NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
612672 |
5u3h   |
30205 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5u3h
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 1597
_Distance_constraint_stats_list.Viol_count 681
_Distance_constraint_stats_list.Viol_total 4369.453
_Distance_constraint_stats_list.Viol_max 0.984
_Distance_constraint_stats_list.Viol_rms 0.0560
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0068
_Distance_constraint_stats_list.Viol_average_violations_only 0.3208
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLU 0.035 0.035 17 0 "[ . 1 . 2]"
1 16 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ASN 0.045 0.045 17 0 "[ . 1 . 2]"
1 20 ALA 0.072 0.072 17 0 "[ . 1 . 2]"
1 21 GLU 0.133 0.072 17 0 "[ . 1 . 2]"
1 22 ALA 0.871 0.513 4 1 "[ +. 1 . 2]"
1 23 ASP 6.201 0.481 7 0 "[ . 1 . 2]"
1 24 LEU 11.511 0.513 4 1 "[ +. 1 . 2]"
1 25 PRO 4.773 0.679 16 2 "[ . 1 .+- 2]"
1 26 GLN 9.933 0.645 5 14 "[* **+***** *-*.* *]"
1 27 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ASP 1.887 0.405 13 0 "[ . 1 . 2]"
1 29 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLU 13.145 0.645 5 14 "[* **+***** *-*.* *]"
1 31 LYS 0.507 0.175 1 0 "[ . 1 . 2]"
1 32 GLN 0.339 0.056 9 0 "[ . 1 . 2]"
1 33 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ALA 7.901 0.483 12 0 "[ . 1 . 2]"
1 36 LEU 7.799 0.473 8 0 "[ . 1 . 2]"
1 37 TRP 14.636 0.593 7 4 "[ .*+- 1 * . 2]"
1 38 GLN 15.391 0.661 8 5 "[ . + 1** -* 2]"
1 39 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 LEU 10.142 0.577 18 13 "[* **-** * * *.**+*2]"
1 41 LEU 0.170 0.071 11 0 "[ . 1 . 2]"
1 42 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 THR 0.304 0.118 7 0 "[ . 1 . 2]"
1 44 GLY 7.490 0.661 8 5 "[ . + 1** -* 2]"
1 45 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 VAL 0.158 0.065 9 0 "[ . 1 . 2]"
1 47 THR 3.201 0.679 16 2 "[ . 1 .+- 2]"
1 48 ARG 0.366 0.366 3 0 "[ . 1 . 2]"
1 49 GLU 17.296 0.945 7 13 "[** *. + *1 * *-*****]"
1 50 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ASP 3.693 0.693 14 3 "[ . 1 - +* 2]"
1 52 PHE 0.704 0.235 18 0 "[ . 1 . 2]"
1 53 PHE 4.932 0.403 4 0 "[ . 1 . 2]"
1 54 GLN 2.188 0.357 15 0 "[ . 1 . 2]"
1 55 GLN 5.783 0.403 4 0 "[ . 1 . 2]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 GLY 2.607 0.357 15 0 "[ . 1 . 2]"
1 58 ASP 0.704 0.235 18 0 "[ . 1 . 2]"
1 59 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LEU 10.075 0.661 10 14 "[* ***** + *- ** ***]"
1 61 LEU 6.176 0.459 15 0 "[ . 1 . 2]"
1 62 ALA 0.145 0.145 14 0 "[ . 1 . 2]"
1 63 THR 10.075 0.661 10 14 "[* ***** + *- ** ***]"
1 64 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 LEU 9.005 0.426 9 0 "[ . 1 . 2]"
1 66 THR 11.581 0.523 15 2 "[ . 1 + - 2]"
1 67 GLY 21.181 0.984 7 20 [******+-************]
1 68 GLN 0.149 0.090 20 0 "[ . 1 . 2]"
1 69 LEU 7.065 0.415 16 0 "[ . 1 . 2]"
1 70 HIS 2.809 0.487 4 0 "[ . 1 . 2]"
1 71 GLN 12.308 0.446 16 0 "[ . 1 . 2]"
1 72 ALA 7.303 0.446 16 0 "[ . 1 . 2]"
1 73 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 TYR 7.645 0.761 9 5 "[ . -+1* .* *2]"
1 75 GLU 1.362 0.661 7 2 "[ . + 1 . -2]"
1 76 ALA 35.665 0.984 7 20 [******+-************]
1 77 GLN 0.305 0.207 11 0 "[ . 1 . 2]"
1 78 LEU 13.030 0.667 8 9 "[* * . +*1 *** * -2]"
1 79 SER 3.205 0.575 19 2 "[ - . 1 . +2]"
1 80 ASP 8.535 0.886 17 3 "[ . 1* * . + 2]"
1 81 LEU 2.728 0.588 19 2 "[ - . 1 . +2]"
1 82 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ASN 10.528 0.703 13 9 "[* * . **1 +** * -2]"
1 84 HIS 5.375 0.886 17 3 "[ . 1* * . + 2]"
1 85 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ARG 21.730 0.945 7 13 "[** *. + *1 - *******]"
1 87 LEU 13.942 0.662 3 5 "[ + .**- 1 * . 2]"
1 88 ALA 1.070 0.253 14 0 "[ . 1 . 2]"
1 89 ASP 2.396 0.330 20 0 "[ . 1 . 2]"
1 90 PHE 7.065 0.662 3 1 "[ + . 1 . 2]"
1 91 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ALA 2.005 0.330 20 0 "[ . 1 . 2]"
1 93 THR 0.428 0.428 2 0 "[ . 1 . 2]"
1 94 LEU 0.191 0.191 1 0 "[ . 1 . 2]"
1 95 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 LYS 2.063 0.688 8 2 "[ . + - . 2]"
1 97 THR 6.312 0.661 7 8 "[ *. +* * * .* -*]"
1 98 ASP 2.063 0.688 8 2 "[ . + - . 2]"
1 99 VAL 4.949 0.628 20 6 "[ -. * * * .* +]"
1 100 PRO 0.008 0.008 8 0 "[ . 1 . 2]"
1 101 VAL 0.008 0.008 8 0 "[ . 1 . 2]"
1 102 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 PHE 0.575 0.298 6 0 "[ . 1 . 2]"
1 106 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 ILE HB 1 5 TYR QD . . 9.130 5.573 3.688 7.040 . 0 0 "[ . 1 . 2]" 1
2 1 3 ILE HB 1 5 TYR QE . . 9.130 5.908 2.888 8.971 . 0 0 "[ . 1 . 2]" 1
3 1 3 ILE MD 1 5 TYR QD . . 10.150 5.157 2.980 7.391 . 0 0 "[ . 1 . 2]" 1
4 1 3 ILE MG 1 4 ASP H . . 7.910 3.694 2.599 4.345 . 0 0 "[ . 1 . 2]" 1
5 1 3 ILE MG 1 4 ASP HA . . 8.020 4.820 3.850 5.842 . 0 0 "[ . 1 . 2]" 1
6 1 3 ILE MG 1 5 TYR HA . . 8.020 4.810 2.914 6.640 . 0 0 "[ . 1 . 2]" 1
7 1 3 ILE MG 1 5 TYR QD . . 10.150 4.489 3.381 6.951 . 0 0 "[ . 1 . 2]" 1
8 1 3 ILE MG 1 5 TYR QE . . 10.150 4.758 2.733 7.865 . 0 0 "[ . 1 . 2]" 1
9 1 4 ASP HA 1 7 ALA MB . . 8.020 4.774 3.926 6.461 . 0 0 "[ . 1 . 2]" 1
10 1 4 ASP QB 1 7 ALA MB . . 5.940 2.738 1.726 4.699 . 0 0 "[ . 1 . 2]" 1
11 1 6 GLN H 1 7 ALA H . . 4.630 2.647 2.280 2.972 . 0 0 "[ . 1 . 2]" 1
12 1 6 GLN QB 1 7 ALA H . . 7.220 2.894 2.237 3.804 . 0 0 "[ . 1 . 2]" 1
13 1 7 ALA MB 1 8 LEU H . . 6.200 2.823 2.270 3.183 . 0 0 "[ . 1 . 2]" 1
14 1 9 LYS H 1 9 LYS QB . . 3.440 2.559 2.262 3.072 . 0 0 "[ . 1 . 2]" 1
15 1 9 LYS QB 1 9 LYS QD . . 3.370 2.341 2.158 2.478 . 0 0 "[ . 1 . 2]" 1
16 1 10 ARG QB 1 10 ARG QG . . 2.320 2.028 2.001 2.108 . 0 0 "[ . 1 . 2]" 1
17 1 13 THR HB 1 14 PRO QD . . 5.490 3.841 2.013 4.524 . 0 0 "[ . 1 . 2]" 1
18 1 15 GLU H 1 15 GLU HB2 . . 4.080 2.863 2.422 3.564 . 0 0 "[ . 1 . 2]" 1
19 1 15 GLU H 1 15 GLU HB3 . . 4.080 3.309 2.475 4.115 0.035 17 0 "[ . 1 . 2]" 1
20 1 15 GLU HB2 1 16 ALA H . . 5.460 3.850 2.050 4.618 . 0 0 "[ . 1 . 2]" 1
21 1 15 GLU HB3 1 16 ALA H . . 5.460 3.645 2.011 4.496 . 0 0 "[ . 1 . 2]" 1
22 1 15 GLU QG 1 16 ALA H . . 7.880 3.619 2.165 4.968 . 0 0 "[ . 1 . 2]" 1
23 1 16 ALA MB 1 17 GLU H . . 5.490 2.546 1.851 3.761 . 0 0 "[ . 1 . 2]" 1
24 1 16 ALA MB 1 18 ASN H . . 8.020 5.010 2.623 6.254 . 0 0 "[ . 1 . 2]" 1
25 1 17 GLU QG 1 18 ASN H . . 7.880 3.475 1.635 4.515 . 0 0 "[ . 1 . 2]" 1
26 1 18 ASN QB 1 21 GLU H . . 6.230 4.890 3.382 6.275 0.045 17 0 "[ . 1 . 2]" 1
27 1 20 ALA H 1 21 GLU H . . 3.590 2.563 1.747 3.662 0.072 17 0 "[ . 1 . 2]" 1
28 1 20 ALA H 1 23 ASP QB . . 5.670 3.675 2.132 4.800 . 0 0 "[ . 1 . 2]" 1
29 1 20 ALA MB 1 21 GLU H . . 5.050 2.546 1.949 3.697 . 0 0 "[ . 1 . 2]" 1
30 1 21 GLU H 1 21 GLU QB . . 3.690 2.578 2.236 3.296 . 0 0 "[ . 1 . 2]" 1
31 1 21 GLU H 1 22 ALA H . . 4.630 3.118 1.751 4.573 . 0 0 "[ . 1 . 2]" 1
32 1 21 GLU QB 1 23 ASP H . . 5.130 4.432 3.782 5.091 . 0 0 "[ . 1 . 2]" 1
33 1 21 GLU HB2 1 22 ALA H . . 5.130 3.220 1.927 4.348 . 0 0 "[ . 1 . 2]" 1
34 1 21 GLU HB2 1 23 ASP H . . 5.840 4.987 3.951 5.595 . 0 0 "[ . 1 . 2]" 1
35 1 21 GLU HB3 1 22 ALA H . . 5.130 3.343 1.787 4.436 . 0 0 "[ . 1 . 2]" 1
36 1 21 GLU HB3 1 23 ASP H . . 5.840 5.119 3.914 5.856 0.016 18 0 "[ . 1 . 2]" 1
37 1 21 GLU QG 1 22 ALA H . . 7.880 3.639 1.869 4.399 . 0 0 "[ . 1 . 2]" 1
38 1 21 GLU QG 1 23 ASP H . . 7.880 5.219 4.025 6.020 . 0 0 "[ . 1 . 2]" 1
39 1 22 ALA H 1 23 ASP H . . 4.140 2.576 1.976 3.586 . 0 0 "[ . 1 . 2]" 1
40 1 22 ALA H 1 24 LEU H . . 4.800 4.344 3.537 5.313 0.513 4 1 "[ +. 1 . 2]" 1
41 1 22 ALA HA 1 24 LEU H . . 5.190 3.543 3.054 4.351 . 0 0 "[ . 1 . 2]" 1
42 1 22 ALA MB 1 23 ASP H . . 4.770 3.331 2.839 3.752 . 0 0 "[ . 1 . 2]" 1
43 1 22 ALA MB 1 23 ASP HA . . 6.810 4.185 3.918 4.391 . 0 0 "[ . 1 . 2]" 1
44 1 22 ALA MB 1 24 LEU H . . 5.760 4.387 3.917 4.824 . 0 0 "[ . 1 . 2]" 1
45 1 22 ALA MB 1 47 THR HB . . 7.800 6.767 6.372 7.172 . 0 0 "[ . 1 . 2]" 1
46 1 23 ASP H 1 24 LEU H . . 4.140 2.545 2.198 2.831 . 0 0 "[ . 1 . 2]" 1
47 1 23 ASP H 1 24 LEU HA . . 5.400 4.548 4.252 4.841 . 0 0 "[ . 1 . 2]" 1
48 1 23 ASP H 1 24 LEU HB2 . . 5.510 4.657 3.980 5.991 0.481 7 0 "[ . 1 . 2]" 1
49 1 23 ASP H 1 24 LEU QB . . 4.750 4.310 3.769 4.622 . 0 0 "[ . 1 . 2]" 1
50 1 23 ASP H 1 24 LEU HB3 . . 5.510 5.334 4.426 5.976 0.466 11 0 "[ . 1 . 2]" 1
51 1 23 ASP H 1 24 LEU MD1 . . 7.910 4.394 2.382 5.854 . 0 0 "[ . 1 . 2]" 1
52 1 23 ASP H 1 24 LEU QD . . 6.580 4.099 2.379 5.433 . 0 0 "[ . 1 . 2]" 1
53 1 23 ASP H 1 24 LEU MD2 . . 7.910 5.697 4.711 6.438 . 0 0 "[ . 1 . 2]" 1
54 1 23 ASP H 1 24 LEU HG . . 6.670 5.878 3.850 7.083 0.413 16 0 "[ . 1 . 2]" 1
55 1 23 ASP H 1 48 ARG QD . . 7.880 6.076 5.003 7.174 . 0 0 "[ . 1 . 2]" 1
56 1 23 ASP HA 1 25 PRO HA . . 7.000 6.138 5.737 6.632 . 0 0 "[ . 1 . 2]" 1
57 1 23 ASP HA 1 47 THR MG . . 7.520 4.817 4.337 5.303 . 0 0 "[ . 1 . 2]" 1
58 1 23 ASP HA 1 48 ARG QD . . 6.620 3.710 2.429 5.272 . 0 0 "[ . 1 . 2]" 1
59 1 23 ASP QB 1 47 THR HA . . 5.320 4.688 4.128 5.262 . 0 0 "[ . 1 . 2]" 1
60 1 23 ASP QB 1 47 THR HB . . 4.410 2.551 1.815 3.328 . 0 0 "[ . 1 . 2]" 1
61 1 23 ASP QB 1 47 THR MG . . 5.490 3.070 2.153 4.470 . 0 0 "[ . 1 . 2]" 1
62 1 23 ASP QB 1 48 ARG H . . 5.860 3.305 2.052 4.132 . 0 0 "[ . 1 . 2]" 1
63 1 23 ASP HB2 1 24 LEU H . . 5.290 4.128 3.526 4.566 . 0 0 "[ . 1 . 2]" 1
64 1 23 ASP HB2 1 47 THR MG . . 6.310 3.551 2.596 4.747 . 0 0 "[ . 1 . 2]" 1
65 1 23 ASP HB2 1 49 GLU H . . 7.000 4.281 2.534 5.743 . 0 0 "[ . 1 . 2]" 1
66 1 23 ASP HB3 1 24 LEU H . . 5.290 4.304 3.646 4.618 . 0 0 "[ . 1 . 2]" 1
67 1 23 ASP HB3 1 47 THR MG . . 6.310 3.849 2.169 5.452 . 0 0 "[ . 1 . 2]" 1
68 1 23 ASP HB3 1 49 GLU H . . 7.000 3.772 2.751 4.844 . 0 0 "[ . 1 . 2]" 1
69 1 24 LEU H 1 24 LEU HB2 . . 3.870 2.499 2.310 3.626 . 0 0 "[ . 1 . 2]" 1
70 1 24 LEU H 1 24 LEU HB3 . . 3.870 2.995 2.525 3.626 . 0 0 "[ . 1 . 2]" 1
71 1 24 LEU H 1 24 LEU QD . . 5.040 3.005 1.992 3.821 . 0 0 "[ . 1 . 2]" 1
72 1 24 LEU H 1 24 LEU HG . . 4.080 3.976 2.180 4.571 0.491 20 0 "[ . 1 . 2]" 1
73 1 24 LEU H 1 25 PRO HD2 . . 7.000 5.224 4.711 5.493 . 0 0 "[ . 1 . 2]" 1
74 1 24 LEU H 1 25 PRO HD3 . . 7.000 4.818 4.526 5.380 . 0 0 "[ . 1 . 2]" 1
75 1 24 LEU H 1 26 GLN QG . . 7.880 5.038 4.443 6.393 . 0 0 "[ . 1 . 2]" 1
76 1 24 LEU H 1 48 ARG QD . . 7.880 5.667 4.608 7.316 . 0 0 "[ . 1 . 2]" 1
77 1 24 LEU HA 1 47 THR HA . . 4.250 2.982 2.414 3.768 . 0 0 "[ . 1 . 2]" 1
78 1 24 LEU HA 1 47 THR HB . . 5.400 3.230 2.561 3.879 . 0 0 "[ . 1 . 2]" 1
79 1 24 LEU HA 1 47 THR MG . . 4.170 2.203 1.764 2.908 . 0 0 "[ . 1 . 2]" 1
80 1 24 LEU HA 1 48 ARG H . . 5.400 3.738 3.160 4.285 . 0 0 "[ . 1 . 2]" 1
81 1 24 LEU QD 1 25 PRO QD . . 4.540 2.699 1.687 3.500 . 0 0 "[ . 1 . 2]" 1
82 1 24 LEU QD 1 47 THR HA . . 6.280 4.296 3.183 5.290 . 0 0 "[ . 1 . 2]" 1
83 1 24 LEU QD 1 47 THR HB . . 7.120 4.500 3.474 5.500 . 0 0 "[ . 1 . 2]" 1
84 1 24 LEU MD1 1 25 PRO HD2 . . 6.310 3.411 1.694 5.081 . 0 0 "[ . 1 . 2]" 1
85 1 24 LEU MD1 1 25 PRO HD3 . . 6.310 3.822 2.393 5.185 . 0 0 "[ . 1 . 2]" 1
86 1 24 LEU MD2 1 25 PRO HD2 . . 6.310 3.918 2.412 4.604 . 0 0 "[ . 1 . 2]" 1
87 1 24 LEU MD2 1 25 PRO HD3 . . 6.310 4.790 3.689 5.587 . 0 0 "[ . 1 . 2]" 1
88 1 25 PRO HA 1 30 GLU HA . . 5.680 5.527 4.850 6.103 0.423 19 0 "[ . 1 . 2]" 1
89 1 25 PRO HA 1 47 THR HB . . 7.000 5.565 4.991 5.971 . 0 0 "[ . 1 . 2]" 1
90 1 25 PRO HA 1 48 ARG H . . 5.570 4.034 3.260 4.984 . 0 0 "[ . 1 . 2]" 1
91 1 25 PRO HA 1 48 ARG QD . . 7.000 4.515 2.767 6.051 . 0 0 "[ . 1 . 2]" 1
92 1 25 PRO HA 1 87 LEU QD . . 6.000 3.748 2.493 4.311 . 0 0 "[ . 1 . 2]" 1
93 1 25 PRO QB 1 87 LEU QD . . 4.230 2.426 1.975 2.886 . 0 0 "[ . 1 . 2]" 1
94 1 25 PRO HB2 1 47 THR HA . . 7.000 5.261 4.917 5.888 . 0 0 "[ . 1 . 2]" 1
95 1 25 PRO HB2 1 47 THR HB . . 7.000 7.073 6.521 7.679 0.679 16 2 "[ . 1 .+- 2]" 1
96 1 25 PRO HB2 1 87 LEU MD1 . . 5.930 4.436 3.793 5.420 . 0 0 "[ . 1 . 2]" 1
97 1 25 PRO HB2 1 87 LEU MD2 . . 5.930 3.666 2.534 4.672 . 0 0 "[ . 1 . 2]" 1
98 1 25 PRO HB3 1 47 THR HA . . 7.000 4.595 3.424 5.342 . 0 0 "[ . 1 . 2]" 1
99 1 25 PRO HB3 1 47 THR HB . . 7.000 6.290 5.017 7.109 0.109 2 0 "[ . 1 . 2]" 1
100 1 25 PRO HB3 1 87 LEU MD1 . . 5.930 3.581 2.850 4.144 . 0 0 "[ . 1 . 2]" 1
101 1 25 PRO HB3 1 87 LEU MD2 . . 5.930 2.562 2.075 3.234 . 0 0 "[ . 1 . 2]" 1
102 1 25 PRO QD 1 47 THR HA . . 5.650 1.884 1.649 2.292 . 0 0 "[ . 1 . 2]" 1
103 1 25 PRO QD 1 48 ARG H . . 5.860 3.353 2.551 4.134 . 0 0 "[ . 1 . 2]" 1
104 1 25 PRO QD 1 87 LEU QD . . 6.130 3.494 3.133 3.974 . 0 0 "[ . 1 . 2]" 1
105 1 25 PRO HD2 1 87 LEU MD1 . . 8.020 4.774 4.030 6.962 . 0 0 "[ . 1 . 2]" 1
106 1 25 PRO HD2 1 87 LEU MD2 . . 8.020 5.207 4.587 5.965 . 0 0 "[ . 1 . 2]" 1
107 1 25 PRO HD3 1 87 LEU MD1 . . 8.020 3.985 3.384 6.383 . 0 0 "[ . 1 . 2]" 1
108 1 25 PRO HD3 1 87 LEU MD2 . . 8.020 4.646 3.914 5.457 . 0 0 "[ . 1 . 2]" 1
109 1 25 PRO QG 1 34 ALA MB . . 5.070 1.986 1.680 2.368 . 0 0 "[ . 1 . 2]" 1
110 1 25 PRO QG 1 38 GLN QE . . 6.460 3.967 2.474 5.053 . 0 0 "[ . 1 . 2]" 1
111 1 25 PRO QG 1 47 THR HA . . 6.080 2.878 2.193 3.953 . 0 0 "[ . 1 . 2]" 1
112 1 25 PRO QG 1 47 THR HB . . 6.740 4.781 4.089 5.970 . 0 0 "[ . 1 . 2]" 1
113 1 25 PRO QG 1 87 LEU QD . . 4.750 2.423 1.777 3.312 . 0 0 "[ . 1 . 2]" 1
114 1 26 GLN H 1 26 GLN QB . . 3.540 2.692 2.509 3.269 . 0 0 "[ . 1 . 2]" 1
115 1 26 GLN H 1 27 GLY H . . 5.240 3.957 2.856 4.383 . 0 0 "[ . 1 . 2]" 1
116 1 26 GLN H 1 30 GLU H . . 5.190 5.665 5.020 5.835 0.645 5 14 "[* **+***** *-*.* *]" 1
117 1 26 GLN H 1 31 LYS H . . 5.900 5.477 4.758 6.075 0.175 1 0 "[ . 1 . 2]" 1
118 1 26 GLN H 1 48 ARG QD . . 7.220 4.850 3.055 6.341 . 0 0 "[ . 1 . 2]" 1
119 1 26 GLN HB2 1 27 GLY H . . 5.680 4.366 3.737 4.505 . 0 0 "[ . 1 . 2]" 1
120 1 26 GLN HB3 1 27 GLY H . . 5.680 3.847 2.953 4.647 . 0 0 "[ . 1 . 2]" 1
121 1 26 GLN HE21 1 48 ARG QD . . 7.880 4.751 2.419 7.217 . 0 0 "[ . 1 . 2]" 1
122 1 26 GLN HE22 1 48 ARG QD . . 7.880 5.276 1.519 7.238 . 0 0 "[ . 1 . 2]" 1
123 1 26 GLN QG 1 27 GLY H . . 7.880 4.389 4.118 4.897 . 0 0 "[ . 1 . 2]" 1
124 1 26 GLN QG 1 48 ARG QD . . 8.760 4.872 3.300 6.572 . 0 0 "[ . 1 . 2]" 1
125 1 27 GLY H 1 28 ASP H . . 4.800 4.268 4.059 4.444 . 0 0 "[ . 1 . 2]" 1
126 1 27 GLY H 1 31 LYS QE . . 7.880 5.428 2.478 7.576 . 0 0 "[ . 1 . 2]" 1
127 1 27 GLY QA 1 29 ILE H . . 5.190 3.655 3.436 3.975 . 0 0 "[ . 1 . 2]" 1
128 1 27 GLY QA 1 30 GLU H . . 5.030 3.398 3.180 4.046 . 0 0 "[ . 1 . 2]" 1
129 1 27 GLY HA2 1 30 GLU H . . 5.900 4.797 4.560 5.286 . 0 0 "[ . 1 . 2]" 1
130 1 27 GLY HA3 1 30 GLU H . . 5.900 3.477 3.239 4.200 . 0 0 "[ . 1 . 2]" 1
131 1 28 ASP H 1 28 ASP HB2 . . 4.140 2.559 2.398 2.730 . 0 0 "[ . 1 . 2]" 1
132 1 28 ASP H 1 28 ASP QB . . 3.640 2.382 2.209 2.569 . 0 0 "[ . 1 . 2]" 1
133 1 28 ASP H 1 28 ASP HB3 . . 4.140 3.108 2.420 3.663 . 0 0 "[ . 1 . 2]" 1
134 1 28 ASP H 1 29 ILE H . . 4.530 2.735 2.489 2.880 . 0 0 "[ . 1 . 2]" 1
135 1 28 ASP H 1 30 GLU H . . 4.080 4.101 3.628 4.485 0.405 13 0 "[ . 1 . 2]" 1
136 1 28 ASP H 1 31 LYS H . . 6.560 4.885 4.553 5.208 . 0 0 "[ . 1 . 2]" 1
137 1 28 ASP HA 1 29 ILE HA . . 4.960 4.766 4.662 4.807 . 0 0 "[ . 1 . 2]" 1
138 1 28 ASP HA 1 30 GLU H . . 6.170 4.649 4.423 5.010 . 0 0 "[ . 1 . 2]" 1
139 1 28 ASP HA 1 31 LYS QD . . 3.810 3.197 2.305 3.792 . 0 0 "[ . 1 . 2]" 1
140 1 28 ASP HA 1 31 LYS QE . . 7.880 4.127 1.754 5.804 . 0 0 "[ . 1 . 2]" 1
141 1 28 ASP QB 1 29 ILE HA . . 4.990 4.053 3.780 4.400 . 0 0 "[ . 1 . 2]" 1
142 1 28 ASP HB2 1 29 ILE H . . 4.630 3.173 2.351 4.002 . 0 0 "[ . 1 . 2]" 1
143 1 28 ASP HB3 1 29 ILE H . . 4.630 3.131 2.360 3.731 . 0 0 "[ . 1 . 2]" 1
144 1 29 ILE H 1 29 ILE HB . . 3.700 2.620 2.421 2.759 . 0 0 "[ . 1 . 2]" 1
145 1 29 ILE H 1 29 ILE MD . . 5.490 3.175 2.224 4.623 . 0 0 "[ . 1 . 2]" 1
146 1 29 ILE H 1 30 GLU H . . 4.250 2.509 2.290 2.656 . 0 0 "[ . 1 . 2]" 1
147 1 29 ILE H 1 30 GLU HA . . 6.400 5.144 4.913 5.281 . 0 0 "[ . 1 . 2]" 1
148 1 29 ILE HA 1 31 LYS H . . 7.000 4.483 4.233 4.723 . 0 0 "[ . 1 . 2]" 1
149 1 29 ILE HA 1 32 GLN QB . . 3.270 2.611 2.292 3.037 . 0 0 "[ . 1 . 2]" 1
150 1 29 ILE HA 1 32 GLN QG . . 5.690 4.235 3.625 4.937 . 0 0 "[ . 1 . 2]" 1
151 1 29 ILE HA 1 33 VAL QG . . 7.160 3.701 3.484 3.981 . 0 0 "[ . 1 . 2]" 1
152 1 29 ILE HA 1 74 TYR QD . . 9.130 5.685 4.945 6.248 . 0 0 "[ . 1 . 2]" 1
