H . . 5.500 5.488 5.317 5.527 0.027 1 0 "[ . 1 . 2]" 1
368 1 18 MET ME 1 29 TRP HH2 . . 4.260 3.415 3.314 3.706 . 0 0 "[ . 1 . 2]" 1
369 1 18 MET ME 1 29 TRP HZ2 . . 5.120 4.754 4.651 4.994 . 0 0 "[ . 1 . 2]" 1
370 1 18 MET ME 1 30 LEU QD . . 2.790 2.968 2.901 3.156 0.366 1 0 "[ . 1 . 2]" 1
371 1 18 MET ME 1 34 LEU QD . . 3.610 3.915 3.843 4.124 0.514 1 1 "[+ . 1 . 2]" 1
372 1 18 MET ME 1 41 ILE H . . 5.490 6.618 6.506 6.694 1.204 12 20 [-**********+********] 1
373 1 18 MET ME 1 41 ILE HA . . 3.780 4.205 4.057 4.283 0.503 12 1 "[ . 1 + . 2]" 1
374 1 18 MET ME 1 44 ALA MB . . 2.670 3.028 3.017 3.038 0.368 1 0 "[ . 1 . 2]" 1
375 1 18 MET ME 1 45 LEU H . . 3.770 3.773 3.714 3.792 0.022 1 0 "[ . 1 . 2]" 1
376 1 18 MET ME 1 45 LEU HA . . 3.780 2.405 2.353 2.497 . 0 0 "[ . 1 . 2]" 1
377 1 18 MET HG2 1 19 LEU H . . 4.740 4.216 4.203 4.233 . 0 0 "[ . 1 . 2]" 1
378 1 18 MET HG2 1 23 PHE QD . . 5.500 4.969 4.833 5.040 . 0 0 "[ . 1 . 2]" 1
379 1 18 MET HG2 1 30 LEU QD . . 4.190 3.401 3.292 3.456 . 0 0 "[ . 1 . 2]" 1
380 1 18 MET HG2 1 34 LEU QD . . 4.040 3.440 3.390 3.607 . 0 0 "[ . 1 . 2]" 1
381 1 18 MET HG2 1 41 ILE MD . . 3.640 3.435 3.396 3.526 . 0 0 "[ . 1 . 2]" 1
382 1 18 MET HG2 1 41 ILE MG . . 3.800 3.267 3.169 3.478 . 0 0 "[ . 1 . 2]" 1
383 1 18 MET HG2 1 44 ALA MB . . 5.160 4.018 3.838 4.175 . 0 0 "[ . 1 . 2]" 1
384 1 18 MET HG3 1 19 LEU H . . 4.720 4.140 4.084 4.268 . 0 0 "[ . 1 . 2]" 1
385 1 18 MET HG3 1 30 LEU QD . . 3.990 2.350 2.198 2.421 . 0 0 "[ . 1 . 2]" 1
386 1 18 MET HG3 1 30 LEU HG . . 3.620 3.438 3.398 3.492 . 0 0 "[ . 1 . 2]" 1
387 1 18 MET HG3 1 34 LEU QD . . 3.790 2.615 2.576 2.698 . 0 0 "[ . 1 . 2]" 1
388 1 18 MET HG3 1 41 ILE HA . . 4.880 5.094 5.004 5.194 0.314 8 0 "[ . 1 . 2]" 1
389 1 18 MET HG3 1 41 ILE MD . . 4.900 4.192 4.116 4.323 . 0 0 "[ . 1 . 2]" 1
390 1 18 MET HG3 1 44 ALA MB . . 4.290 3.946 3.752 4.066 . 0 0 "[ . 1 . 2]" 1
391 1 19 LEU H 1 19 LEU HB2 . . 3.070 2.678 2.653 2.697 . 0 0 "[ . 1 . 2]" 1
392 1 19 LEU H 1 19 LEU HB3 . . 3.740 3.576 3.573 3.579 . 0 0 "[ . 1 . 2]" 1
393 1 19 LEU H 1 19 LEU QD . . 3.650 2.795 2.702 2.954 . 0 0 "[ . 1 . 2]" 1
394 1 19 LEU H 1 19 LEU HG . . 3.570 1.961 1.935 1.994 . 0 0 "[ . 1 . 2]" 1
395 1 19 LEU H 1 20 SER H . . 3.590 2.726 2.644 2.762 . 0 0 "[ . 1 . 2]" 1
396 1 19 LEU H 1 20 SER QB . . 4.540 4.533 4.454 4.554 0.014 11 0 "[ . 1 . 2]" 1
397 1 19 LEU H 1 30 LEU QD . . 4.690 3.173 3.013 3.459 . 0 0 "[ . 1 . 2]" 1
398 1 19 LEU HA 1 19 LEU QD . . 3.000 2.195 1.997 2.554 . 0 0 "[ . 1 . 2]" 1
399 1 19 LEU HA 1 19 LEU HG . . 3.620 3.219 3.018 3.318 . 0 0 "[ . 1 . 2]" 1
400 1 19 LEU HA 1 21 MET H . . 4.550 4.199 4.145 4.254 . 0 0 "[ . 1 . 2]" 1
401 1 19 LEU HA 1 22 GLY H . . 4.100 3.548 3.482 3.602 . 0 0 "[ . 1 . 2]" 1
402 1 19 LEU HA 1 23 PHE H . . 4.230 2.421 2.361 2.482 . 0 0 "[ . 1 . 2]" 1
403 1 19 LEU HA 1 30 LEU QD . . 4.880 3.972 3.805 4.279 . 0 0 "[ . 1 . 2]" 1
404 1 19 LEU HB2 1 19 LEU QD . . 2.750 2.192 2.013 2.293 . 0 0 "[ . 1 . 2]" 1
405 1 19 LEU HB2 1 19 LEU HG . . 2.770 2.486 2.425 2.610 . 0 0 "[ . 1 . 2]" 1
406 1 19 LEU HB2 1 20 SER H . . 3.370 2.756 2.628 2.829 . 0 0 "[ . 1 . 2]" 1
407 1 19 LEU HB2 1 20 SER HA . . 4.290 4.212 4.190 4.235 . 0 0 "[ . 1 . 2]" 1
408 1 19 LEU HB2 1 20 SER QB . . 4.010 3.914 3.855 3.957 . 0 0 "[ . 1 . 2]" 1
409 1 19 LEU HB3 1 19 LEU QD . . 3.170 2.077 1.975 2.136 . 0 0 "[ . 1 . 2]" 1
410 1 19 LEU HB3 1 20 SER H . . 4.270 3.907 3.795 3.967 . 0 0 "[ . 1 . 2]" 1
411 1 19 LEU HB3 1 20 SER HA . . 4.890 4.638 4.569 4.677 . 0 0 "[ . 1 . 2]" 1
412 1 19 LEU HB3 1 20 SER QB . . 5.500 5.039 4.987 5.067 . 0 0 "[ . 1 . 2]" 1
413 1 19 LEU HB3 1 23 PHE H . . 5.060 4.601 4.542 4.667 . 0 0 "[ . 1 . 2]" 1
414 1 19 LEU QD 1 20 SER H . . 4.170 4.051 3.931 4.103 . 0 0 "[ . 1 . 2]" 1
415 1 19 LEU QD 1 20 SER HA . . 5.350 5.172 5.111 5.203 . 0 0 "[ . 1 . 2]" 1
416 1 19 LEU QD 1 21 MET H . . 5.500 5.224 5.133 5.341 . 0 0 "[ . 1 . 2]" 1
417 1 19 LEU QD 1 22 GLY H . . 4.990 5.002 4.863 5.275 0.285 14 0 "[ . 1 . 2]" 1
418 1 19 LEU QD 1 23 PHE H . . 3.950 3.840 3.673 4.189 0.239 14 0 "[ . 1 . 2]" 1
419 1 19 LEU QD 1 23 PHE HA . . 4.810 4.558 4.390 4.885 0.075 14 0 "[ . 1 . 2]" 1
420 1 19 LEU QD 1 23 PHE HB2 . . 3.940 3.397 3.090 3.948 0.008 8 0 "[ . 1 . 2]" 1
421 1 19 LEU QD 1 23 PHE QD . . 5.500 4.819 4.615 5.209 . 0 0 "[ . 1 . 2]" 1
422 1 19 LEU QD 1 24 SER H . . 4.390 3.542 3.356 3.823 . 0 0 "[ . 1 . 2]" 1
423 1 19 LEU QD 1 24 SER HA . . 3.420 1.904 1.893 1.956 . 0 0 "[ . 1 . 2]" 1
424 1 19 LEU QD 1 24 SER HB2 . . 4.290 4.140 3.917 4.304 0.014 8 0 "[ . 1 . 2]" 1
425 1 19 LEU QD 1 24 SER HB3 . . 4.290 3.869 3.402 4.317 0.027 14 0 "[ . 1 . 2]" 1
426 1 19 LEU QD 1 25 ASP H . . 3.720 3.390 3.305 3.498 . 0 0 "[ . 1 . 2]" 1
427 1 19 LEU QD 1 25 ASP HB2 . . 4.620 4.424 3.297 4.901 0.281 1 0 "[ . 1 . 2]" 1
428 1 19 LEU QD 1 25 ASP HB3 . . 3.590 3.209 2.915 4.056 0.466 11 0 "[ . 1 . 2]" 1
429 1 19 LEU QD 1 30 LEU QD . . 3.540 2.133 1.849 2.727 . 0 0 "[ . 1 . 2]" 1
430 1 19 LEU HG 1 20 SER H . . 4.160 4.142 4.117 4.184 0.024 14 0 "[ . 1 . 2]" 1
431 1 19 LEU HG 1 30 LEU QD . . 4.450 2.805 2.638 3.101 . 0 0 "[ . 1 . 2]" 1
432 1 20 SER H 1 20 SER QB . . 2.940 2.290 2.249 2.309 . 0 0 "[ . 1 . 2]" 1
433 1 20 SER H 1 21 MET H . . 3.640 2.392 2.336 2.464 . 0 0 "[ . 1 . 2]" 1
434 1 20 SER H 1 21 MET HA . . 5.170 5.044 4.993 5.108 . 0 0 "[ . 1 . 2]" 1
435 1 20 SER H 1 22 GLY H . . 4.270 3.954 3.911 3.986 . 0 0 "[ . 1 . 2]" 1
436 1 20 SER H 1 23 PHE H . . 4.990 4.679 4.539 4.728 . 0 0 "[ . 1 . 2]" 1
437 1 20 SER HA 1 21 MET HA . . 4.910 4.710 4.695 4.723 . 0 0 "[ . 1 . 2]" 1
438 1 20 SER HA 1 22 GLY H . . 4.830 4.221 4.065 4.313 . 0 0 "[ . 1 . 2]" 1
439 1 20 SER QB 1 21 MET H . . 3.980 2.882 2.820 2.952 . 0 0 "[ . 1 . 2]" 1
440 1 20 SER QB 1 21 MET HG3 . . 4.250 3.941 3.754 4.123 . 0 0 "[ . 1 . 2]" 1
441 1 20 SER QB 1 22 GLY H . . 5.180 4.795 4.654 4.845 . 0 0 "[ . 1 . 2]" 1
442 1 21 MET H 1 21 MET HB2 . . 3.970 2.150 2.125 2.166 . 0 0 "[ . 1 . 2]" 1
443 1 21 MET H 1 21 MET QB . . 3.490 2.129 2.104 2.146 . 0 0 "[ . 1 . 2]" 1
444 1 21 MET H 1 21 MET HB3 . . 3.970 3.440 3.398 3.467 . 0 0 "[ . 1 . 2]" 1
445 1 21 MET H 1 21 MET ME . . 4.280 3.520 3.468 3.620 . 0 0 "[ . 1 . 2]" 1
446 1 21 MET H 1 21 MET HG2 . . 4.290 4.150 4.071 4.244 . 0 0 "[ . 1 . 2]" 1
447 1 21 MET H 1 21 MET HG3 . . 3.730 3.205 3.101 3.318 . 0 0 "[ . 1 . 2]" 1
448 1 21 MET H 1 22 GLY H . . 3.490 2.411 2.371 2.443 . 0 0 "[ . 1 . 2]" 1
449 1 21 MET H 1 23 PHE H . . 4.160 4.017 3.862 4.130 . 0 0 "[ . 1 . 2]" 1
450 1 21 MET H 1 45 LEU QD . . 5.500 5.207 5.073 5.283 . 0 0 "[ . 1 . 2]" 1
451 1 21 MET HA 1 21 MET HG2 . . 4.000 2.370 2.336 2.409 . 0 0 "[ . 1 . 2]" 1
452 1 21 MET HA 1 21 MET HG3 . . 4.070 2.731 2.641 2.792 . 0 0 "[ . 1 . 2]" 1
453 1 21 MET HA 1 45 LEU QD . . 4.910 5.073 4.958 5.145 0.235 16 0 "[ . 1 . 2]" 1
454 1 21 MET QB 1 21 MET ME . . 4.310 1.924 1.897 2.090 . 0 0 "[ . 1 . 2]" 1
