NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
454260 |
2yun   |
11156 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2yun
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 1470
_Distance_constraint_stats_list.Viol_count 334
_Distance_constraint_stats_list.Viol_total 61.213
_Distance_constraint_stats_list.Viol_max 0.093
_Distance_constraint_stats_list.Viol_rms 0.0024
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0092
_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 7 GLY 0.019 0.013 7 0 "[ . 1 . 2]"
1 8 ARG 0.029 0.013 7 0 "[ . 1 . 2]"
1 9 LEU 0.056 0.009 12 0 "[ . 1 . 2]"
1 10 CYS 0.012 0.005 20 0 "[ . 1 . 2]"
1 11 LYS 0.055 0.023 9 0 "[ . 1 . 2]"
1 12 ALA 0.039 0.017 20 0 "[ . 1 . 2]"
1 13 LEU 0.062 0.018 20 0 "[ . 1 . 2]"
1 14 TYR 0.007 0.006 20 0 "[ . 1 . 2]"
1 15 SER 0.006 0.006 20 0 "[ . 1 . 2]"
1 16 PHE 0.007 0.003 20 0 "[ . 1 . 2]"
1 17 GLN 0.033 0.014 20 0 "[ . 1 . 2]"
1 18 ALA 0.035 0.014 20 0 "[ . 1 . 2]"
1 19 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLN 0.000 0.000 19 0 "[ . 1 . 2]"
1 21 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLU 0.037 0.031 14 0 "[ . 1 . 2]"
1 24 LEU 0.033 0.006 19 0 "[ . 1 . 2]"
1 25 ASN 0.002 0.001 20 0 "[ . 1 . 2]"
1 26 LEU 0.004 0.002 20 0 "[ . 1 . 2]"
1 27 GLU 0.032 0.017 19 0 "[ . 1 . 2]"
1 28 LYS 0.031 0.005 20 0 "[ . 1 . 2]"
1 29 GLY 0.010 0.006 20 0 "[ . 1 . 2]"
1 30 ASP 0.015 0.003 20 0 "[ . 1 . 2]"
1 31 ILE 0.004 0.001 14 0 "[ . 1 . 2]"
1 32 VAL 0.002 0.001 17 0 "[ . 1 . 2]"
1 33 ILE 0.019 0.003 19 0 "[ . 1 . 2]"
1 34 ILE 0.020 0.003 15 0 "[ . 1 . 2]"
1 35 HIS 0.014 0.005 19 0 "[ . 1 . 2]"
1 36 GLU 0.008 0.005 16 0 "[ . 1 . 2]"
1 37 LYS 0.014 0.003 10 0 "[ . 1 . 2]"
1 38 LYS 0.215 0.028 17 0 "[ . 1 . 2]"
1 39 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLU 0.033 0.010 16 0 "[ . 1 . 2]"
1 41 GLY 0.026 0.005 16 0 "[ . 1 . 2]"
1 42 TRP 0.041 0.010 16 0 "[ . 1 . 2]"
1 43 TRP 0.044 0.007 16 0 "[ . 1 . 2]"
1 44 PHE 0.014 0.005 19 0 "[ . 1 . 2]"
1 45 GLY 0.003 0.001 15 0 "[ . 1 . 2]"
1 46 SER 0.087 0.020 19 0 "[ . 1 . 2]"
1 47 LEU 0.410 0.026 13 0 "[ . 1 . 2]"
1 48 ASN 0.099 0.015 16 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 LYS 2.074 0.093 19 0 "[ . 1 . 2]"
1 51 LYS 1.855 0.093 19 0 "[ . 1 . 2]"
1 52 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 HIS 0.009 0.003 16 0 "[ . 1 . 2]"
1 54 PHE 0.010 0.002 20 0 "[ . 1 . 2]"
1 55 PRO 0.001 0.001 10 0 "[ . 1 . 2]"
1 56 ALA 0.009 0.007 16 0 "[ . 1 . 2]"
1 57 ALA 0.005 0.004 20 0 "[ . 1 . 2]"
1 58 TYR 0.014 0.006 20 0 "[ . 1 . 2]"
1 59 VAL 0.027 0.012 20 0 "[ . 1 . 2]"
1 60 GLU 0.009 0.005 20 0 "[ . 1 . 2]"
1 61 GLU 0.007 0.005 18 0 "[ . 1 . 2]"
1 62 LEU 0.015 0.005 18 0 "[ . 1 . 2]"
1 63 PRO 0.001 0.001 18 0 "[ . 1 . 2]"
1 65 ASN 0.000 0.000 18 0 "[ . 1 . 2]"
1 66 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 THR 0.071 0.031 18 0 "[ . 1 . 2]"
1 72 LYS 0.071 0.031 18 0 "[ . 1 . 2]"
1 73 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 SER 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 7 GLY H 1 8 ARG H . . 4.620 4.402 4.168 4.633 0.013 7 0 "[ . 1 . 2]" 1
2 1 7 GLY H 1 33 ILE MG . . 5.230 4.537 3.306 5.197 . 0 0 "[ . 1 . 2]" 1
3 1 7 GLY HA2 1 8 ARG H . . 3.260 2.330 2.183 2.597 . 0 0 "[ . 1 . 2]" 1
4 1 7 GLY HA2 1 8 ARG HG2 . . 5.500 3.851 3.607 4.280 . 0 0 "[ . 1 . 2]" 1
5 1 7 GLY HA2 1 33 ILE MG . . 4.580 4.521 4.374 4.583 0.003 19 0 "[ . 1 . 2]" 1
6 1 7 GLY HA2 1 34 ILE HB . . 5.500 4.761 4.423 5.415 . 0 0 "[ . 1 . 2]" 1
7 1 7 GLY HA3 1 8 ARG H . . 3.070 2.846 2.529 3.070 0.000 1 0 "[ . 1 . 2]" 1
8 1 7 GLY HA3 1 8 ARG HA . . 4.790 4.649 4.493 4.743 . 0 0 "[ . 1 . 2]" 1
9 1 7 GLY HA3 1 8 ARG HG2 . . 5.230 4.982 4.782 5.230 . 9 0 "[ . 1 . 2]" 1
10 1 7 GLY HA3 1 9 LEU MD2 . . 4.750 4.244 3.979 4.509 . 0 0 "[ . 1 . 2]" 1
11 1 7 GLY HA3 1 33 ILE MG . . 3.640 3.175 3.052 3.489 . 0 0 "[ . 1 . 2]" 1
12 1 8 ARG H 1 8 ARG HB2 . . 2.950 2.421 2.220 2.553 . 0 0 "[ . 1 . 2]" 1
13 1 8 ARG H 1 8 ARG QD . . 4.780 3.986 3.462 4.498 . 0 0 "[ . 1 . 2]" 1
14 1 8 ARG H 1 8 ARG HG2 . . 4.010 2.477 2.125 3.328 . 0 0 "[ . 1 . 2]" 1
15 1 8 ARG H 1 8 ARG HG3 . . 4.130 3.611 3.256 4.064 . 0 0 "[ . 1 . 2]" 1
16 1 8 ARG H 1 9 LEU H . . 4.810 4.608 4.536 4.637 . 0 0 "[ . 1 . 2]" 1
17 1 8 ARG H 1 9 LEU MD2 . . 4.980 4.138 3.925 4.305 . 0 0 "[ . 1 . 2]" 1
18 1 8 ARG H 1 33 ILE MG . . 4.630 4.496 3.770 4.633 0.003 13 0 "[ . 1 . 2]" 1
19 1 8 ARG H 1 34 ILE H . . 4.480 4.315 3.864 4.479 . 0 0 "[ . 1 . 2]" 1
20 1 8 ARG H 1 34 ILE HB . . 4.580 2.693 2.442 2.933 . 0 0 "[ . 1 . 2]" 1
21 1 8 ARG H 1 34 ILE MG . . 4.530 3.294 2.910 3.592 . 0 0 "[ . 1 . 2]" 1
22 1 8 ARG HA 1 8 ARG HD2 . . 3.800 3.441 2.154 3.800 0.000 7 0 "[ . 1 . 2]" 1
23 1 8 ARG HA 1 8 ARG HD3 . . 3.800 2.419 2.002 3.725 . 0 0 "[ . 1 . 2]" 1
24 1 8 ARG HA 1 8 ARG HG2 . . 3.650 2.816 2.511 3.134 . 0 0 "[ . 1 . 2]" 1
25 1 8 ARG HA 1 8 ARG HG3 . . 3.940 3.757 3.655 3.816 . 0 0 "[ . 1 . 2]" 1
26 1 8 ARG HA 1 9 LEU H . . 2.800 2.378 2.316 2.455 . 0 0 "[ . 1 . 2]" 1
27 1 8 ARG HA 1 9 LEU HA . . 4.720 4.411 4.394 4.427 . 0 0 "[ . 1 . 2]" 1
28 1 8 ARG HA 1 9 LEU MD2 . . 4.250 2.719 2.620 2.997 . 0 0 "[ . 1 . 2]" 1
29 1 8 ARG HA 1 34 ILE HB . . 4.630 3.953 3.812 4.055 . 0 0 "[ . 1 . 2]" 1
30 1 8 ARG HB2 1 9 LEU H . . 4.440 3.714 3.462 3.972 . 0 0 "[ . 1 . 2]" 1
31 1 8 ARG HB2 1 34 ILE MD . . 3.840 2.148 1.958 2.786 . 0 0 "[ . 1 . 2]" 1
32 1 8 ARG HB2 1 34 ILE MG . . 4.480 2.306 2.116 2.494 . 0 0 "[ . 1 . 2]" 1
33 1 8 ARG HB3 1 8 ARG QD . . 3.520 2.291 2.155 2.830 . 0 0 "[ . 1 . 2]" 1
34 1 8 ARG HB3 1 9 LEU H . . 3.680 2.501 2.320 2.660 . 0 0 "[ . 1 . 2]" 1
35 1 8 ARG HB3 1 34 ILE HB . . 3.830 3.252 2.668 3.524 . 0 0 "[ . 1 . 2]" 1
36 1 8 ARG HB3 1 34 ILE MD . . 3.800 2.122 1.965 2.355 . 0 0 "[ . 1 . 2]" 1
37 1 8 ARG QD 1 9 LEU H . . 4.410 3.285 2.777 3.621 . 0 0 "[ . 1 . 2]" 1
38 1 8 ARG QD 1 34 ILE MD . . 4.220 3.815 3.559 4.198 . 0 0 "[ . 1 . 2]" 1
39 1 8 ARG QD 1 34 ILE MG . . 4.820 4.735 4.622 4.822 0.002 19 0 "[ . 1 . 2]" 1
40 1 8 ARG HD2 1 9 LEU H . . 5.020 4.139 3.372 4.837 . 0 0 "[ . 1 . 2]" 1
41 1 8 ARG HD2 1 34 ILE MD . . 5.010 4.260 3.733 4.866 . 0 0 "[ . 1 . 2]" 1
42 1 8 ARG HD2 1 34 ILE MG . . 5.500 5.251 5.002 5.499 . 0 0 "[ . 1 . 2]" 1
43 1 8 ARG HD3 1 9 LEU H . . 5.020 3.582 2.850 5.022 0.002 19 0 "[ . 1 . 2]" 1
44 1 8 ARG HD3 1 34 ILE MD . . 5.010 4.447 3.671 5.012 0.002 19 0 "[ . 1 . 2]" 1
45 1 8 ARG HD3 1 34 ILE MG . . 5.500 5.413 4.977 5.503 0.003 15 0 "[ . 1 . 2]" 1
46 1 8 ARG HG2 1 9 LEU H . . 4.890 4.683 4.365 4.876 . 0 0 "[ . 1 . 2]" 1
47 1 8 ARG HG2 1 34 ILE MD . . 4.690 4.249 4.022 4.575 . 0 0 "[ . 1 . 2]" 1
48 1 8 ARG HG3 1 9 LEU H . . 5.150 4.867 4.736 5.119 . 0 0 "[ . 1 . 2]" 1
49 1 8 ARG HG3 1 34 ILE MD . . 4.430 3.585 3.430 3.851 . 0 0 "[ . 1 . 2]" 1
50 1 9 LEU H 1 9 LEU HB2 . . 3.090 2.472 2.409 2.519 . 0 0 "[ . 1 . 2]" 1
51 1 9 LEU H 1 9 LEU HB3 . . 3.730 3.670 3.604 3.707 . 0 0 "[ . 1 . 2]" 1
52 1 9 LEU H 1 9 LEU MD1 . . 4.130 4.093 3.926 4.131 0.001 7 0 "[ . 1 . 2]" 1
53 1 9 LEU H 1 9 LEU MD2 . . 3.690 2.442 2.287 2.748 . 0 0 "[ . 1 . 2]" 1
54 1 9 LEU H 1 9 LEU HG . . 5.220 4.301 4.178 4.448 . 0 0 "[ . 1 . 2]" 1
55 1 9 LEU H 1 10 CYS H . . 4.680 4.491 4.479 4.506 . 0 0 "[ . 1 . 2]" 1
56 1 9 LEU H 1 34 ILE MD . . 4.620 3.020 2.600 3.739 . 0 0 "[ . 1 . 2]" 1
57 1 9 LEU HA 1 9 LEU MD1 . . 2.870 2.086 1.971 2.271 . 0 0 "[ . 1 . 2]" 1
58 1 9 LEU HA 1 9 LEU MD2 . . 3.710 2.615 2.448 2.840 . 0 0 "[ . 1 . 2]" 1
59 1 9 LEU HA 1 9 LEU HG . . 3.750 3.744 3.689 3.759 0.009 12 0 "[ . 1 . 2]" 1
60 1 9 LEU HA 1 10 CYS H . . 2.940 2.429 2.377 2.467 . 0 0 "[ . 1 . 2]" 1
61 1 9 LEU HA 1 31 ILE MG . . 3.990 3.810 3.633 3.948 . 0 0 "[ . 1 . 2]" 1
62 1 9 LEU HA 1 32 VAL H . . 5.070 4.807 4.644 5.048 . 0 0 "[ . 1 . 2]" 1
63 1 9 LEU HA 1 33 ILE HA . . 3.540 3.081 2.860 3.245 . 0 0 "[ . 1 . 2]" 1
64 1 9 LEU HA 1 33 ILE MG . . 4.620 4.448 4.203 4.590 . 0 0 "[ . 1 . 2]" 1
65 1 9 LEU HA 1 34 ILE H . . 3.870 2.721 2.626 2.862 . 0 0 "[ . 1 . 2]" 1
66 1 9 LEU HA 1 34 ILE MD . . 4.260 3.226 2.722 3.920 . 0 0 "[ . 1 . 2]" 1
67 1 9 LEU HA 1 34 ILE HG12 . . 5.250 4.775 4.641 5.102 . 0 0 "[ . 1 . 2]" 1
68 1 9 LEU HA 1 34 ILE HG13 . . 4.740 3.063 2.894 3.342 . 0 0 "[ . 1 . 2]" 1
69 1 9 LEU HB2 1 9 LEU MD2 . . 2.820 2.346 2.261 2.431 . 0 0 "[ . 1 . 2]" 1
70 1 9 LEU HB2 1 10 CYS H . . 3.770 3.702 3.624 3.770 . 0 0 "[ . 1 . 2]" 1
71 1 9 LEU HB3 1 9 LEU MD1 . . 3.100 2.287 2.191 2.355 . 0 0 "[ . 1 . 2]" 1
72 1 9 LEU HB3 1 9 LEU MD2 . . 3.270 3.189 3.185 3.195 . 0 0 "[ . 1 . 2]" 1
73 1 9 LEU HB3 1 10 CYS H . . 3.470 2.358 2.268 2.474 . 0 0 "[ . 1 . 2]" 1
74 1 9 LEU HB3 1 31 ILE MG . . 2.840 2.789 2.604 2.841 0.001 3 0 "[ . 1 . 2]" 1
75 1 9 LEU HB3 1 32 VAL H . . 5.440 4.972 4.772 5.168 . 0 0 "[ . 1 . 2]" 1
76 1 9 LEU HB3 1 33 ILE HA . . 5.040 4.936 4.808 5.041 0.001 18 0 "[ . 1 . 2]" 1
77 1 9 LEU HB3 1 62 LEU H . . 4.860 4.372 4.090 4.709 . 0 0 "[ . 1 . 2]" 1
78 1 9 LEU MD1 1 10 CYS H . . 3.700 2.955 2.506 3.076 . 0 0 "[ . 1 . 2]" 1
79 1 9 LEU MD1 1 33 ILE H . . 4.240 4.084 3.870 4.238 . 0 0 "[ . 1 . 2]" 1
80 1 9 LEU MD1 1 33 ILE HA . . 2.970 2.218 2.002 2.437 . 0 0 "[ . 1 . 2]" 1
81 1 9 LEU MD1 1 34 ILE H . . 4.080 3.318 3.124 3.706 . 0 0 "[ . 1 . 2]" 1
82 1 10 CYS H 1 31 ILE HA . . 4.620 3.923 3.762 4.031 . 0 0 "[ . 1 . 2]" 1
83 1 10 CYS H 1 31 ILE MG . . 3.530 2.728 2.467 2.980 . 0 0 "[ . 1 . 2]" 1
84 1 10 CYS H 1 32 VAL H . . 3.620 3.121 2.958 3.273 . 0 0 "[ . 1 . 2]" 1
85 1 10 CYS H 1 32 VAL HB . . 4.610 4.463 4.232 4.609 . 0 0 "[ . 1 . 2]" 1
86 1 10 CYS H 1 32 VAL MG2 . . 5.180 5.012 4.760 5.179 . 0 0 "[ . 1 . 2]" 1
87 1 10 CYS H 1 33 ILE HA . . 4.630 4.535 4.351 4.632 0.002 19 0 "[ . 1 . 2]" 1
88 1 10 CYS H 1 34 ILE MD . . 4.500 3.849 3.280 4.302 . 0 0 "[ . 1 . 2]" 1
89 1 10 CYS H 1 62 LEU H . . 4.770 4.337 4.112 4.522 . 0 0 "[ . 1 . 2]" 1
90 1 10 CYS H 1 62 LEU MD1 . . 4.150 3.773 3.335 4.144 . 0 0 "[ . 1 . 2]" 1
91 1 10 CYS HA 1 11 LYS H . . 3.000 2.354 2.272 2.516 . 0 0 "[ . 1 . 2]" 1
92 1 10 CYS HA 1 11 LYS HB3 . . 4.960 4.426 4.292 4.607 . 0 0 "[ . 1 . 2]" 1
93 1 10 CYS HA 1 32 VAL H . . 5.500 5.006 4.889 5.092 . 0 0 "[ . 1 . 2]" 1
94 1 10 CYS HA 1 34 ILE MD . . 4.460 3.801 3.493 4.013 . 0 0 "[ . 1 . 2]" 1
95 1 10 CYS HA 1 43 TRP HZ3 . . 5.310 4.712 4.453 4.921 . 0 0 "[ . 1 . 2]" 1
96 1 10 CYS HA 1 59 VAL HB . . 5.450 4.708 4.555 4.982 . 0 0 "[ . 1 . 2]" 1
97 1 10 CYS HA 1 61 GLU HA . . 3.270 2.620 2.405 2.729 . 0 0 "[ . 1 . 2]" 1
98 1 10 CYS HA 1 61 GLU HB2 . . 5.320 5.220 4.997 5.321 0.001 9 0 "[ . 1 . 2]" 1
99 1 10 CYS HA 1 61 GLU HB3 . . 5.460 5.349 5.175 5.458 . 0 0 "[ . 1 . 2]" 1
100 1 10 CYS HA 1 61 GLU HG2 . . 4.740 4.571 4.360 4.698 . 0 0 "[ . 1 . 2]" 1
101 1 10 CYS HA 1 61 GLU HG3 . . 5.180 4.928 4.749 5.087 . 0 0 "[ . 1 . 2]" 1
102 1 10 CYS HA 1 62 LEU H . . 3.130 2.529 2.189 2.697 . 0 0 "[ . 1 . 2]" 1
103 1 10 CYS HA 1 62 LEU QB . . 4.140 3.086 2.774 3.272 . 0 0 "[ . 1 . 2]" 1
104 1 10 CYS HA 1 62 LEU MD1 . . 3.710 2.902 2.714 3.038 . 0 0 "[ . 1 . 2]" 1
105 1 10 CYS HA 1 62 LEU MD2 . . 4.150 3.992 3.704 4.147 . 0 0 "[ . 1 . 2]" 1
106 1 10 CYS HA 1 62 LEU HG . . 3.420 2.328 2.017 2.506 . 0 0 "[ . 1 . 2]" 1
107 1 10 CYS HB2 1 11 LYS H . . 3.430 2.560 2.203 2.787 . 0 0 "[ . 1 . 2]" 1
108 1 10 CYS HB2 1 34 ILE MD . . 3.780 3.548 3.359 3.694 . 0 0 "[ . 1 . 2]" 1
109 1 10 CYS HB2 1 43 TRP HZ3 . . 4.320 3.230 2.892 3.538 . 0 0 "[ . 1 . 2]" 1
110 1 10 CYS HB2 1 59 VAL HA . . 4.590 4.239 3.915 4.397 . 0 0 "[ . 1 . 2]" 1
111 1 10 CYS HB2 1 59 VAL HB . . 3.160 2.407 2.114 2.552 . 0 0 "[ . 1 . 2]" 1
112 1 10 CYS HB2 1 59 VAL MG1 . . 4.160 3.980 3.708 4.100 . 0 0 "[ . 1 . 2]" 1
113 1 10 CYS HB2 1 59 VAL MG2 . . 3.340 2.707 2.473 2.919 . 0 0 "[ . 1 . 2]" 1
114 1 10 CYS HB2 1 60 GLU H . . 3.990 2.881 2.540 3.400 . 0 0 "[ . 1 . 2]" 1
115 1 10 CYS HB2 1 61 GLU H . . 4.530 4.027 3.786 4.441 . 0 0 "[ . 1 . 2]" 1
116 1 10 CYS HB2 1 61 GLU HA . . 3.570 3.141 2.939 3.427 . 0 0 "[ . 1 . 2]" 1
117 1 10 CYS HB2 1 62 LEU H . . 4.740 4.481 4.261 4.706 . 0 0 "[ . 1 . 2]" 1
118 1 10 CYS HB2 1 62 LEU MD1 . . 5.080 4.599 4.390 4.773 . 0 0 "[ . 1 . 2]" 1
119 1 10 CYS HB3 1 11 LYS H . . 3.840 3.737 3.391 3.838 . 0 0 "[ . 1 . 2]" 1
120 1 10 CYS HB3 1 34 ILE MD . . 3.420 2.069 1.971 2.400 . 0 0 "[ . 1 . 2]" 1
121 1 10 CYS HB3 1 34 ILE HG12 . . 4.170 3.919 3.731 4.125 . 0 0 "[ . 1 . 2]" 1
122 1 10 CYS HB3 1 34 ILE MG . . 5.500 5.124 4.990 5.250 . 0 0 "[ . 1 . 2]" 1
123 1 10 CYS HB3 1 43 TRP HE3 . . 5.140 4.134 3.898 4.319 . 0 0 "[ . 1 . 2]" 1
124 1 10 CYS HB3 1 43 TRP HZ3 . . 4.320 2.405 2.130 2.661 . 0 0 "[ . 1 . 2]" 1
125 1 10 CYS HB3 1 59 VAL HB . . 4.220 3.964 3.736 4.168 . 0 0 "[ . 1 . 2]" 1
126 1 10 CYS HB3 1 59 VAL MG2 . . 3.610 3.395 3.208 3.595 . 0 0 "[ . 1 . 2]" 1
127 1 10 CYS HB3 1 60 GLU H . . 4.730 4.439 4.159 4.735 0.005 20 0 "[ . 1 . 2]" 1
128 1 10 CYS HB3 1 61 GLU H . . 5.100 3.902 3.624 4.207 . 0 0 "[ . 1 . 2]" 1
129 1 10 CYS HB3 1 61 GLU HA . . 3.540 2.068 1.998 2.245 . 0 0 "[ . 1 . 2]" 1
130 1 10 CYS HB3 1 61 GLU HB2 . . 4.810 4.063 3.791 4.312 . 0 0 "[ . 1 . 2]" 1
131 1 10 CYS HB3 1 61 GLU HB3 . . 5.200 4.929 4.764 5.142 . 0 0 "[ . 1 . 2]" 1
132 1 10 CYS HB3 1 61 GLU HG2 . . 4.370 4.135 3.991 4.357 . 0 0 "[ . 1 . 2]" 1
133 1 10 CYS HB3 1 61 GLU HG3 . . 4.520 3.588 3.398 3.726 . 0 0 "[ . 1 . 2]" 1
134 1 10 CYS HB3 1 62 LEU H . . 3.940 3.470 3.268 3.638 . 0 0 "[ . 1 . 2]" 1
135 1 10 CYS HB3 1 62 LEU MD1 . . 5.070 4.952 4.724 5.071 0.001 9 0 "[ . 1 . 2]" 1
136 1 11 LYS H 1 11 LYS HB2 . . 3.670 3.163 3.019 3.324 . 0 0 "[ . 1 . 2]" 1
137 1 11 LYS H 1 11 LYS HB3 . . 3.200 2.480 2.360 2.598 . 0 0 "[ . 1 . 2]" 1
138 1 11 LYS H 1 11 LYS QG . . 4.110 3.930 3.807 4.037 . 0 0 "[ . 1 . 2]" 1
139 1 11 LYS H 1 12 ALA H . . 4.690 4.422 4.327 4.501 . 0 0 "[ . 1 . 2]" 1
140 1 11 LYS H 1 13 LEU MD2 . . 5.140 4.590 4.437 4.815 . 0 0 "[ . 1 . 2]" 1
141 1 11 LYS H 1 59 VAL HA . . 4.650 4.358 4.113 4.589 . 0 0 "[ . 1 . 2]" 1
142 1 11 LYS H 1 59 VAL MG1 . . 5.380 4.822 4.710 5.051 . 0 0 "[ . 1 . 2]" 1
143 1 11 LYS H 1 59 VAL MG2 . . 4.740 4.579 4.413 4.736 . 0 0 "[ . 1 . 2]" 1
144 1 11 LYS H 1 60 GLU H . . 3.350 2.517 2.304 2.885 . 0 0 "[ . 1 . 2]" 1
145 1 11 LYS H 1 60 GLU HB3 . . 4.330 3.486 3.190 3.897 . 0 0 "[ . 1 . 2]" 1
146 1 11 LYS H 1 60 GLU QG . . 4.670 4.242 3.935 4.510 . 0 0 "[ . 1 . 2]" 1
147 1 11 LYS H 1 61 GLU HA . . 4.220 4.163 3.982 4.220 0.000 16 0 "[ . 1 . 2]" 1
148 1 11 LYS H 1 62 LEU H . . 4.630 4.567 4.387 4.627 . 0 0 "[ . 1 . 2]" 1
149 1 11 LYS H 1 62 LEU MD1 . . 3.830 2.829 2.442 3.385 . 0 0 "[ . 1 . 2]" 1
150 1 11 LYS H 1 62 LEU MD2 . . 3.930 3.735 3.562 3.876 . 0 0 "[ . 1 . 2]" 1
151 1 11 LYS H 1 62 LEU HG . . 4.050 2.679 2.415 2.843 . 0 0 "[ . 1 . 2]" 1
152 1 11 LYS HA 1 11 LYS QD . . 4.210 3.862 2.510 4.233 0.023 9 0 "[ . 1 . 2]" 1
153 1 11 LYS HA 1 11 LYS QE . . 5.340 4.581 4.077 4.780 . 0 0 "[ . 1 . 2]" 1
