NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
414563 |
2ctl   |
11138 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ctl
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 1852
_Distance_constraint_stats_list.Viol_count 374
_Distance_constraint_stats_list.Viol_total 51.383
_Distance_constraint_stats_list.Viol_max 0.068
_Distance_constraint_stats_list.Viol_rms 0.0013
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0069
_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 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLU 0.001 0.001 20 0 "[ . 1 . 2]"
1 9 GLN 0.019 0.010 1 0 "[ . 1 . 2]"
1 10 GLU 0.110 0.020 16 0 "[ . 1 . 2]"
1 11 ASP 0.090 0.020 16 0 "[ . 1 . 2]"
1 12 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ARG 0.003 0.002 11 0 "[ . 1 . 2]"
1 16 SER 0.006 0.002 15 0 "[ . 1 . 2]"
1 17 PHE 0.039 0.014 13 0 "[ . 1 . 2]"
1 18 LYS 0.010 0.004 13 0 "[ . 1 . 2]"
1 19 LEU 0.627 0.067 11 0 "[ . 1 . 2]"
1 20 SER 0.794 0.067 11 0 "[ . 1 . 2]"
1 21 VAL 0.215 0.027 15 0 "[ . 1 . 2]"
1 22 THR 0.026 0.014 18 0 "[ . 1 . 2]"
1 23 VAL 0.012 0.004 11 0 "[ . 1 . 2]"
1 24 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 PRO 0.023 0.004 9 0 "[ . 1 . 2]"
1 26 LYS 0.014 0.006 6 0 "[ . 1 . 2]"
1 27 TYR 0.040 0.026 12 0 "[ . 1 . 2]"
1 28 HIS 0.043 0.022 12 0 "[ . 1 . 2]"
1 29 PRO 0.022 0.022 12 0 "[ . 1 . 2]"
1 30 LYS 0.056 0.012 12 0 "[ . 1 . 2]"
1 31 ILE 0.026 0.009 12 0 "[ . 1 . 2]"
1 32 ILE 0.006 0.004 12 0 "[ . 1 . 2]"
1 33 GLY 0.006 0.004 12 0 "[ . 1 . 2]"
1 35 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 VAL 0.000 0.000 14 0 "[ . 1 . 2]"
1 39 ILE 0.045 0.035 20 0 "[ . 1 . 2]"
1 40 THR 0.039 0.035 20 0 "[ . 1 . 2]"
1 41 GLN 0.018 0.007 3 0 "[ . 1 . 2]"
1 42 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ASP 0.116 0.030 20 0 "[ . 1 . 2]"
1 48 VAL 0.005 0.004 17 0 "[ . 1 . 2]"
1 49 ASN 0.002 0.001 7 0 "[ . 1 . 2]"
1 50 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLN 0.046 0.011 16 0 "[ . 1 . 2]"
1 52 PHE 0.010 0.005 17 0 "[ . 1 . 2]"
1 53 PRO 0.017 0.005 11 0 "[ . 1 . 2]"
1 54 ASP 0.040 0.027 9 0 "[ . 1 . 2]"
1 55 LYS 0.070 0.038 9 0 "[ . 1 . 2]"
1 56 ASP 0.044 0.038 9 0 "[ . 1 . 2]"
1 57 ASP 0.029 0.015 6 0 "[ . 1 . 2]"
1 58 GLY 0.011 0.009 6 0 "[ . 1 . 2]"
1 59 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLN 0.029 0.015 6 0 "[ . 1 . 2]"
1 61 PRO 0.004 0.002 13 0 "[ . 1 . 2]"
1 62 GLN 0.124 0.016 2 0 "[ . 1 . 2]"
1 63 ASP 0.024 0.005 6 0 "[ . 1 . 2]"
1 64 GLN 0.029 0.006 6 0 "[ . 1 . 2]"
1 65 ILE 0.014 0.007 4 0 "[ . 1 . 2]"
1 66 THR 0.017 0.003 17 0 "[ . 1 . 2]"
1 67 ILE 0.005 0.002 13 0 "[ . 1 . 2]"
1 68 THR 0.012 0.004 13 0 "[ . 1 . 2]"
1 69 GLY 0.002 0.001 20 0 "[ . 1 . 2]"
1 70 TYR 0.003 0.002 11 0 "[ . 1 . 2]"
1 71 GLU 0.031 0.011 13 0 "[ . 1 . 2]"
1 72 LYS 0.058 0.034 5 0 "[ . 1 . 2]"
1 73 ASN 0.037 0.034 5 0 "[ . 1 . 2]"
1 74 THR 0.017 0.007 13 0 "[ . 1 . 2]"
1 75 GLU 0.070 0.011 13 0 "[ . 1 . 2]"
1 76 ALA 0.016 0.005 18 0 "[ . 1 . 2]"
1 77 ALA 0.027 0.006 10 0 "[ . 1 . 2]"
1 78 ARG 0.043 0.014 13 0 "[ . 1 . 2]"
1 79 ASP 0.029 0.006 10 0 "[ . 1 . 2]"
1 80 ALA 0.011 0.003 8 0 "[ . 1 . 2]"
1 81 ILE 0.019 0.005 17 0 "[ . 1 . 2]"
1 82 LEU 0.064 0.013 6 0 "[ . 1 . 2]"
1 83 ARG 0.050 0.021 8 0 "[ . 1 . 2]"
1 84 ILE 0.173 0.024 4 0 "[ . 1 . 2]"
1 85 VAL 0.017 0.005 8 0 "[ . 1 . 2]"
1 86 GLY 0.015 0.003 15 0 "[ . 1 . 2]"
1 87 GLU 0.404 0.068 19 0 "[ . 1 . 2]"
1 88 LEU 0.410 0.068 19 0 "[ . 1 . 2]"
1 89 GLU 0.065 0.016 16 0 "[ . 1 . 2]"
1 90 GLN 0.038 0.016 16 0 "[ . 1 . 2]"
1 91 MET 0.019 0.015 19 0 "[ . 1 . 2]"
1 92 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 PRO 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 QA 1 8 GLU QB . . 5.170 4.083 3.789 4.494 . 0 0 "[ . 1 . 2]" 1
2 1 8 GLU H 1 8 GLU QB . . 3.550 2.429 2.155 2.958 . 0 0 "[ . 1 . 2]" 1
3 1 8 GLU H 1 8 GLU QG . . 4.550 3.244 2.091 4.043 . 0 0 "[ . 1 . 2]" 1
4 1 8 GLU HA 1 8 GLU QG . . 3.760 2.515 2.179 3.396 . 0 0 "[ . 1 . 2]" 1
5 1 8 GLU QB 1 9 GLN H . . 3.870 2.809 2.078 3.871 0.001 20 0 "[ . 1 . 2]" 1
6 1 8 GLU HB2 1 9 GLN H . . 4.740 3.758 2.291 4.521 . 0 0 "[ . 1 . 2]" 1
7 1 8 GLU HB3 1 9 GLN H . . 4.740 3.046 2.099 4.306 . 0 0 "[ . 1 . 2]" 1
8 1 8 GLU QG 1 9 GLN H . . 4.620 3.809 2.897 4.579 . 0 0 "[ . 1 . 2]" 1
9 1 9 GLN H 1 9 GLN QG . . 4.320 2.939 1.933 4.297 . 0 0 "[ . 1 . 2]" 1