455 1 21 MET QB 1 23 PHE H . . 4.600 4.304 4.145 4.393 . 0 0 "[ . 1 . 2]" 1
456 1 21 MET QB 1 45 LEU QD . . 3.870 2.932 2.821 2.999 . 0 0 "[ . 1 . 2]" 1
457 1 21 MET HB2 1 22 GLY H . . 4.590 3.086 3.015 3.239 . 0 0 "[ . 1 . 2]" 1
458 1 21 MET HB2 1 23 PHE QD . . 5.100 2.849 2.746 2.912 . 0 0 "[ . 1 . 2]" 1
459 1 21 MET HB2 1 45 LEU QD . . 4.540 3.525 3.390 3.612 . 0 0 "[ . 1 . 2]" 1
460 1 21 MET HB3 1 22 GLY H . . 4.590 3.445 3.390 3.605 . 0 0 "[ . 1 . 2]" 1
461 1 21 MET HB3 1 23 PHE QD . . 5.100 3.117 2.856 3.198 . 0 0 "[ . 1 . 2]" 1
462 1 21 MET HB3 1 45 LEU QD . . 4.540 3.136 3.015 3.213 . 0 0 "[ . 1 . 2]" 1
463 1 21 MET ME 1 21 MET HG3 . . 2.740 2.584 2.455 2.608 . 0 0 "[ . 1 . 2]" 1
464 1 21 MET ME 1 23 PHE H . . 5.500 5.442 5.291 5.510 0.010 13 0 "[ . 1 . 2]" 1
465 1 21 MET ME 1 23 PHE QD . . 3.230 3.105 2.927 3.247 0.017 8 0 "[ . 1 . 2]" 1
466 1 21 MET ME 1 23 PHE QE . . 3.010 3.042 2.802 3.322 0.312 1 0 "[ . 1 . 2]" 1
467 1 21 MET ME 1 30 LEU QD . . 4.910 4.507 4.452 4.542 . 0 0 "[ . 1 . 2]" 1
468 1 21 MET ME 1 41 ILE H . . 5.500 5.935 5.813 6.041 0.541 19 2 "[ . 1 - . +2]" 1
469 1 21 MET ME 1 41 ILE HA . . 3.720 3.864 3.787 3.950 0.230 19 0 "[ . 1 . 2]" 1
470 1 21 MET ME 1 41 ILE MD . . 3.940 3.795 3.721 3.876 . 0 0 "[ . 1 . 2]" 1
471 1 21 MET ME 1 41 ILE MG . . 3.160 1.950 1.830 2.061 . 0 0 "[ . 1 . 2]" 1
472 1 21 MET ME 1 44 ALA MB . . 4.290 4.376 4.276 4.500 0.210 20 0 "[ . 1 . 2]" 1
473 1 21 MET ME 1 45 LEU H . . 4.940 4.864 4.810 4.938 . 0 0 "[ . 1 . 2]" 1
474 1 21 MET ME 1 45 LEU QD . . 3.700 1.949 1.852 2.077 . 0 0 "[ . 1 . 2]" 1
475 1 21 MET HG2 1 22 GLY H . . 5.440 5.133 5.108 5.181 . 0 0 "[ . 1 . 2]" 1
476 1 21 MET HG2 1 41 ILE MG . . 5.090 5.145 5.066 5.325 0.235 1 0 "[ . 1 . 2]" 1
477 1 21 MET HG2 1 45 LEU QD . . 4.620 3.827 3.674 3.934 . 0 0 "[ . 1 . 2]" 1
478 1 21 MET HG3 1 22 GLY H . . 5.310 4.921 4.886 5.011 . 0 0 "[ . 1 . 2]" 1
479 1 21 MET HG3 1 23 PHE QD . . 5.500 5.221 5.102 5.282 . 0 0 "[ . 1 . 2]" 1
480 1 21 MET HG3 1 41 ILE MG . . 4.500 4.324 4.242 4.505 0.005 1 0 "[ . 1 . 2]" 1
481 1 21 MET HG3 1 45 LEU QD . . 4.580 4.094 3.988 4.152 . 0 0 "[ . 1 . 2]" 1
482 1 22 GLY H 1 23 PHE H . . 3.090 2.080 1.950 2.182 . 0 0 "[ . 1 . 2]" 1
483 1 22 GLY H 1 23 PHE HB2 . . 4.510 3.877 3.838 3.960 . 0 0 "[ . 1 . 2]" 1
484 1 23 PHE H 1 23 PHE HB2 . . 3.540 2.751 2.665 2.808 . 0 0 "[ . 1 . 2]" 1
485 1 23 PHE H 1 23 PHE HB3 . . 4.160 3.842 3.793 3.875 . 0 0 "[ . 1 . 2]" 1
486 1 23 PHE H 1 24 SER H . . 4.480 4.398 4.375 4.407 . 0 0 "[ . 1 . 2]" 1
487 1 23 PHE H 1 24 SER QB . . 5.340 5.418 4.951 5.812 0.472 20 0 "[ . 1 . 2]" 1
488 1 23 PHE H 1 30 LEU QD . . 5.300 4.802 4.743 4.915 . 0 0 "[ . 1 . 2]" 1
489 1 23 PHE HA 1 23 PHE QD . . 4.070 2.925 2.835 2.974 . 0 0 "[ . 1 . 2]" 1
490 1 23 PHE HA 1 24 SER H . . 3.120 2.579 2.561 2.645 . 0 0 "[ . 1 . 2]" 1
491 1 23 PHE HA 1 30 LEU QD . . 4.710 4.694 4.612 4.744 0.034 1 0 "[ . 1 . 2]" 1
492 1 23 PHE HB2 1 24 SER H . . 3.860 3.334 3.247 3.368 . 0 0 "[ . 1 . 2]" 1
493 1 23 PHE HB2 1 30 LEU QD . . 4.140 2.896 2.859 3.017 . 0 0 "[ . 1 . 2]" 1
494 1 23 PHE HB3 1 24 SER H . . 3.650 2.071 1.948 2.104 . 0 0 "[ . 1 . 2]" 1
495 1 23 PHE HB3 1 30 LEU QD . . 4.050 2.874 2.775 2.901 . 0 0 "[ . 1 . 2]" 1
496 1 23 PHE HB3 1 48 ILE MG . . 5.230 4.945 4.941 4.953 . 0 0 "[ . 1 . 2]" 1
497 1 23 PHE QD 1 24 SER H . . 3.900 3.517 3.433 3.555 . 0 0 "[ . 1 . 2]" 1
498 1 23 PHE QD 1 29 TRP HH2 . . 4.200 2.215 2.107 2.328 . 0 0 "[ . 1 . 2]" 1
499 1 23 PHE QD 1 29 TRP HZ2 . . 3.720 2.325 2.114 2.474 . 0 0 "[ . 1 . 2]" 1
500 1 23 PHE QD 1 30 LEU QD . . 4.110 3.781 3.755 3.803 . 0 0 "[ . 1 . 2]" 1
501 1 23 PHE QD 1 45 LEU QD . . 4.290 3.537 3.401 3.677 . 0 0 "[ . 1 . 2]" 1
502 1 23 PHE QD 1 48 ILE MD . . 4.340 3.734 3.657 3.794 . 0 0 "[ . 1 . 2]" 1
503 1 23 PHE QD 1 48 ILE MG . . 4.010 2.968 2.933 3.054 . 0 0 "[ . 1 . 2]" 1
504 1 23 PHE QE 1 45 LEU QD . . 3.950 2.122 1.975 2.247 . 0 0 "[ . 1 . 2]" 1
505 1 23 PHE QE 1 48 ILE H . . 5.500 4.962 4.813 4.997 . 0 0 "[ . 1 . 2]" 1
506 1 23 PHE QE 1 48 ILE MD . . 3.630 2.254 2.197 2.309 . 0 0 "[ . 1 . 2]" 1
507 1 23 PHE QE 1 48 ILE MG . . 3.980 2.611 2.531 2.730 . 0 0 "[ . 1 . 2]" 1
508 1 23 PHE HZ 1 45 LEU QD . . 3.330 2.576 2.427 2.673 . 0 0 "[ . 1 . 2]" 1
509 1 23 PHE HZ 1 48 ILE MD . . 3.700 2.479 2.361 2.564 . 0 0 "[ . 1 . 2]" 1
510 1 24 SER H 1 24 SER HB2 . . 3.940 3.095 2.863 3.339 . 0 0 "[ . 1 . 2]" 1
511 1 24 SER H 1 24 SER HB3 . . 3.940 3.588 3.041 4.010 0.070 1 0 "[ . 1 . 2]" 1
512 1 24 SER H 1 25 ASP H . . 4.600 4.329 4.325 4.331 . 0 0 "[ . 1 . 2]" 1
513 1 24 SER H 1 29 TRP HE1 . . 4.690 3.000 2.965 3.089 . 0 0 "[ . 1 . 2]" 1
514 1 24 SER H 1 29 TRP HZ2 . . 4.330 2.161 2.031 2.291 . 0 0 "[ . 1 . 2]" 1
515 1 24 SER H 1 30 LEU QD . . 4.120 3.515 3.364 3.608 . 0 0 "[ . 1 . 2]" 1
516 1 24 SER HA 1 25 ASP H . . 3.200 2.717 2.715 2.722 . 0 0 "[ . 1 . 2]" 1
517 1 24 SER HA 1 26 GLU H . . 5.180 4.522 4.445 4.605 . 0 0 "[ . 1 . 2]" 1
518 1 24 SER HA 1 29 TRP HE1 . . 4.980 4.563 4.484 4.638 . 0 0 "[ . 1 . 2]" 1
519 1 24 SER QB 1 26 GLU H . . 4.130 2.421 2.232 2.612 . 0 0 "[ . 1 . 2]" 1
520 1 24 SER QB 1 26 GLU HA . . 4.840 4.496 4.318 4.891 0.051 19 0 "[ . 1 . 2]" 1
521 1 24 SER QB 1 26 GLU QB . . 4.850 3.696 3.409 3.839 . 0 0 "[ . 1 . 2]" 1
522 1 24 SER QB 1 26 GLU QG . . 4.480 2.551 2.276 3.304 . 0 0 "[ . 1 . 2]" 1
523 1 24 SER HB2 1 25 ASP H . . 3.800 3.011 2.239 3.627 . 0 0 "[ . 1 . 2]" 1
524 1 24 SER HB2 1 26 GLU H . . 4.710 3.239 2.253 4.309 . 0 0 "[ . 1 . 2]" 1
525 1 24 SER HB3 1 25 ASP H . . 3.800 2.389 2.031 2.652 . 0 0 "[ . 1 . 2]" 1
526 1 24 SER HB3 1 26 GLU H . . 4.710 3.036 2.338 3.823 . 0 0 "[ . 1 . 2]" 1
527 1 25 ASP H 1 25 ASP HB2 . . 3.980 3.762 3.084 3.859 . 0 0 "[ . 1 . 2]" 1
528 1 25 ASP H 1 25 ASP HB3 . . 3.620 3.218 2.809 3.391 . 0 0 "[ . 1 . 2]" 1
529 1 25 ASP H 1 26 GLU H . . 3.890 2.441 2.287 2.619 . 0 0 "[ . 1 . 2]" 1
530 1 25 ASP H 1 26 GLU QB . . 5.240 4.596 4.365 4.722 . 0 0 "[ . 1 . 2]" 1
531 1 25 ASP H 1 29 TRP HE1 . . 4.940 4.002 3.872 4.167 . 0 0 "[ . 1 . 2]" 1
532 1 25 ASP H 1 30 LEU QD . . 5.230 4.368 4.173 4.513 . 0 0 "[ . 1 . 2]" 1
533 1 25 ASP HA 1 29 TRP HE1 . . 3.990 3.055 2.956 3.178 . 0 0 "[ . 1 . 2]" 1
534 1 25 ASP HA 1 30 LEU H . . 4.090 2.842 2.661 2.939 . 0 0 "[ . 1 . 2]" 1
535 1 25 ASP HB2 1 28 GLY H . . 5.020 4.413 4.059 5.485 0.465 11 0 "[ . 1 . 2]" 1
536 1 25 ASP HB2 1 30 LEU H . . 4.470 3.691 3.367 3.967 . 0 0 "[ . 1 . 2]" 1
537 1 25 ASP HB2 1 30 LEU QD . . 5.330 4.317 2.961 4.541 . 0 0 "[ . 1 . 2]" 1
538 1 25 ASP HB2 1 31 THR H . . 4.700 4.454 3.821 4.877 0.177 11 0 "[ . 1 . 2]" 1
539 1 25 ASP HB3 1 26 GLU H . . 4.670 4.582 4.026 4.648 . 0 0 "[ . 1 . 2]" 1
540 1 25 ASP HB3 1 30 LEU H . . 4.660 4.082 3.886 4.727 0.067 11 0 "[ . 1 . 2]" 1
541 1 25 ASP HB3 1 30 LEU HB3 . . 5.030 2.731 2.457 4.064 . 0 0 "[ . 1 . 2]" 1
542 1 25 ASP HB3 1 30 LEU QD . . 4.650 3.179 2.937 4.409 . 0 0 "[ . 1 . 2]" 1
