NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
601017 |
2n5l   |
25720 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n5l
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 1098
_Distance_constraint_stats_list.Viol_count 782
_Distance_constraint_stats_list.Viol_total 205.993
_Distance_constraint_stats_list.Viol_max 0.093
_Distance_constraint_stats_list.Viol_rms 0.0037
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0132
_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 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLY 0.005 0.005 20 0 "[ . 1 . 2]"
1 6 ASP 0.043 0.011 7 0 "[ . 1 . 2]"
1 7 LEU 0.096 0.011 7 0 "[ . 1 . 2]"
1 8 ALA 0.028 0.009 16 0 "[ . 1 . 2]"
1 9 LYS 0.071 0.016 15 0 "[ . 1 . 2]"
1 10 GLU 0.270 0.028 16 0 "[ . 1 . 2]"
1 11 ARG 0.837 0.038 9 0 "[ . 1 . 2]"
1 12 ALA 0.110 0.038 9 0 "[ . 1 . 2]"
1 13 GLY 0.274 0.022 16 0 "[ . 1 . 2]"
1 14 VAL 1.323 0.093 14 0 "[ . 1 . 2]"
1 15 TYR 0.518 0.025 14 0 "[ . 1 . 2]"
1 16 THR 0.201 0.014 5 0 "[ . 1 . 2]"
1 17 LYS 0.789 0.039 5 0 "[ . 1 . 2]"
1 18 LEU 0.322 0.035 16 0 "[ . 1 . 2]"
1 19 CYS 0.721 0.056 14 0 "[ . 1 . 2]"
1 20 GLY 0.559 0.039 5 0 "[ . 1 . 2]"
1 21 VAL 1.569 0.079 16 0 "[ . 1 . 2]"
1 22 PHE 0.254 0.042 16 0 "[ . 1 . 2]"
1 23 PRO 0.492 0.028 5 0 "[ . 1 . 2]"
1 24 PRO 0.395 0.028 5 0 "[ . 1 . 2]"
1 25 HIS 0.110 0.014 2 0 "[ . 1 . 2]"
1 26 LEU 0.260 0.016 2 0 "[ . 1 . 2]"
1 27 VAL 0.817 0.056 14 0 "[ . 1 . 2]"
1 28 GLU 0.587 0.025 14 0 "[ . 1 . 2]"
1 29 ALA 0.115 0.016 14 0 "[ . 1 . 2]"
1 30 VAL 0.187 0.021 14 0 "[ . 1 . 2]"
1 31 MET 0.313 0.030 10 0 "[ . 1 . 2]"
1 32 ARG 0.212 0.016 14 0 "[ . 1 . 2]"
1 33 ARG 0.039 0.029 16 0 "[ . 1 . 2]"
1 34 PHE 0.138 0.029 16 0 "[ . 1 . 2]"
1 35 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLN 0.672 0.054 3 0 "[ . 1 . 2]"
1 37 LEU 1.935 0.063 19 0 "[ . 1 . 2]"
1 38 LEU 0.986 0.041 2 0 "[ . 1 . 2]"
1 39 ASP 0.142 0.024 4 0 "[ . 1 . 2]"
1 40 PRO 1.397 0.093 14 0 "[ . 1 . 2]"
1 41 GLN 0.985 0.079 16 0 "[ . 1 . 2]"
1 42 GLN 1.197 0.063 19 0 "[ . 1 . 2]"
1 43 LEU 0.343 0.027 10 0 "[ . 1 . 2]"
1 44 ALA 0.092 0.014 19 0 "[ . 1 . 2]"
1 45 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLU 0.021 0.010 3 0 "[ . 1 . 2]"
1 47 ILE 0.092 0.013 15 0 "[ . 1 . 2]"
1 48 LEU 0.036 0.006 16 0 "[ . 1 . 2]"
1 49 SER 0.019 0.005 4 0 "[ . 1 . 2]"
1 50 TYR 0.047 0.012 16 0 "[ . 1 . 2]"
1 51 LYS 0.007 0.004 8 0 "[ . 1 . 2]"
1 52 SER 0.012 0.006 16 0 "[ . 1 . 2]"
1 53 GLN 0.050 0.014 20 0 "[ . 1 . 2]"
1 54 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LEU 0.027 0.026 7 0 "[ . 1 . 2]"
1 56 SER 0.026 0.026 7 0 "[ . 1 . 2]"
1 57 GLU 0.004 0.002 20 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 1 GLY QA 1 2 PRO QD . . 3.040 2.075 1.966 2.210 . 0 0 "[ . 1 . 2]" 1
2 1 3 HIS HB2 1 4 MET H . . 5.500 3.342 1.941 4.317 . 0 0 "[ . 1 . 2]" 1
3 1 3 HIS HB3 1 4 MET H . . 5.500 3.272 1.965 4.289 . 0 0 "[ . 1 . 2]" 1
4 1 4 MET H 1 4 MET HG2 . . 5.500 3.513 2.380 4.659 . 0 0 "[ . 1 . 2]" 1
5 1 4 MET H 1 4 MET HG3 . . 5.500 3.179 1.971 4.131 . 0 0 "[ . 1 . 2]" 1
6 1 4 MET QB 1 5 GLY H . . 4.450 2.652 1.938 3.507 . 0 0 "[ . 1 . 2]" 1
7 1 4 MET QB 1 5 GLY QA . . 4.000 3.681 3.367 3.939 . 0 0 "[ . 1 . 2]" 1
8 1 4 MET HB2 1 5 GLY H . . 5.080 3.759 2.640 4.458 . 0 0 "[ . 1 . 2]" 1
9 1 4 MET HB2 1 5 GLY QA . . 4.730 4.421 4.072 4.702 . 0 0 "[ . 1 . 2]" 1
10 1 4 MET HB3 1 5 GLY H . . 5.080 2.750 1.951 3.700 . 0 0 "[ . 1 . 2]" 1
11 1 4 MET HB3 1 5 GLY QA . . 4.730 3.959 3.464 4.463 . 0 0 "[ . 1 . 2]" 1
12 1 5 GLY H 1 6 ASP H . . 4.780 2.884 1.956 4.185 . 0 0 "[ . 1 . 2]" 1
13 1 5 GLY H 1 6 ASP QB . . 5.340 4.723 3.587 5.345 0.005 20 0 "[ . 1 . 2]" 1
14 1 5 GLY QA 1 6 ASP H . . 3.180 2.492 2.124 2.841 . 0 0 "[ . 1 . 2]" 1
15 1 5 GLY QA 1 6 ASP HA . . 4.170 4.050 3.945 4.160 . 0 0 "[ . 1 . 2]" 1
16 1 5 GLY QA 1 8 ALA MB . . 4.390 3.657 3.191 4.242 . 0 0 "[ . 1 . 2]" 1
17 1 6 ASP H 1 6 ASP HB2 . . 3.660 2.932 2.328 3.643 . 0 0 "[ . 1 . 2]" 1
18 1 6 ASP H 1 6 ASP QB . . 3.170 2.687 2.217 3.059 . 0 0 "[ . 1 . 2]" 1
19 1 6 ASP H 1 6 ASP HB3 . . 3.660 3.392 2.734 3.623 . 0 0 "[ . 1 . 2]" 1
20 1 6 ASP H 1 7 LEU H . . 2.700 2.350 1.923 2.640 . 0 0 "[ . 1 . 2]" 1
21 1 6 ASP HA 1 7 LEU H . . 3.510 3.480 3.454 3.521 0.011 7 0 "[ . 1 . 2]" 1
22 1 6 ASP HA 1 8 ALA H . . 5.500 3.746 3.625 3.988 . 0 0 "[ . 1 . 2]" 1
23 1 6 ASP HA 1 9 LYS H . . 4.810 3.594 3.140 3.843 . 0 0 "[ . 1 . 2]" 1
24 1 6 ASP HA 1 9 LYS QB . . 4.090 3.623 2.684 4.055 . 0 0 "[ . 1 . 2]" 1
25 1 6 ASP QB 1 9 LYS H . . 4.680 4.536 4.405 4.684 0.004 13 0 "[ . 1 . 2]" 1
26 1 6 ASP QB 1 9 LYS QB . . 4.530 4.034 3.654 4.375 . 0 0 "[ . 1 . 2]" 1
27 1 6 ASP HB2 1 7 LEU H . . 4.390 3.217 2.711 3.903 . 0 0 "[ . 1 . 2]" 1
28 1 6 ASP HB2 1 9 LYS H . . 5.500 5.179 4.635 5.506 0.006 13 0 "[ . 1 . 2]" 1
29 1 6 ASP HB3 1 7 LEU H . . 4.390 3.970 3.008 4.271 . 0 0 "[ . 1 . 2]" 1
30 1 6 ASP HB3 1 9 LYS H . . 5.500 5.121 4.709 5.504 0.004 11 0 "[ . 1 . 2]" 1
31 1 7 LEU H 1 7 LEU HB2 . . 3.660 2.184 2.074 2.253 . 0 0 "[ . 1 . 2]" 1
32 1 7 LEU H 1 7 LEU QB . . 2.960 2.160 2.056 2.229 . 0 0 "[ . 1 . 2]" 1
33 1 7 LEU H 1 7 LEU HB3 . . 3.660 3.429 2.990 3.533 . 0 0 "[ . 1 . 2]" 1
34 1 7 LEU H 1 7 LEU QD . . 4.150 2.719 1.936 3.732 . 0 0 "[ . 1 . 2]" 1
35 1 7 LEU H 1 7 LEU HG . . 4.070 3.637 2.872 4.037 . 0 0 "[ . 1 . 2]" 1
36 1 7 LEU H 1 8 ALA H . . 3.410 2.723 2.613 2.792 . 0 0 "[ . 1 . 2]" 1
37 1 7 LEU H 1 8 ALA MB . . 4.540 4.329 4.212 4.430 . 0 0 "[ . 1 . 2]" 1
38 1 7 LEU H 1 9 LYS H . . 4.490 4.365 4.078 4.489 . 0 0 "[ . 1 . 2]" 1
39 1 7 LEU HA 1 7 LEU MD1 . . 3.790 2.870 1.979 3.801 0.011 7 0 "[ . 1 . 2]" 1
40 1 7 LEU HA 1 7 LEU QD . . 3.050 2.089 1.866 2.400 . 0 0 "[ . 1 . 2]" 1
41 1 7 LEU HA 1 7 LEU MD2 . . 3.790 2.324 1.961 2.500 . 0 0 "[ . 1 . 2]" 1
42 1 7 LEU HA 1 7 LEU HG . . 4.170 3.209 2.480 3.703 . 0 0 "[ . 1 . 2]" 1
43 1 7 LEU HA 1 8 ALA H . . 3.530 3.476 3.430 3.527 . 0 0 "[ . 1 . 2]" 1
44 1 7 LEU HA 1 9 LYS H . . 4.670 3.883 3.640 4.157 . 0 0 "[ . 1 . 2]" 1
45 1 7 LEU HA 1 10 GLU H . . 3.510 3.189 3.007 3.446 . 0 0 "[ . 1 . 2]" 1
46 1 7 LEU HA 1 10 GLU QB . . 3.440 2.628 2.283 3.121 . 0 0 "[ . 1 . 2]" 1
47 1 7 LEU HA 1 10 GLU QG . . 4.080 3.987 3.541 4.086 0.006 15 0 "[ . 1 . 2]" 1
48 1 7 LEU QB 1 7 LEU QD . . 2.520 1.966 1.834 2.065 . 0 0 "[ . 1 . 2]" 1
49 1 7 LEU QB 1 7 LEU HG . . 2.450 2.261 2.168 2.458 0.008 4 0 "[ . 1 . 2]" 1
50 1 7 LEU QB 1 8 ALA H . . 3.390 2.875 2.618 3.054 . 0 0 "[ . 1 . 2]" 1
51 1 7 LEU HB2 1 7 LEU MD1 . . 3.260 2.782 2.039 3.196 . 0 0 "[ . 1 . 2]" 1
52 1 7 LEU HB2 1 7 LEU MD2 . . 3.260 2.738 2.301 3.202 . 0 0 "[ . 1 . 2]" 1
53 1 7 LEU HB2 1 8 ALA H . . 3.920 3.154 2.977 3.556 . 0 0 "[ . 1 . 2]" 1
54 1 7 LEU HB3 1 7 LEU MD1 . . 3.260 2.329 2.203 2.643 . 0 0 "[ . 1 . 2]" 1
55 1 7 LEU HB3 1 7 LEU MD2 . . 3.260 2.790 2.217 3.197 . 0 0 "[ . 1 . 2]" 1
56 1 7 LEU HB3 1 8 ALA H . . 3.920 3.452 2.697 3.708 . 0 0 "[ . 1 . 2]" 1
57 1 7 LEU QD 1 8 ALA H . . 4.710 4.000 3.686 4.296 . 0 0 "[ . 1 . 2]" 1
58 1 7 LEU QD 1 10 GLU H . . 4.790 4.005 3.643 4.233 . 0 0 "[ . 1 . 2]" 1
59 1 7 LEU QD 1 10 GLU HA . . 5.390 5.090 4.847 5.394 0.004 16 0 "[ . 1 . 2]" 1
60 1 7 LEU QD 1 10 GLU QB . . 4.040 2.626 2.368 2.958 . 0 0 "[ . 1 . 2]" 1
61 1 7 LEU QD 1 10 GLU QG . . 3.820 3.485 3.136 3.817 . 0 0 "[ . 1 . 2]" 1
62 1 7 LEU MD1 1 8 ALA H . . 5.500 4.784 4.656 5.059 . 0 0 "[ . 1 . 2]" 1
63 1 7 LEU MD2 1 8 ALA H . . 5.500 4.305 3.864 4.821 . 0 0 "[ . 1 . 2]" 1
64 1 7 LEU HG 1 8 ALA H . . 5.500 5.194 4.899 5.386 . 0 0 "[ . 1 . 2]" 1
65 1 8 ALA H 1 8 ALA MB . . 2.940 2.128 2.024 2.234 . 0 0 "[ . 1 . 2]" 1
66 1 8 ALA H 1 9 LYS H . . 2.790 2.714 2.436 2.791 0.001 3 0 "[ . 1 . 2]" 1
67 1 8 ALA H 1 9 LYS QB . . 4.630 4.480 4.278 4.639 0.009 16 0 "[ . 1 . 2]" 1
68 1 8 ALA H 1 10 GLU H . . 4.780 4.210 3.971 4.515 . 0 0 "[ . 1 . 2]" 1
69 1 8 ALA HA 1 10 GLU H . . 4.940 4.288 4.003 4.605 . 0 0 "[ . 1 . 2]" 1
70 1 8 ALA HA 1 11 ARG H . . 3.980 3.878 3.607 3.985 0.005 15 0 "[ . 1 . 2]" 1
71 1 8 ALA HA 1 11 ARG HB2 . . 4.370 4.122 3.756 4.374 0.004 10 0 "[ . 1 . 2]" 1
72 1 8 ALA HA 1 11 ARG QD . . 5.450 4.818 4.065 5.454 0.004 11 0 "[ . 1 . 2]" 1
73 1 8 ALA HA 1 12 ALA H . . 4.480 4.202 3.830 4.476 . 0 0 "[ . 1 . 2]" 1
74 1 8 ALA MB 1 9 LYS H . . 3.120 2.781 2.614 2.908 . 0 0 "[ . 1 . 2]" 1
75 1 8 ALA MB 1 10 GLU H . . 4.750 4.558 4.450 4.745 . 0 0 "[ . 1 . 2]" 1
76 1 9 LYS H 1 9 LYS QB . . 2.990 2.220 2.102 2.540 . 0 0 "[ . 1 . 2]" 1
77 1 9 LYS H 1 9 LYS HG2 . . 4.770 4.464 2.717 4.660 . 0 0 "[ . 1 . 2]" 1
78 1 9 LYS H 1 9 LYS QG . . 4.190 3.908 2.339 4.071 . 0 0 "[ . 1 . 2]" 1
79 1 9 LYS H 1 9 LYS HG3 . . 4.770 4.327 2.552 4.678 . 0 0 "[ . 1 . 2]" 1
80 1 9 LYS H 1 10 GLU H . . 3.290 2.528 2.376 2.736 . 0 0 "[ . 1 . 2]" 1
81 1 9 LYS H 1 10 GLU QG . . 5.500 5.305 4.882 5.505 0.005 4 0 "[ . 1 . 2]" 1
82 1 9 LYS H 1 11 ARG H . . 4.690 4.529 4.373 4.656 . 0 0 "[ . 1 . 2]" 1
83 1 9 LYS HA 1 9 LYS QD . . 4.020 3.002 1.985 3.984 . 0 0 "[ . 1 . 2]" 1
84 1 9 LYS HA 1 9 LYS HG2 . . 3.880 3.313 2.308 3.801 . 0 0 "[ . 1 . 2]" 1
85 1 9 LYS HA 1 9 LYS QG . . 3.360 2.450 2.102 2.898 . 0 0 "[ . 1 . 2]" 1
86 1 9 LYS HA 1 9 LYS HG3 . . 3.880 2.676 2.132 3.636 . 0 0 "[ . 1 . 2]" 1
87 1 9 LYS HA 1 12 ALA H . . 3.830 3.689 3.515 3.812 . 0 0 "[ . 1 . 2]" 1
88 1 9 LYS HA 1 12 ALA MB . . 3.180 2.501 2.348 2.634 . 0 0 "[ . 1 . 2]" 1
89 1 9 LYS QB 1 9 LYS QD . . 3.240 2.254 2.009 2.637 . 0 0 "[ . 1 . 2]" 1
90 1 9 LYS QB 1 9 LYS QE . . 4.150 2.926 1.955 3.811 . 0 0 "[ . 1 . 2]" 1
91 1 9 LYS QB 1 10 GLU H . . 3.370 2.710 2.417 2.895 . 0 0 "[ . 1 . 2]" 1
92 1 9 LYS QE 1 9 LYS HG2 . . 3.810 2.524 2.109 3.235 . 0 0 "[ . 1 . 2]" 1
93 1 9 LYS QE 1 9 LYS QG . . 3.310 2.250 2.045 2.495 . 0 0 "[ . 1 . 2]" 1
94 1 9 LYS QE 1 9 LYS HG3 . . 3.810 2.826 2.100 3.463 . 0 0 "[ . 1 . 2]" 1
95 1 9 LYS QG 1 10 GLU H . . 4.720 4.107 3.726 4.538 . 0 0 "[ . 1 . 2]" 1
96 1 9 LYS QG 1 10 GLU QG . . 5.340 5.036 4.459 5.356 0.016 15 0 "[ . 1 . 2]" 1
97 1 9 LYS HG2 1 10 GLU H . . 5.500 4.676 4.153 5.143 . 0 0 "[ . 1 . 2]" 1
98 1 9 LYS HG3 1 10 GLU H . . 5.500 4.655 3.894 5.256 . 0 0 "[ . 1 . 2]" 1
99 1 10 GLU H 1 10 GLU QB . . 3.110 2.078 2.034 2.189 . 0 0 "[ . 1 . 2]" 1
100 1 10 GLU H 1 10 GLU QG . . 3.580 3.260 2.877 3.588 0.008 4 0 "[ . 1 . 2]" 1
101 1 10 GLU H 1 11 ARG H . . 3.370 2.808 2.615 2.920 . 0 0 "[ . 1 . 2]" 1
102 1 10 GLU H 1 12 ALA H . . 4.470 3.852 3.595 4.000 . 0 0 "[ . 1 . 2]" 1
103 1 10 GLU H 1 12 ALA MB . . 5.450 4.371 4.234 4.566 . 0 0 "[ . 1 . 2]" 1
104 1 10 GLU HA 1 10 GLU QG . . 3.340 2.391 2.059 2.678 . 0 0 "[ . 1 . 2]" 1
105 1 10 GLU HA 1 13 GLY H . . 3.950 3.768 3.592 3.858 . 0 0 "[ . 1 . 2]" 1
106 1 10 GLU QB 1 11 ARG H . . 3.420 2.360 2.318 2.425 . 0 0 "[ . 1 . 2]" 1
107 1 10 GLU QB 1 12 ALA H . . 4.520 4.331 4.230 4.404 . 0 0 "[ . 1 . 2]" 1
108 1 10 GLU QB 1 14 VAL MG2 . . 3.320 2.732 2.522 2.954 . 0 0 "[ . 1 . 2]" 1
109 1 10 GLU QB 1 38 LEU MD2 . . 4.470 4.045 3.742 4.375 . 0 0 "[ . 1 . 2]" 1
110 1 10 GLU QG 1 11 ARG H . . 4.420 4.242 4.214 4.301 . 0 0 "[ . 1 . 2]" 1
111 1 10 GLU QG 1 14 VAL MG2 . . 3.910 3.359 2.899 3.785 . 0 0 "[ . 1 . 2]" 1