10 1 9 GLN HA 1 9 GLN QG . . 3.790 2.636 2.181 3.434 . 0 0 "[ . 1 . 2]" 1
11 1 9 GLN HA 1 10 GLU H . . 3.470 2.496 2.140 3.480 0.010 1 0 "[ . 1 . 2]" 1
12 1 9 GLN QB 1 10 GLU H . . 3.920 3.020 2.157 3.924 0.004 17 0 "[ . 1 . 2]" 1
13 1 9 GLN HB2 1 10 GLU H . . 4.730 3.722 2.173 4.588 . 0 0 "[ . 1 . 2]" 1
14 1 9 GLN HB3 1 10 GLU H . . 4.730 3.504 2.331 4.379 . 0 0 "[ . 1 . 2]" 1
15 1 9 GLN QG 1 10 GLU H . . 5.360 4.064 3.268 4.669 . 0 0 "[ . 1 . 2]" 1
16 1 10 GLU H 1 10 GLU QB . . 3.310 2.808 2.284 3.311 0.001 12 0 "[ . 1 . 2]" 1
17 1 10 GLU H 1 10 GLU QG . . 4.120 2.794 1.959 4.108 . 0 0 "[ . 1 . 2]" 1
18 1 10 GLU HA 1 10 GLU QG . . 3.720 3.105 2.340 3.513 . 0 0 "[ . 1 . 2]" 1
19 1 10 GLU HA 1 12 ARG H . . 4.230 3.794 3.473 4.067 . 0 0 "[ . 1 . 2]" 1
20 1 10 GLU HA 1 12 ARG QD . . 5.140 4.460 3.690 4.865 . 0 0 "[ . 1 . 2]" 1
21 1 10 GLU HA 1 12 ARG QG . . 3.610 3.167 2.944 3.499 . 0 0 "[ . 1 . 2]" 1
22 1 10 GLU HA 1 13 ALA H . . 4.600 3.953 3.692 4.489 . 0 0 "[ . 1 . 2]" 1
23 1 10 GLU QB 1 11 ASP H . . 4.020 3.919 3.470 4.040 0.020 16 0 "[ . 1 . 2]" 1
24 1 10 GLU QG 1 11 ASP H . . 4.590 3.943 2.151 4.590 . 0 0 "[ . 1 . 2]" 1
25 1 10 GLU QG 1 14 LEU MD1 . . 4.450 3.494 2.422 4.408 . 0 0 "[ . 1 . 2]" 1
26 1 11 ASP H 1 11 ASP QB . . 3.220 2.534 2.183 2.822 . 0 0 "[ . 1 . 2]" 1
27 1 11 ASP HA 1 13 ALA H . . 4.850 3.814 3.520 4.276 . 0 0 "[ . 1 . 2]" 1
28 1 11 ASP HA 1 14 LEU H . . 4.310 2.996 2.801 3.233 . 0 0 "[ . 1 . 2]" 1
29 1 11 ASP HA 1 14 LEU HB2 . . 4.390 2.304 2.001 2.889 . 0 0 "[ . 1 . 2]" 1
30 1 11 ASP HA 1 14 LEU HB3 . . 5.010 3.927 3.642 4.490 . 0 0 "[ . 1 . 2]" 1
31 1 11 ASP HA 1 14 LEU MD1 . . 4.100 2.267 1.889 2.648 . 0 0 "[ . 1 . 2]" 1
32 1 11 ASP HA 1 14 LEU HG . . 4.910 3.193 2.800 3.609 . 0 0 "[ . 1 . 2]" 1
33 1 11 ASP HA 1 15 ARG H . . 5.230 3.745 3.334 4.376 . 0 0 "[ . 1 . 2]" 1
34 1 11 ASP QB 1 12 ARG H . . 3.680 2.992 2.207 3.530 . 0 0 "[ . 1 . 2]" 1
35 1 11 ASP QB 1 12 ARG QB . . 5.420 4.658 4.114 5.094 . 0 0 "[ . 1 . 2]" 1
36 1 11 ASP QB 1 13 ALA H . . 5.160 4.652 4.324 5.031 . 0 0 "[ . 1 . 2]" 1
37 1 11 ASP QB 1 14 LEU H . . 4.980 4.554 4.132 4.883 . 0 0 "[ . 1 . 2]" 1
38 1 11 ASP QB 1 14 LEU HB2 . . 4.510 3.697 3.147 4.414 . 0 0 "[ . 1 . 2]" 1
39 1 11 ASP QB 1 14 LEU MD1 . . 4.610 3.383 2.847 4.018 . 0 0 "[ . 1 . 2]" 1
40 1 11 ASP QB 1 14 LEU HG . . 5.500 4.983 4.418 5.414 . 0 0 "[ . 1 . 2]" 1
41 1 12 ARG H 1 12 ARG QB . . 3.140 2.478 2.395 2.595 . 0 0 "[ . 1 . 2]" 1
42 1 12 ARG H 1 12 ARG QD . . 5.190 3.942 3.318 4.314 . 0 0 "[ . 1 . 2]" 1
43 1 12 ARG H 1 12 ARG HG2 . . 4.170 2.239 1.929 2.403 . 0 0 "[ . 1 . 2]" 1
44 1 12 ARG H 1 12 ARG QG . . 3.600 2.203 1.918 2.379 . 0 0 "[ . 1 . 2]" 1
45 1 12 ARG H 1 12 ARG HG3 . . 4.170 3.334 2.928 3.818 . 0 0 "[ . 1 . 2]" 1
46 1 12 ARG H 1 13 ALA H . . 3.730 2.871 2.745 2.996 . 0 0 "[ . 1 . 2]" 1
47 1 12 ARG H 1 14 LEU HB2 . . 5.500 5.183 4.946 5.422 . 0 0 "[ . 1 . 2]" 1
48 1 12 ARG H 1 15 ARG HG2 . . 4.910 4.456 4.135 4.902 . 0 0 "[ . 1 . 2]" 1
49 1 12 ARG HA 1 12 ARG QD . . 4.680 4.374 4.207 4.529 . 0 0 "[ . 1 . 2]" 1
50 1 12 ARG HA 1 12 ARG HG2 . . 3.900 3.750 3.613 3.892 . 0 0 "[ . 1 . 2]" 1
51 1 12 ARG HA 1 12 ARG QG . . 3.410 3.340 3.321 3.344 . 0 0 "[ . 1 . 2]" 1
52 1 12 ARG HA 1 12 ARG HG3 . . 3.900 3.758 3.638 3.899 . 0 0 "[ . 1 . 2]" 1
53 1 12 ARG HA 1 14 LEU H . . 5.260 4.746 4.391 4.961 . 0 0 "[ . 1 . 2]" 1
54 1 12 ARG HA 1 15 ARG H . . 4.490 4.096 3.747 4.386 . 0 0 "[ . 1 . 2]" 1
55 1 12 ARG HA 1 15 ARG QB . . 4.550 4.221 4.001 4.487 . 0 0 "[ . 1 . 2]" 1
56 1 12 ARG HA 1 15 ARG QD . . 4.170 2.851 2.022 3.930 . 0 0 "[ . 1 . 2]" 1
57 1 12 ARG HA 1 15 ARG HG2 . . 3.460 2.482 2.185 2.791 . 0 0 "[ . 1 . 2]" 1
58 1 12 ARG HA 1 15 ARG HG3 . . 4.670 3.610 2.354 4.162 . 0 0 "[ . 1 . 2]" 1
59 1 12 ARG QB 1 12 ARG HD2 . . 3.430 2.725 2.120 3.291 . 0 0 "[ . 1 . 2]" 1
60 1 12 ARG QB 1 12 ARG QD . . 3.000 2.182 2.035 2.367 . 0 0 "[ . 1 . 2]" 1
61 1 12 ARG QB 1 12 ARG HD3 . . 3.430 2.634 2.147 3.294 . 0 0 "[ . 1 . 2]" 1
62 1 12 ARG QB 1 13 ALA H . . 3.650 3.489 3.310 3.616 . 0 0 "[ . 1 . 2]" 1
63 1 12 ARG QB 1 13 ALA HA . . 4.470 4.340 4.216 4.469 . 0 0 "[ . 1 . 2]" 1
64 1 12 ARG QG 1 13 ALA H . . 4.420 2.218 1.883 2.468 . 0 0 "[ . 1 . 2]" 1
65 1 12 ARG QG 1 13 ALA HA . . 5.340 3.564 3.376 3.819 . 0 0 "[ . 1 . 2]" 1
66 1 12 ARG HG2 1 13 ALA H . . 5.060 2.821 2.205 3.474 . 0 0 "[ . 1 . 2]" 1