543 1 26 GLU H 1 26 GLU QB . . 3.140 2.524 2.414 2.631 . 0 0 "[ . 1 . 2]" 1
544 1 26 GLU H 1 26 GLU HG2 . . 4.150 2.282 1.947 2.669 . 0 0 "[ . 1 . 2]" 1
545 1 26 GLU H 1 26 GLU QG . . 3.600 2.178 1.926 2.452 . 0 0 "[ . 1 . 2]" 1
546 1 26 GLU H 1 26 GLU HG3 . . 4.150 2.916 2.501 3.328 . 0 0 "[ . 1 . 2]" 1
547 1 26 GLU H 1 28 GLY H . . 4.940 4.420 4.221 4.504 . 0 0 "[ . 1 . 2]" 1
548 1 26 GLU H 1 29 TRP H . . 5.000 4.655 4.524 4.773 . 0 0 "[ . 1 . 2]" 1
549 1 26 GLU H 1 29 TRP HD1 . . 3.990 3.159 2.951 3.366 . 0 0 "[ . 1 . 2]" 1
550 1 26 GLU H 1 29 TRP HE1 . . 3.740 2.884 2.683 3.077 . 0 0 "[ . 1 . 2]" 1
551 1 26 GLU H 1 30 LEU H . . 5.500 5.338 5.201 5.358 . 0 0 "[ . 1 . 2]" 1
552 1 26 GLU HA 1 26 GLU HG2 . . 4.120 2.694 2.341 3.701 . 0 0 "[ . 1 . 2]" 1
553 1 26 GLU HA 1 26 GLU QG . . 3.550 2.608 2.312 3.330 . 0 0 "[ . 1 . 2]" 1
554 1 26 GLU HA 1 26 GLU HG3 . . 4.120 3.717 3.556 3.855 . 0 0 "[ . 1 . 2]" 1
555 1 26 GLU HA 1 27 GLY HA2 . . 5.280 4.377 4.372 4.384 . 0 0 "[ . 1 . 2]" 1
556 1 26 GLU HA 1 28 GLY H . . 5.180 4.141 3.855 4.304 . 0 0 "[ . 1 . 2]" 1
557 1 26 GLU QB 1 27 GLY HA2 . . 5.500 4.703 4.631 4.856 . 0 0 "[ . 1 . 2]" 1
558 1 26 GLU QB 1 28 GLY H . . 4.760 4.376 4.282 4.651 . 0 0 "[ . 1 . 2]" 1
559 1 26 GLU QB 1 29 TRP H . . 5.130 5.151 4.984 5.505 0.375 16 0 "[ . 1 . 2]" 1
560 1 26 GLU QB 1 29 TRP HD1 . . 4.490 3.489 3.267 4.045 . 0 0 "[ . 1 . 2]" 1
561 1 26 GLU QB 1 29 TRP HE1 . . 4.700 3.964 3.761 4.391 . 0 0 "[ . 1 . 2]" 1
562 1 26 GLU QG 1 29 TRP HD1 . . 4.730 4.227 2.187 4.705 . 0 0 "[ . 1 . 2]" 1
563 1 26 GLU QG 1 29 TRP HE1 . . 5.170 3.843 2.374 4.253 . 0 0 "[ . 1 . 2]" 1
564 1 26 GLU HG2 1 29 TRP HD1 . . 5.500 4.838 2.376 5.419 . 0 0 "[ . 1 . 2]" 1
565 1 26 GLU HG3 1 29 TRP HD1 . . 5.500 4.694 2.248 5.342 . 0 0 "[ . 1 . 2]" 1
566 1 27 GLY HA3 1 28 GLY H . . 3.240 2.724 2.642 2.882 . 0 0 "[ . 1 . 2]" 1
567 1 27 GLY HA3 1 29 TRP H . . 4.870 4.533 4.285 4.627 . 0 0 "[ . 1 . 2]" 1
568 1 28 GLY H 1 29 TRP H . . 3.570 2.092 2.039 2.176 . 0 0 "[ . 1 . 2]" 1
569 1 28 GLY H 1 29 TRP HB2 . . 5.500 5.312 5.202 5.506 0.006 11 0 "[ . 1 . 2]" 1
570 1 28 GLY H 1 29 TRP HB3 . . 4.770 3.800 3.669 4.046 . 0 0 "[ . 1 . 2]" 1
571 1 28 GLY H 1 30 LEU H . . 4.830 4.008 3.890 4.070 . 0 0 "[ . 1 . 2]" 1
572 1 28 GLY QA 1 30 LEU H . . 4.080 3.285 3.247 3.333 . 0 0 "[ . 1 . 2]" 1
573 1 28 GLY QA 1 31 THR H . . 3.690 3.265 3.122 3.308 . 0 0 "[ . 1 . 2]" 1
574 1 28 GLY QA 1 31 THR MG . . 3.180 1.991 1.911 2.019 . 0 0 "[ . 1 . 2]" 1
575 1 29 TRP H 1 29 TRP HB2 . . 3.820 3.677 3.658 3.697 . 0 0 "[ . 1 . 2]" 1
576 1 29 TRP H 1 29 TRP HB3 . . 3.420 2.642 2.599 2.684 . 0 0 "[ . 1 . 2]" 1
577 1 29 TRP H 1 29 TRP HD1 . . 3.440 2.380 2.349 2.413 . 0 0 "[ . 1 . 2]" 1
578 1 29 TRP H 1 29 TRP HE1 . . 4.750 4.490 4.485 4.495 . 0 0 "[ . 1 . 2]" 1
579 1 29 TRP H 1 30 LEU H . . 3.730 2.179 2.118 2.239 . 0 0 "[ . 1 . 2]" 1
580 1 29 TRP H 1 30 LEU HB2 . . 4.870 4.357 4.314 4.447 . 0 0 "[ . 1 . 2]" 1
581 1 29 TRP H 1 31 THR H . . 4.940 3.667 3.582 3.708 . 0 0 "[ . 1 . 2]" 1
582 1 29 TRP H 1 31 THR MG . . 4.630 3.848 3.782 3.917 . 0 0 "[ . 1 . 2]" 1
583 1 29 TRP HA 1 29 TRP HD1 . . 4.800 4.481 4.475 4.485 . 0 0 "[ . 1 . 2]" 1
584 1 29 TRP HA 1 29 TRP HE3 . . 4.140 4.161 4.154 4.171 0.031 8 0 "[ . 1 . 2]" 1
585 1 29 TRP HA 1 30 LEU HA . . 4.970 4.580 4.569 4.583 . 0 0 "[ . 1 . 2]" 1
586 1 29 TRP HA 1 30 LEU QD . . 5.500 5.395 5.390 5.401 . 0 0 "[ . 1 . 2]" 1
587 1 29 TRP HA 1 32 ARG H . . 4.590 4.077 4.064 4.144 . 0 0 "[ . 1 . 2]" 1
588 1 29 TRP HA 1 32 ARG HB2 . . 4.400 4.422 4.417 4.432 0.032 8 0 "[ . 1 . 2]" 1
589 1 29 TRP HA 1 32 ARG HG3 . . 5.180 5.185 5.183 5.189 0.009 1 0 "[ . 1 . 2]" 1
590 1 29 TRP HB3 1 29 TRP HE1 . . 4.930 4.801 4.799 4.802 . 0 0 "[ . 1 . 2]" 1
591 1 29 TRP HD1 1 30 LEU H . . 4.580 3.598 3.544 3.611 . 0 0 "[ . 1 . 2]" 1
592 1 29 TRP HE1 1 30 LEU H . . 4.860 4.589 4.523 4.599 . 0 0 "[ . 1 . 2]" 1
593 1 29 TRP HE1 1 30 LEU HB2 . . 4.590 3.771 3.739 3.779 . 0 0 "[ . 1 . 2]" 1
594 1 29 TRP HE1 1 30 LEU HB3 . . 5.300 4.955 4.833 4.983 . 0 0 "[ . 1 . 2]" 1
595 1 29 TRP HE1 1 30 LEU QD . . 4.500 4.152 4.125 4.167 . 0 0 "[ . 1 . 2]" 1
596 1 29 TRP HE3 1 30 LEU HA . . 4.550 3.911 3.880 3.930 . 0 0 "[ . 1 . 2]" 1
597 1 29 TRP HE3 1 30 LEU QD . . 4.410 3.641 3.607 3.662 . 0 0 "[ . 1 . 2]" 1
598 1 29 TRP HE3 1 33 LEU MD1 . . 5.290 4.179 4.105 4.396 . 0 0 "[ . 1 . 2]" 1
599 1 29 TRP HE3 1 33 LEU QD . . 4.250 2.294 2.241 2.459 . 0 0 "[ . 1 . 2]" 1
600 1 29 TRP HE3 1 33 LEU MD2 . . 5.290 2.304 2.250 2.472 . 0 0 "[ . 1 . 2]" 1
601 1 29 TRP HH2 1 30 LEU QD . . 4.210 2.968 2.859 3.015 . 0 0 "[ . 1 . 2]" 1
602 1 29 TRP HH2 1 33 LEU QD . . 4.530 3.565 3.509 3.773 . 0 0 "[ . 1 . 2]" 1
603 1 29 TRP HH2 1 48 ILE HA . . 5.500 5.370 5.258 5.501 0.001 15 0 "[ . 1 . 2]" 1
604 1 29 TRP HH2 1 48 ILE MD . . 4.580 3.375 3.238 3.473 . 0 0 "[ . 1 . 2]" 1
605 1 29 TRP HH2 1 48 ILE QG . . 4.020 2.194 2.104 2.296 . 0 0 "[ . 1 . 2]" 1
606 1 29 TRP HH2 1 48 ILE MG . . 3.490 3.190 3.098 3.271 . 0 0 "[ . 1 . 2]" 1
607 1 29 TRP HZ2 1 30 LEU QD . . 4.110 3.296 3.237 3.316 . 0 0 "[ . 1 . 2]" 1
608 1 29 TRP HZ2 1 33 LEU QD . . 5.030 4.931 4.875 5.107 0.077 8 0 "[ . 1 . 2]" 1
609 1 29 TRP HZ2 1 48 ILE MG . . 4.350 3.884 3.686 3.997 . 0 0 "[ . 1 . 2]" 1
610 1 29 TRP HZ3 1 30 LEU HA . . 4.680 4.660 4.620 4.685 0.005 8 0 "[ . 1 . 2]" 1
611 1 29 TRP HZ3 1 30 LEU QD . . 4.140 3.169 3.106 3.206 . 0 0 "[ . 1 . 2]" 1
612 1 29 TRP HZ3 1 33 LEU QD . . 3.910 2.003 1.952 2.216 . 0 0 "[ . 1 . 2]" 1
613 1 29 TRP HZ3 1 44 ALA MB . . 4.730 4.208 4.052 4.337 . 0 0 "[ . 1 . 2]" 1
614 1 29 TRP HZ3 1 48 ILE H . . 5.500 5.021 4.629 5.154 . 0 0 "[ . 1 . 2]" 1
615 1 29 TRP HZ3 1 48 ILE HA . . 5.180 4.337 4.121 4.494 . 0 0 "[ . 1 . 2]" 1
616 1 29 TRP HZ3 1 48 ILE QG . . 4.970 2.299 2.140 2.372 . 0 0 "[ . 1 . 2]" 1
617 1 29 TRP HZ3 1 48 ILE MG . . 3.540 3.541 3.536 3.548 0.008 3 0 "[ . 1 . 2]" 1
618 1 30 LEU H 1 30 LEU HB2 . . 3.680 2.651 2.645 2.682 . 0 0 "[ . 1 . 2]" 1
619 1 30 LEU H 1 30 LEU HB3 . . 3.620 2.709 2.705 2.717 . 0 0 "[ . 1 . 2]" 1
620 1 30 LEU H 1 30 LEU QD . . 4.090 3.719 3.712 3.750 . 0 0 "[ . 1 . 2]" 1
621 1 30 LEU H 1 30 LEU HG . . 4.810 4.596 4.593 4.598 . 0 0 "[ . 1 . 2]" 1
622 1 30 LEU H 1 31 THR H . . 3.600 2.245 2.156 2.262 . 0 0 "[ . 1 . 2]" 1
623 1 30 LEU H 1 31 THR HA . . 4.890 4.709 4.672 4.715 . 0 0 "[ . 1 . 2]" 1
624 1 30 LEU H 1 32 ARG H . . 4.130 4.115 4.018 4.134 0.004 17 0 "[ . 1 . 2]" 1
625 1 30 LEU HA 1 30 LEU QD . . 3.270 1.901 1.888 1.908 . 0 0 "[ . 1 . 2]" 1
626 1 30 LEU HA 1 30 LEU HG . . 4.160 2.919 2.903 2.925 . 0 0 "[ . 1 . 2]" 1
627 1 30 LEU HA 1 33 LEU H . . 3.910 3.288 3.263 3.299 . 0 0 "[ . 1 . 2]" 1
628 1 30 LEU HA 1 33 LEU HA . . 4.810 5.051 5.029 5.064 0.254 12 0 "[ . 1 . 2]" 1
629 1 30 LEU HA 1 33 LEU HB2 . . 3.890 3.456 3.432 3.478 . 0 0 "[ . 1 . 2]" 1
630 1 30 LEU HA 1 33 LEU HB3 . . 4.070 2.201 2.181 2.210 . 0 0 "[ . 1 . 2]" 1