154 1 11 LYS HA 1 11 LYS QG . . 3.370 2.574 2.417 2.775 . 0 0 "[ . 1 . 2]" 1
155 1 11 LYS HA 1 12 ALA H . . 2.760 2.176 2.153 2.221 . 0 0 "[ . 1 . 2]" 1
156 1 11 LYS HA 1 12 ALA MB . . 4.060 3.989 3.923 4.001 . 0 0 "[ . 1 . 2]" 1
157 1 11 LYS HA 1 31 ILE H . . 4.850 4.702 4.434 4.849 . 0 0 "[ . 1 . 2]" 1
158 1 11 LYS HA 1 31 ILE HA . . 3.560 2.634 2.426 2.829 . 0 0 "[ . 1 . 2]" 1
159 1 11 LYS HA 1 31 ILE MD . . 3.250 2.357 1.989 2.590 . 0 0 "[ . 1 . 2]" 1
160 1 11 LYS HA 1 31 ILE HG12 . . 4.850 4.603 4.327 4.850 . 0 0 "[ . 1 . 2]" 1
161 1 11 LYS HA 1 31 ILE HG13 . . 5.500 5.174 4.834 5.408 . 0 0 "[ . 1 . 2]" 1
162 1 11 LYS HA 1 31 ILE MG . . 4.510 4.131 3.881 4.314 . 0 0 "[ . 1 . 2]" 1
163 1 11 LYS HA 1 32 VAL H . . 4.000 3.678 3.523 3.849 . 0 0 "[ . 1 . 2]" 1
164 1 11 LYS HA 1 32 VAL MG2 . . 4.490 4.310 4.107 4.463 . 0 0 "[ . 1 . 2]" 1
165 1 11 LYS HA 1 62 LEU MD2 . . 5.370 5.191 4.481 5.373 0.003 9 0 "[ . 1 . 2]" 1
166 1 11 LYS HB2 1 11 LYS HE2 . . 4.230 3.446 2.266 4.229 . 0 0 "[ . 1 . 2]" 1
167 1 11 LYS HB2 1 11 LYS QE . . 3.540 2.931 2.251 3.415 . 0 0 "[ . 1 . 2]" 1
168 1 11 LYS HB2 1 11 LYS HE3 . . 4.230 3.417 3.030 3.866 . 0 0 "[ . 1 . 2]" 1
169 1 11 LYS HB2 1 12 ALA H . . 4.250 4.041 3.817 4.175 . 0 0 "[ . 1 . 2]" 1
170 1 11 LYS HB2 1 62 LEU MD1 . . 3.220 1.935 1.769 2.116 . 0 0 "[ . 1 . 2]" 1
171 1 11 LYS HB3 1 11 LYS QE . . 3.660 2.366 2.133 3.407 . 0 0 "[ . 1 . 2]" 1
172 1 11 LYS HB3 1 12 ALA H . . 4.600 4.219 4.093 4.332 . 0 0 "[ . 1 . 2]" 1
173 1 11 LYS HB3 1 60 GLU HB3 . . 4.060 3.503 3.104 3.861 . 0 0 "[ . 1 . 2]" 1
174 1 11 LYS HB3 1 62 LEU MD1 . . 3.580 2.462 2.023 3.341 . 0 0 "[ . 1 . 2]" 1
175 1 11 LYS HB3 1 62 LEU MD2 . . 3.880 3.070 2.713 3.237 . 0 0 "[ . 1 . 2]" 1
176 1 11 LYS QD 1 12 ALA H . . 4.850 4.383 3.233 4.649 . 0 0 "[ . 1 . 2]" 1
177 1 11 LYS QD 1 13 LEU HA . . 5.210 4.736 3.420 5.060 . 0 0 "[ . 1 . 2]" 1
178 1 11 LYS QD 1 13 LEU MD2 . . 4.070 3.809 2.155 4.034 . 0 0 "[ . 1 . 2]" 1
179 1 11 LYS QD 1 29 GLY H . . 4.790 4.171 3.649 4.562 . 0 0 "[ . 1 . 2]" 1
180 1 11 LYS QD 1 29 GLY HA2 . . 3.800 2.527 1.986 2.708 . 0 0 "[ . 1 . 2]" 1
181 1 11 LYS QD 1 29 GLY HA3 . . 4.140 3.843 3.490 4.026 . 0 0 "[ . 1 . 2]" 1
182 1 11 LYS QD 1 62 LEU MD1 . . 3.320 3.024 2.751 3.323 0.003 9 0 "[ . 1 . 2]" 1
183 1 11 LYS QE 1 11 LYS QG . . 3.130 2.320 2.037 2.567 . 0 0 "[ . 1 . 2]" 1
184 1 11 LYS QE 1 13 LEU MD2 . . 3.620 2.713 2.106 3.638 0.018 20 0 "[ . 1 . 2]" 1
185 1 11 LYS QE 1 29 GLY HA2 . . 4.740 4.499 4.050 4.736 . 0 0 "[ . 1 . 2]" 1
186 1 11 LYS QE 1 31 ILE MD . . 4.710 4.096 2.834 4.524 . 0 0 "[ . 1 . 2]" 1
187 1 11 LYS QE 1 62 LEU MD1 . . 4.240 2.959 2.056 3.956 . 0 0 "[ . 1 . 2]" 1
188 1 11 LYS QE 1 62 LEU MD2 . . 3.550 3.078 2.628 3.507 . 0 0 "[ . 1 . 2]" 1
189 1 11 LYS HE2 1 11 LYS QG . . 3.570 3.258 2.642 3.444 . 0 0 "[ . 1 . 2]" 1
190 1 11 LYS HE2 1 29 GLY HA2 . . 5.500 5.173 4.604 5.496 . 0 0 "[ . 1 . 2]" 1
191 1 11 LYS HE2 1 62 LEU MD2 . . 4.080 3.493 2.668 4.062 . 0 0 "[ . 1 . 2]" 1
192 1 11 LYS HE3 1 11 LYS QG . . 3.570 2.414 2.074 3.487 . 0 0 "[ . 1 . 2]" 1
193 1 11 LYS HE3 1 29 GLY HA2 . . 5.500 4.968 4.321 5.377 . 0 0 "[ . 1 . 2]" 1
194 1 11 LYS HE3 1 62 LEU MD2 . . 4.080 3.598 3.112 3.951 . 0 0 "[ . 1 . 2]" 1
195 1 11 LYS QG 1 12 ALA H . . 3.500 2.554 2.315 2.727 . 0 0 "[ . 1 . 2]" 1
196 1 11 LYS QG 1 13 LEU HA . . 3.890 3.474 3.312 3.808 . 0 0 "[ . 1 . 2]" 1
197 1 11 LYS QG 1 13 LEU MD2 . . 4.360 2.606 2.065 3.149 . 0 0 "[ . 1 . 2]" 1
198 1 11 LYS QG 1 29 GLY H . . 3.710 3.402 3.095 3.703 . 0 0 "[ . 1 . 2]" 1
199 1 11 LYS QG 1 29 GLY HA2 . . 3.630 2.548 2.186 3.186 . 0 0 "[ . 1 . 2]" 1
200 1 11 LYS QG 1 29 GLY HA3 . . 4.750 4.117 3.739 4.756 0.006 20 0 "[ . 1 . 2]" 1
201 1 11 LYS QG 1 30 ASP H . . 3.760 3.128 2.821 3.515 . 0 0 "[ . 1 . 2]" 1
202 1 11 LYS QG 1 31 ILE MD . . 3.720 2.909 2.425 3.643 . 0 0 "[ . 1 . 2]" 1
203 1 12 ALA H 1 12 ALA MB . . 2.880 2.225 2.150 2.265 . 0 0 "[ . 1 . 2]" 1
204 1 12 ALA H 1 13 LEU H . . 4.600 4.265 3.951 4.368 . 0 0 "[ . 1 . 2]" 1
205 1 12 ALA H 1 29 GLY H . . 4.410 3.922 3.607 4.347 . 0 0 "[ . 1 . 2]" 1
206 1 12 ALA H 1 30 ASP H . . 3.680 2.510 2.059 2.735 . 0 0 "[ . 1 . 2]" 1
207 1 12 ALA H 1 30 ASP HB2 . . 4.590 3.780 3.518 3.944 . 0 0 "[ . 1 . 2]" 1
208 1 12 ALA H 1 30 ASP HB3 . . 4.910 4.471 4.230 4.738 . 0 0 "[ . 1 . 2]" 1
209 1 12 ALA H 1 31 ILE H . . 5.090 4.837 4.645 4.959 . 0 0 "[ . 1 . 2]" 1
210 1 12 ALA H 1 31 ILE HA . . 4.050 3.774 3.655 3.920 . 0 0 "[ . 1 . 2]" 1
211 1 12 ALA H 1 31 ILE MD . . 4.030 3.682 3.301 3.974 . 0 0 "[ . 1 . 2]" 1
212 1 12 ALA H 1 32 VAL H . . 4.930 4.540 4.310 4.877 . 0 0 "[ . 1 . 2]" 1
213 1 12 ALA H 1 32 VAL MG2 . . 4.250 3.893 3.687 4.131 . 0 0 "[ . 1 . 2]" 1
214 1 12 ALA H 1 59 VAL HB . . 5.030 4.503 4.375 4.613 . 0 0 "[ . 1 . 2]" 1
215 1 12 ALA H 1 59 VAL MG1 . . 4.230 3.693 3.496 3.897 . 0 0 "[ . 1 . 2]" 1
216 1 12 ALA HA 1 13 LEU H . . 3.060 2.193 2.153 2.351 . 0 0 "[ . 1 . 2]" 1
217 1 12 ALA HA 1 13 LEU MD2 . . 4.680 4.522 4.334 4.679 . 0 0 "[ . 1 . 2]" 1
218 1 12 ALA HA 1 13 LEU HG . . 4.170 3.917 3.757 4.143 . 0 0 "[ . 1 . 2]" 1
219 1 12 ALA HA 1 14 TYR H . . 4.070 3.585 3.337 3.795 . 0 0 "[ . 1 . 2]" 1
220 1 12 ALA HA 1 26 LEU MD1 . . 4.500 3.820 3.397 4.331 . 0 0 "[ . 1 . 2]" 1
221 1 12 ALA HA 1 59 VAL HA . . 3.280 2.152 2.008 2.398 . 0 0 "[ . 1 . 2]" 1
222 1 12 ALA HA 1 59 VAL HB . . 4.250 3.366 3.211 3.458 . 0 0 "[ . 1 . 2]" 1
223 1 12 ALA HA 1 59 VAL MG1 . . 3.110 2.144 1.975 2.326 . 0 0 "[ . 1 . 2]" 1
224 1 12 ALA HA 1 59 VAL MG2 . . 4.410 4.400 4.342 4.422 0.012 20 0 "[ . 1 . 2]" 1
225 1 12 ALA HA 1 60 GLU H . . 4.030 3.843 3.752 4.006 . 0 0 "[ . 1 . 2]" 1
226 1 12 ALA MB 1 13 LEU H . . 3.640 3.468 3.364 3.657 0.017 20 0 "[ . 1 . 2]" 1
227 1 12 ALA MB 1 14 TYR H . . 3.690 3.409 3.159 3.681 . 0 0 "[ . 1 . 2]" 1
228 1 12 ALA MB 1 15 SER HA . . 3.900 3.662 3.530 3.854 . 0 0 "[ . 1 . 2]" 1
229 1 12 ALA MB 1 26 LEU H . . 5.500 5.284 5.154 5.495 . 0 0 "[ . 1 . 2]" 1
230 1 12 ALA MB 1 26 LEU HB2 . . 3.640 3.222 2.984 3.448 . 0 0 "[ . 1 . 2]" 1
231 1 12 ALA MB 1 26 LEU HB3 . . 3.240 2.229 2.106 2.521 . 0 0 "[ . 1 . 2]" 1
232 1 12 ALA MB 1 26 LEU MD1 . . 3.220 2.831 2.386 3.219 . 0 0 "[ . 1 . 2]" 1
233 1 12 ALA MB 1 26 LEU MD2 . . 3.460 2.978 2.732 3.261 . 0 0 "[ . 1 . 2]" 1
234 1 12 ALA MB 1 26 LEU HG . . 5.110 4.535 4.362 4.740 . 0 0 "[ . 1 . 2]" 1
235 1 12 ALA MB 1 27 GLU H . . 4.110 2.943 2.461 3.229 . 0 0 "[ . 1 . 2]" 1
236 1 12 ALA MB 1 27 GLU QB . . 5.340 4.327 4.117 4.491 . 0 0 "[ . 1 . 2]" 1
237 1 12 ALA MB 1 28 LYS HA . . 3.480 3.434 3.326 3.485 0.005 20 0 "[ . 1 . 2]" 1
238 1 12 ALA MB 1 29 GLY H . . 3.280 2.999 2.771 3.218 . 0 0 "[ . 1 . 2]" 1
239 1 12 ALA MB 1 29 GLY HA2 . . 4.560 4.284 3.762 4.515 . 0 0 "[ . 1 . 2]" 1
240 1 12 ALA MB 1 30 ASP H . . 3.100 2.142 1.881 2.328 . 0 0 "[ . 1 . 2]" 1
241 1 12 ALA MB 1 30 ASP HB2 . . 3.320 2.297 2.031 2.523 . 0 0 "[ . 1 . 2]" 1
242 1 12 ALA MB 1 30 ASP HB3 . . 3.630 3.433 3.081 3.606 . 0 0 "[ . 1 . 2]" 1
243 1 12 ALA MB 1 32 VAL MG2 . . 3.900 3.070 2.809 3.221 . 0 0 "[ . 1 . 2]" 1
244 1 12 ALA MB 1 47 LEU MD1 . . 5.060 4.120 3.908 4.508 . 0 0 "[ . 1 . 2]" 1
245 1 12 ALA MB 1 47 LEU MD2 . . 5.330 4.080 3.756 4.381 . 0 0 "[ . 1 . 2]" 1
246 1 12 ALA MB 1 58 TYR HB3 . . 4.800 3.934 3.696 4.472 . 0 0 "[ . 1 . 2]" 1
247 1 12 ALA MB 1 59 VAL HA . . 4.060 3.807 3.664 4.038 . 0 0 "[ . 1 . 2]" 1
248 1 12 ALA MB 1 59 VAL MG1 . . 3.490 2.379 2.206 2.647 . 0 0 "[ . 1 . 2]" 1
249 1 13 LEU H 1 13 LEU HB2 . . 3.750 2.611 2.512 2.705 . 0 0 "[ . 1 . 2]" 1
250 1 13 LEU H 1 13 LEU QB . . 3.160 2.551 2.466 2.628 . 0 0 "[ . 1 . 2]" 1
251 1 13 LEU H 1 13 LEU HB3 . . 3.750 3.588 3.570 3.612 . 0 0 "[ . 1 . 2]" 1
252 1 13 LEU H 1 13 LEU MD1 . . 4.040 3.546 3.438 3.639 . 0 0 "[ . 1 . 2]" 1
253 1 13 LEU H 1 13 LEU MD2 . . 3.810 3.099 2.889 3.280 . 0 0 "[ . 1 . 2]" 1
254 1 13 LEU H 1 13 LEU HG . . 3.480 2.061 1.896 2.251 . 0 0 "[ . 1 . 2]" 1
255 1 13 LEU H 1 14 TYR H . . 2.910 2.597 2.406 2.738 . 0 0 "[ . 1 . 2]" 1
256 1 13 LEU H 1 14 TYR QD . . 4.770 3.696 3.537 3.947 . 0 0 "[ . 1 . 2]" 1
257 1 13 LEU H 1 59 VAL H . . 4.910 4.582 4.434 4.911 0.001 20 0 "[ . 1 . 2]" 1
258 1 13 LEU H 1 59 VAL HA . . 3.400 2.363 2.190 2.486 . 0 0 "[ . 1 . 2]" 1
259 1 13 LEU H 1 59 VAL HB . . 4.750 4.570 4.355 4.730 . 0 0 "[ . 1 . 2]" 1
260 1 13 LEU H 1 59 VAL MG1 . . 3.860 3.753 3.534 3.860 . 0 0 "[ . 1 . 2]" 1
261 1 13 LEU H 1 60 GLU H . . 4.140 3.766 3.183 4.064 . 0 0 "[ . 1 . 2]" 1
262 1 13 LEU HA 1 13 LEU MD1 . . 3.990 3.912 3.863 3.951 . 0 0 "[ . 1 . 2]" 1
263 1 13 LEU HA 1 13 LEU MD2 . . 2.670 2.255 2.101 2.408 . 0 0 "[ . 1 . 2]" 1
264 1 13 LEU HA 1 13 LEU HG . . 3.710 3.221 3.161 3.303 . 0 0 "[ . 1 . 2]" 1
265 1 13 LEU HA 1 14 TYR QD . . 4.960 4.573 4.446 4.689 . 0 0 "[ . 1 . 2]" 1
266 1 13 LEU HA 1 14 TYR QE . . 5.190 5.036 4.862 5.140 . 0 0 "[ . 1 . 2]" 1
267 1 13 LEU HA 1 28 LYS HA . . 5.030 4.310 3.973 4.908 . 0 0 "[ . 1 . 2]" 1
268 1 13 LEU HA 1 28 LYS QD . . 5.500 5.262 4.003 5.502 0.002 16 0 "[ . 1 . 2]" 1
269 1 13 LEU HA 1 28 LYS QE . . 4.320 4.071 3.054 4.320 0.000 16 0 "[ . 1 . 2]" 1
270 1 13 LEU HA 1 28 LYS QG . . 4.570 4.036 3.639 4.569 . 0 0 "[ . 1 . 2]" 1
271 1 13 LEU HA 1 29 GLY H . . 4.760 3.925 3.659 4.170 . 0 0 "[ . 1 . 2]" 1
272 1 13 LEU QB 1 13 LEU MD1 . . 3.000 2.073 2.037 2.097 . 0 0 "[ . 1 . 2]" 1
273 1 13 LEU QB 1 13 LEU MD2 . . 3.200 2.241 2.157 2.317 . 0 0 "[ . 1 . 2]" 1
274 1 13 LEU QB 1 14 TYR H . . 3.260 2.686 2.432 2.934 . 0 0 "[ . 1 . 2]" 1
275 1 13 LEU QB 1 14 TYR QD . . 3.270 2.202 2.050 2.375 . 0 0 "[ . 1 . 2]" 1
276 1 13 LEU QB 1 14 TYR QE . . 3.250 2.273 2.148 2.394 . 0 0 "[ . 1 . 2]" 1
277 1 13 LEU QB 1 28 LYS QE . . 5.340 4.378 3.714 4.622 . 0 0 "[ . 1 . 2]" 1
278 1 13 LEU QB 1 58 TYR HA . . 4.740 3.606 3.435 3.757 . 0 0 "[ . 1 . 2]" 1
279 1 13 LEU HB2 1 14 TYR H . . 4.000 2.739 2.467 3.019 . 0 0 "[ . 1 . 2]" 1
280 1 13 LEU HB2 1 14 TYR QE . . 3.750 2.333 2.209 2.468 . 0 0 "[ . 1 . 2]" 1
281 1 13 LEU HB2 1 58 TYR HA . . 5.500 3.664 3.490 3.825 . 0 0 "[ . 1 . 2]" 1
282 1 13 LEU HB3 1 14 TYR H . . 4.000 3.879 3.688 3.993 . 0 0 "[ . 1 . 2]" 1
283 1 13 LEU HB3 1 14 TYR QE . . 3.750 3.157 2.836 3.306 . 0 0 "[ . 1 . 2]" 1
284 1 13 LEU HB3 1 58 TYR HA . . 5.500 5.375 5.122 5.501 0.001 20 0 "[ . 1 . 2]" 1
285 1 13 LEU MD1 1 14 TYR QD . . 4.400 3.612 3.453 3.770 . 0 0 "[ . 1 . 2]" 1
286 1 13 LEU MD1 1 14 TYR QE . . 3.740 2.239 2.028 2.477 . 0 0 "[ . 1 . 2]" 1
287 1 13 LEU MD1 1 57 ALA HA . . 5.080 4.854 4.499 5.084 0.004 20 0 "[ . 1 . 2]" 1
288 1 13 LEU MD1 1 58 TYR HA . . 4.360 4.218 3.944 4.366 0.006 20 0 "[ . 1 . 2]" 1
289 1 13 LEU MD1 1 59 VAL H . . 5.160 4.868 4.424 5.001 . 0 0 "[ . 1 . 2]" 1
290 1 13 LEU MD1 1 59 VAL HA . . 4.170 4.068 3.765 4.171 0.001 16 0 "[ . 1 . 2]" 1
291 1 13 LEU MD1 1 60 GLU H . . 4.300 4.022 3.397 4.283 . 0 0 "[ . 1 . 2]" 1
292 1 13 LEU MD1 1 60 GLU HB2 . . 3.160 2.113 1.975 2.351 . 0 0 "[ . 1 . 2]" 1
293 1 13 LEU MD1 1 60 GLU QG . . 4.290 3.664 3.281 3.984 . 0 0 "[ . 1 . 2]" 1
294 1 13 LEU MD2 1 14 TYR H . . 4.840 4.645 4.545 4.718 . 0 0 "[ . 1 . 2]" 1
295 1 13 LEU MD2 1 14 TYR QE . . 4.670 4.387 4.286 4.461 . 0 0 "[ . 1 . 2]" 1
296 1 13 LEU MD2 1 28 LYS QE . . 5.500 5.180 3.820 5.502 0.002 20 0 "[ . 1 . 2]" 1
297 1 13 LEU MD2 1 59 VAL HA . . 4.450 4.262 4.046 4.433 . 0 0 "[ . 1 . 2]" 1
298 1 13 LEU MD2 1 60 GLU H . . 4.180 3.830 3.509 4.147 . 0 0 "[ . 1 . 2]" 1
299 1 13 LEU MD2 1 60 GLU HB2 . . 3.490 2.989 2.611 3.492 0.002 20 0 "[ . 1 . 2]" 1
300 1 13 LEU MD2 1 60 GLU HB3 . . 3.250 2.576 2.210 2.837 . 0 0 "[ . 1 . 2]" 1
301 1 13 LEU MD2 1 60 GLU QG . . 3.880 3.595 3.119 3.868 . 0 0 "[ . 1 . 2]" 1
302 1 13 LEU HG 1 14 TYR H . . 4.620 4.155 4.020 4.423 . 0 0 "[ . 1 . 2]" 1
303 1 13 LEU HG 1 14 TYR QD . . 4.720 4.288 4.105 4.597 . 0 0 "[ . 1 . 2]" 1
304 1 13 LEU HG 1 14 TYR QE . . 4.610 4.124 4.006 4.323 . 0 0 "[ . 1 . 2]" 1
305 1 13 LEU HG 1 59 VAL HA . . 3.620 3.003 2.744 3.118 . 0 0 "[ . 1 . 2]" 1
306 1 13 LEU HG 1 60 GLU H . . 3.830 3.244 2.621 3.547 . 0 0 "[ . 1 . 2]" 1
307 1 14 TYR H 1 14 TYR HB2 . . 3.450 2.915 2.799 3.027 . 0 0 "[ . 1 . 2]" 1
308 1 14 TYR H 1 14 TYR HB3 . . 4.040 3.864 3.803 3.941 . 0 0 "[ . 1 . 2]" 1
309 1 14 TYR H 1 14 TYR QD . . 3.780 2.326 2.091 2.713 . 0 0 "[ . 1 . 2]" 1
310 1 14 TYR H 1 14 TYR QE . . 4.790 4.309 4.143 4.566 . 0 0 "[ . 1 . 2]" 1
311 1 14 TYR H 1 15 SER H . . 4.420 4.381 4.284 4.426 0.006 20 0 "[ . 1 . 2]" 1
312 1 14 TYR H 1 28 LYS HA . . 4.920 4.505 4.207 4.771 . 0 0 "[ . 1 . 2]" 1
313 1 14 TYR H 1 29 GLY H . . 5.500 5.184 4.846 5.500 0.000 2 0 "[ . 1 . 2]" 1
314 1 14 TYR H 1 58 TYR HA . . 4.290 3.492 3.270 3.807 . 0 0 "[ . 1 . 2]" 1
315 1 14 TYR H 1 58 TYR HB2 . . 5.190 5.019 4.821 5.171 . 0 0 "[ . 1 . 2]" 1
316 1 14 TYR H 1 58 TYR HB3 . . 4.210 3.424 3.238 3.569 . 0 0 "[ . 1 . 2]" 1
317 1 14 TYR H 1 58 TYR QD . . 4.620 3.945 3.737 4.245 . 0 0 "[ . 1 . 2]" 1
318 1 14 TYR H 1 59 VAL HA . . 4.510 4.337 3.985 4.510 . 0 0 "[ . 1 . 2]" 1
319 1 14 TYR H 1 59 VAL MG1 . . 4.740 4.542 4.165 4.695 . 0 0 "[ . 1 . 2]" 1
320 1 14 TYR HA 1 14 TYR QD . . 3.930 3.229 3.140 3.272 . 0 0 "[ . 1 . 2]" 1
321 1 14 TYR HB2 1 15 SER H . . 4.060 3.806 3.519 3.937 . 0 0 "[ . 1 . 2]" 1
322 1 14 TYR HB2 1 58 TYR QD . . 3.710 2.683 2.465 2.922 . 0 0 "[ . 1 . 2]" 1
323 1 14 TYR HB2 1 58 TYR QE . . 4.130 3.469 3.251 3.724 . 0 0 "[ . 1 . 2]" 1
324 1 14 TYR HB3 1 15 SER H . . 3.370 3.067 2.744 3.194 . 0 0 "[ . 1 . 2]" 1
325 1 14 TYR HB3 1 58 TYR QD . . 4.280 4.051 3.550 4.276 . 0 0 "[ . 1 . 2]" 1
326 1 14 TYR HB3 1 58 TYR QE . . 4.500 4.138 3.830 4.400 . 0 0 "[ . 1 . 2]" 1
327 1 14 TYR QD 1 15 SER H . . 4.930 4.550 4.354 4.640 . 0 0 "[ . 1 . 2]" 1
328 1 14 TYR QD 1 28 LYS QE . . 4.970 4.048 3.398 4.510 . 0 0 "[ . 1 . 2]" 1
329 1 14 TYR QD 1 58 TYR HA . . 3.480 2.034 1.999 2.124 . 0 0 "[ . 1 . 2]" 1
330 1 14 TYR QD 1 58 TYR HB2 . . 5.020 4.703 4.608 4.833 . 0 0 "[ . 1 . 2]" 1
331 1 14 TYR QD 1 58 TYR HB3 . . 4.350 3.660 3.514 3.869 . 0 0 "[ . 1 . 2]" 1
332 1 14 TYR QE 1 57 ALA HA . . 5.500 5.371 5.171 5.477 . 0 0 "[ . 1 . 2]" 1
333 1 14 TYR QE 1 58 TYR HA . . 3.980 3.457 3.337 3.622 . 0 0 "[ . 1 . 2]" 1
334 1 14 TYR QE 1 58 TYR QD . . 5.500 5.420 5.292 5.501 0.001 16 0 "[ . 1 . 2]" 1
335 1 15 SER H 1 15 SER HB2 . . 3.640 3.336 2.466 3.602 . 0 0 "[ . 1 . 2]" 1
336 1 15 SER H 1 15 SER QB . . 2.970 2.555 2.256 2.688 . 0 0 "[ . 1 . 2]" 1
337 1 15 SER H 1 15 SER HB3 . . 3.640 2.834 2.489 3.622 . 0 0 "[ . 1 . 2]" 1
338 1 15 SER H 1 16 PHE H . . 4.640 4.532 4.464 4.636 . 0 0 "[ . 1 . 2]" 1
339 1 15 SER H 1 28 LYS QB . . 4.540 3.404 3.053 4.000 . 0 0 "[ . 1 . 2]" 1
340 1 15 SER H 1 58 TYR QD . . 5.350 4.711 4.394 4.902 . 0 0 "[ . 1 . 2]" 1
341 1 15 SER H 1 58 TYR QE . . 5.500 5.178 4.532 5.459 . 0 0 "[ . 1 . 2]" 1
342 1 15 SER HA 1 16 PHE H . . 2.830 2.157 2.138 2.286 . 0 0 "[ . 1 . 2]" 1