153 1 29 ILE HA 1 74 TYR QE . . 9.130 4.645 3.418 5.379 . 0 0 "[ . 1 . 2]" 1
154 1 29 ILE HA 1 91 ALA MB . . 6.970 4.480 4.230 5.251 . 0 0 "[ . 1 . 2]" 1
155 1 29 ILE HA 1 94 LEU MD1 . . 8.020 4.648 4.046 5.941 . 0 0 "[ . 1 . 2]" 1
156 1 29 ILE HA 1 94 LEU MD2 . . 8.020 7.079 5.362 7.417 . 0 0 "[ . 1 . 2]" 1
157 1 29 ILE HB 1 74 TYR QE . . 9.130 5.954 3.135 6.420 . 0 0 "[ . 1 . 2]" 1
158 1 29 ILE HB 1 94 LEU QD . . 6.950 4.482 4.086 4.974 . 0 0 "[ . 1 . 2]" 1
159 1 29 ILE MD 1 30 GLU H . . 6.760 4.634 4.189 4.791 . 0 0 "[ . 1 . 2]" 1
160 1 29 ILE MD 1 72 ALA MB . . 6.950 5.199 4.490 5.297 . 0 0 "[ . 1 . 2]" 1
161 1 29 ILE MD 1 74 TYR QD . . 10.150 3.682 2.889 4.214 . 0 0 "[ . 1 . 2]" 1
162 1 29 ILE MD 1 74 TYR QE . . 9.380 2.657 2.338 3.453 . 0 0 "[ . 1 . 2]" 1
163 1 29 ILE MD 1 94 LEU MD1 . . 9.040 3.803 1.836 5.294 . 0 0 "[ . 1 . 2]" 1
164 1 29 ILE MD 1 94 LEU MD2 . . 9.040 5.587 2.112 6.546 . 0 0 "[ . 1 . 2]" 1
165 1 29 ILE MD 1 95 ARG HA . . 7.530 6.242 5.012 6.870 . 0 0 "[ . 1 . 2]" 1
166 1 29 ILE MD 1 96 LYS QE . . 8.900 3.730 2.223 5.212 . 0 0 "[ . 1 . 2]" 1
167 1 29 ILE QG 1 30 GLU H . . 7.500 3.974 3.777 4.648 . 0 0 "[ . 1 . 2]" 1
168 1 29 ILE QG 1 74 TYR QD . . 10.010 5.017 3.170 5.551 . 0 0 "[ . 1 . 2]" 1
169 1 29 ILE QG 1 74 TYR QE . . 10.010 4.088 2.878 4.513 . 0 0 "[ . 1 . 2]" 1
170 1 29 ILE QG 1 94 LEU QD . . 8.670 4.337 3.375 4.952 . 0 0 "[ . 1 . 2]" 1
171 1 29 ILE MG 1 30 GLU H . . 5.270 3.585 2.442 3.921 . 0 0 "[ . 1 . 2]" 1
172 1 29 ILE MG 1 30 GLU HA . . 7.300 3.625 3.023 3.874 . 0 0 "[ . 1 . 2]" 1
173 1 29 ILE MG 1 30 GLU QG . . 7.620 4.435 3.088 5.033 . 0 0 "[ . 1 . 2]" 1
174 1 29 ILE MG 1 32 GLN H . . 7.630 4.712 4.468 5.024 . 0 0 "[ . 1 . 2]" 1
175 1 29 ILE MG 1 72 ALA MB . . 8.980 5.594 5.022 6.175 . 0 0 "[ . 1 . 2]" 1
176 1 29 ILE MG 1 74 TYR QD . . 9.820 4.142 3.674 4.477 . 0 0 "[ . 1 . 2]" 1
177 1 29 ILE MG 1 74 TYR QE . . 9.220 3.988 3.419 4.404 . 0 0 "[ . 1 . 2]" 1
178 1 29 ILE MG 1 90 PHE QD . . 10.150 5.593 5.336 6.189 . 0 0 "[ . 1 . 2]" 1
179 1 29 ILE MG 1 91 ALA H . . 5.980 4.717 4.616 4.861 . 0 0 "[ . 1 . 2]" 1
180 1 29 ILE MG 1 91 ALA HA . . 6.810 2.720 2.501 3.236 . 0 0 "[ . 1 . 2]" 1
181 1 29 ILE MG 1 91 ALA MB . . 7.500 1.991 1.804 2.212 . 0 0 "[ . 1 . 2]" 1
182 1 29 ILE MG 1 92 ALA HA . . 8.020 4.436 3.896 4.793 . 0 0 "[ . 1 . 2]" 1
183 1 29 ILE MG 1 94 LEU H . . 6.310 4.276 3.819 5.732 . 0 0 "[ . 1 . 2]" 1
184 1 29 ILE MG 1 94 LEU MD1 . . 7.500 2.216 1.939 3.314 . 0 0 "[ . 1 . 2]" 1
185 1 29 ILE MG 1 94 LEU QD . . 6.270 2.200 1.936 3.143 . 0 0 "[ . 1 . 2]" 1
186 1 29 ILE MG 1 94 LEU MD2 . . 7.500 4.249 2.749 4.537 . 0 0 "[ . 1 . 2]" 1
187 1 29 ILE MG 1 95 ARG HA . . 8.020 6.293 5.469 6.802 . 0 0 "[ . 1 . 2]" 1
188 1 29 ILE MG 1 96 LYS HA . . 8.020 6.752 6.250 7.172 . 0 0 "[ . 1 . 2]" 1
189 1 29 ILE MG 1 96 LYS QE . . 8.900 5.767 4.716 7.177 . 0 0 "[ . 1 . 2]" 1
190 1 30 GLU H 1 30 GLU QG . . 4.330 3.299 2.945 3.989 . 0 0 "[ . 1 . 2]" 1
191 1 30 GLU H 1 31 LYS H . . 4.360 2.704 2.602 2.891 . 0 0 "[ . 1 . 2]" 1
192 1 30 GLU HA 1 31 LYS HA . . 6.120 4.820 4.766 4.899 . 0 0 "[ . 1 . 2]" 1
193 1 30 GLU HA 1 33 VAL QG . . 5.800 3.309 2.924 3.753 . 0 0 "[ . 1 . 2]" 1
194 1 30 GLU HA 1 87 LEU MD1 . . 6.750 4.792 2.870 5.317 . 0 0 "[ . 1 . 2]" 1
195 1 30 GLU HA 1 87 LEU QD . . 5.450 2.653 2.473 2.961 . 0 0 "[ . 1 . 2]" 1
196 1 30 GLU HA 1 87 LEU MD2 . . 6.750 2.700 2.483 3.459 . 0 0 "[ . 1 . 2]" 1
197 1 30 GLU HA 1 88 ALA HA . . 5.790 4.028 3.418 4.719 . 0 0 "[ . 1 . 2]" 1
198 1 30 GLU HA 1 91 ALA MB . . 5.430 2.521 2.164 2.965 . 0 0 "[ . 1 . 2]" 1
199 1 30 GLU QG 1 31 LYS H . . 6.480 4.516 3.977 4.659 . 0 0 "[ . 1 . 2]" 1
200 1 30 GLU QG 1 87 LEU QD . . 5.670 3.118 2.190 3.458 . 0 0 "[ . 1 . 2]" 1
201 1 30 GLU QG 1 88 ALA HA . . 5.650 2.453 1.961 3.052 . 0 0 "[ . 1 . 2]" 1
202 1 30 GLU QG 1 88 ALA MB . . 3.990 2.709 2.179 3.255 . 0 0 "[ . 1 . 2]" 1
203 1 30 GLU QG 1 91 ALA MB . . 4.220 2.502 1.914 3.071 . 0 0 "[ . 1 . 2]" 1
204 1 30 GLU HG2 1 87 LEU MD1 . . 8.020 6.138 4.355 6.761 . 0 0 "[ . 1 . 2]" 1
205 1 30 GLU HG2 1 87 LEU MD2 . . 8.020 4.084 2.427 4.600 . 0 0 "[ . 1 . 2]" 1
206 1 30 GLU HG3 1 87 LEU MD1 . . 8.020 5.589 3.995 6.377 . 0 0 "[ . 1 . 2]" 1
207 1 30 GLU HG3 1 87 LEU MD2 . . 8.020 3.311 2.516 3.879 . 0 0 "[ . 1 . 2]" 1
208 1 31 LYS H 1 31 LYS QD . . 4.220 3.968 3.657 4.370 0.150 12 0 "[ . 1 . 2]" 1
209 1 31 LYS H 1 31 LYS QG . . 4.670 2.735 1.982 4.091 . 0 0 "[ . 1 . 2]" 1
210 1 31 LYS H 1 32 GLN H . . 3.870 2.557 2.463 2.663 . 0 0 "[ . 1 . 2]" 1
211 1 31 LYS H 1 32 GLN HA . . 7.000 5.213 5.142 5.295 . 0 0 "[ . 1 . 2]" 1
212 1 31 LYS H 1 33 VAL H . . 7.000 4.326 4.097 4.573 . 0 0 "[ . 1 . 2]" 1
213 1 31 LYS H 1 34 ALA H . . 7.000 4.650 4.495 4.838 . 0 0 "[ . 1 . 2]" 1
214 1 31 LYS HA 1 33 VAL H . . 5.240 4.716 4.550 4.928 . 0 0 "[ . 1 . 2]" 1
215 1 31 LYS HA 1 34 ALA H . . 4.910 3.508 3.342 3.676 . 0 0 "[ . 1 . 2]" 1
216 1 31 LYS HA 1 34 ALA MB . . 6.420 2.378 2.206 2.698 . 0 0 "[ . 1 . 2]" 1
217 1 31 LYS HA 1 35 ALA H . . 5.790 4.034 3.690 4.362 . 0 0 "[ . 1 . 2]" 1
218 1 31 LYS HA 1 87 LEU MD1 . . 8.020 5.088 4.444 5.588 . 0 0 "[ . 1 . 2]" 1
219 1 31 LYS HA 1 87 LEU MD2 . . 8.020 4.436 3.550 4.890 . 0 0 "[ . 1 . 2]" 1
220 1 31 LYS QB 1 32 GLN H . . 5.350 3.184 2.568 3.610 . 0 0 "[ . 1 . 2]" 1
221 1 31 LYS QD 1 32 GLN H . . 5.000 4.261 2.946 4.939 . 0 0 "[ . 1 . 2]" 1
222 1 31 LYS HG2 1 32 GLN H . . 7.000 3.618 2.516 5.215 . 0 0 "[ . 1 . 2]" 1
223 1 31 LYS HG3 1 32 GLN H . . 7.000 3.612 2.302 5.134 . 0 0 "[ . 1 . 2]" 1
224 1 32 GLN H 1 32 GLN QB . . 3.280 2.237 2.181 2.305 . 0 0 "[ . 1 . 2]" 1
225 1 32 GLN H 1 32 GLN QG . . 4.010 4.019 3.958 4.066 0.056 9 0 "[ . 1 . 2]" 1
226 1 32 GLN H 1 33 VAL H . . 4.200 2.676 2.508 2.840 . 0 0 "[ . 1 . 2]" 1
227 1 32 GLN H 1 33 VAL HA . . 5.900 5.308 5.178 5.428 . 0 0 "[ . 1 . 2]" 1
228 1 32 GLN H 1 33 VAL HB . . 7.000 4.782 4.579 4.996 . 0 0 "[ . 1 . 2]" 1
229 1 32 GLN H 1 33 VAL QG . . 6.850 4.031 3.770 4.208 . 0 0 "[ . 1 . 2]" 1
230 1 32 GLN H 1 34 ALA MB . . 6.640 4.485 4.329 4.680 . 0 0 "[ . 1 . 2]" 1
231 1 32 GLN HA 1 35 ALA H . . 7.000 3.663 3.194 4.138 . 0 0 "[ . 1 . 2]" 1
232 1 32 GLN HA 1 35 ALA MB . . 5.540 2.967 2.514 3.632 . 0 0 "[ . 1 . 2]" 1
233 1 32 GLN HA 1 36 LEU H . . 7.000 4.462 4.131 5.036 . 0 0 "[ . 1 . 2]" 1
234 1 32 GLN QB 1 32 GLN QG . . 2.310 2.061 2.008 2.113 . 0 0 "[ . 1 . 2]" 1
235 1 32 GLN QB 1 33 VAL H . . 3.970 2.378 2.193 2.632 . 0 0 "[ . 1 . 2]" 1
236 1 32 GLN QB 1 33 VAL QG . . 6.210 2.972 2.755 3.290 . 0 0 "[ . 1 . 2]" 1
237 1 32 GLN HB2 1 74 TYR QE . . 9.130 4.852 3.303 6.296 . 0 0 "[ . 1 . 2]" 1
238 1 32 GLN HB3 1 74 TYR QE . . 9.130 4.750 3.514 6.291 . 0 0 "[ . 1 . 2]" 1
239 1 32 GLN QG 1 33 VAL H . . 4.380 3.413 3.179 3.753 . 0 0 "[ . 1 . 2]" 1
240 1 32 GLN QG 1 33 VAL HA . . 6.740 3.652 3.480 3.929 . 0 0 "[ . 1 . 2]" 1
241 1 32 GLN QG 1 33 VAL QG . . 6.230 3.461 3.158 4.001 . 0 0 "[ . 1 . 2]" 1
242 1 32 GLN QG 1 36 LEU QD . . 5.150 2.656 2.102 3.018 . 0 0 "[ . 1 . 2]" 1
243 1 32 GLN QG 1 69 LEU QD . . 6.400 2.870 2.288 3.710 . 0 0 "[ . 1 . 2]" 1
244 1 32 GLN QG 1 74 TYR QD . . 8.690 4.137 2.733 5.231 . 0 0 "[ . 1 . 2]" 1
245 1 32 GLN HG2 1 33 VAL MG1 . . 8.020 5.979 5.169 6.594 . 0 0 "[ . 1 . 2]" 1
246 1 32 GLN HG2 1 33 VAL MG2 . . 8.020 3.980 3.257 4.438 . 0 0 "[ . 1 . 2]" 1
247 1 32 GLN HG2 1 74 TYR QE . . 9.130 3.791 1.699 5.802 . 0 0 "[ . 1 . 2]" 1
248 1 32 GLN HG3 1 33 VAL MG1 . . 8.020 6.066 5.203 7.027 . 0 0 "[ . 1 . 2]" 1
249 1 32 GLN HG3 1 33 VAL MG2 . . 8.020 4.313 3.375 5.488 . 0 0 "[ . 1 . 2]" 1
250 1 32 GLN HG3 1 74 TYR QE . . 9.130 4.723 3.393 6.684 . 0 0 "[ . 1 . 2]" 1
251 1 33 VAL H 1 33 VAL HB . . 3.920 2.522 2.449 2.601 . 0 0 "[ . 1 . 2]" 1
252 1 33 VAL H 1 33 VAL QG . . 4.150 2.068 1.930 2.235 . 0 0 "[ . 1 . 2]" 1
253 1 33 VAL H 1 34 ALA HA . . 7.000 5.281 5.095 5.370 . 0 0 "[ . 1 . 2]" 1
254 1 33 VAL H 1 34 ALA MB . . 5.870 4.309 4.170 4.427 . 0 0 "[ . 1 . 2]" 1
255 1 33 VAL H 1 35 ALA H . . 5.790 4.297 4.101 4.483 . 0 0 "[ . 1 . 2]" 1
256 1 33 VAL H 1 87 LEU QD . . 6.320 3.937 3.667 4.269 . 0 0 "[ . 1 . 2]" 1
257 1 33 VAL HA 1 35 ALA H . . 5.960 4.557 4.285 4.768 . 0 0 "[ . 1 . 2]" 1
258 1 33 VAL HA 1 35 ALA MB . . 7.470 4.967 4.693 5.184 . 0 0 "[ . 1 . 2]" 1
259 1 33 VAL HA 1 36 LEU H . . 5.400 3.578 3.334 3.840 . 0 0 "[ . 1 . 2]" 1
260 1 33 VAL HA 1 36 LEU HA . . 6.780 5.558 5.305 5.946 . 0 0 "[ . 1 . 2]" 1
261 1 33 VAL HA 1 36 LEU QB . . 5.000 2.785 2.525 3.126 . 0 0 "[ . 1 . 2]" 1
262 1 33 VAL HA 1 36 LEU MD1 . . 6.310 2.581 2.114 3.176 . 0 0 "[ . 1 . 2]" 1
263 1 33 VAL HA 1 36 LEU QD . . 5.020 2.570 2.110 3.153 . 0 0 "[ . 1 . 2]" 1
264 1 33 VAL HA 1 36 LEU MD2 . . 6.310 4.834 4.506 5.332 . 0 0 "[ . 1 . 2]" 1
265 1 33 VAL HA 1 36 LEU HG . . 6.290 3.528 3.122 4.110 . 0 0 "[ . 1 . 2]" 1
266 1 33 VAL HA 1 37 TRP HD1 . . 7.000 4.059 3.784 4.330 . 0 0 "[ . 1 . 2]" 1
267 1 33 VAL HA 1 65 LEU MD1 . . 8.020 4.146 3.581 4.919 . 0 0 "[ . 1 . 2]" 1
268 1 33 VAL HA 1 65 LEU QD . . 7.040 3.801 3.449 4.297 . 0 0 "[ . 1 . 2]" 1
269 1 33 VAL HA 1 65 LEU MD2 . . 8.020 4.466 4.135 4.739 . 0 0 "[ . 1 . 2]" 1
270 1 33 VAL HA 1 69 LEU QD . . 6.420 2.796 2.321 3.278 . 0 0 "[ . 1 . 2]" 1
271 1 33 VAL HA 1 87 LEU QD . . 7.850 4.396 4.219 4.615 . 0 0 "[ . 1 . 2]" 1
272 1 33 VAL HA 1 90 PHE QD . . 9.130 5.436 4.875 6.099 . 0 0 "[ . 1 . 2]" 1
273 1 33 VAL HA 1 90 PHE QE . . 9.130 5.154 4.406 6.197 . 0 0 "[ . 1 . 2]" 1
274 1 33 VAL HA 1 94 LEU QD . . 7.850 4.491 4.179 5.906 . 0 0 "[ . 1 . 2]" 1
275 1 33 VAL HB 1 34 ALA H . . 4.200 2.735 2.413 2.951 . 0 0 "[ . 1 . 2]" 1
276 1 33 VAL HB 1 87 LEU MD1 . . 4.940 3.930 2.145 4.371 . 0 0 "[ . 1 . 2]" 1
277 1 33 VAL HB 1 87 LEU QD . . 4.170 2.353 2.139 2.618 . 0 0 "[ . 1 . 2]" 1
278 1 33 VAL HB 1 87 LEU MD2 . . 4.940 2.472 2.218 4.193 . 0 0 "[ . 1 . 2]" 1
279 1 33 VAL QG 1 34 ALA H . . 4.870 3.305 3.124 3.420 . 0 0 "[ . 1 . 2]" 1
280 1 33 VAL QG 1 35 ALA H . . 7.270 4.806 4.675 4.935 . 0 0 "[ . 1 . 2]" 1
281 1 33 VAL QG 1 36 LEU H . . 7.480 4.498 4.359 4.695 . 0 0 "[ . 1 . 2]" 1
282 1 33 VAL QG 1 36 LEU QB . . 6.280 3.579 3.337 3.999 . 0 0 "[ . 1 . 2]" 1
283 1 33 VAL QG 1 37 TRP H . . 6.110 4.019 3.857 4.139 . 0 0 "[ . 1 . 2]" 1
284 1 33 VAL QG 1 37 TRP HD1 . . 6.740 3.112 2.774 3.315 . 0 0 "[ . 1 . 2]" 1
285 1 33 VAL QG 1 37 TRP HE3 . . 7.850 4.809 4.306 5.217 . 0 0 "[ . 1 . 2]" 1
286 1 33 VAL QG 1 37 TRP HH2 . . 7.850 4.585 4.154 4.986 . 0 0 "[ . 1 . 2]" 1
287 1 33 VAL QG 1 37 TRP HZ2 . . 7.070 3.290 2.968 3.507 . 0 0 "[ . 1 . 2]" 1
288 1 33 VAL QG 1 37 TRP HZ3 . . 7.850 5.223 4.667 5.712 . 0 0 "[ . 1 . 2]" 1
289 1 33 VAL QG 1 38 GLN H . . 7.850 5.866 5.673 6.063 . 0 0 "[ . 1 . 2]" 1
290 1 33 VAL QG 1 65 LEU QD . . 7.460 2.742 2.425 3.458 . 0 0 "[ . 1 . 2]" 1
291 1 33 VAL QG 1 74 TYR QB . . 6.890 4.687 4.347 4.833 . 0 0 "[ . 1 . 2]" 1
292 1 33 VAL QG 1 74 TYR QD . . 9.840 4.848 3.939 5.455 . 0 0 "[ . 1 . 2]" 1
293 1 33 VAL QG 1 74 TYR QE . . 9.840 5.250 3.915 6.042 . 0 0 "[ . 1 . 2]" 1
294 1 33 VAL QG 1 90 PHE QD . . 8.110 2.186 1.678 2.792 . 0 0 "[ . 1 . 2]" 1
295 1 33 VAL QG 1 90 PHE QE . . 9.840 2.815 2.189 3.550 . 0 0 "[ . 1 . 2]" 1
296 1 33 VAL QG 1 91 ALA HA . . 6.590 2.566 2.200 3.360 . 0 0 "[ . 1 . 2]" 1
297 1 33 VAL QG 1 91 ALA MB . . 7.710 2.298 2.068 2.661 . 0 0 "[ . 1 . 2]" 1
298 1 33 VAL QG 1 94 LEU QD . . 7.200 2.075 1.910 3.132 . 0 0 "[ . 1 . 2]" 1
299 1 33 VAL MG1 1 34 ALA H . . 5.650 3.578 3.348 3.730 . 0 0 "[ . 1 . 2]" 1
300 1 33 VAL MG1 1 37 TRP HD1 . . 8.020 3.139 2.783 3.357 . 0 0 "[ . 1 . 2]" 1
301 1 33 VAL MG1 1 37 TRP HZ2 . . 8.020 3.318 2.988 3.545 . 0 0 "[ . 1 . 2]" 1
302 1 33 VAL MG1 1 90 PHE QD . . 9.650 2.216 1.686 2.876 . 0 0 "[ . 1 . 2]" 1
303 1 33 VAL MG2 1 34 ALA H . . 5.650 3.893 3.738 4.007 . 0 0 "[ . 1 . 2]" 1
304 1 33 VAL MG2 1 37 TRP HD1 . . 8.020 5.159 4.884 5.431 . 0 0 "[ . 1 . 2]" 1
305 1 33 VAL MG2 1 37 TRP HZ2 . . 8.020 5.426 5.039 5.753 . 0 0 "[ . 1 . 2]" 1
306 1 33 VAL MG2 1 90 PHE QD . . 9.650 3.461 2.954 3.879 . 0 0 "[ . 1 . 2]" 1
307 1 34 ALA H 1 35 ALA H . . 4.580 2.748 2.651 2.836 . 0 0 "[ . 1 . 2]" 1
308 1 34 ALA H 1 36 LEU H . . 5.790 4.173 3.969 4.336 . 0 0 "[ . 1 . 2]" 1
309 1 34 ALA H 1 37 TRP H . . 5.130 4.776 4.515 4.895 . 0 0 "[ . 1 . 2]" 1
310 1 34 ALA H 1 87 LEU QD . . 5.640 2.679 2.489 2.973 . 0 0 "[ . 1 . 2]" 1
311 1 34 ALA HA 1 36 LEU H . . 5.840 4.464 4.117 4.647 . 0 0 "[ . 1 . 2]" 1
312 1 34 ALA HA 1 37 TRP H . . 4.140 3.567 3.022 3.936 . 0 0 "[ . 1 . 2]" 1
313 1 34 ALA HA 1 37 TRP HD1 . . 7.000 4.877 4.119 5.470 . 0 0 "[ . 1 . 2]" 1
314 1 34 ALA HA 1 37 TRP HZ3 . . 7.000 6.465 5.881 6.984 . 0 0 "[ . 1 . 2]" 1
315 1 34 ALA HA 1 38 GLN H . . 4.690 4.249 4.077 4.431 . 0 0 "[ . 1 . 2]" 1
316 1 34 ALA HA 1 46 VAL HB . . 7.000 4.379 4.040 4.806 . 0 0 "[ . 1 . 2]" 1
317 1 34 ALA HA 1 46 VAL QG . . 5.540 2.240 2.085 2.500 . 0 0 "[ . 1 . 2]" 1
318 1 34 ALA HA 1 87 LEU MD1 . . 6.810 1.908 1.697 2.530 . 0 0 "[ . 1 . 2]" 1
319 1 34 ALA HA 1 87 LEU QD . . 5.680 1.895 1.688 2.476 . 0 0 "[ . 1 . 2]" 1
320 1 34 ALA HA 1 87 LEU MD2 . . 6.810 3.308 2.992 3.822 . 0 0 "[ . 1 . 2]" 1
321 1 34 ALA MB 1 35 ALA H . . 4.500 2.432 2.306 2.567 . 0 0 "[ . 1 . 2]" 1
322 1 34 ALA MB 1 36 LEU H . . 6.590 4.494 4.354 4.641 . 0 0 "[ . 1 . 2]" 1
323 1 34 ALA MB 1 37 TRP H . . 6.530 4.674 4.337 4.943 . 0 0 "[ . 1 . 2]" 1
324 1 34 ALA MB 1 38 GLN H . . 6.810 4.714 4.524 4.860 . 0 0 "[ . 1 . 2]" 1
325 1 34 ALA MB 1 46 VAL QG . . 7.110 2.431 2.042 2.816 . 0 0 "[ . 1 . 2]" 1
326 1 34 ALA MB 1 47 THR HA . . 7.630 4.401 4.001 4.708 . 0 0 "[ . 1 . 2]" 1
327 1 34 ALA MB 1 47 THR HB . . 8.020 6.473 6.078 6.812 . 0 0 "[ . 1 . 2]" 1
328 1 34 ALA MB 1 87 LEU MD1 . . 7.330 2.285 2.004 2.658 . 0 0 "[ . 1 . 2]" 1
329 1 34 ALA MB 1 87 LEU QD . . 6.430 2.122 1.794 2.409 . 0 0 "[ . 1 . 2]" 1
330 1 34 ALA MB 1 87 LEU MD2 . . 7.330 2.587 1.880 3.063 . 0 0 "[ . 1 . 2]" 1
331 1 35 ALA H 1 36 LEU H . . 4.200 2.707 2.600 2.780 . 0 0 "[ . 1 . 2]" 1
332 1 35 ALA H 1 37 TRP H . . 5.960 4.233 4.093 4.462 . 0 0 "[ . 1 . 2]" 1
333 1 35 ALA H 1 37 TRP QB . . 6.740 5.124 4.905 5.323 . 0 0 "[ . 1 . 2]" 1
334 1 35 ALA H 1 38 GLN H . . 5.350 4.808 4.705 4.932 . 0 0 "[ . 1 . 2]" 1
335 1 35 ALA H 1 87 LEU QD . . 7.850 4.431 4.284 4.634 . 0 0 "[ . 1 . 2]" 1
336 1 35 ALA HA 1 37 TRP H . . 7.000 4.581 4.451 4.766 . 0 0 "[ . 1 . 2]" 1
337 1 35 ALA HA 1 38 GLN HB2 . . 3.980 2.778 2.687 2.840 . 0 0 "[ . 1 . 2]" 1
338 1 35 ALA HA 1 38 GLN QB . . 3.380 2.749 2.659 2.810 . 0 0 "[ . 1 . 2]" 1
339 1 35 ALA HA 1 38 GLN HB3 . . 3.980 4.375 4.237 4.463 0.483 12 0 "[ . 1 . 2]" 1
340 1 35 ALA HA 1 38 GLN HG2 . . 6.670 5.101 4.276 5.405 . 0 0 "[ . 1 . 2]" 1
341 1 35 ALA HA 1 38 GLN HG3 . . 6.670 4.029 3.499 5.362 . 0 0 "[ . 1 . 2]" 1
342 1 35 ALA MB 1 37 TRP H . . 5.430 4.615 4.464 4.889 . 0 0 "[ . 1 . 2]" 1
343 1 35 ALA MB 1 38 GLN H . . 6.480 4.698 4.580 4.883 . 0 0 "[ . 1 . 2]" 1
344 1 35 ALA MB 1 39 GLN H . . 6.810 4.991 4.782 5.275 . 0 0 "[ . 1 . 2]" 1
345 1 36 LEU H 1 36 LEU HB2 . . 4.080 2.472 2.415 2.560 . 0 0 "[ . 1 . 2]" 1
346 1 36 LEU H 1 36 LEU HB3 . . 4.080 3.601 3.582 3.613 . 0 0 "[ . 1 . 2]" 1
347 1 36 LEU H 1 36 LEU QD . . 4.730 3.105 2.994 3.198 . 0 0 "[ . 1 . 2]" 1
348 1 36 LEU H 1 36 LEU HG . . 3.920 2.354 2.196 2.526 . 0 0 "[ . 1 . 2]" 1
349 1 36 LEU H 1 37 TRP H . . 4.360 2.674 2.580 2.760 . 0 0 "[ . 1 . 2]" 1
350 1 36 LEU H 1 37 TRP HB2 . . 5.840 4.775 4.630 4.867 . 0 0 "[ . 1 . 2]" 1
351 1 36 LEU H 1 37 TRP QB . . 5.040 4.630 4.498 4.715 . 0 0 "[ . 1 . 2]" 1
352 1 36 LEU H 1 37 TRP HB3 . . 5.840 6.230 6.109 6.313 0.473 8 0 "[ . 1 . 2]" 1
353 1 36 LEU H 1 38 GLN H . . 5.960 4.064 3.904 4.188 . 0 0 "[ . 1 . 2]" 1
354 1 36 LEU HA 1 39 GLN H . . 4.860 3.477 3.253 3.774 . 0 0 "[ . 1 . 2]" 1
355 1 36 LEU HA 1 39 GLN QB . . 5.460 2.992 2.457 4.228 . 0 0 "[ . 1 . 2]" 1
356 1 36 LEU HA 1 39 GLN QG . . 5.280 3.119 2.154 3.972 . 0 0 "[ . 1 . 2]" 1
357 1 36 LEU HA 1 65 LEU QD . . 6.300 3.826 3.575 4.067 . 0 0 "[ . 1 . 2]" 1
358 1 36 LEU QB 1 37 TRP H . . 4.330 2.647 2.379 2.785 . 0 0 "[ . 1 . 2]" 1
359 1 36 LEU QB 1 65 LEU QD . . 4.780 2.099 1.911 2.398 . 0 0 "[ . 1 . 2]" 1
360 1 36 LEU QB 1 69 LEU QD . . 6.540 3.581 2.994 4.010 . 0 0 "[ . 1 . 2]" 1
361 1 36 LEU HB2 1 37 TRP HD1 . . 7.000 2.907 2.596 3.178 . 0 0 "[ . 1 . 2]" 1