112 1 10 GLU QG 1 38 LEU HB2 . . 4.680 4.474 4.246 4.684 0.004 15 0 "[ . 1 . 2]" 1
113 1 10 GLU QG 1 38 LEU HB3 . . 5.500 5.509 5.500 5.528 0.028 16 0 "[ . 1 . 2]" 1
114 1 11 ARG H 1 11 ARG HB2 . . 3.230 2.354 2.163 2.533 . 0 0 "[ . 1 . 2]" 1
115 1 11 ARG H 1 11 ARG HB3 . . 3.310 2.713 2.516 2.949 . 0 0 "[ . 1 . 2]" 1
116 1 11 ARG H 1 11 ARG HG2 . . 4.740 4.538 4.463 4.623 . 0 0 "[ . 1 . 2]" 1
117 1 11 ARG H 1 11 ARG HG3 . . 4.740 4.297 4.089 4.430 . 0 0 "[ . 1 . 2]" 1
118 1 11 ARG H 1 12 ALA H . . 3.350 2.754 2.659 2.797 . 0 0 "[ . 1 . 2]" 1
119 1 11 ARG H 1 12 ALA MB . . 5.500 4.346 4.249 4.422 . 0 0 "[ . 1 . 2]" 1
120 1 11 ARG H 1 13 GLY H . . 5.100 4.759 4.602 4.832 . 0 0 "[ . 1 . 2]" 1
121 1 11 ARG H 1 31 MET ME . . 5.500 5.119 4.820 5.386 . 0 0 "[ . 1 . 2]" 1
122 1 11 ARG H 1 38 LEU HB2 . . 4.290 3.902 3.498 4.176 . 0 0 "[ . 1 . 2]" 1
123 1 11 ARG H 1 38 LEU HG . . 4.980 4.357 3.996 4.760 . 0 0 "[ . 1 . 2]" 1
124 1 11 ARG HA 1 11 ARG QD . . 4.430 3.859 3.663 4.083 . 0 0 "[ . 1 . 2]" 1
125 1 11 ARG HA 1 11 ARG HG2 . . 3.740 3.137 2.576 3.485 . 0 0 "[ . 1 . 2]" 1
126 1 11 ARG HA 1 11 ARG QG . . 3.260 2.348 2.163 2.440 . 0 0 "[ . 1 . 2]" 1
127 1 11 ARG HA 1 11 ARG HG3 . . 3.740 2.451 2.213 2.726 . 0 0 "[ . 1 . 2]" 1
128 1 11 ARG HA 1 14 VAL H . . 3.900 3.776 3.685 3.913 0.013 16 0 "[ . 1 . 2]" 1
129 1 11 ARG HA 1 14 VAL HB . . 3.490 2.410 2.261 2.686 . 0 0 "[ . 1 . 2]" 1
130 1 11 ARG HA 1 14 VAL MG1 . . 4.130 3.716 3.547 3.973 . 0 0 "[ . 1 . 2]" 1
131 1 11 ARG HA 1 14 VAL MG2 . . 3.940 3.233 3.089 3.425 . 0 0 "[ . 1 . 2]" 1
132 1 11 ARG HA 1 15 TYR H . . 4.640 3.114 2.947 3.382 . 0 0 "[ . 1 . 2]" 1
133 1 11 ARG HA 1 38 LEU HB2 . . 4.180 3.439 3.315 3.659 . 0 0 "[ . 1 . 2]" 1
134 1 11 ARG HA 1 38 LEU MD1 . . 4.220 4.141 3.874 4.239 0.019 10 0 "[ . 1 . 2]" 1
135 1 11 ARG HA 1 38 LEU MD2 . . 4.510 4.507 4.337 4.548 0.038 1 0 "[ . 1 . 2]" 1
136 1 11 ARG HB2 1 11 ARG QD . . 3.730 2.361 2.080 2.588 . 0 0 "[ . 1 . 2]" 1
137 1 11 ARG HB2 1 11 ARG HE . . 4.480 3.737 2.798 4.504 0.024 16 0 "[ . 1 . 2]" 1
138 1 11 ARG HB2 1 12 ALA H . . 3.950 3.882 3.714 3.988 0.038 9 0 "[ . 1 . 2]" 1
139 1 11 ARG HB3 1 11 ARG QD . . 3.400 2.774 2.245 3.211 . 0 0 "[ . 1 . 2]" 1
140 1 11 ARG HB3 1 11 ARG HE . . 4.170 3.286 2.258 4.191 0.021 16 0 "[ . 1 . 2]" 1
141 1 11 ARG HB3 1 11 ARG QG . . 2.530 2.290 2.214 2.454 . 0 0 "[ . 1 . 2]" 1
142 1 11 ARG HB3 1 12 ALA H . . 3.710 2.819 2.693 3.059 . 0 0 "[ . 1 . 2]" 1
143 1 11 ARG HB3 1 13 GLY H . . 5.500 5.511 5.495 5.522 0.022 16 0 "[ . 1 . 2]" 1
144 1 11 ARG QD 1 31 MET ME . . 4.740 2.775 1.960 3.559 . 0 0 "[ . 1 . 2]" 1
145 1 11 ARG QD 1 38 LEU MD1 . . 3.400 3.056 2.443 3.403 0.003 3 0 "[ . 1 . 2]" 1
146 1 11 ARG QD 1 38 LEU HG . . 3.880 2.581 1.995 3.251 . 0 0 "[ . 1 . 2]" 1
147 1 11 ARG HE 1 38 LEU MD1 . . 5.360 5.063 4.167 5.364 0.004 18 0 "[ . 1 . 2]" 1
148 1 11 ARG QG 1 15 TYR H . . 5.030 3.682 3.404 4.124 . 0 0 "[ . 1 . 2]" 1
149 1 11 ARG QG 1 31 MET ME . . 3.580 1.888 1.811 1.955 . 0 0 "[ . 1 . 2]" 1
150 1 12 ALA H 1 12 ALA MB . . 3.000 2.117 2.026 2.235 . 0 0 "[ . 1 . 2]" 1
151 1 12 ALA H 1 13 GLY H . . 3.440 2.897 2.664 3.015 . 0 0 "[ . 1 . 2]" 1
152 1 12 ALA HA 1 15 TYR H . . 4.530 4.421 4.281 4.519 . 0 0 "[ . 1 . 2]" 1
153 1 12 ALA HA 1 15 TYR HB2 . . 4.870 4.676 4.389 4.816 . 0 0 "[ . 1 . 2]" 1
154 1 12 ALA HA 1 15 TYR HB3 . . 3.890 3.642 3.483 3.788 . 0 0 "[ . 1 . 2]" 1
155 1 12 ALA HA 1 15 TYR QD . . 4.990 4.824 4.648 4.985 . 0 0 "[ . 1 . 2]" 1
156 1 12 ALA MB 1 13 GLY H . . 3.590 2.318 2.120 2.505 . 0 0 "[ . 1 . 2]" 1
157 1 12 ALA MB 1 13 GLY HA2 . . 5.130 3.738 3.659 3.819 . 0 0 "[ . 1 . 2]" 1
158 1 12 ALA MB 1 13 GLY HA3 . . 5.500 3.937 3.833 4.058 . 0 0 "[ . 1 . 2]" 1
159 1 12 ALA MB 1 14 VAL H . . 4.590 4.427 4.326 4.557 . 0 0 "[ . 1 . 2]" 1
160 1 12 ALA MB 1 15 TYR H . . 5.500 5.115 5.076 5.172 . 0 0 "[ . 1 . 2]" 1
161 1 13 GLY H 1 14 VAL H . . 3.760 2.611 2.555 2.669 . 0 0 "[ . 1 . 2]" 1
162 1 13 GLY H 1 14 VAL HA . . 5.240 5.211 5.162 5.260 0.020 4 0 "[ . 1 . 2]" 1
163 1 13 GLY H 1 14 VAL HB . . 4.800 4.766 4.731 4.813 0.013 3 0 "[ . 1 . 2]" 1
164 1 13 GLY H 1 14 VAL MG2 . . 5.190 4.091 3.997 4.206 . 0 0 "[ . 1 . 2]" 1
165 1 13 GLY H 1 15 TYR H . . 4.680 4.421 4.293 4.502 . 0 0 "[ . 1 . 2]" 1
166 1 13 GLY HA2 1 16 THR H . . 4.200 3.556 3.516 3.590 . 0 0 "[ . 1 . 2]" 1
167 1 13 GLY HA2 1 16 THR HB . . 4.560 3.031 2.792 3.284 . 0 0 "[ . 1 . 2]" 1
168 1 13 GLY HA2 1 16 THR MG . . 5.500 4.052 3.952 4.194 . 0 0 "[ . 1 . 2]" 1
169 1 13 GLY HA2 1 17 LYS H . . 4.750 4.611 4.458 4.755 0.005 16 0 "[ . 1 . 2]" 1
170 1 13 GLY HA3 1 14 VAL MG2 . . 4.510 3.968 3.911 4.039 . 0 0 "[ . 1 . 2]" 1
171 1 13 GLY HA3 1 16 THR H . . 5.500 4.681 4.634 4.732 . 0 0 "[ . 1 . 2]" 1
172 1 13 GLY HA3 1 16 THR HB . . 4.570 4.368 4.225 4.560 . 0 0 "[ . 1 . 2]" 1
173 1 13 GLY HA3 1 16 THR MG . . 5.500 5.350 5.269 5.487 . 0 0 "[ . 1 . 2]" 1
174 1 14 VAL H 1 14 VAL HB . . 3.220 2.576 2.552 2.626 . 0 0 "[ . 1 . 2]" 1
175 1 14 VAL H 1 14 VAL MG1 . . 3.960 3.765 3.764 3.766 . 0 0 "[ . 1 . 2]" 1
176 1 14 VAL H 1 14 VAL MG2 . . 3.230 2.115 2.030 2.213 . 0 0 "[ . 1 . 2]" 1
177 1 14 VAL H 1 15 TYR H . . 3.440 2.957 2.921 2.971 . 0 0 "[ . 1 . 2]" 1
178 1 14 VAL H 1 15 TYR HB2 . . 5.480 5.378 5.304 5.433 . 0 0 "[ . 1 . 2]" 1
179 1 14 VAL H 1 15 TYR HB3 . . 5.340 5.017 4.999 5.041 . 0 0 "[ . 1 . 2]" 1
180 1 14 VAL HA 1 14 VAL MG1 . . 3.500 2.342 2.286 2.385 . 0 0 "[ . 1 . 2]" 1
181 1 14 VAL HA 1 14 VAL MG2 . . 3.250 2.367 2.316 2.408 . 0 0 "[ . 1 . 2]" 1
182 1 14 VAL HA 1 17 LYS H . . 4.040 3.589 3.536 3.646 . 0 0 "[ . 1 . 2]" 1
183 1 14 VAL HA 1 17 LYS QB . . 4.000 3.085 3.006 3.163 . 0 0 "[ . 1 . 2]" 1
184 1 14 VAL HA 1 17 LYS HD2 . . 4.940 4.919 4.756 4.954 0.014 5 0 "[ . 1 . 2]" 1
185 1 14 VAL HA 1 17 LYS HD3 . . 3.870 3.727 3.568 3.873 0.003 2 0 "[ . 1 . 2]" 1
186 1 14 VAL HA 1 18 LEU H . . 4.710 4.321 4.120 4.450 . 0 0 "[ . 1 . 2]" 1
187 1 14 VAL HA 1 18 LEU QD . . 5.030 3.724 3.345 4.503 . 0 0 "[ . 1 . 2]" 1
188 1 14 VAL HA 1 40 PRO HA . . 5.120 4.832 4.564 5.063 . 0 0 "[ . 1 . 2]" 1
189 1 14 VAL HA 1 40 PRO QB . . 3.940 3.631 3.466 3.743 . 0 0 "[ . 1 . 2]" 1
190 1 14 VAL HA 1 40 PRO HG2 . . 5.500 5.556 5.523 5.593 0.093 14 0 "[ . 1 . 2]" 1
191 1 14 VAL HA 1 40 PRO HG3 . . 4.700 4.073 3.993 4.163 . 0 0 "[ . 1 . 2]" 1
192 1 14 VAL HB 1 15 TYR H . . 3.590 2.282 2.249 2.351 . 0 0 "[ . 1 . 2]" 1
193 1 14 VAL HB 1 15 TYR HA . . 4.280 4.199 4.151 4.231 . 0 0 "[ . 1 . 2]" 1
194 1 14 VAL MG1 1 15 TYR H . . 4.120 3.117 3.056 3.261 . 0 0 "[ . 1 . 2]" 1
195 1 14 VAL MG1 1 15 TYR HA . . 4.190 3.311 3.234 3.494 . 0 0 "[ . 1 . 2]" 1
196 1 14 VAL MG1 1 15 TYR HB2 . . 5.500 4.257 4.155 4.450 . 0 0 "[ . 1 . 2]" 1
197 1 14 VAL MG1 1 15 TYR HB3 . . 5.500 4.996 4.904 5.152 . 0 0 "[ . 1 . 2]" 1
198 1 14 VAL MG1 1 17 LYS H . . 5.230 4.490 4.383 4.587 . 0 0 "[ . 1 . 2]" 1
199 1 14 VAL MG1 1 17 LYS QB . . 5.500 3.850 3.775 3.947 . 0 0 "[ . 1 . 2]" 1
200 1 14 VAL MG1 1 18 LEU HB2 . . 4.420 3.865 3.551 4.011 . 0 0 "[ . 1 . 2]" 1
201 1 14 VAL MG1 1 38 LEU HA . . 4.120 3.649 3.480 4.021 . 0 0 "[ . 1 . 2]" 1
202 1 14 VAL MG1 1 38 LEU HB3 . . 4.230 2.852 2.723 3.178 . 0 0 "[ . 1 . 2]" 1
203 1 14 VAL MG1 1 39 ASP HA . . 5.110 2.139 1.991 2.239 . 0 0 "[ . 1 . 2]" 1
204 1 14 VAL MG1 1 40 PRO HA . . 4.350 2.818 2.672 2.901 . 0 0 "[ . 1 . 2]" 1
205 1 14 VAL MG1 1 40 PRO QB . . 3.910 2.931 2.737 3.034 . 0 0 "[ . 1 . 2]" 1
206 1 14 VAL MG1 1 40 PRO HD2 . . 4.630 3.445 3.151 3.627 . 0 0 "[ . 1 . 2]" 1
207 1 14 VAL MG1 1 40 PRO QD . . 3.930 2.222 1.931 2.490 . 0 0 "[ . 1 . 2]" 1
208 1 14 VAL MG1 1 40 PRO HD3 . . 4.630 2.251 1.949 2.536 . 0 0 "[ . 1 . 2]" 1
209 1 14 VAL MG1 1 40 PRO HG2 . . 4.690 4.405 4.158 4.553 . 0 0 "[ . 1 . 2]" 1
210 1 14 VAL MG1 1 40 PRO HG3 . . 4.160 3.792 3.478 4.009 . 0 0 "[ . 1 . 2]" 1
211 1 14 VAL MG2 1 15 TYR H . . 4.430 3.742 3.692 3.763 . 0 0 "[ . 1 . 2]" 1
212 1 14 VAL MG2 1 31 MET ME . . 4.810 4.520 4.202 4.813 0.003 1 0 "[ . 1 . 2]" 1
213 1 14 VAL MG2 1 38 LEU HA . . 4.850 4.631 4.453 4.746 . 0 0 "[ . 1 . 2]" 1
214 1 14 VAL MG2 1 38 LEU HB2 . . 3.870 3.504 3.357 3.656 . 0 0 "[ . 1 . 2]" 1
215 1 14 VAL MG2 1 38 LEU HB3 . . 3.670 3.270 2.953 3.491 . 0 0 "[ . 1 . 2]" 1
216 1 14 VAL MG2 1 40 PRO HA . . 5.150 4.859 4.650 5.009 . 0 0 "[ . 1 . 2]" 1
217 1 14 VAL MG2 1 40 PRO QB . . 4.580 4.322 4.213 4.427 . 0 0 "[ . 1 . 2]" 1
218 1 14 VAL MG2 1 40 PRO HD2 . . 4.680 3.455 3.339 3.610 . 0 0 "[ . 1 . 2]" 1
219 1 14 VAL MG2 1 40 PRO QD . . 3.830 2.292 2.161 2.418 . 0 0 "[ . 1 . 2]" 1
220 1 14 VAL MG2 1 40 PRO HD3 . . 4.680 2.326 2.187 2.456 . 0 0 "[ . 1 . 2]" 1
221 1 14 VAL MG2 1 40 PRO HG2 . . 5.120 4.955 4.836 5.070 . 0 0 "[ . 1 . 2]" 1
222 1 14 VAL MG2 1 40 PRO HG3 . . 4.250 4.100 3.935 4.207 . 0 0 "[ . 1 . 2]" 1
223 1 15 TYR H 1 15 TYR HB2 . . 3.460 2.521 2.492 2.556 . 0 0 "[ . 1 . 2]" 1
224 1 15 TYR H 1 15 TYR HB3 . . 3.450 2.529 2.491 2.560 . 0 0 "[ . 1 . 2]" 1
225 1 15 TYR H 1 15 TYR QD . . 4.400 4.199 4.197 4.200 . 0 0 "[ . 1 . 2]" 1
226 1 15 TYR H 1 16 THR H . . 3.700 2.817 2.785 2.839 . 0 0 "[ . 1 . 2]" 1
227 1 15 TYR H 1 18 LEU QD . . 4.620 3.615 3.502 3.776 . 0 0 "[ . 1 . 2]" 1
228 1 15 TYR H 1 38 LEU HB3 . . 5.500 4.761 4.641 5.002 . 0 0 "[ . 1 . 2]" 1
229 1 15 TYR HA 1 15 TYR QD . . 3.540 2.843 2.702 3.007 . 0 0 "[ . 1 . 2]" 1
230 1 15 TYR HA 1 18 LEU H . . 4.220 3.190 3.131 3.270 . 0 0 "[ . 1 . 2]" 1
231 1 15 TYR HA 1 18 LEU HB2 . . 3.990 2.044 2.003 2.108 . 0 0 "[ . 1 . 2]" 1
232 1 15 TYR HA 1 18 LEU HB3 . . 4.850 3.550 3.477 3.629 . 0 0 "[ . 1 . 2]" 1
233 1 15 TYR HA 1 18 LEU QD . . 3.500 2.328 2.031 2.584 . 0 0 "[ . 1 . 2]" 1
234 1 15 TYR HA 1 19 CYS H . . 4.620 4.455 4.275 4.603 . 0 0 "[ . 1 . 2]" 1
235 1 15 TYR HB2 1 16 THR H . . 3.990 3.918 3.869 3.963 . 0 0 "[ . 1 . 2]" 1
236 1 15 TYR HB2 1 18 LEU QD . . 5.440 3.981 3.500 4.308 . 0 0 "[ . 1 . 2]" 1
237 1 15 TYR HB2 1 27 VAL MG1 . . 5.500 3.964 3.879 4.055 . 0 0 "[ . 1 . 2]" 1
238 1 15 TYR HB2 1 31 MET ME . . 5.070 2.309 2.036 2.776 . 0 0 "[ . 1 . 2]" 1
239 1 15 TYR HB3 1 16 THR H . . 3.630 2.613 2.533 2.688 . 0 0 "[ . 1 . 2]" 1
240 1 15 TYR HB3 1 17 LYS H . . 5.500 5.124 5.065 5.232 . 0 0 "[ . 1 . 2]" 1
241 1 15 TYR HB3 1 18 LEU HB2 . . 5.500 4.840 4.782 4.910 . 0 0 "[ . 1 . 2]" 1
242 1 15 TYR HB3 1 18 LEU QD . . 5.440 4.729 4.517 4.917 . 0 0 "[ . 1 . 2]" 1
243 1 15 TYR HB3 1 31 MET ME . . 5.500 3.837 3.513 4.200 . 0 0 "[ . 1 . 2]" 1
244 1 15 TYR QD 1 16 THR H . . 3.900 3.389 3.335 3.429 . 0 0 "[ . 1 . 2]" 1
245 1 15 TYR QD 1 16 THR HA . . 4.270 3.203 2.983 3.385 . 0 0 "[ . 1 . 2]" 1
246 1 15 TYR QD 1 16 THR MG . . 5.160 4.667 4.477 4.934 . 0 0 "[ . 1 . 2]" 1
247 1 15 TYR QD 1 17 LYS H . . 5.500 5.427 5.357 5.502 0.002 15 0 "[ . 1 . 2]" 1
248 1 15 TYR QD 1 18 LEU H . . 5.500 5.158 5.078 5.290 . 0 0 "[ . 1 . 2]" 1
249 1 15 TYR QD 1 18 LEU HB3 . . 5.500 4.377 4.098 4.756 . 0 0 "[ . 1 . 2]" 1
250 1 15 TYR QD 1 27 VAL MG1 . . 3.250 2.276 2.057 2.543 . 0 0 "[ . 1 . 2]" 1
251 1 15 TYR QD 1 28 GLU H . . 5.500 5.514 5.503 5.525 0.025 14 0 "[ . 1 . 2]" 1
252 1 15 TYR QD 1 28 GLU HA . . 5.460 5.244 5.166 5.340 . 0 0 "[ . 1 . 2]" 1