343 1 15 SER HA 1 16 PHE HB3 . . 4.820 4.639 4.543 4.727 . 0 0 "[ . 1 . 2]" 1
344 1 15 SER HA 1 26 LEU HB2 . . 4.170 3.249 2.800 3.634 . 0 0 "[ . 1 . 2]" 1
345 1 15 SER HA 1 26 LEU HB3 . . 4.470 3.944 3.608 4.291 . 0 0 "[ . 1 . 2]" 1
346 1 15 SER HA 1 27 GLU H . . 4.430 3.876 3.376 4.158 . 0 0 "[ . 1 . 2]" 1
347 1 15 SER HA 1 27 GLU HA . . 4.040 2.449 2.106 2.811 . 0 0 "[ . 1 . 2]" 1
348 1 15 SER HA 1 28 LYS HA . . 4.720 4.239 3.907 4.484 . 0 0 "[ . 1 . 2]" 1
349 1 15 SER QB 1 16 PHE H . . 3.460 3.219 3.001 3.443 . 0 0 "[ . 1 . 2]" 1
350 1 15 SER QB 1 27 GLU HA . . 3.280 2.302 2.115 2.473 . 0 0 "[ . 1 . 2]" 1
351 1 15 SER QB 1 28 LYS H . . 3.480 2.398 1.986 3.331 . 0 0 "[ . 1 . 2]" 1
352 1 15 SER QB 1 28 LYS HA . . 5.160 4.238 3.548 5.108 . 0 0 "[ . 1 . 2]" 1
353 1 15 SER HB2 1 16 PHE H . . 4.240 3.532 3.094 4.194 . 0 0 "[ . 1 . 2]" 1
354 1 15 SER HB2 1 27 GLU HA . . 3.760 2.884 2.229 3.756 . 0 0 "[ . 1 . 2]" 1
355 1 15 SER HB2 1 28 LYS H . . 3.990 3.611 2.191 3.987 . 0 0 "[ . 1 . 2]" 1
356 1 15 SER HB3 1 16 PHE H . . 4.240 3.998 3.193 4.240 0.000 6 0 "[ . 1 . 2]" 1
357 1 15 SER HB3 1 27 GLU HA . . 3.760 2.530 2.212 3.576 . 0 0 "[ . 1 . 2]" 1
358 1 15 SER HB3 1 28 LYS H . . 3.990 2.545 1.997 3.917 . 0 0 "[ . 1 . 2]" 1
359 1 16 PHE H 1 16 PHE HB2 . . 3.840 2.928 2.829 3.216 . 0 0 "[ . 1 . 2]" 1
360 1 16 PHE H 1 16 PHE HB3 . . 3.590 2.629 2.491 2.835 . 0 0 "[ . 1 . 2]" 1
361 1 16 PHE H 1 16 PHE QD . . 4.500 4.299 4.227 4.414 . 0 0 "[ . 1 . 2]" 1
362 1 16 PHE H 1 17 GLN H . . 4.600 4.487 4.367 4.564 . 0 0 "[ . 1 . 2]" 1
363 1 16 PHE H 1 26 LEU H . . 3.470 2.665 2.403 3.143 . 0 0 "[ . 1 . 2]" 1
364 1 16 PHE H 1 26 LEU HB2 . . 3.430 2.076 1.917 2.301 . 0 0 "[ . 1 . 2]" 1
365 1 16 PHE H 1 26 LEU HB3 . . 3.820 3.537 3.392 3.733 . 0 0 "[ . 1 . 2]" 1
366 1 16 PHE H 1 26 LEU MD1 . . 4.420 3.753 3.438 4.083 . 0 0 "[ . 1 . 2]" 1
367 1 16 PHE H 1 27 GLU HA . . 4.000 3.713 3.423 3.906 . 0 0 "[ . 1 . 2]" 1
368 1 16 PHE H 1 58 TYR QD . . 5.020 3.862 3.522 4.458 . 0 0 "[ . 1 . 2]" 1
369 1 16 PHE H 1 58 TYR QE . . 5.500 4.736 4.175 5.108 . 0 0 "[ . 1 . 2]" 1
370 1 16 PHE HB2 1 17 GLN H . . 4.290 4.024 3.759 4.263 . 0 0 "[ . 1 . 2]" 1
371 1 16 PHE HB2 1 26 LEU H . . 4.490 4.159 3.817 4.476 . 0 0 "[ . 1 . 2]" 1
372 1 16 PHE HB2 1 26 LEU HB2 . . 4.040 2.967 2.688 3.186 . 0 0 "[ . 1 . 2]" 1
373 1 16 PHE HB2 1 26 LEU HB3 . . 4.760 4.570 4.278 4.757 . 0 0 "[ . 1 . 2]" 1
374 1 16 PHE HB2 1 26 LEU MD1 . . 3.720 2.700 2.370 3.047 . 0 0 "[ . 1 . 2]" 1
375 1 16 PHE HB2 1 26 LEU HG . . 4.410 3.892 3.355 4.374 . 0 0 "[ . 1 . 2]" 1
376 1 16 PHE HB2 1 58 TYR QD . . 3.490 2.253 2.019 2.481 . 0 0 "[ . 1 . 2]" 1
377 1 16 PHE HB2 1 58 TYR QE . . 3.980 3.187 2.867 3.503 . 0 0 "[ . 1 . 2]" 1
378 1 16 PHE HB3 1 17 GLN H . . 4.670 3.827 3.394 4.115 . 0 0 "[ . 1 . 2]" 1
379 1 16 PHE HB3 1 26 LEU H . . 3.550 2.639 2.325 2.975 . 0 0 "[ . 1 . 2]" 1
380 1 16 PHE HB3 1 26 LEU HB2 . . 3.870 2.388 2.047 2.751 . 0 0 "[ . 1 . 2]" 1
381 1 16 PHE HB3 1 26 LEU HB3 . . 4.250 3.999 3.663 4.252 0.002 20 0 "[ . 1 . 2]" 1
382 1 16 PHE HB3 1 26 LEU MD1 . . 3.740 2.530 2.093 3.040 . 0 0 "[ . 1 . 2]" 1
383 1 16 PHE HB3 1 26 LEU MD2 . . 4.840 4.097 3.841 4.419 . 0 0 "[ . 1 . 2]" 1
384 1 16 PHE HB3 1 26 LEU HG . . 3.980 2.552 2.173 2.927 . 0 0 "[ . 1 . 2]" 1
385 1 16 PHE HB3 1 58 TYR QD . . 4.300 3.865 3.600 4.116 . 0 0 "[ . 1 . 2]" 1
386 1 16 PHE HB3 1 58 TYR QE . . 4.940 4.704 4.381 4.943 0.003 20 0 "[ . 1 . 2]" 1
387 1 16 PHE QD 1 17 GLN H . . 4.170 2.892 2.237 3.331 . 0 0 "[ . 1 . 2]" 1
388 1 16 PHE QD 1 18 ALA MB . . 5.500 3.778 3.096 4.384 . 0 0 "[ . 1 . 2]" 1
389 1 16 PHE QD 1 26 LEU H . . 4.100 3.742 3.136 4.101 0.001 20 0 "[ . 1 . 2]" 1
390 1 16 PHE QD 1 26 LEU MD1 . . 4.270 3.153 2.570 3.944 . 0 0 "[ . 1 . 2]" 1
391 1 16 PHE QD 1 26 LEU HG . . 4.070 3.102 2.611 3.464 . 0 0 "[ . 1 . 2]" 1
392 1 16 PHE QD 1 54 PHE HB2 . . 5.050 3.906 3.494 4.377 . 0 0 "[ . 1 . 2]" 1
393 1 16 PHE QD 1 54 PHE HB3 . . 4.900 3.925 3.561 4.264 . 0 0 "[ . 1 . 2]" 1
394 1 16 PHE QD 1 55 PRO HD2 . . 4.910 2.969 2.453 3.552 . 0 0 "[ . 1 . 2]" 1
395 1 16 PHE QD 1 55 PRO QD . . 4.320 2.776 2.340 3.261 . 0 0 "[ . 1 . 2]" 1
396 1 16 PHE QD 1 55 PRO HD3 . . 4.910 3.348 2.954 3.796 . 0 0 "[ . 1 . 2]" 1
397 1 16 PHE QD 1 55 PRO QG . . 4.340 3.022 2.534 3.397 . 0 0 "[ . 1 . 2]" 1
398 1 16 PHE QD 1 58 TYR HB2 . . 5.500 5.053 4.633 5.264 . 0 0 "[ . 1 . 2]" 1
399 1 16 PHE QD 1 58 TYR QD . . 4.770 3.545 3.240 4.091 . 0 0 "[ . 1 . 2]" 1
400 1 16 PHE QD 1 58 TYR QE . . 4.050 2.453 2.174 3.150 . 0 0 "[ . 1 . 2]" 1
401 1 16 PHE QE 1 18 ALA HA . . 3.930 2.977 2.076 3.641 . 0 0 "[ . 1 . 2]" 1
402 1 16 PHE QE 1 18 ALA MB . . 4.160 3.613 2.795 4.143 . 0 0 "[ . 1 . 2]" 1
403 1 16 PHE QE 1 23 GLU QB . . 4.070 2.560 2.065 3.786 . 0 0 "[ . 1 . 2]" 1
404 1 16 PHE QE 1 23 GLU QG . . 4.490 3.049 1.907 3.582 . 0 0 "[ . 1 . 2]" 1
405 1 16 PHE QE 1 24 LEU H . . 4.610 3.425 3.088 3.772 . 0 0 "[ . 1 . 2]" 1
406 1 16 PHE QE 1 54 PHE HB2 . . 5.270 4.934 4.570 5.246 . 0 0 "[ . 1 . 2]" 1
407 1 16 PHE QE 1 54 PHE HB3 . . 5.010 4.773 4.354 5.011 0.001 16 0 "[ . 1 . 2]" 1
408 1 16 PHE QE 1 55 PRO QB . . 5.360 4.302 3.783 4.637 . 0 0 "[ . 1 . 2]" 1
409 1 16 PHE QE 1 55 PRO HD2 . . 4.860 3.690 3.345 4.066 . 0 0 "[ . 1 . 2]" 1
410 1 16 PHE QE 1 55 PRO HD3 . . 4.860 2.867 2.384 3.420 . 0 0 "[ . 1 . 2]" 1
411 1 16 PHE QE 1 55 PRO QG . . 4.530 3.212 2.679 3.517 . 0 0 "[ . 1 . 2]" 1
412 1 16 PHE HZ 1 18 ALA HA . . 5.130 4.216 3.562 4.655 . 0 0 "[ . 1 . 2]" 1
413 1 16 PHE HZ 1 23 GLU QG . . 4.330 3.713 2.992 4.228 . 0 0 "[ . 1 . 2]" 1
414 1 17 GLN H 1 17 GLN QB . . 3.150 2.449 2.303 2.756 . 0 0 "[ . 1 . 2]" 1
415 1 17 GLN H 1 17 GLN HG2 . . 5.500 4.425 2.498 4.817 . 0 0 "[ . 1 . 2]" 1
416 1 17 GLN H 1 17 GLN QG . . 4.720 3.866 2.470 4.147 . 0 0 "[ . 1 . 2]" 1
417 1 17 GLN H 1 17 GLN HG3 . . 5.500 4.398 3.540 4.864 . 0 0 "[ . 1 . 2]" 1
418 1 17 GLN H 1 18 ALA H . . 4.540 4.133 3.883 4.447 . 0 0 "[ . 1 . 2]" 1
419 1 17 GLN H 1 26 LEU H . . 4.960 4.678 4.355 4.943 . 0 0 "[ . 1 . 2]" 1
420 1 17 GLN H 1 58 TYR QE . . 4.930 4.522 4.139 4.834 . 0 0 "[ . 1 . 2]" 1
421 1 17 GLN HA 1 17 GLN QG . . 3.580 2.430 2.216 3.295 . 0 0 "[ . 1 . 2]" 1
422 1 17 GLN HA 1 18 ALA H . . 2.650 2.178 2.139 2.261 . 0 0 "[ . 1 . 2]" 1
423 1 17 GLN HA 1 18 ALA MB . . 4.100 3.981 3.900 4.056 . 0 0 "[ . 1 . 2]" 1
424 1 17 GLN HA 1 26 LEU H . . 4.400 3.872 3.303 4.166 . 0 0 "[ . 1 . 2]" 1
425 1 17 GLN QB 1 18 ALA H . . 4.040 3.807 3.125 4.017 . 0 0 "[ . 1 . 2]" 1
426 1 17 GLN HG2 1 18 ALA H . . 4.430 3.917 2.745 4.427 . 0 0 "[ . 1 . 2]" 1
427 1 17 GLN HG3 1 18 ALA H . . 4.430 3.974 2.754 4.444 0.014 20 0 "[ . 1 . 2]" 1
428 1 18 ALA H 1 18 ALA MB . . 2.880 2.144 2.025 2.271 . 0 0 "[ . 1 . 2]" 1
429 1 18 ALA H 1 23 GLU QB . . 4.560 4.422 4.195 4.558 . 0 0 "[ . 1 . 2]" 1
430 1 18 ALA H 1 25 ASN H . . 5.210 4.110 3.717 4.636 . 0 0 "[ . 1 . 2]" 1
431 1 18 ALA H 1 25 ASN QB . . 4.220 2.637 2.204 3.056 . 0 0 "[ . 1 . 2]" 1
432 1 18 ALA H 1 25 ASN HD21 . . 4.920 2.603 1.804 3.254 . 0 0 "[ . 1 . 2]" 1
433 1 18 ALA H 1 26 LEU H . . 4.390 4.225 3.982 4.390 . 0 0 "[ . 1 . 2]" 1
434 1 18 ALA HA 1 19 ARG H . . 3.160 2.170 2.141 2.230 . 0 0 "[ . 1 . 2]" 1
435 1 18 ALA HA 1 20 GLN H . . 4.050 3.784 3.456 4.023 . 0 0 "[ . 1 . 2]" 1
436 1 18 ALA HA 1 23 GLU H . . 5.150 4.941 4.593 5.149 . 0 0 "[ . 1 . 2]" 1
437 1 18 ALA HA 1 23 GLU HA . . 5.500 4.993 4.616 5.286 . 0 0 "[ . 1 . 2]" 1
438 1 18 ALA HA 1 23 GLU QB . . 3.530 2.298 2.021 2.492 . 0 0 "[ . 1 . 2]" 1
439 1 18 ALA HA 1 23 GLU QG . . 4.600 3.608 1.973 4.168 . 0 0 "[ . 1 . 2]" 1
440 1 18 ALA HA 1 24 LEU H . . 4.850 4.179 3.763 4.592 . 0 0 "[ . 1 . 2]" 1
441 1 18 ALA MB 1 19 ARG H . . 3.680 3.410 3.212 3.556 . 0 0 "[ . 1 . 2]" 1
442 1 18 ALA MB 1 19 ARG HA . . 4.720 4.567 4.463 4.658 . 0 0 "[ . 1 . 2]" 1
443 1 18 ALA MB 1 20 GLN H . . 3.550 3.297 2.996 3.524 . 0 0 "[ . 1 . 2]" 1
444 1 18 ALA MB 1 23 GLU H . . 3.970 3.507 3.233 3.753 . 0 0 "[ . 1 . 2]" 1
445 1 18 ALA MB 1 23 GLU HA . . 4.690 3.826 3.627 4.079 . 0 0 "[ . 1 . 2]" 1
446 1 18 ALA MB 1 23 GLU QB . . 2.970 2.055 1.930 2.249 . 0 0 "[ . 1 . 2]" 1
447 1 18 ALA MB 1 23 GLU QG . . 3.950 3.749 2.900 3.938 . 0 0 "[ . 1 . 2]" 1
448 1 18 ALA MB 1 24 LEU H . . 3.860 2.864 2.486 3.263 . 0 0 "[ . 1 . 2]" 1
449 1 18 ALA MB 1 24 LEU HA . . 3.620 2.732 2.507 2.944 . 0 0 "[ . 1 . 2]" 1
450 1 18 ALA MB 1 25 ASN H . . 3.710 2.681 2.353 3.167 . 0 0 "[ . 1 . 2]" 1
451 1 18 ALA MB 1 25 ASN HA . . 4.540 2.859 2.611 3.111 . 0 0 "[ . 1 . 2]" 1
452 1 18 ALA MB 1 25 ASN HB2 . . 4.230 2.571 2.274 2.786 . 0 0 "[ . 1 . 2]" 1
453 1 18 ALA MB 1 25 ASN QB . . 3.650 2.531 2.252 2.735 . 0 0 "[ . 1 . 2]" 1
454 1 18 ALA MB 1 25 ASN HB3 . . 4.230 3.811 3.486 4.061 . 0 0 "[ . 1 . 2]" 1
455 1 18 ALA MB 1 25 ASN HD21 . . 4.150 3.664 3.046 4.106 . 0 0 "[ . 1 . 2]" 1
456 1 18 ALA MB 1 54 PHE HB3 . . 5.500 5.184 4.974 5.502 0.002 14 0 "[ . 1 . 2]" 1
457 1 19 ARG H 1 20 GLN H . . 3.110 2.787 2.602 2.949 . 0 0 "[ . 1 . 2]" 1
458 1 19 ARG H 1 23 GLU QB . . 4.420 3.054 2.713 3.516 . 0 0 "[ . 1 . 2]" 1
459 1 19 ARG H 1 23 GLU QG . . 4.820 3.733 2.181 4.739 . 0 0 "[ . 1 . 2]" 1
460 1 19 ARG HA 1 19 ARG QG . . 3.720 2.438 2.204 2.894 . 0 0 "[ . 1 . 2]" 1
461 1 19 ARG QB 1 20 GLN H . . 3.650 2.572 2.291 2.910 . 0 0 "[ . 1 . 2]" 1
462 1 19 ARG QB 1 23 GLU QG . . 5.460 4.053 3.351 4.945 . 0 0 "[ . 1 . 2]" 1
463 1 20 GLN H 1 20 GLN QB . . 3.620 2.764 2.530 3.200 . 0 0 "[ . 1 . 2]" 1
464 1 20 GLN H 1 20 GLN HG2 . . 4.270 3.368 1.968 4.218 . 0 0 "[ . 1 . 2]" 1
465 1 20 GLN H 1 20 GLN QG . . 3.560 2.956 1.948 3.397 . 0 0 "[ . 1 . 2]" 1
466 1 20 GLN H 1 20 GLN HG3 . . 4.270 3.611 2.741 4.270 0.000 19 0 "[ . 1 . 2]" 1
467 1 20 GLN H 1 21 ASP H . . 4.820 4.424 4.386 4.483 . 0 0 "[ . 1 . 2]" 1
468 1 20 GLN H 1 22 ASP H . . 5.020 4.767 4.422 4.991 . 0 0 "[ . 1 . 2]" 1
469 1 20 GLN H 1 23 GLU H . . 4.410 3.368 3.085 3.640 . 0 0 "[ . 1 . 2]" 1
470 1 20 GLN H 1 23 GLU QB . . 3.300 2.650 2.009 3.107 . 0 0 "[ . 1 . 2]" 1
471 1 20 GLN H 1 23 GLU QG . . 4.930 3.829 3.344 4.386 . 0 0 "[ . 1 . 2]" 1
472 1 20 GLN HA 1 21 ASP H . . 3.530 2.487 2.375 2.640 . 0 0 "[ . 1 . 2]" 1
473 1 20 GLN QB 1 20 GLN QE . . 4.030 3.317 2.460 3.717 . 0 0 "[ . 1 . 2]" 1
474 1 20 GLN QB 1 21 ASP H . . 3.750 2.232 2.015 2.455 . 0 0 "[ . 1 . 2]" 1
475 1 20 GLN QB 1 22 ASP H . . 3.720 2.791 2.551 3.189 . 0 0 "[ . 1 . 2]" 1
476 1 20 GLN QB 1 23 GLU H . . 4.400 3.550 2.782 4.208 . 0 0 "[ . 1 . 2]" 1
477 1 20 GLN QB 1 23 GLU QG . . 5.340 4.706 3.755 5.339 . 0 0 "[ . 1 . 2]" 1
478 1 20 GLN HB2 1 21 ASP H . . 4.330 3.256 2.031 3.723 . 0 0 "[ . 1 . 2]" 1
479 1 20 GLN HB2 1 22 ASP H . . 4.460 3.219 2.573 3.632 . 0 0 "[ . 1 . 2]" 1
480 1 20 GLN HB3 1 21 ASP H . . 4.330 2.518 2.051 3.633 . 0 0 "[ . 1 . 2]" 1
481 1 20 GLN HB3 1 22 ASP H . . 4.460 3.300 2.764 4.452 . 0 0 "[ . 1 . 2]" 1
482 1 21 ASP H 1 21 ASP QB . . 3.580 2.421 2.159 2.709 . 0 0 "[ . 1 . 2]" 1
483 1 21 ASP H 1 22 ASP H . . 4.450 2.847 2.603 3.010 . 0 0 "[ . 1 . 2]" 1
484 1 21 ASP H 1 23 GLU H . . 5.020 4.437 4.035 4.731 . 0 0 "[ . 1 . 2]" 1
485 1 21 ASP HA 1 23 GLU H . . 4.380 4.151 3.699 4.358 . 0 0 "[ . 1 . 2]" 1
486 1 21 ASP QB 1 22 ASP H . . 3.850 2.981 2.423 3.386 . 0 0 "[ . 1 . 2]" 1
487 1 22 ASP H 1 23 GLU H . . 3.360 2.916 2.567 3.100 . 0 0 "[ . 1 . 2]" 1
488 1 22 ASP QB 1 23 GLU H . . 4.090 2.651 2.366 3.370 . 0 0 "[ . 1 . 2]" 1
489 1 23 GLU H 1 23 GLU QB . . 3.010 2.297 2.161 2.460 . 0 0 "[ . 1 . 2]" 1
490 1 23 GLU H 1 23 GLU QG . . 4.000 3.030 2.453 4.031 0.031 14 0 "[ . 1 . 2]" 1
491 1 23 GLU H 1 24 LEU H . . 5.420 4.559 4.479 4.628 . 0 0 "[ . 1 . 2]" 1
492 1 23 GLU H 1 53 HIS H . . 4.820 4.586 4.305 4.821 0.001 20 0 "[ . 1 . 2]" 1
493 1 23 GLU HA 1 23 GLU QG . . 3.740 2.419 2.187 2.695 . 0 0 "[ . 1 . 2]" 1
494 1 23 GLU HA 1 24 LEU H . . 3.280 2.474 2.333 2.626 . 0 0 "[ . 1 . 2]" 1
495 1 23 GLU HA 1 52 GLY HA2 . . 5.240 4.720 4.375 5.104 . 0 0 "[ . 1 . 2]" 1
496 1 23 GLU HA 1 52 GLY HA3 . . 4.640 4.122 3.753 4.495 . 0 0 "[ . 1 . 2]" 1
497 1 23 GLU HA 1 53 HIS H . . 3.620 2.524 2.244 3.060 . 0 0 "[ . 1 . 2]" 1
498 1 23 GLU HA 1 53 HIS QB . . 4.370 2.684 2.338 3.322 . 0 0 "[ . 1 . 2]" 1
499 1 23 GLU QB 1 24 LEU H . . 3.510 2.334 1.952 3.155 . 0 0 "[ . 1 . 2]" 1
500 1 23 GLU QB 1 24 LEU HB2 . . 5.240 4.752 4.535 5.245 0.005 14 0 "[ . 1 . 2]" 1
501 1 23 GLU QB 1 53 HIS H . . 5.290 4.543 4.294 5.048 . 0 0 "[ . 1 . 2]" 1
502 1 23 GLU QG 1 24 LEU H . . 4.560 3.516 1.889 4.207 . 0 0 "[ . 1 . 2]" 1
503 1 23 GLU QG 1 42 TRP HE3 . . 5.460 4.240 3.690 5.019 . 0 0 "[ . 1 . 2]" 1
504 1 23 GLU QG 1 42 TRP HH2 . . 5.500 4.814 3.654 5.370 . 0 0 "[ . 1 . 2]" 1
505 1 23 GLU QG 1 42 TRP HZ3 . . 4.630 3.149 2.279 3.733 . 0 0 "[ . 1 . 2]" 1
506 1 23 GLU QG 1 53 HIS H . . 5.500 4.463 4.045 4.821 . 0 0 "[ . 1 . 2]" 1
507 1 23 GLU QG 1 53 HIS QB . . 3.870 3.412 2.980 3.871 0.001 14 0 "[ . 1 . 2]" 1
508 1 24 LEU H 1 24 LEU HB2 . . 3.690 2.757 2.608 2.887 . 0 0 "[ . 1 . 2]" 1
509 1 24 LEU H 1 24 LEU HB3 . . 3.740 2.922 2.852 3.011 . 0 0 "[ . 1 . 2]" 1
510 1 24 LEU H 1 24 LEU MD1 . . 5.140 4.463 4.292 4.584 . 0 0 "[ . 1 . 2]" 1
511 1 24 LEU H 1 24 LEU MD2 . . 4.750 4.289 4.235 4.336 . 0 0 "[ . 1 . 2]" 1
512 1 24 LEU H 1 24 LEU HG . . 4.780 4.584 4.507 4.642 . 0 0 "[ . 1 . 2]" 1
513 1 24 LEU H 1 25 ASN H . . 4.650 4.369 4.292 4.504 . 0 0 "[ . 1 . 2]" 1
514 1 24 LEU H 1 52 GLY HA3 . . 4.740 4.092 3.623 4.503 . 0 0 "[ . 1 . 2]" 1
515 1 24 LEU H 1 53 HIS H . . 4.190 3.674 3.263 4.139 . 0 0 "[ . 1 . 2]" 1
516 1 24 LEU H 1 54 PHE HB3 . . 4.680 3.344 3.200 3.617 . 0 0 "[ . 1 . 2]" 1
517 1 24 LEU HA 1 24 LEU MD1 . . 3.690 3.680 3.584 3.696 0.006 19 0 "[ . 1 . 2]" 1
518 1 24 LEU HA 1 24 LEU MD2 . . 3.200 2.929 2.817 3.103 . 0 0 "[ . 1 . 2]" 1
519 1 24 LEU HA 1 24 LEU HG . . 4.060 2.341 2.280 2.369 . 0 0 "[ . 1 . 2]" 1
520 1 24 LEU HA 1 25 ASN H . . 2.750 2.172 2.147 2.249 . 0 0 "[ . 1 . 2]" 1
521 1 24 LEU HA 1 25 ASN HB2 . . 4.940 4.492 4.296 4.737 . 0 0 "[ . 1 . 2]" 1
522 1 24 LEU HA 1 25 ASN QB . . 4.320 4.069 4.038 4.082 . 0 0 "[ . 1 . 2]" 1
523 1 24 LEU HA 1 25 ASN HB3 . . 4.940 4.673 4.456 4.906 . 0 0 "[ . 1 . 2]" 1
524 1 24 LEU HA 1 26 LEU MD2 . . 5.160 5.002 4.828 5.160 . 0 0 "[ . 1 . 2]" 1
525 1 24 LEU HA 1 50 LYS QE . . 5.500 4.988 4.360 5.255 . 0 0 "[ . 1 . 2]" 1
526 1 24 LEU HB2 1 24 LEU MD1 . . 3.310 2.140 1.985 2.237 . 0 0 "[ . 1 . 2]" 1
527 1 24 LEU HB2 1 25 ASN H . . 4.580 4.345 4.199 4.423 . 0 0 "[ . 1 . 2]" 1
528 1 24 LEU HB2 1 26 LEU MD2 . . 4.690 4.525 4.312 4.675 . 0 0 "[ . 1 . 2]" 1
529 1 24 LEU HB2 1 52 GLY H . . 4.730 3.650 3.439 3.915 . 0 0 "[ . 1 . 2]" 1
530 1 24 LEU HB2 1 52 GLY HA2 . . 4.740 3.772 3.578 3.905 . 0 0 "[ . 1 . 2]" 1
531 1 24 LEU HB2 1 52 GLY HA3 . . 4.390 2.234 2.037 2.371 . 0 0 "[ . 1 . 2]" 1
532 1 24 LEU HB2 1 54 PHE HB2 . . 5.210 5.080 4.934 5.211 0.001 14 0 "[ . 1 . 2]" 1
533 1 24 LEU HB2 1 54 PHE HB3 . . 4.480 3.326 3.180 3.467 . 0 0 "[ . 1 . 2]" 1