631 1 30 LEU HA 1 33 LEU QD . . 4.370 3.014 2.952 3.059 . 0 0 "[ . 1 . 2]" 1
632 1 30 LEU HA 1 34 LEU H . . 4.510 3.703 3.567 3.740 . 0 0 "[ . 1 . 2]" 1
633 1 30 LEU HA 1 34 LEU QD . . 5.020 2.829 2.823 2.838 . 0 0 "[ . 1 . 2]" 1
634 1 30 LEU HA 1 34 LEU HG . . 5.500 5.663 5.648 5.678 0.178 11 0 "[ . 1 . 2]" 1
635 1 30 LEU HA 1 44 ALA MB . . 5.040 4.927 4.808 5.000 . 0 0 "[ . 1 . 2]" 1
636 1 30 LEU HA 1 48 ILE MG . . 5.500 7.026 6.855 7.125 1.625 19 20 [-*****************+*] 1
637 1 30 LEU HB2 1 31 THR H . . 4.310 4.233 4.192 4.245 . 0 0 "[ . 1 . 2]" 1
638 1 30 LEU HB2 1 34 LEU QD . . 5.500 4.066 4.029 4.076 . 0 0 "[ . 1 . 2]" 1
639 1 30 LEU HB3 1 30 LEU QD . . 3.250 2.169 2.152 2.176 . 0 0 "[ . 1 . 2]" 1
640 1 30 LEU QD 1 31 THR H . . 5.130 4.395 4.389 4.397 . 0 0 "[ . 1 . 2]" 1
641 1 30 LEU QD 1 33 LEU H . . 4.140 4.446 4.425 4.458 0.318 19 0 "[ . 1 . 2]" 1
642 1 30 LEU QD 1 33 LEU HA . . 4.790 5.285 5.274 5.297 0.507 19 3 "[ .- 1 * . +2]" 1
643 1 30 LEU QD 1 33 LEU HB2 . . 4.140 3.866 3.845 3.883 . 0 0 "[ . 1 . 2]" 1
644 1 30 LEU QD 1 33 LEU HB3 . . 3.870 2.835 2.781 2.856 . 0 0 "[ . 1 . 2]" 1
645 1 30 LEU QD 1 33 LEU MD1 . . 3.960 4.171 4.161 4.178 0.218 12 0 "[ . 1 . 2]" 1
646 1 30 LEU QD 1 33 LEU QD . . 3.270 2.000 1.915 2.115 . 0 0 "[ . 1 . 2]" 1
647 1 30 LEU QD 1 33 LEU MD2 . . 3.960 2.004 1.918 2.121 . 0 0 "[ . 1 . 2]" 1
648 1 30 LEU QD 1 34 LEU H . . 4.100 3.812 3.657 3.851 . 0 0 "[ . 1 . 2]" 1
649 1 30 LEU QD 1 34 LEU HA . . 4.750 4.762 4.674 4.789 0.039 18 0 "[ . 1 . 2]" 1
650 1 30 LEU QD 1 34 LEU HB2 . . 4.370 4.532 4.440 4.550 0.180 16 0 "[ . 1 . 2]" 1
651 1 30 LEU QD 1 34 LEU QD . . 3.040 1.774 1.768 1.777 . 0 0 "[ . 1 . 2]" 1
652 1 30 LEU QD 1 34 LEU HG . . 3.610 3.752 3.737 3.768 0.158 19 0 "[ . 1 . 2]" 1
653 1 30 LEU QD 1 35 GLN H . . 5.500 5.896 5.826 5.911 0.411 20 0 "[ . 1 . 2]" 1
654 1 30 LEU QD 1 44 ALA HA . . 4.520 4.886 4.508 4.972 0.452 14 0 "[ . 1 . 2]" 1
655 1 30 LEU QD 1 44 ALA MB . . 3.600 2.906 2.634 2.984 . 0 0 "[ . 1 . 2]" 1
656 1 30 LEU QD 1 47 THR HB . . 5.500 5.049 4.761 5.133 . 0 0 "[ . 1 . 2]" 1
657 1 30 LEU QD 1 48 ILE MG . . 4.030 4.939 4.827 4.973 0.943 19 20 [-*****************+*] 1
658 1 30 LEU HG 1 33 LEU QD . . 4.200 4.203 4.094 4.295 0.095 16 0 "[ . 1 . 2]" 1
659 1 30 LEU HG 1 34 LEU QD . . 3.200 1.973 1.930 1.990 . 0 0 "[ . 1 . 2]" 1
660 1 31 THR H 1 31 THR HB . . 4.010 2.831 2.750 2.855 . 0 0 "[ . 1 . 2]" 1
661 1 31 THR H 1 31 THR MG . . 3.550 1.925 1.916 2.010 . 0 0 "[ . 1 . 2]" 1
662 1 31 THR H 1 32 ARG H . . 3.810 2.231 2.219 2.275 . 0 0 "[ . 1 . 2]" 1
663 1 31 THR H 1 32 ARG HG2 . . 5.200 4.214 4.204 4.222 . 0 0 "[ . 1 . 2]" 1
664 1 31 THR HA 1 33 LEU H . . 4.920 4.688 4.667 4.712 . 0 0 "[ . 1 . 2]" 1
665 1 31 THR HB 1 32 ARG H . . 4.400 4.166 4.122 4.181 . 0 0 "[ . 1 . 2]" 1
666 1 31 THR HB 1 32 ARG HG2 . . 4.780 4.546 4.521 4.552 . 0 0 "[ . 1 . 2]" 1
667 1 31 THR MG 1 32 ARG H . . 3.550 2.223 2.205 2.318 . 0 0 "[ . 1 . 2]" 1
668 1 31 THR MG 1 32 ARG HA . . 4.430 3.870 3.769 3.894 . 0 0 "[ . 1 . 2]" 1
669 1 31 THR MG 1 32 ARG HB3 . . 4.800 4.345 4.263 4.366 . 0 0 "[ . 1 . 2]" 1
670 1 31 THR MG 1 32 ARG HG2 . . 3.730 2.058 1.924 2.104 . 0 0 "[ . 1 . 2]" 1
671 1 32 ARG H 1 32 ARG HB2 . . 3.240 2.647 2.644 2.658 . 0 0 "[ . 1 . 2]" 1
672 1 32 ARG H 1 32 ARG HB3 . . 3.810 3.766 3.763 3.772 . 0 0 "[ . 1 . 2]" 1
673 1 32 ARG H 1 32 ARG HD2 . . 4.810 4.913 4.859 5.023 0.213 11 0 "[ . 1 . 2]" 1
674 1 32 ARG H 1 32 ARG HD3 . . 4.810 4.912 4.809 4.967 0.157 14 0 "[ . 1 . 2]" 1
675 1 32 ARG H 1 32 ARG HG2 . . 3.280 2.870 2.865 2.873 . 0 0 "[ . 1 . 2]" 1
676 1 32 ARG H 1 32 ARG HG3 . . 4.140 3.669 3.647 3.679 . 0 0 "[ . 1 . 2]" 1
677 1 32 ARG H 1 34 LEU QD . . 5.500 4.320 4.287 4.427 . 0 0 "[ . 1 . 2]" 1
678 1 32 ARG HA 1 32 ARG HD2 . . 4.100 2.990 2.867 3.244 . 0 0 "[ . 1 . 2]" 1
679 1 32 ARG HA 1 32 ARG QD . . 3.590 2.780 2.746 2.815 . 0 0 "[ . 1 . 2]" 1
680 1 32 ARG HA 1 32 ARG HD3 . . 4.100 3.368 3.083 3.514 . 0 0 "[ . 1 . 2]" 1
681 1 32 ARG HA 1 32 ARG HG2 . . 3.430 2.706 2.700 2.709 . 0 0 "[ . 1 . 2]" 1
682 1 32 ARG HA 1 32 ARG HG3 . . 3.910 3.809 3.808 3.811 . 0 0 "[ . 1 . 2]" 1
683 1 32 ARG HA 1 35 GLN H . . 4.110 3.303 3.266 3.430 . 0 0 "[ . 1 . 2]" 1
684 1 32 ARG HA 1 35 GLN HB2 . . 3.980 2.560 2.437 2.768 . 0 0 "[ . 1 . 2]" 1
685 1 32 ARG HA 1 35 GLN HB3 . . 4.550 4.108 4.034 4.226 . 0 0 "[ . 1 . 2]" 1
686 1 32 ARG HA 1 35 GLN HG2 . . 5.010 4.419 4.149 4.639 . 0 0 "[ . 1 . 2]" 1
687 1 32 ARG HA 1 35 GLN QG . . 4.200 2.968 2.488 3.333 . 0 0 "[ . 1 . 2]" 1
688 1 32 ARG HA 1 35 GLN HG3 . . 5.010 3.019 2.508 3.416 . 0 0 "[ . 1 . 2]" 1
689 1 32 ARG HB3 1 32 ARG HD2 . . 3.860 2.025 1.997 2.064 . 0 0 "[ . 1 . 2]" 1
690 1 32 ARG HB3 1 32 ARG QD . . 3.370 2.008 1.976 2.047 . 0 0 "[ . 1 . 2]" 1
691 1 32 ARG HB3 1 32 ARG HD3 . . 3.860 3.320 3.128 3.409 . 0 0 "[ . 1 . 2]" 1
692 1 33 LEU H 1 33 LEU HB2 . . 3.300 2.731 2.721 2.748 . 0 0 "[ . 1 . 2]" 1
693 1 33 LEU H 1 33 LEU HB3 . . 3.440 2.301 2.283 2.310 . 0 0 "[ . 1 . 2]" 1
694 1 33 LEU H 1 33 LEU MD1 . . 4.520 4.202 4.187 4.220 . 0 0 "[ . 1 . 2]" 1
695 1 33 LEU H 1 33 LEU MD2 . . 4.520 4.217 4.201 4.235 . 0 0 "[ . 1 . 2]" 1
696 1 33 LEU H 1 33 LEU HG . . 4.350 4.325 4.307 4.335 . 0 0 "[ . 1 . 2]" 1
697 1 33 LEU H 1 34 LEU H . . 3.790 2.920 2.904 2.996 . 0 0 "[ . 1 . 2]" 1
698 1 33 LEU H 1 34 LEU HA . . 5.500 5.467 5.457 5.512 0.012 1 0 "[ . 1 . 2]" 1
699 1 33 LEU H 1 34 LEU QD . . 4.570 3.704 3.679 3.814 . 0 0 "[ . 1 . 2]" 1
700 1 33 LEU H 1 35 GLN H . . 4.520 4.277 4.242 4.294 . 0 0 "[ . 1 . 2]" 1
701 1 33 LEU HA 1 33 LEU QD . . 3.170 2.326 2.265 2.382 . 0 0 "[ . 1 . 2]" 1
702 1 33 LEU HA 1 33 LEU HG . . 4.030 3.446 3.384 3.476 . 0 0 "[ . 1 . 2]" 1
703 1 33 LEU HA 1 35 GLN H . . 4.850 4.630 4.529 4.664 . 0 0 "[ . 1 . 2]" 1
704 1 33 LEU HA 1 36 THR H . . 4.210 3.664 3.565 3.693 . 0 0 "[ . 1 . 2]" 1
705 1 33 LEU HA 1 36 THR MG . . 5.050 3.817 2.658 4.291 . 0 0 "[ . 1 . 2]" 1
706 1 33 LEU HA 1 47 THR MG . . 5.500 4.231 4.176 4.292 . 0 0 "[ . 1 . 2]" 1
707 1 33 LEU HB2 1 33 LEU MD1 . . 3.570 2.363 2.294 2.415 . 0 0 "[ . 1 . 2]" 1
708 1 33 LEU HB2 1 33 LEU MD2 . . 3.570 2.265 2.225 2.317 . 0 0 "[ . 1 . 2]" 1
709 1 33 LEU HB2 1 34 LEU H . . 3.840 3.887 3.797 3.910 0.070 2 0 "[ . 1 . 2]" 1
710 1 33 LEU HB2 1 47 THR MG . . 4.800 3.788 3.483 3.895 . 0 0 "[ . 1 . 2]" 1
711 1 33 LEU HB3 1 34 LEU H . . 3.910 2.495 2.372 2.526 . 0 0 "[ . 1 . 2]" 1
712 1 33 LEU HB3 1 34 LEU QD . . 3.720 2.663 2.629 2.748 . 0 0 "[ . 1 . 2]" 1
713 1 33 LEU QD 1 34 LEU H . . 4.010 3.520 3.384 3.563 . 0 0 "[ . 1 . 2]" 1
714 1 33 LEU QD 1 36 THR H . . 4.280 4.272 4.162 4.298 0.018 12 0 "[ . 1 . 2]" 1
715 1 33 LEU QD 1 36 THR HB . . 5.000 4.182 3.820 4.815 . 0 0 "[ . 1 . 2]" 1
716 1 33 LEU QD 1 37 LYS HB3 . . 4.890 4.468 4.184 4.550 . 0 0 "[ . 1 . 2]" 1
717 1 33 LEU QD 1 37 LYS QE . . 3.350 2.547 1.892 2.796 . 0 0 "[ . 1 . 2]" 1
718 1 33 LEU QD 1 44 ALA HA . . 3.410 2.174 2.107 2.222 . 0 0 "[ . 1 . 2]" 1