253 1 15 TYR QD 1 31 MET ME . . 4.190 2.351 1.970 2.893 . 0 0 "[ . 1 . 2]" 1
254 1 15 TYR QE 1 16 THR H . . 5.500 5.505 5.501 5.512 0.012 3 0 "[ . 1 . 2]" 1
255 1 15 TYR QE 1 24 PRO HA . . 5.500 3.954 3.730 4.057 . 0 0 "[ . 1 . 2]" 1
256 1 15 TYR QE 1 27 VAL HB . . 3.760 3.296 3.039 3.636 . 0 0 "[ . 1 . 2]" 1
257 1 15 TYR QE 1 27 VAL MG1 . . 3.830 2.931 2.661 3.308 . 0 0 "[ . 1 . 2]" 1
258 1 15 TYR QE 1 28 GLU H . . 4.380 4.249 4.132 4.386 0.006 5 0 "[ . 1 . 2]" 1
259 1 15 TYR QE 1 28 GLU HA . . 4.480 4.419 4.319 4.483 0.003 16 0 "[ . 1 . 2]" 1
260 1 15 TYR QE 1 28 GLU HB2 . . 5.500 5.502 5.450 5.511 0.011 14 0 "[ . 1 . 2]" 1
261 1 15 TYR QE 1 28 GLU HG2 . . 3.800 3.550 3.040 3.790 . 0 0 "[ . 1 . 2]" 1
262 1 15 TYR QE 1 28 GLU QG . . 3.330 3.097 2.924 3.311 . 0 0 "[ . 1 . 2]" 1
263 1 15 TYR QE 1 28 GLU HG3 . . 3.800 3.446 3.186 3.800 . 0 0 "[ . 1 . 2]" 1
264 1 16 THR H 1 16 THR HB . . 3.310 2.701 2.597 2.769 . 0 0 "[ . 1 . 2]" 1
265 1 16 THR H 1 16 THR MG . . 4.060 3.754 3.739 3.768 . 0 0 "[ . 1 . 2]" 1
266 1 16 THR H 1 17 LYS H . . 3.580 2.817 2.779 2.844 . 0 0 "[ . 1 . 2]" 1
267 1 16 THR H 1 17 LYS HD2 . . 5.260 4.930 4.814 5.149 . 0 0 "[ . 1 . 2]" 1
268 1 16 THR H 1 17 LYS HD3 . . 5.260 5.259 5.224 5.274 0.014 5 0 "[ . 1 . 2]" 1
269 1 16 THR H 1 18 LEU QD . . 5.440 4.682 4.484 5.014 . 0 0 "[ . 1 . 2]" 1
270 1 16 THR H 1 19 CYS HG . . 5.240 4.780 4.403 5.205 . 0 0 "[ . 1 . 2]" 1
271 1 16 THR HA 1 16 THR MG . . 3.330 2.303 2.198 2.394 . 0 0 "[ . 1 . 2]" 1
272 1 16 THR HA 1 18 LEU H . . 5.080 4.438 4.326 4.565 . 0 0 "[ . 1 . 2]" 1
273 1 16 THR HA 1 19 CYS H . . 4.130 3.952 3.921 3.981 . 0 0 "[ . 1 . 2]" 1
274 1 16 THR HA 1 19 CYS HB2 . . 4.240 3.945 3.551 4.227 . 0 0 "[ . 1 . 2]" 1
275 1 16 THR HA 1 19 CYS HB3 . . 5.500 5.307 5.091 5.509 0.009 1 0 "[ . 1 . 2]" 1
276 1 16 THR HA 1 19 CYS HG . . 4.290 3.147 2.313 3.809 . 0 0 "[ . 1 . 2]" 1
277 1 16 THR HB 1 17 LYS H . . 3.550 2.551 2.472 2.603 . 0 0 "[ . 1 . 2]" 1
278 1 16 THR HB 1 17 LYS HD2 . . 5.500 2.816 2.655 3.069 . 0 0 "[ . 1 . 2]" 1
279 1 16 THR HB 1 17 LYS HD3 . . 5.350 3.773 3.675 3.900 . 0 0 "[ . 1 . 2]" 1
280 1 16 THR HB 1 18 LEU H . . 5.330 4.823 4.781 4.865 . 0 0 "[ . 1 . 2]" 1
281 1 16 THR MG 1 17 LYS H . . 4.090 3.598 3.483 3.678 . 0 0 "[ . 1 . 2]" 1
282 1 16 THR MG 1 17 LYS HA . . 4.320 3.720 3.600 3.842 . 0 0 "[ . 1 . 2]" 1
283 1 17 LYS H 1 17 LYS QB . . 3.360 2.115 2.106 2.127 . 0 0 "[ . 1 . 2]" 1
284 1 17 LYS H 1 17 LYS HD2 . . 3.430 2.862 2.747 3.111 . 0 0 "[ . 1 . 2]" 1
285 1 17 LYS H 1 17 LYS HD3 . . 5.300 3.200 3.165 3.250 . 0 0 "[ . 1 . 2]" 1
286 1 17 LYS H 1 17 LYS QE . . 4.810 4.695 4.545 4.811 0.001 1 0 "[ . 1 . 2]" 1
287 1 17 LYS H 1 17 LYS HG2 . . 4.650 4.348 4.318 4.404 . 0 0 "[ . 1 . 2]" 1
288 1 17 LYS H 1 17 LYS HG3 . . 4.040 3.925 3.855 3.967 . 0 0 "[ . 1 . 2]" 1
289 1 17 LYS H 1 18 LEU H . . 3.510 2.438 2.427 2.454 . 0 0 "[ . 1 . 2]" 1
290 1 17 LYS H 1 18 LEU HB2 . . 4.770 4.272 4.227 4.317 . 0 0 "[ . 1 . 2]" 1
291 1 17 LYS H 1 18 LEU QD . . 5.410 4.140 3.673 4.884 . 0 0 "[ . 1 . 2]" 1
292 1 17 LYS H 1 20 GLY H . . 5.500 5.310 5.231 5.385 . 0 0 "[ . 1 . 2]" 1
293 1 17 LYS H 1 21 VAL MG2 . . 5.500 5.451 5.334 5.519 0.019 16 0 "[ . 1 . 2]" 1
294 1 17 LYS HA 1 17 LYS HD2 . . 3.400 2.981 2.880 3.202 . 0 0 "[ . 1 . 2]" 1
295 1 17 LYS HA 1 17 LYS HD3 . . 4.280 3.974 3.924 4.023 . 0 0 "[ . 1 . 2]" 1
296 1 17 LYS HA 1 17 LYS HG3 . . 3.600 2.174 2.118 2.200 . 0 0 "[ . 1 . 2]" 1
297 1 17 LYS HA 1 20 GLY H . . 3.750 3.503 3.435 3.568 . 0 0 "[ . 1 . 2]" 1
298 1 17 LYS HA 1 20 GLY HA3 . . 4.370 4.352 4.296 4.399 0.029 16 0 "[ . 1 . 2]" 1
299 1 17 LYS QB 1 17 LYS HD2 . . 3.380 2.782 2.747 2.853 . 0 0 "[ . 1 . 2]" 1
300 1 17 LYS QB 1 17 LYS HD3 . . 3.090 2.253 2.114 2.313 . 0 0 "[ . 1 . 2]" 1
301 1 17 LYS QB 1 18 LEU H . . 3.820 2.836 2.765 2.904 . 0 0 "[ . 1 . 2]" 1
302 1 17 LYS QB 1 18 LEU MD1 . . 4.980 4.752 4.536 5.015 0.035 16 0 "[ . 1 . 2]" 1
303 1 17 LYS QB 1 18 LEU MD2 . . 4.980 3.671 3.076 4.797 . 0 0 "[ . 1 . 2]" 1
304 1 17 LYS QB 1 20 GLY HA3 . . 5.500 5.399 5.312 5.462 . 0 0 "[ . 1 . 2]" 1
305 1 17 LYS HD3 1 18 LEU H . . 5.140 5.083 5.011 5.134 . 0 0 "[ . 1 . 2]" 1
306 1 17 LYS QE 1 17 LYS HG2 . . 3.430 2.399 2.217 2.737 . 0 0 "[ . 1 . 2]" 1
307 1 17 LYS QE 1 17 LYS HG3 . . 3.530 2.606 2.342 3.073 . 0 0 "[ . 1 . 2]" 1
308 1 17 LYS HG3 1 18 LEU H . . 5.040 5.034 5.010 5.053 0.013 9 0 "[ . 1 . 2]" 1
309 1 17 LYS HG3 1 20 GLY HA3 . . 5.460 5.466 5.419 5.499 0.039 5 0 "[ . 1 . 2]" 1
310 1 18 LEU H 1 18 LEU HB2 . . 3.480 2.153 2.104 2.203 . 0 0 "[ . 1 . 2]" 1
311 1 18 LEU H 1 18 LEU HB3 . . 3.840 3.473 3.430 3.509 . 0 0 "[ . 1 . 2]" 1
312 1 18 LEU H 1 18 LEU MD1 . . 4.080 3.802 3.620 3.934 . 0 0 "[ . 1 . 2]" 1
313 1 18 LEU H 1 18 LEU QD . . 3.410 2.694 2.259 3.392 . 0 0 "[ . 1 . 2]" 1
314 1 18 LEU H 1 18 LEU MD2 . . 4.080 2.907 2.275 4.016 . 0 0 "[ . 1 . 2]" 1
315 1 18 LEU H 1 18 LEU HG . . 4.140 3.670 2.837 4.144 0.004 15 0 "[ . 1 . 2]" 1
316 1 18 LEU H 1 19 CYS H . . 3.490 2.706 2.701 2.712 . 0 0 "[ . 1 . 2]" 1
317 1 18 LEU H 1 19 CYS HG . . 4.910 4.345 3.858 4.785 . 0 0 "[ . 1 . 2]" 1
318 1 18 LEU H 1 20 GLY H . . 4.760 4.136 4.097 4.197 . 0 0 "[ . 1 . 2]" 1
319 1 18 LEU H 1 21 VAL H . . 5.470 5.025 4.924 5.103 . 0 0 "[ . 1 . 2]" 1
320 1 18 LEU H 1 21 VAL MG2 . . 4.740 4.270 4.209 4.315 . 0 0 "[ . 1 . 2]" 1
321 1 18 LEU HA 1 18 LEU MD1 . . 3.940 2.663 1.994 3.822 . 0 0 "[ . 1 . 2]" 1
322 1 18 LEU HA 1 18 LEU QD . . 3.110 2.042 1.915 2.316 . 0 0 "[ . 1 . 2]" 1
323 1 18 LEU HA 1 18 LEU MD2 . . 3.940 2.367 2.191 2.474 . 0 0 "[ . 1 . 2]" 1
324 1 18 LEU HA 1 18 LEU HG . . 3.750 3.312 2.625 3.653 . 0 0 "[ . 1 . 2]" 1
325 1 18 LEU HA 1 20 GLY H . . 3.830 3.667 3.574 3.789 . 0 0 "[ . 1 . 2]" 1
326 1 18 LEU HA 1 21 VAL H . . 4.210 3.164 3.108 3.237 . 0 0 "[ . 1 . 2]" 1
327 1 18 LEU HA 1 21 VAL HB . . 4.170 2.670 2.598 2.733 . 0 0 "[ . 1 . 2]" 1
328 1 18 LEU HA 1 21 VAL MG1 . . 4.930 4.198 4.143 4.255 . 0 0 "[ . 1 . 2]" 1
329 1 18 LEU HA 1 21 VAL MG2 . . 3.690 2.778 2.666 2.816 . 0 0 "[ . 1 . 2]" 1
330 1 18 LEU HB2 1 19 CYS H . . 4.000 3.078 3.021 3.147 . 0 0 "[ . 1 . 2]" 1
331 1 18 LEU HB3 1 19 CYS H . . 4.280 3.466 3.371 3.590 . 0 0 "[ . 1 . 2]" 1
332 1 18 LEU HB3 1 27 VAL MG1 . . 4.530 2.700 2.605 2.834 . 0 0 "[ . 1 . 2]" 1
333 1 18 LEU QD 1 19 CYS H . . 4.750 4.073 3.942 4.287 . 0 0 "[ . 1 . 2]" 1
334 1 18 LEU QD 1 21 VAL MG1 . . 3.780 3.508 3.400 3.684 . 0 0 "[ . 1 . 2]" 1
335 1 18 LEU QD 1 21 VAL MG2 . . 3.560 3.356 3.186 3.570 0.010 10 0 "[ . 1 . 2]" 1
336 1 18 LEU QD 1 22 PHE H . . 4.020 3.681 3.412 4.025 0.005 5 0 "[ . 1 . 2]" 1
337 1 18 LEU QD 1 22 PHE QD . . 4.010 2.984 2.818 3.153 . 0 0 "[ . 1 . 2]" 1
338 1 18 LEU QD 1 22 PHE QE . . 4.620 4.506 4.358 4.642 0.022 16 0 "[ . 1 . 2]" 1
339 1 18 LEU QD 1 27 VAL MG2 . . 3.120 1.961 1.819 2.051 . 0 0 "[ . 1 . 2]" 1
340 1 18 LEU QD 1 40 PRO QB . . 4.120 2.860 2.607 3.635 . 0 0 "[ . 1 . 2]" 1
341 1 18 LEU QD 1 40 PRO HG2 . . 5.440 4.768 4.578 5.423 . 0 0 "[ . 1 . 2]" 1
342 1 18 LEU QD 1 43 LEU H . . 5.440 4.021 3.877 4.080 . 0 0 "[ . 1 . 2]" 1
343 1 18 LEU QD 1 43 LEU HA . . 5.200 4.592 4.341 4.739 . 0 0 "[ . 1 . 2]" 1
344 1 18 LEU QD 1 43 LEU HB2 . . 3.380 2.474 2.282 2.657 . 0 0 "[ . 1 . 2]" 1
345 1 18 LEU QD 1 43 LEU MD1 . . 3.070 1.723 1.670 1.763 . 0 0 "[ . 1 . 2]" 1
346 1 18 LEU QD 1 44 ALA H . . 4.300 4.022 3.791 4.190 . 0 0 "[ . 1 . 2]" 1
347 1 18 LEU QD 1 44 ALA HA . . 5.440 4.513 3.788 4.735 . 0 0 "[ . 1 . 2]" 1
348 1 18 LEU QD 1 44 ALA MB . . 5.220 4.066 3.586 4.352 . 0 0 "[ . 1 . 2]" 1
349 1 18 LEU QD 1 47 ILE MD . . 3.690 2.907 2.484 3.280 . 0 0 "[ . 1 . 2]" 1
350 1 18 LEU MD1 1 40 PRO HA . . 3.660 2.801 2.406 3.471 . 0 0 "[ . 1 . 2]" 1
351 1 18 LEU MD1 1 43 LEU HB2 . . 3.980 2.911 2.434 3.486 . 0 0 "[ . 1 . 2]" 1
352 1 18 LEU MD1 1 44 ALA H . . 5.500 4.727 4.206 5.512 0.012 3 0 "[ . 1 . 2]" 1
353 1 18 LEU MD1 1 47 ILE MD . . 5.030 3.394 2.496 4.640 . 0 0 "[ . 1 . 2]" 1
354 1 18 LEU MD2 1 40 PRO HA . . 3.660 1.982 1.873 2.607 . 0 0 "[ . 1 . 2]" 1
355 1 18 LEU MD2 1 43 LEU HB2 . . 3.980 2.945 2.339 3.387 . 0 0 "[ . 1 . 2]" 1
356 1 18 LEU MD2 1 44 ALA H . . 5.500 4.829 3.862 5.475 . 0 0 "[ . 1 . 2]" 1
357 1 18 LEU MD2 1 47 ILE MD . . 5.030 4.237 2.888 5.033 0.003 14 0 "[ . 1 . 2]" 1
358 1 19 CYS H 1 19 CYS HB2 . . 3.560 2.453 2.242 2.611 . 0 0 "[ . 1 . 2]" 1
359 1 19 CYS H 1 19 CYS HB3 . . 3.710 3.580 3.538 3.593 . 0 0 "[ . 1 . 2]" 1
360 1 19 CYS H 1 19 CYS HG . . 3.480 2.542 2.121 2.972 . 0 0 "[ . 1 . 2]" 1
361 1 19 CYS H 1 20 GLY H . . 3.590 2.583 2.542 2.613 . 0 0 "[ . 1 . 2]" 1
362 1 19 CYS H 1 20 GLY HA3 . . 5.140 4.893 4.861 4.911 . 0 0 "[ . 1 . 2]" 1
363 1 19 CYS H 1 21 VAL H . . 4.660 4.007 3.940 4.064 . 0 0 "[ . 1 . 2]" 1
364 1 19 CYS H 1 27 VAL MG2 . . 4.790 4.517 4.424 4.588 . 0 0 "[ . 1 . 2]" 1
365 1 19 CYS HA 1 21 VAL H . . 4.330 3.957 3.887 4.084 . 0 0 "[ . 1 . 2]" 1
366 1 19 CYS HA 1 22 PHE H . . 4.040 3.796 3.706 3.870 . 0 0 "[ . 1 . 2]" 1
367 1 19 CYS HA 1 27 VAL MG1 . . 5.500 5.536 5.507 5.556 0.056 14 0 "[ . 1 . 2]" 1
368 1 19 CYS HA 1 27 VAL MG2 . . 4.090 3.949 3.869 4.032 . 0 0 "[ . 1 . 2]" 1
369 1 19 CYS HB2 1 20 GLY H . . 4.560 3.152 3.045 3.212 . 0 0 "[ . 1 . 2]" 1
370 1 19 CYS HB2 1 21 VAL H . . 5.370 5.063 4.991 5.111 . 0 0 "[ . 1 . 2]" 1
371 1 19 CYS HB3 1 20 GLY H . . 4.780 4.034 3.796 4.184 . 0 0 "[ . 1 . 2]" 1
372 1 19 CYS HG 1 20 GLY H . . 5.110 4.839 4.534 5.087 . 0 0 "[ . 1 . 2]" 1
373 1 20 GLY H 1 21 VAL H . . 3.400 2.213 2.161 2.304 . 0 0 "[ . 1 . 2]" 1
374 1 20 GLY H 1 21 VAL HB . . 4.890 4.479 4.403 4.578 . 0 0 "[ . 1 . 2]" 1
375 1 20 GLY H 1 21 VAL MG1 . . 5.500 5.460 5.412 5.523 0.023 10 0 "[ . 1 . 2]" 1
376 1 20 GLY H 1 21 VAL MG2 . . 4.480 3.421 3.353 3.518 . 0 0 "[ . 1 . 2]" 1
377 1 20 GLY H 1 22 PHE H . . 4.350 3.754 3.687 3.859 . 0 0 "[ . 1 . 2]" 1
378 1 20 GLY HA3 1 21 VAL HA . . 4.650 4.486 4.440 4.500 . 0 0 "[ . 1 . 2]" 1
379 1 20 GLY HA3 1 21 VAL HB . . 5.500 5.506 5.497 5.530 0.030 16 0 "[ . 1 . 2]" 1
380 1 20 GLY HA3 1 21 VAL MG2 . . 5.240 3.549 3.512 3.590 . 0 0 "[ . 1 . 2]" 1
381 1 21 VAL H 1 21 VAL HB . . 3.540 2.713 2.665 2.739 . 0 0 "[ . 1 . 2]" 1
382 1 21 VAL H 1 21 VAL MG1 . . 4.040 3.880 3.849 3.892 . 0 0 "[ . 1 . 2]" 1
383 1 21 VAL H 1 21 VAL MG2 . . 3.700 2.647 2.524 2.690 . 0 0 "[ . 1 . 2]" 1
384 1 21 VAL H 1 22 PHE H . . 3.080 1.923 1.890 2.052 . 0 0 "[ . 1 . 2]" 1
385 1 21 VAL H 1 22 PHE HB2 . . 4.900 4.461 4.422 4.526 . 0 0 "[ . 1 . 2]" 1
386 1 21 VAL H 1 22 PHE QD . . 4.810 4.813 4.771 4.852 0.042 16 0 "[ . 1 . 2]" 1
387 1 21 VAL HA 1 21 VAL MG1 . . 3.600 2.319 2.287 2.350 . 0 0 "[ . 1 . 2]" 1
388 1 21 VAL HA 1 21 VAL MG2 . . 3.520 2.407 2.393 2.420 . 0 0 "[ . 1 . 2]" 1
389 1 21 VAL HA 1 22 PHE HB2 . . 5.420 5.275 5.264 5.285 . 0 0 "[ . 1 . 2]" 1
390 1 21 VAL HB 1 22 PHE H . . 3.870 2.956 2.898 2.988 . 0 0 "[ . 1 . 2]" 1
391 1 21 VAL HB 1 22 PHE QD . . 4.350 2.832 2.777 2.869 . 0 0 "[ . 1 . 2]" 1
392 1 21 VAL HB 1 44 ALA MB . . 4.950 4.725 3.770 4.942 . 0 0 "[ . 1 . 2]" 1
393 1 21 VAL MG1 1 22 PHE H . . 4.580 3.858 3.834 3.886 . 0 0 "[ . 1 . 2]" 1