67 1 12 ARG HG3 1 13 ALA H . . 5.060 2.390 1.921 2.987 . 0 0 "[ . 1 . 2]" 1
68 1 13 ALA H 1 13 ALA MB . . 3.070 2.195 2.085 2.297 . 0 0 "[ . 1 . 2]" 1
69 1 13 ALA H 1 14 LEU HB2 . . 4.800 4.409 4.238 4.588 . 0 0 "[ . 1 . 2]" 1
70 1 13 ALA H 1 16 SER H . . 5.500 4.706 4.543 4.878 . 0 0 "[ . 1 . 2]" 1
71 1 13 ALA HA 1 15 ARG H . . 4.660 4.515 4.251 4.659 . 0 0 "[ . 1 . 2]" 1
72 1 13 ALA HA 1 16 SER H . . 4.230 3.396 3.163 3.589 . 0 0 "[ . 1 . 2]" 1
73 1 13 ALA HA 1 16 SER HB2 . . 4.420 3.291 2.378 4.276 . 0 0 "[ . 1 . 2]" 1
74 1 13 ALA HA 1 16 SER QB . . 3.840 2.637 2.361 3.222 . 0 0 "[ . 1 . 2]" 1
75 1 13 ALA HA 1 16 SER HB3 . . 4.420 2.926 2.446 3.975 . 0 0 "[ . 1 . 2]" 1
76 1 13 ALA MB 1 14 LEU H . . 3.500 2.590 2.314 2.793 . 0 0 "[ . 1 . 2]" 1
77 1 13 ALA MB 1 14 LEU HA . . 4.760 3.730 3.646 3.851 . 0 0 "[ . 1 . 2]" 1
78 1 13 ALA MB 1 14 LEU MD2 . . 4.600 4.040 3.785 4.314 . 0 0 "[ . 1 . 2]" 1
79 1 14 LEU H 1 14 LEU HB2 . . 3.300 2.410 2.326 2.603 . 0 0 "[ . 1 . 2]" 1
80 1 14 LEU H 1 14 LEU HB3 . . 3.720 3.573 3.556 3.591 . 0 0 "[ . 1 . 2]" 1
81 1 14 LEU H 1 14 LEU MD1 . . 4.120 3.489 3.179 3.824 . 0 0 "[ . 1 . 2]" 1
82 1 14 LEU H 1 14 LEU MD2 . . 3.940 3.616 3.389 3.791 . 0 0 "[ . 1 . 2]" 1
83 1 14 LEU H 1 14 LEU HG . . 3.310 2.392 2.043 2.563 . 0 0 "[ . 1 . 2]" 1
84 1 14 LEU H 1 15 ARG H . . 3.520 2.808 2.614 2.904 . 0 0 "[ . 1 . 2]" 1
85 1 14 LEU H 1 15 ARG HA . . 5.500 5.386 5.248 5.461 . 0 0 "[ . 1 . 2]" 1
86 1 14 LEU H 1 16 SER H . . 5.120 3.887 3.751 4.026 . 0 0 "[ . 1 . 2]" 1
87 1 14 LEU H 1 16 SER QB . . 5.340 4.900 4.762 5.330 . 0 0 "[ . 1 . 2]" 1
88 1 14 LEU HA 1 14 LEU MD1 . . 4.230 3.877 3.779 3.952 . 0 0 "[ . 1 . 2]" 1
89 1 14 LEU HA 1 14 LEU MD2 . . 3.070 2.167 1.968 2.378 . 0 0 "[ . 1 . 2]" 1
90 1 14 LEU HA 1 14 LEU HG . . 3.850 2.891 2.754 3.055 . 0 0 "[ . 1 . 2]" 1
91 1 14 LEU HA 1 16 SER H . . 4.460 3.899 3.624 4.183 . 0 0 "[ . 1 . 2]" 1
92 1 14 LEU HB2 1 14 LEU MD1 . . 3.310 2.180 2.015 2.373 . 0 0 "[ . 1 . 2]" 1
93 1 14 LEU HB2 1 15 ARG H . . 3.860 2.505 2.367 2.768 . 0 0 "[ . 1 . 2]" 1
94 1 14 LEU HB2 1 70 TYR QD . . 4.580 3.493 2.604 4.173 . 0 0 "[ . 1 . 2]" 1
95 1 14 LEU HB2 1 70 TYR QE . . 3.790 3.388 3.006 3.756 . 0 0 "[ . 1 . 2]" 1
96 1 14 LEU HB3 1 14 LEU MD1 . . 3.390 2.477 2.337 2.623 . 0 0 "[ . 1 . 2]" 1
97 1 14 LEU HB3 1 14 LEU MD2 . . 3.420 2.259 2.137 2.383 . 0 0 "[ . 1 . 2]" 1
98 1 14 LEU HB3 1 15 ARG H . . 5.090 3.399 3.187 3.657 . 0 0 "[ . 1 . 2]" 1
99 1 14 LEU HB3 1 70 TYR QD . . 3.720 2.562 2.048 3.389 . 0 0 "[ . 1 . 2]" 1
100 1 14 LEU HB3 1 70 TYR QE . . 3.970 3.627 2.781 3.950 . 0 0 "[ . 1 . 2]" 1
101 1 14 LEU MD1 1 70 TYR QD . . 4.840 3.137 2.424 4.028 . 0 0 "[ . 1 . 2]" 1
102 1 14 LEU MD1 1 70 TYR QE . . 4.190 2.988 2.043 4.083 . 0 0 "[ . 1 . 2]" 1
103 1 14 LEU MD2 1 15 ARG H . . 4.980 4.686 4.532 4.805 . 0 0 "[ . 1 . 2]" 1
104 1 14 LEU MD2 1 70 TYR QD . . 4.790 3.619 2.902 4.026 . 0 0 "[ . 1 . 2]" 1
105 1 14 LEU HG 1 15 ARG H . . 4.550 4.463 4.195 4.549 . 0 0 "[ . 1 . 2]" 1
106 1 15 ARG H 1 15 ARG HB2 . . 3.700 3.591 3.570 3.623 . 0 0 "[ . 1 . 2]" 1
107 1 15 ARG H 1 15 ARG QB . . 3.140 2.458 2.336 2.624 . 0 0 "[ . 1 . 2]" 1
108 1 15 ARG H 1 15 ARG HB3 . . 3.700 2.504 2.368 2.693 . 0 0 "[ . 1 . 2]" 1
109 1 15 ARG H 1 15 ARG QD . . 4.580 3.996 3.648 4.323 . 0 0 "[ . 1 . 2]" 1
110 1 15 ARG H 1 15 ARG HG2 . . 4.540 2.346 2.052 3.248 . 0 0 "[ . 1 . 2]" 1
111 1 15 ARG H 1 15 ARG HG3 . . 3.640 3.184 1.977 3.555 . 0 0 "[ . 1 . 2]" 1
112 1 15 ARG H 1 16 SER H . . 3.540 2.586 2.361 2.702 . 0 0 "[ . 1 . 2]" 1
113 1 15 ARG H 1 70 TYR QD . . 5.110 4.424 3.756 4.976 . 0 0 "[ . 1 . 2]" 1
114 1 15 ARG H 1 70 TYR QE . . 4.680 4.188 3.654 4.674 . 0 0 "[ . 1 . 2]" 1
115 1 15 ARG HA 1 15 ARG QD . . 4.570 4.331 3.710 4.545 . 0 0 "[ . 1 . 2]" 1
116 1 15 ARG HA 1 15 ARG HG3 . . 3.790 3.672 3.581 3.770 . 0 0 "[ . 1 . 2]" 1
117 1 15 ARG HA 1 17 PHE H . . 3.840 3.500 3.409 3.651 . 0 0 "[ . 1 . 2]" 1
118 1 15 ARG HA 1 70 TYR H . . 4.330 3.866 3.460 4.222 . 0 0 "[ . 1 . 2]" 1
119 1 15 ARG HA 1 70 TYR HA . . 4.080 3.447 3.189 3.633 . 0 0 "[ . 1 . 2]" 1
120 1 15 ARG HA 1 70 TYR QD . . 4.240 3.679 3.003 4.069 . 0 0 "[ . 1 . 2]" 1
121 1 15 ARG HA 1 70 TYR QE . . 4.500 4.210 3.587 4.498 . 0 0 "[ . 1 . 2]" 1
122 1 15 ARG HA 1 71 GLU H . . 5.110 4.996 4.839 5.102 . 0 0 "[ . 1 . 2]" 1
123 1 15 ARG HB2 1 15 ARG QD . . 3.610 2.450 2.128 2.925 . 0 0 "[ . 1 . 2]" 1