719 1 33 LEU QD 1 44 ALA MB . . 3.680 2.080 1.973 2.210 . 0 0 "[ . 1 . 2]" 1
720 1 33 LEU QD 1 47 THR H . . 4.260 3.655 3.600 3.844 . 0 0 "[ . 1 . 2]" 1
721 1 33 LEU QD 1 47 THR HA . . 4.150 3.974 3.909 4.026 . 0 0 "[ . 1 . 2]" 1
722 1 33 LEU QD 1 47 THR HB . . 3.460 1.923 1.881 1.963 . 0 0 "[ . 1 . 2]" 1
723 1 33 LEU QD 1 47 THR MG . . 2.680 1.822 1.766 1.867 . 0 0 "[ . 1 . 2]" 1
724 1 33 LEU QD 1 48 ILE H . . 4.990 4.611 4.493 4.656 . 0 0 "[ . 1 . 2]" 1
725 1 33 LEU QD 1 48 ILE MG . . 3.780 4.400 4.342 4.570 0.790 1 20 [+*************-*****] 1
726 1 33 LEU MD1 1 34 LEU H . . 4.620 3.948 3.828 3.984 . 0 0 "[ . 1 . 2]" 1
727 1 33 LEU MD1 1 44 ALA HA . . 3.970 2.327 2.210 2.548 . 0 0 "[ . 1 . 2]" 1
728 1 33 LEU MD1 1 46 ASP H . . 5.500 5.269 5.186 5.373 . 0 0 "[ . 1 . 2]" 1
729 1 33 LEU MD1 1 47 THR H . . 4.910 4.383 4.278 4.740 . 0 0 "[ . 1 . 2]" 1
730 1 33 LEU MD1 1 47 THR HA . . 4.740 4.277 4.225 4.358 . 0 0 "[ . 1 . 2]" 1
731 1 33 LEU MD1 1 47 THR HB . . 4.150 2.332 2.240 2.630 . 0 0 "[ . 1 . 2]" 1
732 1 33 LEU MD1 1 47 THR MG . . 3.290 1.841 1.806 1.888 . 0 0 "[ . 1 . 2]" 1
733 1 33 LEU MD2 1 34 LEU H . . 4.620 3.957 3.684 4.049 . 0 0 "[ . 1 . 2]" 1
734 1 33 LEU MD2 1 44 ALA HA . . 3.970 2.654 2.275 2.789 . 0 0 "[ . 1 . 2]" 1
735 1 33 LEU MD2 1 46 ASP H . . 5.500 5.160 4.995 5.315 . 0 0 "[ . 1 . 2]" 1
736 1 33 LEU MD2 1 47 THR H . . 4.910 3.915 3.865 4.065 . 0 0 "[ . 1 . 2]" 1
737 1 33 LEU MD2 1 47 THR HA . . 4.740 4.722 4.507 4.745 0.005 3 0 "[ . 1 . 2]" 1
738 1 33 LEU MD2 1 47 THR HB . . 4.150 2.055 1.961 2.138 . 0 0 "[ . 1 . 2]" 1
739 1 33 LEU MD2 1 47 THR MG . . 3.290 2.930 2.500 2.998 . 0 0 "[ . 1 . 2]" 1
740 1 33 LEU HG 1 34 LEU H . . 3.800 2.968 2.780 3.032 . 0 0 "[ . 1 . 2]" 1
741 1 33 LEU HG 1 34 LEU HA . . 4.310 3.153 3.037 3.193 . 0 0 "[ . 1 . 2]" 1
742 1 34 LEU H 1 34 LEU HB2 . . 3.830 2.336 2.333 2.343 . 0 0 "[ . 1 . 2]" 1
743 1 34 LEU H 1 34 LEU HB3 . . 4.180 3.560 3.559 3.563 . 0 0 "[ . 1 . 2]" 1
744 1 34 LEU H 1 34 LEU QD . . 3.520 1.853 1.848 1.856 . 0 0 "[ . 1 . 2]" 1
745 1 34 LEU H 1 34 LEU HG . . 3.580 3.900 3.894 3.903 0.323 2 0 "[ . 1 . 2]" 1
746 1 34 LEU H 1 35 GLN H . . 3.710 2.757 2.722 2.868 . 0 0 "[ . 1 . 2]" 1
747 1 34 LEU H 1 35 GLN HB2 . . 4.970 4.811 4.687 4.967 . 0 0 "[ . 1 . 2]" 1
748 1 34 LEU H 1 35 GLN QG . . 5.060 4.445 4.167 4.724 . 0 0 "[ . 1 . 2]" 1
749 1 34 LEU H 1 36 THR H . . 4.820 4.150 4.079 4.344 . 0 0 "[ . 1 . 2]" 1
750 1 34 LEU H 1 39 TYR QD . . 5.310 5.511 5.508 5.516 0.206 1 0 "[ . 1 . 2]" 1
751 1 34 LEU HA 1 34 LEU QD . . 3.270 1.969 1.908 2.011 . 0 0 "[ . 1 . 2]" 1
752 1 34 LEU HA 1 34 LEU HG . . 3.810 3.689 3.679 3.692 . 0 0 "[ . 1 . 2]" 1
753 1 34 LEU HA 1 36 THR H . . 4.390 4.142 3.988 4.365 . 0 0 "[ . 1 . 2]" 1
754 1 34 LEU HA 1 37 LYS H . . 3.920 3.190 3.071 3.299 . 0 0 "[ . 1 . 2]" 1
755 1 34 LEU HA 1 37 LYS HB2 . . 4.070 2.599 2.459 2.668 . 0 0 "[ . 1 . 2]" 1
756 1 34 LEU HA 1 37 LYS HB3 . . 4.560 4.294 3.917 4.396 . 0 0 "[ . 1 . 2]" 1
757 1 34 LEU HA 1 39 TYR H . . 4.590 3.618 3.470 3.695 . 0 0 "[ . 1 . 2]" 1
758 1 34 LEU HA 1 39 TYR QD . . 4.790 4.660 4.524 4.699 . 0 0 "[ . 1 . 2]" 1
759 1 34 LEU HA 1 44 ALA MB . . 4.470 3.177 3.062 3.470 . 0 0 "[ . 1 . 2]" 1
760 1 34 LEU HB2 1 35 GLN H . . 3.530 2.558 2.540 2.592 . 0 0 "[ . 1 . 2]" 1
761 1 34 LEU HB2 1 37 LYS H . . 5.500 5.248 5.196 5.285 . 0 0 "[ . 1 . 2]" 1
762 1 34 LEU HB2 1 39 TYR HA . . 4.350 3.848 3.820 3.931 . 0 0 "[ . 1 . 2]" 1
763 1 34 LEU HB3 1 34 LEU QD . . 3.190 2.320 2.303 2.343 . 0 0 "[ . 1 . 2]" 1
764 1 34 LEU HB3 1 39 TYR HA . . 4.050 2.098 2.075 2.172 . 0 0 "[ . 1 . 2]" 1
765 1 34 LEU QD 1 35 GLN H . . 4.550 3.638 3.621 3.695 . 0 0 "[ . 1 . 2]" 1
766 1 34 LEU QD 1 37 LYS H . . 5.500 4.333 4.221 4.413 . 0 0 "[ . 1 . 2]" 1
767 1 34 LEU QD 1 39 TYR H . . 4.040 3.841 3.611 3.917 . 0 0 "[ . 1 . 2]" 1
768 1 34 LEU QD 1 39 TYR HA . . 3.230 2.605 2.247 2.687 . 0 0 "[ . 1 . 2]" 1
769 1 34 LEU QD 1 39 TYR QB . . 4.120 3.987 3.723 4.042 . 0 0 "[ . 1 . 2]" 1
770 1 34 LEU QD 1 39 TYR QD . . 4.220 3.988 3.799 4.031 . 0 0 "[ . 1 . 2]" 1
771 1 34 LEU QD 1 39 TYR QE . . 4.940 5.353 5.242 5.378 0.438 16 0 "[ . 1 . 2]" 1
772 1 34 LEU QD 1 40 ASP H . . 4.370 2.517 2.282 2.617 . 0 0 "[ . 1 . 2]" 1
773 1 34 LEU QD 1 41 ILE H . . 4.560 4.521 4.502 4.536 . 0 0 "[ . 1 . 2]" 1
774 1 34 LEU QD 1 41 ILE HA . . 3.370 3.277 3.226 3.363 . 0 0 "[ . 1 . 2]" 1
775 1 34 LEU QD 1 41 ILE QG . . 4.530 4.479 4.453 4.491 . 0 0 "[ . 1 . 2]" 1
776 1 34 LEU QD 1 41 ILE MG . . 3.650 4.095 4.004 4.269 0.619 1 2 "[+ . - 1 . 2]" 1
777 1 34 LEU QD 1 44 ALA MB . . 3.130 1.853 1.830 1.911 . 0 0 "[ . 1 . 2]" 1
778 1 34 LEU HG 1 35 GLN H . . 5.490 4.988 4.975 5.008 . 0 0 "[ . 1 . 2]" 1
779 1 34 LEU HG 1 39 TYR H . . 5.190 5.474 5.384 5.504 0.314 13 0 "[ . 1 . 2]" 1
780 1 34 LEU HG 1 39 TYR QB . . 5.500 4.798 4.637 4.859 . 0 0 "[ . 1 . 2]" 1
781 1 35 GLN H 1 35 GLN HB2 . . 3.450 2.457 2.359 2.567 . 0 0 "[ . 1 . 2]" 1
782 1 35 GLN H 1 35 GLN HB3 . . 3.980 3.583 3.569 3.593 . 0 0 "[ . 1 . 2]" 1
783 1 35 GLN H 1 35 GLN HG2 . . 3.910 3.423 2.958 3.667 . 0 0 "[ . 1 . 2]" 1
784 1 35 GLN H 1 35 GLN QG . . 3.270 2.255 2.060 2.413 . 0 0 "[ . 1 . 2]" 1
785 1 35 GLN H 1 35 GLN HG3 . . 3.910 2.290 2.084 2.447 . 0 0 "[ . 1 . 2]" 1
786 1 35 GLN H 1 36 THR MG . . 5.500 5.054 4.104 5.460 . 0 0 "[ . 1 . 2]" 1
787 1 35 GLN H 1 37 LYS H . . 4.900 3.995 3.922 4.033 . 0 0 "[ . 1 . 2]" 1
788 1 35 GLN H 1 37 LYS HB2 . . 5.500 5.405 5.170 5.491 . 0 0 "[ . 1 . 2]" 1
789 1 35 GLN H 1 39 TYR QE . . 4.520 4.213 4.147 4.253 . 0 0 "[ . 1 . 2]" 1
790 1 35 GLN HA 1 35 GLN HG2 . . 3.740 2.490 2.358 2.640 . 0 0 "[ . 1 . 2]" 1
791 1 35 GLN HA 1 35 GLN HG3 . . 3.740 3.017 2.827 3.376 . 0 0 "[ . 1 . 2]" 1
792 1 35 GLN HA 1 36 THR MG . . 5.500 5.321 4.721 5.522 0.022 9 0 "[ . 1 . 2]" 1
793 1 35 GLN HA 1 37 LYS H . . 4.780 4.041 3.793 4.140 . 0 0 "[ . 1 . 2]" 1
794 1 35 GLN HA 1 38 ASN H . . 4.450 3.686 3.545 3.910 . 0 0 "[ . 1 . 2]" 1
795 1 35 GLN HA 1 39 TYR H . . 4.400 3.221 3.078 3.447 . 0 0 "[ . 1 . 2]" 1
796 1 35 GLN HA 1 39 TYR QE . . 3.630 2.872 2.736 2.932 . 0 0 "[ . 1 . 2]" 1
797 1 35 GLN HB2 1 36 THR H . . 3.730 2.754 2.555 2.906 . 0 0 "[ . 1 . 2]" 1
798 1 35 GLN HB3 1 36 THR H . . 3.770 3.658 3.520 3.822 0.052 18 0 "[ . 1 . 2]" 1
799 1 35 GLN HB3 1 37 LYS H . . 5.500 5.311 5.115 5.455 . 0 0 "[ . 1 . 2]" 1
800 1 35 GLN QG 1 36 THR H . . 4.880 4.171 4.000 4.297 . 0 0 "[ . 1 . 2]" 1
801 1 35 GLN QG 1 39 TYR QE . . 3.580 2.132 2.007 2.246 . 0 0 "[ . 1 . 2]" 1
802 1 35 GLN HG2 1 39 TYR QE . . 4.210 2.179 2.017 2.341 . 0 0 "[ . 1 . 2]" 1
803 1 35 GLN HG3 1 39 TYR QE . . 4.210 3.140 2.796 3.637 . 0 0 "[ . 1 . 2]" 1
804 1 36 THR H 1 36 THR HB . . 3.770 3.445 3.329 3.644 . 0 0 "[ . 1 . 2]" 1
805 1 36 THR H 1 36 THR MG . . 3.570 2.976 2.150 3.395 . 0 0 "[ . 1 . 2]" 1
806 1 36 THR H 1 37 LYS H . . 3.470 2.444 2.301 2.548 . 0 0 "[ . 1 . 2]" 1