362 1 36 LEU HB3 1 37 TRP HD1 . . 7.000 3.645 3.395 4.045 . 0 0 "[ . 1 . 2]" 1
363 1 36 LEU QD 1 37 TRP HD1 . . 6.720 4.210 3.882 4.424 . 0 0 "[ . 1 . 2]" 1
364 1 36 LEU QD 1 68 GLN HA . . 4.610 3.746 3.333 3.911 . 0 0 "[ . 1 . 2]" 1
365 1 36 LEU QD 1 68 GLN QB . . 4.260 1.818 1.685 1.920 . 0 0 "[ . 1 . 2]" 1
366 1 36 LEU QD 1 68 GLN QG . . 4.850 2.394 1.967 2.825 . 0 0 "[ . 1 . 2]" 1
367 1 36 LEU QD 1 69 LEU QD . . 6.850 2.067 1.840 2.197 . 0 0 "[ . 1 . 2]" 1
368 1 36 LEU QD 1 72 ALA MB . . 8.810 3.236 2.597 3.758 . 0 0 "[ . 1 . 2]" 1
369 1 36 LEU MD1 1 37 TRP H . . 8.020 4.655 4.410 4.823 . 0 0 "[ . 1 . 2]" 1
370 1 36 LEU MD1 1 37 TRP HD1 . . 7.960 4.392 4.007 4.641 . 0 0 "[ . 1 . 2]" 1
371 1 36 LEU MD1 1 68 GLN HA . . 5.820 4.194 3.956 4.408 . 0 0 "[ . 1 . 2]" 1
372 1 36 LEU MD1 1 68 GLN HB2 . . 6.590 2.530 2.013 3.090 . 0 0 "[ . 1 . 2]" 1
373 1 36 LEU MD1 1 68 GLN HB3 . . 6.590 2.214 1.822 2.612 . 0 0 "[ . 1 . 2]" 1
374 1 36 LEU MD2 1 37 TRP H . . 8.020 4.743 4.678 4.806 . 0 0 "[ . 1 . 2]" 1
375 1 36 LEU MD2 1 37 TRP HD1 . . 7.960 5.412 5.205 5.695 . 0 0 "[ . 1 . 2]" 1
376 1 36 LEU MD2 1 68 GLN HA . . 5.820 4.234 3.588 4.598 . 0 0 "[ . 1 . 2]" 1
377 1 36 LEU MD2 1 68 GLN HB2 . . 6.590 3.196 2.687 3.695 . 0 0 "[ . 1 . 2]" 1
378 1 36 LEU MD2 1 68 GLN HB3 . . 6.590 2.175 1.791 2.635 . 0 0 "[ . 1 . 2]" 1
379 1 36 LEU HG 1 37 TRP H . . 5.960 4.455 4.233 4.641 . 0 0 "[ . 1 . 2]" 1
380 1 36 LEU HG 1 37 TRP HD1 . . 7.000 5.364 5.038 5.663 . 0 0 "[ . 1 . 2]" 1
381 1 37 TRP H 1 37 TRP HD1 . . 4.750 2.547 2.300 2.646 . 0 0 "[ . 1 . 2]" 1
382 1 37 TRP H 1 38 GLN H . . 4.470 2.644 2.524 2.761 . 0 0 "[ . 1 . 2]" 1
383 1 37 TRP H 1 38 GLN HA . . 5.510 5.290 5.196 5.370 . 0 0 "[ . 1 . 2]" 1
384 1 37 TRP H 1 39 GLN H . . 5.510 4.104 3.815 4.561 . 0 0 "[ . 1 . 2]" 1
385 1 37 TRP H 1 46 VAL QG . . 5.250 3.631 3.422 3.858 . 0 0 "[ . 1 . 2]" 1
386 1 37 TRP H 1 87 LEU QD . . 7.640 4.483 4.069 4.829 . 0 0 "[ . 1 . 2]" 1
387 1 37 TRP HA 1 40 LEU H . . 4.530 3.695 3.346 3.952 . 0 0 "[ . 1 . 2]" 1
388 1 37 TRP HA 1 40 LEU HB2 . . 5.130 2.988 2.563 3.270 . 0 0 "[ . 1 . 2]" 1
389 1 37 TRP HA 1 40 LEU HB3 . . 5.130 4.391 3.943 4.828 . 0 0 "[ . 1 . 2]" 1
390 1 37 TRP HA 1 40 LEU QD . . 6.380 4.079 3.799 4.308 . 0 0 "[ . 1 . 2]" 1
391 1 37 TRP HA 1 40 LEU HG . . 7.000 4.884 4.426 5.197 . 0 0 "[ . 1 . 2]" 1
392 1 37 TRP HA 1 41 LEU H . . 5.460 3.304 2.991 3.585 . 0 0 "[ . 1 . 2]" 1
393 1 37 TRP HA 1 41 LEU MD1 . . 7.960 3.477 3.099 3.757 . 0 0 "[ . 1 . 2]" 1
394 1 37 TRP HA 1 41 LEU QD . . 6.480 3.318 3.011 3.560 . 0 0 "[ . 1 . 2]" 1
395 1 37 TRP HA 1 41 LEU MD2 . . 7.960 4.233 3.789 4.534 . 0 0 "[ . 1 . 2]" 1
396 1 37 TRP HA 1 52 PHE QE . . 9.130 3.446 2.971 4.006 . 0 0 "[ . 1 . 2]" 1
397 1 37 TRP HA 1 61 LEU QD . . 7.850 4.698 4.179 6.072 . 0 0 "[ . 1 . 2]" 1
398 1 37 TRP HA 1 65 LEU QD . . 5.100 2.791 2.489 3.433 . 0 0 "[ . 1 . 2]" 1
399 1 37 TRP HA 1 87 LEU QD . . 7.850 5.547 5.049 5.942 . 0 0 "[ . 1 . 2]" 1
400 1 37 TRP QB 1 38 GLN H . . 4.270 2.765 2.620 2.927 . 0 0 "[ . 1 . 2]" 1
401 1 37 TRP QB 1 41 LEU QD . . 6.120 2.393 2.147 2.820 . 0 0 "[ . 1 . 2]" 1
402 1 37 TRP QB 1 46 VAL QG . . 5.370 1.694 1.526 1.888 . 0 0 "[ . 1 . 2]" 1
403 1 37 TRP QB 1 87 LEU QD . . 5.380 3.183 2.654 3.575 . 0 0 "[ . 1 . 2]" 1
404 1 37 TRP HB2 1 38 GLN H . . 5.020 2.861 2.707 3.051 . 0 0 "[ . 1 . 2]" 1
405 1 37 TRP HB3 1 38 GLN H . . 5.020 3.666 3.496 3.808 . 0 0 "[ . 1 . 2]" 1
406 1 37 TRP HD1 1 38 GLN H . . 7.000 4.863 4.776 4.981 . 0 0 "[ . 1 . 2]" 1
407 1 37 TRP HD1 1 40 LEU QD . . 7.480 4.776 4.382 5.036 . 0 0 "[ . 1 . 2]" 1
408 1 37 TRP HD1 1 41 LEU QD . . 7.850 4.629 4.182 4.920 . 0 0 "[ . 1 . 2]" 1
409 1 37 TRP HD1 1 46 VAL MG1 . . 8.020 5.643 5.288 5.983 . 0 0 "[ . 1 . 2]" 1
410 1 37 TRP HD1 1 46 VAL MG2 . . 8.020 4.802 4.594 5.045 . 0 0 "[ . 1 . 2]" 1
411 1 37 TRP HD1 1 52 PHE QB . . 6.740 5.918 5.454 6.377 . 0 0 "[ . 1 . 2]" 1
412 1 37 TRP HD1 1 52 PHE QD . . 9.130 4.146 3.852 4.525 . 0 0 "[ . 1 . 2]" 1
413 1 37 TRP HD1 1 52 PHE QE . . 9.130 3.874 3.532 4.380 . 0 0 "[ . 1 . 2]" 1
414 1 37 TRP HD1 1 65 LEU HA . . 7.000 5.535 5.272 5.983 . 0 0 "[ . 1 . 2]" 1
415 1 37 TRP HD1 1 65 LEU QD . . 5.440 1.819 1.666 2.209 . 0 0 "[ . 1 . 2]" 1
416 1 37 TRP HD1 1 87 LEU QD . . 7.850 4.768 4.300 5.274 . 0 0 "[ . 1 . 2]" 1
417 1 37 TRP HE3 1 41 LEU QD . . 7.850 3.079 2.808 3.527 . 0 0 "[ . 1 . 2]" 1
418 1 37 TRP HE3 1 46 VAL MG1 . . 8.020 2.538 2.075 2.865 . 0 0 "[ . 1 . 2]" 1
419 1 37 TRP HE3 1 46 VAL MG2 . . 8.020 3.011 2.586 3.645 . 0 0 "[ . 1 . 2]" 1
420 1 37 TRP HE3 1 50 THR HA . . 7.000 6.066 5.425 6.633 . 0 0 "[ . 1 . 2]" 1
421 1 37 TRP HE3 1 50 THR HB . . 6.720 3.775 3.073 4.330 . 0 0 "[ . 1 . 2]" 1
422 1 37 TRP HE3 1 50 THR MG . . 5.600 2.932 2.281 3.472 . 0 0 "[ . 1 . 2]" 1
423 1 37 TRP HE3 1 51 ASP HA . . 7.000 5.672 5.045 6.308 . 0 0 "[ . 1 . 2]" 1
424 1 37 TRP HE3 1 52 PHE HA . . 7.000 3.752 3.552 4.071 . 0 0 "[ . 1 . 2]" 1
425 1 37 TRP HE3 1 52 PHE HB2 . . 7.000 4.726 4.319 5.329 . 0 0 "[ . 1 . 2]" 1
426 1 37 TRP HE3 1 52 PHE HB3 . . 7.000 6.191 5.889 6.726 . 0 0 "[ . 1 . 2]" 1
427 1 37 TRP HE3 1 81 LEU QD . . 7.850 5.693 5.319 6.264 . 0 0 "[ . 1 . 2]" 1
428 1 37 TRP HE3 1 86 ARG HA . . 7.000 6.637 6.076 7.325 0.325 7 0 "[ . 1 . 2]" 1
429 1 37 TRP HE3 1 87 LEU H . . 5.290 5.616 5.307 5.883 0.593 7 4 "[ .*+- 1 * . 2]" 1
430 1 37 TRP HE3 1 87 LEU HA . . 7.000 5.092 4.552 5.508 . 0 0 "[ . 1 . 2]" 1
431 1 37 TRP HE3 1 87 LEU HB2 . . 7.000 3.925 3.637 4.178 . 0 0 "[ . 1 . 2]" 1
432 1 37 TRP HE3 1 87 LEU HB3 . . 7.000 5.543 5.246 5.846 . 0 0 "[ . 1 . 2]" 1
433 1 37 TRP HE3 1 87 LEU MD1 . . 7.910 2.993 2.550 3.699 . 0 0 "[ . 1 . 2]" 1
434 1 37 TRP HE3 1 87 LEU QD . . 6.800 2.971 2.544 3.568 . 0 0 "[ . 1 . 2]" 1
435 1 37 TRP HE3 1 87 LEU MD2 . . 7.910 5.360 4.619 5.740 . 0 0 "[ . 1 . 2]" 1
436 1 37 TRP HE3 1 87 LEU HG . . 7.000 4.371 3.853 6.404 . 0 0 "[ . 1 . 2]" 1
437 1 37 TRP HH2 1 46 VAL QG . . 7.850 5.510 5.189 5.894 . 0 0 "[ . 1 . 2]" 1
438 1 37 TRP HH2 1 50 THR MG . . 8.020 4.714 4.094 5.339 . 0 0 "[ . 1 . 2]" 1
439 1 37 TRP HH2 1 51 ASP HA . . 7.000 3.445 2.738 4.346 . 0 0 "[ . 1 . 2]" 1
440 1 37 TRP HH2 1 52 PHE HA . . 7.000 4.163 3.611 4.655 . 0 0 "[ . 1 . 2]" 1
441 1 37 TRP HH2 1 52 PHE HB2 . . 7.000 2.956 2.632 3.287 . 0 0 "[ . 1 . 2]" 1
442 1 37 TRP HH2 1 52 PHE HB3 . . 7.000 4.294 4.156 4.463 . 0 0 "[ . 1 . 2]" 1
443 1 37 TRP HH2 1 52 PHE QD . . 9.130 4.348 3.781 4.873 . 0 0 "[ . 1 . 2]" 1
444 1 37 TRP HH2 1 81 LEU MD1 . . 8.020 5.941 5.365 6.331 . 0 0 "[ . 1 . 2]" 1
445 1 37 TRP HH2 1 81 LEU QD . . 6.840 3.648 3.270 3.969 . 0 0 "[ . 1 . 2]" 1
446 1 37 TRP HH2 1 81 LEU MD2 . . 8.020 3.682 3.298 4.012 . 0 0 "[ . 1 . 2]" 1
447 1 37 TRP HH2 1 85 PRO HA . . 7.000 4.156 3.537 4.724 . 0 0 "[ . 1 . 2]" 1
448 1 37 TRP HH2 1 86 ARG HA . . 7.000 3.733 3.202 4.506 . 0 0 "[ . 1 . 2]" 1
449 1 37 TRP HH2 1 87 LEU H . . 5.240 3.525 3.189 4.035 . 0 0 "[ . 1 . 2]" 1
450 1 37 TRP HH2 1 87 LEU HA . . 6.670 2.773 2.515 3.029 . 0 0 "[ . 1 . 2]" 1
451 1 37 TRP HH2 1 87 LEU HB2 . . 7.000 3.639 3.319 4.176 . 0 0 "[ . 1 . 2]" 1
452 1 37 TRP HH2 1 87 LEU HB3 . . 7.000 4.981 4.751 5.362 . 0 0 "[ . 1 . 2]" 1
453 1 37 TRP HH2 1 87 LEU MD1 . . 8.020 4.673 4.004 5.253 . 0 0 "[ . 1 . 2]" 1
454 1 37 TRP HH2 1 87 LEU MD2 . . 8.020 5.362 4.911 5.709 . 0 0 "[ . 1 . 2]" 1
455 1 37 TRP HH2 1 87 LEU HG . . 7.000 4.479 3.700 5.702 . 0 0 "[ . 1 . 2]" 1
456 1 37 TRP HH2 1 88 ALA H . . 7.000 5.704 5.464 6.093 . 0 0 "[ . 1 . 2]" 1
457 1 37 TRP HH2 1 90 PHE QB . . 6.740 3.856 3.151 4.376 . 0 0 "[ . 1 . 2]" 1
458 1 37 TRP HH2 1 90 PHE QD . . 9.130 4.803 4.308 5.524 . 0 0 "[ . 1 . 2]" 1
459 1 37 TRP HZ2 1 50 THR MG . . 8.020 6.279 5.720 6.920 . 0 0 "[ . 1 . 2]" 1
460 1 37 TRP HZ2 1 52 PHE HA . . 7.000 5.095 4.420 5.568 . 0 0 "[ . 1 . 2]" 1
461 1 37 TRP HZ2 1 52 PHE HB2 . . 7.000 3.173 2.746 3.544 . 0 0 "[ . 1 . 2]" 1
462 1 37 TRP HZ2 1 52 PHE HB3 . . 7.000 4.676 4.396 5.079 . 0 0 "[ . 1 . 2]" 1
463 1 37 TRP HZ2 1 52 PHE QD . . 9.130 3.733 3.152 4.218 . 0 0 "[ . 1 . 2]" 1
464 1 37 TRP HZ2 1 65 LEU QD . . 7.850 3.916 3.614 4.172 . 0 0 "[ . 1 . 2]" 1
465 1 37 TRP HZ2 1 81 LEU QD . . 5.960 2.359 1.942 2.777 . 0 0 "[ . 1 . 2]" 1
466 1 37 TRP HZ2 1 85 PRO HA . . 7.000 5.121 4.693 5.728 . 0 0 "[ . 1 . 2]" 1
467 1 37 TRP HZ2 1 87 LEU H . . 7.000 5.345 4.871 5.933 . 0 0 "[ . 1 . 2]" 1
468 1 37 TRP HZ2 1 87 LEU HA . . 7.000 3.195 2.879 3.644 . 0 0 "[ . 1 . 2]" 1
469 1 37 TRP HZ2 1 87 LEU MD1 . . 8.020 5.068 3.605 5.757 . 0 0 "[ . 1 . 2]" 1
470 1 37 TRP HZ2 1 87 LEU MD2 . . 8.020 5.249 4.979 6.010 . 0 0 "[ . 1 . 2]" 1
471 1 37 TRP HZ2 1 87 LEU HG . . 7.000 4.324 3.818 5.885 . 0 0 "[ . 1 . 2]" 1
472 1 37 TRP HZ2 1 90 PHE HA . . 7.000 5.989 5.130 6.635 . 0 0 "[ . 1 . 2]" 1
473 1 37 TRP HZ2 1 90 PHE HB2 . . 7.000 3.808 2.947 4.479 . 0 0 "[ . 1 . 2]" 1
474 1 37 TRP HZ2 1 90 PHE HB3 . . 7.000 3.359 2.802 3.735 . 0 0 "[ . 1 . 2]" 1
475 1 37 TRP HZ2 1 90 PHE QD . . 9.130 2.892 2.445 3.658 . 0 0 "[ . 1 . 2]" 1
476 1 37 TRP HZ3 1 41 LEU QD . . 7.160 4.299 3.996 4.812 . 0 0 "[ . 1 . 2]" 1
477 1 37 TRP HZ3 1 46 VAL QG . . 6.170 4.019 3.632 4.410 . 0 0 "[ . 1 . 2]" 1
478 1 37 TRP HZ3 1 50 THR HA . . 7.000 4.741 4.162 5.448 . 0 0 "[ . 1 . 2]" 1
479 1 37 TRP HZ3 1 50 THR HB . . 7.000 3.244 2.550 3.990 . 0 0 "[ . 1 . 2]" 1
480 1 37 TRP HZ3 1 50 THR MG . . 5.650 2.607 2.053 3.244 . 0 0 "[ . 1 . 2]" 1
481 1 37 TRP HZ3 1 52 PHE HA . . 7.000 3.394 3.114 3.678 . 0 0 "[ . 1 . 2]" 1
482 1 37 TRP HZ3 1 52 PHE QB . . 6.740 3.733 3.351 4.150 . 0 0 "[ . 1 . 2]" 1
483 1 37 TRP HZ3 1 52 PHE QD . . 9.130 4.463 3.986 4.875 . 0 0 "[ . 1 . 2]" 1
484 1 37 TRP HZ3 1 87 LEU H . . 6.120 3.724 3.396 3.965 . 0 0 "[ . 1 . 2]" 1
485 1 37 TRP HZ3 1 87 LEU HA . . 7.000 3.918 3.330 4.405 . 0 0 "[ . 1 . 2]" 1
486 1 37 TRP HZ3 1 87 LEU HB2 . . 7.000 3.009 2.742 3.318 . 0 0 "[ . 1 . 2]" 1
487 1 37 TRP HZ3 1 87 LEU HB3 . . 7.000 4.700 4.432 5.026 . 0 0 "[ . 1 . 2]" 1
488 1 37 TRP HZ3 1 87 LEU MD1 . . 7.960 3.661 3.020 4.182 . 0 0 "[ . 1 . 2]" 1
489 1 37 TRP HZ3 1 87 LEU QD . . 6.720 3.599 2.998 4.068 . 0 0 "[ . 1 . 2]" 1
490 1 37 TRP HZ3 1 87 LEU MD2 . . 7.960 5.423 4.847 5.727 . 0 0 "[ . 1 . 2]" 1
491 1 37 TRP HZ3 1 87 LEU HG . . 7.000 4.502 3.820 5.971 . 0 0 "[ . 1 . 2]" 1
492 1 38 GLN H 1 38 GLN QB . . 3.660 2.356 2.189 2.417 . 0 0 "[ . 1 . 2]" 1
493 1 38 GLN H 1 38 GLN QG . . 4.390 2.540 2.323 3.772 . 0 0 "[ . 1 . 2]" 1
494 1 38 GLN H 1 39 GLN H . . 4.420 2.613 2.490 2.747 . 0 0 "[ . 1 . 2]" 1
495 1 38 GLN H 1 40 LEU H . . 4.910 4.438 4.065 4.651 . 0 0 "[ . 1 . 2]" 1
496 1 38 GLN H 1 46 VAL QG . . 5.050 3.040 2.783 3.193 . 0 0 "[ . 1 . 2]" 1
497 1 38 GLN HA 1 41 LEU MD1 . . 8.020 4.571 4.068 5.053 . 0 0 "[ . 1 . 2]" 1
498 1 38 GLN HA 1 41 LEU QD . . 7.090 4.453 3.997 4.883 . 0 0 "[ . 1 . 2]" 1
499 1 38 GLN HA 1 41 LEU MD2 . . 8.020 6.156 5.859 6.461 . 0 0 "[ . 1 . 2]" 1
500 1 38 GLN HA 1 43 THR MG . . 5.820 3.449 1.929 4.089 . 0 0 "[ . 1 . 2]" 1
501 1 38 GLN HA 1 46 VAL MG1 . . 8.020 3.346 2.705 3.823 . 0 0 "[ . 1 . 2]" 1
502 1 38 GLN HA 1 46 VAL MG2 . . 8.020 3.704 3.264 3.932 . 0 0 "[ . 1 . 2]" 1
503 1 38 GLN QB 1 44 GLY QA . . 6.470 4.793 4.209 5.308 . 0 0 "[ . 1 . 2]" 1
504 1 38 GLN QB 1 46 VAL QG . . 5.760 3.498 3.382 3.781 . 0 0 "[ . 1 . 2]" 1
505 1 38 GLN QE 1 45 ASN HA . . 4.330 2.752 1.567 3.250 . 0 0 "[ . 1 . 2]" 1
506 1 38 GLN QE 1 45 ASN QB . . 4.970 3.899 3.405 4.383 . 0 0 "[ . 1 . 2]" 1
507 1 38 GLN QE 1 47 THR MG . . 6.230 4.893 4.572 5.130 . 0 0 "[ . 1 . 2]" 1
508 1 38 GLN QG 1 40 LEU H . . 6.740 6.198 5.818 6.637 . 0 0 "[ . 1 . 2]" 1
509 1 38 GLN QG 1 46 VAL QG . . 4.680 1.782 1.563 3.442 . 0 0 "[ . 1 . 2]" 1
510 1 38 GLN HG2 1 44 GLY HA2 . . 7.000 5.046 4.566 5.429 . 0 0 "[ . 1 . 2]" 1
511 1 38 GLN HG2 1 44 GLY HA3 . . 7.000 5.673 5.306 6.082 . 0 0 "[ . 1 . 2]" 1
512 1 38 GLN HG2 1 46 VAL MG1 . . 6.920 3.143 2.623 5.263 . 0 0 "[ . 1 . 2]" 1
513 1 38 GLN HG2 1 46 VAL MG2 . . 6.920 2.760 2.455 4.401 . 0 0 "[ . 1 . 2]" 1
514 1 38 GLN HG3 1 44 GLY HA2 . . 7.000 6.611 3.524 7.179 0.179 8 0 "[ . 1 . 2]" 1
515 1 38 GLN HG3 1 44 GLY HA3 . . 7.000 7.249 4.950 7.661 0.661 8 5 "[ . + 1** -* 2]" 1
516 1 38 GLN HG3 1 46 VAL MG1 . . 6.920 3.235 2.708 4.185 . 0 0 "[ . 1 . 2]" 1
517 1 38 GLN HG3 1 46 VAL MG2 . . 6.920 1.850 1.581 4.039 . 0 0 "[ . 1 . 2]" 1
518 1 39 GLN H 1 39 GLN HG2 . . 5.080 2.815 2.037 4.685 . 0 0 "[ . 1 . 2]" 1
519 1 39 GLN H 1 39 GLN QG . . 4.470 2.547 2.015 4.064 . 0 0 "[ . 1 . 2]" 1
520 1 39 GLN H 1 39 GLN HG3 . . 5.080 3.656 2.409 4.458 . 0 0 "[ . 1 . 2]" 1
521 1 39 GLN H 1 40 LEU H . . 4.250 2.559 2.395 2.724 . 0 0 "[ . 1 . 2]" 1
522 1 39 GLN H 1 40 LEU QD . . 5.780 3.784 3.589 4.054 . 0 0 "[ . 1 . 2]" 1
523 1 39 GLN H 1 40 LEU HG . . 6.500 6.170 5.936 6.350 . 0 0 "[ . 1 . 2]" 1
524 1 39 GLN H 1 41 LEU H . . 5.840 4.115 3.799 4.448 . 0 0 "[ . 1 . 2]" 1
525 1 39 GLN H 1 42 SER H . . 6.010 4.333 4.138 4.827 . 0 0 "[ . 1 . 2]" 1
526 1 39 GLN QB 1 40 LEU H . . 5.460 2.332 2.148 3.462 . 0 0 "[ . 1 . 2]" 1
527 1 39 GLN QG 1 40 LEU H . . 6.740 3.735 2.218 4.115 . 0 0 "[ . 1 . 2]" 1
528 1 40 LEU H 1 40 LEU HB2 . . 4.080 2.237 2.135 2.323 . 0 0 "[ . 1 . 2]" 1
529 1 40 LEU H 1 40 LEU HB3 . . 4.080 3.516 3.453 3.560 . 0 0 "[ . 1 . 2]" 1
530 1 40 LEU H 1 40 LEU QD . . 4.970 2.248 2.109 2.492 . 0 0 "[ . 1 . 2]" 1
531 1 40 LEU H 1 40 LEU HG . . 3.420 3.927 3.873 3.997 0.577 18 13 "[* **-** * * *.**+*2]" 1
532 1 40 LEU H 1 41 LEU H . . 4.140 2.806 2.654 2.960 . 0 0 "[ . 1 . 2]" 1
533 1 40 LEU H 1 41 LEU MD1 . . 8.020 5.697 5.491 5.826 . 0 0 "[ . 1 . 2]" 1
534 1 40 LEU H 1 41 LEU MD2 . . 8.020 5.289 4.881 5.564 . 0 0 "[ . 1 . 2]" 1
535 1 40 LEU H 1 42 SER H . . 5.130 3.755 3.646 3.913 . 0 0 "[ . 1 . 2]" 1
536 1 40 LEU QB 1 41 LEU QD . . 5.540 3.217 2.803 3.436 . 0 0 "[ . 1 . 2]" 1
537 1 40 LEU QB 1 52 PHE QE . . 8.690 3.550 3.056 3.998 . 0 0 "[ . 1 . 2]" 1
538 1 40 LEU QB 1 61 LEU QD . . 5.920 1.890 1.471 3.178 . 0 0 "[ . 1 . 2]" 1
539 1 40 LEU HB2 1 41 LEU H . . 4.200 2.738 2.511 3.039 . 0 0 "[ . 1 . 2]" 1
540 1 40 LEU HB2 1 41 LEU MD1 . . 7.300 4.962 4.736 5.147 . 0 0 "[ . 1 . 2]" 1
541 1 40 LEU HB2 1 41 LEU MD2 . . 7.300 4.047 3.457 4.340 . 0 0 "[ . 1 . 2]" 1
542 1 40 LEU HB3 1 41 LEU H . . 4.200 3.290 3.038 3.611 . 0 0 "[ . 1 . 2]" 1
543 1 40 LEU HB3 1 41 LEU MD1 . . 7.300 5.299 4.994 5.697 . 0 0 "[ . 1 . 2]" 1
544 1 40 LEU HB3 1 41 LEU MD2 . . 7.300 3.491 3.009 3.848 . 0 0 "[ . 1 . 2]" 1
545 1 40 LEU QD 1 41 LEU H . . 5.870 3.991 3.922 4.071 . 0 0 "[ . 1 . 2]" 1
546 1 40 LEU QD 1 41 LEU HA . . 7.850 5.121 4.922 5.254 . 0 0 "[ . 1 . 2]" 1
547 1 40 LEU QD 1 41 LEU QD . . 7.840 4.343 4.081 4.551 . 0 0 "[ . 1 . 2]" 1
548 1 40 LEU QD 1 52 PHE HZ . . 6.770 4.714 3.994 5.325 . 0 0 "[ . 1 . 2]" 1
549 1 40 LEU QD 1 64 ARG QB . . 6.070 2.635 2.105 3.005 . 0 0 "[ . 1 . 2]" 1
550 1 40 LEU QD 1 64 ARG QD . . 7.070 3.262 2.756 3.655 . 0 0 "[ . 1 . 2]" 1
551 1 40 LEU QD 1 65 LEU HA . . 4.580 3.222 2.804 3.673 . 0 0 "[ . 1 . 2]" 1
552 1 40 LEU QD 1 65 LEU QD . . 7.840 2.567 2.106 2.939 . 0 0 "[ . 1 . 2]" 1
553 1 40 LEU MD1 1 52 PHE QD . . 10.150 7.021 6.387 7.619 . 0 0 "[ . 1 . 2]" 1
554 1 40 LEU MD1 1 52 PHE QE . . 10.150 5.224 4.551 5.865 . 0 0 "[ . 1 . 2]" 1
555 1 40 LEU MD1 1 52 PHE HZ . . 7.910 4.935 4.140 5.675 . 0 0 "[ . 1 . 2]" 1
556 1 40 LEU MD1 1 64 ARG QB . . 7.030 2.653 2.112 3.036 . 0 0 "[ . 1 . 2]" 1
557 1 40 LEU MD1 1 64 ARG QD . . 8.570 3.286 2.769 3.691 . 0 0 "[ . 1 . 2]" 1
558 1 40 LEU MD2 1 52 PHE QD . . 10.150 6.881 6.425 7.303 . 0 0 "[ . 1 . 2]" 1
559 1 40 LEU MD2 1 52 PHE QE . . 10.150 5.295 4.733 5.877 . 0 0 "[ . 1 . 2]" 1
560 1 40 LEU MD2 1 52 PHE HZ . . 7.910 6.034 5.248 6.852 . 0 0 "[ . 1 . 2]" 1
561 1 40 LEU MD2 1 64 ARG QB . . 7.030 4.531 4.038 5.056 . 0 0 "[ . 1 . 2]" 1
562 1 40 LEU MD2 1 64 ARG QD . . 8.570 5.534 4.990 5.953 . 0 0 "[ . 1 . 2]" 1
563 1 40 LEU HG 1 41 LEU H . . 6.340 5.080 4.847 5.374 . 0 0 "[ . 1 . 2]" 1
564 1 41 LEU H 1 41 LEU HG . . 3.920 2.389 2.250 2.623 . 0 0 "[ . 1 . 2]" 1
565 1 41 LEU H 1 42 SER H . . 4.250 2.415 2.185 2.535 . 0 0 "[ . 1 . 2]" 1
566 1 41 LEU H 1 43 THR H . . 5.960 4.301 3.976 4.694 . 0 0 "[ . 1 . 2]" 1
567 1 41 LEU H 1 43 THR MG . . 6.200 4.021 3.697 4.173 . 0 0 "[ . 1 . 2]" 1