534 1 24 LEU HB2 1 54 PHE QD . . 3.620 2.841 2.589 3.014 . 0 0 "[ . 1 . 2]" 1
535 1 24 LEU HB3 1 24 LEU MD1 . . 3.260 2.517 2.456 2.670 . 0 0 "[ . 1 . 2]" 1
536 1 24 LEU HB3 1 24 LEU MD2 . . 3.260 2.115 2.019 2.214 . 0 0 "[ . 1 . 2]" 1
537 1 24 LEU HB3 1 25 ASN H . . 4.000 3.842 3.583 3.956 . 0 0 "[ . 1 . 2]" 1
538 1 24 LEU HB3 1 26 LEU MD2 . . 4.130 3.047 2.778 3.341 . 0 0 "[ . 1 . 2]" 1
539 1 24 LEU HB3 1 45 GLY H . . 5.500 5.393 5.107 5.499 . 0 0 "[ . 1 . 2]" 1
540 1 24 LEU HB3 1 47 LEU MD2 . . 5.250 5.149 4.901 5.246 . 0 0 "[ . 1 . 2]" 1
541 1 24 LEU HB3 1 52 GLY HA3 . . 4.720 3.967 3.697 4.110 . 0 0 "[ . 1 . 2]" 1
542 1 24 LEU HB3 1 54 PHE HB2 . . 4.590 3.794 3.682 3.918 . 0 0 "[ . 1 . 2]" 1
543 1 24 LEU HB3 1 54 PHE HB3 . . 4.390 2.115 2.000 2.243 . 0 0 "[ . 1 . 2]" 1
544 1 24 LEU HB3 1 54 PHE QD . . 4.160 2.416 2.185 2.688 . 0 0 "[ . 1 . 2]" 1
545 1 24 LEU MD1 1 25 ASN H . . 4.730 4.534 4.263 4.688 . 0 0 "[ . 1 . 2]" 1
546 1 24 LEU MD1 1 32 VAL MG1 . . 3.160 2.829 2.643 2.916 . 0 0 "[ . 1 . 2]" 1
547 1 24 LEU MD1 1 45 GLY H . . 4.110 3.104 2.932 3.312 . 0 0 "[ . 1 . 2]" 1
548 1 24 LEU MD1 1 45 GLY HA3 . . 4.550 4.189 4.011 4.280 . 0 0 "[ . 1 . 2]" 1
549 1 24 LEU MD1 1 46 SER HA . . 3.800 2.385 2.119 2.611 . 0 0 "[ . 1 . 2]" 1
550 1 24 LEU MD1 1 47 LEU H . . 3.730 2.392 1.933 2.817 . 0 0 "[ . 1 . 2]" 1
551 1 24 LEU MD1 1 47 LEU HB3 . . 3.730 3.336 3.126 3.676 . 0 0 "[ . 1 . 2]" 1
552 1 24 LEU MD1 1 50 LYS H . . 5.500 4.425 4.131 4.711 . 0 0 "[ . 1 . 2]" 1
553 1 24 LEU MD1 1 50 LYS HB2 . . 5.260 4.248 3.896 4.537 . 0 0 "[ . 1 . 2]" 1
554 1 24 LEU MD1 1 50 LYS QB . . 4.520 3.628 3.434 3.775 . 0 0 "[ . 1 . 2]" 1
555 1 24 LEU MD1 1 50 LYS HB3 . . 5.260 3.948 3.699 4.221 . 0 0 "[ . 1 . 2]" 1
556 1 24 LEU MD1 1 50 LYS QE . . 5.500 5.018 4.722 5.257 . 0 0 "[ . 1 . 2]" 1
557 1 24 LEU MD1 1 51 LYS H . . 4.100 3.965 3.848 4.082 . 0 0 "[ . 1 . 2]" 1
558 1 24 LEU MD1 1 51 LYS HA . . 3.900 2.155 1.967 2.261 . 0 0 "[ . 1 . 2]" 1
559 1 24 LEU MD1 1 52 GLY H . . 3.630 2.151 1.924 2.248 . 0 0 "[ . 1 . 2]" 1
560 1 24 LEU MD1 1 52 GLY HA2 . . 4.450 3.666 3.347 3.868 . 0 0 "[ . 1 . 2]" 1
561 1 24 LEU MD1 1 52 GLY HA3 . . 4.150 2.731 2.370 2.956 . 0 0 "[ . 1 . 2]" 1
562 1 24 LEU MD1 1 54 PHE HB3 . . 4.330 3.735 3.575 3.882 . 0 0 "[ . 1 . 2]" 1
563 1 24 LEU MD1 1 54 PHE QD . . 3.720 2.152 1.981 2.374 . 0 0 "[ . 1 . 2]" 1
564 1 24 LEU MD1 1 54 PHE QE . . 3.720 2.886 2.562 3.047 . 0 0 "[ . 1 . 2]" 1
565 1 24 LEU MD1 1 54 PHE HZ . . 5.500 4.909 4.622 5.079 . 0 0 "[ . 1 . 2]" 1
566 1 24 LEU MD2 1 25 ASN H . . 3.490 2.395 2.032 2.677 . 0 0 "[ . 1 . 2]" 1
567 1 24 LEU MD2 1 32 VAL MG1 . . 3.680 3.238 2.969 3.406 . 0 0 "[ . 1 . 2]" 1
568 1 24 LEU MD2 1 46 SER HA . . 4.010 3.893 3.714 4.013 0.003 19 0 "[ . 1 . 2]" 1
569 1 24 LEU MD2 1 47 LEU H . . 3.650 2.676 2.440 2.961 . 0 0 "[ . 1 . 2]" 1
570 1 24 LEU MD2 1 47 LEU HB2 . . 3.750 2.274 2.061 2.581 . 0 0 "[ . 1 . 2]" 1
571 1 24 LEU MD2 1 47 LEU HB3 . . 3.220 2.102 1.965 2.304 . 0 0 "[ . 1 . 2]" 1
572 1 24 LEU MD2 1 47 LEU MD2 . . 3.690 2.666 2.495 2.836 . 0 0 "[ . 1 . 2]" 1
573 1 24 LEU MD2 1 50 LYS H . . 5.280 4.571 4.440 4.833 . 0 0 "[ . 1 . 2]" 1
574 1 24 LEU MD2 1 50 LYS HB2 . . 4.730 3.782 3.420 4.043 . 0 0 "[ . 1 . 2]" 1
575 1 24 LEU MD2 1 50 LYS HB3 . . 4.730 4.052 3.744 4.621 . 0 0 "[ . 1 . 2]" 1
576 1 24 LEU MD2 1 50 LYS QE . . 5.500 4.746 3.914 5.159 . 0 0 "[ . 1 . 2]" 1
577 1 24 LEU MD2 1 51 LYS HA . . 4.680 4.513 4.285 4.642 . 0 0 "[ . 1 . 2]" 1
578 1 24 LEU MD2 1 52 GLY H . . 4.910 4.770 4.497 4.894 . 0 0 "[ . 1 . 2]" 1
579 1 24 LEU MD2 1 52 GLY HA3 . . 4.770 4.463 4.042 4.678 . 0 0 "[ . 1 . 2]" 1
580 1 24 LEU MD2 1 54 PHE HB3 . . 4.300 3.479 3.264 3.601 . 0 0 "[ . 1 . 2]" 1
581 1 24 LEU MD2 1 54 PHE QD . . 3.800 3.436 3.111 3.605 . 0 0 "[ . 1 . 2]" 1
582 1 24 LEU MD2 1 54 PHE QE . . 4.950 4.483 4.117 4.695 . 0 0 "[ . 1 . 2]" 1
583 1 24 LEU HG 1 25 ASN H . . 4.240 3.267 2.993 3.371 . 0 0 "[ . 1 . 2]" 1
584 1 24 LEU HG 1 47 LEU H . . 5.320 4.276 3.984 4.524 . 0 0 "[ . 1 . 2]" 1
585 1 24 LEU HG 1 52 GLY H . . 4.410 4.209 3.868 4.378 . 0 0 "[ . 1 . 2]" 1
586 1 24 LEU HG 1 52 GLY HA2 . . 5.180 4.796 4.201 5.058 . 0 0 "[ . 1 . 2]" 1
587 1 24 LEU HG 1 52 GLY HA3 . . 4.140 3.179 2.593 3.460 . 0 0 "[ . 1 . 2]" 1
588 1 24 LEU HG 1 54 PHE HB3 . . 5.500 5.104 4.990 5.241 . 0 0 "[ . 1 . 2]" 1
589 1 24 LEU HG 1 54 PHE QD . . 5.170 4.455 4.199 4.595 . 0 0 "[ . 1 . 2]" 1
590 1 25 ASN H 1 25 ASN HB2 . . 3.350 2.623 2.438 2.998 . 0 0 "[ . 1 . 2]" 1
591 1 25 ASN H 1 25 ASN QB . . 2.860 2.274 2.214 2.317 . 0 0 "[ . 1 . 2]" 1
592 1 25 ASN H 1 25 ASN HB3 . . 3.350 2.523 2.331 2.736 . 0 0 "[ . 1 . 2]" 1
593 1 25 ASN H 1 25 ASN HD21 . . 4.860 4.667 4.418 4.859 . 0 0 "[ . 1 . 2]" 1
594 1 25 ASN H 1 26 LEU H . . 4.820 4.585 4.503 4.633 . 0 0 "[ . 1 . 2]" 1
595 1 25 ASN H 1 26 LEU HG . . 5.060 4.814 4.606 5.049 . 0 0 "[ . 1 . 2]" 1
596 1 25 ASN H 1 50 LYS QE . . 5.500 5.151 4.290 5.500 0.000 10 0 "[ . 1 . 2]" 1
597 1 25 ASN H 1 54 PHE HB3 . . 5.500 5.468 5.374 5.501 0.001 20 0 "[ . 1 . 2]" 1
598 1 25 ASN QB 1 25 ASN HD22 . . 3.420 3.256 3.217 3.330 . 0 0 "[ . 1 . 2]" 1
599 1 25 ASN QB 1 26 LEU H . . 3.910 3.577 3.341 3.706 . 0 0 "[ . 1 . 2]" 1
600 1 25 ASN HB2 1 26 LEU H . . 4.500 4.083 3.690 4.339 . 0 0 "[ . 1 . 2]" 1
601 1 25 ASN HB3 1 26 LEU H . . 4.500 3.965 3.610 4.231 . 0 0 "[ . 1 . 2]" 1
602 1 26 LEU H 1 26 LEU HB2 . . 3.620 2.783 2.677 2.943 . 0 0 "[ . 1 . 2]" 1
603 1 26 LEU H 1 26 LEU HB3 . . 3.980 3.837 3.785 3.934 . 0 0 "[ . 1 . 2]" 1
604 1 26 LEU H 1 26 LEU MD1 . . 4.580 3.986 3.623 4.186 . 0 0 "[ . 1 . 2]" 1
605 1 26 LEU H 1 26 LEU MD2 . . 4.140 3.809 3.550 4.013 . 0 0 "[ . 1 . 2]" 1
606 1 26 LEU H 1 26 LEU HG . . 3.640 2.872 2.659 3.075 . 0 0 "[ . 1 . 2]" 1
607 1 26 LEU HB2 1 26 LEU MD1 . . 3.400 2.248 2.044 2.422 . 0 0 "[ . 1 . 2]" 1
608 1 26 LEU HB2 1 27 GLU H . . 4.100 3.628 3.079 3.866 . 0 0 "[ . 1 . 2]" 1
609 1 26 LEU HB2 1 58 TYR QD . . 5.260 3.963 3.587 4.254 . 0 0 "[ . 1 . 2]" 1
610 1 26 LEU HB3 1 26 LEU MD1 . . 3.430 2.415 2.242 2.610 . 0 0 "[ . 1 . 2]" 1
611 1 26 LEU HB3 1 26 LEU MD2 . . 3.390 2.257 2.141 2.415 . 0 0 "[ . 1 . 2]" 1
612 1 26 LEU HB3 1 27 GLU H . . 3.660 2.643 2.129 2.929 . 0 0 "[ . 1 . 2]" 1
613 1 26 LEU HB3 1 30 ASP HB2 . . 4.580 3.772 3.483 3.945 . 0 0 "[ . 1 . 2]" 1
614 1 26 LEU HB3 1 30 ASP HB3 . . 4.810 4.606 4.214 4.805 . 0 0 "[ . 1 . 2]" 1
615 1 26 LEU MD1 1 27 GLU H . . 5.200 4.658 4.231 4.957 . 0 0 "[ . 1 . 2]" 1
616 1 26 LEU MD1 1 47 LEU MD2 . . 4.950 4.549 4.223 4.785 . 0 0 "[ . 1 . 2]" 1
617 1 26 LEU MD1 1 54 PHE HB2 . . 3.770 1.973 1.850 2.083 . 0 0 "[ . 1 . 2]" 1
618 1 26 LEU MD1 1 54 PHE HB3 . . 3.910 2.992 2.774 3.182 . 0 0 "[ . 1 . 2]" 1
619 1 26 LEU MD1 1 54 PHE QD . . 3.830 2.918 2.554 3.275 . 0 0 "[ . 1 . 2]" 1
620 1 26 LEU MD1 1 55 PRO HD2 . . 4.890 2.315 2.008 2.870 . 0 0 "[ . 1 . 2]" 1
621 1 26 LEU MD1 1 55 PRO QD . . 4.070 2.296 1.998 2.833 . 0 0 "[ . 1 . 2]" 1
622 1 26 LEU MD1 1 55 PRO HD3 . . 4.890 3.852 3.553 4.370 . 0 0 "[ . 1 . 2]" 1
623 1 26 LEU MD1 1 58 TYR HB2 . . 4.270 3.023 2.672 3.403 . 0 0 "[ . 1 . 2]" 1
624 1 26 LEU MD1 1 58 TYR HB3 . . 4.080 2.759 2.498 3.082 . 0 0 "[ . 1 . 2]" 1
625 1 26 LEU MD1 1 58 TYR QD . . 4.040 3.439 3.029 3.801 . 0 0 "[ . 1 . 2]" 1
626 1 26 LEU MD2 1 27 GLU H . . 3.770 3.585 3.430 3.741 . 0 0 "[ . 1 . 2]" 1
627 1 26 LEU MD2 1 30 ASP HB2 . . 4.400 4.106 3.772 4.304 . 0 0 "[ . 1 . 2]" 1
628 1 26 LEU MD2 1 30 ASP HB3 . . 4.190 4.003 3.674 4.190 0.000 20 0 "[ . 1 . 2]" 1
629 1 26 LEU MD2 1 47 LEU HB2 . . 3.520 2.802 2.334 3.150 . 0 0 "[ . 1 . 2]" 1
630 1 26 LEU MD2 1 47 LEU MD2 . . 2.970 2.302 2.005 2.681 . 0 0 "[ . 1 . 2]" 1
631 1 26 LEU MD2 1 54 PHE QD . . 4.480 3.275 3.114 3.539 . 0 0 "[ . 1 . 2]" 1
632 1 26 LEU HG 1 54 PHE HB2 . . 5.250 3.342 3.096 3.585 . 0 0 "[ . 1 . 2]" 1
633 1 26 LEU HG 1 54 PHE HB3 . . 4.860 3.392 3.097 3.690 . 0 0 "[ . 1 . 2]" 1
634 1 27 GLU H 1 27 GLU HB2 . . 3.820 3.119 2.409 3.657 . 0 0 "[ . 1 . 2]" 1
635 1 27 GLU H 1 27 GLU QB . . 3.050 2.532 2.373 2.748 . 0 0 "[ . 1 . 2]" 1
636 1 27 GLU H 1 27 GLU HB3 . . 3.820 2.931 2.525 3.724 . 0 0 "[ . 1 . 2]" 1
637 1 27 GLU H 1 27 GLU QG . . 3.960 3.853 3.519 3.977 0.017 19 0 "[ . 1 . 2]" 1
638 1 27 GLU H 1 28 LYS H . . 4.840 4.410 4.274 4.492 . 0 0 "[ . 1 . 2]" 1
639 1 27 GLU H 1 30 ASP H . . 5.190 4.343 3.999 4.647 . 0 0 "[ . 1 . 2]" 1
640 1 27 GLU H 1 30 ASP HB2 . . 3.680 2.323 2.159 2.587 . 0 0 "[ . 1 . 2]" 1
641 1 27 GLU H 1 30 ASP HB3 . . 3.770 3.365 3.262 3.773 0.003 20 0 "[ . 1 . 2]" 1
642 1 27 GLU H 1 47 LEU MD2 . . 4.100 3.050 2.761 3.483 . 0 0 "[ . 1 . 2]" 1
643 1 27 GLU HA 1 27 GLU HG2 . . 3.950 3.372 2.449 3.900 . 0 0 "[ . 1 . 2]" 1
644 1 27 GLU HA 1 27 GLU QG . . 3.360 2.575 2.259 3.013 . 0 0 "[ . 1 . 2]" 1
645 1 27 GLU HA 1 27 GLU HG3 . . 3.950 2.777 2.350 3.631 . 0 0 "[ . 1 . 2]" 1
646 1 27 GLU HA 1 28 LYS H . . 2.800 2.264 2.194 2.440 . 0 0 "[ . 1 . 2]" 1
647 1 27 GLU HA 1 28 LYS HA . . 4.400 4.306 4.295 4.318 . 0 0 "[ . 1 . 2]" 1
648 1 27 GLU HA 1 28 LYS QB . . 4.430 4.167 4.138 4.221 . 0 0 "[ . 1 . 2]" 1
649 1 27 GLU QB 1 28 LYS H . . 3.550 3.279 2.387 3.550 0.000 1 0 "[ . 1 . 2]" 1
650 1 27 GLU HB2 1 28 LYS H . . 4.270 3.913 3.779 4.267 . 0 0 "[ . 1 . 2]" 1
651 1 27 GLU HB3 1 28 LYS H . . 4.270 3.674 2.412 4.184 . 0 0 "[ . 1 . 2]" 1
652 1 27 GLU QG 1 28 LYS H . . 3.890 2.637 2.037 3.893 0.003 15 0 "[ . 1 . 2]" 1
653 1 27 GLU HG2 1 28 LYS H . . 4.600 3.559 2.703 4.601 0.001 13 0 "[ . 1 . 2]" 1
654 1 27 GLU HG3 1 28 LYS H . . 4.600 2.854 2.060 4.590 . 0 0 "[ . 1 . 2]" 1
655 1 28 LYS H 1 28 LYS HB2 . . 3.000 2.400 2.169 2.585 . 0 0 "[ . 1 . 2]" 1
656 1 28 LYS H 1 28 LYS HB3 . . 3.000 2.671 2.467 2.977 . 0 0 "[ . 1 . 2]" 1
657 1 28 LYS H 1 28 LYS QE . . 5.500 4.643 4.080 5.504 0.004 13 0 "[ . 1 . 2]" 1
658 1 28 LYS H 1 28 LYS QG . . 4.550 3.986 3.961 4.052 . 0 0 "[ . 1 . 2]" 1
659 1 28 LYS HA 1 28 LYS QD . . 4.410 3.685 2.429 4.139 . 0 0 "[ . 1 . 2]" 1
660 1 28 LYS HA 1 28 LYS HG2 . . 3.720 3.467 3.300 3.722 0.002 8 0 "[ . 1 . 2]" 1
661 1 28 LYS HA 1 28 LYS HG3 . . 3.720 2.439 2.344 2.605 . 0 0 "[ . 1 . 2]" 1
662 1 28 LYS HA 1 29 GLY H . . 2.690 2.154 2.146 2.173 . 0 0 "[ . 1 . 2]" 1
663 1 28 LYS HA 1 29 GLY HA3 . . 4.480 4.380 4.371 4.414 . 0 0 "[ . 1 . 2]" 1
664 1 28 LYS QB 1 28 LYS QE . . 4.080 2.565 1.947 3.739 . 0 0 "[ . 1 . 2]" 1
665 1 28 LYS QB 1 29 GLY H . . 4.080 3.884 3.703 3.953 . 0 0 "[ . 1 . 2]" 1
666 1 28 LYS HB2 1 28 LYS QE . . 4.660 2.658 1.962 4.013 . 0 0 "[ . 1 . 2]" 1
667 1 28 LYS HB2 1 29 GLY H . . 4.650 4.433 4.344 4.506 . 0 0 "[ . 1 . 2]" 1
668 1 28 LYS HB3 1 28 LYS QE . . 4.660 3.727 3.260 4.463 . 0 0 "[ . 1 . 2]" 1
669 1 28 LYS HB3 1 29 GLY H . . 4.650 4.303 3.968 4.432 . 0 0 "[ . 1 . 2]" 1
670 1 28 LYS QD 1 29 GLY H . . 5.310 4.902 3.954 5.302 . 0 0 "[ . 1 . 2]" 1
671 1 28 LYS QE 1 28 LYS HG2 . . 3.490 3.182 2.420 3.448 . 0 0 "[ . 1 . 2]" 1
672 1 28 LYS QE 1 28 LYS QG . . 2.860 2.250 2.116 2.434 . 0 0 "[ . 1 . 2]" 1
673 1 28 LYS QE 1 28 LYS HG3 . . 3.490 2.315 2.144 2.492 . 0 0 "[ . 1 . 2]" 1
674 1 28 LYS QE 1 29 GLY H . . 5.180 4.697 3.971 5.180 . 0 0 "[ . 1 . 2]" 1
675 1 28 LYS QG 1 29 GLY H . . 3.700 3.085 2.764 3.250 . 0 0 "[ . 1 . 2]" 1
676 1 28 LYS QG 1 29 GLY HA3 . . 4.360 3.792 3.606 3.997 . 0 0 "[ . 1 . 2]" 1
677 1 28 LYS HG2 1 29 GLY HA3 . . 5.210 4.313 3.930 5.214 0.004 13 0 "[ . 1 . 2]" 1
678 1 28 LYS HG3 1 29 GLY HA3 . . 5.210 4.384 3.935 4.756 . 0 0 "[ . 1 . 2]" 1
679 1 29 GLY H 1 30 ASP H . . 3.300 2.435 2.205 2.829 . 0 0 "[ . 1 . 2]" 1
680 1 29 GLY H 1 30 ASP HB2 . . 5.040 4.284 4.147 4.579 . 0 0 "[ . 1 . 2]" 1
681 1 29 GLY HA2 1 31 ILE MD . . 4.720 4.381 4.126 4.666 . 0 0 "[ . 1 . 2]" 1
682 1 30 ASP H 1 30 ASP HB2 . . 3.130 2.441 2.367 2.553 . 0 0 "[ . 1 . 2]" 1
683 1 30 ASP H 1 30 ASP HB3 . . 3.640 3.604 3.557 3.639 . 0 0 "[ . 1 . 2]" 1
684 1 30 ASP H 1 47 LEU MD1 . . 5.500 4.874 4.731 5.123 . 0 0 "[ . 1 . 2]" 1
685 1 30 ASP H 1 47 LEU MD2 . . 5.500 5.494 5.460 5.502 0.002 13 0 "[ . 1 . 2]" 1
686 1 30 ASP HA 1 31 ILE H . . 2.520 2.150 2.144 2.164 . 0 0 "[ . 1 . 2]" 1
687 1 30 ASP HA 1 31 ILE HB . . 4.850 4.626 4.527 4.706 . 0 0 "[ . 1 . 2]" 1
688 1 30 ASP HA 1 31 ILE MD . . 4.450 4.093 3.719 4.414 . 0 0 "[ . 1 . 2]" 1
689 1 30 ASP HA 1 31 ILE HG12 . . 4.470 3.868 3.674 4.071 . 0 0 "[ . 1 . 2]" 1
690 1 30 ASP HA 1 32 VAL MG2 . . 5.140 4.933 4.822 5.030 . 0 0 "[ . 1 . 2]" 1
691 1 30 ASP HA 1 47 LEU MD1 . . 3.920 3.542 3.413 3.820 . 0 0 "[ . 1 . 2]" 1
692 1 30 ASP HA 1 47 LEU MD2 . . 5.500 4.852 4.575 5.119 . 0 0 "[ . 1 . 2]" 1
693 1 30 ASP HB2 1 31 ILE H . . 4.430 4.391 4.352 4.412 . 0 0 "[ . 1 . 2]" 1
694 1 30 ASP HB2 1 32 VAL MG2 . . 4.110 3.992 3.888 4.110 . 2 0 "[ . 1 . 2]" 1
695 1 30 ASP HB2 1 47 LEU MD1 . . 3.690 3.324 3.152 3.648 . 0 0 "[ . 1 . 2]" 1
696 1 30 ASP HB2 1 47 LEU MD2 . . 3.900 3.476 3.411 3.556 . 0 0 "[ . 1 . 2]" 1
697 1 30 ASP HB3 1 31 ILE H . . 3.410 3.384 3.292 3.411 0.001 14 0 "[ . 1 . 2]" 1
698 1 30 ASP HB3 1 32 VAL MG2 . . 3.720 3.285 3.115 3.476 . 0 0 "[ . 1 . 2]" 1
699 1 30 ASP HB3 1 47 LEU MD1 . . 3.310 1.920 1.788 2.203 . 0 0 "[ . 1 . 2]" 1
700 1 30 ASP HB3 1 47 LEU MD2 . . 3.660 2.792 2.584 2.943 . 0 0 "[ . 1 . 2]" 1
701 1 31 ILE H 1 31 ILE HB . . 2.770 2.500 2.427 2.574 . 0 0 "[ . 1 . 2]" 1
702 1 31 ILE H 1 31 ILE MD . . 3.780 3.215 2.953 3.448 . 0 0 "[ . 1 . 2]" 1
703 1 31 ILE H 1 31 ILE HG12 . . 3.410 2.455 2.254 2.726 . 0 0 "[ . 1 . 2]" 1
704 1 31 ILE H 1 31 ILE HG13 . . 4.520 3.879 3.689 4.080 . 0 0 "[ . 1 . 2]" 1
705 1 31 ILE H 1 31 ILE MG . . 3.850 3.779 3.750 3.798 . 0 0 "[ . 1 . 2]" 1
706 1 31 ILE H 1 32 VAL H . . 4.620 4.446 4.365 4.539 . 0 0 "[ . 1 . 2]" 1
707 1 31 ILE H 1 47 LEU MD1 . . 3.780 3.368 3.125 3.633 . 0 0 "[ . 1 . 2]" 1
708 1 31 ILE HA 1 31 ILE MD . . 3.240 2.005 1.906 2.152 . 0 0 "[ . 1 . 2]" 1
709 1 31 ILE HA 1 31 ILE HG12 . . 4.020 3.184 3.040 3.330 . 0 0 "[ . 1 . 2]" 1
710 1 31 ILE HA 1 31 ILE HG13 . . 4.080 3.659 3.566 3.741 . 0 0 "[ . 1 . 2]" 1
711 1 31 ILE HA 1 31 ILE MG . . 3.170 2.378 2.293 2.454 . 0 0 "[ . 1 . 2]" 1
712 1 31 ILE HA 1 32 VAL H . . 2.930 2.143 2.140 2.159 . 0 0 "[ . 1 . 2]" 1
713 1 31 ILE HA 1 32 VAL HB . . 4.830 4.722 4.603 4.826 . 0 0 "[ . 1 . 2]" 1
714 1 31 ILE HA 1 32 VAL MG2 . . 4.080 3.575 3.368 3.718 . 0 0 "[ . 1 . 2]" 1
715 1 31 ILE HB 1 31 ILE MD . . 3.360 3.212 3.190 3.223 . 0 0 "[ . 1 . 2]" 1
716 1 31 ILE HB 1 32 VAL H . . 4.510 4.261 4.174 4.353 . 0 0 "[ . 1 . 2]" 1
717 1 31 ILE MD 1 32 VAL H . . 3.760 3.544 3.331 3.658 . 0 0 "[ . 1 . 2]" 1
718 1 31 ILE HG12 1 32 VAL H . . 5.500 5.204 5.059 5.332 . 0 0 "[ . 1 . 2]" 1
719 1 31 ILE HG13 1 31 ILE MG . . 2.920 2.248 2.071 2.394 . 0 0 "[ . 1 . 2]" 1
720 1 31 ILE HG13 1 32 VAL H . . 5.500 5.398 5.109 5.500 0.000 10 0 "[ . 1 . 2]" 1
721 1 31 ILE MG 1 32 VAL H . . 3.220 2.676 2.320 2.904 . 0 0 "[ . 1 . 2]" 1