807 1 36 THR H 1 37 LYS HB2 . . 4.900 4.700 4.524 4.816 . 0 0 "[ . 1 . 2]" 1
808 1 36 THR H 1 37 LYS QD . . 5.070 4.854 3.825 5.042 . 0 0 "[ . 1 . 2]" 1
809 1 36 THR H 1 38 ASN H . . 4.510 3.997 3.961 4.080 . 0 0 "[ . 1 . 2]" 1
810 1 36 THR HA 1 36 THR MG . . 3.090 2.176 1.988 2.448 . 0 0 "[ . 1 . 2]" 1
811 1 36 THR HA 1 37 LYS QD . . 4.700 4.662 4.224 4.715 0.015 5 0 "[ . 1 . 2]" 1
812 1 36 THR HB 1 37 LYS H . . 4.190 3.675 3.469 4.294 0.104 11 0 "[ . 1 . 2]" 1
813 1 36 THR HB 1 37 LYS QD . . 4.170 3.163 2.555 3.944 . 0 0 "[ . 1 . 2]" 1
814 1 36 THR HB 1 38 ASN H . . 5.240 5.096 4.980 5.475 0.235 11 0 "[ . 1 . 2]" 1
815 1 36 THR MG 1 37 LYS H . . 4.900 4.226 3.828 4.371 . 0 0 "[ . 1 . 2]" 1
816 1 36 THR MG 1 38 ASN H . . 5.280 5.111 5.025 5.174 . 0 0 "[ . 1 . 2]" 1
817 1 37 LYS H 1 37 LYS HB2 . . 3.270 2.522 2.274 2.573 . 0 0 "[ . 1 . 2]" 1
818 1 37 LYS H 1 37 LYS HB3 . . 3.820 3.679 3.526 3.734 . 0 0 "[ . 1 . 2]" 1
819 1 37 LYS H 1 37 LYS HD2 . . 4.820 4.361 3.360 4.629 . 0 0 "[ . 1 . 2]" 1
820 1 37 LYS H 1 37 LYS QD . . 4.240 3.413 2.540 3.706 . 0 0 "[ . 1 . 2]" 1
821 1 37 LYS H 1 37 LYS HD3 . . 4.820 3.565 2.628 3.900 . 0 0 "[ . 1 . 2]" 1
822 1 37 LYS H 1 37 LYS QE . . 5.290 4.812 4.641 5.061 . 0 0 "[ . 1 . 2]" 1
823 1 37 LYS H 1 37 LYS QG . . 3.820 2.726 2.519 3.787 . 0 0 "[ . 1 . 2]" 1
824 1 37 LYS H 1 38 ASN H . . 3.510 2.433 2.255 2.490 . 0 0 "[ . 1 . 2]" 1
825 1 37 LYS H 1 38 ASN HA . . 4.830 4.540 4.364 4.576 . 0 0 "[ . 1 . 2]" 1
826 1 37 LYS H 1 38 ASN QB . . 5.340 4.906 4.811 5.241 . 0 0 "[ . 1 . 2]" 1
827 1 37 LYS H 1 39 TYR H . . 4.380 3.437 3.307 3.620 . 0 0 "[ . 1 . 2]" 1
828 1 37 LYS H 1 43 ALA MB . . 5.390 5.163 5.055 5.290 . 0 0 "[ . 1 . 2]" 1
829 1 37 LYS HA 1 37 LYS HD2 . . 3.640 2.414 2.377 2.468 . 0 0 "[ . 1 . 2]" 1
830 1 37 LYS HA 1 37 LYS QD . . 3.110 2.164 2.112 2.400 . 0 0 "[ . 1 . 2]" 1
831 1 37 LYS HA 1 37 LYS HD3 . . 3.640 2.482 2.343 3.276 . 0 0 "[ . 1 . 2]" 1
832 1 37 LYS HA 1 37 LYS QE . . 4.870 4.137 4.103 4.154 . 0 0 "[ . 1 . 2]" 1
833 1 37 LYS HA 1 43 ALA MB . . 4.130 3.818 3.723 3.889 . 0 0 "[ . 1 . 2]" 1
834 1 37 LYS HB2 1 38 ASN H . . 4.130 3.822 3.795 3.847 . 0 0 "[ . 1 . 2]" 1
835 1 37 LYS HB2 1 38 ASN HA . . 5.500 5.455 5.404 5.605 0.105 12 0 "[ . 1 . 2]" 1
836 1 37 LYS HB2 1 38 ASN QB . . 5.340 4.988 4.912 5.190 . 0 0 "[ . 1 . 2]" 1
837 1 37 LYS HB2 1 39 TYR H . . 4.570 3.709 3.647 4.053 . 0 0 "[ . 1 . 2]" 1
838 1 37 LYS HB2 1 40 ASP H . . 3.730 2.702 2.590 3.188 . 0 0 "[ . 1 . 2]" 1
839 1 37 LYS HB2 1 44 ALA MB . . 4.390 3.492 3.395 3.668 . 0 0 "[ . 1 . 2]" 1
840 1 37 LYS HB3 1 37 LYS HE2 . . 4.910 4.712 4.508 4.831 . 0 0 "[ . 1 . 2]" 1
841 1 37 LYS HB3 1 37 LYS HE3 . . 4.910 4.047 3.894 4.876 . 0 0 "[ . 1 . 2]" 1
842 1 37 LYS HB3 1 38 ASN H . . 4.660 4.389 4.152 4.430 . 0 0 "[ . 1 . 2]" 1
843 1 37 LYS HB3 1 39 TYR H . . 4.790 4.770 4.479 4.805 0.015 20 0 "[ . 1 . 2]" 1
844 1 37 LYS HB3 1 40 ASP H . . 4.210 3.348 2.897 3.463 . 0 0 "[ . 1 . 2]" 1
845 1 37 LYS HB3 1 43 ALA H . . 4.820 4.468 4.412 4.614 . 0 0 "[ . 1 . 2]" 1
846 1 37 LYS HB3 1 43 ALA MB . . 3.500 2.100 1.981 2.364 . 0 0 "[ . 1 . 2]" 1
847 1 37 LYS HB3 1 44 ALA MB . . 5.500 4.161 3.886 4.327 . 0 0 "[ . 1 . 2]" 1
848 1 37 LYS QE 1 47 THR HA . . 4.990 4.619 4.455 4.782 . 0 0 "[ . 1 . 2]" 1
849 1 37 LYS HE2 1 47 THR MG . . 3.900 2.906 2.342 3.290 . 0 0 "[ . 1 . 2]" 1
850 1 37 LYS HE3 1 47 THR MG . . 3.900 3.305 2.806 3.724 . 0 0 "[ . 1 . 2]" 1
851 1 37 LYS QG 1 40 ASP H . . 4.630 4.361 4.310 4.492 . 0 0 "[ . 1 . 2]" 1
852 1 37 LYS QG 1 43 ALA H . . 5.410 4.769 4.300 5.121 . 0 0 "[ . 1 . 2]" 1
853 1 37 LYS QG 1 43 ALA MB . . 3.710 2.463 1.847 2.809 . 0 0 "[ . 1 . 2]" 1
854 1 37 LYS QG 1 44 ALA HA . . 4.410 2.955 2.886 3.054 . 0 0 "[ . 1 . 2]" 1
855 1 38 ASN H 1 38 ASN HA . . 2.920 2.274 2.273 2.275 . 0 0 "[ . 1 . 2]" 1
856 1 38 ASN H 1 38 ASN HB2 . . 4.110 3.166 3.026 3.726 . 0 0 "[ . 1 . 2]" 1
857 1 38 ASN H 1 38 ASN QB . . 3.470 3.012 2.904 3.424 . 0 0 "[ . 1 . 2]" 1
858 1 38 ASN H 1 38 ASN HB3 . . 4.110 3.803 3.675 3.996 . 0 0 "[ . 1 . 2]" 1
859 1 38 ASN H 1 39 TYR H . . 3.490 2.711 2.686 2.776 . 0 0 "[ . 1 . 2]" 1
860 1 38 ASN H 1 39 TYR QD . . 5.120 5.142 5.117 5.165 0.045 8 0 "[ . 1 . 2]" 1
861 1 38 ASN H 1 39 TYR QE . . 5.500 5.680 5.632 5.711 0.211 15 0 "[ . 1 . 2]" 1
862 1 38 ASN H 1 40 ASP H . . 4.740 4.562 4.453 4.740 . 8 0 "[ . 1 . 2]" 1
863 1 38 ASN HA 1 39 TYR H . . 3.470 2.766 2.708 2.780 . 0 0 "[ . 1 . 2]" 1
864 1 38 ASN HA 1 39 TYR HA . . 5.060 4.783 4.756 4.800 . 0 0 "[ . 1 . 2]" 1
865 1 38 ASN HA 1 39 TYR QD . . 4.460 4.008 3.947 4.098 . 0 0 "[ . 1 . 2]" 1
866 1 38 ASN HA 1 39 TYR QE . . 5.080 4.471 4.414 4.590 . 0 0 "[ . 1 . 2]" 1
867 1 38 ASN HA 1 40 ASP H . . 5.250 5.061 4.955 5.176 . 0 0 "[ . 1 . 2]" 1
868 1 38 ASN QB 1 39 TYR H . . 4.040 3.901 3.881 3.943 . 0 0 "[ . 1 . 2]" 1
869 1 38 ASN HB2 1 39 TYR H . . 4.760 4.526 4.228 4.619 . 0 0 "[ . 1 . 2]" 1
870 1 38 ASN HB3 1 39 TYR H . . 4.760 4.276 4.222 4.518 . 0 0 "[ . 1 . 2]" 1
871 1 39 TYR H 1 39 TYR QB . . 3.620 3.395 3.373 3.404 . 0 0 "[ . 1 . 2]" 1
872 1 39 TYR H 1 39 TYR QD . . 3.770 3.074 2.955 3.114 . 0 0 "[ . 1 . 2]" 1
873 1 39 TYR H 1 39 TYR QE . . 4.740 4.401 4.318 4.430 . 0 0 "[ . 1 . 2]" 1
874 1 39 TYR H 1 40 ASP H . . 3.510 2.917 2.843 3.022 . 0 0 "[ . 1 . 2]" 1
875 1 39 TYR HA 1 39 TYR QD . . 3.650 2.411 2.349 2.476 . 0 0 "[ . 1 . 2]" 1
876 1 39 TYR HA 1 40 ASP HB2 . . 5.020 4.837 4.775 4.878 . 0 0 "[ . 1 . 2]" 1
877 1 39 TYR QB 1 41 ILE H . . 4.860 5.991 5.962 6.018 1.158 2 20 [*+*************-****] 1
878 1 39 TYR QB 1 41 ILE MD . . 4.320 4.312 4.214 4.389 0.069 1 0 "[ . 1 . 2]" 1
879 1 39 TYR QD 1 40 ASP H . . 5.180 4.713 4.668 4.745 . 0 0 "[ . 1 . 2]" 1
880 1 40 ASP H 1 40 ASP HB2 . . 3.140 2.328 2.291 2.356 . 0 0 "[ . 1 . 2]" 1
881 1 40 ASP H 1 40 ASP HB3 . . 3.490 3.439 3.409 3.458 . 0 0 "[ . 1 . 2]" 1
882 1 40 ASP H 1 41 ILE H . . 4.530 4.521 4.508 4.536 0.006 14 0 "[ . 1 . 2]" 1
883 1 40 ASP H 1 41 ILE QG . . 4.610 5.406 5.356 5.439 0.829 16 20 [*******-*******+****] 1
884 1 40 ASP H 1 43 ALA H . . 4.760 5.171 5.136 5.204 0.444 13 0 "[ . 1 . 2]" 1
885 1 40 ASP H 1 43 ALA MB . . 3.910 4.153 4.121 4.159 0.249 14 0 "[ . 1 . 2]" 1
886 1 40 ASP H 1 44 ALA H . . 5.070 4.885 4.752 4.970 . 0 0 "[ . 1 . 2]" 1
887 1 40 ASP HA 1 41 ILE HA . . 5.470 4.366 4.363 4.369 . 0 0 "[ . 1 . 2]" 1
888 1 40 ASP HA 1 41 ILE HB . . 4.570 4.937 4.895 4.948 0.378 20 0 "[ . 1 . 2]" 1
889 1 40 ASP HA 1 41 ILE MD . . 4.470 3.472 3.362 3.629 . 0 0 "[ . 1 . 2]" 1
890 1 40 ASP HA 1 41 ILE MG . . 5.500 5.365 5.356 5.388 . 0 0 "[ . 1 . 2]" 1
891 1 40 ASP HA 1 42 GLY H . . 4.510 4.016 3.967 4.073 . 0 0 "[ . 1 . 2]" 1
892 1 40 ASP HA 1 43 ALA MB . . 4.590 4.571 4.504 4.594 0.004 4 0 "[ . 1 . 2]" 1
893 1 40 ASP HB2 1 41 ILE H . . 4.190 4.174 4.157 4.194 0.004 11 0 "[ . 1 . 2]" 1
894 1 40 ASP HB2 1 43 ALA H . . 4.280 3.761 3.724 3.821 . 0 0 "[ . 1 . 2]" 1