568 1 41 LEU HA 1 43 THR MG . . 8.020 3.958 3.827 4.385 . 0 0 "[ . 1 . 2]" 1
569 1 41 LEU HA 1 61 LEU QD . . 4.770 2.656 2.216 3.275 . 0 0 "[ . 1 . 2]" 1
570 1 41 LEU QB 1 42 SER H . . 6.340 3.096 2.923 3.255 . 0 0 "[ . 1 . 2]" 1
571 1 41 LEU QB 1 43 THR H . . 7.880 3.322 3.048 3.657 . 0 0 "[ . 1 . 2]" 1
572 1 41 LEU QB 1 43 THR HB . . 7.880 4.282 3.194 4.556 . 0 0 "[ . 1 . 2]" 1
573 1 41 LEU QB 1 43 THR MG . . 7.030 1.820 1.763 1.865 . 0 0 "[ . 1 . 2]" 1
574 1 41 LEU QB 1 57 GLY QA . . 7.540 4.396 4.150 4.689 . 0 0 "[ . 1 . 2]" 1
575 1 41 LEU QD 1 42 SER H . . 6.420 4.289 4.214 4.352 . 0 0 "[ . 1 . 2]" 1
576 1 41 LEU QD 1 43 THR H . . 7.850 4.743 4.554 4.955 . 0 0 "[ . 1 . 2]" 1
577 1 41 LEU QD 1 43 THR HB . . 6.740 4.680 4.170 4.968 . 0 0 "[ . 1 . 2]" 1
578 1 41 LEU QD 1 43 THR MG . . 8.000 2.608 2.464 2.711 . 0 0 "[ . 1 . 2]" 1
579 1 41 LEU QD 1 46 VAL QG . . 7.190 2.449 1.865 2.832 . 0 0 "[ . 1 . 2]" 1
580 1 41 LEU QD 1 52 PHE HA . . 6.340 2.576 1.983 2.886 . 0 0 "[ . 1 . 2]" 1
581 1 41 LEU QD 1 52 PHE QD . . 8.830 2.653 2.418 2.797 . 0 0 "[ . 1 . 2]" 1
582 1 41 LEU QD 1 52 PHE HZ . . 6.990 2.902 2.672 3.183 . 0 0 "[ . 1 . 2]" 1
583 1 41 LEU QD 1 53 PHE HA . . 7.850 4.457 4.019 4.862 . 0 0 "[ . 1 . 2]" 1
584 1 41 LEU QD 1 55 GLN H . . 6.400 4.057 3.539 4.416 . 0 0 "[ . 1 . 2]" 1
585 1 41 LEU QD 1 55 GLN HA . . 5.960 4.431 4.179 4.688 . 0 0 "[ . 1 . 2]" 1
586 1 41 LEU QD 1 55 GLN QB . . 4.730 2.117 1.724 2.470 . 0 0 "[ . 1 . 2]" 1
587 1 41 LEU QD 1 55 GLN QG . . 7.570 2.378 2.000 3.214 . 0 0 "[ . 1 . 2]" 1
588 1 41 LEU QD 1 56 GLY H . . 6.670 4.126 3.906 4.461 . 0 0 "[ . 1 . 2]" 1
589 1 41 LEU QD 1 56 GLY QA . . 5.900 3.933 3.293 4.260 . 0 0 "[ . 1 . 2]" 1
590 1 41 LEU QD 1 57 GLY H . . 5.190 2.903 2.511 3.142 . 0 0 "[ . 1 . 2]" 1
591 1 41 LEU QD 1 57 GLY QA . . 5.620 2.090 1.981 2.235 . 0 0 "[ . 1 . 2]" 1
592 1 41 LEU QD 1 58 ASP H . . 6.850 3.861 3.605 4.231 . 0 0 "[ . 1 . 2]" 1
593 1 41 LEU QD 1 61 LEU HA . . 7.640 5.378 4.981 5.641 . 0 0 "[ . 1 . 2]" 1
594 1 41 LEU QD 1 61 LEU QD . . 7.350 1.922 1.765 2.169 . 0 0 "[ . 1 . 2]" 1
595 1 41 LEU MD1 1 43 THR HB . . 8.020 4.785 4.320 5.088 . 0 0 "[ . 1 . 2]" 1
596 1 41 LEU MD1 1 43 THR MG . . 9.040 2.646 2.493 2.760 . 0 0 "[ . 1 . 2]" 1
597 1 41 LEU MD1 1 50 THR MG . . 9.040 3.602 3.221 4.095 . 0 0 "[ . 1 . 2]" 1
598 1 41 LEU MD1 1 52 PHE QD . . 10.150 2.782 2.478 3.044 . 0 0 "[ . 1 . 2]" 1
599 1 41 LEU MD1 1 52 PHE QE . . 10.150 3.378 3.055 3.721 . 0 0 "[ . 1 . 2]" 1
600 1 41 LEU MD1 1 52 PHE HZ . . 8.020 4.636 4.219 5.069 . 0 0 "[ . 1 . 2]" 1
601 1 41 LEU MD1 1 55 GLN HA . . 7.080 4.603 4.272 4.886 . 0 0 "[ . 1 . 2]" 1
602 1 41 LEU MD1 1 55 GLN HB2 . . 6.860 3.131 1.754 3.737 . 0 0 "[ . 1 . 2]" 1
603 1 41 LEU MD1 1 55 GLN HB3 . . 6.860 2.310 1.863 3.033 . 0 0 "[ . 1 . 2]" 1
604 1 41 LEU MD1 1 55 GLN QG . . 8.900 2.393 2.007 3.245 . 0 0 "[ . 1 . 2]" 1
605 1 41 LEU MD1 1 56 GLY H . . 8.020 4.624 4.158 5.073 . 0 0 "[ . 1 . 2]" 1
606 1 41 LEU MD1 1 56 GLY HA2 . . 8.020 5.874 4.918 6.300 . 0 0 "[ . 1 . 2]" 1
607 1 41 LEU MD1 1 56 GLY HA3 . . 8.020 5.109 4.038 5.586 . 0 0 "[ . 1 . 2]" 1
608 1 41 LEU MD1 1 57 GLY HA2 . . 8.020 4.430 3.727 4.963 . 0 0 "[ . 1 . 2]" 1
609 1 41 LEU MD1 1 57 GLY HA3 . . 8.020 3.710 3.240 4.137 . 0 0 "[ . 1 . 2]" 1
610 1 41 LEU MD2 1 43 THR HB . . 8.020 6.630 5.499 6.952 . 0 0 "[ . 1 . 2]" 1
611 1 41 LEU MD2 1 43 THR MG . . 9.040 3.948 3.799 4.275 . 0 0 "[ . 1 . 2]" 1
612 1 41 LEU MD2 1 50 THR MG . . 9.040 5.590 5.149 6.195 . 0 0 "[ . 1 . 2]" 1
613 1 41 LEU MD2 1 52 PHE QD . . 10.150 3.387 3.038 3.619 . 0 0 "[ . 1 . 2]" 1
614 1 41 LEU MD2 1 52 PHE QE . . 10.150 2.769 2.566 2.906 . 0 0 "[ . 1 . 2]" 1
615 1 41 LEU MD2 1 52 PHE HZ . . 8.020 2.933 2.698 3.223 . 0 0 "[ . 1 . 2]" 1
616 1 41 LEU MD2 1 55 GLN HA . . 7.080 5.806 5.147 6.216 . 0 0 "[ . 1 . 2]" 1
617 1 41 LEU MD2 1 55 GLN HB2 . . 6.860 4.928 3.250 5.935 . 0 0 "[ . 1 . 2]" 1
618 1 41 LEU MD2 1 55 GLN HB3 . . 6.860 3.904 3.415 4.826 . 0 0 "[ . 1 . 2]" 1
619 1 41 LEU MD2 1 55 GLN QG . . 8.900 4.130 3.514 5.200 . 0 0 "[ . 1 . 2]" 1
620 1 41 LEU MD2 1 56 GLY H . . 8.020 4.669 4.382 5.089 . 0 0 "[ . 1 . 2]" 1
621 1 41 LEU MD2 1 56 GLY HA2 . . 8.020 5.163 4.531 5.545 . 0 0 "[ . 1 . 2]" 1
622 1 41 LEU MD2 1 56 GLY HA3 . . 8.020 4.426 3.736 4.884 . 0 0 "[ . 1 . 2]" 1
623 1 41 LEU MD2 1 57 GLY HA2 . . 8.020 2.455 2.156 2.871 . 0 0 "[ . 1 . 2]" 1
624 1 41 LEU MD2 1 57 GLY HA3 . . 8.020 2.342 2.110 2.630 . 0 0 "[ . 1 . 2]" 1
625 1 41 LEU HG 1 42 SER H . . 5.240 4.460 4.339 4.616 . 0 0 "[ . 1 . 2]" 1
626 1 41 LEU HG 1 43 THR H . . 7.000 5.553 5.188 5.857 . 0 0 "[ . 1 . 2]" 1
627 1 41 LEU HG 1 43 THR HB . . 7.000 6.761 5.938 7.071 0.071 11 0 "[ . 1 . 2]" 1
628 1 41 LEU HG 1 43 THR MG . . 4.220 3.947 3.840 4.016 . 0 0 "[ . 1 . 2]" 1
629 1 42 SER H 1 43 THR MG . . 5.820 3.635 3.424 3.884 . 0 0 "[ . 1 . 2]" 1
630 1 42 SER QB 1 43 THR H . . 7.880 3.965 3.917 4.079 . 0 0 "[ . 1 . 2]" 1
631 1 43 THR H 1 43 THR MG . . 4.610 2.581 1.981 2.935 . 0 0 "[ . 1 . 2]" 1
632 1 43 THR H 1 44 GLY H . . 4.630 4.545 4.483 4.581 . 0 0 "[ . 1 . 2]" 1
633 1 43 THR HA 1 44 GLY QA . . 5.400 3.968 3.919 4.031 . 0 0 "[ . 1 . 2]" 1
634 1 43 THR HA 1 45 ASN H . . 7.000 4.476 4.068 5.229 . 0 0 "[ . 1 . 2]" 1
635 1 43 THR HA 1 55 GLN QG . . 7.880 5.413 4.856 6.971 . 0 0 "[ . 1 . 2]" 1
636 1 43 THR HB 1 44 GLY H . . 7.000 2.713 2.147 3.810 . 0 0 "[ . 1 . 2]" 1
637 1 43 THR HB 1 45 ASN H . . 7.000 3.158 2.584 4.321 . 0 0 "[ . 1 . 2]" 1
638 1 43 THR HB 1 46 VAL QG . . 5.370 2.979 2.499 3.939 . 0 0 "[ . 1 . 2]" 1
639 1 43 THR HB 1 55 GLN HB2 . . 7.000 6.438 5.807 6.939 . 0 0 "[ . 1 . 2]" 1
640 1 43 THR HB 1 55 GLN HB3 . . 7.000 6.170 4.484 7.118 0.118 7 0 "[ . 1 . 2]" 1
641 1 43 THR HB 1 55 GLN QG . . 6.290 4.081 2.823 5.278 . 0 0 "[ . 1 . 2]" 1
642 1 43 THR MG 1 44 GLY H . . 6.530 3.823 3.639 3.989 . 0 0 "[ . 1 . 2]" 1
643 1 43 THR MG 1 44 GLY HA2 . . 8.020 5.683 4.579 5.795 . 0 0 "[ . 1 . 2]" 1
644 1 43 THR MG 1 44 GLY HA3 . . 8.020 5.633 4.959 5.804 . 0 0 "[ . 1 . 2]" 1
645 1 43 THR MG 1 45 ASN H . . 5.490 4.571 3.031 5.081 . 0 0 "[ . 1 . 2]" 1
646 1 43 THR MG 1 55 GLN HB2 . . 5.650 4.282 3.206 4.696 . 0 0 "[ . 1 . 2]" 1
647 1 43 THR MG 1 55 GLN HB3 . . 5.650 3.762 2.169 4.474 . 0 0 "[ . 1 . 2]" 1
648 1 43 THR MG 1 55 GLN QG . . 7.640 2.305 1.814 3.525 . 0 0 "[ . 1 . 2]" 1
649 1 44 GLY QA 1 45 ASN HA . . 6.020 4.151 4.058 4.195 . 0 0 "[ . 1 . 2]" 1
650 1 44 GLY HA2 1 46 VAL MG1 . . 8.020 6.249 5.759 6.519 . 0 0 "[ . 1 . 2]" 1
651 1 44 GLY HA2 1 46 VAL MG2 . . 8.020 6.930 6.324 7.219 . 0 0 "[ . 1 . 2]" 1
652 1 44 GLY HA3 1 46 VAL MG1 . . 8.020 6.148 5.813 6.620 . 0 0 "[ . 1 . 2]" 1
653 1 44 GLY HA3 1 46 VAL MG2 . . 8.020 7.116 6.610 7.285 . 0 0 "[ . 1 . 2]" 1
654 1 45 ASN H 1 46 VAL H . . 4.420 4.060 3.572 4.361 . 0 0 "[ . 1 . 2]" 1
655 1 45 ASN HA 1 46 VAL QG . . 7.740 3.491 3.339 3.672 . 0 0 "[ . 1 . 2]" 1
656 1 45 ASN HA 1 47 THR MG . . 6.860 5.064 4.100 5.682 . 0 0 "[ . 1 . 2]" 1
657 1 45 ASN QB 1 46 VAL H . . 4.430 3.503 2.621 4.061 . 0 0 "[ . 1 . 2]" 1
658 1 45 ASN QB 1 46 VAL QG . . 6.990 4.396 4.064 4.675 . 0 0 "[ . 1 . 2]" 1
659 1 45 ASN QB 1 47 THR MG . . 5.850 3.675 2.408 4.564 . 0 0 "[ . 1 . 2]" 1
660 1 45 ASN HB2 1 46 VAL H . . 5.290 3.951 2.663 4.585 . 0 0 "[ . 1 . 2]" 1
661 1 45 ASN HB3 1 46 VAL H . . 5.290 4.103 3.391 4.534 . 0 0 "[ . 1 . 2]" 1
662 1 46 VAL H 1 46 VAL HB . . 3.870 3.804 3.671 3.935 0.065 9 0 "[ . 1 . 2]" 1
663 1 46 VAL H 1 46 VAL QG . . 4.250 2.128 1.885 2.353 . 0 0 "[ . 1 . 2]" 1
664 1 46 VAL H 1 47 THR H . . 5.510 4.428 4.239 4.624 . 0 0 "[ . 1 . 2]" 1
665 1 46 VAL HA 1 50 THR MG . . 6.750 2.819 2.410 3.381 . 0 0 "[ . 1 . 2]" 1
666 1 46 VAL HA 1 87 LEU MD1 . . 8.020 4.344 3.923 6.422 . 0 0 "[ . 1 . 2]" 1
667 1 46 VAL HA 1 87 LEU MD2 . . 8.020 6.634 5.462 7.060 . 0 0 "[ . 1 . 2]" 1
668 1 46 VAL HB 1 47 THR H . . 5.350 2.934 2.544 3.291 . 0 0 "[ . 1 . 2]" 1
669 1 46 VAL QG 1 47 THR H . . 4.300 3.409 3.173 3.558 . 0 0 "[ . 1 . 2]" 1
670 1 46 VAL QG 1 50 THR H . . 7.850 5.181 4.968 5.418 . 0 0 "[ . 1 . 2]" 1
671 1 46 VAL QG 1 50 THR MG . . 6.950 2.040 1.767 2.284 . 0 0 "[ . 1 . 2]" 1
672 1 46 VAL QG 1 87 LEU QD . . 6.950 2.114 1.965 2.602 . 0 0 "[ . 1 . 2]" 1
673 1 46 VAL MG1 1 87 LEU MD1 . . 9.040 3.681 3.355 4.879 . 0 0 "[ . 1 . 2]" 1
674 1 46 VAL MG1 1 87 LEU MD2 . . 9.040 5.763 5.049 6.049 . 0 0 "[ . 1 . 2]" 1
675 1 46 VAL MG2 1 87 LEU MD1 . . 9.040 2.162 1.980 3.122 . 0 0 "[ . 1 . 2]" 1
676 1 46 VAL MG2 1 87 LEU MD2 . . 9.040 3.949 2.815 4.239 . 0 0 "[ . 1 . 2]" 1
677 1 47 THR H 1 47 THR MG . . 4.440 2.879 2.612 3.141 . 0 0 "[ . 1 . 2]" 1
678 1 47 THR H 1 49 GLU H . . 5.960 4.724 4.382 5.125 . 0 0 "[ . 1 . 2]" 1
679 1 47 THR H 1 50 THR H . . 5.190 3.472 3.002 3.876 . 0 0 "[ . 1 . 2]" 1
680 1 47 THR H 1 87 LEU QD . . 7.270 3.572 3.256 4.143 . 0 0 "[ . 1 . 2]" 1
681 1 47 THR HA 1 49 GLU H . . 7.000 4.662 4.219 5.193 . 0 0 "[ . 1 . 2]" 1
682 1 47 THR HA 1 50 THR H . . 7.000 4.754 4.486 5.000 . 0 0 "[ . 1 . 2]" 1
683 1 47 THR HA 1 87 LEU MD1 . . 8.020 3.404 2.887 5.452 . 0 0 "[ . 1 . 2]" 1
684 1 47 THR HA 1 87 LEU QD . . 6.640 3.226 2.865 3.906 . 0 0 "[ . 1 . 2]" 1
685 1 47 THR HA 1 87 LEU MD2 . . 8.020 4.612 3.229 5.112 . 0 0 "[ . 1 . 2]" 1
686 1 47 THR HB 1 48 ARG H . . 4.030 2.098 1.886 2.339 . 0 0 "[ . 1 . 2]" 1
687 1 47 THR HB 1 49 GLU H . . 4.860 3.329 2.888 4.014 . 0 0 "[ . 1 . 2]" 1
688 1 47 THR HB 1 50 THR H . . 5.080 4.331 3.977 4.736 . 0 0 "[ . 1 . 2]" 1
689 1 47 THR HB 1 87 LEU QD . . 6.260 4.815 4.583 5.091 . 0 0 "[ . 1 . 2]" 1
690 1 47 THR MG 1 48 ARG H . . 5.540 3.599 3.491 3.758 . 0 0 "[ . 1 . 2]" 1
691 1 47 THR MG 1 49 GLU H . . 6.150 4.693 4.218 5.226 . 0 0 "[ . 1 . 2]" 1
692 1 47 THR MG 1 50 THR H . . 6.040 4.908 4.233 5.277 . 0 0 "[ . 1 . 2]" 1
693 1 48 ARG H 1 49 GLU H . . 4.580 2.806 2.438 3.022 . 0 0 "[ . 1 . 2]" 1
694 1 48 ARG H 1 50 THR H . . 5.400 4.109 3.716 4.285 . 0 0 "[ . 1 . 2]" 1
695 1 48 ARG H 1 87 LEU QD . . 7.640 3.890 3.063 4.262 . 0 0 "[ . 1 . 2]" 1
696 1 48 ARG HA 1 87 LEU H . . 5.790 3.936 2.877 4.930 . 0 0 "[ . 1 . 2]" 1
697 1 48 ARG HA 1 87 LEU HA . . 5.460 5.047 4.534 5.826 0.366 3 0 "[ . 1 . 2]" 1
698 1 48 ARG HA 1 87 LEU QB . . 4.950 2.170 1.637 2.844 . 0 0 "[ . 1 . 2]" 1
699 1 48 ARG HA 1 87 LEU MD1 . . 6.700 3.476 2.750 4.297 . 0 0 "[ . 1 . 2]" 1
700 1 48 ARG HA 1 87 LEU QD . . 5.410 2.757 2.132 3.390 . 0 0 "[ . 1 . 2]" 1
701 1 48 ARG HA 1 87 LEU MD2 . . 6.700 2.932 2.138 3.650 . 0 0 "[ . 1 . 2]" 1
702 1 48 ARG HA 1 87 LEU HG . . 7.000 4.898 3.344 5.399 . 0 0 "[ . 1 . 2]" 1
703 1 48 ARG HA 1 88 ALA H . . 4.910 2.764 2.120 3.757 . 0 0 "[ . 1 . 2]" 1
704 1 48 ARG HA 1 88 ALA MB . . 5.930 2.838 2.283 3.478 . 0 0 "[ . 1 . 2]" 1
705 1 48 ARG QD 1 87 LEU QD . . 8.670 5.407 4.387 5.782 . 0 0 "[ . 1 . 2]" 1
706 1 48 ARG QG 1 49 GLU H . . 7.880 2.947 2.072 4.492 . 0 0 "[ . 1 . 2]" 1
707 1 49 GLU H 1 49 GLU QB . . 3.660 2.500 2.217 2.687 . 0 0 "[ . 1 . 2]" 1
708 1 49 GLU H 1 49 GLU QG . . 5.000 2.954 1.958 4.130 . 0 0 "[ . 1 . 2]" 1
709 1 49 GLU H 1 50 THR H . . 3.920 2.430 2.242 2.613 . 0 0 "[ . 1 . 2]" 1
710 1 49 GLU H 1 50 THR HB . . 5.080 4.721 4.389 4.952 . 0 0 "[ . 1 . 2]" 1
711 1 49 GLU H 1 87 LEU QD . . 7.850 4.866 4.547 5.491 . 0 0 "[ . 1 . 2]" 1
712 1 49 GLU HA 1 49 GLU QG . . 3.680 2.845 2.338 3.556 . 0 0 "[ . 1 . 2]" 1
713 1 49 GLU HA 1 86 ARG H . . 5.290 5.786 5.163 6.235 0.945 7 11 "[** *. + *1 * *. ***-]" 1
714 1 49 GLU HA 1 86 ARG HD2 . . 5.740 3.653 2.117 4.849 . 0 0 "[ . 1 . 2]" 1
715 1 49 GLU HA 1 86 ARG HD3 . . 5.740 4.173 1.795 5.253 . 0 0 "[ . 1 . 2]" 1
716 1 49 GLU HA 1 87 LEU H . . 6.070 3.826 2.851 4.670 . 0 0 "[ . 1 . 2]" 1
717 1 49 GLU HA 1 88 ALA H . . 5.790 4.589 3.463 6.043 0.253 14 0 "[ . 1 . 2]" 1
718 1 49 GLU QB 1 50 THR H . . 4.330 3.571 3.055 3.927 . 0 0 "[ . 1 . 2]" 1
719 1 49 GLU QB 1 86 ARG QD . . 5.140 4.027 2.502 4.697 . 0 0 "[ . 1 . 2]" 1
720 1 49 GLU QG 1 50 THR H . . 5.490 4.252 2.480 4.705 . 0 0 "[ . 1 . 2]" 1
721 1 49 GLU HG2 1 86 ARG HD2 . . 7.000 5.487 3.196 7.572 0.572 15 1 "[ . 1 + 2]" 1
722 1 49 GLU HG2 1 86 ARG HD3 . . 7.000 6.163 3.444 7.889 0.889 20 1 "[ . 1 . +]" 1
723 1 49 GLU HG3 1 86 ARG HD2 . . 7.000 5.640 2.033 7.727 0.727 15 1 "[ . 1 + 2]" 1
724 1 49 GLU HG3 1 86 ARG HD3 . . 7.000 6.499 3.064 7.624 0.624 16 2 "[ . 1 .+- 2]" 1
725 1 50 THR H 1 50 THR HB . . 3.870 2.494 2.349 2.640 . 0 0 "[ . 1 . 2]" 1
726 1 50 THR H 1 51 ASP H . . 5.400 4.518 4.408 4.614 . 0 0 "[ . 1 . 2]" 1
727 1 50 THR H 1 87 LEU MD1 . . 7.800 4.398 3.880 6.061 . 0 0 "[ . 1 . 2]" 1
728 1 50 THR H 1 87 LEU MD2 . . 7.800 5.561 4.752 6.295 . 0 0 "[ . 1 . 2]" 1
729 1 50 THR HB 1 51 ASP H . . 5.460 4.224 4.082 4.358 . 0 0 "[ . 1 . 2]" 1
730 1 50 THR HB 1 87 LEU QD . . 6.460 3.261 2.709 4.271 . 0 0 "[ . 1 . 2]" 1
731 1 50 THR HB 1 87 LEU HG . . 7.000 5.385 4.787 6.831 . 0 0 "[ . 1 . 2]" 1
732 1 50 THR MG 1 51 ASP H . . 4.880 2.752 2.497 2.963 . 0 0 "[ . 1 . 2]" 1
733 1 50 THR MG 1 51 ASP HA . . 8.020 3.940 3.734 4.113 . 0 0 "[ . 1 . 2]" 1
734 1 50 THR MG 1 52 PHE HA . . 7.080 3.768 3.297 4.056 . 0 0 "[ . 1 . 2]" 1
735 1 50 THR MG 1 55 GLN QB . . 4.090 2.616 2.203 3.530 . 0 0 "[ . 1 . 2]" 1
736 1 50 THR MG 1 55 GLN QG . . 7.090 2.665 1.831 3.734 . 0 0 "[ . 1 . 2]" 1
737 1 50 THR MG 1 86 ARG HA . . 8.020 5.187 4.771 5.733 . 0 0 "[ . 1 . 2]" 1
738 1 50 THR MG 1 87 LEU QB . . 6.930 4.105 3.549 4.726 . 0 0 "[ . 1 . 2]" 1
739 1 50 THR MG 1 87 LEU MD1 . . 9.040 3.919 3.263 5.487 . 0 0 "[ . 1 . 2]" 1
740 1 50 THR MG 1 87 LEU QD . . 7.690 3.841 3.237 4.827 . 0 0 "[ . 1 . 2]" 1
741 1 50 THR MG 1 87 LEU MD2 . . 9.040 5.869 5.354 6.222 . 0 0 "[ . 1 . 2]" 1
742 1 51 ASP H 1 52 PHE H . . 5.190 4.485 4.377 4.563 . 0 0 "[ . 1 . 2]" 1
743 1 51 ASP HA 1 53 PHE H . . 5.350 4.286 4.026 4.652 . 0 0 "[ . 1 . 2]" 1
744 1 51 ASP HA 1 54 GLN H . . 6.400 4.611 4.210 4.954 . 0 0 "[ . 1 . 2]" 1
745 1 51 ASP HA 1 54 GLN HB2 . . 5.790 5.466 4.446 5.908 0.118 6 0 "[ . 1 . 2]" 1
746 1 51 ASP HA 1 54 GLN HB3 . . 5.790 4.624 4.306 5.091 . 0 0 "[ . 1 . 2]" 1
747 1 51 ASP HA 1 86 ARG HA . . 3.920 2.886 2.406 4.199 0.279 14 0 "[ . 1 . 2]" 1
748 1 51 ASP HA 1 86 ARG HD2 . . 7.000 4.998 3.836 6.446 . 0 0 "[ . 1 . 2]" 1
749 1 51 ASP HA 1 86 ARG HD3 . . 7.000 4.590 2.993 6.365 . 0 0 "[ . 1 . 2]" 1
750 1 51 ASP HA 1 87 LEU H . . 7.000 4.222 3.639 4.957 . 0 0 "[ . 1 . 2]" 1
751 1 51 ASP QB 1 54 GLN QB . . 4.580 1.822 1.496 2.444 . 0 0 "[ . 1 . 2]" 1
752 1 51 ASP HB2 1 86 ARG HA . . 7.000 5.159 3.909 6.750 . 0 0 "[ . 1 . 2]" 1
753 1 51 ASP HB2 1 86 ARG HD2 . . 7.000 5.587 3.198 7.454 0.454 7 0 "[ . 1 . 2]" 1
754 1 51 ASP HB2 1 86 ARG HD3 . . 7.000 5.572 2.955 7.693 0.693 14 3 "[ . 1 - +* 2]" 1
755 1 51 ASP HB3 1 86 ARG HA . . 7.000 4.922 4.227 6.201 . 0 0 "[ . 1 . 2]" 1
756 1 51 ASP HB3 1 86 ARG HD2 . . 7.000 5.655 4.383 7.464 0.464 7 0 "[ . 1 . 2]" 1
757 1 51 ASP HB3 1 86 ARG HD3 . . 7.000 5.414 4.222 7.072 0.072 14 0 "[ . 1 . 2]" 1
758 1 52 PHE H 1 53 PHE H . . 5.130 2.833 2.644 3.042 . 0 0 "[ . 1 . 2]" 1
759 1 52 PHE H 1 54 GLN H . . 5.190 4.237 3.902 4.443 . 0 0 "[ . 1 . 2]" 1
760 1 52 PHE H 1 81 LEU QD . . 6.910 4.095 3.428 4.742 . 0 0 "[ . 1 . 2]" 1
761 1 52 PHE H 1 87 LEU QD . . 7.850 6.044 5.563 6.479 . 0 0 "[ . 1 . 2]" 1
762 1 52 PHE HA 1 53 PHE HA . . 5.510 4.768 4.718 4.808 . 0 0 "[ . 1 . 2]" 1
763 1 52 PHE HA 1 53 PHE QE . . 9.130 6.335 6.112 6.504 . 0 0 "[ . 1 . 2]" 1
764 1 52 PHE HA 1 81 LEU MD1 . . 8.020 6.065 5.179 7.338 . 0 0 "[ . 1 . 2]" 1
765 1 52 PHE HA 1 81 LEU MD2 . . 8.020 4.694 4.371 5.440 . 0 0 "[ . 1 . 2]" 1
766 1 52 PHE QB 1 53 PHE H . . 4.050 2.388 2.205 2.565 . 0 0 "[ . 1 . 2]" 1
767 1 52 PHE QB 1 81 LEU QD . . 5.060 2.408 2.069 2.939 . 0 0 "[ . 1 . 2]" 1
768 1 52 PHE QB 1 90 PHE QD . . 8.690 5.399 5.009 5.996 . 0 0 "[ . 1 . 2]" 1
769 1 52 PHE HB2 1 53 PHE H . . 4.630 3.733 3.668 3.833 . 0 0 "[ . 1 . 2]" 1
770 1 52 PHE HB2 1 53 PHE QD . . 9.130 4.590 4.150 4.844 . 0 0 "[ . 1 . 2]" 1
771 1 52 PHE HB2 1 53 PHE QE . . 9.130 4.870 4.621 5.146 . 0 0 "[ . 1 . 2]" 1
772 1 52 PHE HB2 1 81 LEU MD1 . . 7.410 4.362 3.401 5.400 . 0 0 "[ . 1 . 2]" 1
773 1 52 PHE HB2 1 81 LEU MD2 . . 7.410 2.630 2.261 3.247 . 0 0 "[ . 1 . 2]" 1
774 1 52 PHE HB3 1 53 PHE H . . 4.630 2.417 2.223 2.605 . 0 0 "[ . 1 . 2]" 1