394 1 21 VAL MG1 1 22 PHE HB2 . . 4.650 3.910 3.886 3.970 . 0 0 "[ . 1 . 2]" 1
395 1 21 VAL MG1 1 22 PHE QD . . 4.670 2.256 2.212 2.304 . 0 0 "[ . 1 . 2]" 1
396 1 21 VAL MG1 1 40 PRO HA . . 5.150 4.762 4.643 4.965 . 0 0 "[ . 1 . 2]" 1
397 1 21 VAL MG1 1 40 PRO QB . . 4.230 4.151 3.895 4.253 0.023 18 0 "[ . 1 . 2]" 1
398 1 21 VAL MG1 1 41 GLN H . . 5.500 5.538 5.518 5.579 0.079 16 0 "[ . 1 . 2]" 1
399 1 21 VAL MG1 1 41 GLN HA . . 4.160 3.968 3.888 4.152 . 0 0 "[ . 1 . 2]" 1
400 1 21 VAL MG1 1 41 GLN HG2 . . 5.500 5.477 5.124 5.525 0.025 1 0 "[ . 1 . 2]" 1
401 1 21 VAL MG1 1 41 GLN HG3 . . 5.500 4.568 4.120 4.796 . 0 0 "[ . 1 . 2]" 1
402 1 21 VAL MG1 1 44 ALA H . . 5.200 4.744 4.430 5.187 . 0 0 "[ . 1 . 2]" 1
403 1 21 VAL MG1 1 44 ALA MB . . 3.640 2.935 2.153 3.218 . 0 0 "[ . 1 . 2]" 1
404 1 21 VAL MG2 1 22 PHE H . . 4.410 3.828 3.792 3.850 . 0 0 "[ . 1 . 2]" 1
405 1 21 VAL MG2 1 22 PHE QD . . 5.060 4.260 4.234 4.284 . 0 0 "[ . 1 . 2]" 1
406 1 21 VAL MG2 1 44 ALA MB . . 4.870 4.655 3.855 4.884 0.014 19 0 "[ . 1 . 2]" 1
407 1 22 PHE H 1 22 PHE HB2 . . 3.910 2.859 2.854 2.864 . 0 0 "[ . 1 . 2]" 1
408 1 22 PHE H 1 22 PHE HB3 . . 3.890 3.849 3.848 3.851 . 0 0 "[ . 1 . 2]" 1
409 1 22 PHE H 1 22 PHE QD . . 4.140 3.812 3.788 3.833 . 0 0 "[ . 1 . 2]" 1
410 1 22 PHE H 1 27 VAL MG2 . . 4.480 3.999 3.914 4.096 . 0 0 "[ . 1 . 2]" 1
411 1 22 PHE HA 1 22 PHE QD . . 4.150 2.697 2.671 2.724 . 0 0 "[ . 1 . 2]" 1
412 1 22 PHE HA 1 23 PRO HD2 . . 3.520 2.489 2.483 2.498 . 0 0 "[ . 1 . 2]" 1
413 1 22 PHE HA 1 23 PRO HD3 . . 3.960 2.341 2.339 2.344 . 0 0 "[ . 1 . 2]" 1
414 1 22 PHE HA 1 23 PRO QG . . 4.630 4.058 4.055 4.064 . 0 0 "[ . 1 . 2]" 1
415 1 22 PHE HB2 1 23 PRO HD2 . . 4.460 3.571 3.559 3.579 . 0 0 "[ . 1 . 2]" 1
416 1 22 PHE HB2 1 23 PRO HD3 . . 4.940 4.671 4.663 4.676 . 0 0 "[ . 1 . 2]" 1
417 1 22 PHE HB2 1 26 LEU MD1 . . 5.180 3.897 3.872 3.953 . 0 0 "[ . 1 . 2]" 1
418 1 22 PHE HB2 1 27 VAL H . . 4.850 4.547 4.492 4.615 . 0 0 "[ . 1 . 2]" 1
419 1 22 PHE HB2 1 27 VAL MG2 . . 3.500 2.723 2.683 2.779 . 0 0 "[ . 1 . 2]" 1
420 1 22 PHE HB2 1 47 ILE MD . . 4.890 2.899 2.701 3.155 . 0 0 "[ . 1 . 2]" 1
421 1 22 PHE HB2 1 47 ILE MG . . 5.000 4.559 4.082 4.996 . 0 0 "[ . 1 . 2]" 1
422 1 22 PHE HB3 1 23 PRO HD2 . . 4.560 1.944 1.928 1.953 . 0 0 "[ . 1 . 2]" 1
423 1 22 PHE HB3 1 23 PRO HD3 . . 4.410 3.400 3.386 3.409 . 0 0 "[ . 1 . 2]" 1
424 1 22 PHE HB3 1 26 LEU MD1 . . 4.890 2.471 2.419 2.599 . 0 0 "[ . 1 . 2]" 1
425 1 22 PHE HB3 1 27 VAL H . . 5.080 3.835 3.782 3.901 . 0 0 "[ . 1 . 2]" 1
426 1 22 PHE HB3 1 27 VAL MG2 . . 3.780 2.948 2.893 3.026 . 0 0 "[ . 1 . 2]" 1
427 1 22 PHE HB3 1 47 ILE MD . . 4.840 2.826 2.609 3.072 . 0 0 "[ . 1 . 2]" 1
428 1 22 PHE HB3 1 47 ILE MG . . 4.510 3.707 3.272 4.114 . 0 0 "[ . 1 . 2]" 1
429 1 22 PHE QD 1 23 PRO HD2 . . 4.470 1.962 1.954 1.972 . 0 0 "[ . 1 . 2]" 1
430 1 22 PHE QD 1 23 PRO HD3 . . 4.440 2.893 2.867 2.924 . 0 0 "[ . 1 . 2]" 1
431 1 22 PHE QD 1 26 LEU MD1 . . 3.990 1.920 1.899 1.973 . 0 0 "[ . 1 . 2]" 1
432 1 22 PHE QD 1 27 VAL MG2 . . 4.090 4.060 4.008 4.098 0.008 1 0 "[ . 1 . 2]" 1
433 1 22 PHE QD 1 47 ILE MD . . 4.160 2.640 2.519 2.823 . 0 0 "[ . 1 . 2]" 1
434 1 22 PHE QD 1 47 ILE MG . . 4.110 2.849 2.673 3.246 . 0 0 "[ . 1 . 2]" 1
435 1 22 PHE QE 1 44 ALA H . . 4.910 4.264 3.859 4.692 . 0 0 "[ . 1 . 2]" 1
436 1 22 PHE QE 1 44 ALA HA . . 4.120 2.436 2.058 3.304 . 0 0 "[ . 1 . 2]" 1
437 1 22 PHE QE 1 44 ALA MB . . 3.420 1.981 1.880 2.106 . 0 0 "[ . 1 . 2]" 1
438 1 22 PHE QE 1 48 LEU QD . . 4.550 3.967 3.379 4.169 . 0 0 "[ . 1 . 2]" 1
439 1 22 PHE QE 1 48 LEU HG . . 5.500 4.214 3.613 4.416 . 0 0 "[ . 1 . 2]" 1
440 1 22 PHE HZ 1 44 ALA MB . . 4.270 3.214 3.011 3.926 . 0 0 "[ . 1 . 2]" 1
441 1 22 PHE HZ 1 48 LEU MD1 . . 4.860 3.982 3.262 4.411 . 0 0 "[ . 1 . 2]" 1
442 1 22 PHE HZ 1 48 LEU QD . . 4.080 3.451 2.858 3.624 . 0 0 "[ . 1 . 2]" 1
443 1 22 PHE HZ 1 48 LEU MD2 . . 4.860 3.814 3.160 4.107 . 0 0 "[ . 1 . 2]" 1
444 1 22 PHE HZ 1 48 LEU HG . . 5.010 3.169 2.307 3.474 . 0 0 "[ . 1 . 2]" 1
445 1 23 PRO HB2 1 24 PRO HA . . 4.720 4.740 4.732 4.748 0.028 5 0 "[ . 1 . 2]" 1
446 1 23 PRO HB2 1 24 PRO HD2 . . 4.620 2.049 2.014 2.083 . 0 0 "[ . 1 . 2]" 1
447 1 23 PRO HB2 1 24 PRO HD3 . . 4.620 3.501 3.471 3.530 . 0 0 "[ . 1 . 2]" 1
448 1 23 PRO HB2 1 25 HIS H . . 5.170 2.839 2.823 2.857 . 0 0 "[ . 1 . 2]" 1
449 1 23 PRO HB2 1 25 HIS HE1 . . 3.650 3.352 3.290 3.527 . 0 0 "[ . 1 . 2]" 1
450 1 23 PRO HB2 1 26 LEU H . . 4.500 3.179 3.168 3.207 . 0 0 "[ . 1 . 2]" 1
451 1 23 PRO HB2 1 26 LEU MD1 . . 5.020 4.262 4.211 4.398 . 0 0 "[ . 1 . 2]" 1
452 1 23 PRO HB3 1 25 HIS H . . 5.300 4.500 4.480 4.517 . 0 0 "[ . 1 . 2]" 1
453 1 23 PRO HB3 1 25 HIS HE1 . . 4.060 3.791 3.715 4.006 . 0 0 "[ . 1 . 2]" 1
454 1 23 PRO HB3 1 26 LEU H . . 4.860 4.750 4.742 4.772 . 0 0 "[ . 1 . 2]" 1
455 1 23 PRO HD2 1 26 LEU H . . 5.340 4.502 4.476 4.519 . 0 0 "[ . 1 . 2]" 1
456 1 23 PRO HD2 1 26 LEU QB . . 4.410 2.657 2.637 2.680 . 0 0 "[ . 1 . 2]" 1
457 1 23 PRO HD2 1 26 LEU MD1 . . 3.550 1.952 1.911 2.092 . 0 0 "[ . 1 . 2]" 1
458 1 23 PRO HD2 1 47 ILE MD . . 5.180 4.060 3.909 4.340 . 0 0 "[ . 1 . 2]" 1
459 1 23 PRO HD2 1 47 ILE MG . . 4.610 3.902 3.693 4.216 . 0 0 "[ . 1 . 2]" 1
460 1 23 PRO HD3 1 26 LEU H . . 5.500 5.504 5.492 5.516 0.016 2 0 "[ . 1 . 2]" 1
461 1 23 PRO HD3 1 26 LEU MD1 . . 3.870 2.988 2.942 3.150 . 0 0 "[ . 1 . 2]" 1
462 1 23 PRO HD3 1 26 LEU HG . . 5.500 4.915 4.850 5.133 . 0 0 "[ . 1 . 2]" 1
463 1 23 PRO QG 1 25 HIS HE1 . . 3.460 2.085 2.068 2.114 . 0 0 "[ . 1 . 2]" 1
464 1 23 PRO QG 1 26 LEU H . . 4.400 2.713 2.695 2.725 . 0 0 "[ . 1 . 2]" 1
465 1 23 PRO QG 1 26 LEU MD1 . . 3.700 2.126 2.081 2.245 . 0 0 "[ . 1 . 2]" 1
466 1 23 PRO QG 1 26 LEU HG . . 5.040 2.464 2.385 2.713 . 0 0 "[ . 1 . 2]" 1
467 1 24 PRO HA 1 26 LEU H . . 4.740 3.908 3.896 3.947 . 0 0 "[ . 1 . 2]" 1
468 1 24 PRO HA 1 27 VAL H . . 4.070 3.594 3.578 3.608 . 0 0 "[ . 1 . 2]" 1
469 1 24 PRO HA 1 27 VAL HB . . 3.910 2.940 2.832 2.993 . 0 0 "[ . 1 . 2]" 1
470 1 24 PRO HA 1 27 VAL MG1 . . 4.610 4.378 4.273 4.437 . 0 0 "[ . 1 . 2]" 1
471 1 24 PRO HA 1 27 VAL MG2 . . 3.850 3.428 3.228 3.564 . 0 0 "[ . 1 . 2]" 1
472 1 24 PRO HA 1 28 GLU H . . 4.440 3.387 3.313 3.506 . 0 0 "[ . 1 . 2]" 1
473 1 24 PRO HA 1 28 GLU QG . . 4.880 3.239 3.094 3.520 . 0 0 "[ . 1 . 2]" 1
474 1 24 PRO QB 1 25 HIS H . . 4.080 2.927 2.911 2.946 . 0 0 "[ . 1 . 2]" 1
475 1 24 PRO QD 1 25 HIS H . . 4.640 2.682 2.674 2.688 . 0 0 "[ . 1 . 2]" 1
476 1 24 PRO HD2 1 25 HIS H . . 5.500 2.736 2.727 2.742 . 0 0 "[ . 1 . 2]" 1
477 1 24 PRO HD3 1 25 HIS H . . 5.500 3.858 3.854 3.860 . 0 0 "[ . 1 . 2]" 1
478 1 24 PRO QG 1 25 HIS H . . 4.550 1.953 1.937 1.972 . 0 0 "[ . 1 . 2]" 1
479 1 24 PRO HG2 1 25 HIS H . . 5.200 1.962 1.945 1.980 . 0 0 "[ . 1 . 2]" 1
480 1 24 PRO HG3 1 25 HIS H . . 5.200 3.607 3.595 3.622 . 0 0 "[ . 1 . 2]" 1
481 1 25 HIS H 1 25 HIS HD2 . . 5.500 5.161 5.135 5.223 . 0 0 "[ . 1 . 2]" 1
482 1 25 HIS H 1 26 LEU H . . 4.150 2.723 2.712 2.750 . 0 0 "[ . 1 . 2]" 1
483 1 25 HIS HA 1 25 HIS HD2 . . 4.870 4.314 4.298 4.325 . 0 0 "[ . 1 . 2]" 1
484 1 25 HIS HA 1 28 GLU H . . 4.600 4.269 4.165 4.323 . 0 0 "[ . 1 . 2]" 1
485 1 25 HIS HA 1 28 GLU HB2 . . 3.950 3.034 2.925 3.103 . 0 0 "[ . 1 . 2]" 1
486 1 25 HIS HA 1 28 GLU HB3 . . 4.670 4.510 4.397 4.593 . 0 0 "[ . 1 . 2]" 1
487 1 25 HIS QB 1 25 HIS HD2 . . 3.430 2.741 2.732 2.750 . 0 0 "[ . 1 . 2]" 1
488 1 25 HIS QB 1 26 LEU H . . 4.020 3.549 3.508 3.562 . 0 0 "[ . 1 . 2]" 1
489 1 25 HIS HB2 1 25 HIS HD2 . . 3.940 2.802 2.792 2.811 . 0 0 "[ . 1 . 2]" 1
490 1 25 HIS HB2 1 26 LEU H . . 4.760 4.206 4.192 4.210 . 0 0 "[ . 1 . 2]" 1
491 1 25 HIS HB3 1 25 HIS HD2 . . 3.940 3.886 3.878 3.893 . 0 0 "[ . 1 . 2]" 1
492 1 25 HIS HB3 1 26 LEU H . . 4.760 3.824 3.762 3.844 . 0 0 "[ . 1 . 2]" 1
493 1 25 HIS HD2 1 26 LEU MD2 . . 3.840 3.623 3.532 3.843 0.003 8 0 "[ . 1 . 2]" 1
494 1 25 HIS HD2 1 26 LEU HG . . 4.540 3.714 3.683 3.782 . 0 0 "[ . 1 . 2]" 1
495 1 25 HIS HE1 1 26 LEU H . . 4.600 4.382 4.280 4.424 . 0 0 "[ . 1 . 2]" 1
496 1 25 HIS HE1 1 26 LEU MD2 . . 4.300 4.303 4.258 4.314 0.014 2 0 "[ . 1 . 2]" 1
497 1 25 HIS HE1 1 26 LEU HG . . 3.760 2.879 2.802 2.926 . 0 0 "[ . 1 . 2]" 1
498 1 26 LEU H 1 26 LEU HB2 . . 3.670 2.143 2.126 2.150 . 0 0 "[ . 1 . 2]" 1
499 1 26 LEU H 1 26 LEU QB . . 3.160 2.122 2.105 2.129 . 0 0 "[ . 1 . 2]" 1
500 1 26 LEU H 1 26 LEU HB3 . . 3.670 3.432 3.400 3.443 . 0 0 "[ . 1 . 2]" 1
501 1 26 LEU H 1 26 LEU MD1 . . 4.010 4.002 3.993 4.020 0.010 4 0 "[ . 1 . 2]" 1
502 1 26 LEU H 1 26 LEU MD2 . . 4.080 4.038 4.014 4.092 0.012 8 0 "[ . 1 . 2]" 1
503 1 26 LEU H 1 26 LEU HG . . 3.790 3.303 3.276 3.392 . 0 0 "[ . 1 . 2]" 1
504 1 26 LEU H 1 27 VAL H . . 3.140 2.629 2.623 2.633 . 0 0 "[ . 1 . 2]" 1
505 1 26 LEU H 1 27 VAL HB . . 4.890 4.665 4.639 4.697 . 0 0 "[ . 1 . 2]" 1
506 1 26 LEU H 1 28 GLU H . . 4.410 3.971 3.888 4.021 . 0 0 "[ . 1 . 2]" 1
507 1 26 LEU HA 1 26 LEU MD2 . . 3.310 2.069 1.988 2.128 . 0 0 "[ . 1 . 2]" 1
508 1 26 LEU HA 1 26 LEU HG . . 4.080 2.770 2.725 2.786 . 0 0 "[ . 1 . 2]" 1
509 1 26 LEU HA 1 28 GLU H . . 5.180 4.775 4.650 4.857 . 0 0 "[ . 1 . 2]" 1
510 1 26 LEU HA 1 29 ALA H . . 3.790 3.644 3.578 3.694 . 0 0 "[ . 1 . 2]" 1
511 1 26 LEU HA 1 29 ALA MB . . 3.370 2.836 2.666 3.049 . 0 0 "[ . 1 . 2]" 1
512 1 26 LEU HA 1 50 TYR QD . . 4.860 4.580 4.066 4.828 . 0 0 "[ . 1 . 2]" 1
513 1 26 LEU HA 1 50 TYR QE . . 4.310 4.147 3.786 4.311 0.001 20 0 "[ . 1 . 2]" 1
514 1 26 LEU QB 1 27 VAL H . . 3.500 2.328 2.320 2.340 . 0 0 "[ . 1 . 2]" 1
515 1 26 LEU QB 1 27 VAL HA . . 5.340 3.677 3.657 3.687 . 0 0 "[ . 1 . 2]" 1
516 1 26 LEU QB 1 47 ILE MG . . 3.710 2.940 2.484 3.147 . 0 0 "[ . 1 . 2]" 1
517 1 26 LEU HB2 1 27 VAL H . . 4.030 2.535 2.513 2.591 . 0 0 "[ . 1 . 2]" 1
518 1 26 LEU HB3 1 27 VAL H . . 4.030 2.714 2.658 2.733 . 0 0 "[ . 1 . 2]" 1
519 1 26 LEU MD1 1 51 LYS QE . . 4.730 3.219 2.056 3.994 . 0 0 "[ . 1 . 2]" 1
520 1 26 LEU MD2 1 47 ILE MD . . 4.040 3.486 3.101 3.911 . 0 0 "[ . 1 . 2]" 1
521 1 26 LEU MD2 1 47 ILE QG . . 3.470 2.533 2.176 2.998 . 0 0 "[ . 1 . 2]" 1
522 1 26 LEU MD2 1 47 ILE MG . . 3.530 1.907 1.858 2.006 . 0 0 "[ . 1 . 2]" 1
523 1 26 LEU MD2 1 50 TYR QB . . 4.120 3.544 2.492 3.903 . 0 0 "[ . 1 . 2]" 1
524 1 26 LEU MD2 1 50 TYR QD . . 3.490 2.374 1.998 2.682 . 0 0 "[ . 1 . 2]" 1
525 1 26 LEU MD2 1 50 TYR QE . . 3.380 2.727 2.207 3.364 . 0 0 "[ . 1 . 2]" 1
526 1 26 LEU MD2 1 51 LYS QE . . 4.970 3.362 2.156 4.046 . 0 0 "[ . 1 . 2]" 1
527 1 26 LEU HG 1 27 VAL H . . 4.890 4.701 4.686 4.739 . 0 0 "[ . 1 . 2]" 1
528 1 26 LEU HG 1 47 ILE MG . . 4.220 3.763 3.702 3.843 . 0 0 "[ . 1 . 2]" 1
529 1 26 LEU HG 1 51 LYS QE . . 4.520 4.212 3.046 4.524 0.004 8 0 "[ . 1 . 2]" 1
530 1 27 VAL H 1 27 VAL HB . . 3.440 2.600 2.566 2.638 . 0 0 "[ . 1 . 2]" 1
531 1 27 VAL H 1 27 VAL MG1 . . 3.940 3.765 3.763 3.767 . 0 0 "[ . 1 . 2]" 1
532 1 27 VAL H 1 27 VAL MG2 . . 3.250 2.028 1.922 2.173 . 0 0 "[ . 1 . 2]" 1
533 1 27 VAL H 1 28 GLU H . . 3.450 2.897 2.837 2.935 . 0 0 "[ . 1 . 2]" 1
534 1 27 VAL H 1 47 ILE MD . . 4.880 4.169 3.940 4.419 . 0 0 "[ . 1 . 2]" 1