124 1 15 ARG HB2 1 16 SER H . . 4.330 4.115 3.925 4.331 0.001 20 0 "[ . 1 . 2]" 1
125 1 15 ARG HB3 1 15 ARG QD . . 3.610 2.647 2.282 3.218 . 0 0 "[ . 1 . 2]" 1
126 1 15 ARG HB3 1 16 SER H . . 4.330 4.116 4.002 4.270 . 0 0 "[ . 1 . 2]" 1
127 1 15 ARG QD 1 70 TYR QE . . 5.500 5.180 4.628 5.502 0.002 11 0 "[ . 1 . 2]" 1
128 1 15 ARG HG2 1 16 SER QB . . 4.820 3.951 3.553 4.756 . 0 0 "[ . 1 . 2]" 1
129 1 15 ARG HG3 1 16 SER H . . 4.770 2.740 2.307 3.195 . 0 0 "[ . 1 . 2]" 1
130 1 15 ARG HG3 1 16 SER QB . . 4.920 3.100 2.852 3.904 . 0 0 "[ . 1 . 2]" 1
131 1 16 SER H 1 16 SER QB . . 3.030 2.363 2.225 2.556 . 0 0 "[ . 1 . 2]" 1
132 1 16 SER H 1 17 PHE H . . 3.410 2.894 2.573 3.112 . 0 0 "[ . 1 . 2]" 1
133 1 16 SER H 1 17 PHE HB2 . . 5.150 4.793 4.663 4.983 . 0 0 "[ . 1 . 2]" 1
134 1 16 SER H 1 17 PHE HB3 . . 4.970 4.572 4.434 4.772 . 0 0 "[ . 1 . 2]" 1
135 1 16 SER H 1 68 THR MG . . 4.990 4.965 4.867 4.992 0.002 15 0 "[ . 1 . 2]" 1
136 1 16 SER HA 1 17 PHE H . . 3.440 2.906 2.775 3.051 . 0 0 "[ . 1 . 2]" 1
137 1 16 SER HA 1 68 THR MG . . 3.480 3.223 3.110 3.387 . 0 0 "[ . 1 . 2]" 1
138 1 16 SER HA 1 69 GLY H . . 5.120 4.755 4.594 4.933 . 0 0 "[ . 1 . 2]" 1
139 1 16 SER QB 1 17 PHE H . . 4.450 3.826 3.674 4.063 . 0 0 "[ . 1 . 2]" 1
140 1 16 SER HB2 1 17 PHE H . . 5.050 4.494 4.194 4.609 . 0 0 "[ . 1 . 2]" 1
141 1 16 SER HB3 1 17 PHE H . . 5.050 4.159 3.931 4.595 . 0 0 "[ . 1 . 2]" 1
142 1 17 PHE H 1 17 PHE HB2 . . 3.290 3.107 2.940 3.261 . 0 0 "[ . 1 . 2]" 1
143 1 17 PHE H 1 17 PHE HB3 . . 3.250 2.278 2.230 2.349 . 0 0 "[ . 1 . 2]" 1
144 1 17 PHE H 1 17 PHE QD . . 4.100 3.837 3.740 3.938 . 0 0 "[ . 1 . 2]" 1
145 1 17 PHE H 1 18 LYS H . . 4.580 4.424 4.331 4.521 . 0 0 "[ . 1 . 2]" 1
146 1 17 PHE H 1 68 THR HA . . 5.380 4.715 4.392 5.117 . 0 0 "[ . 1 . 2]" 1
147 1 17 PHE H 1 68 THR MG . . 4.140 3.418 3.166 3.730 . 0 0 "[ . 1 . 2]" 1
148 1 17 PHE H 1 69 GLY H . . 3.840 3.281 2.976 3.719 . 0 0 "[ . 1 . 2]" 1
149 1 17 PHE H 1 69 GLY HA2 . . 5.300 4.690 4.451 5.000 . 0 0 "[ . 1 . 2]" 1
150 1 17 PHE H 1 70 TYR HA . . 5.060 4.799 4.588 5.003 . 0 0 "[ . 1 . 2]" 1
151 1 17 PHE HA 1 17 PHE QD . . 3.900 3.197 3.131 3.242 . 0 0 "[ . 1 . 2]" 1
152 1 17 PHE HA 1 18 LYS H . . 2.720 2.141 2.137 2.147 . 0 0 "[ . 1 . 2]" 1
153 1 17 PHE HA 1 18 LYS QB . . 4.320 4.064 4.037 4.095 . 0 0 "[ . 1 . 2]" 1
154 1 17 PHE HB2 1 18 LYS H . . 4.380 4.081 4.009 4.161 . 0 0 "[ . 1 . 2]" 1
155 1 17 PHE HB2 1 69 GLY H . . 5.500 5.266 5.083 5.451 . 0 0 "[ . 1 . 2]" 1
156 1 17 PHE HB2 1 71 GLU H . . 4.540 3.590 3.395 3.826 . 0 0 "[ . 1 . 2]" 1
157 1 17 PHE HB2 1 71 GLU HA . . 4.300 3.898 3.483 4.137 . 0 0 "[ . 1 . 2]" 1
158 1 17 PHE HB2 1 71 GLU HB2 . . 4.930 3.113 2.867 3.369 . 0 0 "[ . 1 . 2]" 1
159 1 17 PHE HB2 1 71 GLU HB3 . . 5.070 4.581 4.274 4.928 . 0 0 "[ . 1 . 2]" 1
160 1 17 PHE HB2 1 74 THR MG . . 5.090 4.823 4.568 5.089 . 0 0 "[ . 1 . 2]" 1
161 1 17 PHE HB3 1 18 LYS H . . 4.520 4.430 4.381 4.485 . 0 0 "[ . 1 . 2]" 1
162 1 17 PHE HB3 1 69 GLY H . . 4.510 3.640 3.420 3.817 . 0 0 "[ . 1 . 2]" 1
163 1 17 PHE HB3 1 70 TYR HA . . 4.980 3.728 3.506 3.929 . 0 0 "[ . 1 . 2]" 1
164 1 17 PHE HB3 1 71 GLU H . . 4.540 3.082 2.871 3.386 . 0 0 "[ . 1 . 2]" 1
165 1 17 PHE HB3 1 71 GLU HA . . 4.190 3.538 3.216 3.776 . 0 0 "[ . 1 . 2]" 1
166 1 17 PHE HB3 1 71 GLU HB2 . . 4.920 3.749 3.495 3.961 . 0 0 "[ . 1 . 2]" 1
167 1 17 PHE HB3 1 74 THR MG . . 4.350 3.609 3.379 3.850 . 0 0 "[ . 1 . 2]" 1
168 1 17 PHE QD 1 18 LYS H . . 3.850 3.770 3.685 3.849 . 0 0 "[ . 1 . 2]" 1
169 1 17 PHE QD 1 19 LEU H . . 5.320 4.089 3.909 4.253 . 0 0 "[ . 1 . 2]" 1
170 1 17 PHE QD 1 19 LEU HB2 . . 4.900 4.018 3.949 4.092 . 0 0 "[ . 1 . 2]" 1
171 1 17 PHE QD 1 19 LEU QB . . 4.240 3.723 3.622 3.801 . 0 0 "[ . 1 . 2]" 1
172 1 17 PHE QD 1 19 LEU HB3 . . 4.900 4.406 4.157 4.580 . 0 0 "[ . 1 . 2]" 1
173 1 17 PHE QD 1 69 GLY H . . 4.970 3.114 2.830 3.266 . 0 0 "[ . 1 . 2]" 1
174 1 17 PHE QD 1 71 GLU H . . 4.580 3.990 3.741 4.210 . 0 0 "[ . 1 . 2]" 1
175 1 17 PHE QD 1 71 GLU HA . . 3.890 3.047 2.892 3.190 . 0 0 "[ . 1 . 2]" 1
176 1 17 PHE QD 1 71 GLU HB2 . . 4.670 2.811 2.526 3.136 . 0 0 "[ . 1 . 2]" 1
177 1 17 PHE QD 1 71 GLU HB3 . . 4.930 4.425 4.173 4.718 . 0 0 "[ . 1 . 2]" 1
178 1 17 PHE QD 1 71 GLU HG2 . . 5.090 4.912 4.733 5.091 0.001 16 0 "[ . 1 . 2]" 1
179 1 17 PHE QD 1 71 GLU HG3 . . 4.130 3.557 3.282 3.703 . 0 0 "[ . 1 . 2]" 1