775 1 52 PHE HB3 1 53 PHE QD . . 9.130 3.076 2.413 3.503 . 0 0 "[ . 1 . 2]" 1
776 1 52 PHE HB3 1 53 PHE QE . . 9.130 3.604 3.296 3.835 . 0 0 "[ . 1 . 2]" 1
777 1 52 PHE HB3 1 81 LEU MD1 . . 7.410 4.356 3.277 5.388 . 0 0 "[ . 1 . 2]" 1
778 1 52 PHE HB3 1 81 LEU MD2 . . 7.410 2.889 2.475 3.571 . 0 0 "[ . 1 . 2]" 1
779 1 52 PHE QD 1 53 PHE H . . 9.070 3.451 3.130 3.745 . 0 0 "[ . 1 . 2]" 1
780 1 52 PHE QD 1 53 PHE QD . . 11.260 3.379 2.478 3.872 . 0 0 "[ . 1 . 2]" 1
781 1 52 PHE QD 1 53 PHE QE . . 11.260 3.526 2.878 4.187 . 0 0 "[ . 1 . 2]" 1
782 1 52 PHE QD 1 53 PHE HZ . . 9.130 4.140 3.667 4.938 . 0 0 "[ . 1 . 2]" 1
783 1 52 PHE QD 1 57 GLY HA2 . . 9.130 4.609 4.137 4.944 . 0 0 "[ . 1 . 2]" 1
784 1 52 PHE QD 1 57 GLY HA3 . . 9.130 3.194 2.743 3.516 . 0 0 "[ . 1 . 2]" 1
785 1 52 PHE QD 1 61 LEU MD1 . . 10.150 5.183 4.399 5.567 . 0 0 "[ . 1 . 2]" 1
786 1 52 PHE QD 1 61 LEU MD2 . . 10.150 4.650 4.312 6.648 . 0 0 "[ . 1 . 2]" 1
787 1 52 PHE QD 1 62 ALA HA . . 9.130 4.369 4.010 4.771 . 0 0 "[ . 1 . 2]" 1
788 1 52 PHE QD 1 62 ALA MB . . 9.540 3.106 2.791 3.465 . 0 0 "[ . 1 . 2]" 1
789 1 52 PHE QD 1 65 LEU MD1 . . 10.150 4.000 3.707 4.382 . 0 0 "[ . 1 . 2]" 1
790 1 52 PHE QD 1 65 LEU MD2 . . 10.150 4.284 3.858 4.741 . 0 0 "[ . 1 . 2]" 1
791 1 52 PHE QD 1 81 LEU MD1 . . 10.150 3.684 3.001 5.003 . 0 0 "[ . 1 . 2]" 1
792 1 52 PHE QD 1 81 LEU MD2 . . 10.150 3.195 2.899 3.839 . 0 0 "[ . 1 . 2]" 1
793 1 52 PHE QE 1 53 PHE HA . . 9.130 4.715 4.414 5.100 . 0 0 "[ . 1 . 2]" 1
794 1 52 PHE QE 1 53 PHE QD . . 11.260 4.598 3.870 5.304 . 0 0 "[ . 1 . 2]" 1
795 1 52 PHE QE 1 53 PHE QE . . 11.260 4.208 3.322 5.288 . 0 0 "[ . 1 . 2]" 1
796 1 52 PHE QE 1 57 GLY H . . 9.130 5.114 4.870 5.490 . 0 0 "[ . 1 . 2]" 1
797 1 52 PHE QE 1 57 GLY HA2 . . 9.130 3.796 3.476 4.135 . 0 0 "[ . 1 . 2]" 1
798 1 52 PHE QE 1 57 GLY HA3 . . 9.130 3.072 2.849 3.421 . 0 0 "[ . 1 . 2]" 1
799 1 52 PHE QE 1 58 ASP H . . 7.760 3.145 2.296 3.838 . 0 0 "[ . 1 . 2]" 1
800 1 52 PHE QE 1 58 ASP HA . . 9.130 4.518 4.066 4.921 . 0 0 "[ . 1 . 2]" 1
801 1 52 PHE QE 1 59 SER QB . . 10.010 5.937 5.424 6.588 . 0 0 "[ . 1 . 2]" 1
802 1 52 PHE QE 1 61 LEU H . . 9.130 4.462 4.116 5.162 . 0 0 "[ . 1 . 2]" 1
803 1 52 PHE QE 1 61 LEU HB2 . . 9.130 4.171 2.540 5.099 . 0 0 "[ . 1 . 2]" 1
804 1 52 PHE QE 1 61 LEU HB3 . . 9.130 2.730 1.662 3.551 . 0 0 "[ . 1 . 2]" 1
805 1 52 PHE QE 1 61 LEU MD1 . . 10.150 3.887 2.961 4.419 . 0 0 "[ . 1 . 2]" 1
806 1 52 PHE QE 1 61 LEU MD2 . . 10.150 3.022 2.563 5.000 . 0 0 "[ . 1 . 2]" 1
807 1 52 PHE QE 1 61 LEU HG . . 9.130 5.148 4.527 5.373 . 0 0 "[ . 1 . 2]" 1
808 1 52 PHE QE 1 62 ALA H . . 7.810 2.940 2.691 3.335 . 0 0 "[ . 1 . 2]" 1
809 1 52 PHE QE 1 62 ALA HA . . 9.130 3.007 2.642 3.209 . 0 0 "[ . 1 . 2]" 1
810 1 52 PHE QE 1 62 ALA MB . . 9.160 2.305 1.928 2.962 . 0 0 "[ . 1 . 2]" 1
811 1 52 PHE QE 1 65 LEU HA . . 9.130 4.996 4.669 5.334 . 0 0 "[ . 1 . 2]" 1
812 1 52 PHE QE 1 65 LEU QB . . 8.690 2.952 2.687 3.147 . 0 0 "[ . 1 . 2]" 1
813 1 52 PHE QE 1 65 LEU MD1 . . 10.150 3.624 2.829 3.941 . 0 0 "[ . 1 . 2]" 1
814 1 52 PHE QE 1 65 LEU MD2 . . 10.150 2.887 2.388 3.348 . 0 0 "[ . 1 . 2]" 1
815 1 52 PHE QE 1 81 LEU MD1 . . 10.150 3.686 2.828 5.186 . 0 0 "[ . 1 . 2]" 1
816 1 52 PHE QE 1 81 LEU MD2 . . 10.150 4.135 3.407 4.781 . 0 0 "[ . 1 . 2]" 1
817 1 52 PHE HZ 1 57 GLY HA2 . . 7.000 4.502 4.072 4.955 . 0 0 "[ . 1 . 2]" 1
818 1 52 PHE HZ 1 57 GLY HA3 . . 7.000 4.064 3.695 4.695 . 0 0 "[ . 1 . 2]" 1
819 1 52 PHE HZ 1 58 ASP H . . 4.690 4.452 3.944 4.925 0.235 18 0 "[ . 1 . 2]" 1
820 1 52 PHE HZ 1 61 LEU H . . 7.000 5.230 4.662 5.596 . 0 0 "[ . 1 . 2]" 1
821 1 52 PHE HZ 1 61 LEU HB2 . . 6.620 4.406 2.744 5.022 . 0 0 "[ . 1 . 2]" 1
822 1 52 PHE HZ 1 61 LEU HB3 . . 6.620 2.831 2.328 3.424 . 0 0 "[ . 1 . 2]" 1
823 1 52 PHE HZ 1 61 LEU MD1 . . 7.960 3.702 3.036 4.312 . 0 0 "[ . 1 . 2]" 1
824 1 52 PHE HZ 1 61 LEU QD . . 7.040 1.959 1.720 3.658 . 0 0 "[ . 1 . 2]" 1
825 1 52 PHE HZ 1 61 LEU MD2 . . 7.960 2.010 1.726 4.572 . 0 0 "[ . 1 . 2]" 1
826 1 52 PHE HZ 1 61 LEU HG . . 7.000 4.545 4.254 5.079 . 0 0 "[ . 1 . 2]" 1
827 1 52 PHE HZ 1 62 ALA H . . 5.290 3.810 3.311 4.166 . 0 0 "[ . 1 . 2]" 1
828 1 52 PHE HZ 1 62 ALA HA . . 6.400 2.785 2.293 3.110 . 0 0 "[ . 1 . 2]" 1
829 1 52 PHE HZ 1 62 ALA MB . . 6.750 3.677 3.242 4.121 . 0 0 "[ . 1 . 2]" 1
830 1 52 PHE HZ 1 65 LEU HA . . 7.000 5.246 4.998 5.489 . 0 0 "[ . 1 . 2]" 1
831 1 52 PHE HZ 1 65 LEU QB . . 6.740 2.738 2.413 2.953 . 0 0 "[ . 1 . 2]" 1
832 1 52 PHE HZ 1 65 LEU MD1 . . 8.020 4.720 3.517 5.152 . 0 0 "[ . 1 . 2]" 1
833 1 52 PHE HZ 1 65 LEU QD . . 7.070 3.775 3.350 4.140 . 0 0 "[ . 1 . 2]" 1
834 1 52 PHE HZ 1 65 LEU MD2 . . 8.020 4.046 3.409 4.495 . 0 0 "[ . 1 . 2]" 1
835 1 52 PHE HZ 1 81 LEU MD1 . . 8.020 4.240 3.116 5.955 . 0 0 "[ . 1 . 2]" 1
836 1 52 PHE HZ 1 81 LEU QD . . 7.090 3.995 3.064 4.776 . 0 0 "[ . 1 . 2]" 1
837 1 52 PHE HZ 1 81 LEU MD2 . . 8.020 5.140 4.192 5.891 . 0 0 "[ . 1 . 2]" 1
838 1 53 PHE H 1 54 GLN H . . 4.030 2.553 2.409 2.656 . 0 0 "[ . 1 . 2]" 1
839 1 53 PHE H 1 55 GLN H . . 3.750 3.997 3.830 4.153 0.403 4 0 "[ . 1 . 2]" 1
840 1 53 PHE HA 1 53 PHE HZ . . 7.000 6.012 5.882 6.079 . 0 0 "[ . 1 . 2]" 1
841 1 53 PHE HA 1 55 GLN H . . 5.900 4.159 3.814 4.341 . 0 0 "[ . 1 . 2]" 1
842 1 53 PHE HA 1 56 GLY H . . 5.290 3.773 3.321 4.500 . 0 0 "[ . 1 . 2]" 1
843 1 53 PHE HA 1 57 GLY H . . 4.470 2.989 2.421 3.618 . 0 0 "[ . 1 . 2]" 1
844 1 53 PHE HA 1 57 GLY QA . . 4.890 3.142 2.151 3.774 . 0 0 "[ . 1 . 2]" 1
845 1 53 PHE HA 1 58 ASP H . . 6.620 4.836 4.184 5.309 . 0 0 "[ . 1 . 2]" 1
846 1 53 PHE HA 1 58 ASP HA . . 7.000 4.234 3.470 4.852 . 0 0 "[ . 1 . 2]" 1
847 1 53 PHE QB 1 54 GLN H . . 4.150 2.731 2.480 3.023 . 0 0 "[ . 1 . 2]" 1
848 1 53 PHE HB2 1 54 GLN H . . 4.910 2.801 2.529 3.116 . 0 0 "[ . 1 . 2]" 1
849 1 53 PHE HB3 1 54 GLN H . . 4.910 3.796 3.552 4.078 . 0 0 "[ . 1 . 2]" 1
850 1 53 PHE QD 1 57 GLY HA2 . . 9.130 5.603 4.837 6.061 . 0 0 "[ . 1 . 2]" 1
851 1 53 PHE QD 1 57 GLY HA3 . . 9.130 4.769 3.858 5.322 . 0 0 "[ . 1 . 2]" 1
852 1 53 PHE QD 1 58 ASP H . . 9.130 4.842 3.846 5.362 . 0 0 "[ . 1 . 2]" 1
853 1 53 PHE QD 1 58 ASP HA . . 9.130 2.827 2.117 3.524 . 0 0 "[ . 1 . 2]" 1
854 1 53 PHE QD 1 59 SER QB . . 10.010 4.555 3.759 5.025 . 0 0 "[ . 1 . 2]" 1
855 1 53 PHE QD 1 62 ALA MB . . 10.150 4.364 4.038 4.829 . 0 0 "[ . 1 . 2]" 1
856 1 53 PHE QD 1 81 LEU MD1 . . 10.150 5.411 4.647 6.286 . 0 0 "[ . 1 . 2]" 1
857 1 53 PHE QD 1 81 LEU MD2 . . 10.150 4.470 3.863 5.413 . 0 0 "[ . 1 . 2]" 1
858 1 53 PHE QD 1 81 LEU HG . . 9.130 6.982 6.465 7.800 . 0 0 "[ . 1 . 2]" 1
859 1 53 PHE QD 1 82 PHE HA . . 9.130 3.975 3.110 5.088 . 0 0 "[ . 1 . 2]" 1
860 1 53 PHE QD 1 85 PRO HA . . 9.130 3.523 2.942 3.930 . 0 0 "[ . 1 . 2]" 1
861 1 53 PHE QD 1 85 PRO QB . . 10.010 2.759 1.745 4.389 . 0 0 "[ . 1 . 2]" 1
862 1 53 PHE QD 1 85 PRO HD2 . . 9.130 6.367 5.354 7.418 . 0 0 "[ . 1 . 2]" 1
863 1 53 PHE QD 1 85 PRO HD3 . . 9.130 5.856 5.031 6.603 . 0 0 "[ . 1 . 2]" 1
864 1 53 PHE QD 1 85 PRO HG2 . . 9.130 5.241 3.949 7.161 . 0 0 "[ . 1 . 2]" 1
865 1 53 PHE QD 1 85 PRO HG3 . . 9.130 4.345 2.940 6.561 . 0 0 "[ . 1 . 2]" 1
866 1 53 PHE QE 1 58 ASP H . . 9.130 5.255 4.476 6.125 . 0 0 "[ . 1 . 2]" 1
867 1 53 PHE QE 1 58 ASP HA . . 9.130 3.668 3.048 4.556 . 0 0 "[ . 1 . 2]" 1
868 1 53 PHE QE 1 59 SER HA . . 9.130 2.378 1.876 2.935 . 0 0 "[ . 1 . 2]" 1
869 1 53 PHE QE 1 59 SER QB . . 10.010 2.959 2.422 3.454 . 0 0 "[ . 1 . 2]" 1
870 1 53 PHE QE 1 62 ALA MB . . 10.150 3.014 2.550 3.511 . 0 0 "[ . 1 . 2]" 1
871 1 53 PHE QE 1 81 LEU MD1 . . 10.150 4.127 3.480 5.095 . 0 0 "[ . 1 . 2]" 1
872 1 53 PHE QE 1 81 LEU MD2 . . 10.150 3.511 2.759 4.613 . 0 0 "[ . 1 . 2]" 1
873 1 53 PHE QE 1 81 LEU HG . . 9.130 5.265 4.705 6.269 . 0 0 "[ . 1 . 2]" 1
874 1 53 PHE QE 1 82 PHE HA . . 8.860 2.629 1.889 3.355 . 0 0 "[ . 1 . 2]" 1
875 1 53 PHE QE 1 85 PRO HA . . 9.130 3.653 2.680 4.794 . 0 0 "[ . 1 . 2]" 1
876 1 53 PHE QE 1 85 PRO QB . . 10.020 3.967 2.757 5.814 . 0 0 "[ . 1 . 2]" 1
877 1 53 PHE QE 1 85 PRO HG2 . . 9.130 6.192 4.786 8.216 . 0 0 "[ . 1 . 2]" 1
878 1 53 PHE QE 1 85 PRO HG3 . . 9.130 4.918 3.335 7.613 . 0 0 "[ . 1 . 2]" 1
879 1 53 PHE HZ 1 58 ASP HA . . 7.000 5.978 5.185 6.936 . 0 0 "[ . 1 . 2]" 1
880 1 53 PHE HZ 1 59 SER QB . . 7.880 4.226 3.640 4.964 . 0 0 "[ . 1 . 2]" 1
881 1 53 PHE HZ 1 62 ALA MB . . 7.300 2.936 2.385 3.638 . 0 0 "[ . 1 . 2]" 1
882 1 53 PHE HZ 1 78 LEU QD . . 9.100 3.089 1.955 4.526 . 0 0 "[ . 1 . 2]" 1
883 1 53 PHE HZ 1 81 LEU MD1 . . 8.020 3.955 3.136 4.906 . 0 0 "[ . 1 . 2]" 1
884 1 53 PHE HZ 1 81 LEU QD . . 6.810 3.627 3.055 4.427 . 0 0 "[ . 1 . 2]" 1
885 1 53 PHE HZ 1 81 LEU MD2 . . 8.020 4.377 3.392 5.091 . 0 0 "[ . 1 . 2]" 1
886 1 53 PHE HZ 1 81 LEU HG . . 7.000 5.717 5.180 6.431 . 0 0 "[ . 1 . 2]" 1
887 1 53 PHE HZ 1 82 PHE H . . 7.000 4.145 3.707 4.730 . 0 0 "[ . 1 . 2]" 1
888 1 53 PHE HZ 1 82 PHE HA . . 7.000 3.690 2.649 5.046 . 0 0 "[ . 1 . 2]" 1
889 1 53 PHE HZ 1 82 PHE QD . . 9.130 3.372 2.320 4.281 . 0 0 "[ . 1 . 2]" 1
890 1 53 PHE HZ 1 82 PHE QE . . 9.130 5.078 3.688 6.208 . 0 0 "[ . 1 . 2]" 1
891 1 54 GLN H 1 54 GLN QG . . 4.580 4.045 3.991 4.118 . 0 0 "[ . 1 . 2]" 1
892 1 54 GLN H 1 55 GLN H . . 4.360 2.580 2.435 2.702 . 0 0 "[ . 1 . 2]" 1
893 1 54 GLN H 1 55 GLN HA . . 7.000 5.251 5.116 5.348 . 0 0 "[ . 1 . 2]" 1
894 1 54 GLN H 1 57 GLY H . . 6.720 4.814 4.380 5.289 . 0 0 "[ . 1 . 2]" 1
895 1 54 GLN HA 1 54 GLN QG . . 3.590 2.707 2.414 3.098 . 0 0 "[ . 1 . 2]" 1
896 1 54 GLN HA 1 56 GLY H . . 5.350 3.744 3.533 3.925 . 0 0 "[ . 1 . 2]" 1
897 1 54 GLN HA 1 57 GLY H . . 5.510 5.415 4.707 5.867 0.357 15 0 "[ . 1 . 2]" 1
898 1 54 GLN QB 1 55 GLN H . . 4.230 2.830 2.514 3.235 . 0 0 "[ . 1 . 2]" 1
899 1 54 GLN HB2 1 55 GLN H . . 4.800 4.040 3.813 4.210 . 0 0 "[ . 1 . 2]" 1
900 1 54 GLN HB3 1 55 GLN H . . 4.800 2.892 2.550 3.362 . 0 0 "[ . 1 . 2]" 1
901 1 55 GLN H 1 55 GLN QB . . 3.690 2.290 2.218 2.484 . 0 0 "[ . 1 . 2]" 1
902 1 55 GLN H 1 56 GLY H . . 4.030 2.657 2.444 2.958 . 0 0 "[ . 1 . 2]" 1
903 1 55 GLN H 1 56 GLY QA . . 6.080 4.578 4.467 4.720 . 0 0 "[ . 1 . 2]" 1
904 1 55 GLN H 1 57 GLY H . . 5.400 3.593 3.138 3.937 . 0 0 "[ . 1 . 2]" 1
905 1 55 GLN HA 1 57 GLY H . . 4.860 4.778 4.457 5.069 0.209 5 0 "[ . 1 . 2]" 1
906 1 56 GLY H 1 57 GLY H . . 4.030 2.201 1.954 2.732 . 0 0 "[ . 1 . 2]" 1
907 1 56 GLY QA 1 58 ASP H . . 6.530 5.545 5.155 5.943 . 0 0 "[ . 1 . 2]" 1
908 1 57 GLY H 1 58 ASP H . . 5.620 4.576 4.462 4.642 . 0 0 "[ . 1 . 2]" 1
909 1 57 GLY H 1 61 LEU QD . . 6.090 4.358 4.041 4.863 . 0 0 "[ . 1 . 2]" 1
910 1 57 GLY QA 1 58 ASP HA . . 5.220 4.024 3.963 4.077 . 0 0 "[ . 1 . 2]" 1
911 1 57 GLY QA 1 61 LEU QD . . 4.490 2.124 1.764 2.830 . 0 0 "[ . 1 . 2]" 1
912 1 58 ASP H 1 60 LEU H . . 5.740 4.906 4.512 5.389 . 0 0 "[ . 1 . 2]" 1
913 1 58 ASP H 1 60 LEU MD1 . . 8.020 6.233 5.749 7.498 . 0 0 "[ . 1 . 2]" 1
914 1 58 ASP H 1 60 LEU MD2 . . 8.020 7.252 6.324 7.428 . 0 0 "[ . 1 . 2]" 1
915 1 58 ASP H 1 61 LEU H . . 5.020 3.526 3.282 3.807 . 0 0 "[ . 1 . 2]" 1
916 1 58 ASP H 1 61 LEU HB2 . . 4.530 2.623 2.074 3.415 . 0 0 "[ . 1 . 2]" 1
917 1 58 ASP H 1 61 LEU QB . . 3.800 2.144 1.767 2.873 . 0 0 "[ . 1 . 2]" 1
918 1 58 ASP H 1 61 LEU HB3 . . 4.530 2.370 1.782 3.714 . 0 0 "[ . 1 . 2]" 1
919 1 58 ASP H 1 61 LEU QD . . 4.680 2.758 2.259 3.471 . 0 0 "[ . 1 . 2]" 1
920 1 58 ASP H 1 61 LEU HG . . 5.960 4.582 3.316 5.611 . 0 0 "[ . 1 . 2]" 1
921 1 58 ASP H 1 62 ALA H . . 5.240 4.040 3.505 4.606 . 0 0 "[ . 1 . 2]" 1
922 1 58 ASP HA 1 59 SER HA . . 6.230 4.381 4.280 4.470 . 0 0 "[ . 1 . 2]" 1
923 1 58 ASP HA 1 59 SER QB . . 6.950 4.573 4.478 4.660 . 0 0 "[ . 1 . 2]" 1
924 1 58 ASP HA 1 60 LEU H . . 5.680 4.415 4.154 4.676 . 0 0 "[ . 1 . 2]" 1
925 1 58 ASP HA 1 61 LEU MD1 . . 8.020 5.233 4.689 6.058 . 0 0 "[ . 1 . 2]" 1
926 1 58 ASP HA 1 61 LEU MD2 . . 8.020 6.355 5.732 6.827 . 0 0 "[ . 1 . 2]" 1
927 1 58 ASP HA 1 62 ALA MB . . 8.020 4.778 4.444 5.146 . 0 0 "[ . 1 . 2]" 1
928 1 58 ASP QB 1 60 LEU H . . 4.810 3.012 2.345 3.514 . 0 0 "[ . 1 . 2]" 1
929 1 58 ASP HB2 1 60 LEU H . . 5.460 3.960 2.882 4.744 . 0 0 "[ . 1 . 2]" 1
930 1 58 ASP HB3 1 60 LEU H . . 5.460 3.216 2.441 4.566 . 0 0 "[ . 1 . 2]" 1
931 1 59 SER HA 1 62 ALA MB . . 5.820 2.188 1.942 2.484 . 0 0 "[ . 1 . 2]" 1
932 1 59 SER HA 1 78 LEU QD . . 7.500 2.679 2.041 3.770 . 0 0 "[ . 1 . 2]" 1
933 1 59 SER HA 1 82 PHE QD . . 7.920 5.311 4.044 6.710 . 0 0 "[ . 1 . 2]" 1
934 1 59 SER HA 1 82 PHE QE . . 9.130 6.123 3.704 8.198 . 0 0 "[ . 1 . 2]" 1
935 1 59 SER QB 1 62 ALA H . . 6.230 4.808 4.694 4.974 . 0 0 "[ . 1 . 2]" 1
936 1 59 SER QB 1 62 ALA MB . . 6.320 3.622 3.334 3.927 . 0 0 "[ . 1 . 2]" 1
937 1 59 SER QB 1 78 LEU QD . . 8.880 2.455 1.641 3.583 . 0 0 "[ . 1 . 2]" 1
938 1 59 SER QB 1 81 LEU QD . . 8.670 5.669 5.205 6.147 . 0 0 "[ . 1 . 2]" 1
939 1 59 SER QB 1 82 PHE QD . . 10.010 4.491 3.635 5.855 . 0 0 "[ . 1 . 2]" 1
940 1 59 SER QB 1 82 PHE QE . . 10.010 4.667 3.001 6.803 . 0 0 "[ . 1 . 2]" 1
941 1 60 LEU H 1 60 LEU HB2 . . 3.920 2.405 2.218 2.607 . 0 0 "[ . 1 . 2]" 1
942 1 60 LEU H 1 60 LEU HB3 . . 3.920 2.573 2.381 2.778 . 0 0 "[ . 1 . 2]" 1
943 1 60 LEU H 1 60 LEU HG . . 4.750 4.568 4.399 4.649 . 0 0 "[ . 1 . 2]" 1
944 1 60 LEU H 1 61 LEU H . . 4.140 2.637 2.561 2.762 . 0 0 "[ . 1 . 2]" 1
945 1 60 LEU H 1 62 ALA H . . 4.750 3.780 3.629 3.919 . 0 0 "[ . 1 . 2]" 1
946 1 60 LEU H 1 63 THR HB . . 5.080 5.584 5.263 5.741 0.661 10 14 "[* ***** + *- ** ***]" 1
947 1 60 LEU HA 1 60 LEU QD . . 3.500 2.132 2.030 2.889 . 0 0 "[ . 1 . 2]" 1
948 1 60 LEU HA 1 63 THR H . . 4.530 3.429 3.048 3.771 . 0 0 "[ . 1 . 2]" 1
949 1 60 LEU HA 1 63 THR HB . . 4.030 3.085 2.632 3.434 . 0 0 "[ . 1 . 2]" 1
950 1 60 LEU HA 1 63 THR MG . . 6.200 4.246 3.770 4.544 . 0 0 "[ . 1 . 2]" 1
951 1 60 LEU QD 1 61 LEU H . . 5.870 3.379 3.151 3.914 . 0 0 "[ . 1 . 2]" 1
952 1 60 LEU QD 1 64 ARG H . . 5.910 4.048 3.717 4.558 . 0 0 "[ . 1 . 2]" 1
953 1 60 LEU MD1 1 64 ARG H . . 7.250 4.447 3.999 6.695 . 0 0 "[ . 1 . 2]" 1
954 1 60 LEU MD2 1 64 ARG H . . 7.250 4.918 4.130 6.358 . 0 0 "[ . 1 . 2]" 1
955 1 61 LEU H 1 61 LEU QB . . 3.540 2.151 2.064 2.496 . 0 0 "[ . 1 . 2]" 1
956 1 61 LEU H 1 61 LEU QD . . 5.150 3.766 3.020 3.845 . 0 0 "[ . 1 . 2]" 1
957 1 61 LEU H 1 61 LEU HG . . 3.920 4.146 2.258 4.379 0.459 15 0 "[ . 1 . 2]" 1
958 1 61 LEU H 1 62 ALA H . . 4.300 2.581 2.538 2.649 . 0 0 "[ . 1 . 2]" 1
959 1 61 LEU H 1 63 THR H . . 5.840 4.149 3.956 4.310 . 0 0 "[ . 1 . 2]" 1
960 1 61 LEU H 1 63 THR HB . . 5.570 5.336 5.022 5.524 . 0 0 "[ . 1 . 2]" 1
961 1 61 LEU H 1 64 ARG H . . 5.790 4.937 4.781 5.187 . 0 0 "[ . 1 . 2]" 1
962 1 61 LEU HA 1 62 ALA HA . . 5.570 4.869 4.833 4.917 . 0 0 "[ . 1 . 2]" 1
963 1 61 LEU HA 1 64 ARG H . . 7.000 3.468 3.269 3.690 . 0 0 "[ . 1 . 2]" 1
964 1 61 LEU HA 1 64 ARG QB . . 5.460 2.879 2.490 3.141 . 0 0 "[ . 1 . 2]" 1
965 1 61 LEU HA 1 64 ARG QD . . 7.880 2.715 2.146 3.193 . 0 0 "[ . 1 . 2]" 1
966 1 61 LEU QB 1 62 ALA HA . . 5.890 4.066 3.962 4.162 . 0 0 "[ . 1 . 2]" 1
967 1 61 LEU QD 1 64 ARG QD . . 6.930 3.575 2.811 4.317 . 0 0 "[ . 1 . 2]" 1
968 1 61 LEU MD1 1 64 ARG H . . 8.020 6.472 6.276 6.691 . 0 0 "[ . 1 . 2]" 1
969 1 61 LEU MD1 1 64 ARG QB . . 7.960 5.246 4.855 5.712 . 0 0 "[ . 1 . 2]" 1
970 1 61 LEU MD1 1 64 ARG QD . . 8.300 4.889 4.291 5.380 . 0 0 "[ . 1 . 2]" 1
971 1 61 LEU MD2 1 64 ARG H . . 8.020 4.471 4.156 5.173 . 0 0 "[ . 1 . 2]" 1
972 1 61 LEU MD2 1 64 ARG QB . . 7.960 3.129 2.627 4.020 . 0 0 "[ . 1 . 2]" 1
973 1 61 LEU MD2 1 64 ARG QD . . 8.300 3.711 2.844 4.546 . 0 0 "[ . 1 . 2]" 1
974 1 61 LEU HG 1 62 ALA H . . 5.790 5.123 4.403 5.271 . 0 0 "[ . 1 . 2]" 1
975 1 62 ALA H 1 63 THR H . . 4.300 2.603 2.484 2.696 . 0 0 "[ . 1 . 2]" 1
976 1 62 ALA H 1 63 THR HB . . 5.570 4.836 4.596 4.950 . 0 0 "[ . 1 . 2]" 1
977 1 62 ALA H 1 64 ARG H . . 6.450 4.041 3.837 4.221 . 0 0 "[ . 1 . 2]" 1
978 1 62 ALA H 1 81 LEU QD . . 7.220 4.413 4.250 4.603 . 0 0 "[ . 1 . 2]" 1
979 1 62 ALA HA 1 64 ARG H . . 6.400 4.230 4.013 4.429 . 0 0 "[ . 1 . 2]" 1
980 1 62 ALA HA 1 65 LEU H . . 7.000 3.200 3.013 3.403 . 0 0 "[ . 1 . 2]" 1
981 1 62 ALA HA 1 65 LEU HA . . 6.720 5.033 4.796 5.344 . 0 0 "[ . 1 . 2]" 1
982 1 62 ALA HA 1 65 LEU QB . . 3.960 2.339 2.138 2.594 . 0 0 "[ . 1 . 2]" 1