895 1 40 ASP HB2 1 43 ALA MB . . 3.470 2.585 2.450 2.670 . 0 0 "[ . 1 . 2]" 1
896 1 40 ASP HB2 1 44 ALA H . . 4.760 4.286 4.208 4.426 . 0 0 "[ . 1 . 2]" 1
897 1 40 ASP HB3 1 41 ILE H . . 5.040 2.955 2.924 2.999 . 0 0 "[ . 1 . 2]" 1
898 1 40 ASP HB3 1 42 GLY H . . 4.750 3.102 3.035 3.198 . 0 0 "[ . 1 . 2]" 1
899 1 40 ASP HB3 1 43 ALA H . . 4.090 2.223 2.166 2.248 . 0 0 "[ . 1 . 2]" 1
900 1 40 ASP HB3 1 43 ALA MB . . 3.310 2.257 2.097 2.341 . 0 0 "[ . 1 . 2]" 1
901 1 40 ASP HB3 1 44 ALA H . . 4.930 3.418 3.345 3.453 . 0 0 "[ . 1 . 2]" 1
902 1 41 ILE H 1 41 ILE HB . . 3.800 2.771 2.732 2.787 . 0 0 "[ . 1 . 2]" 1
903 1 41 ILE H 1 41 ILE MD . . 3.590 2.987 2.905 3.089 . 0 0 "[ . 1 . 2]" 1
904 1 41 ILE H 1 41 ILE QG . . 3.750 2.164 2.142 2.192 . 0 0 "[ . 1 . 2]" 1
905 1 41 ILE H 1 41 ILE MG . . 4.060 3.843 3.837 3.848 . 0 0 "[ . 1 . 2]" 1
906 1 41 ILE H 1 42 GLY H . . 3.840 2.108 2.086 2.139 . 0 0 "[ . 1 . 2]" 1
907 1 41 ILE H 1 43 ALA H . . 4.500 3.563 3.528 3.601 . 0 0 "[ . 1 . 2]" 1
908 1 41 ILE HA 1 41 ILE MD . . 3.160 2.181 2.117 2.235 . 0 0 "[ . 1 . 2]" 1
909 1 41 ILE HA 1 41 ILE QG . . 3.530 3.143 3.109 3.164 . 0 0 "[ . 1 . 2]" 1
910 1 41 ILE HA 1 41 ILE MG . . 3.480 2.184 2.144 2.221 . 0 0 "[ . 1 . 2]" 1
911 1 41 ILE HA 1 44 ALA H . . 3.880 3.582 3.542 3.632 . 0 0 "[ . 1 . 2]" 1
912 1 41 ILE HA 1 44 ALA MB . . 3.270 3.006 2.937 3.092 . 0 0 "[ . 1 . 2]" 1
913 1 41 ILE HB 1 41 ILE MD . . 3.270 3.229 3.228 3.229 . 0 0 "[ . 1 . 2]" 1
914 1 41 ILE HB 1 42 GLY H . . 3.710 2.893 2.808 2.952 . 0 0 "[ . 1 . 2]" 1
915 1 41 ILE HB 1 42 GLY QA . . 4.220 3.789 3.768 3.830 . 0 0 "[ . 1 . 2]" 1
916 1 41 ILE HB 1 43 ALA H . . 4.500 4.950 4.886 5.008 0.508 8 2 "[ . + 1 . - 2]" 1
917 1 41 ILE MD 1 42 GLY H . . 4.420 4.392 4.350 4.448 0.028 8 0 "[ . 1 . 2]" 1
918 1 41 ILE QG 1 41 ILE MG . . 3.330 2.277 2.239 2.297 . 0 0 "[ . 1 . 2]" 1
919 1 41 ILE QG 1 42 GLY H . . 4.300 3.721 3.690 3.804 . 0 0 "[ . 1 . 2]" 1
920 1 41 ILE MG 1 42 GLY H . . 3.610 3.974 3.921 4.004 0.394 18 0 "[ . 1 . 2]" 1
921 1 41 ILE MG 1 42 GLY QA . . 3.770 3.949 3.893 3.975 0.205 14 0 "[ . 1 . 2]" 1
922 1 41 ILE MG 1 43 ALA H . . 5.500 5.051 5.002 5.089 . 0 0 "[ . 1 . 2]" 1
923 1 42 GLY H 1 43 ALA H . . 3.440 2.393 2.346 2.419 . 0 0 "[ . 1 . 2]" 1
924 1 42 GLY H 1 43 ALA MB . . 4.570 4.067 4.056 4.073 . 0 0 "[ . 1 . 2]" 1
925 1 42 GLY H 1 45 LEU H . . 5.500 4.847 4.824 4.871 . 0 0 "[ . 1 . 2]" 1
926 1 42 GLY H 1 45 LEU HB2 . . 5.500 5.162 5.070 5.371 . 0 0 "[ . 1 . 2]" 1
927 1 42 GLY QA 1 43 ALA MB . . 4.310 4.100 4.077 4.123 . 0 0 "[ . 1 . 2]" 1
928 1 42 GLY QA 1 45 LEU HB2 . . 4.210 2.800 2.716 2.987 . 0 0 "[ . 1 . 2]" 1
929 1 42 GLY QA 1 45 LEU QD . . 3.670 2.336 2.131 2.582 . 0 0 "[ . 1 . 2]" 1
930 1 42 GLY QA 1 45 LEU HG . . 5.340 3.889 3.793 3.968 . 0 0 "[ . 1 . 2]" 1
931 1 43 ALA H 1 43 ALA MB . . 2.990 2.275 2.212 2.326 . 0 0 "[ . 1 . 2]" 1
932 1 43 ALA H 1 44 ALA H . . 3.260 2.249 2.199 2.325 . 0 0 "[ . 1 . 2]" 1
933 1 43 ALA H 1 44 ALA MB . . 4.230 3.992 3.936 4.057 . 0 0 "[ . 1 . 2]" 1
934 1 43 ALA H 1 45 LEU H . . 4.460 3.628 3.576 3.736 . 0 0 "[ . 1 . 2]" 1
935 1 43 ALA HA 1 45 LEU H . . 4.660 3.941 3.856 4.074 . 0 0 "[ . 1 . 2]" 1
936 1 43 ALA HA 1 46 ASP H . . 4.110 3.776 3.652 3.837 . 0 0 "[ . 1 . 2]" 1
937 1 43 ALA HA 1 46 ASP QB . . 3.750 3.698 3.435 3.781 0.031 14 0 "[ . 1 . 2]" 1
938 1 43 ALA MB 1 44 ALA H . . 3.290 2.735 2.652 2.852 . 0 0 "[ . 1 . 2]" 1
939 1 43 ALA MB 1 44 ALA HA . . 3.960 3.855 3.760 3.911 . 0 0 "[ . 1 . 2]" 1
940 1 43 ALA MB 1 44 ALA MB . . 3.960 3.692 3.616 3.737 . 0 0 "[ . 1 . 2]" 1
941 1 43 ALA MB 1 45 LEU H . . 4.550 4.335 4.267 4.416 . 0 0 "[ . 1 . 2]" 1
942 1 43 ALA MB 1 46 ASP QB . . 4.270 4.739 4.497 4.810 0.540 20 10 "[ -.** *1 **** *+]" 1
943 1 43 ALA MB 1 47 THR H . . 5.400 5.978 5.853 6.240 0.840 1 19 [+***.********-******] 1
944 1 44 ALA H 1 44 ALA MB . . 3.070 2.237 2.160 2.290 . 0 0 "[ . 1 . 2]" 1
945 1 44 ALA H 1 45 LEU H . . 3.620 2.422 2.343 2.515 . 0 0 "[ . 1 . 2]" 1
946 1 44 ALA H 1 45 LEU HB2 . . 4.850 4.341 4.271 4.491 . 0 0 "[ . 1 . 2]" 1
947 1 44 ALA H 1 45 LEU QD . . 4.510 4.719 4.605 4.796 0.286 13 0 "[ . 1 . 2]" 1
948 1 44 ALA HA 1 46 ASP H . . 4.360 3.743 3.686 3.858 . 0 0 "[ . 1 . 2]" 1
949 1 44 ALA HA 1 47 THR H . . 4.030 3.689 3.545 4.130 0.100 1 0 "[ . 1 . 2]" 1
950 1 44 ALA HA 1 47 THR HB . . 4.400 3.046 2.936 3.135 . 0 0 "[ . 1 . 2]" 1
951 1 44 ALA HA 1 47 THR MG . . 4.700 3.817 3.736 3.932 . 0 0 "[ . 1 . 2]" 1
952 1 44 ALA HA 1 48 ILE QG . . 4.750 5.044 4.946 5.069 0.319 1 0 "[ . 1 . 2]" 1
953 1 44 ALA MB 1 45 LEU H . . 3.480 3.016 2.866 3.095 . 0 0 "[ . 1 . 2]" 1
954 1 44 ALA MB 1 46 ASP H . . 4.370 4.446 4.378 4.555 0.185 16 0 "[ . 1 . 2]" 1
955 1 44 ALA MB 1 47 THR HB . . 4.720 3.898 3.777 4.026 . 0 0 "[ . 1 . 2]" 1
956 1 45 LEU H 1 45 LEU HB2 . . 3.520 2.190 2.165 2.244 . 0 0 "[ . 1 . 2]" 1
957 1 45 LEU H 1 45 LEU HB3 . . 4.110 3.497 3.476 3.531 . 0 0 "[ . 1 . 2]" 1
958 1 45 LEU H 1 45 LEU QD . . 3.470 3.394 3.329 3.440 . 0 0 "[ . 1 . 2]" 1
959 1 45 LEU H 1 45 LEU HG . . 4.480 2.988 2.808 3.091 . 0 0 "[ . 1 . 2]" 1
960 1 45 LEU H 1 46 ASP H . . 3.710 2.469 2.430 2.555 . 0 0 "[ . 1 . 2]" 1
961 1 45 LEU H 1 46 ASP QB . . 4.830 4.239 4.168 4.350 . 0 0 "[ . 1 . 2]" 1
962 1 45 LEU H 1 47 THR H . . 4.920 4.193 4.103 4.616 . 0 0 "[ . 1 . 2]" 1
963 1 45 LEU HA 1 45 LEU QD . . 3.280 2.159 1.986 2.325 . 0 0 "[ . 1 . 2]" 1
964 1 45 LEU HA 1 45 LEU HG . . 3.830 2.711 2.645 2.808 . 0 0 "[ . 1 . 2]" 1
965 1 45 LEU HA 1 48 ILE H . . 4.700 5.034 4.737 5.104 0.404 20 0 "[ . 1 . 2]" 1
966 1 45 LEU HA 1 48 ILE MD . . 3.860 2.361 2.194 2.430 . 0 0 "[ . 1 . 2]" 1
967 1 45 LEU HB2 1 46 ASP H . . 3.800 3.189 3.120 3.253 . 0 0 "[ . 1 . 2]" 1
968 1 45 LEU HB3 1 46 ASP H . . 4.150 3.732 3.612 3.835 . 0 0 "[ . 1 . 2]" 1
969 1 45 LEU QD 1 46 ASP H . . 4.310 4.315 4.269 4.353 0.043 11 0 "[ . 1 . 2]" 1
970 1 46 ASP H 1 46 ASP HB2 . . 3.970 2.434 2.382 2.547 . 0 0 "[ . 1 . 2]" 1
971 1 46 ASP H 1 46 ASP QB . . 3.290 2.357 2.313 2.420 . 0 0 "[ . 1 . 2]" 1
972 1 46 ASP H 1 46 ASP HB3 . . 3.970 3.149 3.022 3.172 . 0 0 "[ . 1 . 2]" 1
973 1 46 ASP H 1 47 THR H . . 3.550 2.570 2.478 2.909 . 0 0 "[ . 1 . 2]" 1
974 1 46 ASP H 1 48 ILE H . . 4.030 4.591 4.507 4.747 0.717 1 19 "[+***-** ************]" 1
975 1 46 ASP H 1 48 ILE QG . . 4.510 5.276 5.172 5.425 0.915 16 20 [**********-****+****] 1
976 1 46 ASP HA 1 48 ILE H . . 4.530 3.323 3.291 3.433 . 0 0 "[ . 1 . 2]" 1
977 1 46 ASP HA 1 49 GLN H . . 4.510 3.605 3.471 3.885 . 0 0 "[ . 1 . 2]" 1
978 1 46 ASP HA 1 49 GLN QB . . 4.480 4.105 3.810 4.342 . 0 0 "[ . 1 . 2]" 1
979 1 46 ASP HA 1 49 GLN QG . . 4.100 2.715 2.465 3.198 . 0 0 "[ . 1 . 2]" 1
980 1 46 ASP HB2 1 47 THR H . . 4.540 4.296 4.252 4.518 . 0 0 "[ . 1 . 2]" 1
981 1 46 ASP HB3 1 47 THR H . . 4.540 4.089 4.048 4.225 . 0 0 "[ . 1 . 2]" 1
982 1 47 THR H 1 47 THR HB . . 3.530 2.798 2.783 2.900 . 0 0 "[ . 1 . 2]" 1
983 1 47 THR H 1 47 THR MG . . 3.870 3.888 3.875 3.955 0.085 1 0 "[ . 1 . 2]" 1