180 1 17 PHE QD 1 74 THR HB . . 4.870 3.836 3.576 4.156 . 0 0 "[ . 1 . 2]" 1
181 1 17 PHE QD 1 74 THR HG1 . . 4.520 3.466 3.060 4.164 . 0 0 "[ . 1 . 2]" 1
182 1 17 PHE QE 1 19 LEU H . . 5.500 3.607 3.379 3.845 . 0 0 "[ . 1 . 2]" 1
183 1 17 PHE QE 1 19 LEU HA . . 4.710 3.898 3.781 4.072 . 0 0 "[ . 1 . 2]" 1
184 1 17 PHE QE 1 19 LEU HB2 . . 4.260 2.069 1.992 2.229 . 0 0 "[ . 1 . 2]" 1
185 1 17 PHE QE 1 19 LEU HB3 . . 4.260 2.631 2.430 2.743 . 0 0 "[ . 1 . 2]" 1
186 1 17 PHE QE 1 19 LEU MD1 . . 3.460 3.388 3.262 3.460 . 0 0 "[ . 1 . 2]" 1
187 1 17 PHE QE 1 19 LEU MD2 . . 4.070 3.074 2.873 3.201 . 0 0 "[ . 1 . 2]" 1
188 1 17 PHE QE 1 19 LEU HG . . 4.890 4.646 4.552 4.718 . 0 0 "[ . 1 . 2]" 1
189 1 17 PHE QE 1 71 GLU HA . . 4.240 3.227 3.041 3.349 . 0 0 "[ . 1 . 2]" 1
190 1 17 PHE QE 1 71 GLU HB3 . . 5.500 5.059 4.694 5.265 . 0 0 "[ . 1 . 2]" 1
191 1 17 PHE QE 1 71 GLU HG2 . . 5.020 4.454 4.099 4.622 . 0 0 "[ . 1 . 2]" 1
192 1 17 PHE QE 1 71 GLU HG3 . . 4.470 2.827 2.439 2.996 . 0 0 "[ . 1 . 2]" 1
193 1 17 PHE QE 1 74 THR HB . . 4.650 2.143 2.001 2.450 . 0 0 "[ . 1 . 2]" 1
194 1 17 PHE QE 1 74 THR MG . . 3.640 2.247 1.957 2.716 . 0 0 "[ . 1 . 2]" 1
195 1 17 PHE HZ 1 19 LEU HB2 . . 4.630 2.041 1.998 2.189 . 0 0 "[ . 1 . 2]" 1
196 1 17 PHE HZ 1 19 LEU QB . . 4.030 2.032 1.990 2.178 . 0 0 "[ . 1 . 2]" 1
197 1 17 PHE HZ 1 19 LEU HB3 . . 4.630 3.714 3.588 3.894 . 0 0 "[ . 1 . 2]" 1
198 1 17 PHE HZ 1 19 LEU MD1 . . 4.460 2.363 2.123 2.572 . 0 0 "[ . 1 . 2]" 1
199 1 17 PHE HZ 1 19 LEU MD2 . . 4.930 3.385 3.162 3.606 . 0 0 "[ . 1 . 2]" 1
200 1 17 PHE HZ 1 71 GLU HA . . 3.960 3.769 3.455 3.946 . 0 0 "[ . 1 . 2]" 1
201 1 17 PHE HZ 1 71 GLU HG2 . . 5.320 5.155 4.857 5.313 . 0 0 "[ . 1 . 2]" 1
202 1 17 PHE HZ 1 71 GLU HG3 . . 4.490 3.770 3.292 4.075 . 0 0 "[ . 1 . 2]" 1
203 1 17 PHE HZ 1 78 ARG HG2 . . 5.500 5.497 5.462 5.514 0.014 13 0 "[ . 1 . 2]" 1
204 1 18 LYS H 1 18 LYS QB . . 3.130 2.399 2.295 2.475 . 0 0 "[ . 1 . 2]" 1
205 1 18 LYS H 1 18 LYS HG2 . . 4.760 4.454 4.072 4.613 . 0 0 "[ . 1 . 2]" 1
206 1 18 LYS H 1 18 LYS HG3 . . 4.760 4.591 4.518 4.685 . 0 0 "[ . 1 . 2]" 1
207 1 18 LYS H 1 19 LEU H . . 4.490 4.381 4.336 4.427 . 0 0 "[ . 1 . 2]" 1
208 1 18 LYS H 1 68 THR HA . . 5.260 5.082 4.996 5.182 . 0 0 "[ . 1 . 2]" 1
209 1 18 LYS HA 1 18 LYS QG . . 3.580 2.405 2.272 2.683 . 0 0 "[ . 1 . 2]" 1
210 1 18 LYS HA 1 19 LEU H . . 2.860 2.146 2.142 2.158 . 0 0 "[ . 1 . 2]" 1
211 1 18 LYS HA 1 19 LEU QB . . 4.900 4.041 4.017 4.057 . 0 0 "[ . 1 . 2]" 1
212 1 18 LYS HA 1 67 ILE H . . 4.750 4.091 3.866 4.312 . 0 0 "[ . 1 . 2]" 1
213 1 18 LYS HA 1 67 ILE MG . . 5.500 5.190 5.106 5.301 . 0 0 "[ . 1 . 2]" 1
214 1 18 LYS HA 1 68 THR H . . 5.150 4.992 4.875 5.148 . 0 0 "[ . 1 . 2]" 1
215 1 18 LYS HA 1 68 THR HA . . 3.630 2.815 2.698 2.892 . 0 0 "[ . 1 . 2]" 1
216 1 18 LYS HA 1 68 THR HB . . 5.500 5.470 5.387 5.504 0.004 13 0 "[ . 1 . 2]" 1
217 1 18 LYS HA 1 68 THR MG . . 3.810 3.545 3.248 3.718 . 0 0 "[ . 1 . 2]" 1
218 1 18 LYS HA 1 69 GLY H . . 4.540 4.414 4.247 4.496 . 0 0 "[ . 1 . 2]" 1
219 1 18 LYS HA 1 74 THR MG . . 4.860 4.398 4.149 4.727 . 0 0 "[ . 1 . 2]" 1
220 1 18 LYS QB 1 18 LYS QE . . 3.700 2.685 2.031 3.677 . 0 0 "[ . 1 . 2]" 1
221 1 18 LYS QB 1 19 LEU H . . 4.010 3.778 3.708 3.830 . 0 0 "[ . 1 . 2]" 1
222 1 18 LYS QB 1 68 THR HA . . 4.680 4.442 4.246 4.615 . 0 0 "[ . 1 . 2]" 1
223 1 18 LYS QD 1 66 THR HB . . 5.100 4.754 4.116 5.100 0.000 18 0 "[ . 1 . 2]" 1
224 1 18 LYS QD 1 66 THR MG . . 3.400 2.375 2.052 3.114 . 0 0 "[ . 1 . 2]" 1
225 1 18 LYS QE 1 18 LYS QG . . 3.340 2.185 2.070 2.379 . 0 0 "[ . 1 . 2]" 1
226 1 18 LYS QE 1 66 THR HB . . 5.090 4.421 3.028 4.995 . 0 0 "[ . 1 . 2]" 1
227 1 18 LYS QE 1 66 THR MG . . 3.780 2.404 1.848 3.377 . 0 0 "[ . 1 . 2]" 1
228 1 18 LYS QG 1 19 LEU H . . 3.500 2.831 2.720 2.931 . 0 0 "[ . 1 . 2]" 1
229 1 18 LYS QG 1 66 THR HB . . 4.580 4.363 3.774 4.583 0.003 10 0 "[ . 1 . 2]" 1
230 1 18 LYS QG 1 67 ILE H . . 4.450 3.235 2.988 3.468 . 0 0 "[ . 1 . 2]" 1
231 1 18 LYS HG2 1 19 LEU H . . 4.330 3.313 2.773 3.722 . 0 0 "[ . 1 . 2]" 1
232 1 18 LYS HG3 1 19 LEU H . . 4.330 3.288 2.832 4.101 . 0 0 "[ . 1 . 2]" 1
233 1 19 LEU H 1 19 LEU QB . . 3.310 2.341 2.300 2.390 . 0 0 "[ . 1 . 2]" 1
234 1 19 LEU H 1 19 LEU MD1 . . 4.630 4.433 4.375 4.486 . 0 0 "[ . 1 . 2]" 1
235 1 19 LEU H 1 19 LEU MD2 . . 4.350 4.193 4.076 4.280 . 0 0 "[ . 1 . 2]" 1