983 1 62 ALA HA 1 65 LEU MD1 . . 8.020 4.109 3.379 4.483 . 0 0 "[ . 1 . 2]" 1
984 1 62 ALA HA 1 65 LEU QD . . 6.740 3.865 3.329 4.119 . 0 0 "[ . 1 . 2]" 1
985 1 62 ALA HA 1 65 LEU MD2 . . 8.020 4.789 4.467 5.163 . 0 0 "[ . 1 . 2]" 1
986 1 62 ALA HA 1 65 LEU HG . . 6.070 3.976 3.802 4.322 . 0 0 "[ . 1 . 2]" 1
987 1 62 ALA HA 1 66 THR H . . 4.750 3.999 3.669 4.689 . 0 0 "[ . 1 . 2]" 1
988 1 62 ALA HA 1 67 GLY H . . 7.000 6.374 5.875 7.145 0.145 14 0 "[ . 1 . 2]" 1
989 1 62 ALA HA 1 78 LEU QD . . 8.930 4.207 3.701 5.356 . 0 0 "[ . 1 . 2]" 1
990 1 62 ALA HA 1 81 LEU QD . . 6.260 2.577 2.152 3.066 . 0 0 "[ . 1 . 2]" 1
991 1 62 ALA MB 1 65 LEU QD . . 8.650 4.347 3.912 4.625 . 0 0 "[ . 1 . 2]" 1
992 1 62 ALA MB 1 78 LEU QD . . 7.860 2.102 1.834 3.110 . 0 0 "[ . 1 . 2]" 1
993 1 62 ALA MB 1 81 LEU QD . . 7.230 1.873 1.656 2.152 . 0 0 "[ . 1 . 2]" 1
994 1 62 ALA MB 1 82 PHE QD . . 9.600 5.205 4.447 6.131 . 0 0 "[ . 1 . 2]" 1
995 1 62 ALA MB 1 82 PHE QE . . 10.150 6.277 4.173 7.668 . 0 0 "[ . 1 . 2]" 1
996 1 63 THR H 1 63 THR HB . . 3.920 2.565 2.475 2.662 . 0 0 "[ . 1 . 2]" 1
997 1 63 THR H 1 63 THR MG . . 4.280 3.797 3.763 3.817 . 0 0 "[ . 1 . 2]" 1
998 1 63 THR H 1 65 LEU H . . 4.360 4.021 3.877 4.229 . 0 0 "[ . 1 . 2]" 1
999 1 63 THR H 1 81 LEU QD . . 7.850 4.583 4.156 4.834 . 0 0 "[ . 1 . 2]" 1
1000 1 63 THR HA 1 66 THR HA . . 7.000 5.883 5.440 6.168 . 0 0 "[ . 1 . 2]" 1
1001 1 63 THR HA 1 66 THR MG . . 4.660 3.446 2.576 4.004 . 0 0 "[ . 1 . 2]" 1
1002 1 63 THR HA 1 78 LEU QD . . 7.120 3.058 1.871 4.814 . 0 0 "[ . 1 . 2]" 1
1003 1 63 THR HA 1 81 LEU QD . . 7.850 4.570 3.828 5.006 . 0 0 "[ . 1 . 2]" 1
1004 1 63 THR HB 1 64 ARG H . . 4.300 2.776 2.572 3.024 . 0 0 "[ . 1 . 2]" 1
1005 1 63 THR HB 1 65 LEU H . . 7.000 5.101 4.930 5.222 . 0 0 "[ . 1 . 2]" 1
1006 1 63 THR HB 1 66 THR H . . 6.450 5.957 5.811 6.078 . 0 0 "[ . 1 . 2]" 1
1007 1 63 THR MG 1 64 ARG H . . 5.270 3.706 3.523 3.884 . 0 0 "[ . 1 . 2]" 1
1008 1 63 THR MG 1 64 ARG HA . . 6.310 3.877 3.703 4.071 . 0 0 "[ . 1 . 2]" 1
1009 1 63 THR MG 1 65 LEU H . . 8.020 5.273 5.063 5.444 . 0 0 "[ . 1 . 2]" 1
1010 1 63 THR MG 1 66 THR H . . 8.020 5.205 4.901 5.438 . 0 0 "[ . 1 . 2]" 1
1011 1 63 THR MG 1 66 THR HA . . 8.020 6.792 6.389 7.092 . 0 0 "[ . 1 . 2]" 1
1012 1 63 THR MG 1 67 GLY H . . 6.480 4.804 4.286 5.666 . 0 0 "[ . 1 . 2]" 1
1013 1 63 THR MG 1 78 LEU QD . . 9.620 3.532 2.275 5.459 . 0 0 "[ . 1 . 2]" 1
1014 1 64 ARG H 1 64 ARG QG . . 4.480 2.313 2.052 2.585 . 0 0 "[ . 1 . 2]" 1
1015 1 64 ARG H 1 65 LEU H . . 4.200 2.521 2.369 2.739 . 0 0 "[ . 1 . 2]" 1
1016 1 64 ARG QB 1 65 LEU H . . 6.230 2.641 2.434 2.968 . 0 0 "[ . 1 . 2]" 1
1017 1 64 ARG QD 1 65 LEU H . . 7.880 4.862 4.574 5.216 . 0 0 "[ . 1 . 2]" 1
1018 1 65 LEU H 1 65 LEU HB2 . . 3.870 2.383 2.238 2.516 . 0 0 "[ . 1 . 2]" 1
1019 1 65 LEU H 1 65 LEU QB . . 3.390 2.198 2.132 2.236 . 0 0 "[ . 1 . 2]" 1
1020 1 65 LEU H 1 65 LEU HB3 . . 3.870 2.596 2.384 2.705 . 0 0 "[ . 1 . 2]" 1
1021 1 65 LEU H 1 65 LEU QD . . 5.170 3.715 3.645 3.757 . 0 0 "[ . 1 . 2]" 1
1022 1 65 LEU H 1 66 THR H . . 4.200 2.690 2.514 2.809 . 0 0 "[ . 1 . 2]" 1
1023 1 65 LEU H 1 67 GLY H . . 6.070 4.003 3.722 4.415 . 0 0 "[ . 1 . 2]" 1
1024 1 65 LEU HA 1 65 LEU HG . . 3.480 3.785 3.748 3.815 0.335 1 0 "[ . 1 . 2]" 1
1025 1 65 LEU HA 1 81 LEU QD . . 7.320 4.966 4.540 5.450 . 0 0 "[ . 1 . 2]" 1
1026 1 65 LEU QB 1 66 THR H . . 3.740 2.496 2.237 2.846 . 0 0 "[ . 1 . 2]" 1
1027 1 65 LEU HB2 1 66 THR H . . 4.250 3.756 3.485 3.979 . 0 0 "[ . 1 . 2]" 1
1028 1 65 LEU HB2 1 67 GLY H . . 5.510 5.651 5.427 5.936 0.426 9 0 "[ . 1 . 2]" 1
1029 1 65 LEU HB3 1 66 THR H . . 4.250 2.534 2.264 2.918 . 0 0 "[ . 1 . 2]" 1
1030 1 65 LEU HB3 1 67 GLY H . . 5.510 4.923 4.673 5.348 . 0 0 "[ . 1 . 2]" 1
1031 1 65 LEU QD 1 66 THR H . . 6.010 3.328 3.097 3.652 . 0 0 "[ . 1 . 2]" 1
1032 1 65 LEU QD 1 68 GLN QB . . 5.260 2.840 2.294 3.397 . 0 0 "[ . 1 . 2]" 1
1033 1 65 LEU QD 1 69 LEU QD . . 7.110 2.274 1.929 2.720 . 0 0 "[ . 1 . 2]" 1
1034 1 65 LEU QD 1 69 LEU HG . . 5.010 2.950 2.434 3.870 . 0 0 "[ . 1 . 2]" 1
1035 1 65 LEU QD 1 81 LEU QD . . 7.000 2.120 1.701 2.807 . 0 0 "[ . 1 . 2]" 1
1036 1 65 LEU QD 1 90 PHE QD . . 8.810 3.804 3.296 4.462 . 0 0 "[ . 1 . 2]" 1
1037 1 65 LEU QD 1 90 PHE QE . . 9.840 2.596 2.053 3.473 . 0 0 "[ . 1 . 2]" 1
1038 1 65 LEU MD1 1 66 THR HB . . 8.020 5.093 4.755 5.554 . 0 0 "[ . 1 . 2]" 1
1039 1 65 LEU MD1 1 69 LEU HG . . 6.480 3.029 2.477 3.967 . 0 0 "[ . 1 . 2]" 1
1040 1 65 LEU MD1 1 81 LEU MD1 . . 9.040 2.267 1.719 3.279 . 0 0 "[ . 1 . 2]" 1
1041 1 65 LEU MD1 1 81 LEU MD2 . . 9.040 2.937 2.007 3.517 . 0 0 "[ . 1 . 2]" 1
1042 1 65 LEU MD1 1 90 PHE QD . . 10.090 3.855 3.323 4.579 . 0 0 "[ . 1 . 2]" 1
1043 1 65 LEU MD2 1 66 THR HB . . 8.020 6.867 6.502 7.067 . 0 0 "[ . 1 . 2]" 1
1044 1 65 LEU MD2 1 69 LEU HG . . 6.480 4.203 3.362 5.432 . 0 0 "[ . 1 . 2]" 1
1045 1 65 LEU MD2 1 81 LEU MD1 . . 9.040 4.421 3.820 5.351 . 0 0 "[ . 1 . 2]" 1
1046 1 65 LEU MD2 1 81 LEU MD2 . . 9.040 4.884 4.277 5.431 . 0 0 "[ . 1 . 2]" 1
1047 1 65 LEU MD2 1 90 PHE QD . . 10.090 5.874 5.371 6.445 . 0 0 "[ . 1 . 2]" 1
1048 1 66 THR H 1 66 THR MG . . 4.720 2.263 1.991 2.476 . 0 0 "[ . 1 . 2]" 1
1049 1 66 THR H 1 67 GLY H . . 4.360 2.651 2.528 2.772 . 0 0 "[ . 1 . 2]" 1
1050 1 66 THR H 1 76 ALA HA . . 7.000 7.351 7.141 7.523 0.523 15 2 "[ . 1 + - 2]" 1
1051 1 66 THR H 1 81 LEU QD . . 7.850 3.480 3.116 4.116 . 0 0 "[ . 1 . 2]" 1
1052 1 66 THR HA 1 70 HIS HD2 . . 7.000 5.580 3.974 7.046 0.046 3 0 "[ . 1 . 2]" 1
1053 1 66 THR HA 1 70 HIS HE1 . . 7.000 5.631 4.686 7.487 0.487 4 0 "[ . 1 . 2]" 1
1054 1 66 THR HA 1 76 ALA MB . . 6.640 2.357 1.927 2.616 . 0 0 "[ . 1 . 2]" 1
1055 1 66 THR HA 1 77 GLN HA . . 6.450 5.831 5.420 6.524 0.074 3 0 "[ . 1 . 2]" 1
1056 1 66 THR HA 1 78 LEU QD . . 9.100 6.306 4.905 7.455 . 0 0 "[ . 1 . 2]" 1
1057 1 66 THR HB 1 67 GLY H . . 5.290 3.691 3.524 3.900 . 0 0 "[ . 1 . 2]" 1
1058 1 66 THR HB 1 68 GLN H . . 6.010 5.690 5.503 5.912 . 0 0 "[ . 1 . 2]" 1
1059 1 66 THR HB 1 69 LEU H . . 5.080 5.239 5.080 5.471 0.391 5 0 "[ . 1 . 2]" 1
1060 1 66 THR HB 1 69 LEU HB2 . . 6.500 4.284 3.991 4.590 . 0 0 "[ . 1 . 2]" 1
1061 1 66 THR HB 1 69 LEU HB3 . . 6.500 5.738 5.428 6.164 . 0 0 "[ . 1 . 2]" 1
1062 1 66 THR HB 1 69 LEU QD . . 6.170 4.144 3.484 4.570 . 0 0 "[ . 1 . 2]" 1
1063 1 66 THR HB 1 69 LEU HG . . 7.000 5.958 5.267 6.244 . 0 0 "[ . 1 . 2]" 1
1064 1 66 THR HB 1 70 HIS H . . 5.080 5.072 4.796 5.247 0.167 15 0 "[ . 1 . 2]" 1
1065 1 66 THR HB 1 70 HIS HD2 . . 7.000 4.788 2.879 6.175 . 0 0 "[ . 1 . 2]" 1
1066 1 66 THR HB 1 70 HIS HE1 . . 7.000 3.619 2.671 5.591 . 0 0 "[ . 1 . 2]" 1
1067 1 66 THR HB 1 76 ALA MB . . 6.700 2.346 2.120 2.555 . 0 0 "[ . 1 . 2]" 1
1068 1 66 THR HB 1 78 LEU QD . . 9.100 5.473 3.554 6.706 . 0 0 "[ . 1 . 2]" 1
1069 1 66 THR HB 1 90 PHE QD . . 9.130 7.512 6.724 8.780 . 0 0 "[ . 1 . 2]" 1
1070 1 66 THR HB 1 90 PHE QE . . 9.130 5.404 4.594 6.652 . 0 0 "[ . 1 . 2]" 1
1071 1 66 THR HB 1 94 LEU QD . . 7.850 5.261 4.824 5.950 . 0 0 "[ . 1 . 2]" 1
1072 1 66 THR MG 1 67 GLY H . . 6.200 3.975 3.810 4.077 . 0 0 "[ . 1 . 2]" 1
1073 1 66 THR MG 1 67 GLY HA2 . . 8.020 5.580 5.462 5.668 . 0 0 "[ . 1 . 2]" 1
1074 1 66 THR MG 1 67 GLY HA3 . . 8.020 5.808 5.644 5.886 . 0 0 "[ . 1 . 2]" 1
1075 1 66 THR MG 1 68 GLN H . . 6.810 5.521 5.373 5.840 . 0 0 "[ . 1 . 2]" 1
1076 1 66 THR MG 1 69 LEU H . . 5.980 5.250 4.987 5.455 . 0 0 "[ . 1 . 2]" 1
1077 1 66 THR MG 1 70 HIS H . . 7.080 5.834 5.669 6.015 . 0 0 "[ . 1 . 2]" 1
1078 1 66 THR MG 1 70 HIS HD2 . . 7.630 5.862 4.435 6.982 . 0 0 "[ . 1 . 2]" 1
1079 1 66 THR MG 1 70 HIS HE1 . . 6.860 4.853 4.194 6.373 . 0 0 "[ . 1 . 2]" 1
1080 1 66 THR MG 1 76 ALA H . . 7.410 4.787 4.425 5.062 . 0 0 "[ . 1 . 2]" 1
1081 1 66 THR MG 1 76 ALA HA . . 8.020 3.954 3.765 4.161 . 0 0 "[ . 1 . 2]" 1
1082 1 66 THR MG 1 76 ALA MB . . 5.900 2.165 2.028 2.423 . 0 0 "[ . 1 . 2]" 1
1083 1 66 THR MG 1 77 GLN H . . 6.970 3.473 3.189 3.963 . 0 0 "[ . 1 . 2]" 1
1084 1 66 THR MG 1 77 GLN HA . . 6.040 3.009 2.396 3.772 . 0 0 "[ . 1 . 2]" 1
1085 1 66 THR MG 1 78 LEU H . . 6.530 3.318 2.876 3.786 . 0 0 "[ . 1 . 2]" 1
1086 1 66 THR MG 1 78 LEU HA . . 5.820 3.086 2.543 3.750 . 0 0 "[ . 1 . 2]" 1
1087 1 66 THR MG 1 81 LEU MD1 . . 9.040 2.117 1.750 3.276 . 0 0 "[ . 1 . 2]" 1
1088 1 66 THR MG 1 81 LEU MD2 . . 9.040 4.054 3.599 5.292 . 0 0 "[ . 1 . 2]" 1
1089 1 66 THR MG 1 90 PHE QE . . 10.150 3.404 2.649 4.682 . 0 0 "[ . 1 . 2]" 1
1090 1 67 GLY H 1 68 GLN H . . 4.250 2.831 2.713 3.015 . 0 0 "[ . 1 . 2]" 1
1091 1 67 GLY H 1 68 GLN QB . . 5.320 4.753 4.522 5.067 . 0 0 "[ . 1 . 2]" 1
1092 1 67 GLY H 1 68 GLN HG2 . . 7.000 6.028 4.395 6.925 . 0 0 "[ . 1 . 2]" 1
1093 1 67 GLY H 1 68 GLN HG3 . . 7.000 6.487 5.968 7.090 0.090 20 0 "[ . 1 . 2]" 1
1094 1 67 GLY H 1 69 LEU H . . 5.840 4.205 4.009 4.509 . 0 0 "[ . 1 . 2]" 1
1095 1 67 GLY H 1 76 ALA HA . . 7.000 7.888 7.797 7.984 0.984 7 20 [******+-************] 1
1096 1 67 GLY QA 1 70 HIS H . . 4.010 3.189 2.962 3.477 . 0 0 "[ . 1 . 2]" 1
1097 1 67 GLY QA 1 70 HIS HA . . 6.730 4.957 4.707 5.228 . 0 0 "[ . 1 . 2]" 1
1098 1 67 GLY QA 1 70 HIS QB . . 4.140 2.553 2.237 2.868 . 0 0 "[ . 1 . 2]" 1
1099 1 67 GLY HA2 1 69 LEU H . . 7.000 4.331 4.015 4.693 . 0 0 "[ . 1 . 2]" 1
1100 1 67 GLY HA2 1 70 HIS HB2 . . 5.840 2.614 2.272 2.964 . 0 0 "[ . 1 . 2]" 1
1101 1 67 GLY HA2 1 70 HIS HB3 . . 5.840 4.101 3.811 4.398 . 0 0 "[ . 1 . 2]" 1
1102 1 67 GLY HA3 1 69 LEU H . . 7.000 4.655 4.471 4.896 . 0 0 "[ . 1 . 2]" 1
1103 1 67 GLY HA3 1 70 HIS HB2 . . 5.840 4.069 3.777 4.394 . 0 0 "[ . 1 . 2]" 1
1104 1 67 GLY HA3 1 70 HIS HB3 . . 5.840 5.671 5.395 5.997 0.157 1 0 "[ . 1 . 2]" 1
1105 1 68 GLN H 1 68 GLN HG2 . . 4.630 3.545 2.130 4.315 . 0 0 "[ . 1 . 2]" 1
1106 1 68 GLN H 1 68 GLN QG . . 3.990 3.173 2.116 3.857 . 0 0 "[ . 1 . 2]" 1
1107 1 68 GLN H 1 68 GLN HG3 . . 4.630 3.864 3.573 4.343 . 0 0 "[ . 1 . 2]" 1
1108 1 68 GLN H 1 69 LEU H . . 4.360 2.652 2.585 2.742 . 0 0 "[ . 1 . 2]" 1
1109 1 68 GLN H 1 69 LEU QD . . 7.640 4.666 3.665 4.958 . 0 0 "[ . 1 . 2]" 1
1110 1 68 GLN QB 1 69 LEU H . . 4.050 2.718 2.333 3.036 . 0 0 "[ . 1 . 2]" 1
1111 1 68 GLN QG 1 69 LEU H . . 5.540 4.453 3.726 4.802 . 0 0 "[ . 1 . 2]" 1
1112 1 69 LEU H 1 69 LEU QB . . 3.600 2.355 2.280 2.451 . 0 0 "[ . 1 . 2]" 1
1113 1 69 LEU H 1 69 LEU MD1 . . 5.600 3.539 3.337 3.748 . 0 0 "[ . 1 . 2]" 1
1114 1 69 LEU H 1 69 LEU QD . . 4.630 3.098 2.137 3.297 . 0 0 "[ . 1 . 2]" 1
1115 1 69 LEU H 1 69 LEU MD2 . . 5.600 3.526 2.153 3.820 . 0 0 "[ . 1 . 2]" 1
1116 1 69 LEU H 1 69 LEU HG . . 4.250 2.661 2.184 4.160 . 0 0 "[ . 1 . 2]" 1
1117 1 69 LEU H 1 70 HIS H . . 4.470 2.589 2.337 2.753 . 0 0 "[ . 1 . 2]" 1
1118 1 69 LEU H 1 70 HIS HA . . 6.950 5.231 4.989 5.387 . 0 0 "[ . 1 . 2]" 1
1119 1 69 LEU H 1 70 HIS HB2 . . 7.000 4.766 4.543 4.972 . 0 0 "[ . 1 . 2]" 1
1120 1 69 LEU H 1 70 HIS HB3 . . 7.000 6.171 5.917 6.322 . 0 0 "[ . 1 . 2]" 1
1121 1 69 LEU H 1 71 GLN H . . 7.000 4.206 3.992 4.457 . 0 0 "[ . 1 . 2]" 1
1122 1 69 LEU HA 1 69 LEU QD . . 3.640 2.069 1.946 2.230 . 0 0 "[ . 1 . 2]" 1
1123 1 69 LEU HA 1 69 LEU HG . . 3.650 2.998 2.811 3.743 0.093 10 0 "[ . 1 . 2]" 1
1124 1 69 LEU HA 1 71 GLN H . . 4.140 4.315 4.018 4.555 0.415 16 0 "[ . 1 . 2]" 1
1125 1 69 LEU HA 1 72 ALA H . . 4.250 3.211 3.058 3.415 . 0 0 "[ . 1 . 2]" 1
1126 1 69 LEU HA 1 72 ALA MB . . 4.830 2.342 2.035 2.788 . 0 0 "[ . 1 . 2]" 1
1127 1 69 LEU HA 1 74 TYR QD . . 9.130 3.414 2.618 4.972 . 0 0 "[ . 1 . 2]" 1
1128 1 69 LEU HA 1 74 TYR QE . . 9.130 5.296 4.350 6.954 . 0 0 "[ . 1 . 2]" 1
1129 1 69 LEU HA 1 94 LEU QD . . 7.850 4.523 4.178 5.149 . 0 0 "[ . 1 . 2]" 1
1130 1 69 LEU QB 1 70 HIS H . . 4.000 2.766 2.605 2.908 . 0 0 "[ . 1 . 2]" 1
1131 1 69 LEU QB 1 74 TYR QB . . 5.530 2.180 1.864 2.650 . 0 0 "[ . 1 . 2]" 1
1132 1 69 LEU QB 1 74 TYR QE . . 8.690 5.605 4.966 6.425 . 0 0 "[ . 1 . 2]" 1
1133 1 69 LEU QB 1 94 LEU QD . . 5.510 2.921 2.637 3.195 . 0 0 "[ . 1 . 2]" 1
1134 1 69 LEU HB2 1 70 HIS H . . 4.580 2.853 2.675 3.019 . 0 0 "[ . 1 . 2]" 1
1135 1 69 LEU HB2 1 70 HIS HD2 . . 7.000 4.406 3.358 5.844 . 0 0 "[ . 1 . 2]" 1
1136 1 69 LEU HB2 1 74 TYR QD . . 9.130 5.171 4.460 6.210 . 0 0 "[ . 1 . 2]" 1
1137 1 69 LEU HB3 1 70 HIS H . . 4.580 3.725 3.554 3.873 . 0 0 "[ . 1 . 2]" 1
1138 1 69 LEU HB3 1 70 HIS HD2 . . 7.000 4.811 3.818 5.886 . 0 0 "[ . 1 . 2]" 1
1139 1 69 LEU HB3 1 74 TYR QD . . 9.130 3.674 2.896 4.733 . 0 0 "[ . 1 . 2]" 1
1140 1 69 LEU QD 1 70 HIS H . . 5.810 4.203 3.872 4.327 . 0 0 "[ . 1 . 2]" 1
1141 1 69 LEU QD 1 72 ALA H . . 6.850 4.624 4.327 4.814 . 0 0 "[ . 1 . 2]" 1
1142 1 69 LEU QD 1 72 ALA HA . . 7.850 5.657 5.239 6.003 . 0 0 "[ . 1 . 2]" 1
1143 1 69 LEU QD 1 72 ALA MB . . 7.590 3.010 2.709 3.370 . 0 0 "[ . 1 . 2]" 1
1144 1 69 LEU QD 1 74 TYR H . . 6.850 4.588 4.303 4.958 . 0 0 "[ . 1 . 2]" 1
1145 1 69 LEU QD 1 74 TYR HA . . 7.850 5.185 4.859 5.643 . 0 0 "[ . 1 . 2]" 1
1146 1 69 LEU QD 1 74 TYR QB . . 5.550 2.763 2.464 3.250 . 0 0 "[ . 1 . 2]" 1
1147 1 69 LEU QD 1 74 TYR QD . . 9.230 2.955 2.246 3.928 . 0 0 "[ . 1 . 2]" 1
1148 1 69 LEU QD 1 74 TYR QE . . 9.840 4.192 3.521 5.162 . 0 0 "[ . 1 . 2]" 1
1149 1 69 LEU QD 1 76 ALA HA . . 7.850 4.250 3.568 5.223 . 0 0 "[ . 1 . 2]" 1
1150 1 69 LEU QD 1 76 ALA MB . . 6.990 2.226 1.962 2.957 . 0 0 "[ . 1 . 2]" 1
1151 1 69 LEU QD 1 81 LEU QD . . 7.840 3.647 3.118 4.064 . 0 0 "[ . 1 . 2]" 1
1152 1 69 LEU QD 1 90 PHE QD . . 8.230 3.609 3.161 3.890 . 0 0 "[ . 1 . 2]" 1
1153 1 69 LEU QD 1 90 PHE QE . . 8.460 2.038 1.842 2.234 . 0 0 "[ . 1 . 2]" 1
1154 1 69 LEU QD 1 94 LEU QD . . 5.890 1.826 1.657 2.117 . 0 0 "[ . 1 . 2]" 1
1155 1 69 LEU MD1 1 72 ALA MB . . 9.040 4.842 2.756 5.356 . 0 0 "[ . 1 . 2]" 1
1156 1 69 LEU MD1 1 74 TYR HB2 . . 7.630 3.827 2.657 4.554 . 0 0 "[ . 1 . 2]" 1
1157 1 69 LEU MD1 1 74 TYR HB3 . . 7.630 4.221 3.510 5.101 . 0 0 "[ . 1 . 2]" 1
1158 1 69 LEU MD2 1 72 ALA MB . . 9.040 3.187 2.725 4.600 . 0 0 "[ . 1 . 2]" 1
1159 1 69 LEU MD2 1 74 TYR HB2 . . 7.630 3.195 2.600 5.111 . 0 0 "[ . 1 . 2]" 1
1160 1 69 LEU MD2 1 74 TYR HB3 . . 7.630 3.947 3.392 5.691 . 0 0 "[ . 1 . 2]" 1
1161 1 69 LEU HG 1 70 HIS H . . 6.010 4.663 4.293 5.326 . 0 0 "[ . 1 . 2]" 1
1162 1 69 LEU HG 1 94 LEU QD . . 7.850 3.807 2.016 4.550 . 0 0 "[ . 1 . 2]" 1
1163 1 70 HIS H 1 70 HIS QB . . 3.660 2.462 2.359 2.546 . 0 0 "[ . 1 . 2]" 1
1164 1 70 HIS H 1 71 GLN H . . 4.200 2.699 2.601 2.796 . 0 0 "[ . 1 . 2]" 1
1165 1 70 HIS H 1 72 ALA H . . 5.130 3.936 3.803 4.164 . 0 0 "[ . 1 . 2]" 1
1166 1 70 HIS HA 1 72 ALA H . . 5.790 4.180 3.954 4.341 . 0 0 "[ . 1 . 2]" 1
1167 1 70 HIS HA 1 72 ALA MB . . 8.020 4.930 4.810 5.119 . 0 0 "[ . 1 . 2]" 1
1168 1 70 HIS HA 1 73 GLY H . . 5.080 3.533 3.349 3.757 . 0 0 "[ . 1 . 2]" 1
1169 1 70 HIS HA 1 74 TYR H . . 4.360 3.073 2.652 3.444 . 0 0 "[ . 1 . 2]" 1
1170 1 70 HIS HA 1 75 GLU HA . . 7.000 3.779 3.109 4.186 . 0 0 "[ . 1 . 2]" 1
1171 1 70 HIS HA 1 76 ALA MB . . 8.020 4.757 4.372 5.216 . 0 0 "[ . 1 . 2]" 1
1172 1 70 HIS QB 1 71 GLN H . . 3.630 2.613 2.400 2.918 . 0 0 "[ . 1 . 2]" 1
1173 1 70 HIS HD2 1 71 GLN HA . . 7.000 7.054 6.926 7.353 0.353 4 0 "[ . 1 . 2]" 1
1174 1 70 HIS HD2 1 71 GLN QB . . 7.880 7.344 6.734 7.652 . 0 0 "[ . 1 . 2]" 1
1175 1 70 HIS HD2 1 71 GLN QG . . 7.000 6.446 5.987 6.779 . 0 0 "[ . 1 . 2]" 1
1176 1 70 HIS HD2 1 75 GLU HA . . 7.000 2.396 1.710 4.943 . 0 0 "[ . 1 . 2]" 1
1177 1 70 HIS HD2 1 76 ALA HA . . 7.000 5.283 4.789 6.083 . 0 0 "[ . 1 . 2]" 1
1178 1 70 HIS HD2 1 76 ALA MB . . 6.970 3.573 2.868 4.500 . 0 0 "[ . 1 . 2]" 1
1179 1 70 HIS HD2 1 94 LEU QD . . 7.850 5.452 4.902 6.147 . 0 0 "[ . 1 . 2]" 1
1180 1 70 HIS HE1 1 75 GLU HA . . 7.000 5.485 3.500 6.324 . 0 0 "[ . 1 . 2]" 1
1181 1 70 HIS HE1 1 76 ALA MB . . 8.020 4.547 3.224 5.299 . 0 0 "[ . 1 . 2]" 1
1182 1 70 HIS HE1 1 77 GLN HA . . 7.000 4.733 4.022 6.397 . 0 0 "[ . 1 . 2]" 1
1183 1 71 GLN H 1 71 GLN QG . . 4.380 2.089 1.850 2.296 . 0 0 "[ . 1 . 2]" 1
1184 1 71 GLN H 1 72 ALA H . . 4.140 2.530 2.368 2.641 . 0 0 "[ . 1 . 2]" 1
1185 1 71 GLN H 1 72 ALA HA . . 4.860 5.225 5.072 5.306 0.446 16 0 "[ . 1 . 2]" 1
1186 1 71 GLN H 1 72 ALA MB . . 5.870 4.255 4.094 4.349 . 0 0 "[ . 1 . 2]" 1
1187 1 71 GLN H 1 73 GLY H . . 5.740 3.899 3.710 4.038 . 0 0 "[ . 1 . 2]" 1