722 1 31 ILE MG 1 32 VAL HA . . 4.440 3.736 3.440 3.893 . 0 0 "[ . 1 . 2]" 1
723 1 31 ILE MG 1 32 VAL HB . . 5.120 4.720 4.517 4.877 . 0 0 "[ . 1 . 2]" 1
724 1 31 ILE MG 1 33 ILE HA . . 4.470 4.157 3.924 4.264 . 0 0 "[ . 1 . 2]" 1
725 1 31 ILE MG 1 65 ASN HB2 . . 5.340 4.645 3.430 5.337 . 0 0 "[ . 1 . 2]" 1
726 1 31 ILE MG 1 65 ASN HB3 . . 5.340 4.680 3.212 5.340 . 18 0 "[ . 1 . 2]" 1
727 1 32 VAL H 1 32 VAL HB . . 3.140 2.667 2.615 2.733 . 0 0 "[ . 1 . 2]" 1
728 1 32 VAL H 1 32 VAL MG2 . . 3.280 2.499 2.229 2.798 . 0 0 "[ . 1 . 2]" 1
729 1 32 VAL H 1 33 ILE H . . 5.320 4.467 4.261 4.531 . 0 0 "[ . 1 . 2]" 1
730 1 32 VAL H 1 59 VAL MG1 . . 4.950 4.680 4.464 4.907 . 0 0 "[ . 1 . 2]" 1
731 1 32 VAL HA 1 32 VAL MG1 . . 3.200 2.343 2.255 2.398 . 0 0 "[ . 1 . 2]" 1
732 1 32 VAL HA 1 32 VAL MG2 . . 3.100 2.423 2.329 2.565 . 0 0 "[ . 1 . 2]" 1
733 1 32 VAL HA 1 33 ILE H . . 2.860 2.198 2.141 2.263 . 0 0 "[ . 1 . 2]" 1
734 1 32 VAL HA 1 33 ILE HB . . 4.800 4.677 4.598 4.782 . 0 0 "[ . 1 . 2]" 1
735 1 32 VAL HA 1 33 ILE MD . . 4.900 4.674 4.433 4.867 . 0 0 "[ . 1 . 2]" 1
736 1 32 VAL HA 1 33 ILE HG12 . . 5.420 5.225 5.055 5.365 . 0 0 "[ . 1 . 2]" 1
737 1 32 VAL HA 1 33 ILE HG13 . . 4.190 3.633 3.450 3.781 . 0 0 "[ . 1 . 2]" 1
738 1 32 VAL HA 1 47 LEU H . . 5.500 4.659 4.507 4.834 . 0 0 "[ . 1 . 2]" 1
739 1 32 VAL HA 1 47 LEU HB2 . . 4.370 3.892 3.524 4.072 . 0 0 "[ . 1 . 2]" 1
740 1 32 VAL HA 1 47 LEU HB3 . . 5.310 5.003 4.768 5.144 . 0 0 "[ . 1 . 2]" 1
741 1 32 VAL HA 1 47 LEU MD1 . . 3.700 3.028 2.789 3.199 . 0 0 "[ . 1 . 2]" 1
742 1 32 VAL HB 1 33 ILE H . . 4.520 3.951 3.701 4.252 . 0 0 "[ . 1 . 2]" 1
743 1 32 VAL HB 1 47 LEU MD1 . . 5.470 4.591 4.368 4.789 . 0 0 "[ . 1 . 2]" 1
744 1 32 VAL HB 1 54 PHE QE . . 4.830 3.920 3.746 4.048 . 0 0 "[ . 1 . 2]" 1
745 1 32 VAL HB 1 54 PHE HZ . . 4.350 3.631 3.392 3.780 . 0 0 "[ . 1 . 2]" 1
746 1 32 VAL HB 1 59 VAL MG1 . . 4.200 3.645 3.443 3.868 . 0 0 "[ . 1 . 2]" 1
747 1 32 VAL MG1 1 33 ILE H . . 3.210 2.127 1.888 2.556 . 0 0 "[ . 1 . 2]" 1
748 1 32 VAL MG1 1 33 ILE HA . . 4.690 3.998 3.855 4.140 . 0 0 "[ . 1 . 2]" 1
749 1 32 VAL MG1 1 33 ILE HB . . 4.620 3.804 3.705 3.888 . 0 0 "[ . 1 . 2]" 1
750 1 32 VAL MG1 1 34 ILE H . . 4.760 4.270 3.832 4.571 . 0 0 "[ . 1 . 2]" 1
751 1 32 VAL MG1 1 34 ILE HA . . 4.460 3.882 3.671 4.013 . 0 0 "[ . 1 . 2]" 1
752 1 32 VAL MG1 1 45 GLY H . . 4.800 4.046 3.868 4.274 . 0 0 "[ . 1 . 2]" 1
753 1 32 VAL MG1 1 45 GLY HA2 . . 4.160 4.086 3.949 4.161 0.001 17 0 "[ . 1 . 2]" 1
754 1 32 VAL MG1 1 45 GLY HA3 . . 3.990 2.823 2.651 2.907 . 0 0 "[ . 1 . 2]" 1
755 1 32 VAL MG1 1 46 SER H . . 3.520 3.038 2.805 3.273 . 0 0 "[ . 1 . 2]" 1
756 1 32 VAL MG1 1 46 SER HA . . 5.030 3.538 3.349 3.713 . 0 0 "[ . 1 . 2]" 1
757 1 32 VAL MG1 1 47 LEU H . . 4.990 3.188 2.838 3.391 . 0 0 "[ . 1 . 2]" 1
758 1 32 VAL MG1 1 47 LEU HA . . 5.070 2.475 2.069 2.771 . 0 0 "[ . 1 . 2]" 1
759 1 32 VAL MG1 1 47 LEU HB2 . . 3.810 2.713 2.484 2.857 . 0 0 "[ . 1 . 2]" 1
760 1 32 VAL MG1 1 47 LEU MD1 . . 3.840 3.630 3.349 3.836 . 0 0 "[ . 1 . 2]" 1
761 1 32 VAL MG1 1 47 LEU MD2 . . 4.340 4.196 4.021 4.337 . 0 0 "[ . 1 . 2]" 1
762 1 32 VAL MG1 1 54 PHE QD . . 4.260 3.383 3.236 3.541 . 0 0 "[ . 1 . 2]" 1
763 1 32 VAL MG1 1 54 PHE QE . . 3.610 2.244 2.126 2.414 . 0 0 "[ . 1 . 2]" 1
764 1 32 VAL MG1 1 54 PHE HZ . . 3.800 2.495 2.238 2.721 . 0 0 "[ . 1 . 2]" 1
765 1 32 VAL MG2 1 33 ILE H . . 4.070 4.026 3.908 4.070 0.000 13 0 "[ . 1 . 2]" 1
766 1 32 VAL MG2 1 47 LEU HA . . 4.600 2.439 2.016 2.904 . 0 0 "[ . 1 . 2]" 1
767 1 32 VAL MG2 1 47 LEU HB2 . . 3.370 2.244 1.970 2.451 . 0 0 "[ . 1 . 2]" 1
768 1 32 VAL MG2 1 47 LEU HB3 . . 4.140 3.756 3.502 3.948 . 0 0 "[ . 1 . 2]" 1
769 1 32 VAL MG2 1 47 LEU MD1 . . 2.990 2.080 1.880 2.462 . 0 0 "[ . 1 . 2]" 1
770 1 32 VAL MG2 1 47 LEU MD2 . . 3.370 2.953 2.748 3.127 . 0 0 "[ . 1 . 2]" 1
771 1 32 VAL MG2 1 54 PHE QD . . 4.890 4.122 3.973 4.227 . 0 0 "[ . 1 . 2]" 1
772 1 32 VAL MG2 1 54 PHE QE . . 4.570 3.964 3.768 4.058 . 0 0 "[ . 1 . 2]" 1
773 1 32 VAL MG2 1 59 VAL MG1 . . 3.150 2.867 2.603 3.140 . 0 0 "[ . 1 . 2]" 1
774 1 33 ILE H 1 33 ILE HB . . 3.000 2.511 2.439 2.600 . 0 0 "[ . 1 . 2]" 1
775 1 33 ILE H 1 33 ILE MD . . 3.580 3.388 3.143 3.569 . 0 0 "[ . 1 . 2]" 1
776 1 33 ILE H 1 33 ILE HG12 . . 4.070 3.728 3.536 3.915 . 0 0 "[ . 1 . 2]" 1
777 1 33 ILE H 1 33 ILE HG13 . . 3.580 2.313 2.085 2.565 . 0 0 "[ . 1 . 2]" 1
778 1 33 ILE H 1 33 ILE MG . . 3.850 3.777 3.757 3.795 . 0 0 "[ . 1 . 2]" 1
779 1 33 ILE H 1 34 ILE H . . 4.670 4.292 4.112 4.459 . 0 0 "[ . 1 . 2]" 1
780 1 33 ILE H 1 46 SER H . . 3.570 3.275 3.054 3.529 . 0 0 "[ . 1 . 2]" 1
781 1 33 ILE H 1 46 SER HB2 . . 5.500 5.246 5.059 5.495 . 0 0 "[ . 1 . 2]" 1
782 1 33 ILE H 1 46 SER HB3 . . 4.670 4.075 3.943 4.310 . 0 0 "[ . 1 . 2]" 1
783 1 33 ILE H 1 47 LEU HA . . 4.780 3.245 2.930 3.420 . 0 0 "[ . 1 . 2]" 1
784 1 33 ILE H 1 47 LEU HB2 . . 5.500 5.215 4.759 5.437 . 0 0 "[ . 1 . 2]" 1
785 1 33 ILE HA 1 33 ILE MD . . 4.090 3.884 3.855 3.928 . 0 0 "[ . 1 . 2]" 1
786 1 33 ILE HA 1 33 ILE HG12 . . 3.560 2.720 2.613 2.833 . 0 0 "[ . 1 . 2]" 1
787 1 33 ILE HA 1 33 ILE HG13 . . 3.430 2.811 2.711 2.932 . 0 0 "[ . 1 . 2]" 1
788 1 33 ILE HA 1 33 ILE MG . . 3.060 2.363 2.286 2.434 . 0 0 "[ . 1 . 2]" 1
789 1 33 ILE HA 1 34 ILE H . . 2.920 2.171 2.140 2.232 . 0 0 "[ . 1 . 2]" 1
790 1 33 ILE HA 1 34 ILE HB . . 4.720 4.594 4.548 4.691 . 0 0 "[ . 1 . 2]" 1
791 1 33 ILE HA 1 34 ILE HG12 . . 5.500 5.462 5.317 5.503 0.003 19 0 "[ . 1 . 2]" 1
792 1 33 ILE HB 1 33 ILE MD . . 3.320 2.262 2.128 2.388 . 0 0 "[ . 1 . 2]" 1
793 1 33 ILE HB 1 46 SER H . . 3.510 2.597 2.199 2.821 . 0 0 "[ . 1 . 2]" 1
794 1 33 ILE HB 1 46 SER HA . . 5.380 4.940 4.470 5.205 . 0 0 "[ . 1 . 2]" 1
795 1 33 ILE HB 1 46 SER HB2 . . 4.470 4.166 3.652 4.470 0.000 1 0 "[ . 1 . 2]" 1
796 1 33 ILE HB 1 46 SER HB3 . . 3.750 3.070 2.680 3.558 . 0 0 "[ . 1 . 2]" 1
797 1 33 ILE MD 1 33 ILE MG . . 2.720 2.285 1.958 2.428 . 0 0 "[ . 1 . 2]" 1
798 1 33 ILE MD 1 35 HIS HE1 . . 5.350 5.187 4.446 5.346 . 0 0 "[ . 1 . 2]" 1
799 1 33 ILE MD 1 46 SER H . . 4.550 4.032 3.698 4.433 . 0 0 "[ . 1 . 2]" 1
800 1 33 ILE MD 1 46 SER HB2 . . 4.430 4.210 3.634 4.428 . 0 0 "[ . 1 . 2]" 1
801 1 33 ILE MD 1 46 SER HB3 . . 4.010 2.852 2.211 3.148 . 0 0 "[ . 1 . 2]" 1
802 1 33 ILE HG12 1 33 ILE MG . . 3.350 2.156 2.046 2.345 . 0 0 "[ . 1 . 2]" 1
803 1 33 ILE HG12 1 34 ILE H . . 4.940 4.764 4.586 4.889 . 0 0 "[ . 1 . 2]" 1
804 1 33 ILE HG13 1 33 ILE MG . . 3.530 3.161 3.133 3.191 . 0 0 "[ . 1 . 2]" 1
805 1 33 ILE HG13 1 34 ILE H . . 5.200 4.921 4.842 5.016 . 0 0 "[ . 1 . 2]" 1
806 1 33 ILE HG13 1 46 SER HB3 . . 5.430 4.495 4.111 4.697 . 0 0 "[ . 1 . 2]" 1
807 1 33 ILE MG 1 34 ILE H . . 3.360 2.977 2.644 3.252 . 0 0 "[ . 1 . 2]" 1
808 1 33 ILE MG 1 35 HIS HD2 . . 4.060 2.586 2.011 3.366 . 0 0 "[ . 1 . 2]" 1
809 1 33 ILE MG 1 35 HIS HE1 . . 4.330 4.160 3.852 4.329 . 0 0 "[ . 1 . 2]" 1
810 1 33 ILE MG 1 45 GLY HA2 . . 5.120 4.547 4.166 4.824 . 0 0 "[ . 1 . 2]" 1
811 1 33 ILE MG 1 46 SER H . . 3.970 3.683 3.343 3.958 . 0 0 "[ . 1 . 2]" 1
812 1 33 ILE MG 1 46 SER HB2 . . 5.100 4.889 4.255 5.101 0.001 13 0 "[ . 1 . 2]" 1
813 1 33 ILE MG 1 46 SER HB3 . . 4.800 4.197 3.752 4.702 . 0 0 "[ . 1 . 2]" 1
814 1 34 ILE H 1 34 ILE HB . . 3.140 2.517 2.467 2.589 . 0 0 "[ . 1 . 2]" 1
815 1 34 ILE H 1 34 ILE MD . . 3.930 3.398 3.178 3.567 . 0 0 "[ . 1 . 2]" 1
816 1 34 ILE H 1 34 ILE HG12 . . 3.910 3.540 3.400 3.774 . 0 0 "[ . 1 . 2]" 1
817 1 34 ILE H 1 34 ILE HG13 . . 3.260 2.146 2.007 2.356 . 0 0 "[ . 1 . 2]" 1
818 1 34 ILE H 1 34 ILE MG . . 3.850 3.762 3.756 3.770 . 0 0 "[ . 1 . 2]" 1
819 1 34 ILE H 1 35 HIS H . . 4.920 4.469 4.330 4.558 . 0 0 "[ . 1 . 2]" 1
820 1 34 ILE HA 1 34 ILE MD . . 4.130 3.863 3.823 3.914 . 0 0 "[ . 1 . 2]" 1
821 1 34 ILE HA 1 34 ILE HG12 . . 3.780 2.640 2.516 2.830 . 0 0 "[ . 1 . 2]" 1
822 1 34 ILE HA 1 34 ILE HG13 . . 3.860 2.852 2.742 2.983 . 0 0 "[ . 1 . 2]" 1
823 1 34 ILE HA 1 34 ILE MG . . 3.100 2.436 2.347 2.479 . 0 0 "[ . 1 . 2]" 1
824 1 34 ILE HA 1 35 HIS H . . 3.110 2.147 2.139 2.172 . 0 0 "[ . 1 . 2]" 1
825 1 34 ILE HA 1 35 HIS HB2 . . 4.850 4.348 4.285 4.674 . 0 0 "[ . 1 . 2]" 1
826 1 34 ILE HA 1 36 GLU H . . 4.140 4.060 3.857 4.141 0.001 10 0 "[ . 1 . 2]" 1
827 1 34 ILE HA 1 37 LYS QE . . 5.500 5.197 4.472 5.503 0.003 10 0 "[ . 1 . 2]" 1
828 1 34 ILE HA 1 45 GLY H . . 5.500 5.131 4.866 5.379 . 0 0 "[ . 1 . 2]" 1
829 1 34 ILE HA 1 45 GLY HA2 . . 4.200 3.922 3.654 4.200 . 0 0 "[ . 1 . 2]" 1
830 1 34 ILE HA 1 45 GLY HA3 . . 3.850 2.870 2.606 3.073 . 0 0 "[ . 1 . 2]" 1
831 1 34 ILE HA 1 46 SER H . . 5.080 4.710 4.414 5.015 . 0 0 "[ . 1 . 2]" 1
832 1 34 ILE HA 1 54 PHE QE . . 5.370 4.173 3.931 4.286 . 0 0 "[ . 1 . 2]" 1
833 1 34 ILE HA 1 54 PHE HZ . . 4.560 3.080 2.809 3.349 . 0 0 "[ . 1 . 2]" 1
834 1 34 ILE HB 1 34 ILE MD . . 3.040 2.307 2.153 2.397 . 0 0 "[ . 1 . 2]" 1
835 1 34 ILE HB 1 35 HIS H . . 4.890 4.288 4.196 4.438 . 0 0 "[ . 1 . 2]" 1
836 1 34 ILE MD 1 34 ILE MG . . 2.710 2.225 1.956 2.479 . 0 0 "[ . 1 . 2]" 1
837 1 34 ILE MD 1 37 LYS QE . . 3.920 2.979 2.297 3.713 . 0 0 "[ . 1 . 2]" 1
838 1 34 ILE MD 1 43 TRP HB3 . . 5.220 4.837 4.292 5.215 . 0 0 "[ . 1 . 2]" 1
839 1 34 ILE MD 1 43 TRP HE3 . . 3.630 3.117 2.696 3.438 . 0 0 "[ . 1 . 2]" 1
840 1 34 ILE MD 1 43 TRP HH2 . . 4.450 3.456 3.029 3.731 . 0 0 "[ . 1 . 2]" 1
841 1 34 ILE MD 1 43 TRP HZ2 . . 5.370 4.865 4.381 5.213 . 0 0 "[ . 1 . 2]" 1
842 1 34 ILE MD 1 43 TRP HZ3 . . 3.450 2.105 1.924 2.338 . 0 0 "[ . 1 . 2]" 1
843 1 34 ILE MD 1 54 PHE HZ . . 4.970 4.677 4.380 4.866 . 0 0 "[ . 1 . 2]" 1
844 1 34 ILE MD 1 61 GLU H . . 4.870 4.575 4.314 4.838 . 0 0 "[ . 1 . 2]" 1
845 1 34 ILE MD 1 61 GLU HA . . 4.130 2.919 2.763 3.047 . 0 0 "[ . 1 . 2]" 1
846 1 34 ILE MD 1 61 GLU HB2 . . 4.680 3.735 3.394 4.029 . 0 0 "[ . 1 . 2]" 1
847 1 34 ILE MD 1 61 GLU HB3 . . 4.990 4.591 4.391 4.818 . 0 0 "[ . 1 . 2]" 1
848 1 34 ILE MD 1 61 GLU HG2 . . 3.780 3.238 3.061 3.418 . 0 0 "[ . 1 . 2]" 1
849 1 34 ILE MD 1 61 GLU HG3 . . 3.570 2.333 2.133 2.531 . 0 0 "[ . 1 . 2]" 1
850 1 34 ILE MD 1 62 LEU H . . 4.800 3.761 3.563 4.052 . 0 0 "[ . 1 . 2]" 1
851 1 34 ILE HG12 1 34 ILE MG . . 3.140 2.197 2.057 2.333 . 0 0 "[ . 1 . 2]" 1
852 1 34 ILE HG12 1 35 HIS H . . 5.010 4.512 4.279 4.741 . 0 0 "[ . 1 . 2]" 1
853 1 34 ILE HG12 1 43 TRP HB3 . . 5.120 3.882 3.691 4.103 . 0 0 "[ . 1 . 2]" 1
854 1 34 ILE HG12 1 43 TRP HE3 . . 3.650 2.523 2.232 2.754 . 0 0 "[ . 1 . 2]" 1
855 1 34 ILE HG12 1 43 TRP HZ3 . . 3.910 3.264 2.984 3.619 . 0 0 "[ . 1 . 2]" 1
856 1 34 ILE HG12 1 54 PHE HZ . . 3.780 3.242 2.910 3.482 . 0 0 "[ . 1 . 2]" 1
857 1 34 ILE HG12 1 61 GLU HA . . 5.500 5.409 5.260 5.500 . 0 0 "[ . 1 . 2]" 1
858 1 34 ILE HG12 1 61 GLU HG3 . . 5.080 4.850 4.603 5.003 . 0 0 "[ . 1 . 2]" 1
859 1 34 ILE HG13 1 43 TRP HE3 . . 4.420 3.975 3.792 4.207 . 0 0 "[ . 1 . 2]" 1
860 1 34 ILE HG13 1 54 PHE HZ . . 4.080 4.015 3.893 4.082 0.002 20 0 "[ . 1 . 2]" 1
861 1 34 ILE MG 1 35 HIS H . . 3.510 2.696 2.304 3.177 . 0 0 "[ . 1 . 2]" 1
862 1 34 ILE MG 1 35 HIS HB2 . . 5.500 4.554 4.346 4.781 . 0 0 "[ . 1 . 2]" 1
863 1 34 ILE MG 1 36 GLU H . . 3.420 3.181 3.006 3.408 . 0 0 "[ . 1 . 2]" 1
864 1 34 ILE MG 1 36 GLU HA . . 3.970 3.765 3.625 3.942 . 0 0 "[ . 1 . 2]" 1
865 1 34 ILE MG 1 37 LYS HA . . 4.860 4.616 4.381 4.859 . 0 0 "[ . 1 . 2]" 1
866 1 34 ILE MG 1 37 LYS QE . . 3.510 1.965 1.693 2.184 . 0 0 "[ . 1 . 2]" 1
867 1 34 ILE MG 1 37 LYS QG . . 4.040 2.194 1.917 2.528 . 0 0 "[ . 1 . 2]" 1
868 1 34 ILE MG 1 43 TRP HA . . 5.010 4.832 4.594 5.010 0.000 5 0 "[ . 1 . 2]" 1
869 1 34 ILE MG 1 43 TRP HB3 . . 4.410 3.585 3.141 3.849 . 0 0 "[ . 1 . 2]" 1
870 1 34 ILE MG 1 43 TRP HE3 . . 3.710 3.503 2.897 3.703 . 0 0 "[ . 1 . 2]" 1
871 1 34 ILE MG 1 43 TRP HH2 . . 5.410 5.089 4.839 5.390 . 0 0 "[ . 1 . 2]" 1
872 1 34 ILE MG 1 43 TRP HZ3 . . 4.560 4.162 3.782 4.365 . 0 0 "[ . 1 . 2]" 1
873 1 34 ILE MG 1 44 PHE H . . 4.140 3.989 3.880 4.140 0.000 10 0 "[ . 1 . 2]" 1
874 1 34 ILE MG 1 45 GLY HA3 . . 5.350 4.585 4.336 4.790 . 0 0 "[ . 1 . 2]" 1
875 1 34 ILE MG 1 54 PHE HZ . . 4.470 4.048 3.838 4.207 . 0 0 "[ . 1 . 2]" 1
876 1 35 HIS H 1 35 HIS HB2 . . 3.630 2.338 2.209 2.662 . 0 0 "[ . 1 . 2]" 1
877 1 35 HIS H 1 35 HIS HB3 . . 4.000 3.569 3.491 3.760 . 0 0 "[ . 1 . 2]" 1
878 1 35 HIS H 1 36 GLU H . . 3.010 2.266 2.148 2.454 . 0 0 "[ . 1 . 2]" 1
879 1 35 HIS H 1 44 PHE H . . 4.740 4.170 3.905 4.457 . 0 0 "[ . 1 . 2]" 1
880 1 35 HIS H 1 45 GLY H . . 4.990 4.494 4.312 4.714 . 0 0 "[ . 1 . 2]" 1
881 1 35 HIS H 1 45 GLY HA2 . . 3.570 2.870 2.475 3.243 . 0 0 "[ . 1 . 2]" 1
882 1 35 HIS H 1 45 GLY HA3 . . 3.830 2.865 2.500 3.236 . 0 0 "[ . 1 . 2]" 1
883 1 35 HIS H 1 46 SER H . . 4.930 4.612 4.133 4.931 0.001 11 0 "[ . 1 . 2]" 1
884 1 35 HIS H 1 54 PHE QE . . 5.280 4.698 4.334 5.009 . 0 0 "[ . 1 . 2]" 1
885 1 35 HIS HB2 1 36 GLU H . . 3.190 2.602 2.372 2.726 . 0 0 "[ . 1 . 2]" 1
886 1 35 HIS HB2 1 36 GLU QG . . 4.310 3.939 3.332 4.309 . 0 0 "[ . 1 . 2]" 1
887 1 35 HIS HB2 1 44 PHE QD . . 3.720 2.463 2.010 2.647 . 0 0 "[ . 1 . 2]" 1
888 1 35 HIS HB2 1 44 PHE QE . . 3.870 3.696 3.330 3.875 0.005 19 0 "[ . 1 . 2]" 1
889 1 35 HIS HB2 1 45 GLY H . . 4.840 4.267 3.931 4.738 . 0 0 "[ . 1 . 2]" 1
890 1 35 HIS HB2 1 45 GLY HA2 . . 4.740 2.321 2.018 3.061 . 0 0 "[ . 1 . 2]" 1
891 1 35 HIS HB2 1 45 GLY HA3 . . 5.120 3.599 3.243 4.288 . 0 0 "[ . 1 . 2]" 1
892 1 35 HIS HB3 1 36 GLU H . . 3.700 3.181 3.023 3.583 . 0 0 "[ . 1 . 2]" 1
893 1 35 HIS HB3 1 36 GLU QB . . 4.790 3.845 3.590 4.375 . 0 0 "[ . 1 . 2]" 1
894 1 35 HIS HB3 1 36 GLU HG2 . . 5.210 3.891 2.264 4.955 . 0 0 "[ . 1 . 2]" 1
895 1 35 HIS HB3 1 36 GLU QG . . 4.530 2.811 2.247 4.078 . 0 0 "[ . 1 . 2]" 1
896 1 35 HIS HB3 1 36 GLU HG3 . . 5.210 3.324 2.430 4.609 . 0 0 "[ . 1 . 2]" 1
897 1 35 HIS HB3 1 44 PHE QD . . 4.160 2.724 2.446 3.298 . 0 0 "[ . 1 . 2]" 1
898 1 35 HIS HB3 1 44 PHE QE . . 4.590 3.541 3.166 4.085 . 0 0 "[ . 1 . 2]" 1
899 1 35 HIS HB3 1 45 GLY HA2 . . 5.080 3.954 3.654 4.448 . 0 0 "[ . 1 . 2]" 1
900 1 35 HIS HD2 1 45 GLY HA2 . . 4.560 2.653 2.000 3.939 . 0 0 "[ . 1 . 2]" 1
901 1 35 HIS HD2 1 45 GLY HA3 . . 4.740 3.411 2.768 4.597 . 0 0 "[ . 1 . 2]" 1
902 1 35 HIS HD2 1 46 SER H . . 4.310 2.773 1.900 4.127 . 0 0 "[ . 1 . 2]" 1
903 1 35 HIS HE1 1 46 SER HB2 . . 5.500 4.938 2.023 5.498 . 0 0 "[ . 1 . 2]" 1
904 1 35 HIS HE1 1 51 LYS QD . . 4.430 3.515 2.093 4.433 0.003 11 0 "[ . 1 . 2]" 1
905 1 35 HIS HE1 1 51 LYS QE . . 4.610 3.463 2.517 4.492 . 0 0 "[ . 1 . 2]" 1
906 1 36 GLU H 1 36 GLU QB . . 3.470 2.806 2.677 2.952 . 0 0 "[ . 1 . 2]" 1
907 1 36 GLU H 1 36 GLU HG2 . . 4.950 4.049 2.943 4.720 . 0 0 "[ . 1 . 2]" 1
908 1 36 GLU H 1 36 GLU QG . . 4.320 3.307 2.895 3.797 . 0 0 "[ . 1 . 2]" 1
909 1 36 GLU H 1 36 GLU HG3 . . 4.950 3.811 3.163 4.840 . 0 0 "[ . 1 . 2]" 1
910 1 36 GLU H 1 37 LYS HA . . 5.330 4.727 4.673 4.770 . 0 0 "[ . 1 . 2]" 1