236 1 19 LEU H 1 19 LEU HG . . 4.330 4.274 4.207 4.330 . 0 0 "[ . 1 . 2]" 1
237 1 19 LEU H 1 20 SER H . . 4.630 4.515 4.478 4.533 . 0 0 "[ . 1 . 2]" 1
238 1 19 LEU H 1 66 THR HA . . 4.990 4.418 4.213 4.719 . 0 0 "[ . 1 . 2]" 1
239 1 19 LEU H 1 67 ILE HA . . 5.460 4.668 4.532 4.826 . 0 0 "[ . 1 . 2]" 1
240 1 19 LEU H 1 67 ILE HB . . 4.810 3.415 3.245 3.557 . 0 0 "[ . 1 . 2]" 1
241 1 19 LEU H 1 67 ILE MD . . 5.290 5.084 4.875 5.279 . 0 0 "[ . 1 . 2]" 1
242 1 19 LEU H 1 68 THR HA . . 4.030 3.667 3.574 3.783 . 0 0 "[ . 1 . 2]" 1
243 1 19 LEU H 1 68 THR MG . . 5.470 5.009 4.716 5.160 . 0 0 "[ . 1 . 2]" 1
244 1 19 LEU H 1 69 GLY H . . 5.500 5.444 5.348 5.499 . 0 0 "[ . 1 . 2]" 1
245 1 19 LEU H 1 74 THR HB . . 4.860 4.768 4.472 4.863 0.003 13 0 "[ . 1 . 2]" 1
246 1 19 LEU H 1 74 THR MG . . 4.500 3.988 3.716 4.276 . 0 0 "[ . 1 . 2]" 1
247 1 19 LEU HA 1 19 LEU MD1 . . 3.360 2.416 2.230 2.648 . 0 0 "[ . 1 . 2]" 1
248 1 19 LEU HA 1 19 LEU MD2 . . 4.170 3.991 3.968 4.015 . 0 0 "[ . 1 . 2]" 1
249 1 19 LEU HA 1 19 LEU HG . . 4.260 3.126 3.075 3.176 . 0 0 "[ . 1 . 2]" 1
250 1 19 LEU HA 1 20 SER H . . 2.760 2.286 2.216 2.323 . 0 0 "[ . 1 . 2]" 1
251 1 19 LEU HA 1 20 SER HB2 . . 5.500 5.108 4.124 5.562 0.062 18 0 "[ . 1 . 2]" 1
252 1 19 LEU HA 1 20 SER QB . . 4.730 4.037 3.972 4.588 . 0 0 "[ . 1 . 2]" 1
253 1 19 LEU HA 1 20 SER HB3 . . 5.500 4.574 4.074 5.567 0.067 11 0 "[ . 1 . 2]" 1
254 1 19 LEU QB 1 19 LEU MD1 . . 3.070 2.151 2.063 2.224 . 0 0 "[ . 1 . 2]" 1
255 1 19 LEU QB 1 19 LEU MD2 . . 3.220 2.004 1.943 2.088 . 0 0 "[ . 1 . 2]" 1
256 1 19 LEU QB 1 20 SER H . . 3.800 3.455 3.399 3.568 . 0 0 "[ . 1 . 2]" 1
257 1 19 LEU QB 1 67 ILE MD . . 4.470 3.476 3.290 3.727 . 0 0 "[ . 1 . 2]" 1
258 1 19 LEU QB 1 74 THR HB . . 3.480 2.851 2.717 2.932 . 0 0 "[ . 1 . 2]" 1
259 1 19 LEU QB 1 74 THR MG . . 3.570 3.272 3.019 3.465 . 0 0 "[ . 1 . 2]" 1
260 1 19 LEU QB 1 75 GLU H . . 5.340 4.996 4.798 5.226 . 0 0 "[ . 1 . 2]" 1
261 1 19 LEU HB2 1 19 LEU MD1 . . 3.650 2.190 2.092 2.272 . 0 0 "[ . 1 . 2]" 1
262 1 19 LEU HB2 1 67 ILE MD . . 5.210 4.822 4.616 5.066 . 0 0 "[ . 1 . 2]" 1
263 1 19 LEU HB2 1 74 THR HB . . 4.260 3.381 3.176 3.601 . 0 0 "[ . 1 . 2]" 1
264 1 19 LEU HB2 1 74 THR MG . . 4.230 3.860 3.528 4.215 . 0 0 "[ . 1 . 2]" 1
265 1 19 LEU HB3 1 19 LEU MD1 . . 3.650 3.157 3.138 3.169 . 0 0 "[ . 1 . 2]" 1
266 1 19 LEU HB3 1 67 ILE MD . . 5.210 3.565 3.365 3.836 . 0 0 "[ . 1 . 2]" 1
267 1 19 LEU HB3 1 74 THR HB . . 4.260 3.078 2.911 3.236 . 0 0 "[ . 1 . 2]" 1
268 1 19 LEU HB3 1 74 THR MG . . 4.230 3.542 3.266 3.748 . 0 0 "[ . 1 . 2]" 1
269 1 19 LEU MD1 1 20 SER H . . 3.620 2.221 1.925 2.528 . 0 0 "[ . 1 . 2]" 1
270 1 19 LEU MD1 1 20 SER HA . . 4.770 4.435 4.272 4.533 . 0 0 "[ . 1 . 2]" 1
271 1 19 LEU MD1 1 20 SER HB2 . . 5.500 5.074 4.189 5.508 0.008 13 0 "[ . 1 . 2]" 1
272 1 19 LEU MD1 1 20 SER HB3 . . 5.500 4.799 4.469 5.435 . 0 0 "[ . 1 . 2]" 1
273 1 19 LEU MD1 1 21 VAL H . . 5.020 4.777 4.520 4.996 . 0 0 "[ . 1 . 2]" 1
274 1 19 LEU MD1 1 74 THR HB . . 4.550 4.295 4.099 4.494 . 0 0 "[ . 1 . 2]" 1
275 1 19 LEU MD1 1 75 GLU HA . . 4.210 4.082 3.797 4.219 0.009 13 0 "[ . 1 . 2]" 1
276 1 19 LEU MD1 1 75 GLU HB3 . . 5.500 5.356 5.140 5.469 . 0 0 "[ . 1 . 2]" 1
277 1 19 LEU MD1 1 75 GLU HG2 . . 4.610 3.702 3.471 4.034 . 0 0 "[ . 1 . 2]" 1
278 1 19 LEU MD1 1 75 GLU HG3 . . 5.180 4.916 4.628 5.177 . 0 0 "[ . 1 . 2]" 1
279 1 19 LEU MD1 1 78 ARG HB3 . . 4.570 4.056 3.779 4.273 . 0 0 "[ . 1 . 2]" 1
280 1 19 LEU MD1 1 78 ARG HD2 . . 5.060 4.813 4.440 5.005 . 0 0 "[ . 1 . 2]" 1
281 1 19 LEU MD1 1 78 ARG HD3 . . 4.300 3.452 3.048 3.645 . 0 0 "[ . 1 . 2]" 1
282 1 19 LEU MD1 1 78 ARG HG2 . . 3.950 3.235 3.011 3.487 . 0 0 "[ . 1 . 2]" 1
283 1 19 LEU MD2 1 20 SER H . . 4.260 3.953 3.845 4.182 . 0 0 "[ . 1 . 2]" 1
284 1 19 LEU MD2 1 74 THR HA . . 4.140 4.058 3.973 4.141 0.001 4 0 "[ . 1 . 2]" 1
285 1 19 LEU MD2 1 74 THR HB . . 3.630 2.444 2.215 2.586 . 0 0 "[ . 1 . 2]" 1
286 1 19 LEU MD2 1 75 GLU H . . 4.410 3.870 3.525 4.031 . 0 0 "[ . 1 . 2]" 1
287 1 19 LEU MD2 1 75 GLU HA . . 3.780 2.841 2.657 3.014 . 0 0 "[ . 1 . 2]" 1
288 1 19 LEU MD2 1 75 GLU HG2 . . 4.340 3.504 3.226 3.739 . 0 0 "[ . 1 . 2]" 1
289 1 19 LEU MD2 1 75 GLU HG3 . . 4.970 4.794 4.537 4.941 . 0 0 "[ . 1 . 2]" 1
290 1 19 LEU MD2 1 77 ALA H . . 5.500 4.993 4.772 5.186 . 0 0 "[ . 1 . 2]" 1