1188 1 71 GLN QB 1 72 ALA H . . 5.790 3.091 2.609 3.716 . 0 0 "[ . 1 . 2]" 1
1189 1 71 GLN QB 1 73 GLY H . . 7.660 4.610 4.371 5.012 . 0 0 "[ . 1 . 2]" 1
1190 1 71 GLN QG 1 72 ALA H . . 5.860 3.560 2.230 4.252 . 0 0 "[ . 1 . 2]" 1
1191 1 72 ALA H 1 73 GLY H . . 3.750 2.522 2.341 2.633 . 0 0 "[ . 1 . 2]" 1
1192 1 72 ALA H 1 73 GLY QA . . 5.660 4.456 4.318 4.539 . 0 0 "[ . 1 . 2]" 1
1193 1 72 ALA H 1 74 TYR H . . 4.910 3.734 3.499 3.832 . 0 0 "[ . 1 . 2]" 1
1194 1 72 ALA H 1 74 TYR QD . . 9.130 4.486 4.051 5.248 . 0 0 "[ . 1 . 2]" 1
1195 1 72 ALA HA 1 74 TYR QD . . 9.130 4.709 4.317 5.414 . 0 0 "[ . 1 . 2]" 1
1196 1 72 ALA HA 1 74 TYR QE . . 9.130 4.858 4.455 6.109 . 0 0 "[ . 1 . 2]" 1
1197 1 72 ALA MB 1 73 GLY H . . 5.380 3.221 2.936 3.399 . 0 0 "[ . 1 . 2]" 1
1198 1 72 ALA MB 1 73 GLY QA . . 6.870 4.134 4.004 4.211 . 0 0 "[ . 1 . 2]" 1
1199 1 72 ALA MB 1 74 TYR H . . 5.320 3.288 3.026 3.616 . 0 0 "[ . 1 . 2]" 1
1200 1 72 ALA MB 1 74 TYR HA . . 7.690 5.259 5.077 5.434 . 0 0 "[ . 1 . 2]" 1
1201 1 72 ALA MB 1 74 TYR QD . . 8.990 2.200 1.844 2.976 . 0 0 "[ . 1 . 2]" 1
1202 1 72 ALA MB 1 74 TYR QE . . 8.230 2.676 2.168 4.300 . 0 0 "[ . 1 . 2]" 1
1203 1 72 ALA MB 1 94 LEU MD1 . . 9.040 4.974 4.478 5.520 . 0 0 "[ . 1 . 2]" 1
1204 1 72 ALA MB 1 94 LEU MD2 . . 9.040 5.940 5.416 6.509 . 0 0 "[ . 1 . 2]" 1
1205 1 73 GLY H 1 74 TYR H . . 3.920 2.358 2.069 2.522 . 0 0 "[ . 1 . 2]" 1
1206 1 73 GLY H 1 74 TYR QB . . 5.650 4.604 4.421 4.863 . 0 0 "[ . 1 . 2]" 1
1207 1 73 GLY H 1 74 TYR QD . . 9.130 4.392 3.854 4.995 . 0 0 "[ . 1 . 2]" 1
1208 1 73 GLY QA 1 96 LYS QE . . 7.540 5.613 3.288 6.430 . 0 0 "[ . 1 . 2]" 1
1209 1 73 GLY QA 1 97 THR MG . . 5.070 3.903 3.648 4.123 . 0 0 "[ . 1 . 2]" 1
1210 1 74 TYR H 1 75 GLU H . . 5.840 4.334 4.278 4.460 . 0 0 "[ . 1 . 2]" 1
1211 1 74 TYR H 1 75 GLU HA . . 7.000 4.897 4.799 5.222 . 0 0 "[ . 1 . 2]" 1
1212 1 74 TYR HA 1 76 ALA H . . 5.570 5.942 5.461 6.331 0.761 9 5 "[ . -+1* .* *2]" 1
1213 1 74 TYR HA 1 76 ALA MB . . 8.020 5.430 5.212 5.743 . 0 0 "[ . 1 . 2]" 1
1214 1 74 TYR HA 1 94 LEU MD1 . . 8.020 4.997 3.510 5.831 . 0 0 "[ . 1 . 2]" 1
1215 1 74 TYR HA 1 94 LEU MD2 . . 8.020 4.987 4.142 5.715 . 0 0 "[ . 1 . 2]" 1
1216 1 74 TYR HA 1 95 ARG H . . 6.230 4.669 3.583 5.795 . 0 0 "[ . 1 . 2]" 1
1217 1 74 TYR HA 1 96 LYS H . . 6.120 4.677 4.496 4.993 . 0 0 "[ . 1 . 2]" 1
1218 1 74 TYR HA 1 96 LYS HA . . 4.080 2.320 1.789 3.094 . 0 0 "[ . 1 . 2]" 1
1219 1 74 TYR HA 1 96 LYS HB2 . . 7.000 5.208 4.516 6.029 . 0 0 "[ . 1 . 2]" 1
1220 1 74 TYR HA 1 96 LYS HB3 . . 7.000 4.756 3.630 6.009 . 0 0 "[ . 1 . 2]" 1
1221 1 74 TYR HA 1 96 LYS QD . . 7.880 5.415 2.677 6.733 . 0 0 "[ . 1 . 2]" 1
1222 1 74 TYR HA 1 96 LYS QE . . 7.880 5.702 4.122 6.920 . 0 0 "[ . 1 . 2]" 1
1223 1 74 TYR HA 1 96 LYS HG2 . . 7.000 4.472 3.423 6.764 . 0 0 "[ . 1 . 2]" 1
1224 1 74 TYR HA 1 96 LYS HG3 . . 7.000 5.009 3.677 6.287 . 0 0 "[ . 1 . 2]" 1
1225 1 74 TYR HA 1 97 THR H . . 4.360 2.517 2.073 3.069 . 0 0 "[ . 1 . 2]" 1
1226 1 74 TYR HA 1 97 THR MG . . 7.410 5.100 4.774 5.436 . 0 0 "[ . 1 . 2]" 1
1227 1 74 TYR QB 1 75 GLU H . . 4.020 3.251 3.084 3.457 . 0 0 "[ . 1 . 2]" 1
1228 1 74 TYR QB 1 76 ALA H . . 5.860 5.050 4.489 5.542 . 0 0 "[ . 1 . 2]" 1
1229 1 74 TYR QB 1 94 LEU QD . . 5.620 2.422 1.817 2.766 . 0 0 "[ . 1 . 2]" 1
1230 1 74 TYR HB2 1 94 LEU MD1 . . 8.020 3.283 2.725 3.747 . 0 0 "[ . 1 . 2]" 1
1231 1 74 TYR HB2 1 94 LEU MD2 . . 8.020 3.746 3.125 4.371 . 0 0 "[ . 1 . 2]" 1
1232 1 74 TYR HB3 1 94 LEU MD1 . . 8.020 2.848 1.837 3.771 . 0 0 "[ . 1 . 2]" 1
1233 1 74 TYR HB3 1 94 LEU MD2 . . 8.020 3.077 2.231 3.629 . 0 0 "[ . 1 . 2]" 1
1234 1 74 TYR QD 1 75 GLU H . . 9.130 4.189 3.897 4.469 . 0 0 "[ . 1 . 2]" 1
1235 1 74 TYR QD 1 94 LEU HA . . 9.130 5.364 4.046 6.981 . 0 0 "[ . 1 . 2]" 1
1236 1 74 TYR QD 1 94 LEU HB2 . . 9.130 4.359 3.273 5.488 . 0 0 "[ . 1 . 2]" 1
1237 1 74 TYR QD 1 94 LEU HB3 . . 9.130 3.590 2.061 6.608 . 0 0 "[ . 1 . 2]" 1
1238 1 74 TYR QD 1 94 LEU MD1 . . 10.150 3.485 2.503 4.104 . 0 0 "[ . 1 . 2]" 1
1239 1 74 TYR QD 1 94 LEU QD . . 8.680 3.354 2.492 3.864 . 0 0 "[ . 1 . 2]" 1
1240 1 74 TYR QD 1 94 LEU MD2 . . 10.150 4.488 3.885 5.105 . 0 0 "[ . 1 . 2]" 1
1241 1 74 TYR QD 1 95 ARG H . . 9.130 4.579 3.476 5.809 . 0 0 "[ . 1 . 2]" 1
1242 1 74 TYR QD 1 95 ARG HA . . 9.130 4.475 3.703 5.439 . 0 0 "[ . 1 . 2]" 1
1243 1 74 TYR QD 1 96 LYS H . . 9.130 4.106 3.592 4.545 . 0 0 "[ . 1 . 2]" 1
1244 1 74 TYR QD 1 96 LYS HA . . 9.130 2.742 2.180 3.364 . 0 0 "[ . 1 . 2]" 1
1245 1 74 TYR QD 1 96 LYS HB2 . . 9.130 4.721 3.106 5.442 . 0 0 "[ . 1 . 2]" 1
1246 1 74 TYR QD 1 96 LYS HB3 . . 9.130 4.680 3.728 5.625 . 0 0 "[ . 1 . 2]" 1
1247 1 74 TYR QD 1 96 LYS QD . . 10.010 4.561 2.837 5.651 . 0 0 "[ . 1 . 2]" 1
1248 1 74 TYR QD 1 96 LYS QE . . 10.010 4.186 2.979 5.207 . 0 0 "[ . 1 . 2]" 1
1249 1 74 TYR QD 1 96 LYS HG2 . . 9.130 3.395 2.133 5.980 . 0 0 "[ . 1 . 2]" 1
1250 1 74 TYR QD 1 96 LYS HG3 . . 9.130 3.900 3.187 6.147 . 0 0 "[ . 1 . 2]" 1
1251 1 74 TYR QD 1 97 THR H . . 9.130 4.304 3.788 4.935 . 0 0 "[ . 1 . 2]" 1
1252 1 74 TYR QE 1 76 ALA MB . . 10.150 7.050 6.650 7.402 . 0 0 "[ . 1 . 2]" 1
1253 1 74 TYR QE 1 94 LEU HA . . 9.130 7.141 5.843 8.724 . 0 0 "[ . 1 . 2]" 1
1254 1 74 TYR QE 1 94 LEU HB2 . . 9.130 5.505 4.102 7.435 . 0 0 "[ . 1 . 2]" 1
1255 1 74 TYR QE 1 94 LEU HB3 . . 9.130 5.263 3.840 8.317 . 0 0 "[ . 1 . 2]" 1
1256 1 74 TYR QE 1 94 LEU MD1 . . 10.150 4.542 3.638 5.129 . 0 0 "[ . 1 . 2]" 1
1257 1 74 TYR QE 1 94 LEU MD2 . . 10.150 5.990 5.523 6.612 . 0 0 "[ . 1 . 2]" 1
1258 1 74 TYR QE 1 95 ARG H . . 9.130 6.564 5.451 7.724 . 0 0 "[ . 1 . 2]" 1
1259 1 74 TYR QE 1 95 ARG HA . . 9.130 5.729 4.477 7.030 . 0 0 "[ . 1 . 2]" 1
1260 1 74 TYR QE 1 96 LYS H . . 9.130 5.052 3.964 5.952 . 0 0 "[ . 1 . 2]" 1
1261 1 74 TYR QE 1 96 LYS HA . . 9.130 4.072 3.384 4.629 . 0 0 "[ . 1 . 2]" 1
1262 1 74 TYR QE 1 96 LYS HB2 . . 9.130 4.887 2.572 5.779 . 0 0 "[ . 1 . 2]" 1
1263 1 74 TYR QE 1 96 LYS HB3 . . 9.130 4.875 4.257 6.048 . 0 0 "[ . 1 . 2]" 1
1264 1 74 TYR QE 1 96 LYS QD . . 10.020 3.797 2.446 4.603 . 0 0 "[ . 1 . 2]" 1
1265 1 74 TYR QE 1 96 LYS QE . . 10.020 2.707 1.943 4.012 . 0 0 "[ . 1 . 2]" 1
1266 1 74 TYR QE 1 96 LYS HG2 . . 9.130 3.020 2.001 5.546 . 0 0 "[ . 1 . 2]" 1
1267 1 74 TYR QE 1 96 LYS HG3 . . 9.130 3.661 2.913 6.279 . 0 0 "[ . 1 . 2]" 1
1268 1 75 GLU H 1 75 GLU QG . . 4.390 3.253 1.762 4.084 . 0 0 "[ . 1 . 2]" 1
1269 1 75 GLU H 1 76 ALA H . . 6.010 4.477 4.274 4.633 . 0 0 "[ . 1 . 2]" 1
1270 1 75 GLU H 1 76 ALA HA . . 7.000 5.468 5.144 5.644 . 0 0 "[ . 1 . 2]" 1
1271 1 75 GLU H 1 94 LEU QD . . 7.430 4.344 3.524 4.829 . 0 0 "[ . 1 . 2]" 1
1272 1 75 GLU H 1 95 ARG H . . 4.960 3.657 2.105 4.371 . 0 0 "[ . 1 . 2]" 1
1273 1 75 GLU H 1 97 THR H . . 5.240 3.116 2.559 3.876 . 0 0 "[ . 1 . 2]" 1
1274 1 75 GLU HA 1 76 ALA H . . 3.480 2.173 2.072 2.372 . 0 0 "[ . 1 . 2]" 1
1275 1 75 GLU HA 1 76 ALA MB . . 5.210 3.892 3.669 4.125 . 0 0 "[ . 1 . 2]" 1
1276 1 75 GLU QB 1 76 ALA HA . . 6.050 4.549 4.310 4.801 . 0 0 "[ . 1 . 2]" 1
1277 1 75 GLU QB 1 97 THR MG . . 4.600 3.327 3.092 3.883 . 0 0 "[ . 1 . 2]" 1
1278 1 75 GLU HB2 1 76 ALA H . . 5.290 3.961 2.724 4.505 . 0 0 "[ . 1 . 2]" 1
1279 1 75 GLU HB3 1 76 ALA H . . 5.290 4.042 3.725 4.359 . 0 0 "[ . 1 . 2]" 1
1280 1 75 GLU QG 1 76 ALA H . . 5.640 3.841 2.783 4.773 . 0 0 "[ . 1 . 2]" 1
1281 1 75 GLU QG 1 97 THR HA . . 5.830 3.985 2.478 5.085 . 0 0 "[ . 1 . 2]" 1
1282 1 75 GLU QG 1 97 THR MG . . 5.820 3.732 2.017 4.685 . 0 0 "[ . 1 . 2]" 1
1283 1 75 GLU HG2 1 97 THR HB . . 7.000 5.641 3.873 7.199 0.199 7 0 "[ . 1 . 2]" 1
1284 1 75 GLU HG2 1 97 THR MG . . 6.590 3.953 2.066 4.908 . 0 0 "[ . 1 . 2]" 1
1285 1 75 GLU HG3 1 97 THR HB . . 7.000 6.483 5.423 7.661 0.661 7 2 "[ . + 1 . -2]" 1
1286 1 75 GLU HG3 1 97 THR MG . . 6.590 4.678 2.816 5.933 . 0 0 "[ . 1 . 2]" 1
1287 1 76 ALA H 1 77 GLN H . . 5.570 4.182 4.011 4.445 . 0 0 "[ . 1 . 2]" 1
1288 1 76 ALA H 1 90 PHE QE . . 9.130 6.275 5.713 6.757 . 0 0 "[ . 1 . 2]" 1
1289 1 76 ALA H 1 94 LEU QD . . 6.850 4.388 3.874 4.987 . 0 0 "[ . 1 . 2]" 1
1290 1 76 ALA HA 1 77 GLN QB . . 5.690 4.384 3.939 4.545 . 0 0 "[ . 1 . 2]" 1
1291 1 76 ALA HA 1 77 GLN HG2 . . 7.000 4.134 3.653 6.030 . 0 0 "[ . 1 . 2]" 1
1292 1 76 ALA HA 1 77 GLN HG3 . . 7.000 5.691 5.391 6.423 . 0 0 "[ . 1 . 2]" 1
1293 1 76 ALA HA 1 78 LEU H . . 7.000 6.333 6.112 6.442 . 0 0 "[ . 1 . 2]" 1
1294 1 76 ALA HA 1 79 SER H . . 7.000 7.130 6.705 7.575 0.575 19 2 "[ - . 1 . +2]" 1
1295 1 76 ALA HA 1 90 PHE QD . . 9.130 5.806 5.159 6.523 . 0 0 "[ . 1 . 2]" 1
1296 1 76 ALA HA 1 90 PHE QE . . 9.130 3.928 3.395 4.659 . 0 0 "[ . 1 . 2]" 1
1297 1 76 ALA HA 1 94 LEU HA . . 4.960 4.416 3.692 5.151 0.191 1 0 "[ . 1 . 2]" 1
1298 1 76 ALA HA 1 94 LEU QD . . 5.690 2.933 2.487 3.747 . 0 0 "[ . 1 . 2]" 1
1299 1 76 ALA MB 1 77 GLN H . . 4.940 3.096 2.743 3.411 . 0 0 "[ . 1 . 2]" 1
1300 1 76 ALA MB 1 77 GLN HA . . 8.020 4.183 4.074 4.405 . 0 0 "[ . 1 . 2]" 1
1301 1 76 ALA MB 1 81 LEU MD1 . . 9.040 4.167 3.335 4.721 . 0 0 "[ . 1 . 2]" 1
1302 1 76 ALA MB 1 81 LEU MD2 . . 9.040 5.127 4.255 5.941 . 0 0 "[ . 1 . 2]" 1
1303 1 76 ALA MB 1 90 PHE QD . . 9.760 4.797 4.313 5.474 . 0 0 "[ . 1 . 2]" 1
1304 1 76 ALA MB 1 90 PHE QE . . 9.380 3.087 2.482 3.725 . 0 0 "[ . 1 . 2]" 1
1305 1 76 ALA MB 1 94 LEU QD . . 6.880 2.140 1.838 2.755 . 0 0 "[ . 1 . 2]" 1
1306 1 77 GLN H 1 77 GLN QG . . 4.430 3.064 2.375 4.280 . 0 0 "[ . 1 . 2]" 1
1307 1 77 GLN H 1 80 ASP H . . 5.680 3.694 3.188 4.204 . 0 0 "[ . 1 . 2]" 1
1308 1 77 GLN H 1 80 ASP QB . . 4.800 2.819 2.268 3.566 . 0 0 "[ . 1 . 2]" 1
1309 1 77 GLN H 1 90 PHE QD . . 9.130 5.611 4.910 6.047 . 0 0 "[ . 1 . 2]" 1
1310 1 77 GLN H 1 90 PHE QE . . 9.130 3.528 2.647 3.980 . 0 0 "[ . 1 . 2]" 1
1311 1 77 GLN H 1 94 LEU QD . . 6.280 4.205 3.568 4.900 . 0 0 "[ . 1 . 2]" 1
1312 1 77 GLN HA 1 78 LEU HA . . 6.560 4.385 4.309 4.455 . 0 0 "[ . 1 . 2]" 1
1313 1 77 GLN HA 1 78 LEU QB . . 7.500 4.323 3.994 4.689 . 0 0 "[ . 1 . 2]" 1
1314 1 77 GLN HA 1 78 LEU QD . . 9.100 4.672 3.000 5.470 . 0 0 "[ . 1 . 2]" 1
1315 1 77 GLN HA 1 79 SER H . . 7.000 4.095 3.888 4.299 . 0 0 "[ . 1 . 2]" 1
1316 1 77 GLN QB 1 77 GLN QG . . 2.230 2.013 1.993 2.030 . 0 0 "[ . 1 . 2]" 1
1317 1 77 GLN QB 1 79 SER H . . 4.490 2.493 2.325 2.695 . 0 0 "[ . 1 . 2]" 1
1318 1 77 GLN QB 1 80 ASP H . . 4.030 2.753 2.277 3.191 . 0 0 "[ . 1 . 2]" 1
1319 1 77 GLN QB 1 80 ASP QB . . 5.480 3.517 2.180 4.228 . 0 0 "[ . 1 . 2]" 1
1320 1 77 GLN HB2 1 78 LEU H . . 5.680 3.821 3.562 4.168 . 0 0 "[ . 1 . 2]" 1
1321 1 77 GLN HB2 1 79 SER H . . 5.290 3.375 2.807 4.170 . 0 0 "[ . 1 . 2]" 1
1322 1 77 GLN HB2 1 80 ASP H . . 4.580 2.925 2.299 4.334 . 0 0 "[ . 1 . 2]" 1
1323 1 77 GLN HB2 1 80 ASP HB2 . . 7.000 3.758 2.210 5.206 . 0 0 "[ . 1 . 2]" 1
1324 1 77 GLN HB2 1 80 ASP HB3 . . 7.000 5.057 3.037 6.531 . 0 0 "[ . 1 . 2]" 1
1325 1 77 GLN HB3 1 78 LEU H . . 5.680 2.702 2.479 3.324 . 0 0 "[ . 1 . 2]" 1
1326 1 77 GLN HB3 1 79 SER H . . 5.290 2.590 2.385 2.860 . 0 0 "[ . 1 . 2]" 1
1327 1 77 GLN HB3 1 80 ASP H . . 4.580 3.590 2.701 4.086 . 0 0 "[ . 1 . 2]" 1
1328 1 77 GLN HB3 1 80 ASP HB2 . . 7.000 4.978 3.661 5.566 . 0 0 "[ . 1 . 2]" 1
1329 1 77 GLN HB3 1 80 ASP HB3 . . 7.000 6.399 4.463 7.207 0.207 11 0 "[ . 1 . 2]" 1
1330 1 78 LEU H 1 79 SER H . . 5.020 2.649 2.480 2.822 . 0 0 "[ . 1 . 2]" 1
1331 1 78 LEU H 1 80 ASP H . . 6.170 4.295 4.063 4.606 . 0 0 "[ . 1 . 2]" 1
1332 1 78 LEU H 1 81 LEU H . . 6.720 4.967 4.694 5.356 . 0 0 "[ . 1 . 2]" 1
1333 1 78 LEU HA 1 80 ASP H . . 3.980 4.180 3.910 4.352 0.372 17 0 "[ . 1 . 2]" 1
1334 1 78 LEU HA 1 81 LEU H . . 4.580 3.281 2.900 3.501 . 0 0 "[ . 1 . 2]" 1
1335 1 78 LEU HA 1 81 LEU QB . . 4.210 2.575 1.980 3.566 . 0 0 "[ . 1 . 2]" 1
1336 1 78 LEU HA 1 81 LEU MD1 . . 8.020 3.060 1.981 4.180 . 0 0 "[ . 1 . 2]" 1
1337 1 78 LEU HA 1 81 LEU MD2 . . 8.020 5.090 4.431 5.714 . 0 0 "[ . 1 . 2]" 1
1338 1 78 LEU HA 1 82 PHE H . . 5.510 4.234 3.731 4.557 . 0 0 "[ . 1 . 2]" 1
1339 1 78 LEU HA 1 82 PHE QD . . 9.130 5.730 3.865 6.993 . 0 0 "[ . 1 . 2]" 1
1340 1 78 LEU HA 1 83 ASN H . . 5.960 6.408 6.018 6.627 0.667 8 9 "[* * . +*1 *** * -2]" 1
1341 1 78 LEU QB 1 79 SER H . . 5.630 2.773 2.499 3.599 . 0 0 "[ . 1 . 2]" 1
1342 1 78 LEU QB 1 82 PHE HA . . 7.880 6.699 5.669 7.714 . 0 0 "[ . 1 . 2]" 1
1343 1 78 LEU QB 1 82 PHE QD . . 10.010 5.097 2.826 6.821 . 0 0 "[ . 1 . 2]" 1
1344 1 78 LEU QB 1 82 PHE QE . . 10.010 6.064 2.238 8.414 . 0 0 "[ . 1 . 2]" 1
1345 1 78 LEU QD 1 79 SER H . . 8.820 3.753 2.268 4.202 . 0 0 "[ . 1 . 2]" 1
1346 1 78 LEU QD 1 81 LEU QD . . 9.810 3.117 2.183 4.716 . 0 0 "[ . 1 . 2]" 1
1347 1 78 LEU QD 1 82 PHE HA . . 9.100 5.093 3.938 6.815 . 0 0 "[ . 1 . 2]" 1
1348 1 78 LEU QD 1 82 PHE QD . . 9.910 3.814 2.218 5.267 . 0 0 "[ . 1 . 2]" 1
1349 1 78 LEU QD 1 82 PHE QE . . 11.060 4.557 2.473 6.742 . 0 0 "[ . 1 . 2]" 1
1350 1 78 LEU HG 1 79 SER H . . 7.000 4.563 2.712 5.236 . 0 0 "[ . 1 . 2]" 1
1351 1 78 LEU HG 1 82 PHE QD . . 9.020 5.667 2.397 7.442 . 0 0 "[ . 1 . 2]" 1
1352 1 78 LEU HG 1 82 PHE QE . . 9.130 6.652 2.061 9.006 . 0 0 "[ . 1 . 2]" 1
1353 1 79 SER H 1 80 ASP H . . 4.530 2.799 2.645 2.997 . 0 0 "[ . 1 . 2]" 1
1354 1 79 SER H 1 80 ASP HA . . 7.000 5.411 5.274 5.565 . 0 0 "[ . 1 . 2]" 1
1355 1 79 SER H 1 81 LEU H . . 5.900 4.236 3.936 4.535 . 0 0 "[ . 1 . 2]" 1
1356 1 79 SER H 1 82 PHE H . . 6.450 4.887 4.654 5.379 . 0 0 "[ . 1 . 2]" 1
1357 1 79 SER H 1 82 PHE QD . . 9.130 6.042 4.073 7.196 . 0 0 "[ . 1 . 2]" 1
1358 1 79 SER HA 1 81 LEU H . . 4.800 4.523 4.130 4.880 0.080 7 0 "[ . 1 . 2]" 1
1359 1 80 ASP H 1 80 ASP QB . . 3.640 2.402 2.276 2.519 . 0 0 "[ . 1 . 2]" 1
1360 1 80 ASP HA 1 82 PHE H . . 6.340 4.324 4.028 4.667 . 0 0 "[ . 1 . 2]" 1
1361 1 80 ASP HA 1 83 ASN H . . 5.080 3.517 2.777 4.106 . 0 0 "[ . 1 . 2]" 1
1362 1 80 ASP HA 1 83 ASN HB2 . . 5.350 3.935 2.886 4.829 . 0 0 "[ . 1 . 2]" 1
1363 1 80 ASP HA 1 83 ASN QB . . 4.480 2.672 1.725 3.458 . 0 0 "[ . 1 . 2]" 1
1364 1 80 ASP HA 1 83 ASN HB3 . . 5.350 2.722 1.736 3.551 . 0 0 "[ . 1 . 2]" 1
1365 1 80 ASP HA 1 84 HIS H . . 5.350 3.828 3.203 4.456 . 0 0 "[ . 1 . 2]" 1
1366 1 80 ASP HA 1 84 HIS HD2 . . 5.790 2.911 2.182 6.367 0.577 17 1 "[ . 1 . + 2]" 1
1367 1 80 ASP HA 1 84 HIS HE1 . . 7.000 6.311 3.736 7.747 0.747 13 1 "[ . 1 + . 2]" 1
1368 1 80 ASP HA 1 90 PHE QD . . 9.130 4.308 4.002 5.060 . 0 0 "[ . 1 . 2]" 1
1369 1 80 ASP HA 1 93 THR MG . . 7.800 4.050 2.926 5.550 . 0 0 "[ . 1 . 2]" 1
1370 1 80 ASP QB 1 81 LEU H . . 3.670 2.771 2.309 3.303 . 0 0 "[ . 1 . 2]" 1
1371 1 80 ASP QB 1 84 HIS H . . 5.250 4.704 4.130 5.160 . 0 0 "[ . 1 . 2]" 1
1372 1 80 ASP QB 1 93 THR MG . . 5.850 2.996 1.970 4.541 . 0 0 "[ . 1 . 2]" 1
1373 1 80 ASP HB2 1 81 LEU H . . 4.300 2.969 2.354 4.191 . 0 0 "[ . 1 . 2]" 1
1374 1 80 ASP HB2 1 84 HIS HD2 . . 7.000 5.039 3.857 7.886 0.886 17 2 "[ . 1- . + 2]" 1
1375 1 80 ASP HB2 1 90 PHE QD . . 9.130 3.602 3.014 5.206 . 0 0 "[ . 1 . 2]" 1
1376 1 80 ASP HB2 1 93 THR HB . . 7.000 6.045 4.396 7.428 0.428 2 0 "[ . 1 . 2]" 1
1377 1 80 ASP HB3 1 81 LEU H . . 4.300 3.642 2.656 4.074 . 0 0 "[ . 1 . 2]" 1
1378 1 80 ASP HB3 1 84 HIS HD2 . . 7.000 3.789 2.234 7.734 0.734 17 1 "[ . 1 . + 2]" 1
1379 1 80 ASP HB3 1 90 PHE QD . . 9.130 2.619 2.202 3.941 . 0 0 "[ . 1 . 2]" 1
1380 1 80 ASP HB3 1 93 THR HB . . 7.000 4.590 3.387 5.674 . 0 0 "[ . 1 . 2]" 1
1381 1 81 LEU H 1 81 LEU HG . . 3.260 3.229 2.803 3.848 0.588 19 2 "[ - . 1 . +2]" 1
1382 1 81 LEU H 1 84 HIS H . . 5.240 4.543 4.341 4.723 . 0 0 "[ . 1 . 2]" 1
1383 1 81 LEU HA 1 83 ASN H . . 7.000 4.452 4.001 4.863 . 0 0 "[ . 1 . 2]" 1
1384 1 81 LEU HA 1 84 HIS H . . 5.020 3.516 3.111 3.837 . 0 0 "[ . 1 . 2]" 1
1385 1 81 LEU HA 1 85 PRO HA . . 6.010 4.005 3.366 4.619 . 0 0 "[ . 1 . 2]" 1
1386 1 81 LEU HA 1 90 PHE QB . . 6.740 3.543 3.206 3.944 . 0 0 "[ . 1 . 2]" 1
1387 1 81 LEU HA 1 90 PHE QD . . 8.470 3.116 2.856 3.407 . 0 0 "[ . 1 . 2]" 1
1388 1 81 LEU QB 1 82 PHE H . . 4.380 2.890 2.730 3.028 . 0 0 "[ . 1 . 2]" 1
1389 1 81 LEU QB 1 82 PHE HA . . 6.330 3.981 3.821 4.179 . 0 0 "[ . 1 . 2]" 1
1390 1 81 LEU QD 1 82 PHE H . . 6.540 4.234 3.538 4.360 . 0 0 "[ . 1 . 2]" 1
1391 1 81 LEU QD 1 82 PHE HA . . 6.510 4.835 4.205 5.269 . 0 0 "[ . 1 . 2]" 1
1392 1 81 LEU QD 1 82 PHE QE . . 9.840 6.698 4.957 7.198 . 0 0 "[ . 1 . 2]" 1