911 1 36 GLU H 1 43 TRP HA . . 5.500 5.314 5.074 5.488 . 0 0 "[ . 1 . 2]" 1
912 1 36 GLU H 1 44 PHE H . . 3.600 3.225 3.036 3.365 . 0 0 "[ . 1 . 2]" 1
913 1 36 GLU H 1 44 PHE HA . . 5.500 4.684 4.505 4.819 . 0 0 "[ . 1 . 2]" 1
914 1 36 GLU H 1 44 PHE HB2 . . 4.540 4.377 4.113 4.545 0.005 16 0 "[ . 1 . 2]" 1
915 1 36 GLU H 1 44 PHE QB . . 3.680 2.667 2.379 2.861 . 0 0 "[ . 1 . 2]" 1
916 1 36 GLU H 1 44 PHE HB3 . . 4.540 2.691 2.395 2.892 . 0 0 "[ . 1 . 2]" 1
917 1 36 GLU H 1 44 PHE QD . . 4.140 3.058 2.725 3.317 . 0 0 "[ . 1 . 2]" 1
918 1 36 GLU H 1 45 GLY HA3 . . 5.500 4.570 4.330 4.935 . 0 0 "[ . 1 . 2]" 1
919 1 36 GLU HA 1 36 GLU HG2 . . 4.000 2.770 2.436 3.574 . 0 0 "[ . 1 . 2]" 1
920 1 36 GLU HA 1 36 GLU QG . . 3.500 2.562 2.307 2.999 . 0 0 "[ . 1 . 2]" 1
921 1 36 GLU HA 1 36 GLU HG3 . . 4.000 3.196 2.356 3.874 . 0 0 "[ . 1 . 2]" 1
922 1 36 GLU HA 1 37 LYS H . . 3.340 2.209 2.168 2.313 . 0 0 "[ . 1 . 2]" 1
923 1 36 GLU HA 1 37 LYS HB2 . . 4.910 4.692 4.504 4.897 . 0 0 "[ . 1 . 2]" 1
924 1 36 GLU HA 1 37 LYS QG . . 5.310 3.369 3.090 3.613 . 0 0 "[ . 1 . 2]" 1
925 1 36 GLU HA 1 38 LYS QD . . 4.330 3.918 3.353 4.269 . 0 0 "[ . 1 . 2]" 1
926 1 36 GLU HA 1 44 PHE H . . 5.190 4.934 4.826 5.037 . 0 0 "[ . 1 . 2]" 1
927 1 36 GLU QB 1 37 LYS H . . 4.260 2.928 2.596 3.099 . 0 0 "[ . 1 . 2]" 1
928 1 36 GLU QB 1 38 LYS HE2 . . 4.310 3.321 2.123 4.148 . 0 0 "[ . 1 . 2]" 1
929 1 36 GLU QB 1 38 LYS QE . . 3.750 2.573 1.977 3.336 . 0 0 "[ . 1 . 2]" 1
930 1 36 GLU QB 1 38 LYS HE3 . . 4.310 3.069 1.990 4.287 . 0 0 "[ . 1 . 2]" 1
931 1 36 GLU QB 1 38 LYS HG2 . . 4.790 4.532 4.229 4.791 0.001 8 0 "[ . 1 . 2]" 1
932 1 36 GLU QB 1 38 LYS HG3 . . 4.790 4.293 3.513 4.762 . 0 0 "[ . 1 . 2]" 1
933 1 36 GLU QB 1 44 PHE H . . 4.450 4.165 4.015 4.329 . 0 0 "[ . 1 . 2]" 1
934 1 36 GLU QB 1 44 PHE HB2 . . 3.870 3.704 3.384 3.862 . 0 0 "[ . 1 . 2]" 1
935 1 36 GLU QB 1 44 PHE QB . . 3.390 2.418 2.193 2.707 . 0 0 "[ . 1 . 2]" 1
936 1 36 GLU QB 1 44 PHE HB3 . . 3.870 2.451 2.222 2.764 . 0 0 "[ . 1 . 2]" 1
937 1 36 GLU QB 1 44 PHE QD . . 4.270 2.788 2.399 3.019 . 0 0 "[ . 1 . 2]" 1
938 1 36 GLU QB 1 44 PHE QE . . 4.890 4.656 4.254 4.874 . 0 0 "[ . 1 . 2]" 1
939 1 36 GLU QG 1 37 LYS H . . 4.880 4.142 3.683 4.656 . 0 0 "[ . 1 . 2]" 1
940 1 36 GLU QG 1 38 LYS QE . . 4.030 3.468 2.601 4.031 0.001 2 0 "[ . 1 . 2]" 1
941 1 36 GLU QG 1 44 PHE QD . . 4.480 3.458 2.653 4.344 . 0 0 "[ . 1 . 2]" 1
942 1 36 GLU HG2 1 44 PHE QD . . 5.100 4.476 2.772 5.081 . 0 0 "[ . 1 . 2]" 1
943 1 36 GLU HG3 1 44 PHE QD . . 5.100 3.767 3.102 5.004 . 0 0 "[ . 1 . 2]" 1
944 1 37 LYS H 1 37 LYS HB2 . . 4.030 2.836 2.736 2.994 . 0 0 "[ . 1 . 2]" 1
945 1 37 LYS H 1 37 LYS QG . . 4.400 2.724 2.447 3.036 . 0 0 "[ . 1 . 2]" 1
946 1 37 LYS HA 1 37 LYS HD2 . . 5.500 4.447 4.267 4.799 . 0 0 "[ . 1 . 2]" 1
947 1 37 LYS HA 1 37 LYS QD . . 4.690 4.090 3.968 4.217 . 0 0 "[ . 1 . 2]" 1
948 1 37 LYS HA 1 37 LYS HD3 . . 5.500 4.806 4.383 4.917 . 0 0 "[ . 1 . 2]" 1
949 1 37 LYS HA 1 37 LYS QE . . 5.060 4.741 4.475 5.051 . 0 0 "[ . 1 . 2]" 1
950 1 37 LYS HA 1 37 LYS HG2 . . 4.130 2.730 2.611 2.884 . 0 0 "[ . 1 . 2]" 1
951 1 37 LYS HA 1 37 LYS HG3 . . 4.130 3.191 2.746 3.431 . 0 0 "[ . 1 . 2]" 1
952 1 37 LYS HA 1 38 LYS H . . 3.480 2.669 2.318 3.121 . 0 0 "[ . 1 . 2]" 1
953 1 37 LYS HA 1 38 LYS QB . . 5.470 4.776 4.389 5.113 . 0 0 "[ . 1 . 2]" 1
954 1 37 LYS HA 1 43 TRP HA . . 3.610 2.567 2.412 2.744 . 0 0 "[ . 1 . 2]" 1
955 1 37 LYS HA 1 43 TRP HB2 . . 5.500 5.337 5.052 5.491 . 0 0 "[ . 1 . 2]" 1
956 1 37 LYS HA 1 43 TRP HB3 . . 5.260 4.338 3.899 4.631 . 0 0 "[ . 1 . 2]" 1
957 1 37 LYS HA 1 43 TRP HD1 . . 3.730 3.542 3.289 3.727 . 0 0 "[ . 1 . 2]" 1
958 1 37 LYS HA 1 43 TRP HE1 . . 5.280 4.976 4.582 5.282 0.002 11 0 "[ . 1 . 2]" 1
959 1 37 LYS HA 1 44 PHE H . . 3.960 3.153 2.982 3.476 . 0 0 "[ . 1 . 2]" 1
960 1 37 LYS HA 1 44 PHE QB . . 4.560 4.126 3.907 4.560 . 17 0 "[ . 1 . 2]" 1
961 1 37 LYS HB2 1 37 LYS HD2 . . 3.850 2.678 2.438 2.825 . 0 0 "[ . 1 . 2]" 1
962 1 37 LYS HB2 1 37 LYS HD3 . . 3.850 3.649 3.060 3.797 . 0 0 "[ . 1 . 2]" 1
963 1 37 LYS HB2 1 37 LYS QE . . 4.880 2.700 1.990 4.157 . 0 0 "[ . 1 . 2]" 1
964 1 37 LYS HB2 1 38 LYS H . . 4.690 4.245 3.811 4.440 . 0 0 "[ . 1 . 2]" 1
965 1 37 LYS HB2 1 43 TRP HD1 . . 5.000 4.691 4.316 5.001 0.001 17 0 "[ . 1 . 2]" 1
966 1 37 LYS HB2 1 43 TRP HE1 . . 4.480 4.441 4.321 4.483 0.003 16 0 "[ . 1 . 2]" 1
967 1 37 LYS HB3 1 37 LYS QD . . 3.640 2.390 2.237 2.710 . 0 0 "[ . 1 . 2]" 1
968 1 37 LYS HB3 1 37 LYS QE . . 5.090 3.611 3.179 4.029 . 0 0 "[ . 1 . 2]" 1
969 1 37 LYS HB3 1 38 LYS H . . 5.020 4.388 4.150 4.522 . 0 0 "[ . 1 . 2]" 1
970 1 37 LYS HB3 1 43 TRP HB3 . . 5.500 4.558 4.132 5.048 . 0 0 "[ . 1 . 2]" 1
971 1 37 LYS HB3 1 43 TRP HD1 . . 4.380 2.949 2.570 3.281 . 0 0 "[ . 1 . 2]" 1
972 1 37 LYS HB3 1 43 TRP HE1 . . 3.720 3.035 2.858 3.228 . 0 0 "[ . 1 . 2]" 1
973 1 37 LYS HB3 1 56 ALA MB . . 5.230 4.862 4.645 5.060 . 0 0 "[ . 1 . 2]" 1
974 1 37 LYS QD 1 43 TRP HE1 . . 3.810 3.159 2.705 3.494 . 0 0 "[ . 1 . 2]" 1
975 1 37 LYS QD 1 43 TRP HE3 . . 5.200 3.355 2.708 4.475 . 0 0 "[ . 1 . 2]" 1
976 1 37 LYS QD 1 43 TRP HH2 . . 4.790 3.715 3.414 4.362 . 0 0 "[ . 1 . 2]" 1
977 1 37 LYS QD 1 43 TRP HZ2 . . 3.800 3.104 2.852 3.361 . 0 0 "[ . 1 . 2]" 1
978 1 37 LYS HD2 1 43 TRP HZ2 . . 4.370 3.311 2.908 4.371 0.001 19 0 "[ . 1 . 2]" 1
979 1 37 LYS HD3 1 43 TRP HZ2 . . 4.370 4.092 3.184 4.367 . 0 0 "[ . 1 . 2]" 1
980 1 37 LYS QE 1 37 LYS QG . . 3.400 2.201 2.057 2.878 . 0 0 "[ . 1 . 2]" 1
981 1 37 LYS QE 1 43 TRP HE1 . . 5.500 5.062 4.465 5.340 . 0 0 "[ . 1 . 2]" 1
982 1 37 LYS QE 1 43 TRP HZ2 . . 5.080 4.562 3.537 5.053 . 0 0 "[ . 1 . 2]" 1
983 1 37 LYS QG 1 43 TRP HB2 . . 5.270 4.125 3.616 4.630 . 0 0 "[ . 1 . 2]" 1
984 1 37 LYS QG 1 43 TRP HB3 . . 4.570 2.779 2.150 3.274 . 0 0 "[ . 1 . 2]" 1
985 1 37 LYS QG 1 43 TRP HD1 . . 4.640 3.582 2.913 3.870 . 0 0 "[ . 1 . 2]" 1
986 1 37 LYS QG 1 43 TRP HE1 . . 4.340 4.193 3.442 4.342 0.002 16 0 "[ . 1 . 2]" 1
987 1 37 LYS QG 1 43 TRP HZ2 . . 5.340 5.007 4.540 5.239 . 0 0 "[ . 1 . 2]" 1
988 1 37 LYS HG2 1 43 TRP HD1 . . 5.500 3.655 2.951 3.972 . 0 0 "[ . 1 . 2]" 1
989 1 37 LYS HG3 1 43 TRP HD1 . . 5.500 5.161 4.484 5.402 . 0 0 "[ . 1 . 2]" 1
990 1 38 LYS H 1 38 LYS QB . . 3.660 2.416 2.288 2.828 . 0 0 "[ . 1 . 2]" 1
991 1 38 LYS H 1 38 LYS QD . . 4.690 1.968 1.860 2.156 . 0 0 "[ . 1 . 2]" 1
992 1 38 LYS H 1 38 LYS HG2 . . 4.260 3.611 2.511 4.123 . 0 0 "[ . 1 . 2]" 1
993 1 38 LYS H 1 38 LYS QG . . 3.740 3.079 2.474 3.309 . 0 0 "[ . 1 . 2]" 1
994 1 38 LYS H 1 38 LYS HG3 . . 4.260 3.571 2.956 4.094 . 0 0 "[ . 1 . 2]" 1
995 1 38 LYS H 1 44 PHE H . . 5.500 5.044 4.646 5.502 0.002 10 0 "[ . 1 . 2]" 1
996 1 38 LYS HA 1 38 LYS QD . . 4.150 3.512 2.883 3.777 . 0 0 "[ . 1 . 2]" 1
997 1 38 LYS HA 1 38 LYS HG2 . . 4.190 3.575 3.489 3.625 . 0 0 "[ . 1 . 2]" 1
998 1 38 LYS HA 1 38 LYS QG . . 3.440 2.811 2.181 3.426 . 0 0 "[ . 1 . 2]" 1
999 1 38 LYS HA 1 38 LYS HG3 . . 4.190 3.186 2.203 4.218 0.028 17 0 "[ . 1 . 2]" 1
1000 1 38 LYS QB 1 38 LYS QD . . 3.120 2.132 2.034 2.291 . 0 0 "[ . 1 . 2]" 1
1001 1 38 LYS QB 1 38 LYS QE . . 4.320 3.172 2.327 3.732 . 0 0 "[ . 1 . 2]" 1
1002 1 38 LYS QB 1 39 GLU H . . 4.190 2.875 2.065 4.052 . 0 0 "[ . 1 . 2]" 1
1003 1 38 LYS QD 1 44 PHE HB2 . . 4.980 4.579 4.208 4.959 . 0 0 "[ . 1 . 2]" 1
1004 1 38 LYS QD 1 44 PHE QB . . 4.390 3.954 3.767 4.232 . 0 0 "[ . 1 . 2]" 1
1005 1 38 LYS QD 1 44 PHE HB3 . . 4.980 4.328 4.116 4.591 . 0 0 "[ . 1 . 2]" 1
1006 1 38 LYS QD 1 53 HIS HD2 . . 5.500 5.458 5.271 5.503 0.003 16 0 "[ . 1 . 2]" 1
1007 1 38 LYS QE 1 38 LYS QG . . 3.210 2.234 2.044 2.583 . 0 0 "[ . 1 . 2]" 1
1008 1 38 LYS HE2 1 38 LYS HG2 . . 4.190 3.133 2.161 3.895 . 0 0 "[ . 1 . 2]" 1
1009 1 38 LYS HE2 1 38 LYS HG3 . . 4.190 3.143 2.113 4.193 0.003 12 0 "[ . 1 . 2]" 1
1010 1 38 LYS HE3 1 38 LYS HG2 . . 4.190 3.154 2.101 4.216 0.026 17 0 "[ . 1 . 2]" 1
1011 1 38 LYS HE3 1 38 LYS HG3 . . 4.190 3.332 2.637 3.856 . 0 0 "[ . 1 . 2]" 1
1012 1 39 GLU H 1 39 GLU QG . . 4.530 3.902 2.655 4.324 . 0 0 "[ . 1 . 2]" 1
1013 1 39 GLU HA 1 39 GLU QG . . 3.460 2.575 2.156 3.036 . 0 0 "[ . 1 . 2]" 1
1014 1 39 GLU HA 1 40 GLU H . . 3.160 2.416 2.262 2.608 . 0 0 "[ . 1 . 2]" 1
1015 1 39 GLU QB 1 42 TRP H . . 4.700 2.940 2.068 3.460 . 0 0 "[ . 1 . 2]" 1
1016 1 39 GLU QB 1 42 TRP HB2 . . 4.160 1.994 1.873 2.116 . 0 0 "[ . 1 . 2]" 1
1017 1 39 GLU QB 1 42 TRP HB3 . . 4.460 3.457 3.299 3.596 . 0 0 "[ . 1 . 2]" 1
1018 1 39 GLU QB 1 42 TRP HD1 . . 3.890 3.139 1.989 3.787 . 0 0 "[ . 1 . 2]" 1
1019 1 39 GLU HB2 1 40 GLU H . . 4.370 3.895 3.537 4.177 . 0 0 "[ . 1 . 2]" 1
1020 1 39 GLU HB2 1 42 TRP H . . 5.380 4.430 2.703 4.973 . 0 0 "[ . 1 . 2]" 1
1021 1 39 GLU HB3 1 40 GLU H . . 4.370 3.119 2.040 3.699 . 0 0 "[ . 1 . 2]" 1
1022 1 39 GLU HB3 1 42 TRP H . . 5.380 2.993 2.147 3.531 . 0 0 "[ . 1 . 2]" 1
1023 1 39 GLU QG 1 40 GLU H . . 4.340 2.369 1.769 3.865 . 0 0 "[ . 1 . 2]" 1
1024 1 39 GLU QG 1 42 TRP H . . 4.820 3.313 2.535 4.250 . 0 0 "[ . 1 . 2]" 1
1025 1 39 GLU QG 1 42 TRP HB2 . . 4.550 2.326 1.970 3.480 . 0 0 "[ . 1 . 2]" 1
1026 1 39 GLU QG 1 42 TRP HB3 . . 5.160 3.662 3.242 4.831 . 0 0 "[ . 1 . 2]" 1
1027 1 39 GLU QG 1 42 TRP HD1 . . 3.990 2.357 1.894 2.986 . 0 0 "[ . 1 . 2]" 1
1028 1 39 GLU QG 1 42 TRP HE1 . . 4.620 4.214 3.543 4.620 . 0 0 "[ . 1 . 2]" 1
1029 1 39 GLU HG2 1 42 TRP HD1 . . 4.630 2.907 2.051 4.332 . 0 0 "[ . 1 . 2]" 1
1030 1 39 GLU HG3 1 42 TRP HD1 . . 4.630 2.936 2.017 3.891 . 0 0 "[ . 1 . 2]" 1
1031 1 40 GLU H 1 40 GLU QB . . 3.180 2.519 2.240 2.733 . 0 0 "[ . 1 . 2]" 1
1032 1 40 GLU H 1 40 GLU QG . . 4.110 2.648 1.940 4.101 . 0 0 "[ . 1 . 2]" 1
1033 1 40 GLU H 1 41 GLY H . . 4.660 3.894 2.420 4.396 . 0 0 "[ . 1 . 2]" 1
1034 1 40 GLU HA 1 40 GLU QG . . 3.390 2.590 2.326 2.974 . 0 0 "[ . 1 . 2]" 1
1035 1 40 GLU HA 1 43 TRP HE1 . . 5.500 5.437 5.188 5.507 0.007 16 0 "[ . 1 . 2]" 1
1036 1 40 GLU QB 1 42 TRP H . . 5.340 4.212 3.926 4.590 . 0 0 "[ . 1 . 2]" 1
1037 1 40 GLU QB 1 42 TRP HD1 . . 3.890 3.815 3.350 3.900 0.010 16 0 "[ . 1 . 2]" 1
1038 1 40 GLU QB 1 42 TRP HE1 . . 5.200 4.838 4.254 5.202 0.002 15 0 "[ . 1 . 2]" 1
1039 1 40 GLU QG 1 41 GLY H . . 4.640 4.109 2.920 4.644 0.004 16 0 "[ . 1 . 2]" 1
1040 1 40 GLU QG 1 42 TRP H . . 5.500 5.173 4.675 5.502 0.002 16 0 "[ . 1 . 2]" 1
1041 1 40 GLU QG 1 42 TRP HD1 . . 5.210 4.921 4.423 5.210 . 0 0 "[ . 1 . 2]" 1
1042 1 41 GLY H 1 42 TRP H . . 4.220 2.880 1.807 3.425 . 0 0 "[ . 1 . 2]" 1
1043 1 41 GLY H 1 42 TRP HB2 . . 5.320 5.063 3.978 5.325 0.005 16 0 "[ . 1 . 2]" 1
1044 1 41 GLY H 1 42 TRP HD1 . . 5.500 4.283 2.742 5.040 . 0 0 "[ . 1 . 2]" 1
1045 1 41 GLY H 1 43 TRP HE1 . . 5.500 4.114 3.503 5.500 0.000 17 0 "[ . 1 . 2]" 1
1046 1 41 GLY QA 1 42 TRP HD1 . . 4.760 3.982 3.686 4.495 . 0 0 "[ . 1 . 2]" 1
1047 1 41 GLY QA 1 43 TRP HE1 . . 4.940 3.540 2.877 4.001 . 0 0 "[ . 1 . 2]" 1
1048 1 41 GLY QA 1 56 ALA MB . . 3.860 2.196 1.957 2.507 . 0 0 "[ . 1 . 2]" 1
1049 1 41 GLY HA2 1 42 TRP HD1 . . 5.500 5.301 5.093 5.494 . 0 0 "[ . 1 . 2]" 1
1050 1 41 GLY HA3 1 42 TRP HD1 . . 5.500 4.125 3.783 4.806 . 0 0 "[ . 1 . 2]" 1
1051 1 42 TRP H 1 42 TRP HB2 . . 4.190 2.582 2.460 2.745 . 0 0 "[ . 1 . 2]" 1
1052 1 42 TRP H 1 42 TRP HD1 . . 4.020 2.203 2.012 2.752 . 0 0 "[ . 1 . 2]" 1
1053 1 42 TRP H 1 43 TRP HD1 . . 4.290 4.095 3.515 4.291 0.001 6 0 "[ . 1 . 2]" 1
1054 1 42 TRP HB2 1 42 TRP HD1 . . 3.710 2.723 2.634 2.775 . 0 0 "[ . 1 . 2]" 1
1055 1 42 TRP HB2 1 42 TRP HE1 . . 5.040 4.810 4.779 4.827 . 0 0 "[ . 1 . 2]" 1
1056 1 42 TRP HB2 1 43 TRP H . . 5.500 4.378 4.312 4.438 . 0 0 "[ . 1 . 2]" 1
1057 1 42 TRP HB2 1 53 HIS HD2 . . 5.000 4.497 4.001 4.834 . 0 0 "[ . 1 . 2]" 1
1058 1 42 TRP HB3 1 42 TRP HD1 . . 3.890 3.846 3.791 3.869 . 0 0 "[ . 1 . 2]" 1
1059 1 42 TRP HB3 1 42 TRP HE3 . . 3.670 2.507 2.461 2.622 . 0 0 "[ . 1 . 2]" 1
1060 1 42 TRP HB3 1 43 TRP H . . 4.100 3.782 3.562 3.911 . 0 0 "[ . 1 . 2]" 1
1061 1 42 TRP HB3 1 53 HIS HD2 . . 5.060 3.826 3.379 4.341 . 0 0 "[ . 1 . 2]" 1
1062 1 42 TRP HE3 1 43 TRP H . . 5.040 4.824 4.615 5.008 . 0 0 "[ . 1 . 2]" 1
1063 1 42 TRP HE3 1 53 HIS HA . . 5.500 4.903 4.479 5.412 . 0 0 "[ . 1 . 2]" 1
1064 1 42 TRP HE3 1 53 HIS HB2 . . 4.590 3.952 3.468 4.526 . 0 0 "[ . 1 . 2]" 1
1065 1 42 TRP HE3 1 53 HIS QB . . 4.030 2.844 2.385 3.500 . 0 0 "[ . 1 . 2]" 1
1066 1 42 TRP HE3 1 53 HIS HB3 . . 4.590 2.922 2.417 3.656 . 0 0 "[ . 1 . 2]" 1
1067 1 42 TRP HE3 1 54 PHE H . . 5.060 4.729 4.169 5.059 . 0 0 "[ . 1 . 2]" 1
1068 1 42 TRP HE3 1 55 PRO HA . . 4.790 4.385 3.673 4.791 0.001 10 0 "[ . 1 . 2]" 1
1069 1 43 TRP H 1 43 TRP HB2 . . 4.010 2.353 2.296 2.409 . 0 0 "[ . 1 . 2]" 1
1070 1 43 TRP H 1 43 TRP HB3 . . 3.680 3.602 3.565 3.640 . 0 0 "[ . 1 . 2]" 1
1071 1 43 TRP H 1 43 TRP HD1 . . 4.400 3.079 2.965 3.219 . 0 0 "[ . 1 . 2]" 1
1072 1 43 TRP H 1 43 TRP HE1 . . 5.500 5.289 5.158 5.463 . 0 0 "[ . 1 . 2]" 1
1073 1 43 TRP H 1 43 TRP HE3 . . 5.500 5.380 5.220 5.501 0.001 18 0 "[ . 1 . 2]" 1
1074 1 43 TRP H 1 44 PHE H . . 4.600 4.570 4.544 4.580 . 0 0 "[ . 1 . 2]" 1
1075 1 43 TRP H 1 54 PHE H . . 3.970 3.529 3.025 3.969 . 0 0 "[ . 1 . 2]" 1
1076 1 43 TRP H 1 55 PRO HA . . 4.310 3.519 3.260 3.797 . 0 0 "[ . 1 . 2]" 1
1077 1 43 TRP H 1 56 ALA H . . 4.630 3.652 3.341 4.069 . 0 0 "[ . 1 . 2]" 1
1078 1 43 TRP HA 1 43 TRP HD1 . . 3.390 2.356 2.261 2.455 . 0 0 "[ . 1 . 2]" 1
1079 1 43 TRP HA 1 43 TRP HE1 . . 4.850 4.654 4.583 4.689 . 0 0 "[ . 1 . 2]" 1
1080 1 43 TRP HA 1 43 TRP HE3 . . 5.300 5.022 4.938 5.107 . 0 0 "[ . 1 . 2]" 1
1081 1 43 TRP HA 1 44 PHE H . . 2.950 2.317 2.229 2.452 . 0 0 "[ . 1 . 2]" 1
1082 1 43 TRP HA 1 44 PHE QB . . 4.580 3.975 3.932 4.000 . 0 0 "[ . 1 . 2]" 1
1083 1 43 TRP HA 1 54 PHE HZ . . 5.500 5.374 5.118 5.501 0.001 6 0 "[ . 1 . 2]" 1
1084 1 43 TRP HB2 1 43 TRP HE3 . . 3.720 3.138 2.999 3.262 . 0 0 "[ . 1 . 2]" 1
1085 1 43 TRP HB2 1 44 PHE H . . 4.160 3.916 3.650 4.138 . 0 0 "[ . 1 . 2]" 1
1086 1 43 TRP HB2 1 54 PHE QD . . 4.800 2.874 2.744 3.012 . 0 0 "[ . 1 . 2]" 1
1087 1 43 TRP HB2 1 54 PHE QE . . 4.360 2.318 2.055 2.667 . 0 0 "[ . 1 . 2]" 1
1088 1 43 TRP HB2 1 54 PHE HZ . . 4.540 3.693 3.441 4.096 . 0 0 "[ . 1 . 2]" 1
1089 1 43 TRP HB2 1 59 VAL MG1 . . 5.500 4.697 4.454 4.837 . 0 0 "[ . 1 . 2]" 1
1090 1 43 TRP HB2 1 59 VAL MG2 . . 4.890 3.492 3.343 3.689 . 0 0 "[ . 1 . 2]" 1
1091 1 43 TRP HB3 1 43 TRP HE3 . . 3.750 2.768 2.663 2.892 . 0 0 "[ . 1 . 2]" 1
1092 1 43 TRP HB3 1 44 PHE H . . 3.460 2.672 2.322 2.955 . 0 0 "[ . 1 . 2]" 1
1093 1 43 TRP HB3 1 54 PHE QD . . 4.320 4.161 3.889 4.321 0.001 14 0 "[ . 1 . 2]" 1
1094 1 43 TRP HB3 1 54 PHE QE . . 4.270 2.764 2.520 2.956 . 0 0 "[ . 1 . 2]" 1
1095 1 43 TRP HB3 1 54 PHE HZ . . 4.200 3.027 2.770 3.306 . 0 0 "[ . 1 . 2]" 1
1096 1 43 TRP HB3 1 59 VAL MG2 . . 4.510 4.186 3.999 4.390 . 0 0 "[ . 1 . 2]" 1
1097 1 43 TRP HD1 1 44 PHE H . . 4.670 4.569 4.454 4.658 . 0 0 "[ . 1 . 2]" 1