291 1 19 LEU MD2 1 78 ARG H . . 3.790 3.546 3.466 3.708 . 0 0 "[ . 1 . 2]" 1
292 1 19 LEU MD2 1 78 ARG HB2 . . 4.050 2.064 1.968 2.203 . 0 0 "[ . 1 . 2]" 1
293 1 19 LEU MD2 1 78 ARG HB3 . . 4.060 1.885 1.841 1.981 . 0 0 "[ . 1 . 2]" 1
294 1 19 LEU MD2 1 78 ARG HD3 . . 4.070 2.978 2.521 3.363 . 0 0 "[ . 1 . 2]" 1
295 1 19 LEU MD2 1 78 ARG HG2 . . 3.600 2.043 1.941 2.318 . 0 0 "[ . 1 . 2]" 1
296 1 19 LEU MD2 1 78 ARG HG3 . . 3.870 3.347 3.248 3.531 . 0 0 "[ . 1 . 2]" 1
297 1 19 LEU HG 1 20 SER H . . 3.550 2.342 2.176 2.605 . 0 0 "[ . 1 . 2]" 1
298 1 19 LEU HG 1 67 ILE MD . . 3.640 3.511 3.331 3.640 . 0 0 "[ . 1 . 2]" 1
299 1 19 LEU HG 1 74 THR HB . . 5.050 4.965 4.713 5.057 0.007 13 0 "[ . 1 . 2]" 1
300 1 20 SER H 1 20 SER HB2 . . 3.930 3.441 2.489 3.866 . 0 0 "[ . 1 . 2]" 1
301 1 20 SER H 1 20 SER QB . . 3.270 2.699 2.446 3.140 . 0 0 "[ . 1 . 2]" 1
302 1 20 SER H 1 20 SER HB3 . . 3.930 3.098 2.732 3.668 . 0 0 "[ . 1 . 2]" 1
303 1 20 SER H 1 21 VAL H . . 4.210 4.168 4.054 4.221 0.011 16 0 "[ . 1 . 2]" 1
304 1 20 SER H 1 21 VAL MG2 . . 4.710 4.228 4.064 4.406 . 0 0 "[ . 1 . 2]" 1
305 1 20 SER HA 1 21 VAL H . . 2.850 2.141 2.138 2.167 . 0 0 "[ . 1 . 2]" 1
306 1 20 SER HA 1 21 VAL HB . . 5.090 4.859 4.740 4.966 . 0 0 "[ . 1 . 2]" 1
307 1 20 SER HA 1 21 VAL MG2 . . 4.400 3.460 3.290 3.564 . 0 0 "[ . 1 . 2]" 1
308 1 20 SER HA 1 65 ILE H . . 4.680 3.684 3.507 3.916 . 0 0 "[ . 1 . 2]" 1
309 1 20 SER HA 1 66 THR HA . . 3.650 3.058 2.809 3.330 . 0 0 "[ . 1 . 2]" 1
310 1 20 SER HA 1 66 THR MG . . 4.290 4.181 3.993 4.293 0.003 16 0 "[ . 1 . 2]" 1
311 1 20 SER HA 1 67 ILE H . . 4.160 4.022 3.807 4.148 . 0 0 "[ . 1 . 2]" 1
312 1 20 SER QB 1 21 VAL H . . 3.720 3.491 3.442 3.566 . 0 0 "[ . 1 . 2]" 1
313 1 20 SER QB 1 64 GLN HB3 . . 3.800 2.981 2.540 3.308 . 0 0 "[ . 1 . 2]" 1
314 1 20 SER QB 1 64 GLN HG3 . . 4.530 4.424 4.247 4.530 0.000 10 0 "[ . 1 . 2]" 1
315 1 20 SER QB 1 66 THR HA . . 4.600 4.277 3.887 4.566 . 0 0 "[ . 1 . 2]" 1
316 1 20 SER HB2 1 21 VAL H . . 4.500 3.903 3.575 4.527 0.027 7 0 "[ . 1 . 2]" 1
317 1 20 SER HB2 1 66 THR MG . . 5.500 5.001 4.315 5.499 . 0 0 "[ . 1 . 2]" 1
318 1 20 SER HB3 1 21 VAL H . . 4.500 4.231 3.583 4.527 0.027 15 0 "[ . 1 . 2]" 1
319 1 20 SER HB3 1 66 THR MG . . 5.500 4.878 4.056 5.503 0.003 11 0 "[ . 1 . 2]" 1
320 1 21 VAL H 1 21 VAL HB . . 3.530 2.731 2.627 2.840 . 0 0 "[ . 1 . 2]" 1
321 1 21 VAL H 1 21 VAL MG1 . . 3.940 3.822 3.791 3.853 . 0 0 "[ . 1 . 2]" 1
322 1 21 VAL H 1 21 VAL MG2 . . 3.320 2.107 1.912 2.310 . 0 0 "[ . 1 . 2]" 1
323 1 21 VAL H 1 22 THR H . . 4.550 4.466 4.382 4.564 0.014 18 0 "[ . 1 . 2]" 1
324 1 21 VAL H 1 64 GLN HA . . 4.750 4.178 3.990 4.480 . 0 0 "[ . 1 . 2]" 1
325 1 21 VAL H 1 65 ILE H . . 3.660 2.437 2.282 2.786 . 0 0 "[ . 1 . 2]" 1
326 1 21 VAL H 1 65 ILE HB . . 4.290 2.766 2.589 2.932 . 0 0 "[ . 1 . 2]" 1
327 1 21 VAL H 1 65 ILE MG . . 4.860 4.046 3.865 4.299 . 0 0 "[ . 1 . 2]" 1
328 1 21 VAL H 1 66 THR HA . . 4.490 4.239 4.054 4.459 . 0 0 "[ . 1 . 2]" 1
329 1 21 VAL H 1 67 ILE MD . . 4.930 4.020 3.579 4.208 . 0 0 "[ . 1 . 2]" 1
330 1 21 VAL H 1 67 ILE HG13 . . 4.870 4.278 4.015 4.752 . 0 0 "[ . 1 . 2]" 1
331 1 21 VAL HA 1 21 VAL MG1 . . 3.410 2.255 2.107 2.375 . 0 0 "[ . 1 . 2]" 1
332 1 21 VAL HA 1 21 VAL MG2 . . 3.690 2.530 2.460 2.643 . 0 0 "[ . 1 . 2]" 1
333 1 21 VAL HA 1 22 THR H . . 2.750 2.156 2.139 2.198 . 0 0 "[ . 1 . 2]" 1
334 1 21 VAL HA 1 22 THR HB . . 5.010 4.792 4.719 4.868 . 0 0 "[ . 1 . 2]" 1
335 1 21 VAL HB 1 22 THR H . . 4.220 4.009 3.845 4.156 . 0 0 "[ . 1 . 2]" 1
336 1 21 VAL HB 1 23 VAL MG2 . . 3.520 3.432 3.247 3.522 0.002 14 0 "[ . 1 . 2]" 1
337 1 21 VAL HB 1 65 ILE H . . 3.770 3.173 3.018 3.321 . 0 0 "[ . 1 . 2]" 1
338 1 21 VAL HB 1 65 ILE HB . . 3.840 2.109 2.016 2.226 . 0 0 "[ . 1 . 2]" 1
339 1 21 VAL HB 1 65 ILE MD . . 4.910 2.290 1.941 2.767 . 0 0 "[ . 1 . 2]" 1
340 1 21 VAL HB 1 65 ILE HG12 . . 4.890 4.255 3.691 4.718 . 0 0 "[ . 1 . 2]" 1
341 1 21 VAL HB 1 65 ILE HG13 . . 4.640 3.056 2.331 3.691 . 0 0 "[ . 1 . 2]" 1
342 1 21 VAL HB 1 65 ILE MG . . 4.180 3.636 3.540 3.740 . 0 0 "[ . 1 . 2]" 1
343 1 21 VAL HB 1 81 ILE MD . . 3.750 3.148 2.694 3.680 . 0 0 "[ . 1 . 2]" 1
344 1 21 VAL HB 1 81 ILE MG . . 3.670 3.369 3.148 3.670 0.000 4 0 "[ . 1 . 2]" 1
345 1 21 VAL MG1 1 22 THR H . . 3.270 2.586 2.140 2.862 . 0 0 "[ . 1 . 2]" 1