535 1 27 VAL H 1 47 ILE MG . . 5.450 5.287 4.768 5.459 0.009 3 0 "[ . 1 . 2]" 1
536 1 27 VAL HA 1 27 VAL MG1 . . 3.490 2.352 2.328 2.384 . 0 0 "[ . 1 . 2]" 1
537 1 27 VAL HA 1 27 VAL MG2 . . 3.390 2.406 2.351 2.437 . 0 0 "[ . 1 . 2]" 1
538 1 27 VAL HA 1 29 ALA H . . 4.270 3.986 3.952 4.028 . 0 0 "[ . 1 . 2]" 1
539 1 27 VAL HA 1 30 VAL H . . 4.220 3.538 3.458 3.573 . 0 0 "[ . 1 . 2]" 1
540 1 27 VAL HA 1 30 VAL HB . . 4.540 2.832 2.747 2.912 . 0 0 "[ . 1 . 2]" 1
541 1 27 VAL HA 1 31 MET H . . 4.670 3.592 3.435 3.715 . 0 0 "[ . 1 . 2]" 1
542 1 27 VAL HA 1 47 ILE MD . . 3.620 3.590 3.451 3.624 0.004 6 0 "[ . 1 . 2]" 1
543 1 27 VAL HB 1 28 GLU H . . 3.250 2.363 2.312 2.454 . 0 0 "[ . 1 . 2]" 1
544 1 27 VAL HB 1 47 ILE MD . . 5.470 5.431 5.303 5.483 0.013 15 0 "[ . 1 . 2]" 1
545 1 27 VAL MG1 1 28 GLU H . . 4.020 3.239 3.181 3.305 . 0 0 "[ . 1 . 2]" 1
546 1 27 VAL MG1 1 28 GLU HA . . 3.950 3.340 3.293 3.402 . 0 0 "[ . 1 . 2]" 1
547 1 27 VAL MG1 1 31 MET H . . 4.360 3.768 3.635 3.890 . 0 0 "[ . 1 . 2]" 1
548 1 27 VAL MG1 1 31 MET ME . . 2.890 2.423 2.177 2.690 . 0 0 "[ . 1 . 2]" 1
549 1 27 VAL MG1 1 47 ILE MD . . 4.630 4.408 4.201 4.567 . 0 0 "[ . 1 . 2]" 1
550 1 27 VAL MG2 1 28 GLU H . . 4.070 3.743 3.710 3.782 . 0 0 "[ . 1 . 2]" 1
551 1 28 GLU H 1 28 GLU HB2 . . 3.270 2.379 2.299 2.440 . 0 0 "[ . 1 . 2]" 1
552 1 28 GLU H 1 28 GLU HB3 . . 3.590 3.576 3.556 3.586 . 0 0 "[ . 1 . 2]" 1
553 1 28 GLU H 1 28 GLU HG2 . . 3.910 3.407 2.949 3.550 . 0 0 "[ . 1 . 2]" 1
554 1 28 GLU H 1 28 GLU HG3 . . 3.910 2.487 2.292 2.787 . 0 0 "[ . 1 . 2]" 1
555 1 28 GLU H 1 29 ALA H . . 3.420 2.756 2.728 2.772 . 0 0 "[ . 1 . 2]" 1
556 1 28 GLU H 1 29 ALA MB . . 4.870 4.435 4.373 4.482 . 0 0 "[ . 1 . 2]" 1
557 1 28 GLU H 1 30 VAL H . . 4.850 4.670 4.633 4.692 . 0 0 "[ . 1 . 2]" 1
558 1 28 GLU HA 1 28 GLU HG2 . . 4.010 2.345 2.189 2.467 . 0 0 "[ . 1 . 2]" 1
559 1 28 GLU HA 1 28 GLU QG . . 3.330 2.274 2.155 2.359 . 0 0 "[ . 1 . 2]" 1
560 1 28 GLU HA 1 28 GLU HG3 . . 4.010 3.100 2.964 3.451 . 0 0 "[ . 1 . 2]" 1
561 1 28 GLU HA 1 31 MET H . . 4.110 4.028 3.943 4.131 0.021 19 0 "[ . 1 . 2]" 1
562 1 28 GLU HA 1 31 MET QB . . 4.440 2.863 2.750 2.958 . 0 0 "[ . 1 . 2]" 1
563 1 28 GLU HB2 1 28 GLU QG . . 2.490 2.279 2.162 2.342 . 0 0 "[ . 1 . 2]" 1
564 1 28 GLU HB2 1 29 ALA H . . 3.710 2.925 2.889 2.958 . 0 0 "[ . 1 . 2]" 1
565 1 28 GLU HB2 1 30 VAL H . . 5.500 5.503 5.468 5.521 0.021 14 0 "[ . 1 . 2]" 1
566 1 28 GLU HB3 1 29 ALA H . . 3.980 3.709 3.590 3.791 . 0 0 "[ . 1 . 2]" 1
567 1 28 GLU QG 1 29 ALA H . . 4.380 4.292 4.245 4.359 . 0 0 "[ . 1 . 2]" 1
568 1 28 GLU HG2 1 29 ALA H . . 5.130 5.053 4.839 5.130 . 2 0 "[ . 1 . 2]" 1
569 1 28 GLU HG3 1 29 ALA H . . 5.130 4.647 4.533 4.812 . 0 0 "[ . 1 . 2]" 1
570 1 29 ALA H 1 29 ALA MB . . 3.040 2.211 2.091 2.284 . 0 0 "[ . 1 . 2]" 1
571 1 29 ALA H 1 30 VAL H . . 3.350 2.603 2.591 2.612 . 0 0 "[ . 1 . 2]" 1
572 1 29 ALA H 1 30 VAL HB . . 4.820 4.751 4.723 4.776 . 0 0 "[ . 1 . 2]" 1
573 1 29 ALA H 1 31 MET H . . 4.650 3.734 3.643 3.860 . 0 0 "[ . 1 . 2]" 1
574 1 29 ALA H 1 31 MET QG . . 5.340 4.939 4.830 5.110 . 0 0 "[ . 1 . 2]" 1
575 1 29 ALA HA 1 30 VAL HA . . 4.940 4.820 4.806 4.826 . 0 0 "[ . 1 . 2]" 1
576 1 29 ALA HA 1 32 ARG H . . 3.880 3.631 3.581 3.705 . 0 0 "[ . 1 . 2]" 1
577 1 29 ALA HA 1 32 ARG HB2 . . 3.880 3.436 3.133 3.885 0.005 1 0 "[ . 1 . 2]" 1
578 1 29 ALA HA 1 32 ARG HB3 . . 3.880 3.832 3.561 3.896 0.016 14 0 "[ . 1 . 2]" 1
579 1 29 ALA HA 1 32 ARG QD . . 5.460 5.130 4.115 5.465 0.005 13 0 "[ . 1 . 2]" 1
580 1 29 ALA MB 1 30 VAL H . . 3.470 2.249 2.149 2.393 . 0 0 "[ . 1 . 2]" 1
581 1 29 ALA MB 1 50 TYR QE . . 4.030 3.613 2.633 3.978 . 0 0 "[ . 1 . 2]" 1
582 1 30 VAL H 1 30 VAL HB . . 3.200 2.690 2.672 2.697 . 0 0 "[ . 1 . 2]" 1
583 1 30 VAL H 1 30 VAL MG1 . . 3.800 3.756 3.754 3.759 . 0 0 "[ . 1 . 2]" 1
584 1 30 VAL H 1 30 VAL MG2 . . 3.300 2.071 2.042 2.105 . 0 0 "[ . 1 . 2]" 1
585 1 30 VAL H 1 31 MET H . . 3.330 2.781 2.733 2.838 . 0 0 "[ . 1 . 2]" 1
586 1 30 VAL HA 1 30 VAL MG1 . . 3.440 2.342 2.276 2.391 . 0 0 "[ . 1 . 2]" 1
587 1 30 VAL HA 1 30 VAL MG2 . . 3.000 2.389 2.366 2.403 . 0 0 "[ . 1 . 2]" 1
588 1 30 VAL HA 1 32 ARG H . . 4.090 3.813 3.746 3.872 . 0 0 "[ . 1 . 2]" 1
589 1 30 VAL HA 1 33 ARG H . . 3.800 3.421 3.127 3.601 . 0 0 "[ . 1 . 2]" 1
590 1 30 VAL HA 1 33 ARG HB2 . . 4.000 3.277 2.505 3.696 . 0 0 "[ . 1 . 2]" 1
591 1 30 VAL HA 1 33 ARG QB . . 3.480 2.967 2.481 3.320 . 0 0 "[ . 1 . 2]" 1
592 1 30 VAL HA 1 33 ARG HB3 . . 4.000 3.457 3.225 4.010 0.010 16 0 "[ . 1 . 2]" 1
593 1 30 VAL HA 1 33 ARG QD . . 4.790 4.302 3.813 4.790 . 0 0 "[ . 1 . 2]" 1
594 1 30 VAL HB 1 31 MET H . . 3.720 2.714 2.525 2.856 . 0 0 "[ . 1 . 2]" 1
595 1 30 VAL HB 1 47 ILE HG12 . . 4.380 3.995 3.564 4.258 . 0 0 "[ . 1 . 2]" 1
596 1 30 VAL HB 1 47 ILE QG . . 3.780 3.557 3.298 3.702 . 0 0 "[ . 1 . 2]" 1
597 1 30 VAL HB 1 47 ILE HG13 . . 4.380 4.004 3.883 4.197 . 0 0 "[ . 1 . 2]" 1
598 1 30 VAL MG1 1 31 MET H . . 4.360 3.665 3.530 3.768 . 0 0 "[ . 1 . 2]" 1
599 1 30 VAL MG1 1 32 ARG H . . 5.020 4.690 4.636 4.735 . 0 0 "[ . 1 . 2]" 1
600 1 30 VAL MG1 1 34 PHE H . . 4.310 3.764 3.571 4.075 . 0 0 "[ . 1 . 2]" 1
601 1 30 VAL MG1 1 34 PHE QD . . 3.720 3.075 2.492 3.664 . 0 0 "[ . 1 . 2]" 1
602 1 30 VAL MG1 1 46 GLU H . . 4.580 4.165 3.562 4.475 . 0 0 "[ . 1 . 2]" 1
603 1 30 VAL MG1 1 46 GLU HA . . 4.720 4.550 4.361 4.677 . 0 0 "[ . 1 . 2]" 1
604 1 30 VAL MG1 1 46 GLU HB2 . . 3.350 2.263 1.934 2.605 . 0 0 "[ . 1 . 2]" 1
605 1 30 VAL MG1 1 46 GLU HB3 . . 3.800 2.621 2.199 2.926 . 0 0 "[ . 1 . 2]" 1
606 1 30 VAL MG1 1 46 GLU QG . . 4.680 3.105 2.712 3.706 . 0 0 "[ . 1 . 2]" 1
607 1 30 VAL MG1 1 47 ILE H . . 4.610 3.555 3.316 3.729 . 0 0 "[ . 1 . 2]" 1
608 1 30 VAL MG1 1 47 ILE MD . . 4.110 3.473 3.174 3.731 . 0 0 "[ . 1 . 2]" 1
609 1 30 VAL MG1 1 47 ILE QG . . 4.000 2.700 2.503 2.894 . 0 0 "[ . 1 . 2]" 1
610 1 30 VAL MG1 1 50 TYR QB . . 5.500 4.473 3.827 4.723 . 0 0 "[ . 1 . 2]" 1
611 1 30 VAL MG2 1 31 MET H . . 4.200 3.782 3.715 3.831 . 0 0 "[ . 1 . 2]" 1
612 1 30 VAL MG2 1 32 ARG H . . 5.420 5.091 5.058 5.113 . 0 0 "[ . 1 . 2]" 1
613 1 30 VAL MG2 1 46 GLU QG . . 5.340 4.727 4.385 5.172 . 0 0 "[ . 1 . 2]" 1
614 1 30 VAL MG2 1 47 ILE H . . 4.070 3.482 3.208 3.708 . 0 0 "[ . 1 . 2]" 1
615 1 30 VAL MG2 1 47 ILE HA . . 3.390 2.817 2.389 3.047 . 0 0 "[ . 1 . 2]" 1
616 1 30 VAL MG2 1 47 ILE MD . . 3.970 2.835 2.653 3.135 . 0 0 "[ . 1 . 2]" 1
617 1 30 VAL MG2 1 47 ILE QG . . 3.980 1.816 1.752 1.938 . 0 0 "[ . 1 . 2]" 1
618 1 30 VAL MG2 1 47 ILE MG . . 4.450 3.311 3.071 3.512 . 0 0 "[ . 1 . 2]" 1
619 1 30 VAL MG2 1 50 TYR QB . . 3.620 3.503 2.829 3.632 0.012 16 0 "[ . 1 . 2]" 1
620 1 30 VAL MG2 1 50 TYR QD . . 4.020 3.699 3.355 4.020 0.000 20 0 "[ . 1 . 2]" 1
621 1 31 MET H 1 31 MET HB2 . . 3.800 2.269 2.210 2.346 . 0 0 "[ . 1 . 2]" 1
622 1 31 MET H 1 31 MET QB . . 3.230 2.244 2.188 2.315 . 0 0 "[ . 1 . 2]" 1
623 1 31 MET H 1 31 MET HB3 . . 3.800 3.541 3.514 3.567 . 0 0 "[ . 1 . 2]" 1
624 1 31 MET H 1 31 MET ME . . 5.500 4.902 4.811 5.013 . 0 0 "[ . 1 . 2]" 1
625 1 31 MET H 1 31 MET HG2 . . 3.990 3.322 3.119 3.502 . 0 0 "[ . 1 . 2]" 1
626 1 31 MET H 1 31 MET QG . . 3.380 2.694 2.504 2.795 . 0 0 "[ . 1 . 2]" 1
627 1 31 MET H 1 31 MET HG3 . . 3.990 2.857 2.589 2.969 . 0 0 "[ . 1 . 2]" 1
628 1 31 MET H 1 32 ARG H . . 3.370 2.686 2.670 2.705 . 0 0 "[ . 1 . 2]" 1
629 1 31 MET H 1 33 ARG H . . 4.670 4.100 4.052 4.189 . 0 0 "[ . 1 . 2]" 1
630 1 31 MET H 1 34 PHE H . . 5.490 5.054 4.943 5.228 . 0 0 "[ . 1 . 2]" 1
631 1 31 MET HA 1 31 MET ME . . 4.070 4.068 4.019 4.100 0.030 10 0 "[ . 1 . 2]" 1
632 1 31 MET HA 1 31 MET HG2 . . 3.790 2.186 2.139 2.266 . 0 0 "[ . 1 . 2]" 1
633 1 31 MET HA 1 31 MET QG . . 3.260 2.155 2.112 2.222 . 0 0 "[ . 1 . 2]" 1
634 1 31 MET HA 1 31 MET HG3 . . 3.790 3.282 3.133 3.406 . 0 0 "[ . 1 . 2]" 1
635 1 31 MET HA 1 32 ARG H . . 3.490 3.467 3.465 3.469 . 0 0 "[ . 1 . 2]" 1
636 1 31 MET HA 1 33 ARG H . . 5.170 3.714 3.527 4.012 . 0 0 "[ . 1 . 2]" 1
637 1 31 MET HA 1 34 PHE H . . 3.670 3.358 3.084 3.682 0.012 1 0 "[ . 1 . 2]" 1
638 1 31 MET HA 1 38 LEU MD1 . . 4.060 2.711 2.527 2.888 . 0 0 "[ . 1 . 2]" 1
639 1 31 MET HA 1 43 LEU MD2 . . 3.890 3.050 2.433 3.621 . 0 0 "[ . 1 . 2]" 1
640 1 31 MET QB 1 32 ARG H . . 3.310 2.912 2.893 2.929 . 0 0 "[ . 1 . 2]" 1
641 1 31 MET ME 1 31 MET HG2 . . 3.530 2.243 2.136 2.394 . 0 0 "[ . 1 . 2]" 1
642 1 31 MET ME 1 31 MET HG3 . . 3.530 2.683 2.634 2.779 . 0 0 "[ . 1 . 2]" 1
643 1 31 MET ME 1 38 LEU HA . . 4.520 3.835 3.227 4.354 . 0 0 "[ . 1 . 2]" 1
644 1 31 MET ME 1 38 LEU MD1 . . 3.070 1.912 1.864 1.968 . 0 0 "[ . 1 . 2]" 1
645 1 31 MET ME 1 38 LEU MD2 . . 4.810 3.849 3.654 4.173 . 0 0 "[ . 1 . 2]" 1
646 1 31 MET ME 1 43 LEU MD1 . . 3.180 2.571 1.931 3.016 . 0 0 "[ . 1 . 2]" 1
647 1 31 MET ME 1 43 LEU MD2 . . 3.880 3.835 3.600 3.892 0.012 11 0 "[ . 1 . 2]" 1
648 1 31 MET QG 1 43 LEU MD1 . . 4.040 2.755 1.982 3.262 . 0 0 "[ . 1 . 2]" 1
649 1 31 MET HG2 1 32 ARG H . . 5.240 4.973 4.899 5.049 . 0 0 "[ . 1 . 2]" 1
650 1 31 MET HG2 1 38 LEU MD1 . . 4.950 2.154 1.923 2.447 . 0 0 "[ . 1 . 2]" 1
651 1 31 MET HG2 1 43 LEU MD1 . . 4.800 2.893 2.036 3.537 . 0 0 "[ . 1 . 2]" 1
652 1 31 MET HG2 1 43 LEU MD2 . . 4.250 3.103 2.777 3.372 . 0 0 "[ . 1 . 2]" 1
653 1 31 MET HG3 1 32 ARG H . . 5.240 4.885 4.721 4.963 . 0 0 "[ . 1 . 2]" 1
654 1 31 MET HG3 1 38 LEU MD1 . . 4.950 3.481 3.316 3.721 . 0 0 "[ . 1 . 2]" 1
655 1 31 MET HG3 1 43 LEU MD1 . . 4.800 3.513 2.699 4.118 . 0 0 "[ . 1 . 2]" 1
656 1 31 MET HG3 1 43 LEU MD2 . . 4.250 3.967 3.311 4.258 0.008 15 0 "[ . 1 . 2]" 1
657 1 32 ARG H 1 32 ARG HB2 . . 3.860 2.422 2.272 2.596 . 0 0 "[ . 1 . 2]" 1
658 1 32 ARG H 1 32 ARG QB . . 2.990 2.242 2.186 2.284 . 0 0 "[ . 1 . 2]" 1
659 1 32 ARG H 1 32 ARG HB3 . . 3.860 2.684 2.529 2.851 . 0 0 "[ . 1 . 2]" 1
660 1 32 ARG H 1 32 ARG QD . . 4.590 4.362 4.174 4.472 . 0 0 "[ . 1 . 2]" 1
661 1 32 ARG H 1 32 ARG HG2 . . 4.820 4.369 4.258 4.448 . 0 0 "[ . 1 . 2]" 1
662 1 32 ARG H 1 32 ARG QG . . 4.200 3.961 3.876 4.041 . 0 0 "[ . 1 . 2]" 1
663 1 32 ARG H 1 32 ARG HG3 . . 4.820 4.535 4.459 4.638 . 0 0 "[ . 1 . 2]" 1
664 1 32 ARG H 1 33 ARG H . . 3.290 2.486 2.381 2.580 . 0 0 "[ . 1 . 2]" 1
665 1 32 ARG H 1 34 PHE H . . 4.300 4.261 4.138 4.313 0.013 16 0 "[ . 1 . 2]" 1
666 1 32 ARG HA 1 32 ARG QD . . 4.330 3.496 3.168 3.969 . 0 0 "[ . 1 . 2]" 1
667 1 32 ARG HA 1 32 ARG HG2 . . 3.530 2.296 2.171 2.498 . 0 0 "[ . 1 . 2]" 1
668 1 32 ARG HA 1 32 ARG QG . . 3.040 2.255 2.149 2.388 . 0 0 "[ . 1 . 2]" 1
669 1 32 ARG HA 1 32 ARG HG3 . . 3.530 3.385 3.038 3.491 . 0 0 "[ . 1 . 2]" 1
670 1 32 ARG HA 1 34 PHE H . . 4.620 4.564 4.351 4.629 0.009 18 0 "[ . 1 . 2]" 1
671 1 32 ARG HA 1 35 PRO HD3 . . 5.270 4.220 3.906 4.568 . 0 0 "[ . 1 . 2]" 1
672 1 32 ARG QB 1 32 ARG QD . . 3.280 2.049 1.964 2.171 . 0 0 "[ . 1 . 2]" 1
673 1 32 ARG QB 1 32 ARG QG . . 2.310 2.029 2.025 2.046 . 0 0 "[ . 1 . 2]" 1
674 1 32 ARG QB 1 33 ARG H . . 3.570 3.121 2.949 3.255 . 0 0 "[ . 1 . 2]" 1
675 1 32 ARG HB2 1 33 ARG H . . 4.350 4.068 3.914 4.248 . 0 0 "[ . 1 . 2]" 1