1098 1 43 TRP HD1 1 56 ALA HA . . 4.940 4.862 4.574 4.947 0.007 16 0 "[ . 1 . 2]" 1
1099 1 43 TRP HD1 1 56 ALA MB . . 4.190 3.005 2.656 3.340 . 0 0 "[ . 1 . 2]" 1
1100 1 43 TRP HD1 1 59 VAL MG2 . . 5.500 5.489 5.434 5.504 0.004 16 0 "[ . 1 . 2]" 1
1101 1 43 TRP HE1 1 56 ALA HA . . 5.360 4.979 4.805 5.267 . 0 0 "[ . 1 . 2]" 1
1102 1 43 TRP HE1 1 56 ALA MB . . 3.510 2.710 2.511 2.948 . 0 0 "[ . 1 . 2]" 1
1103 1 43 TRP HE3 1 44 PHE H . . 5.380 5.272 4.988 5.380 . 0 0 "[ . 1 . 2]" 1
1104 1 43 TRP HE3 1 54 PHE QE . . 3.500 2.203 1.999 2.390 . 0 0 "[ . 1 . 2]" 1
1105 1 43 TRP HE3 1 54 PHE HZ . . 3.720 3.323 2.950 3.712 . 0 0 "[ . 1 . 2]" 1
1106 1 43 TRP HE3 1 56 ALA MB . . 5.220 4.307 4.137 4.470 . 0 0 "[ . 1 . 2]" 1
1107 1 43 TRP HE3 1 59 VAL MG2 . . 3.960 2.547 2.367 2.737 . 0 0 "[ . 1 . 2]" 1
1108 1 43 TRP HH2 1 56 ALA MB . . 4.680 4.302 3.988 4.542 . 0 0 "[ . 1 . 2]" 1
1109 1 43 TRP HH2 1 59 VAL MG2 . . 4.200 3.978 3.705 4.192 . 0 0 "[ . 1 . 2]" 1
1110 1 43 TRP HH2 1 61 GLU HB2 . . 3.990 2.176 1.999 2.451 . 0 0 "[ . 1 . 2]" 1
1111 1 43 TRP HH2 1 61 GLU HG2 . . 4.770 4.629 4.414 4.755 . 0 0 "[ . 1 . 2]" 1
1112 1 43 TRP HH2 1 61 GLU HG3 . . 3.960 3.224 2.922 3.394 . 0 0 "[ . 1 . 2]" 1
1113 1 43 TRP HZ2 1 56 ALA MB . . 3.750 3.279 2.906 3.625 . 0 0 "[ . 1 . 2]" 1
1114 1 43 TRP HZ2 1 61 GLU HB2 . . 5.420 4.338 4.120 4.658 . 0 0 "[ . 1 . 2]" 1
1115 1 43 TRP HZ2 1 61 GLU HG3 . . 5.420 5.254 4.971 5.419 . 0 0 "[ . 1 . 2]" 1
1116 1 43 TRP HZ3 1 56 ALA HA . . 5.160 5.096 4.807 5.161 0.001 12 0 "[ . 1 . 2]" 1
1117 1 43 TRP HZ3 1 59 VAL HB . . 4.670 4.462 4.117 4.670 . 0 0 "[ . 1 . 2]" 1
1118 1 43 TRP HZ3 1 59 VAL MG2 . . 3.340 2.669 2.363 2.864 . 0 0 "[ . 1 . 2]" 1
1119 1 43 TRP HZ3 1 61 GLU HA . . 5.340 3.263 3.013 3.494 . 0 0 "[ . 1 . 2]" 1
1120 1 43 TRP HZ3 1 61 GLU HB2 . . 4.500 3.497 3.217 3.784 . 0 0 "[ . 1 . 2]" 1
1121 1 43 TRP HZ3 1 61 GLU HB3 . . 5.260 5.033 4.779 5.260 . 13 0 "[ . 1 . 2]" 1
1122 1 43 TRP HZ3 1 61 GLU HG2 . . 4.950 4.751 4.553 4.950 . 0 0 "[ . 1 . 2]" 1
1123 1 43 TRP HZ3 1 61 GLU HG3 . . 4.160 3.374 3.094 3.615 . 0 0 "[ . 1 . 2]" 1
1124 1 44 PHE H 1 44 PHE HB2 . . 3.240 3.062 2.936 3.158 . 0 0 "[ . 1 . 2]" 1
1125 1 44 PHE H 1 44 PHE QB . . 2.770 2.501 2.433 2.593 . 0 0 "[ . 1 . 2]" 1
1126 1 44 PHE H 1 44 PHE HB3 . . 3.240 2.653 2.577 2.775 . 0 0 "[ . 1 . 2]" 1
1127 1 44 PHE H 1 44 PHE QD . . 4.450 4.301 4.226 4.367 . 0 0 "[ . 1 . 2]" 1
1128 1 44 PHE HA 1 44 PHE QD . . 4.230 2.654 2.365 2.801 . 0 0 "[ . 1 . 2]" 1
1129 1 44 PHE HA 1 44 PHE QE . . 4.810 4.566 4.449 4.659 . 0 0 "[ . 1 . 2]" 1
1130 1 44 PHE HA 1 45 GLY H . . 2.920 2.157 2.143 2.187 . 0 0 "[ . 1 . 2]" 1
1131 1 44 PHE HA 1 52 GLY H . . 5.500 4.087 3.888 4.335 . 0 0 "[ . 1 . 2]" 1
1132 1 44 PHE HA 1 53 HIS HA . . 3.400 2.660 2.274 2.915 . 0 0 "[ . 1 . 2]" 1
1133 1 44 PHE HA 1 54 PHE QD . . 5.020 4.010 3.784 4.291 . 0 0 "[ . 1 . 2]" 1
1134 1 44 PHE HA 1 54 PHE QE . . 4.970 3.577 3.285 3.890 . 0 0 "[ . 1 . 2]" 1
1135 1 44 PHE QB 1 45 GLY H . . 4.160 3.767 3.661 3.866 . 0 0 "[ . 1 . 2]" 1
1136 1 44 PHE QB 1 53 HIS HD2 . . 4.280 2.613 1.995 3.059 . 0 0 "[ . 1 . 2]" 1
1137 1 44 PHE HB2 1 53 HIS HD2 . . 4.900 2.635 2.003 3.097 . 0 0 "[ . 1 . 2]" 1
1138 1 44 PHE HB3 1 53 HIS HD2 . . 4.900 4.361 3.711 4.776 . 0 0 "[ . 1 . 2]" 1
1139 1 44 PHE QD 1 45 GLY H . . 4.130 3.521 3.175 3.784 . 0 0 "[ . 1 . 2]" 1
1140 1 44 PHE QD 1 51 LYS QD . . 4.550 3.753 3.493 4.431 . 0 0 "[ . 1 . 2]" 1
1141 1 44 PHE QD 1 52 GLY HA2 . . 4.750 3.542 3.181 3.785 . 0 0 "[ . 1 . 2]" 1
1142 1 44 PHE QD 1 52 GLY HA3 . . 5.300 4.675 4.323 4.864 . 0 0 "[ . 1 . 2]" 1
1143 1 44 PHE QD 1 53 HIS HA . . 4.340 2.945 2.592 3.278 . 0 0 "[ . 1 . 2]" 1
1144 1 44 PHE QD 1 53 HIS HE1 . . 4.610 4.091 3.767 4.513 . 0 0 "[ . 1 . 2]" 1
1145 1 44 PHE QE 1 45 GLY H . . 5.500 4.517 4.258 4.827 . 0 0 "[ . 1 . 2]" 1
1146 1 44 PHE QE 1 51 LYS HA . . 5.430 4.937 4.723 5.147 . 0 0 "[ . 1 . 2]" 1
1147 1 44 PHE QE 1 51 LYS HB2 . . 4.960 4.449 4.151 4.649 . 0 0 "[ . 1 . 2]" 1
1148 1 44 PHE QE 1 51 LYS HB3 . . 4.360 3.165 2.880 3.386 . 0 0 "[ . 1 . 2]" 1
1149 1 44 PHE QE 1 51 LYS QD . . 3.600 2.280 2.008 2.900 . 0 0 "[ . 1 . 2]" 1
1150 1 44 PHE QE 1 51 LYS QE . . 4.940 3.733 2.925 4.361 . 0 0 "[ . 1 . 2]" 1
1151 1 44 PHE QE 1 51 LYS HG2 . . 4.650 4.257 3.924 4.515 . 0 0 "[ . 1 . 2]" 1
1152 1 44 PHE QE 1 51 LYS HG3 . . 5.230 4.960 4.751 5.211 . 0 0 "[ . 1 . 2]" 1
1153 1 44 PHE QE 1 52 GLY H . . 4.560 3.565 3.320 3.804 . 0 0 "[ . 1 . 2]" 1
1154 1 44 PHE QE 1 52 GLY HA2 . . 4.010 2.660 2.170 2.875 . 0 0 "[ . 1 . 2]" 1
1155 1 44 PHE QE 1 52 GLY HA3 . . 4.460 4.297 3.872 4.455 . 0 0 "[ . 1 . 2]" 1
1156 1 44 PHE QE 1 53 HIS H . . 5.500 4.318 3.780 4.805 . 0 0 "[ . 1 . 2]" 1
1157 1 44 PHE QE 1 53 HIS HA . . 5.500 4.879 4.625 5.201 . 0 0 "[ . 1 . 2]" 1
1158 1 44 PHE QE 1 53 HIS HE1 . . 4.570 4.076 3.521 4.414 . 0 0 "[ . 1 . 2]" 1
1159 1 44 PHE HZ 1 51 LYS HA . . 5.500 5.272 5.020 5.500 . 0 0 "[ . 1 . 2]" 1
1160 1 44 PHE HZ 1 51 LYS HB2 . . 5.150 3.908 3.637 4.239 . 0 0 "[ . 1 . 2]" 1
1161 1 44 PHE HZ 1 51 LYS HB3 . . 4.560 2.709 2.443 2.984 . 0 0 "[ . 1 . 2]" 1
1162 1 44 PHE HZ 1 51 LYS QD . . 4.070 2.419 1.996 2.756 . 0 0 "[ . 1 . 2]" 1
1163 1 44 PHE HZ 1 51 LYS QE . . 5.470 3.855 3.024 4.859 . 0 0 "[ . 1 . 2]" 1
1164 1 44 PHE HZ 1 51 LYS HG2 . . 5.160 4.524 4.103 4.926 . 0 0 "[ . 1 . 2]" 1
1165 1 44 PHE HZ 1 51 LYS HG3 . . 5.500 5.001 4.736 5.309 . 0 0 "[ . 1 . 2]" 1
1166 1 45 GLY H 1 51 LYS HA . . 4.920 4.151 3.911 4.321 . 0 0 "[ . 1 . 2]" 1
1167 1 45 GLY H 1 51 LYS HB3 . . 5.500 4.672 4.304 4.890 . 0 0 "[ . 1 . 2]" 1
1168 1 45 GLY H 1 52 GLY H . . 3.520 2.735 2.539 2.875 . 0 0 "[ . 1 . 2]" 1
1169 1 45 GLY H 1 52 GLY HA3 . . 5.500 4.925 4.793 5.059 . 0 0 "[ . 1 . 2]" 1
1170 1 45 GLY H 1 53 HIS HA . . 4.240 4.059 3.834 4.237 . 0 0 "[ . 1 . 2]" 1
1171 1 45 GLY H 1 54 PHE QD . . 4.020 3.418 3.106 3.768 . 0 0 "[ . 1 . 2]" 1
1172 1 45 GLY H 1 54 PHE QE . . 3.720 2.301 2.024 2.555 . 0 0 "[ . 1 . 2]" 1
1173 1 45 GLY HA2 1 46 SER H . . 3.350 2.537 2.474 2.635 . 0 0 "[ . 1 . 2]" 1
1174 1 45 GLY HA2 1 51 LYS HG2 . . 5.240 3.165 2.793 3.500 . 0 0 "[ . 1 . 2]" 1
1175 1 45 GLY HA2 1 52 GLY H . . 5.020 4.357 4.214 4.527 . 0 0 "[ . 1 . 2]" 1
1176 1 45 GLY HA2 1 54 PHE QE . . 4.690 3.693 3.464 3.882 . 0 0 "[ . 1 . 2]" 1
1177 1 45 GLY HA3 1 46 SER H . . 3.210 2.589 2.493 2.655 . 0 0 "[ . 1 . 2]" 1
1178 1 45 GLY HA3 1 46 SER HB2 . . 5.350 5.074 4.844 5.351 0.001 15 0 "[ . 1 . 2]" 1
1179 1 45 GLY HA3 1 46 SER HB3 . . 5.500 5.285 4.911 5.486 . 0 0 "[ . 1 . 2]" 1
1180 1 45 GLY HA3 1 54 PHE QD . . 4.880 4.754 4.417 4.879 . 0 0 "[ . 1 . 2]" 1
1181 1 45 GLY HA3 1 54 PHE QE . . 3.900 2.453 2.116 2.596 . 0 0 "[ . 1 . 2]" 1
1182 1 45 GLY HA3 1 54 PHE HZ . . 4.800 3.095 2.784 3.373 . 0 0 "[ . 1 . 2]" 1
1183 1 46 SER H 1 46 SER HB2 . . 3.500 2.820 2.569 3.226 . 0 0 "[ . 1 . 2]" 1
1184 1 46 SER H 1 46 SER HB3 . . 3.470 2.722 2.430 2.937 . 0 0 "[ . 1 . 2]" 1
1185 1 46 SER H 1 51 LYS HA . . 4.650 4.104 3.929 4.271 . 0 0 "[ . 1 . 2]" 1
1186 1 46 SER H 1 54 PHE QE . . 4.650 4.195 3.909 4.466 . 0 0 "[ . 1 . 2]" 1
1187 1 46 SER HA 1 47 LEU H . . 2.810 2.161 2.139 2.221 . 0 0 "[ . 1 . 2]" 1
1188 1 46 SER HA 1 47 LEU HB3 . . 5.500 4.340 4.326 4.363 . 0 0 "[ . 1 . 2]" 1
1189 1 46 SER HA 1 50 LYS H . . 4.360 3.921 3.702 4.115 . 0 0 "[ . 1 . 2]" 1
1190 1 46 SER HA 1 51 LYS H . . 4.730 4.137 3.919 4.266 . 0 0 "[ . 1 . 2]" 1
1191 1 46 SER HA 1 51 LYS HA . . 3.280 2.070 1.997 2.137 . 0 0 "[ . 1 . 2]" 1
1192 1 46 SER HA 1 51 LYS HB2 . . 5.100 4.655 4.473 4.797 . 0 0 "[ . 1 . 2]" 1
1193 1 46 SER HA 1 51 LYS HB3 . . 5.050 4.593 4.433 4.692 . 0 0 "[ . 1 . 2]" 1
1194 1 46 SER HA 1 51 LYS QE . . 5.500 5.435 4.949 5.513 0.013 19 0 "[ . 1 . 2]" 1
1195 1 46 SER HA 1 51 LYS HG2 . . 4.350 3.001 2.755 3.363 . 0 0 "[ . 1 . 2]" 1
1196 1 46 SER HA 1 51 LYS HG3 . . 4.590 3.669 3.400 3.801 . 0 0 "[ . 1 . 2]" 1
1197 1 46 SER HA 1 52 GLY H . . 3.950 3.830 3.694 3.913 . 0 0 "[ . 1 . 2]" 1
1198 1 46 SER HB2 1 47 LEU H . . 4.650 4.289 3.957 4.507 . 0 0 "[ . 1 . 2]" 1
1199 1 46 SER HB2 1 50 LYS H . . 5.240 4.702 4.204 5.077 . 0 0 "[ . 1 . 2]" 1
1200 1 46 SER HB2 1 51 LYS H . . 5.330 4.211 3.761 4.584 . 0 0 "[ . 1 . 2]" 1
1201 1 46 SER HB2 1 51 LYS HA . . 4.150 3.125 2.832 3.451 . 0 0 "[ . 1 . 2]" 1
1202 1 46 SER HB2 1 51 LYS HB2 . . 5.130 4.068 3.811 4.312 . 0 0 "[ . 1 . 2]" 1
1203 1 46 SER HB2 1 51 LYS HB3 . . 5.340 4.424 4.289 4.565 . 0 0 "[ . 1 . 2]" 1
1204 1 46 SER HB2 1 51 LYS QD . . 4.320 3.497 3.196 3.806 . 0 0 "[ . 1 . 2]" 1
1205 1 46 SER HB2 1 51 LYS QE . . 4.680 3.686 2.875 4.123 . 0 0 "[ . 1 . 2]" 1
1206 1 46 SER HB2 1 51 LYS HG2 . . 3.980 2.207 2.018 2.392 . 0 0 "[ . 1 . 2]" 1
1207 1 46 SER HB2 1 51 LYS HG3 . . 4.320 2.020 1.991 2.119 . 0 0 "[ . 1 . 2]" 1
1208 1 46 SER HB2 1 52 GLY H . . 5.500 5.078 4.913 5.335 . 0 0 "[ . 1 . 2]" 1
1209 1 46 SER HB3 1 47 LEU H . . 4.840 4.050 3.661 4.346 . 0 0 "[ . 1 . 2]" 1
1210 1 46 SER HB3 1 49 GLY QA . . 5.340 4.257 3.937 4.631 . 0 0 "[ . 1 . 2]" 1
1211 1 46 SER HB3 1 50 LYS H . . 5.230 4.594 4.309 5.010 . 0 0 "[ . 1 . 2]" 1
1212 1 46 SER HB3 1 51 LYS H . . 5.500 5.496 5.435 5.520 0.020 19 0 "[ . 1 . 2]" 1
1213 1 46 SER HB3 1 51 LYS HA . . 4.670 4.383 4.225 4.526 . 0 0 "[ . 1 . 2]" 1
1214 1 46 SER HB3 1 51 LYS QD . . 5.500 4.754 4.254 5.329 . 0 0 "[ . 1 . 2]" 1
1215 1 46 SER HB3 1 51 LYS HG2 . . 4.050 3.719 3.273 4.048 . 0 0 "[ . 1 . 2]" 1
1216 1 46 SER HB3 1 51 LYS HG3 . . 4.390 3.625 3.401 3.754 . 0 0 "[ . 1 . 2]" 1
1217 1 47 LEU H 1 47 LEU HB2 . . 3.600 2.937 2.797 3.062 . 0 0 "[ . 1 . 2]" 1
1218 1 47 LEU H 1 47 LEU HB3 . . 3.410 2.241 2.223 2.275 . 0 0 "[ . 1 . 2]" 1
1219 1 47 LEU H 1 47 LEU MD1 . . 4.840 4.174 4.132 4.206 . 0 0 "[ . 1 . 2]" 1
1220 1 47 LEU H 1 47 LEU MD2 . . 4.750 4.292 4.246 4.349 . 0 0 "[ . 1 . 2]" 1
1221 1 47 LEU H 1 50 LYS H . . 3.590 3.162 2.885 3.591 0.001 11 0 "[ . 1 . 2]" 1
1222 1 47 LEU H 1 50 LYS HB2 . . 5.180 4.082 3.882 4.289 . 0 0 "[ . 1 . 2]" 1
1223 1 47 LEU H 1 50 LYS HB3 . . 5.180 4.840 4.642 5.130 . 0 0 "[ . 1 . 2]" 1
1224 1 47 LEU H 1 51 LYS H . . 5.500 5.241 5.104 5.443 . 0 0 "[ . 1 . 2]" 1
1225 1 47 LEU H 1 51 LYS HA . . 4.880 3.821 3.669 3.973 . 0 0 "[ . 1 . 2]" 1
1226 1 47 LEU HA 1 47 LEU MD1 . . 3.820 2.206 2.088 2.316 . 0 0 "[ . 1 . 2]" 1
1227 1 47 LEU HA 1 47 LEU MD2 . . 4.560 3.826 3.792 3.838 . 0 0 "[ . 1 . 2]" 1
1228 1 47 LEU HB2 1 47 LEU MD1 . . 3.160 2.515 2.462 2.566 . 0 0 "[ . 1 . 2]" 1
1229 1 47 LEU HB2 1 47 LEU MD2 . . 3.410 2.276 2.203 2.315 . 0 0 "[ . 1 . 2]" 1
1230 1 47 LEU HB3 1 47 LEU MD2 . . 2.990 2.441 2.404 2.505 . 0 0 "[ . 1 . 2]" 1
1231 1 47 LEU HB3 1 48 ASN HB2 . . 4.870 3.976 3.950 3.989 . 0 0 "[ . 1 . 2]" 1
1232 1 47 LEU HB3 1 48 ASN HB3 . . 5.500 5.503 5.472 5.515 0.015 16 0 "[ . 1 . 2]" 1
1233 1 47 LEU MD1 1 48 ASN H . . 4.200 3.373 3.341 3.398 . 0 0 "[ . 1 . 2]" 1
1234 1 47 LEU MD1 1 48 ASN HA . . 4.660 3.614 3.485 3.706 . 0 0 "[ . 1 . 2]" 1
1235 1 47 LEU MD1 1 48 ASN HB2 . . 4.280 3.716 3.558 3.795 . 0 0 "[ . 1 . 2]" 1
1236 1 47 LEU MD1 1 48 ASN HB3 . . 5.270 4.682 4.588 4.733 . 0 0 "[ . 1 . 2]" 1
1237 1 47 LEU MD1 1 48 ASN HD21 . . 4.140 3.078 2.249 3.791 . 0 0 "[ . 1 . 2]" 1
1238 1 47 LEU MD1 1 48 ASN HD22 . . 4.140 2.920 2.488 3.379 . 0 0 "[ . 1 . 2]" 1
1239 1 47 LEU MD1 1 50 LYS H . . 5.500 5.514 5.506 5.526 0.026 13 0 "[ . 1 . 2]" 1
1240 1 47 LEU MD2 1 48 ASN H . . 4.690 3.545 3.510 3.595 . 0 0 "[ . 1 . 2]" 1
1241 1 47 LEU MD2 1 48 ASN HA . . 5.500 5.174 5.109 5.263 . 0 0 "[ . 1 . 2]" 1
1242 1 47 LEU MD2 1 48 ASN HB2 . . 4.820 3.692 3.658 3.742 . 0 0 "[ . 1 . 2]" 1
1243 1 47 LEU MD2 1 48 ASN HB3 . . 5.500 5.124 5.098 5.177 . 0 0 "[ . 1 . 2]" 1
1244 1 47 LEU MD2 1 48 ASN HD21 . . 4.560 3.131 2.616 3.747 . 0 0 "[ . 1 . 2]" 1
1245 1 47 LEU MD2 1 48 ASN HD22 . . 4.560 3.861 3.560 4.159 . 0 0 "[ . 1 . 2]" 1
1246 1 47 LEU MD2 1 50 LYS H . . 5.500 5.480 5.414 5.508 0.008 15 0 "[ . 1 . 2]" 1
1247 1 47 LEU HG 1 48 ASN H . . 4.660 2.245 2.202 2.313 . 0 0 "[ . 1 . 2]" 1
1248 1 47 LEU HG 1 48 ASN HA . . 5.220 3.738 3.663 3.842 . 0 0 "[ . 1 . 2]" 1
1249 1 47 LEU HG 1 48 ASN HB2 . . 3.830 2.443 2.345 2.500 . 0 0 "[ . 1 . 2]" 1
1250 1 47 LEU HG 1 48 ASN HB3 . . 4.490 4.030 3.991 4.067 . 0 0 "[ . 1 . 2]" 1
1251 1 47 LEU HG 1 48 ASN HD21 . . 4.140 2.619 1.938 3.338 . 0 0 "[ . 1 . 2]" 1
1252 1 47 LEU HG 1 48 ASN QD . . 3.580 2.545 1.925 3.158 . 0 0 "[ . 1 . 2]" 1
1253 1 47 LEU HG 1 48 ASN HD22 . . 4.140 3.601 3.296 3.928 . 0 0 "[ . 1 . 2]" 1
1254 1 48 ASN H 1 49 GLY H . . 4.590 2.851 2.520 3.089 . 0 0 "[ . 1 . 2]" 1
1255 1 48 ASN HA 1 48 ASN HD21 . . 4.930 4.151 3.881 4.344 . 0 0 "[ . 1 . 2]" 1
1256 1 48 ASN HA 1 48 ASN QD . . 4.340 3.781 3.581 3.924 . 0 0 "[ . 1 . 2]" 1
1257 1 48 ASN HA 1 48 ASN HD22 . . 4.930 4.357 4.202 4.471 . 0 0 "[ . 1 . 2]" 1
1258 1 48 ASN HA 1 50 LYS H . . 5.050 4.340 4.150 4.551 . 0 0 "[ . 1 . 2]" 1
1259 1 48 ASN HB2 1 48 ASN HD21 . . 3.520 2.165 2.115 2.274 . 0 0 "[ . 1 . 2]" 1
1260 1 48 ASN HB2 1 48 ASN QD . . 2.980 2.144 2.096 2.247 . 0 0 "[ . 1 . 2]" 1
1261 1 48 ASN HB2 1 48 ASN HD22 . . 3.520 3.453 3.434 3.496 . 0 0 "[ . 1 . 2]" 1
1262 1 48 ASN HB2 1 49 GLY H . . 4.900 4.343 4.143 4.489 . 0 0 "[ . 1 . 2]" 1
1263 1 48 ASN HB2 1 50 LYS H . . 4.770 4.417 4.319 4.537 . 0 0 "[ . 1 . 2]" 1
1264 1 48 ASN HB3 1 48 ASN QD . . 3.400 2.990 2.771 3.183 . 0 0 "[ . 1 . 2]" 1
1265 1 48 ASN HB3 1 48 ASN HD22 . . 4.040 3.874 3.749 3.989 . 0 0 "[ . 1 . 2]" 1
1266 1 48 ASN HB3 1 50 LYS H . . 5.470 4.861 4.747 5.069 . 0 0 "[ . 1 . 2]" 1
1267 1 49 GLY H 1 50 LYS H . . 3.080 2.245 1.961 2.442 . 0 0 "[ . 1 . 2]" 1
1268 1 49 GLY H 1 50 LYS QB . . 5.340 4.460 4.294 4.639 . 0 0 "[ . 1 . 2]" 1
1269 1 50 LYS H 1 50 LYS QB . . 2.840 2.446 2.379 2.567 . 0 0 "[ . 1 . 2]" 1
1270 1 50 LYS H 1 50 LYS QE . . 5.500 5.165 4.373 5.429 . 0 0 "[ . 1 . 2]" 1
1271 1 50 LYS H 1 50 LYS QG . . 4.080 3.280 2.977 3.442 . 0 0 "[ . 1 . 2]" 1
1272 1 50 LYS H 1 51 LYS H . . 4.460 4.275 4.233 4.314 . 0 0 "[ . 1 . 2]" 1
1273 1 50 LYS HA 1 50 LYS QD . . 4.140 3.142 2.239 4.080 . 0 0 "[ . 1 . 2]" 1
1274 1 50 LYS HA 1 50 LYS QE . . 4.700 3.846 3.473 4.314 . 0 0 "[ . 1 . 2]" 1
1275 1 50 LYS HA 1 50 LYS HG2 . . 3.940 2.415 2.190 2.652 . 0 0 "[ . 1 . 2]" 1
1276 1 50 LYS HA 1 50 LYS HG3 . . 3.940 3.390 2.759 3.732 . 0 0 "[ . 1 . 2]" 1
1277 1 50 LYS HA 1 51 LYS H . . 2.670 2.141 2.139 2.145 . 0 0 "[ . 1 . 2]" 1
1278 1 50 LYS HA 1 51 LYS HB2 . . 5.070 4.267 4.257 4.274 . 0 0 "[ . 1 . 2]" 1
1279 1 50 LYS HA 1 51 LYS HB3 . . 5.500 5.588 5.585 5.593 0.093 19 0 "[ . 1 . 2]" 1
1280 1 50 LYS QB 1 50 LYS QE . . 4.360 2.100 1.876 2.400 . 0 0 "[ . 1 . 2]" 1
1281 1 50 LYS QB 1 51 LYS H . . 3.460 3.368 3.259 3.435 . 0 0 "[ . 1 . 2]" 1
1282 1 50 LYS HB2 1 50 LYS QE . . 4.980 3.206 2.091 3.659 . 0 0 "[ . 1 . 2]" 1
1283 1 50 LYS HB3 1 50 LYS QE . . 4.980 2.153 2.019 2.433 . 0 0 "[ . 1 . 2]" 1