1393 1 81 LEU QD 1 85 PRO HA . . 5.870 3.546 2.458 4.587 . 0 0 "[ . 1 . 2]" 1
1394 1 81 LEU QD 1 87 LEU HA . . 7.850 4.736 4.182 5.314 . 0 0 "[ . 1 . 2]" 1
1395 1 81 LEU QD 1 90 PHE HA . . 7.850 4.891 4.434 5.470 . 0 0 "[ . 1 . 2]" 1
1396 1 81 LEU QD 1 90 PHE QD . . 8.740 3.043 2.840 3.432 . 0 0 "[ . 1 . 2]" 1
1397 1 81 LEU MD1 1 82 PHE H . . 7.800 4.859 3.612 5.091 . 0 0 "[ . 1 . 2]" 1
1398 1 81 LEU MD1 1 82 PHE HA . . 7.910 5.911 5.509 6.190 . 0 0 "[ . 1 . 2]" 1
1399 1 81 LEU MD1 1 82 PHE QD . . 10.150 6.108 5.292 6.720 . 0 0 "[ . 1 . 2]" 1
1400 1 81 LEU MD1 1 85 PRO QB . . 8.900 6.689 5.697 7.234 . 0 0 "[ . 1 . 2]" 1
1401 1 81 LEU MD1 1 90 PHE QD . . 10.150 4.433 3.733 4.987 . 0 0 "[ . 1 . 2]" 1
1402 1 81 LEU MD1 1 90 PHE QE . . 10.150 3.488 2.781 3.946 . 0 0 "[ . 1 . 2]" 1
1403 1 81 LEU MD2 1 82 PHE H . . 7.800 4.716 4.316 5.064 . 0 0 "[ . 1 . 2]" 1
1404 1 81 LEU MD2 1 82 PHE HA . . 7.910 5.167 4.323 6.007 . 0 0 "[ . 1 . 2]" 1
1405 1 81 LEU MD2 1 82 PHE QD . . 10.150 6.264 5.794 6.857 . 0 0 "[ . 1 . 2]" 1
1406 1 81 LEU MD2 1 85 PRO QB . . 8.900 4.896 3.775 5.853 . 0 0 "[ . 1 . 2]" 1
1407 1 81 LEU MD2 1 90 PHE QD . . 10.150 3.122 2.892 3.712 . 0 0 "[ . 1 . 2]" 1
1408 1 81 LEU MD2 1 90 PHE QE . . 10.150 3.279 2.935 4.016 . 0 0 "[ . 1 . 2]" 1
1409 1 81 LEU HG 1 82 PHE H . . 5.400 5.001 4.727 5.270 . 0 0 "[ . 1 . 2]" 1
1410 1 81 LEU HG 1 82 PHE HA . . 7.000 6.659 6.427 6.812 . 0 0 "[ . 1 . 2]" 1
1411 1 81 LEU HG 1 82 PHE QD . . 9.130 7.513 6.365 8.156 . 0 0 "[ . 1 . 2]" 1
1412 1 81 LEU HG 1 85 PRO HA . . 7.000 6.013 5.074 6.759 . 0 0 "[ . 1 . 2]" 1
1413 1 81 LEU HG 1 90 PHE QD . . 9.130 3.592 3.121 4.015 . 0 0 "[ . 1 . 2]" 1
1414 1 82 PHE H 1 82 PHE QB . . 3.580 2.370 2.189 2.765 . 0 0 "[ . 1 . 2]" 1
1415 1 82 PHE H 1 83 ASN H . . 4.300 2.436 2.304 2.603 . 0 0 "[ . 1 . 2]" 1
1416 1 82 PHE H 1 83 ASN QB . . 4.850 4.240 4.054 4.408 . 0 0 "[ . 1 . 2]" 1
1417 1 83 ASN H 1 83 ASN QB . . 3.690 2.293 2.243 2.365 . 0 0 "[ . 1 . 2]" 1
1418 1 83 ASN H 1 84 HIS H . . 3.920 2.402 2.121 2.596 . 0 0 "[ . 1 . 2]" 1
1419 1 83 ASN H 1 84 HIS HA . . 6.010 5.138 4.905 5.305 . 0 0 "[ . 1 . 2]" 1
1420 1 83 ASN HA 1 84 HIS HD2 . . 7.000 5.163 4.482 5.827 . 0 0 "[ . 1 . 2]" 1
1421 1 83 ASN HA 1 85 PRO QD . . 5.000 3.894 3.686 4.095 . 0 0 "[ . 1 . 2]" 1
1422 1 83 ASN QB 1 84 HIS HD2 . . 6.020 2.784 2.037 4.590 . 0 0 "[ . 1 . 2]" 1
1423 1 83 ASN HB2 1 84 HIS HE1 . . 7.000 6.621 5.453 7.703 0.703 13 1 "[ . 1 + . 2]" 1
1424 1 83 ASN HB3 1 84 HIS HE1 . . 7.000 5.352 3.987 6.464 . 0 0 "[ . 1 . 2]" 1
1425 1 84 HIS H 1 85 PRO QD . . 5.100 3.318 3.049 3.588 . 0 0 "[ . 1 . 2]" 1
1426 1 84 HIS HA 1 86 ARG H . . 7.000 3.636 3.256 4.004 . 0 0 "[ . 1 . 2]" 1
1427 1 84 HIS HA 1 90 PHE HA . . 6.500 5.166 4.688 5.514 . 0 0 "[ . 1 . 2]" 1
1428 1 84 HIS QB 1 89 ASP QB . . 5.130 2.654 1.703 3.510 . 0 0 "[ . 1 . 2]" 1
1429 1 84 HIS QB 1 90 PHE HA . . 6.190 2.398 2.102 2.669 . 0 0 "[ . 1 . 2]" 1
1430 1 84 HIS QB 1 93 THR MG . . 7.070 3.249 2.319 4.561 . 0 0 "[ . 1 . 2]" 1
1431 1 84 HIS HB2 1 90 PHE HA . . 7.000 2.608 2.399 2.988 . 0 0 "[ . 1 . 2]" 1
1432 1 84 HIS HB2 1 90 PHE QD . . 9.130 2.794 2.143 3.658 . 0 0 "[ . 1 . 2]" 1
1433 1 84 HIS HB3 1 90 PHE HA . . 7.000 2.889 2.237 3.384 . 0 0 "[ . 1 . 2]" 1
1434 1 84 HIS HB3 1 90 PHE QD . . 9.130 4.138 3.229 4.704 . 0 0 "[ . 1 . 2]" 1
1435 1 84 HIS HD2 1 90 PHE HA . . 7.000 4.550 3.754 5.711 . 0 0 "[ . 1 . 2]" 1
1436 1 84 HIS HD2 1 93 THR HB . . 7.000 4.240 3.604 6.586 . 0 0 "[ . 1 . 2]" 1
1437 1 84 HIS HD2 1 93 THR MG . . 6.260 3.139 2.359 5.438 . 0 0 "[ . 1 . 2]" 1
1438 1 86 ARG H 1 86 ARG HB2 . . 4.140 2.261 2.080 2.729 . 0 0 "[ . 1 . 2]" 1
1439 1 86 ARG H 1 86 ARG QB . . 3.580 2.229 2.029 2.664 . 0 0 "[ . 1 . 2]" 1
1440 1 86 ARG H 1 86 ARG HB3 . . 4.140 3.435 2.732 3.722 . 0 0 "[ . 1 . 2]" 1
1441 1 86 ARG H 1 86 ARG HD2 . . 6.560 3.944 1.786 5.519 . 0 0 "[ . 1 . 2]" 1
1442 1 86 ARG H 1 86 ARG QD . . 5.790 2.797 1.759 4.386 . 0 0 "[ . 1 . 2]" 1
1443 1 86 ARG H 1 86 ARG HD3 . . 6.560 2.978 2.179 4.603 . 0 0 "[ . 1 . 2]" 1
1444 1 86 ARG H 1 86 ARG QG . . 4.120 3.616 2.736 4.021 . 0 0 "[ . 1 . 2]" 1
1445 1 86 ARG H 1 87 LEU H . . 5.570 4.602 4.432 4.654 . 0 0 "[ . 1 . 2]" 1
1446 1 86 ARG H 1 89 ASP H . . 5.400 5.016 4.505 5.679 0.279 7 0 "[ . 1 . 2]" 1
1447 1 86 ARG H 1 89 ASP QB . . 5.050 3.385 2.696 4.319 . 0 0 "[ . 1 . 2]" 1
1448 1 86 ARG H 1 90 PHE H . . 6.120 4.854 4.143 5.521 . 0 0 "[ . 1 . 2]" 1
1449 1 86 ARG HA 1 87 LEU HA . . 6.950 4.307 4.215 4.405 . 0 0 "[ . 1 . 2]" 1
1450 1 86 ARG HA 1 88 ALA H . . 6.340 4.522 4.191 4.782 . 0 0 "[ . 1 . 2]" 1
1451 1 86 ARG HA 1 89 ASP H . . 7.000 4.729 4.486 4.958 . 0 0 "[ . 1 . 2]" 1
1452 1 86 ARG QB 1 86 ARG QG . . 2.330 2.014 1.989 2.090 . 0 0 "[ . 1 . 2]" 1
1453 1 86 ARG QB 1 88 ALA H . . 6.730 3.330 2.667 4.680 . 0 0 "[ . 1 . 2]" 1
1454 1 86 ARG QB 1 89 ASP H . . 4.540 2.648 2.283 3.378 . 0 0 "[ . 1 . 2]" 1
1455 1 86 ARG HB2 1 89 ASP H . . 5.350 3.582 2.356 4.876 . 0 0 "[ . 1 . 2]" 1
1456 1 86 ARG HB3 1 89 ASP H . . 5.350 2.799 2.385 3.445 . 0 0 "[ . 1 . 2]" 1
1457 1 86 ARG QG 1 87 LEU H . . 5.720 3.454 2.566 4.036 . 0 0 "[ . 1 . 2]" 1
1458 1 86 ARG QG 1 88 ALA H . . 4.690 4.326 3.212 4.836 0.146 17 0 "[ . 1 . 2]" 1
1459 1 86 ARG QG 1 89 ASP H . . 5.610 4.193 2.547 4.947 . 0 0 "[ . 1 . 2]" 1
1460 1 87 LEU H 1 90 PHE HA . . 7.000 7.353 7.158 7.662 0.662 3 1 "[ + . 1 . 2]" 1
1461 1 87 LEU HA 1 89 ASP H . . 6.340 4.485 4.335 4.726 . 0 0 "[ . 1 . 2]" 1
1462 1 87 LEU HA 1 90 PHE H . . 5.680 3.806 3.533 4.177 . 0 0 "[ . 1 . 2]" 1
1463 1 87 LEU HA 1 90 PHE HA . . 6.400 5.848 5.456 6.193 . 0 0 "[ . 1 . 2]" 1
1464 1 87 LEU HA 1 90 PHE QB . . 4.950 2.947 2.571 3.359 . 0 0 "[ . 1 . 2]" 1
1465 1 87 LEU HA 1 90 PHE QD . . 9.130 3.934 3.399 4.505 . 0 0 "[ . 1 . 2]" 1
1466 1 87 LEU HA 1 91 ALA H . . 7.000 4.235 3.863 4.411 . 0 0 "[ . 1 . 2]" 1
1467 1 87 LEU QB 1 88 ALA H . . 4.060 2.385 2.147 2.608 . 0 0 "[ . 1 . 2]" 1
1468 1 87 LEU QB 1 89 ASP H . . 6.740 4.515 4.193 4.811 . 0 0 "[ . 1 . 2]" 1
1469 1 87 LEU QD 1 88 ALA H . . 5.590 3.249 3.049 3.730 . 0 0 "[ . 1 . 2]" 1
1470 1 87 LEU QD 1 88 ALA HA . . 5.950 2.951 2.702 4.129 . 0 0 "[ . 1 . 2]" 1
1471 1 87 LEU QD 1 90 PHE QD . . 9.840 4.456 3.318 5.150 . 0 0 "[ . 1 . 2]" 1
1472 1 87 LEU QD 1 91 ALA H . . 6.950 3.916 3.719 4.183 . 0 0 "[ . 1 . 2]" 1
1473 1 87 LEU MD1 1 88 ALA H . . 6.700 4.541 4.190 4.783 . 0 0 "[ . 1 . 2]" 1
1474 1 87 LEU MD1 1 88 ALA HA . . 7.300 5.316 4.879 5.538 . 0 0 "[ . 1 . 2]" 1
1475 1 87 LEU MD2 1 88 ALA H . . 6.700 3.333 3.132 3.954 . 0 0 "[ . 1 . 2]" 1
1476 1 87 LEU MD2 1 88 ALA HA . . 7.300 2.979 2.712 4.456 . 0 0 "[ . 1 . 2]" 1
1477 1 87 LEU HG 1 88 ALA H . . 7.000 4.674 3.630 4.898 . 0 0 "[ . 1 . 2]" 1
1478 1 87 LEU HG 1 90 PHE QD . . 9.130 4.710 3.837 5.462 . 0 0 "[ . 1 . 2]" 1
1479 1 87 LEU HG 1 91 ALA H . . 7.000 5.422 4.554 5.923 . 0 0 "[ . 1 . 2]" 1
1480 1 88 ALA H 1 89 ASP H . . 4.580 2.523 2.320 2.650 . 0 0 "[ . 1 . 2]" 1
1481 1 88 ALA H 1 90 PHE H . . 5.900 4.103 3.826 4.303 . 0 0 "[ . 1 . 2]" 1
1482 1 88 ALA HA 1 90 PHE H . . 5.510 4.345 4.079 4.596 . 0 0 "[ . 1 . 2]" 1
1483 1 88 ALA HA 1 91 ALA H . . 5.240 3.278 2.950 3.987 . 0 0 "[ . 1 . 2]" 1
1484 1 88 ALA HA 1 91 ALA MB . . 4.550 2.281 1.888 3.050 . 0 0 "[ . 1 . 2]" 1
1485 1 88 ALA HA 1 92 ALA H . . 5.840 4.075 3.502 4.776 . 0 0 "[ . 1 . 2]" 1
1486 1 88 ALA MB 1 89 ASP H . . 4.770 2.767 2.593 3.018 . 0 0 "[ . 1 . 2]" 1
1487 1 89 ASP H 1 90 PHE H . . 4.080 2.536 2.402 2.681 . 0 0 "[ . 1 . 2]" 1
1488 1 89 ASP H 1 90 PHE HA . . 5.900 5.221 5.107 5.345 . 0 0 "[ . 1 . 2]" 1
1489 1 89 ASP H 1 90 PHE QB . . 5.460 4.296 4.153 4.444 . 0 0 "[ . 1 . 2]" 1
1490 1 89 ASP H 1 90 PHE QD . . 9.130 6.245 6.086 6.422 . 0 0 "[ . 1 . 2]" 1
1491 1 89 ASP H 1 91 ALA H . . 4.300 3.878 3.639 4.073 . 0 0 "[ . 1 . 2]" 1
1492 1 89 ASP H 1 92 ALA H . . 4.580 4.661 4.378 4.910 0.330 20 0 "[ . 1 . 2]" 1
1493 1 89 ASP HA 1 91 ALA H . . 6.120 4.425 4.081 4.669 . 0 0 "[ . 1 . 2]" 1
1494 1 89 ASP HA 1 92 ALA H . . 5.190 3.566 3.054 4.217 . 0 0 "[ . 1 . 2]" 1
1495 1 89 ASP HA 1 92 ALA MB . . 5.710 2.791 2.286 3.571 . 0 0 "[ . 1 . 2]" 1
1496 1 89 ASP HA 1 93 THR H . . 6.120 4.692 4.209 5.324 . 0 0 "[ . 1 . 2]" 1
1497 1 89 ASP QB 1 90 PHE H . . 3.710 2.680 2.380 2.811 . 0 0 "[ . 1 . 2]" 1
1498 1 89 ASP HB2 1 90 PHE H . . 4.580 3.449 2.578 4.033 . 0 0 "[ . 1 . 2]" 1
1499 1 89 ASP HB3 1 90 PHE H . . 4.580 3.095 2.409 3.908 . 0 0 "[ . 1 . 2]" 1
1500 1 90 PHE H 1 91 ALA HA . . 7.000 5.175 5.044 5.292 . 0 0 "[ . 1 . 2]" 1
1501 1 90 PHE H 1 92 ALA H . . 7.000 3.972 3.751 4.253 . 0 0 "[ . 1 . 2]" 1
1502 1 90 PHE H 1 93 THR H . . 5.960 4.887 4.689 5.142 . 0 0 "[ . 1 . 2]" 1
1503 1 90 PHE HA 1 92 ALA H . . 5.570 4.222 3.907 4.704 . 0 0 "[ . 1 . 2]" 1
1504 1 90 PHE HA 1 93 THR H . . 4.580 3.438 3.140 3.802 . 0 0 "[ . 1 . 2]" 1
1505 1 90 PHE HA 1 93 THR MG . . 4.770 2.742 1.801 4.254 . 0 0 "[ . 1 . 2]" 1
1506 1 90 PHE HA 1 94 LEU H . . 7.000 4.878 4.333 5.107 . 0 0 "[ . 1 . 2]" 1
1507 1 90 PHE QB 1 91 ALA H . . 4.150 2.695 2.576 2.891 . 0 0 "[ . 1 . 2]" 1
1508 1 90 PHE QB 1 92 ALA H . . 5.650 4.744 4.588 4.976 . 0 0 "[ . 1 . 2]" 1
1509 1 90 PHE HB2 1 91 ALA H . . 5.020 4.000 3.914 4.141 . 0 0 "[ . 1 . 2]" 1
1510 1 90 PHE HB3 1 91 ALA H . . 5.020 2.739 2.611 2.951 . 0 0 "[ . 1 . 2]" 1
1511 1 90 PHE QD 1 91 ALA HA . . 9.130 4.184 3.553 4.460 . 0 0 "[ . 1 . 2]" 1
1512 1 90 PHE QD 1 91 ALA MB . . 10.150 4.187 3.840 4.634 . 0 0 "[ . 1 . 2]" 1
1513 1 90 PHE QD 1 93 THR HB . . 9.130 4.971 3.790 5.421 . 0 0 "[ . 1 . 2]" 1
1514 1 90 PHE QD 1 93 THR MG . . 9.710 3.480 2.368 5.147 . 0 0 "[ . 1 . 2]" 1
1515 1 90 PHE QD 1 94 LEU MD1 . . 10.090 3.930 3.152 5.517 . 0 0 "[ . 1 . 2]" 1
1516 1 90 PHE QD 1 94 LEU QD . . 8.690 3.253 2.880 3.480 . 0 0 "[ . 1 . 2]" 1
1517 1 90 PHE QD 1 94 LEU MD2 . . 10.090 3.595 2.891 3.939 . 0 0 "[ . 1 . 2]" 1
1518 1 90 PHE QE 1 94 LEU MD1 . . 10.150 3.521 2.600 5.163 . 0 0 "[ . 1 . 2]" 1
1519 1 90 PHE QE 1 94 LEU QD . . 8.710 2.700 2.424 3.036 . 0 0 "[ . 1 . 2]" 1
1520 1 90 PHE QE 1 94 LEU MD2 . . 10.150 2.858 2.541 3.058 . 0 0 "[ . 1 . 2]" 1
1521 1 91 ALA H 1 92 ALA H . . 4.080 2.597 2.461 2.740 . 0 0 "[ . 1 . 2]" 1
1522 1 91 ALA H 1 93 THR H . . 5.960 4.108 3.928 4.255 . 0 0 "[ . 1 . 2]" 1
1523 1 91 ALA H 1 94 LEU MD1 . . 7.140 4.708 4.287 6.100 . 0 0 "[ . 1 . 2]" 1
1524 1 91 ALA H 1 94 LEU QD . . 6.020 4.318 4.114 4.483 . 0 0 "[ . 1 . 2]" 1
1525 1 91 ALA H 1 94 LEU MD2 . . 7.140 5.318 4.208 5.938 . 0 0 "[ . 1 . 2]" 1
1526 1 91 ALA HA 1 92 ALA MB . . 8.020 5.040 4.999 5.073 . 0 0 "[ . 1 . 2]" 1
1527 1 91 ALA HA 1 93 THR H . . 5.620 4.228 3.851 4.575 . 0 0 "[ . 1 . 2]" 1
1528 1 91 ALA HA 1 94 LEU H . . 5.080 3.678 3.317 4.117 . 0 0 "[ . 1 . 2]" 1
1529 1 91 ALA HA 1 94 LEU QB . . 6.230 3.421 2.985 4.475 . 0 0 "[ . 1 . 2]" 1
1530 1 91 ALA HA 1 94 LEU MD1 . . 6.260 2.439 1.985 3.765 . 0 0 "[ . 1 . 2]" 1
1531 1 91 ALA HA 1 94 LEU QD . . 5.380 2.293 1.981 2.450 . 0 0 "[ . 1 . 2]" 1
1532 1 91 ALA HA 1 94 LEU MD2 . . 6.260 3.791 2.302 4.478 . 0 0 "[ . 1 . 2]" 1
1533 1 91 ALA MB 1 92 ALA H . . 4.830 2.732 2.474 2.966 . 0 0 "[ . 1 . 2]" 1
1534 1 91 ALA MB 1 92 ALA HA . . 5.820 3.988 3.895 4.086 . 0 0 "[ . 1 . 2]" 1
1535 1 91 ALA MB 1 93 THR H . . 5.380 4.565 4.268 4.751 . 0 0 "[ . 1 . 2]" 1
1536 1 92 ALA H 1 93 THR H . . 4.250 2.588 2.449 2.733 . 0 0 "[ . 1 . 2]" 1
1537 1 92 ALA H 1 94 LEU H . . 5.190 4.066 3.854 4.462 . 0 0 "[ . 1 . 2]" 1
1538 1 92 ALA HA 1 94 LEU QD . . 7.850 5.367 4.804 5.749 . 0 0 "[ . 1 . 2]" 1
1539 1 92 ALA MB 1 93 THR H . . 5.320 2.798 2.595 3.196 . 0 0 "[ . 1 . 2]" 1
1540 1 92 ALA MB 1 93 THR HA . . 6.480 3.969 3.832 4.146 . 0 0 "[ . 1 . 2]" 1
1541 1 92 ALA MB 1 93 THR HB . . 6.420 4.421 3.760 5.322 . 0 0 "[ . 1 . 2]" 1
1542 1 92 ALA MB 1 93 THR MG . . 7.880 3.883 2.665 5.083 . 0 0 "[ . 1 . 2]" 1
1543 1 92 ALA MB 1 94 LEU H . . 6.260 4.445 4.297 4.881 . 0 0 "[ . 1 . 2]" 1
1544 1 93 THR H 1 93 THR MG . . 4.440 2.515 2.119 3.874 . 0 0 "[ . 1 . 2]" 1
1545 1 93 THR H 1 94 LEU H . . 3.980 2.495 2.238 2.640 . 0 0 "[ . 1 . 2]" 1
1546 1 93 THR H 1 94 LEU MD1 . . 7.690 5.225 4.946 5.514 . 0 0 "[ . 1 . 2]" 1
1547 1 93 THR H 1 94 LEU QD . . 6.800 4.419 4.161 4.755 . 0 0 "[ . 1 . 2]" 1
1548 1 93 THR H 1 94 LEU MD2 . . 7.690 4.784 4.396 5.305 . 0 0 "[ . 1 . 2]" 1
1549 1 93 THR HB 1 94 LEU QD . . 7.850 5.134 3.744 5.820 . 0 0 "[ . 1 . 2]" 1
1550 1 94 LEU H 1 94 LEU MD1 . . 5.650 3.817 3.566 3.979 . 0 0 "[ . 1 . 2]" 1
1551 1 94 LEU H 1 94 LEU QD . . 4.930 3.185 2.963 3.316 . 0 0 "[ . 1 . 2]" 1
1552 1 94 LEU H 1 94 LEU MD2 . . 5.650 3.421 3.082 3.646 . 0 0 "[ . 1 . 2]" 1
1553 1 94 LEU H 1 94 LEU HG . . 3.980 2.551 2.231 2.787 . 0 0 "[ . 1 . 2]" 1
1554 1 94 LEU H 1 95 ARG H . . 5.350 4.538 4.448 4.638 . 0 0 "[ . 1 . 2]" 1
1555 1 94 LEU HA 1 95 ARG H . . 3.480 2.173 2.095 2.326 . 0 0 "[ . 1 . 2]" 1
1556 1 94 LEU QD 1 95 ARG H . . 5.230 3.355 3.009 3.698 . 0 0 "[ . 1 . 2]" 1
1557 1 94 LEU MD1 1 95 ARG HA . . 8.020 5.940 3.247 6.404 . 0 0 "[ . 1 . 2]" 1
1558 1 94 LEU MD1 1 96 LYS HA . . 8.020 6.107 3.802 6.994 . 0 0 "[ . 1 . 2]" 1
1559 1 94 LEU MD2 1 95 ARG HA . . 8.020 5.650 5.325 6.011 . 0 0 "[ . 1 . 2]" 1
1560 1 94 LEU MD2 1 96 LYS HA . . 8.020 6.319 5.840 6.877 . 0 0 "[ . 1 . 2]" 1
1561 1 94 LEU HG 1 95 ARG H . . 5.350 5.033 4.667 5.262 . 0 0 "[ . 1 . 2]" 1
1562 1 95 ARG H 1 95 ARG HD2 . . 7.000 4.213 1.941 6.141 . 0 0 "[ . 1 . 2]" 1
1563 1 95 ARG H 1 95 ARG HD3 . . 7.000 4.664 3.059 6.317 . 0 0 "[ . 1 . 2]" 1
1564 1 95 ARG H 1 96 LYS H . . 5.240 4.468 4.337 4.566 . 0 0 "[ . 1 . 2]" 1
1565 1 95 ARG HA 1 95 ARG QD . . 5.030 4.031 3.121 4.340 . 0 0 "[ . 1 . 2]" 1
1566 1 95 ARG QB 1 95 ARG QD . . 2.870 2.262 2.145 2.492 . 0 0 "[ . 1 . 2]" 1
1567 1 96 LYS H 1 96 LYS HB2 . . 4.080 2.471 2.313 2.619 . 0 0 "[ . 1 . 2]" 1
1568 1 96 LYS H 1 96 LYS QB . . 3.560 2.389 2.241 2.496 . 0 0 "[ . 1 . 2]" 1
1569 1 96 LYS H 1 96 LYS HB3 . . 4.080 3.422 2.496 3.688 . 0 0 "[ . 1 . 2]" 1
1570 1 96 LYS H 1 96 LYS QG . . 4.270 2.817 2.257 4.103 . 0 0 "[ . 1 . 2]" 1
1571 1 96 LYS H 1 97 THR H . . 5.680 4.461 4.290 4.619 . 0 0 "[ . 1 . 2]" 1
1572 1 96 LYS HA 1 97 THR H . . 3.540 2.177 2.086 2.423 . 0 0 "[ . 1 . 2]" 1
1573 1 96 LYS QB 1 97 THR H . . 4.340 3.253 2.413 3.928 . 0 0 "[ . 1 . 2]" 1
1574 1 96 LYS HB2 1 97 THR H . . 5.130 4.208 3.603 4.523 . 0 0 "[ . 1 . 2]" 1
1575 1 96 LYS HB2 1 98 ASP H . . 7.000 6.521 5.845 7.688 0.688 8 2 "[ . + - . 2]" 1
1576 1 96 LYS HB3 1 97 THR H . . 5.130 3.430 2.451 4.414 . 0 0 "[ . 1 . 2]" 1
1577 1 96 LYS HB3 1 98 ASP H . . 7.000 5.969 5.553 6.483 . 0 0 "[ . 1 . 2]" 1
1578 1 96 LYS QD 1 97 THR H . . 7.880 4.784 2.510 5.660 . 0 0 "[ . 1 . 2]" 1
1579 1 96 LYS QG 1 97 THR H . . 5.530 3.936 3.177 4.313 . 0 0 "[ . 1 . 2]" 1
1580 1 97 THR HB 1 98 ASP H . . 4.690 3.980 3.484 4.249 . 0 0 "[ . 1 . 2]" 1
1581 1 97 THR HB 1 99 VAL H . . 5.350 5.496 4.832 5.978 0.628 20 6 "[ -. * * * .* +]" 1
1582 1 97 THR MG 1 98 ASP H . . 5.760 2.513 2.029 2.997 . 0 0 "[ . 1 . 2]" 1
1583 1 97 THR MG 1 98 ASP HA . . 7.800 4.187 3.976 4.340 . 0 0 "[ . 1 . 2]" 1
1584 1 97 THR MG 1 99 VAL H . . 6.420 4.720 3.997 5.493 . 0 0 "[ . 1 . 2]" 1
1585 1 97 THR MG 1 99 VAL HA . . 8.020 4.229 3.280 5.471 . 0 0 "[ . 1 . 2]" 1
1586 1 97 THR MG 1 100 PRO HA . . 8.020 6.229 5.013 7.159 . 0 0 "[ . 1 . 2]" 1
1587 1 98 ASP H 1 99 VAL H . . 4.690 4.485 4.325 4.671 . 0 0 "[ . 1 . 2]" 1
1588 1 98 ASP HA 1 99 VAL MG1 . . 7.470 4.180 3.586 5.593 . 0 0 "[ . 1 . 2]" 1
1589 1 98 ASP HA 1 99 VAL QG . . 6.280 3.431 3.313 3.703 . 0 0 "[ . 1 . 2]" 1
1590 1 98 ASP HA 1 99 VAL MG2 . . 7.470 3.892 3.426 5.554 . 0 0 "[ . 1 . 2]" 1
1591 1 99 VAL H 1 99 VAL HB . . 4.080 3.349 2.535 3.687 . 0 0 "[ . 1 . 2]" 1
1592 1 99 VAL H 1 100 PRO QD . . 5.820 4.369 4.057 4.553 . 0 0 "[ . 1 . 2]" 1
1593 1 100 PRO QG 1 101 VAL H . . 4.420 3.489 2.793 4.428 0.008 8 0 "[ . 1 . 2]" 1
1594 1 101 VAL QG 1 102 GLU H . . 5.900 2.818 1.945 3.765 . 0 0 "[ . 1 . 2]" 1
1595 1 102 GLU H 1 102 GLU QB . . 3.690 2.602 2.230 3.296 . 0 0 "[ . 1 . 2]" 1
1596 1 105 PHE HA 1 105 PHE HZ . . 7.000 6.187 5.795 7.298 0.298 6 0 "[ . 1 . 2]" 1
1597 1 105 PHE QB 1 106 VAL H . . 7.610 3.265 2.006 4.081 . 0 0 "[ . 1 . 2]" 1
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