676 1 32 ARG HB3 1 33 ARG H . . 4.350 3.246 3.031 3.434 . 0 0 "[ . 1 . 2]" 1
677 1 32 ARG QD 1 33 ARG HA . . 4.210 3.691 3.120 4.201 . 0 0 "[ . 1 . 2]" 1
678 1 33 ARG H 1 33 ARG HB2 . . 3.430 2.615 2.081 2.745 . 0 0 "[ . 1 . 2]" 1
679 1 33 ARG H 1 33 ARG QB . . 2.950 2.313 2.058 2.371 . 0 0 "[ . 1 . 2]" 1
680 1 33 ARG H 1 33 ARG HB3 . . 3.430 2.626 2.464 3.249 . 0 0 "[ . 1 . 2]" 1
681 1 33 ARG H 1 33 ARG QD . . 4.880 4.519 4.152 4.748 . 0 0 "[ . 1 . 2]" 1
682 1 33 ARG H 1 33 ARG HG2 . . 4.710 4.545 4.162 4.699 . 0 0 "[ . 1 . 2]" 1
683 1 33 ARG H 1 33 ARG QG . . 4.120 4.000 3.466 4.069 . 0 0 "[ . 1 . 2]" 1
684 1 33 ARG H 1 33 ARG HG3 . . 4.710 4.448 3.709 4.564 . 0 0 "[ . 1 . 2]" 1
685 1 33 ARG H 1 34 PHE H . . 3.080 2.314 2.172 2.578 . 0 0 "[ . 1 . 2]" 1
686 1 33 ARG H 1 34 PHE HA . . 5.170 4.978 4.854 5.169 . 0 0 "[ . 1 . 2]" 1
687 1 33 ARG H 1 34 PHE HB2 . . 4.940 4.636 4.446 4.883 . 0 0 "[ . 1 . 2]" 1
688 1 33 ARG HA 1 33 ARG QD . . 4.380 3.676 2.469 4.220 . 0 0 "[ . 1 . 2]" 1
689 1 33 ARG HA 1 33 ARG HG2 . . 3.820 3.269 2.123 3.779 . 0 0 "[ . 1 . 2]" 1
690 1 33 ARG HA 1 33 ARG HG3 . . 3.820 2.523 2.187 2.956 . 0 0 "[ . 1 . 2]" 1
691 1 33 ARG HA 1 35 PRO HD2 . . 4.810 4.537 4.427 4.690 . 0 0 "[ . 1 . 2]" 1
692 1 33 ARG HA 1 35 PRO HD3 . . 4.840 3.508 3.429 3.674 . 0 0 "[ . 1 . 2]" 1
693 1 33 ARG QB 1 34 PHE H . . 3.550 2.565 2.416 2.743 . 0 0 "[ . 1 . 2]" 1
694 1 33 ARG QB 1 34 PHE HB2 . . 5.320 3.963 3.772 4.256 . 0 0 "[ . 1 . 2]" 1
695 1 33 ARG QB 1 34 PHE QD . . 4.180 2.103 1.989 2.305 . 0 0 "[ . 1 . 2]" 1
696 1 33 ARG HB2 1 34 PHE H . . 4.120 3.770 3.040 3.911 . 0 0 "[ . 1 . 2]" 1
697 1 33 ARG HB2 1 34 PHE QD . . 4.940 3.798 3.369 4.042 . 0 0 "[ . 1 . 2]" 1
698 1 33 ARG HB3 1 34 PHE H . . 4.120 2.616 2.448 2.803 . 0 0 "[ . 1 . 2]" 1
699 1 33 ARG HB3 1 34 PHE QD . . 4.940 2.113 1.997 2.318 . 0 0 "[ . 1 . 2]" 1
700 1 33 ARG HE 1 34 PHE QD . . 5.200 4.553 3.175 5.195 . 0 0 "[ . 1 . 2]" 1
701 1 33 ARG QG 1 34 PHE H . . 4.340 3.836 3.564 4.369 0.029 16 0 "[ . 1 . 2]" 1
702 1 34 PHE H 1 34 PHE HB2 . . 3.860 2.490 2.435 2.590 . 0 0 "[ . 1 . 2]" 1
703 1 34 PHE H 1 34 PHE HB3 . . 3.750 3.684 3.642 3.736 . 0 0 "[ . 1 . 2]" 1
704 1 34 PHE H 1 34 PHE QD . . 3.220 2.640 2.415 3.014 . 0 0 "[ . 1 . 2]" 1
705 1 34 PHE H 1 35 PRO HA . . 4.970 4.675 4.611 4.709 . 0 0 "[ . 1 . 2]" 1
706 1 34 PHE H 1 35 PRO HD2 . . 4.240 4.053 3.959 4.107 . 0 0 "[ . 1 . 2]" 1
707 1 34 PHE H 1 35 PRO HD3 . . 4.000 3.336 3.205 3.411 . 0 0 "[ . 1 . 2]" 1
708 1 34 PHE HA 1 34 PHE QD . . 4.210 3.076 2.967 3.137 . 0 0 "[ . 1 . 2]" 1
709 1 34 PHE HA 1 35 PRO HD2 . . 3.370 2.070 2.038 2.111 . 0 0 "[ . 1 . 2]" 1
710 1 34 PHE HA 1 35 PRO HD3 . . 3.600 2.909 2.862 2.968 . 0 0 "[ . 1 . 2]" 1
711 1 34 PHE HA 1 36 GLN H . . 4.250 3.108 3.077 3.148 . 0 0 "[ . 1 . 2]" 1
712 1 34 PHE HA 1 37 LEU H . . 4.460 3.546 3.427 3.711 . 0 0 "[ . 1 . 2]" 1
713 1 34 PHE HB2 1 36 GLN H . . 5.100 4.770 4.688 4.834 . 0 0 "[ . 1 . 2]" 1
714 1 34 PHE HB2 1 37 LEU H . . 4.260 3.936 3.776 4.067 . 0 0 "[ . 1 . 2]" 1
715 1 34 PHE HB2 1 37 LEU HB2 . . 4.640 4.279 4.089 4.441 . 0 0 "[ . 1 . 2]" 1
716 1 34 PHE HB2 1 37 LEU HB3 . . 4.430 3.935 3.610 4.138 . 0 0 "[ . 1 . 2]" 1
717 1 34 PHE HB3 1 36 GLN H . . 5.120 3.616 3.500 3.716 . 0 0 "[ . 1 . 2]" 1
718 1 34 PHE HB3 1 37 LEU H . . 4.410 2.519 2.459 2.591 . 0 0 "[ . 1 . 2]" 1
719 1 34 PHE HB3 1 37 LEU HB2 . . 4.990 2.572 2.368 2.726 . 0 0 "[ . 1 . 2]" 1
720 1 34 PHE HB3 1 37 LEU HB3 . . 4.960 2.680 2.385 2.945 . 0 0 "[ . 1 . 2]" 1
721 1 34 PHE HB3 1 37 LEU MD1 . . 4.540 4.019 3.774 4.208 . 0 0 "[ . 1 . 2]" 1
722 1 34 PHE HB3 1 37 LEU MD2 . . 4.900 4.576 4.373 4.772 . 0 0 "[ . 1 . 2]" 1
723 1 34 PHE HB3 1 37 LEU HG . . 5.190 4.915 4.693 5.070 . 0 0 "[ . 1 . 2]" 1
724 1 34 PHE QD 1 37 LEU HB2 . . 5.500 2.189 2.006 2.494 . 0 0 "[ . 1 . 2]" 1
725 1 34 PHE QD 1 37 LEU HB3 . . 4.360 2.661 2.317 3.175 . 0 0 "[ . 1 . 2]" 1
726 1 35 PRO HA 1 37 LEU H . . 4.360 4.215 4.112 4.289 . 0 0 "[ . 1 . 2]" 1
727 1 35 PRO HD2 1 36 GLN H . . 3.970 2.837 2.780 2.861 . 0 0 "[ . 1 . 2]" 1
728 1 35 PRO HD2 1 36 GLN HG2 . . 4.830 3.678 3.584 3.885 . 0 0 "[ . 1 . 2]" 1
729 1 35 PRO HD2 1 37 LEU H . . 5.330 4.298 4.137 4.447 . 0 0 "[ . 1 . 2]" 1
730 1 35 PRO HD3 1 36 GLN H . . 4.340 3.933 3.903 3.946 . 0 0 "[ . 1 . 2]" 1
731 1 35 PRO HD3 1 37 LEU H . . 5.480 5.244 5.157 5.321 . 0 0 "[ . 1 . 2]" 1
732 1 35 PRO HG2 1 36 GLN H . . 3.530 2.958 2.836 3.007 . 0 0 "[ . 1 . 2]" 1
733 1 35 PRO HG3 1 36 GLN H . . 4.610 4.351 4.258 4.388 . 0 0 "[ . 1 . 2]" 1
734 1 36 GLN H 1 36 GLN HB3 . . 3.220 2.842 2.803 2.868 . 0 0 "[ . 1 . 2]" 1
735 1 36 GLN H 1 36 GLN HE21 . . 5.400 4.596 3.230 5.398 . 0 0 "[ . 1 . 2]" 1
736 1 36 GLN H 1 36 GLN HG2 . . 3.380 2.242 2.169 2.296 . 0 0 "[ . 1 . 2]" 1
737 1 36 GLN H 1 36 GLN HG3 . . 3.810 3.428 3.328 3.649 . 0 0 "[ . 1 . 2]" 1
738 1 36 GLN H 1 37 LEU H . . 2.970 1.973 1.957 2.038 . 0 0 "[ . 1 . 2]" 1
739 1 36 GLN H 1 37 LEU HB2 . . 4.280 3.904 3.840 3.987 . 0 0 "[ . 1 . 2]" 1
740 1 36 GLN H 1 37 LEU HB3 . . 5.250 5.134 5.059 5.250 . 0 0 "[ . 1 . 2]" 1
741 1 36 GLN H 1 37 LEU HG . . 5.500 5.534 5.521 5.554 0.054 3 0 "[ . 1 . 2]" 1
742 1 36 GLN HA 1 36 GLN HE21 . . 5.470 4.919 4.395 5.360 . 0 0 "[ . 1 . 2]" 1
743 1 36 GLN HA 1 36 GLN HG2 . . 3.820 3.755 3.653 3.802 . 0 0 "[ . 1 . 2]" 1
744 1 36 GLN HA 1 36 GLN HG3 . . 3.900 3.722 3.678 3.839 . 0 0 "[ . 1 . 2]" 1
745 1 36 GLN HB2 1 36 GLN HE21 . . 4.800 3.129 2.033 4.152 . 0 0 "[ . 1 . 2]" 1
746 1 36 GLN HB3 1 36 GLN HE21 . . 4.720 3.158 2.452 3.883 . 0 0 "[ . 1 . 2]" 1
747 1 36 GLN HB3 1 37 LEU H . . 4.140 4.124 4.115 4.138 . 0 0 "[ . 1 . 2]" 1
748 1 36 GLN HG2 1 37 LEU H . . 4.240 2.897 2.642 3.014 . 0 0 "[ . 1 . 2]" 1
749 1 36 GLN HG2 1 37 LEU MD1 . . 4.710 4.571 4.285 4.701 . 0 0 "[ . 1 . 2]" 1
750 1 36 GLN HG3 1 37 LEU H . . 4.910 3.268 3.133 3.600 . 0 0 "[ . 1 . 2]" 1
751 1 36 GLN HG3 1 37 LEU HA . . 4.500 3.924 3.735 4.270 . 0 0 "[ . 1 . 2]" 1
752 1 36 GLN HG3 1 37 LEU MD1 . . 4.180 3.932 3.754 4.095 . 0 0 "[ . 1 . 2]" 1
753 1 37 LEU H 1 37 LEU HB2 . . 3.350 2.503 2.427 2.576 . 0 0 "[ . 1 . 2]" 1
754 1 37 LEU H 1 37 LEU HB3 . . 3.580 3.359 3.286 3.428 . 0 0 "[ . 1 . 2]" 1
755 1 37 LEU H 1 37 LEU MD1 . . 4.520 4.497 4.452 4.525 0.005 3 0 "[ . 1 . 2]" 1
756 1 37 LEU H 1 37 LEU MD2 . . 4.390 4.300 4.275 4.341 . 0 0 "[ . 1 . 2]" 1
757 1 37 LEU H 1 37 LEU HG . . 4.190 4.161 4.144 4.186 . 0 0 "[ . 1 . 2]" 1
758 1 37 LEU H 1 38 LEU H . . 4.530 4.155 3.971 4.276 . 0 0 "[ . 1 . 2]" 1
759 1 37 LEU HA 1 37 LEU MD1 . . 3.920 3.773 3.771 3.778 . 0 0 "[ . 1 . 2]" 1
760 1 37 LEU HA 1 37 LEU MD2 . . 3.320 2.136 2.099 2.180 . 0 0 "[ . 1 . 2]" 1
761 1 37 LEU HA 1 37 LEU HG . . 4.120 2.675 2.652 2.687 . 0 0 "[ . 1 . 2]" 1
762 1 37 LEU HA 1 38 LEU H . . 2.960 2.146 2.139 2.173 . 0 0 "[ . 1 . 2]" 1
763 1 37 LEU HB2 1 37 LEU MD1 . . 3.090 2.405 2.321 2.443 . 0 0 "[ . 1 . 2]" 1
764 1 37 LEU HB2 1 38 LEU H . . 5.100 4.573 4.518 4.625 . 0 0 "[ . 1 . 2]" 1
765 1 37 LEU HB3 1 37 LEU MD1 . . 3.240 2.278 2.248 2.311 . 0 0 "[ . 1 . 2]" 1
766 1 37 LEU HB3 1 37 LEU MD2 . . 3.170 2.353 2.310 2.374 . 0 0 "[ . 1 . 2]" 1
767 1 37 LEU HB3 1 38 LEU H . . 4.230 3.803 3.675 3.952 . 0 0 "[ . 1 . 2]" 1
768 1 37 LEU MD1 1 39 ASP QB . . 4.980 4.480 4.290 4.576 . 0 0 "[ . 1 . 2]" 1
769 1 37 LEU MD1 1 42 GLN QB . . 3.930 3.953 3.830 3.993 0.063 19 0 "[ . 1 . 2]" 1
770 1 37 LEU MD1 1 42 GLN HE21 . . 4.400 4.350 4.224 4.414 0.014 11 0 "[ . 1 . 2]" 1
771 1 37 LEU MD1 1 42 GLN HE22 . . 4.320 3.304 3.117 3.438 . 0 0 "[ . 1 . 2]" 1
772 1 37 LEU MD1 1 42 GLN HG2 . . 4.060 3.844 3.691 4.091 0.031 3 0 "[ . 1 . 2]" 1
773 1 37 LEU MD1 1 42 GLN HG3 . . 4.810 4.690 4.608 4.843 0.033 8 0 "[ . 1 . 2]" 1
774 1 37 LEU MD2 1 38 LEU H . . 3.750 2.751 2.485 3.037 . 0 0 "[ . 1 . 2]" 1
775 1 37 LEU MD2 1 39 ASP H . . 4.080 4.003 3.893 4.104 0.024 4 0 "[ . 1 . 2]" 1
776 1 37 LEU MD2 1 39 ASP QB . . 3.990 3.220 3.087 3.364 . 0 0 "[ . 1 . 2]" 1
777 1 37 LEU MD2 1 42 GLN QB . . 4.130 3.827 3.688 4.046 . 0 0 "[ . 1 . 2]" 1
778 1 37 LEU MD2 1 42 GLN HE21 . . 5.330 3.563 3.292 3.761 . 0 0 "[ . 1 . 2]" 1
779 1 37 LEU MD2 1 42 GLN HE22 . . 3.850 2.259 1.855 2.407 . 0 0 "[ . 1 . 2]" 1
780 1 37 LEU MD2 1 42 GLN HG2 . . 4.810 4.582 4.428 4.825 0.015 16 0 "[ . 1 . 2]" 1
781 1 37 LEU MD2 1 42 GLN HG3 . . 5.150 4.818 4.405 5.111 . 0 0 "[ . 1 . 2]" 1
782 1 37 LEU HG 1 38 LEU H . . 4.900 4.617 4.505 4.734 . 0 0 "[ . 1 . 2]" 1
783 1 37 LEU HG 1 42 GLN HE22 . . 5.050 4.985 4.528 5.063 0.013 10 0 "[ . 1 . 2]" 1
784 1 38 LEU H 1 38 LEU HB2 . . 3.490 2.552 2.435 2.626 . 0 0 "[ . 1 . 2]" 1
785 1 38 LEU H 1 38 LEU HB3 . . 4.110 3.716 3.647 3.766 . 0 0 "[ . 1 . 2]" 1
786 1 38 LEU H 1 38 LEU MD1 . . 4.110 3.921 3.847 4.055 . 0 0 "[ . 1 . 2]" 1
787 1 38 LEU H 1 38 LEU MD2 . . 4.210 2.606 2.496 2.709 . 0 0 "[ . 1 . 2]" 1
788 1 38 LEU H 1 38 LEU HG . . 4.510 4.515 4.402 4.551 0.041 2 0 "[ . 1 . 2]" 1
789 1 38 LEU H 1 39 ASP H . . 3.990 3.899 3.857 3.998 0.008 4 0 "[ . 1 . 2]" 1
790 1 38 LEU H 1 39 ASP HA . . 5.360 4.857 4.805 4.969 . 0 0 "[ . 1 . 2]" 1
791 1 38 LEU H 1 39 ASP QB . . 4.610 4.537 4.438 4.597 . 0 0 "[ . 1 . 2]" 1
792 1 38 LEU HA 1 38 LEU MD1 . . 3.090 2.045 1.971 2.106 . 0 0 "[ . 1 . 2]" 1
793 1 38 LEU HA 1 38 LEU MD2 . . 4.170 2.918 2.726 3.058 . 0 0 "[ . 1 . 2]" 1
794 1 38 LEU HA 1 43 LEU MD1 . . 3.300 3.031 2.138 3.306 0.006 1 0 "[ . 1 . 2]" 1
795 1 38 LEU HA 1 43 LEU MD2 . . 4.410 3.487 3.019 4.284 . 0 0 "[ . 1 . 2]" 1
796 1 38 LEU HB2 1 38 LEU MD1 . . 3.260 3.195 3.189 3.201 . 0 0 "[ . 1 . 2]" 1
797 1 38 LEU HB2 1 38 LEU MD2 . . 3.320 2.184 2.152 2.247 . 0 0 "[ . 1 . 2]" 1
798 1 38 LEU HB2 1 38 LEU HG . . 2.890 2.493 2.465 2.513 . 0 0 "[ . 1 . 2]" 1
799 1 38 LEU HB2 1 39 ASP H . . 4.630 4.519 4.495 4.547 . 0 0 "[ . 1 . 2]" 1
800 1 38 LEU HB3 1 38 LEU MD1 . . 3.300 2.357 2.303 2.382 . 0 0 "[ . 1 . 2]" 1
801 1 38 LEU HB3 1 39 ASP H . . 3.980 3.896 3.886 3.916 . 0 0 "[ . 1 . 2]" 1
802 1 39 ASP H 1 39 ASP QB . . 2.990 2.475 2.466 2.493 . 0 0 "[ . 1 . 2]" 1
803 1 39 ASP H 1 40 PRO HD2 . . 5.380 4.817 4.808 4.824 . 0 0 "[ . 1 . 2]" 1
804 1 39 ASP H 1 40 PRO QD . . 4.660 4.346 4.338 4.352 . 0 0 "[ . 1 . 2]" 1
805 1 39 ASP H 1 40 PRO HD3 . . 5.380 4.946 4.921 4.972 . 0 0 "[ . 1 . 2]" 1
806 1 39 ASP H 1 42 GLN H . . 5.500 4.993 4.678 5.182 . 0 0 "[ . 1 . 2]" 1
807 1 39 ASP H 1 42 GLN QB . . 4.320 3.314 2.927 3.511 . 0 0 "[ . 1 . 2]" 1
808 1 39 ASP H 1 42 GLN HE21 . . 5.500 5.327 4.749 5.512 0.012 4 0 "[ . 1 . 2]" 1
809 1 39 ASP H 1 43 LEU H . . 5.260 3.595 3.337 4.071 . 0 0 "[ . 1 . 2]" 1
810 1 39 ASP H 1 43 LEU MD1 . . 4.030 2.898 2.318 3.243 . 0 0 "[ . 1 . 2]" 1
811 1 39 ASP HA 1 40 PRO HD2 . . 3.190 2.374 2.337 2.419 . 0 0 "[ . 1 . 2]" 1
812 1 39 ASP HA 1 40 PRO HD3 . . 3.190 2.292 2.280 2.310 . 0 0 "[ . 1 . 2]" 1
813 1 39 ASP HA 1 40 PRO HG2 . . 4.800 4.485 4.454 4.523 . 0 0 "[ . 1 . 2]" 1
814 1 39 ASP HA 1 40 PRO HG3 . . 4.970 4.461 4.440 4.489 . 0 0 "[ . 1 . 2]" 1
815 1 39 ASP HA 1 41 GLN H . . 4.660 4.459 4.383 4.503 . 0 0 "[ . 1 . 2]" 1
816 1 39 ASP HA 1 42 GLN H . . 5.480 4.820 4.673 4.908 . 0 0 "[ . 1 . 2]" 1