984 1 47 THR H 1 48 ILE H . . 3.440 2.324 1.976 2.419 . 0 0 "[ . 1 . 2]" 1
985 1 47 THR H 1 48 ILE QG . . 4.120 3.213 3.055 3.300 . 0 0 "[ . 1 . 2]" 1
986 1 47 THR H 1 49 GLN QG . . 4.820 4.475 3.978 4.671 . 0 0 "[ . 1 . 2]" 1
987 1 47 THR HA 1 47 THR MG . . 3.070 2.137 2.124 2.163 . 0 0 "[ . 1 . 2]" 1
988 1 47 THR HA 1 48 ILE HA . . 4.690 4.496 4.484 4.537 . 0 0 "[ . 1 . 2]" 1
989 1 47 THR HA 1 48 ILE MD . . 4.970 4.194 4.159 4.293 . 0 0 "[ . 1 . 2]" 1
990 1 47 THR HA 1 48 ILE QG . . 4.950 4.494 4.469 4.581 . 0 0 "[ . 1 . 2]" 1
991 1 47 THR HA 1 48 ILE MG . . 4.870 5.754 5.740 5.799 0.929 8 20 [****-**+************] 1
992 1 47 THR HB 1 48 ILE H . . 3.900 3.839 3.685 3.892 . 0 0 "[ . 1 . 2]" 1
993 1 47 THR MG 1 48 ILE H . . 4.370 4.268 4.238 4.274 . 0 0 "[ . 1 . 2]" 1
994 1 47 THR MG 1 48 ILE HA . . 5.040 4.278 4.252 4.296 . 0 0 "[ . 1 . 2]" 1
995 1 47 THR MG 1 48 ILE QG . . 5.320 4.110 4.011 4.203 . 0 0 "[ . 1 . 2]" 1
996 1 47 THR MG 1 48 ILE MG . . 4.480 5.062 5.039 5.085 0.605 1 20 [+**************-****] 1
997 1 47 THR MG 1 49 GLN H . . 5.080 5.492 5.431 5.508 0.428 12 0 "[ . 1 . 2]" 1
998 1 47 THR MG 1 50 TYR H . . 5.500 5.282 5.131 5.402 . 0 0 "[ . 1 . 2]" 1
999 1 47 THR MG 1 51 SER QB . . 4.180 3.310 1.932 5.968 1.788 4 2 "[- +. 1 . 2]" 1
1000 1 48 ILE H 1 48 ILE HB . . 3.770 2.972 2.943 2.983 . 0 0 "[ . 1 . 2]" 1
1001 1 48 ILE H 1 48 ILE MD . . 3.340 2.133 2.022 2.158 . 0 0 "[ . 1 . 2]" 1
1002 1 48 ILE H 1 48 ILE QG . . 4.350 2.710 2.598 2.733 . 0 0 "[ . 1 . 2]" 1
1003 1 48 ILE H 1 48 ILE MG . . 3.560 3.894 3.856 3.902 0.342 9 0 "[ . 1 . 2]" 1
1004 1 48 ILE H 1 49 GLN QG . . 4.300 3.226 2.882 3.502 . 0 0 "[ . 1 . 2]" 1
1005 1 48 ILE HA 1 48 ILE MD . . 3.560 3.660 3.657 3.666 0.106 8 0 "[ . 1 . 2]" 1
1006 1 48 ILE HA 1 48 ILE MG . . 3.320 2.083 2.010 2.153 . 0 0 "[ . 1 . 2]" 1
1007 1 48 ILE HA 1 49 GLN QG . . 5.170 5.153 4.715 5.266 0.096 14 0 "[ . 1 . 2]" 1
1008 1 48 ILE HA 1 50 TYR H . . 4.800 4.206 3.696 4.565 . 0 0 "[ . 1 . 2]" 1
1009 1 48 ILE HB 1 48 ILE MD . . 3.300 2.094 2.084 2.122 . 0 0 "[ . 1 . 2]" 1
1010 1 48 ILE MD 1 48 ILE MG . . 3.360 3.139 3.137 3.147 . 0 0 "[ . 1 . 2]" 1
1011 1 48 ILE MD 1 49 GLN H . . 3.810 2.940 2.784 3.019 . 0 0 "[ . 1 . 2]" 1
1012 1 48 ILE MD 1 49 GLN HA . . 3.880 4.691 4.669 4.700 0.820 16 20 [-**************+****] 1
1013 1 48 ILE MD 1 50 TYR H . . 4.980 5.232 5.111 5.300 0.320 12 0 "[ . 1 . 2]" 1
1014 1 48 ILE QG 1 48 ILE MG . . 3.050 2.007 1.951 2.060 . 0 0 "[ . 1 . 2]" 1
1015 1 48 ILE MG 1 49 GLN H . . 4.670 4.081 4.036 4.121 . 0 0 "[ . 1 . 2]" 1
1016 1 48 ILE MG 1 49 GLN HA . . 5.500 4.410 4.375 4.492 . 0 0 "[ . 1 . 2]" 1
1017 1 49 GLN H 1 49 GLN HB2 . . 3.820 2.733 2.562 3.581 . 0 0 "[ . 1 . 2]" 1
1018 1 49 GLN H 1 49 GLN QB . . 3.150 2.580 2.510 2.633 . 0 0 "[ . 1 . 2]" 1
1019 1 49 GLN H 1 49 GLN HB3 . . 3.820 3.499 2.702 3.592 . 0 0 "[ . 1 . 2]" 1
1020 1 49 GLN H 1 49 GLN QG . . 3.230 1.994 1.921 2.296 . 0 0 "[ . 1 . 2]" 1
1021 1 49 GLN HA 1 49 GLN QG . . 3.710 2.923 2.391 3.316 . 0 0 "[ . 1 . 2]" 1
1022 1 49 GLN HA 1 50 TYR H . . 3.570 3.545 3.481 3.567 . 0 0 "[ . 1 . 2]" 1
1023 1 49 GLN HA 1 50 TYR HB3 . . 4.910 4.603 4.488 4.925 0.015 16 0 "[ . 1 . 2]" 1
1024 1 49 GLN HA 1 50 TYR QD . . 4.000 4.350 3.553 4.494 0.494 6 0 "[ . 1 . 2]" 1
1025 1 49 GLN QB 1 50 TYR H . . 3.470 2.539 2.254 3.291 . 0 0 "[ . 1 . 2]" 1
1026 1 49 GLN QB 1 50 TYR HA . . 5.090 4.450 4.322 4.770 . 0 0 "[ . 1 . 2]" 1
1027 1 49 GLN QB 1 50 TYR QD . . 3.550 2.284 1.998 2.406 . 0 0 "[ . 1 . 2]" 1
1028 1 49 GLN QB 1 50 TYR QE . . 3.780 3.436 2.641 3.772 . 0 0 "[ . 1 . 2]" 1
1029 1 49 GLN QG 1 50 TYR H . . 4.870 3.696 1.935 4.112 . 0 0 "[ . 1 . 2]" 1
1030 1 49 GLN QG 1 50 TYR QD . . 4.370 3.924 2.417 4.153 . 0 0 "[ . 1 . 2]" 1
1031 1 49 GLN QG 1 50 TYR QE . . 4.400 4.386 3.266 4.643 0.243 17 0 "[ . 1 . 2]" 1
1032 1 50 TYR H 1 50 TYR HB2 . . 4.180 4.039 3.912 4.078 . 0 0 "[ . 1 . 2]" 1
1033 1 50 TYR H 1 50 TYR HB3 . . 3.840 3.431 3.341 3.622 . 0 0 "[ . 1 . 2]" 1
1034 1 50 TYR H 1 50 TYR QD . . 3.830 3.192 2.821 3.419 . 0 0 "[ . 1 . 2]" 1
1035 1 50 TYR H 1 51 SER HA . . 4.610 4.891 3.945 5.115 0.505 3 1 "[ + . 1 . 2]" 1
1036 1 50 TYR HA 1 50 TYR QD . . 3.900 3.729 3.719 3.741 . 0 0 "[ . 1 . 2]" 1
1037 1 50 TYR HB2 1 51 SER H . . 4.480 3.128 2.017 3.746 . 0 0 "[ . 1 . 2]" 1
1038 1 50 TYR HB3 1 51 SER H . . 4.240 4.087 3.549 4.242 0.002 17 0 "[ . 1 . 2]" 1
1039 1 50 TYR QD 1 51 SER H . . 4.010 3.477 2.246 3.967 . 0 0 "[ . 1 . 2]" 1
1040 1 50 TYR QD 1 51 SER HA . . 3.890 3.348 3.044 3.940 0.050 18 0 "[ . 1 . 2]" 1
1041 1 50 TYR QE 1 51 SER HA . . 4.470 4.579 4.026 4.897 0.427 4 0 "[ . 1 . 2]" 1
1042 1 50 TYR QE 1 51 SER QB . . 4.660 5.070 3.834 5.360 0.700 17 17 "[***-****** *** +***]" 1
1043 1 51 SER H 1 51 SER QB . . 3.420 3.008 2.147 3.423 0.003 19 0 "[ . 1 . 2]" 1
1044 1 51 SER QB 1 52 LYS H . . 4.270 2.308 1.959 2.700 . 0 0 "[ . 1 . 2]" 1
1045 1 51 SER QB 1 52 LYS HA . . 4.330 4.246 3.890 4.364 0.034 17 0 "[ . 1 . 2]" 1
1046 1 51 SER QB 1 52 LYS QB . . 4.560 3.788 3.081 4.582 0.022 17 0 "[ . 1 . 2]" 1
1047 1 51 SER QB 1 52 LYS QG . . 4.490 3.955 2.455 4.517 0.027 17 0 "[ . 1 . 2]" 1
1048 1 51 SER QB 1 53 HIS H . . 4.460 3.925 2.868 4.212 . 0 0 "[ . 1 . 2]" 1
1049 1 52 LYS H 1 52 LYS QB . . 3.580 2.419 2.081 2.704 . 0 0 "[ . 1 . 2]" 1
1050 1 52 LYS H 1 52 LYS QG . . 4.270 3.206 2.450 4.053 . 0 0 "[ . 1 . 2]" 1
1051 1 52 LYS H 1 53 HIS H . . 4.150 2.199 1.899 2.539 . 0 0 "[ . 1 . 2]" 1
1052 1 52 LYS H 1 53 HIS HA . . 4.690 4.745 4.441 4.942 0.252 15 0 "[ . 1 . 2]" 1
1053 1 52 LYS HA 1 52 LYS QD . . 3.180 2.841 2.156 3.485 0.305 20 0 "[ . 1 . 2]" 1
1054 1 52 LYS HA 1 52 LYS QG . . 3.680 2.431 2.027 3.431 . 0 0 "[ . 1 . 2]" 1
1055 1 52 LYS QB 1 53 HIS H . . 3.560 2.649 2.001 3.574 0.014 20 0 "[ . 1 . 2]" 1
1056 1 52 LYS QB 1 53 HIS HA . . 4.820 4.064 3.783 4.633 . 0 0 "[ . 1 . 2]" 1
1057 1 52 LYS HB2 1 53 HIS H . . 4.080 2.854 2.022 4.159 0.079 20 0 "[ . 1 . 2]" 1
1058 1 52 LYS HB3 1 53 HIS H . . 4.080 3.362 2.795 3.967 . 0 0 "[ . 1 . 2]" 1
1059 1 52 LYS QE 1 52 LYS QG . . 3.320 2.161 1.963 2.353 . 0 0 "[ . 1 . 2]" 1
1060 1 52 LYS HG2 1 53 HIS H . . 5.500 4.681 3.938 5.154 . 0 0 "[ . 1 . 2]" 1
1061 1 52 LYS HG3 1 53 HIS H . . 5.500 4.690 2.217 5.399 . 0 0 "[ . 1 . 2]" 1
1062 1 53 HIS H 1 53 HIS HA . . 2.900 2.802 2.277 2.948 0.048 8 0 "[ . 1 . 2]" 1
1063 1 53 HIS H 1 53 HIS HB2 . . 4.050 2.925 2.114 3.796 . 0 0 "[ . 1 . 2]" 1
1064 1 53 HIS H 1 53 HIS QB . . 3.270 2.609 2.093 3.182 . 0 0 "[ . 1 . 2]" 1
1065 1 53 HIS H 1 53 HIS HB3 . . 4.050 3.277 2.489 3.738 . 0 0 "[ . 1 . 2]" 1
1066 1 53 HIS H 1 53 HIS HD2 . . 4.910 3.779 1.949 4.990 0.080 7 0 "[ . 1 . 2]" 1
1067 1 53 HIS HA 1 53 HIS HD2 . . 4.240 3.375 2.180 4.242 0.002 5 0 "[ . 1 . 2]" 1
1068 1 53 HIS QB 1 53 HIS HD2 . . 3.460 2.993 2.668 3.291 . 0 0 "[ . 1 . 2]" 1
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