1284 1 50 LYS QD 1 51 LYS H . . 5.500 4.341 3.224 5.505 0.005 16 0 "[ . 1 . 2]" 1
1285 1 50 LYS QE 1 50 LYS HG2 . . 3.820 2.967 2.101 3.529 . 0 0 "[ . 1 . 2]" 1
1286 1 50 LYS QE 1 50 LYS QG . . 3.260 2.349 2.076 2.685 . 0 0 "[ . 1 . 2]" 1
1287 1 50 LYS QE 1 50 LYS HG3 . . 3.820 2.762 2.230 3.283 . 0 0 "[ . 1 . 2]" 1
1288 1 50 LYS QE 1 51 LYS H . . 5.500 4.606 4.132 5.369 . 0 0 "[ . 1 . 2]" 1
1289 1 50 LYS QG 1 51 LYS H . . 4.700 4.143 3.740 4.497 . 0 0 "[ . 1 . 2]" 1
1290 1 51 LYS H 1 51 LYS HB2 . . 3.090 2.202 2.195 2.230 . 0 0 "[ . 1 . 2]" 1
1291 1 51 LYS H 1 51 LYS QD . . 5.150 4.635 4.212 4.774 . 0 0 "[ . 1 . 2]" 1
1292 1 51 LYS H 1 51 LYS QE . . 4.960 4.300 3.828 4.954 . 0 0 "[ . 1 . 2]" 1
1293 1 51 LYS H 1 51 LYS HG2 . . 4.200 4.038 3.947 4.197 . 0 0 "[ . 1 . 2]" 1
1294 1 51 LYS H 1 51 LYS HG3 . . 3.350 3.271 3.227 3.352 0.002 2 0 "[ . 1 . 2]" 1
1295 1 51 LYS HA 1 51 LYS QD . . 4.620 3.812 3.721 3.941 . 0 0 "[ . 1 . 2]" 1
1296 1 51 LYS HA 1 51 LYS QE . . 5.130 4.580 4.416 4.776 . 0 0 "[ . 1 . 2]" 1
1297 1 51 LYS HA 1 51 LYS HG2 . . 3.770 2.245 2.178 2.397 . 0 0 "[ . 1 . 2]" 1
1298 1 51 LYS HA 1 51 LYS HG3 . . 4.000 2.964 2.759 3.069 . 0 0 "[ . 1 . 2]" 1
1299 1 51 LYS HA 1 52 GLY H . . 2.970 2.311 2.247 2.369 . 0 0 "[ . 1 . 2]" 1
1300 1 51 LYS HA 1 52 GLY HA2 . . 5.490 4.548 4.504 4.590 . 0 0 "[ . 1 . 2]" 1
1301 1 51 LYS HA 1 52 GLY HA3 . . 5.010 4.312 4.306 4.318 . 0 0 "[ . 1 . 2]" 1
1302 1 51 LYS HB2 1 51 LYS QE . . 4.710 2.744 2.156 3.701 . 0 0 "[ . 1 . 2]" 1
1303 1 51 LYS HB2 1 52 GLY HA2 . . 5.290 5.040 4.990 5.090 . 0 0 "[ . 1 . 2]" 1
1304 1 51 LYS HB3 1 51 LYS QE . . 4.740 3.353 2.926 4.118 . 0 0 "[ . 1 . 2]" 1
1305 1 51 LYS HB3 1 52 GLY H . . 3.600 2.782 2.620 2.976 . 0 0 "[ . 1 . 2]" 1
1306 1 51 LYS HB3 1 52 GLY HA3 . . 5.360 4.690 4.613 4.777 . 0 0 "[ . 1 . 2]" 1
1307 1 51 LYS QD 1 52 GLY H . . 5.480 4.128 3.815 4.478 . 0 0 "[ . 1 . 2]" 1
1308 1 51 LYS QE 1 51 LYS HG2 . . 3.750 3.223 2.734 3.442 . 0 0 "[ . 1 . 2]" 1
1309 1 51 LYS QE 1 51 LYS HG3 . . 3.520 2.214 2.063 2.453 . 0 0 "[ . 1 . 2]" 1
1310 1 51 LYS HG2 1 52 GLY H . . 4.800 3.433 3.368 3.499 . 0 0 "[ . 1 . 2]" 1
1311 1 52 GLY H 1 53 HIS H . . 4.780 4.371 4.300 4.388 . 0 0 "[ . 1 . 2]" 1
1312 1 52 GLY H 1 54 PHE QD . . 5.300 4.124 3.790 4.392 . 0 0 "[ . 1 . 2]" 1
1313 1 53 HIS H 1 53 HIS QB . . 3.690 2.403 2.306 2.492 . 0 0 "[ . 1 . 2]" 1
1314 1 53 HIS H 1 54 PHE H . . 5.180 4.341 4.119 4.543 . 0 0 "[ . 1 . 2]" 1
1315 1 53 HIS HA 1 54 PHE H . . 3.380 2.158 2.139 2.211 . 0 0 "[ . 1 . 2]" 1
1316 1 53 HIS HA 1 54 PHE QD . . 4.190 3.945 3.579 4.179 . 0 0 "[ . 1 . 2]" 1
1317 1 53 HIS QB 1 54 PHE H . . 4.080 3.407 2.982 3.704 . 0 0 "[ . 1 . 2]" 1
1318 1 53 HIS HB2 1 54 PHE H . . 4.650 4.362 4.114 4.530 . 0 0 "[ . 1 . 2]" 1
1319 1 53 HIS HB3 1 54 PHE H . . 4.650 3.561 3.061 3.929 . 0 0 "[ . 1 . 2]" 1
1320 1 54 PHE H 1 54 PHE QD . . 4.050 2.888 2.574 3.110 . 0 0 "[ . 1 . 2]" 1
1321 1 54 PHE HB2 1 55 PRO QB . . 5.430 4.827 4.777 4.883 . 0 0 "[ . 1 . 2]" 1
1322 1 54 PHE HB2 1 55 PRO HD2 . . 3.980 2.016 1.996 2.072 . 0 0 "[ . 1 . 2]" 1
1323 1 54 PHE HB2 1 55 PRO HD3 . . 3.980 3.465 3.448 3.513 . 0 0 "[ . 1 . 2]" 1
1324 1 54 PHE HB2 1 55 PRO QG . . 4.740 3.624 3.589 3.682 . 0 0 "[ . 1 . 2]" 1
1325 1 54 PHE HB3 1 55 PRO HD2 . . 4.410 3.184 3.046 3.283 . 0 0 "[ . 1 . 2]" 1
1326 1 54 PHE HB3 1 55 PRO QD . . 3.690 3.090 2.964 3.181 . 0 0 "[ . 1 . 2]" 1
1327 1 54 PHE HB3 1 55 PRO HD3 . . 4.410 4.179 4.058 4.267 . 0 0 "[ . 1 . 2]" 1
1328 1 54 PHE HB3 1 55 PRO QG . . 5.350 4.943 4.825 5.027 . 0 0 "[ . 1 . 2]" 1
1329 1 54 PHE QD 1 55 PRO HD2 . . 4.940 3.733 3.632 3.867 . 0 0 "[ . 1 . 2]" 1
1330 1 54 PHE QD 1 55 PRO QD . . 4.250 3.612 3.525 3.729 . 0 0 "[ . 1 . 2]" 1
1331 1 54 PHE QD 1 55 PRO HD3 . . 4.940 4.811 4.747 4.912 . 0 0 "[ . 1 . 2]" 1
1332 1 54 PHE QD 1 56 ALA HA . . 4.760 3.614 3.477 3.783 . 0 0 "[ . 1 . 2]" 1
1333 1 54 PHE QD 1 58 TYR HB2 . . 5.340 4.490 4.358 4.750 . 0 0 "[ . 1 . 2]" 1
1334 1 54 PHE QD 1 59 VAL H . . 4.850 4.470 4.361 4.667 . 0 0 "[ . 1 . 2]" 1
1335 1 54 PHE QD 1 59 VAL HB . . 5.500 5.026 4.826 5.179 . 0 0 "[ . 1 . 2]" 1
1336 1 54 PHE QD 1 59 VAL MG1 . . 3.470 2.802 2.517 2.935 . 0 0 "[ . 1 . 2]" 1
1337 1 54 PHE QD 1 59 VAL MG2 . . 3.610 2.770 2.456 3.060 . 0 0 "[ . 1 . 2]" 1
1338 1 54 PHE QE 1 56 ALA HA . . 4.570 3.893 3.583 4.238 . 0 0 "[ . 1 . 2]" 1
1339 1 54 PHE QE 1 59 VAL HB . . 5.010 4.347 4.204 4.553 . 0 0 "[ . 1 . 2]" 1
1340 1 54 PHE QE 1 59 VAL MG1 . . 3.390 3.077 2.810 3.350 . 0 0 "[ . 1 . 2]" 1
1341 1 54 PHE QE 1 59 VAL MG2 . . 3.080 2.058 1.972 2.263 . 0 0 "[ . 1 . 2]" 1
1342 1 54 PHE HZ 1 59 VAL MG1 . . 5.500 4.500 4.275 4.749 . 0 0 "[ . 1 . 2]" 1
1343 1 55 PRO HA 1 56 ALA H . . 3.110 2.186 2.152 2.291 . 0 0 "[ . 1 . 2]" 1
1344 1 55 PRO HA 1 56 ALA HA . . 4.780 4.367 4.353 4.389 . 0 0 "[ . 1 . 2]" 1
1345 1 55 PRO HA 1 56 ALA MB . . 4.160 3.980 3.911 4.015 . 0 0 "[ . 1 . 2]" 1
1346 1 55 PRO HA 1 58 TYR QD . . 5.200 4.829 4.584 5.104 . 0 0 "[ . 1 . 2]" 1
1347 1 55 PRO QB 1 56 ALA H . . 4.430 3.148 2.800 3.346 . 0 0 "[ . 1 . 2]" 1
1348 1 55 PRO QB 1 56 ALA MB . . 5.500 4.442 4.278 4.538 . 0 0 "[ . 1 . 2]" 1
1349 1 55 PRO QB 1 58 TYR H . . 4.080 2.836 2.741 2.948 . 0 0 "[ . 1 . 2]" 1
1350 1 55 PRO QB 1 58 TYR HB2 . . 4.670 3.005 2.838 3.184 . 0 0 "[ . 1 . 2]" 1
1351 1 55 PRO QB 1 58 TYR HB3 . . 5.100 4.485 4.317 4.643 . 0 0 "[ . 1 . 2]" 1
1352 1 55 PRO QB 1 58 TYR QD . . 3.600 2.200 1.995 2.534 . 0 0 "[ . 1 . 2]" 1
1353 1 55 PRO QB 1 58 TYR QE . . 3.710 3.362 3.038 3.631 . 0 0 "[ . 1 . 2]" 1
1354 1 55 PRO QD 1 58 TYR QD . . 4.510 4.333 4.193 4.447 . 0 0 "[ . 1 . 2]" 1
1355 1 55 PRO QG 1 58 TYR H . . 4.900 3.481 3.388 3.557 . 0 0 "[ . 1 . 2]" 1
1356 1 55 PRO QG 1 58 TYR HB2 . . 4.040 2.017 1.989 2.194 . 0 0 "[ . 1 . 2]" 1
1357 1 55 PRO QG 1 58 TYR HB3 . . 4.720 3.162 3.068 3.315 . 0 0 "[ . 1 . 2]" 1
1358 1 55 PRO QG 1 58 TYR QD . . 3.760 2.775 2.566 2.948 . 0 0 "[ . 1 . 2]" 1
1359 1 55 PRO QG 1 58 TYR QE . . 4.180 3.435 3.199 3.625 . 0 0 "[ . 1 . 2]" 1
1360 1 56 ALA H 1 56 ALA MB . . 3.490 2.191 2.060 2.293 . 0 0 "[ . 1 . 2]" 1
1361 1 56 ALA H 1 57 ALA H . . 4.920 2.623 2.299 2.803 . 0 0 "[ . 1 . 2]" 1
1362 1 56 ALA HA 1 58 TYR H . . 4.820 3.626 3.439 3.920 . 0 0 "[ . 1 . 2]" 1
1363 1 56 ALA HA 1 59 VAL H . . 4.500 3.071 3.019 3.203 . 0 0 "[ . 1 . 2]" 1
1364 1 56 ALA HA 1 59 VAL MG1 . . 4.560 3.912 3.673 4.063 . 0 0 "[ . 1 . 2]" 1
1365 1 56 ALA HA 1 59 VAL MG2 . . 3.230 2.068 1.959 2.277 . 0 0 "[ . 1 . 2]" 1
1366 1 56 ALA MB 1 57 ALA H . . 4.600 2.418 2.158 2.733 . 0 0 "[ . 1 . 2]" 1
1367 1 56 ALA MB 1 57 ALA HA . . 4.860 3.725 3.611 3.859 . 0 0 "[ . 1 . 2]" 1
1368 1 56 ALA MB 1 59 VAL MG2 . . 4.140 3.241 3.140 3.362 . 0 0 "[ . 1 . 2]" 1
1369 1 57 ALA H 1 58 TYR H . . 4.280 2.824 2.648 2.964 . 0 0 "[ . 1 . 2]" 1
1370 1 57 ALA HA 1 58 TYR QD . . 5.210 4.695 4.463 5.029 . 0 0 "[ . 1 . 2]" 1
1371 1 57 ALA HA 1 59 VAL H . . 4.510 4.428 4.234 4.510 0.000 16 0 "[ . 1 . 2]" 1
1372 1 58 TYR H 1 58 TYR HB2 . . 3.420 2.267 2.219 2.344 . 0 0 "[ . 1 . 2]" 1
1373 1 58 TYR H 1 58 TYR HB3 . . 3.910 3.547 3.516 3.596 . 0 0 "[ . 1 . 2]" 1
1374 1 58 TYR H 1 58 TYR QD . . 3.630 2.343 2.182 2.472 . 0 0 "[ . 1 . 2]" 1
1375 1 58 TYR H 1 58 TYR QE . . 4.810 4.683 4.533 4.807 . 0 0 "[ . 1 . 2]" 1
1376 1 58 TYR H 1 59 VAL MG1 . . 4.470 4.024 3.609 4.280 . 0 0 "[ . 1 . 2]" 1
1377 1 58 TYR H 1 59 VAL MG2 . . 4.380 3.815 3.588 4.163 . 0 0 "[ . 1 . 2]" 1
1378 1 58 TYR HA 1 58 TYR QD . . 4.370 2.962 2.827 3.058 . 0 0 "[ . 1 . 2]" 1
1379 1 58 TYR HB2 1 59 VAL H . . 4.190 2.824 2.699 3.025 . 0 0 "[ . 1 . 2]" 1
1380 1 58 TYR HB2 1 59 VAL HA . . 4.960 4.823 4.746 4.878 . 0 0 "[ . 1 . 2]" 1
1381 1 58 TYR HB2 1 59 VAL MG1 . . 3.800 2.991 2.841 3.104 . 0 0 "[ . 1 . 2]" 1
1382 1 58 TYR HB2 1 59 VAL MG2 . . 4.990 4.101 3.935 4.374 . 0 0 "[ . 1 . 2]" 1
1383 1 58 TYR HB3 1 59 VAL H . . 4.590 3.497 3.297 3.727 . 0 0 "[ . 1 . 2]" 1
1384 1 58 TYR HB3 1 59 VAL MG1 . . 4.120 3.036 2.860 3.155 . 0 0 "[ . 1 . 2]" 1
1385 1 58 TYR HB3 1 59 VAL MG2 . . 5.390 4.780 4.629 5.080 . 0 0 "[ . 1 . 2]" 1
1386 1 58 TYR QD 1 59 VAL H . . 4.490 4.342 4.262 4.398 . 0 0 "[ . 1 . 2]" 1
1387 1 59 VAL H 1 59 VAL MG1 . . 3.430 2.437 2.342 2.554 . 0 0 "[ . 1 . 2]" 1
1388 1 59 VAL H 1 59 VAL MG2 . . 3.000 2.087 1.933 2.269 . 0 0 "[ . 1 . 2]" 1
1389 1 59 VAL H 1 60 GLU H . . 4.800 4.527 4.454 4.551 . 0 0 "[ . 1 . 2]" 1
1390 1 59 VAL HA 1 59 VAL MG1 . . 3.120 2.469 2.424 2.553 . 0 0 "[ . 1 . 2]" 1
1391 1 59 VAL HA 1 59 VAL MG2 . . 3.520 3.191 3.178 3.198 . 0 0 "[ . 1 . 2]" 1
1392 1 59 VAL HA 1 60 GLU H . . 2.900 2.322 2.185 2.417 . 0 0 "[ . 1 . 2]" 1
1393 1 59 VAL HA 1 60 GLU HB2 . . 4.920 4.516 4.387 4.786 . 0 0 "[ . 1 . 2]" 1
1394 1 59 VAL HA 1 60 GLU HB3 . . 5.230 4.394 4.203 4.528 . 0 0 "[ . 1 . 2]" 1
1395 1 59 VAL HB 1 60 GLU H . . 3.060 2.636 2.385 3.060 . 0 0 "[ . 1 . 2]" 1
1396 1 59 VAL MG1 1 60 GLU H . . 4.060 3.862 3.729 4.023 . 0 0 "[ . 1 . 2]" 1
1397 1 59 VAL MG2 1 60 GLU H . . 3.760 3.419 3.158 3.761 0.001 20 0 "[ . 1 . 2]" 1
1398 1 59 VAL MG2 1 61 GLU H . . 4.800 4.166 3.945 4.462 . 0 0 "[ . 1 . 2]" 1
1399 1 59 VAL MG2 1 61 GLU HA . . 4.650 4.553 4.302 4.649 . 0 0 "[ . 1 . 2]" 1
1400 1 60 GLU H 1 60 GLU HB3 . . 3.380 2.586 2.352 2.716 . 0 0 "[ . 1 . 2]" 1
1401 1 60 GLU H 1 60 GLU HG2 . . 4.940 4.548 4.042 4.890 . 0 0 "[ . 1 . 2]" 1
1402 1 60 GLU H 1 60 GLU QG . . 4.070 3.981 3.792 4.058 . 0 0 "[ . 1 . 2]" 1
1403 1 60 GLU H 1 60 GLU HG3 . . 4.940 4.459 4.249 4.791 . 0 0 "[ . 1 . 2]" 1
1404 1 60 GLU H 1 61 GLU H . . 4.650 4.274 4.176 4.430 . 0 0 "[ . 1 . 2]" 1
1405 1 60 GLU HB2 1 61 GLU H . . 4.530 4.182 3.993 4.250 . 0 0 "[ . 1 . 2]" 1
1406 1 60 GLU HB3 1 61 GLU H . . 4.930 4.324 4.211 4.408 . 0 0 "[ . 1 . 2]" 1
1407 1 60 GLU HB3 1 62 LEU MD2 . . 4.280 3.698 3.309 3.977 . 0 0 "[ . 1 . 2]" 1
1408 1 60 GLU QG 1 61 GLU H . . 4.120 2.896 2.596 3.238 . 0 0 "[ . 1 . 2]" 1
1409 1 60 GLU QG 1 62 LEU MD2 . . 3.790 2.825 2.236 3.322 . 0 0 "[ . 1 . 2]" 1
1410 1 60 GLU HG2 1 61 GLU H . . 4.810 4.125 3.080 4.666 . 0 0 "[ . 1 . 2]" 1
1411 1 60 GLU HG3 1 61 GLU H . . 4.810 3.009 2.640 3.486 . 0 0 "[ . 1 . 2]" 1
1412 1 61 GLU H 1 61 GLU HB2 . . 3.210 2.193 2.176 2.222 . 0 0 "[ . 1 . 2]" 1
1413 1 61 GLU H 1 61 GLU HB3 . . 3.560 2.920 2.877 2.951 . 0 0 "[ . 1 . 2]" 1
1414 1 61 GLU H 1 61 GLU HG2 . . 4.640 4.468 4.444 4.491 . 0 0 "[ . 1 . 2]" 1
1415 1 61 GLU H 1 61 GLU HG3 . . 4.220 4.118 4.083 4.172 . 0 0 "[ . 1 . 2]" 1
1416 1 61 GLU H 1 62 LEU H . . 4.780 4.595 4.579 4.622 . 0 0 "[ . 1 . 2]" 1
1417 1 61 GLU HA 1 61 GLU HG2 . . 3.750 2.582 2.522 2.646 . 0 0 "[ . 1 . 2]" 1
1418 1 61 GLU HA 1 61 GLU HG3 . . 3.900 2.623 2.563 2.694 . 0 0 "[ . 1 . 2]" 1
1419 1 61 GLU HA 1 62 LEU H . . 2.910 2.185 2.169 2.222 . 0 0 "[ . 1 . 2]" 1
1420 1 61 GLU HA 1 62 LEU QB . . 4.370 4.347 4.282 4.375 0.005 18 0 "[ . 1 . 2]" 1
1421 1 61 GLU HA 1 62 LEU MD1 . . 5.500 4.900 4.761 5.034 . 0 0 "[ . 1 . 2]" 1
1422 1 61 GLU HA 1 62 LEU MD2 . . 5.000 4.673 4.509 4.922 . 0 0 "[ . 1 . 2]" 1
1423 1 61 GLU HA 1 62 LEU HG . . 4.010 3.777 3.665 3.925 . 0 0 "[ . 1 . 2]" 1
1424 1 61 GLU HB2 1 62 LEU H . . 4.570 4.314 4.239 4.353 . 0 0 "[ . 1 . 2]" 1
1425 1 61 GLU HB3 1 61 GLU HG2 . . 2.800 2.555 2.522 2.593 . 0 0 "[ . 1 . 2]" 1
1426 1 61 GLU HB3 1 62 LEU H . . 3.840 3.795 3.674 3.839 . 0 0 "[ . 1 . 2]" 1
1427 1 61 GLU HG2 1 62 LEU H . . 3.970 2.547 2.320 2.654 . 0 0 "[ . 1 . 2]" 1
1428 1 61 GLU HG3 1 62 LEU H . . 3.760 3.686 3.591 3.758 . 0 0 "[ . 1 . 2]" 1
1429 1 62 LEU H 1 62 LEU QB . . 2.860 2.574 2.446 2.658 . 0 0 "[ . 1 . 2]" 1
1430 1 62 LEU H 1 62 LEU MD1 . . 4.090 3.977 3.808 4.086 . 0 0 "[ . 1 . 2]" 1
1431 1 62 LEU H 1 62 LEU MD2 . . 4.120 3.919 3.790 4.070 . 0 0 "[ . 1 . 2]" 1
1432 1 62 LEU H 1 62 LEU HG . . 3.590 2.999 2.850 3.152 . 0 0 "[ . 1 . 2]" 1
1433 1 62 LEU H 1 63 PRO HD2 . . 5.040 4.819 4.815 4.823 . 0 0 "[ . 1 . 2]" 1
1434 1 62 LEU H 1 63 PRO HD3 . . 5.300 4.960 4.915 5.010 . 0 0 "[ . 1 . 2]" 1
1435 1 62 LEU HA 1 62 LEU MD1 . . 3.940 3.901 3.876 3.926 . 0 0 "[ . 1 . 2]" 1
1436 1 62 LEU HA 1 62 LEU MD2 . . 3.070 2.218 2.037 2.344 . 0 0 "[ . 1 . 2]" 1
1437 1 62 LEU HA 1 62 LEU HG . . 4.110 3.046 2.923 3.123 . 0 0 "[ . 1 . 2]" 1
1438 1 62 LEU HA 1 63 PRO HD2 . . 3.150 2.366 2.336 2.389 . 0 0 "[ . 1 . 2]" 1
1439 1 62 LEU HA 1 63 PRO HD3 . . 3.080 2.288 2.278 2.296 . 0 0 "[ . 1 . 2]" 1
1440 1 62 LEU HA 1 63 PRO QG . . 4.030 3.981 3.962 3.996 . 0 0 "[ . 1 . 2]" 1
1441 1 62 LEU QB 1 62 LEU MD1 . . 2.990 2.079 2.019 2.100 . 0 0 "[ . 1 . 2]" 1
1442 1 62 LEU QB 1 62 LEU MD2 . . 2.820 2.200 2.142 2.281 . 0 0 "[ . 1 . 2]" 1
1443 1 62 LEU QB 1 63 PRO HA . . 4.990 4.533 4.518 4.547 . 0 0 "[ . 1 . 2]" 1
1444 1 62 LEU QB 1 63 PRO HD2 . . 3.070 2.040 2.001 2.085 . 0 0 "[ . 1 . 2]" 1
1445 1 62 LEU QB 1 63 PRO HD3 . . 3.430 3.398 3.368 3.431 0.001 18 0 "[ . 1 . 2]" 1
1446 1 62 LEU MD1 1 63 PRO HD2 . . 4.240 3.972 3.859 4.104 . 0 0 "[ . 1 . 2]" 1
1447 1 62 LEU MD2 1 63 PRO HD2 . . 3.370 2.519 2.226 2.696 . 0 0 "[ . 1 . 2]" 1
1448 1 62 LEU MD2 1 63 PRO HD3 . . 3.540 3.265 2.897 3.474 . 0 0 "[ . 1 . 2]" 1
1449 1 62 LEU MD2 1 63 PRO QG . . 4.280 3.999 3.781 4.120 . 0 0 "[ . 1 . 2]" 1
1450 1 62 LEU HG 1 63 PRO HD2 . . 4.530 4.459 4.324 4.524 . 0 0 "[ . 1 . 2]" 1
1451 1 62 LEU HG 1 63 PRO HD3 . . 5.360 5.175 5.031 5.259 . 0 0 "[ . 1 . 2]" 1
1452 1 65 ASN QB 1 65 ASN QD . . 3.030 2.185 2.065 2.473 . 0 0 "[ . 1 . 2]" 1
1453 1 65 ASN QB 1 66 ALA HA . . 4.710 4.386 3.770 4.707 . 0 0 "[ . 1 . 2]" 1
1454 1 66 ALA MB 1 67 GLY QA . . 4.740 3.743 3.494 4.223 . 0 0 "[ . 1 . 2]" 1
1455 1 70 ALA MB 1 71 THR H . . 4.700 2.931 2.229 3.694 . 0 0 "[ . 1 . 2]" 1
1456 1 70 ALA MB 1 71 THR HA . . 4.880 4.161 3.597 4.570 . 0 0 "[ . 1 . 2]" 1
1457 1 71 THR H 1 71 THR MG . . 4.790 3.014 1.930 4.057 . 0 0 "[ . 1 . 2]" 1
1458 1 71 THR HA 1 71 THR MG . . 3.280 2.505 2.140 3.206 . 0 0 "[ . 1 . 2]" 1
1459 1 71 THR HA 1 72 LYS QG . . 5.500 4.634 3.434 5.531 0.031 18 0 "[ . 1 . 2]" 1
1460 1 71 THR MG 1 72 LYS H . . 5.290 3.194 1.886 4.382 . 0 0 "[ . 1 . 2]" 1
1461 1 72 LYS H 1 72 LYS QD . . 5.350 4.094 1.892 5.066 . 0 0 "[ . 1 . 2]" 1
1462 1 72 LYS H 1 72 LYS QG . . 5.020 3.209 1.946 4.221 . 0 0 "[ . 1 . 2]" 1
1463 1 72 LYS HA 1 72 LYS QD . . 4.300 3.219 2.025 4.229 . 0 0 "[ . 1 . 2]" 1
1464 1 72 LYS HA 1 73 ALA H . . 3.240 2.353 2.141 3.000 . 0 0 "[ . 1 . 2]" 1
1465 1 72 LYS QD 1 73 ALA H . . 5.500 3.780 2.373 5.414 . 0 0 "[ . 1 . 2]" 1
1466 1 72 LYS QE 1 73 ALA H . . 5.500 4.768 3.238 5.497 . 0 0 "[ . 1 . 2]" 1
1467 1 76 PRO HA 1 77 SER H . . 3.560 2.628 2.164 3.555 . 0 0 "[ . 1 . 2]" 1
1468 1 76 PRO HB2 1 77 SER QB . . 3.830 3.647 3.266 3.819 . 0 0 "[ . 1 . 2]" 1
1469 1 76 PRO HB3 1 77 SER H . . 4.530 3.747 3.244 4.480 . 0 0 "[ . 1 . 2]" 1
1470 1 77 SER H 1 77 SER QB . . 3.880 2.586 2.163 3.323 . 0 0 "[ . 1 . 2]" 1
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