817 1 39 ASP HA 1 42 GLN QB . . 5.280 4.288 4.200 4.327 . 0 0 "[ . 1 . 2]" 1
818 1 39 ASP HA 1 42 GLN HE21 . . 5.500 5.142 4.581 5.271 . 0 0 "[ . 1 . 2]" 1
819 1 39 ASP QB 1 40 PRO HD2 . . 4.580 2.491 2.394 2.648 . 0 0 "[ . 1 . 2]" 1
820 1 39 ASP QB 1 40 PRO HD3 . . 4.580 3.717 3.655 3.813 . 0 0 "[ . 1 . 2]" 1
821 1 39 ASP QB 1 41 GLN H . . 5.500 2.977 2.869 3.045 . 0 0 "[ . 1 . 2]" 1
822 1 39 ASP QB 1 42 GLN H . . 3.920 2.195 2.032 2.286 . 0 0 "[ . 1 . 2]" 1
823 1 39 ASP QB 1 42 GLN QB . . 4.000 1.860 1.814 1.939 . 0 0 "[ . 1 . 2]" 1
824 1 39 ASP QB 1 42 GLN HE21 . . 5.030 2.625 2.095 2.807 . 0 0 "[ . 1 . 2]" 1
825 1 39 ASP QB 1 43 LEU H . . 4.740 3.145 2.951 3.386 . 0 0 "[ . 1 . 2]" 1
826 1 40 PRO HA 1 43 LEU H . . 4.530 4.393 4.207 4.543 0.013 2 0 "[ . 1 . 2]" 1
827 1 40 PRO HA 1 43 LEU HB2 . . 3.770 3.526 3.348 3.644 . 0 0 "[ . 1 . 2]" 1
828 1 40 PRO HA 1 43 LEU HB3 . . 5.160 5.060 4.794 5.187 0.027 10 0 "[ . 1 . 2]" 1
829 1 40 PRO HA 1 43 LEU MD1 . . 3.770 3.358 3.012 3.758 . 0 0 "[ . 1 . 2]" 1
830 1 40 PRO HA 1 44 ALA H . . 5.280 4.912 4.569 5.089 . 0 0 "[ . 1 . 2]" 1
831 1 40 PRO HA 1 44 ALA MB . . 5.500 5.103 4.431 5.402 . 0 0 "[ . 1 . 2]" 1
832 1 40 PRO QB 1 41 GLN H . . 4.020 2.907 2.856 2.993 . 0 0 "[ . 1 . 2]" 1
833 1 40 PRO QB 1 41 GLN QE . . 5.030 3.442 2.295 4.499 . 0 0 "[ . 1 . 2]" 1
834 1 40 PRO QD 1 41 GLN H . . 3.710 2.692 2.658 2.715 . 0 0 "[ . 1 . 2]" 1
835 1 40 PRO QD 1 41 GLN QE . . 4.310 3.457 3.138 4.160 . 0 0 "[ . 1 . 2]" 1
836 1 40 PRO HD2 1 41 GLN H . . 4.600 2.747 2.710 2.773 . 0 0 "[ . 1 . 2]" 1
837 1 40 PRO HD3 1 41 GLN H . . 4.600 3.862 3.848 3.872 . 0 0 "[ . 1 . 2]" 1
838 1 40 PRO HG2 1 41 GLN H . . 4.450 1.943 1.891 2.035 . 0 0 "[ . 1 . 2]" 1
839 1 40 PRO HG2 1 41 GLN QE . . 5.070 2.143 1.925 3.170 . 0 0 "[ . 1 . 2]" 1
840 1 40 PRO HG2 1 42 GLN H . . 4.850 4.292 4.207 4.402 . 0 0 "[ . 1 . 2]" 1
841 1 41 GLN H 1 41 GLN HB2 . . 3.470 2.280 2.238 2.322 . 0 0 "[ . 1 . 2]" 1
842 1 41 GLN H 1 41 GLN HB3 . . 3.670 3.557 3.534 3.575 . 0 0 "[ . 1 . 2]" 1
843 1 41 GLN H 1 41 GLN HE21 . . 4.010 2.561 2.167 3.776 . 0 0 "[ . 1 . 2]" 1
844 1 41 GLN H 1 41 GLN QE . . 3.480 2.503 2.156 3.446 . 0 0 "[ . 1 . 2]" 1
845 1 41 GLN H 1 41 GLN HE22 . . 4.010 3.965 3.758 4.029 0.019 1 0 "[ . 1 . 2]" 1
846 1 41 GLN H 1 41 GLN QG . . 3.560 2.984 2.830 3.254 . 0 0 "[ . 1 . 2]" 1
847 1 41 GLN H 1 42 GLN H . . 3.230 2.521 2.459 2.601 . 0 0 "[ . 1 . 2]" 1
848 1 41 GLN H 1 43 LEU H . . 4.340 4.181 3.847 4.351 0.011 16 0 "[ . 1 . 2]" 1
849 1 41 GLN HA 1 41 GLN HE21 . . 5.500 4.042 3.536 4.715 . 0 0 "[ . 1 . 2]" 1
850 1 41 GLN HA 1 41 GLN QE . . 4.750 3.933 3.469 4.460 . 0 0 "[ . 1 . 2]" 1
851 1 41 GLN HA 1 41 GLN HE22 . . 5.500 5.431 5.022 5.509 0.009 14 0 "[ . 1 . 2]" 1
852 1 41 GLN HA 1 44 ALA H . . 3.660 3.422 3.226 3.480 . 0 0 "[ . 1 . 2]" 1
853 1 41 GLN HA 1 44 ALA MB . . 4.140 2.653 2.182 2.797 . 0 0 "[ . 1 . 2]" 1
854 1 41 GLN HB2 1 41 GLN HE21 . . 4.730 2.386 2.063 3.541 . 0 0 "[ . 1 . 2]" 1
855 1 41 GLN HB2 1 41 GLN QE . . 4.120 2.323 2.042 3.304 . 0 0 "[ . 1 . 2]" 1
856 1 41 GLN HB2 1 41 GLN HE22 . . 4.730 3.410 3.266 3.953 . 0 0 "[ . 1 . 2]" 1
857 1 41 GLN HB2 1 42 GLN H . . 3.590 2.528 2.458 2.641 . 0 0 "[ . 1 . 2]" 1
858 1 41 GLN HB2 1 42 GLN HE21 . . 5.500 5.073 4.695 5.240 . 0 0 "[ . 1 . 2]" 1
859 1 41 GLN HB3 1 41 GLN QE . . 4.140 3.577 3.017 4.140 0.000 5 0 "[ . 1 . 2]" 1
860 1 41 GLN HB3 1 41 GLN QG . . 2.580 2.157 2.130 2.172 . 0 0 "[ . 1 . 2]" 1
861 1 41 GLN HB3 1 42 GLN H . . 3.710 3.282 3.167 3.421 . 0 0 "[ . 1 . 2]" 1
862 1 42 GLN H 1 42 GLN QB . . 3.230 2.148 2.042 2.402 . 0 0 "[ . 1 . 2]" 1
863 1 42 GLN H 1 42 GLN HG2 . . 5.160 4.219 3.546 4.518 . 0 0 "[ . 1 . 2]" 1
864 1 42 GLN H 1 42 GLN HG3 . . 3.850 3.279 2.273 3.776 . 0 0 "[ . 1 . 2]" 1
865 1 42 GLN H 1 43 LEU H . . 3.360 2.937 2.786 3.017 . 0 0 "[ . 1 . 2]" 1
866 1 42 GLN H 1 44 ALA H . . 4.490 4.143 3.900 4.326 . 0 0 "[ . 1 . 2]" 1
867 1 42 GLN HA 1 42 GLN HE21 . . 5.500 4.397 4.087 5.004 . 0 0 "[ . 1 . 2]" 1
868 1 42 GLN HA 1 42 GLN HG2 . . 3.590 2.670 2.480 2.775 . 0 0 "[ . 1 . 2]" 1
869 1 42 GLN HA 1 42 GLN HG3 . . 3.750 2.482 2.279 2.907 . 0 0 "[ . 1 . 2]" 1
870 1 42 GLN HA 1 44 ALA H . . 4.440 4.173 3.984 4.395 . 0 0 "[ . 1 . 2]" 1
871 1 42 GLN HA 1 45 ALA H . . 3.850 3.561 3.409 3.733 . 0 0 "[ . 1 . 2]" 1
872 1 42 GLN HA 1 45 ALA MB . . 3.320 3.107 2.939 3.317 . 0 0 "[ . 1 . 2]" 1
873 1 42 GLN HA 1 46 GLU H . . 5.170 4.934 4.542 5.180 0.010 3 0 "[ . 1 . 2]" 1
874 1 42 GLN QB 1 43 LEU H . . 3.660 2.440 2.301 2.847 . 0 0 "[ . 1 . 2]" 1
875 1 43 LEU H 1 43 LEU HB2 . . 3.490 2.307 2.147 2.424 . 0 0 "[ . 1 . 2]" 1
876 1 43 LEU H 1 43 LEU HB3 . . 3.780 3.544 3.467 3.579 . 0 0 "[ . 1 . 2]" 1
877 1 43 LEU H 1 43 LEU MD1 . . 3.790 3.633 3.229 3.797 0.007 17 0 "[ . 1 . 2]" 1
878 1 43 LEU H 1 43 LEU MD2 . . 4.310 3.700 3.454 4.003 . 0 0 "[ . 1 . 2]" 1
879 1 43 LEU H 1 43 LEU HG . . 3.560 2.619 2.348 3.062 . 0 0 "[ . 1 . 2]" 1
880 1 43 LEU H 1 44 ALA H . . 3.440 2.736 2.546 2.804 . 0 0 "[ . 1 . 2]" 1
881 1 43 LEU H 1 45 ALA H . . 4.730 4.411 4.089 4.639 . 0 0 "[ . 1 . 2]" 1
882 1 43 LEU HA 1 43 LEU MD1 . . 3.940 3.837 3.807 3.894 . 0 0 "[ . 1 . 2]" 1
883 1 43 LEU HA 1 43 LEU MD2 . . 3.240 2.090 1.947 2.628 . 0 0 "[ . 1 . 2]" 1
884 1 43 LEU HA 1 43 LEU HG . . 3.900 2.845 2.553 2.970 . 0 0 "[ . 1 . 2]" 1
885 1 43 LEU HA 1 45 ALA H . . 5.230 4.294 3.843 4.623 . 0 0 "[ . 1 . 2]" 1
886 1 43 LEU HA 1 46 GLU H . . 3.810 3.451 3.278 3.563 . 0 0 "[ . 1 . 2]" 1
887 1 43 LEU HA 1 46 GLU HB2 . . 3.950 3.069 2.721 3.435 . 0 0 "[ . 1 . 2]" 1
888 1 43 LEU HA 1 46 GLU HB3 . . 5.030 4.637 4.329 5.011 . 0 0 "[ . 1 . 2]" 1
889 1 43 LEU HA 1 46 GLU HG2 . . 5.490 3.845 2.649 4.922 . 0 0 "[ . 1 . 2]" 1
890 1 43 LEU HA 1 46 GLU QG . . 4.630 3.341 2.451 4.502 . 0 0 "[ . 1 . 2]" 1
891 1 43 LEU HA 1 46 GLU HG3 . . 5.490 3.817 2.891 5.425 . 0 0 "[ . 1 . 2]" 1
892 1 43 LEU HB2 1 43 LEU MD1 . . 3.490 2.216 1.967 2.369 . 0 0 "[ . 1 . 2]" 1
893 1 43 LEU HB2 1 43 LEU MD2 . . 3.420 3.187 3.117 3.202 . 0 0 "[ . 1 . 2]" 1
894 1 43 LEU HB2 1 44 ALA H . . 3.820 2.849 2.703 2.988 . 0 0 "[ . 1 . 2]" 1
895 1 43 LEU HB3 1 43 LEU MD1 . . 3.460 2.441 2.271 2.693 . 0 0 "[ . 1 . 2]" 1
896 1 43 LEU HB3 1 43 LEU MD2 . . 3.520 2.282 2.008 2.355 . 0 0 "[ . 1 . 2]" 1
897 1 43 LEU HB3 1 44 ALA H . . 4.980 3.538 3.298 3.863 . 0 0 "[ . 1 . 2]" 1
898 1 43 LEU MD1 1 44 ALA H . . 4.830 4.654 4.528 4.769 . 0 0 "[ . 1 . 2]" 1
899 1 44 ALA H 1 44 ALA MB . . 3.180 2.182 2.035 2.233 . 0 0 "[ . 1 . 2]" 1
900 1 44 ALA H 1 45 ALA H . . 3.420 2.757 2.629 2.894 . 0 0 "[ . 1 . 2]" 1
901 1 44 ALA H 1 46 GLU H . . 4.760 4.285 4.057 4.609 . 0 0 "[ . 1 . 2]" 1
902 1 44 ALA H 1 47 ILE MD . . 4.980 3.673 3.331 3.992 . 0 0 "[ . 1 . 2]" 1
903 1 44 ALA HA 1 47 ILE H . . 3.960 3.493 3.091 3.815 . 0 0 "[ . 1 . 2]" 1
904 1 44 ALA HA 1 47 ILE HB . . 3.740 2.760 2.545 3.224 . 0 0 "[ . 1 . 2]" 1
905 1 44 ALA HA 1 47 ILE MD . . 3.600 2.128 1.929 2.401 . 0 0 "[ . 1 . 2]" 1
906 1 44 ALA HA 1 48 LEU H . . 4.720 4.084 3.659 4.526 . 0 0 "[ . 1 . 2]" 1
907 1 44 ALA HA 1 48 LEU QD . . 4.830 4.346 4.165 4.560 . 0 0 "[ . 1 . 2]" 1
908 1 44 ALA MB 1 45 ALA H . . 3.150 2.519 2.278 2.777 . 0 0 "[ . 1 . 2]" 1
909 1 44 ALA MB 1 48 LEU QD . . 3.200 3.168 2.970 3.206 0.006 16 0 "[ . 1 . 2]" 1
910 1 45 ALA H 1 45 ALA MB . . 2.950 2.101 2.024 2.237 . 0 0 "[ . 1 . 2]" 1
911 1 45 ALA H 1 46 GLU H . . 3.360 2.744 2.627 2.907 . 0 0 "[ . 1 . 2]" 1
912 1 45 ALA H 1 47 ILE H . . 4.680 4.206 4.065 4.466 . 0 0 "[ . 1 . 2]" 1
913 1 45 ALA H 1 48 LEU QD . . 4.400 4.210 3.988 4.391 . 0 0 "[ . 1 . 2]" 1
914 1 45 ALA HA 1 47 ILE H . . 4.820 4.576 4.289 4.800 . 0 0 "[ . 1 . 2]" 1
915 1 45 ALA HA 1 48 LEU H . . 4.130 3.714 3.435 3.937 . 0 0 "[ . 1 . 2]" 1
916 1 45 ALA HA 1 48 LEU HB2 . . 3.750 2.900 2.645 3.308 . 0 0 "[ . 1 . 2]" 1
917 1 45 ALA HA 1 48 LEU QD . . 3.630 2.556 2.214 2.975 . 0 0 "[ . 1 . 2]" 1
918 1 45 ALA MB 1 46 GLU H . . 3.360 2.595 2.231 2.794 . 0 0 "[ . 1 . 2]" 1
919 1 46 GLU H 1 46 GLU HB2 . . 3.400 2.477 2.130 2.689 . 0 0 "[ . 1 . 2]" 1
920 1 46 GLU H 1 46 GLU HB3 . . 3.700 3.579 3.454 3.612 . 0 0 "[ . 1 . 2]" 1
921 1 46 GLU H 1 46 GLU HG2 . . 4.200 2.813 1.948 4.126 . 0 0 "[ . 1 . 2]" 1
922 1 46 GLU H 1 46 GLU QG . . 3.320 2.349 1.939 3.278 . 0 0 "[ . 1 . 2]" 1
923 1 46 GLU H 1 46 GLU HG3 . . 4.200 3.273 1.979 4.060 . 0 0 "[ . 1 . 2]" 1
924 1 46 GLU H 1 47 ILE H . . 3.500 2.624 2.418 2.857 . 0 0 "[ . 1 . 2]" 1
925 1 46 GLU HA 1 46 GLU QG . . 3.660 2.746 2.154 3.147 . 0 0 "[ . 1 . 2]" 1
926 1 46 GLU HA 1 48 LEU H . . 4.850 4.410 3.967 4.707 . 0 0 "[ . 1 . 2]" 1
927 1 46 GLU HA 1 49 SER H . . 3.970 3.579 3.426 3.658 . 0 0 "[ . 1 . 2]" 1
928 1 46 GLU HA 1 49 SER QB . . 3.290 3.136 2.942 3.293 0.003 16 0 "[ . 1 . 2]" 1
929 1 46 GLU HB2 1 47 ILE H . . 4.450 2.600 2.342 2.866 . 0 0 "[ . 1 . 2]" 1
930 1 46 GLU HB3 1 47 ILE H . . 4.150 3.598 3.135 3.980 . 0 0 "[ . 1 . 2]" 1
931 1 47 ILE H 1 47 ILE HB . . 3.410 2.548 2.523 2.594 . 0 0 "[ . 1 . 2]" 1
932 1 47 ILE H 1 47 ILE MD . . 3.980 3.260 3.123 3.481 . 0 0 "[ . 1 . 2]" 1
933 1 47 ILE H 1 47 ILE HG12 . . 4.490 3.553 3.466 3.637 . 0 0 "[ . 1 . 2]" 1
934 1 47 ILE H 1 47 ILE QG . . 3.720 2.068 1.968 2.127 . 0 0 "[ . 1 . 2]" 1
935 1 47 ILE H 1 47 ILE HG13 . . 4.490 2.082 1.980 2.143 . 0 0 "[ . 1 . 2]" 1
936 1 47 ILE H 1 47 ILE MG . . 4.330 3.764 3.762 3.766 . 0 0 "[ . 1 . 2]" 1
937 1 47 ILE H 1 48 LEU H . . 3.620 2.721 2.592 2.801 . 0 0 "[ . 1 . 2]" 1
938 1 47 ILE H 1 49 SER H . . 4.720 4.204 4.026 4.498 . 0 0 "[ . 1 . 2]" 1
939 1 47 ILE H 1 50 TYR QB . . 5.350 4.585 4.334 4.998 . 0 0 "[ . 1 . 2]" 1
940 1 47 ILE HA 1 47 ILE MD . . 4.420 3.878 3.861 3.884 . 0 0 "[ . 1 . 2]" 1
941 1 47 ILE HA 1 47 ILE HG12 . . 4.070 2.715 2.589 2.779 . 0 0 "[ . 1 . 2]" 1
942 1 47 ILE HA 1 47 ILE QG . . 3.530 2.443 2.426 2.451 . 0 0 "[ . 1 . 2]" 1
943 1 47 ILE HA 1 47 ILE HG13 . . 4.070 2.780 2.695 2.929 . 0 0 "[ . 1 . 2]" 1
944 1 47 ILE HA 1 47 ILE MG . . 3.590 2.359 2.304 2.407 . 0 0 "[ . 1 . 2]" 1
945 1 47 ILE HA 1 49 SER H . . 5.010 4.185 3.847 4.584 . 0 0 "[ . 1 . 2]" 1
946 1 47 ILE HA 1 50 TYR H . . 4.150 3.291 3.068 3.516 . 0 0 "[ . 1 . 2]" 1
947 1 47 ILE HA 1 50 TYR QB . . 4.030 2.351 2.104 2.711 . 0 0 "[ . 1 . 2]" 1
948 1 47 ILE HA 1 51 LYS H . . 4.780 3.888 3.669 4.555 . 0 0 "[ . 1 . 2]" 1
949 1 47 ILE HB 1 47 ILE MD . . 3.620 2.234 2.142 2.316 . 0 0 "[ . 1 . 2]" 1
950 1 47 ILE HB 1 48 LEU H . . 3.760 2.603 2.391 2.977 . 0 0 "[ . 1 . 2]" 1
951 1 47 ILE HB 1 48 LEU HA . . 5.500 4.217 4.171 4.329 . 0 0 "[ . 1 . 2]" 1
952 1 47 ILE HB 1 48 LEU HB2 . . 5.500 4.682 4.504 4.865 . 0 0 "[ . 1 . 2]" 1
953 1 47 ILE HB 1 48 LEU HG . . 5.500 3.959 3.637 4.163 . 0 0 "[ . 1 . 2]" 1
954 1 47 ILE MD 1 47 ILE MG . . 3.410 2.232 2.035 2.368 . 0 0 "[ . 1 . 2]" 1
955 1 47 ILE MD 1 48 LEU H . . 5.040 4.342 4.132 4.626 . 0 0 "[ . 1 . 2]" 1
956 1 47 ILE HG12 1 47 ILE MG . . 3.680 2.257 2.160 2.363 . 0 0 "[ . 1 . 2]" 1
957 1 47 ILE HG13 1 47 ILE MG . . 3.680 3.170 3.154 3.197 . 0 0 "[ . 1 . 2]" 1
958 1 47 ILE MG 1 48 LEU H . . 4.400 3.426 3.230 3.703 . 0 0 "[ . 1 . 2]" 1
959 1 47 ILE MG 1 48 LEU HA . . 4.710 3.451 3.297 3.594 . 0 0 "[ . 1 . 2]" 1
960 1 47 ILE MG 1 48 LEU QD . . 4.420 4.202 4.065 4.352 . 0 0 "[ . 1 . 2]" 1
961 1 47 ILE MG 1 48 LEU HG . . 5.500 4.152 3.912 4.359 . 0 0 "[ . 1 . 2]" 1
962 1 47 ILE MG 1 50 TYR QB . . 5.500 3.382 2.792 3.708 . 0 0 "[ . 1 . 2]" 1
963 1 47 ILE MG 1 51 LYS H . . 4.760 3.747 3.473 4.053 . 0 0 "[ . 1 . 2]" 1
964 1 48 LEU H 1 48 LEU HB2 . . 3.190 2.232 2.147 2.378 . 0 0 "[ . 1 . 2]" 1
965 1 48 LEU H 1 48 LEU HB3 . . 3.630 3.519 3.469 3.571 . 0 0 "[ . 1 . 2]" 1
966 1 48 LEU H 1 48 LEU MD1 . . 4.020 3.490 3.228 3.730 . 0 0 "[ . 1 . 2]" 1
967 1 48 LEU H 1 48 LEU MD2 . . 4.020 3.985 3.846 4.023 0.003 3 0 "[ . 1 . 2]" 1
968 1 48 LEU H 1 48 LEU HG . . 4.160 2.822 2.492 3.012 . 0 0 "[ . 1 . 2]" 1
969 1 48 LEU H 1 49 SER H . . 2.810 2.743 2.521 2.815 0.005 4 0 "[ . 1 . 2]" 1
970 1 48 LEU H 1 50 TYR H . . 5.130 4.195 3.912 4.459 . 0 0 "[ . 1 . 2]" 1
971 1 48 LEU HA 1 48 LEU MD1 . . 4.030 3.821 3.804 3.864 . 0 0 "[ . 1 . 2]" 1
972 1 48 LEU HA 1 48 LEU QD . . 2.850 2.258 2.069 2.481 . 0 0 "[ . 1 . 2]" 1
973 1 48 LEU HA 1 48 LEU MD2 . . 4.030 2.275 2.078 2.514 . 0 0 "[ . 1 . 2]" 1
974 1 48 LEU HA 1 48 LEU HG . . 3.560 2.617 2.539 2.724 . 0 0 "[ . 1 . 2]" 1
975 1 48 LEU HA 1 51 LYS H . . 3.980 3.857 3.649 3.973 . 0 0 "[ . 1 . 2]" 1
976 1 48 LEU HA 1 51 LYS QB . . 3.560 3.214 2.805 3.524 . 0 0 "[ . 1 . 2]" 1
977 1 48 LEU HB2 1 49 SER H . . 3.510 2.837 2.596 3.020 . 0 0 "[ . 1 . 2]" 1
978 1 48 LEU HB2 1 49 SER HA . . 5.240 4.720 4.532 4.829 . 0 0 "[ . 1 . 2]" 1
979 1 48 LEU HB3 1 48 LEU QD . . 2.940 2.094 2.024 2.153 . 0 0 "[ . 1 . 2]" 1
980 1 48 LEU HB3 1 49 SER H . . 3.780 3.393 3.092 3.612 . 0 0 "[ . 1 . 2]" 1
981 1 48 LEU HB3 1 49 SER HA . . 4.660 4.125 3.999 4.280 . 0 0 "[ . 1 . 2]" 1
982 1 48 LEU QD 1 52 SER H . . 4.890 4.878 4.807 4.896 0.006 16 0 "[ . 1 . 2]" 1
983 1 48 LEU MD1 1 49 SER H . . 4.850 4.557 4.353 4.733 . 0 0 "[ . 1 . 2]" 1
984 1 48 LEU MD2 1 49 SER H . . 4.850 4.724 4.557 4.852 0.002 2 0 "[ . 1 . 2]" 1
985 1 49 SER H 1 49 SER QB . . 2.810 2.250 2.166 2.355 . 0 0 "[ . 1 . 2]" 1
986 1 49 SER H 1 50 TYR H . . 3.270 2.469 2.396 2.610 . 0 0 "[ . 1 . 2]" 1
987 1 49 SER H 1 50 TYR QB . . 4.420 4.196 4.151 4.344 . 0 0 "[ . 1 . 2]" 1
988 1 49 SER H 1 51 LYS H . . 5.090 3.989 3.812 4.184 . 0 0 "[ . 1 . 2]" 1
989 1 49 SER H 1 52 SER H . . 5.500 4.845 4.690 5.159 . 0 0 "[ . 1 . 2]" 1
990 1 49 SER HA 1 49 SER QB . . 2.760 2.318 2.158 2.468 . 0 0 "[ . 1 . 2]" 1
991 1 49 SER HA 1 51 LYS H . . 5.060 4.259 4.075 4.454 . 0 0 "[ . 1 . 2]" 1
992 1 49 SER HA 1 51 LYS QB . . 5.500 5.014 4.705 5.289 . 0 0 "[ . 1 . 2]" 1
993 1 49 SER HA 1 52 SER H . . 3.740 3.562 3.270 3.733 . 0 0 "[ . 1 . 2]" 1
994 1 49 SER HA 1 52 SER QB . . 3.260 2.837 2.454 3.263 0.003 16 0 "[ . 1 . 2]" 1
995 1 49 SER QB 1 50 TYR H . . 3.350 2.748 2.318 3.352 0.002 20 0 "[ . 1 . 2]" 1
996 1 49 SER QB 1 50 TYR QB . . 4.840 4.157 3.810 4.778 . 0 0 "[ . 1 . 2]" 1
997 1 50 TYR H 1 50 TYR QB . . 2.980 2.237 2.220 2.246 . 0 0 "[ . 1 . 2]" 1
998 1 50 TYR H 1 50 TYR QD . . 4.300 4.187 4.146 4.196 . 0 0 "[ . 1 . 2]" 1
999 1 50 TYR H 1 51 LYS H . . 3.410 2.693 2.516 2.795 . 0 0 "[ . 1 . 2]" 1
1000 1 50 TYR H 1 52 SER H . . 5.380 4.426 4.146 4.643 . 0 0 "[ . 1 . 2]" 1
1001 1 50 TYR HA 1 50 TYR QD . . 3.480 2.467 2.265 2.891 . 0 0 "[ . 1 . 2]" 1
1002 1 50 TYR HA 1 53 GLN H . . 4.560 3.704 3.407 3.914 . 0 0 "[ . 1 . 2]" 1
1003 1 50 TYR HA 1 53 GLN HB2 . . 4.520 2.728 2.130 3.166 . 0 0 "[ . 1 . 2]" 1
1004 1 50 TYR HA 1 53 GLN QB . . 3.870 2.693 2.113 3.107 . 0 0 "[ . 1 . 2]" 1
1005 1 50 TYR HA 1 53 GLN HB3 . . 4.520 4.171 3.526 4.519 . 0 0 "[ . 1 . 2]" 1
1006 1 50 TYR HA 1 53 GLN HE21 . . 5.500 4.585 3.693 5.378 . 0 0 "[ . 1 . 2]" 1
1007 1 50 TYR HA 1 53 GLN HE22 . . 5.500 5.294 4.881 5.502 0.002 20 0 "[ . 1 . 2]" 1
1008 1 50 TYR HA 1 53 GLN QG . . 4.100 3.145 2.330 3.953 . 0 0 "[ . 1 . 2]" 1
1009 1 50 TYR QB 1 51 LYS H . . 3.340 2.671 2.529 2.841 . 0 0 "[ . 1 . 2]" 1
1010 1 50 TYR QD 1 51 LYS H . . 3.900 3.819 3.608 3.900 0.000 16 0 "[ . 1 . 2]" 1
1011 1 50 TYR QD 1 51 LYS HA . . 4.410 4.000 3.459 4.265 . 0 0 "[ . 1 . 2]" 1
1012 1 51 LYS H 1 51 LYS QB . . 3.160 2.245 2.123 2.492 . 0 0 "[ . 1 . 2]" 1
1013 1 51 LYS H 1 51 LYS HD2 . . 5.410 4.667 3.960 5.412 0.002 19 0 "[ . 1 . 2]" 1
1014 1 51 LYS H 1 51 LYS QD . . 4.680 3.965 3.623 4.541 . 0 0 "[ . 1 . 2]" 1
1015 1 51 LYS H 1 51 LYS HD3 . . 5.410 4.416 3.867 5.399 . 0 0 "[ . 1 . 2]" 1
1016 1 51 LYS H 1 51 LYS HG2 . . 4.860 3.843 2.078 4.656 . 0 0 "[ . 1 . 2]" 1
1017 1 51 LYS H 1 51 LYS QG . . 4.180 3.460 2.060 4.074 . 0 0 "[ . 1 . 2]" 1
1018 1 51 LYS H 1 51 LYS HG3 . . 4.860 4.118 3.338 4.541 . 0 0 "[ . 1 . 2]" 1
1019 1 51 LYS H 1 52 SER H . . 3.400 2.679 2.535 2.873 . 0 0 "[ . 1 . 2]" 1
1020 1 51 LYS H 1 53 GLN H . . 4.460 3.846 3.679 4.068 . 0 0 "[ . 1 . 2]" 1
1021 1 51 LYS HA 1 51 LYS HD2 . . 4.370 2.939 2.140 4.200 . 0 0 "[ . 1 . 2]" 1
1022 1 51 LYS HA 1 51 LYS QD . . 3.570 2.530 2.122 3.446 . 0 0 "[ . 1 . 2]" 1
1023 1 51 LYS HA 1 51 LYS HD3 . . 4.370 3.177 2.268 4.287 . 0 0 "[ . 1 . 2]" 1
1024 1 51 LYS HA 1 51 LYS QE . . 4.560 3.694 1.991 4.500 . 0 0 "[ . 1 . 2]" 1
1025 1 51 LYS HA 1 51 LYS HG2 . . 4.210 3.246 2.240 3.694 . 0 0 "[ . 1 . 2]" 1
1026 1 51 LYS HA 1 51 LYS QG . . 3.330 2.551 2.168 2.845 . 0 0 "[ . 1 . 2]" 1
1027 1 51 LYS HA 1 51 LYS HG3 . . 4.210 3.034 2.194 3.819 . 0 0 "[ . 1 . 2]" 1
1028 1 51 LYS HA 1 54 HIS H . . 4.710 3.595 3.300 4.041 . 0 0 "[ . 1 . 2]" 1
1029 1 51 LYS HA 1 54 HIS QB . . 4.500 3.568 2.885 4.095 . 0 0 "[ . 1 . 2]" 1
1030 1 51 LYS QB 1 51 LYS HD2 . . 3.550 2.845 2.060 3.437 . 0 0 "[ . 1 . 2]" 1
1031 1 51 LYS QB 1 51 LYS QD . . 2.930 2.205 2.019 2.429 . 0 0 "[ . 1 . 2]" 1
1032 1 51 LYS QB 1 51 LYS HD3 . . 3.550 2.534 2.039 3.448 . 0 0 "[ . 1 . 2]" 1
1033 1 51 LYS QB 1 51 LYS QE . . 3.910 3.181 2.299 3.769 . 0 0 "[ . 1 . 2]" 1
1034 1 51 LYS QB 1 52 SER H . . 3.470 2.313 2.230 2.519 . 0 0 "[ . 1 . 2]" 1
1035 1 51 LYS QB 1 52 SER QB . . 4.410 3.841 3.607 4.290 . 0 0 "[ . 1 . 2]" 1
1036 1 51 LYS QE 1 51 LYS HG2 . . 3.780 2.581 2.074 3.284 . 0 0 "[ . 1 . 2]" 1
1037 1 51 LYS QE 1 51 LYS HG3 . . 3.780 2.748 2.097 3.491 . 0 0 "[ . 1 . 2]" 1
1038 1 51 LYS HG2 1 52 SER H . . 4.820 4.485 4.033 4.793 . 0 0 "[ . 1 . 2]" 1
1039 1 51 LYS HG3 1 52 SER H . . 4.820 4.375 4.048 4.818 . 0 0 "[ . 1 . 2]" 1
1040 1 52 SER H 1 52 SER QB . . 2.910 2.266 2.172 2.600 . 0 0 "[ . 1 . 2]" 1
1041 1 52 SER H 1 53 GLN H . . 3.250 2.693 2.520 2.809 . 0 0 "[ . 1 . 2]" 1
1042 1 52 SER H 1 54 HIS H . . 5.500 4.278 4.057 4.504 . 0 0 "[ . 1 . 2]" 1
1043 1 52 SER H 1 55 LEU MD1 . . 5.500 4.945 3.898 5.497 . 0 0 "[ . 1 . 2]" 1
1044 1 52 SER H 1 55 LEU MD2 . . 5.500 5.245 4.349 5.499 . 0 0 "[ . 1 . 2]" 1
1045 1 52 SER HA 1 52 SER QB . . 2.570 2.346 2.178 2.495 . 0 0 "[ . 1 . 2]" 1
1046 1 52 SER HA 1 55 LEU H . . 4.000 3.924 3.488 4.001 0.001 15 0 "[ . 1 . 2]" 1
1047 1 52 SER HA 1 55 LEU QB . . 4.260 2.443 2.170 4.174 . 0 0 "[ . 1 . 2]" 1
1048 1 52 SER HA 1 55 LEU MD1 . . 3.920 3.182 2.105 3.863 . 0 0 "[ . 1 . 2]" 1
1049 1 52 SER HA 1 55 LEU MD2 . . 3.920 3.066 2.120 3.879 . 0 0 "[ . 1 . 2]" 1
1050 1 52 SER QB 1 53 GLN H . . 3.630 2.897 2.590 3.551 . 0 0 "[ . 1 . 2]" 1
1051 1 53 GLN H 1 53 GLN HB2 . . 3.540 2.226 2.165 2.301 . 0 0 "[ . 1 . 2]" 1
1052 1 53 GLN H 1 53 GLN QB . . 3.020 2.203 2.145 2.274 . 0 0 "[ . 1 . 2]" 1
1053 1 53 GLN H 1 53 GLN HB3 . . 3.540 3.521 3.486 3.554 0.014 20 0 "[ . 1 . 2]" 1
1054 1 53 GLN H 1 53 GLN HG2 . . 3.960 3.382 2.733 3.928 . 0 0 "[ . 1 . 2]" 1
1055 1 53 GLN H 1 53 GLN QG . . 3.380 2.755 2.615 2.904 . 0 0 "[ . 1 . 2]" 1
1056 1 53 GLN H 1 53 GLN HG3 . . 3.960 3.087 2.777 3.489 . 0 0 "[ . 1 . 2]" 1
1057 1 53 GLN H 1 54 HIS H . . 3.650 2.645 2.516 2.750 . 0 0 "[ . 1 . 2]" 1
1058 1 53 GLN HA 1 53 GLN HE21 . . 5.500 4.353 3.655 4.976 . 0 0 "[ . 1 . 2]" 1
1059 1 53 GLN HA 1 53 GLN HE22 . . 5.500 5.282 4.857 5.501 0.001 16 0 "[ . 1 . 2]" 1
1060 1 53 GLN HA 1 53 GLN HG2 . . 3.700 2.302 2.147 2.437 . 0 0 "[ . 1 . 2]" 1
1061 1 53 GLN HA 1 53 GLN QG . . 3.160 2.249 2.112 2.402 . 0 0 "[ . 1 . 2]" 1
1062 1 53 GLN HA 1 53 GLN HG3 . . 3.700 3.238 2.837 3.642 . 0 0 "[ . 1 . 2]" 1
1063 1 53 GLN HA 1 54 HIS HD2 . . 4.270 4.175 3.878 4.269 . 0 0 "[ . 1 . 2]" 1
1064 1 53 GLN HA 1 55 LEU H . . 4.900 3.916 3.584 4.690 . 0 0 "[ . 1 . 2]" 1
1065 1 53 GLN QB 1 54 HIS HD2 . . 3.640 2.210 2.010 2.492 . 0 0 "[ . 1 . 2]" 1
1066 1 53 GLN HB2 1 54 HIS H . . 4.580 2.949 2.758 3.130 . 0 0 "[ . 1 . 2]" 1
1067 1 53 GLN HB2 1 54 HIS HD2 . . 4.190 2.919 2.401 3.769 . 0 0 "[ . 1 . 2]" 1
1068 1 53 GLN HB3 1 54 HIS H . . 4.580 3.532 3.258 3.702 . 0 0 "[ . 1 . 2]" 1
1069 1 53 GLN HB3 1 54 HIS HD2 . . 4.190 2.312 2.089 2.606 . 0 0 "[ . 1 . 2]" 1
1070 1 54 HIS H 1 54 HIS QB . . 3.610 2.408 2.342 2.566 . 0 0 "[ . 1 . 2]" 1
1071 1 54 HIS H 1 54 HIS HD2 . . 5.260 3.020 2.665 3.491 . 0 0 "[ . 1 . 2]" 1
1072 1 54 HIS H 1 55 LEU H . . 4.200 2.914 2.752 3.099 . 0 0 "[ . 1 . 2]" 1
1073 1 54 HIS HA 1 54 HIS HD2 . . 4.480 3.012 2.496 3.667 . 0 0 "[ . 1 . 2]" 1
1074 1 54 HIS HA 1 55 LEU H . . 3.250 2.805 2.530 2.952 . 0 0 "[ . 1 . 2]" 1
1075 1 54 HIS QB 1 54 HIS HD2 . . 3.480 3.159 2.921 3.301 . 0 0 "[ . 1 . 2]" 1
1076 1 54 HIS QB 1 54 HIS HE1 . . 4.490 4.362 4.352 4.396 . 0 0 "[ . 1 . 2]" 1
1077 1 54 HIS QB 1 55 LEU H . . 4.210 3.841 3.758 3.913 . 0 0 "[ . 1 . 2]" 1
1078 1 54 HIS HB2 1 55 LEU H . . 4.780 4.237 4.067 4.486 . 0 0 "[ . 1 . 2]" 1
1079 1 54 HIS HB3 1 55 LEU H . . 4.780 4.401 4.310 4.442 . 0 0 "[ . 1 . 2]" 1
1080 1 55 LEU H 1 55 LEU QB . . 2.910 2.434 2.208 2.747 . 0 0 "[ . 1 . 2]" 1
1081 1 55 LEU H 1 55 LEU MD1 . . 5.190 3.980 2.462 4.737 . 0 0 "[ . 1 . 2]" 1
1082 1 55 LEU H 1 55 LEU QD . . 4.500 3.607 2.433 3.941 . 0 0 "[ . 1 . 2]" 1
1083 1 55 LEU H 1 55 LEU MD2 . . 5.190 4.258 3.503 4.570 . 0 0 "[ . 1 . 2]" 1
1084 1 55 LEU H 1 55 LEU HG . . 4.780 4.297 2.222 4.720 . 0 0 "[ . 1 . 2]" 1
1085 1 55 LEU HA 1 55 LEU MD1 . . 3.950 2.575 2.053 3.861 . 0 0 "[ . 1 . 2]" 1
1086 1 55 LEU HA 1 55 LEU QD . . 3.040 2.305 2.033 3.030 . 0 0 "[ . 1 . 2]" 1
1087 1 55 LEU HA 1 55 LEU MD2 . . 3.950 3.599 2.040 3.909 . 0 0 "[ . 1 . 2]" 1
1088 1 55 LEU HA 1 55 LEU HG . . 3.530 2.820 2.390 3.369 . 0 0 "[ . 1 . 2]" 1
1089 1 55 LEU HA 1 56 SER H . . 3.540 2.474 2.140 3.566 0.026 7 0 "[ . 1 . 2]" 1
1090 1 55 LEU QB 1 55 LEU QD . . 2.860 1.879 1.795 1.946 . 0 0 "[ . 1 . 2]" 1
1091 1 55 LEU QB 1 56 SER H . . 3.840 3.314 1.927 3.826 . 0 0 "[ . 1 . 2]" 1
1092 1 55 LEU HG 1 56 SER H . . 4.290 3.027 2.125 4.289 . 0 0 "[ . 1 . 2]" 1
1093 1 56 SER H 1 56 SER QB . . 3.550 2.552 2.192 3.290 . 0 0 "[ . 1 . 2]" 1
1094 1 56 SER HA 1 57 GLU H . . 3.270 2.296 2.139 2.744 . 0 0 "[ . 1 . 2]" 1
1095 1 56 SER QB 1 57 GLU H . . 4.270 3.379 2.322 4.042 . 0 0 "[ . 1 . 2]" 1
1096 1 57 GLU H 1 57 GLU QB . . 3.420 2.555 2.168 3.375 . 0 0 "[ . 1 . 2]" 1
1097 1 57 GLU H 1 57 GLU QG . . 4.040 3.084 2.128 4.042 0.002 20 0 "[ . 1 . 2]" 1
1098 1 57 GLU HA 1 57 GLU QG . . 3.910 2.785 2.220 3.433 . 0 0 "[ . 1 . 2]" 1
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