346 1 21 VAL MG1 1 22 THR HB . . 4.520 4.373 4.104 4.515 . 0 0 "[ . 1 . 2]" 1
347 1 21 VAL MG1 1 23 VAL HB . . 3.940 3.706 3.522 3.865 . 0 0 "[ . 1 . 2]" 1
348 1 21 VAL MG1 1 65 ILE H . . 5.010 4.451 4.298 4.567 . 0 0 "[ . 1 . 2]" 1
349 1 21 VAL MG1 1 65 ILE HB . . 3.770 3.737 3.625 3.777 0.007 4 0 "[ . 1 . 2]" 1
350 1 21 VAL MG1 1 65 ILE MD . . 3.290 2.801 2.363 3.214 . 0 0 "[ . 1 . 2]" 1
351 1 21 VAL MG1 1 78 ARG HA . . 4.420 3.757 3.392 4.143 . 0 0 "[ . 1 . 2]" 1
352 1 21 VAL MG1 1 78 ARG HB2 . . 3.630 3.075 2.765 3.354 . 0 0 "[ . 1 . 2]" 1
353 1 21 VAL MG1 1 78 ARG HD2 . . 3.730 2.771 2.479 3.176 . 0 0 "[ . 1 . 2]" 1
354 1 21 VAL MG1 1 78 ARG HD3 . . 4.550 3.172 2.861 3.441 . 0 0 "[ . 1 . 2]" 1
355 1 21 VAL MG1 1 81 ILE HB . . 3.560 2.654 2.338 3.316 . 0 0 "[ . 1 . 2]" 1
356 1 21 VAL MG1 1 82 LEU HG . . 3.600 2.802 2.515 3.215 . 0 0 "[ . 1 . 2]" 1
357 1 21 VAL MG2 1 22 THR H . . 5.070 4.204 4.084 4.270 . 0 0 "[ . 1 . 2]" 1
358 1 21 VAL MG2 1 65 ILE HB . . 3.720 2.440 2.014 2.923 . 0 0 "[ . 1 . 2]" 1
359 1 21 VAL MG2 1 65 ILE HG12 . . 5.500 4.953 4.572 5.331 . 0 0 "[ . 1 . 2]" 1
360 1 21 VAL MG2 1 65 ILE MG . . 3.470 3.144 2.667 3.445 . 0 0 "[ . 1 . 2]" 1
361 1 21 VAL MG2 1 66 THR H . . 5.500 5.193 4.905 5.494 . 0 0 "[ . 1 . 2]" 1
362 1 21 VAL MG2 1 67 ILE MD . . 2.990 1.955 1.794 2.142 . 0 0 "[ . 1 . 2]" 1
363 1 21 VAL MG2 1 67 ILE HG13 . . 3.830 3.015 2.687 3.440 . 0 0 "[ . 1 . 2]" 1
364 1 21 VAL MG2 1 78 ARG HA . . 3.680 2.801 2.421 3.072 . 0 0 "[ . 1 . 2]" 1
365 1 21 VAL MG2 1 78 ARG HB2 . . 3.560 1.963 1.842 2.112 . 0 0 "[ . 1 . 2]" 1
366 1 21 VAL MG2 1 78 ARG HB3 . . 4.690 3.135 2.962 3.334 . 0 0 "[ . 1 . 2]" 1
367 1 21 VAL MG2 1 78 ARG HD2 . . 4.490 3.236 2.970 3.417 . 0 0 "[ . 1 . 2]" 1
368 1 21 VAL MG2 1 78 ARG HD3 . . 4.470 3.154 2.513 3.493 . 0 0 "[ . 1 . 2]" 1
369 1 21 VAL MG2 1 78 ARG HE . . 5.450 5.287 4.920 5.450 . 0 0 "[ . 1 . 2]" 1
370 1 22 THR H 1 22 THR HB . . 3.050 2.657 2.587 2.724 . 0 0 "[ . 1 . 2]" 1
371 1 22 THR H 1 22 THR MG . . 3.980 3.806 3.784 3.829 . 0 0 "[ . 1 . 2]" 1
372 1 22 THR H 1 23 VAL H . . 4.500 4.229 4.073 4.379 . 0 0 "[ . 1 . 2]" 1
373 1 22 THR HA 1 22 THR MG . . 3.330 2.237 2.130 2.375 . 0 0 "[ . 1 . 2]" 1
374 1 22 THR HA 1 23 VAL H . . 2.790 2.189 2.150 2.260 . 0 0 "[ . 1 . 2]" 1
375 1 22 THR HA 1 23 VAL HA . . 4.980 4.368 4.359 4.373 . 0 0 "[ . 1 . 2]" 1
376 1 22 THR HA 1 23 VAL MG2 . . 4.710 3.981 3.757 4.296 . 0 0 "[ . 1 . 2]" 1
377 1 22 THR HA 1 64 GLN HE21 . . 4.410 2.016 1.901 2.427 . 0 0 "[ . 1 . 2]" 1
378 1 22 THR HA 1 64 GLN HE22 . . 4.240 2.954 2.785 3.134 . 0 0 "[ . 1 . 2]" 1
379 1 22 THR HB 1 23 VAL H . . 4.500 4.345 4.282 4.413 . 0 0 "[ . 1 . 2]" 1
380 1 22 THR HB 1 64 GLN HE21 . . 5.500 4.506 4.374 4.723 . 0 0 "[ . 1 . 2]" 1
381 1 22 THR MG 1 23 VAL H . . 3.510 3.135 2.903 3.359 . 0 0 "[ . 1 . 2]" 1
382 1 22 THR MG 1 63 ASP HB2 . . 3.960 3.791 3.537 3.937 . 0 0 "[ . 1 . 2]" 1
383 1 22 THR MG 1 63 ASP HB3 . . 4.860 4.844 4.787 4.865 0.005 6 0 "[ . 1 . 2]" 1
384 1 22 THR MG 1 64 GLN HE21 . . 4.160 3.134 2.405 3.398 . 0 0 "[ . 1 . 2]" 1
385 1 22 THR MG 1 64 GLN HE22 . . 4.030 3.515 2.834 3.859 . 0 0 "[ . 1 . 2]" 1
386 1 23 VAL H 1 23 VAL HB . . 3.720 2.846 2.704 2.965 . 0 0 "[ . 1 . 2]" 1
387 1 23 VAL H 1 23 VAL MG2 . . 3.820 3.127 2.884 3.311 . 0 0 "[ . 1 . 2]" 1
388 1 23 VAL H 1 24 ASP H . . 4.570 4.188 4.035 4.295 . 0 0 "[ . 1 . 2]" 1
389 1 23 VAL H 1 63 ASP HA . . 3.900 3.862 3.737 3.904 0.004 11 0 "[ . 1 . 2]" 1
390 1 23 VAL H 1 63 ASP HB2 . . 4.210 3.436 3.298 3.590 . 0 0 "[ . 1 . 2]" 1
391 1 23 VAL H 1 63 ASP HB3 . . 5.120 4.969 4.853 5.123 0.003 6 0 "[ . 1 . 2]" 1
392 1 23 VAL H 1 64 GLN HE22 . . 5.230 4.986 4.839 5.106 . 0 0 "[ . 1 . 2]" 1
393 1 23 VAL H 1 65 ILE H . . 4.890 4.329 4.104 4.579 . 0 0 "[ . 1 . 2]" 1
394 1 23 VAL HA 1 23 VAL MG1 . . 3.460 2.422 2.294 2.496 . 0 0 "[ . 1 . 2]" 1
395 1 23 VAL HA 1 23 VAL MG2 . . 3.420 2.315 2.130 2.432 . 0 0 "[ . 1 . 2]" 1
396 1 23 VAL HA 1 24 ASP H . . 3.130 2.156 2.140 2.186 . 0 0 "[ . 1 . 2]" 1
397 1 23 VAL HA 1 24 ASP QB . . 4.530 4.344 4.084 4.509 . 0 0 "[ . 1 . 2]" 1
398 1 23 VAL HA 1 27 TYR QD . . 5.080 4.633 4.357 4.833 . 0 0 "[ . 1 . 2]" 1
399 1 23 VAL HA 1 85 VAL MG1 . . 5.180 4.271 4.023 4.667 . 0 0 "[ . 1 . 2]" 1
400 1 23 VAL HB 1 24 ASP H . . 5.040 4.216 4.120 4.318 . 0 0 "[ . 1 . 2]" 1
401 1 23 VAL HB 1 28 HIS HD2 . . 4.200 3.146 2.719 3.342 . 0 0 "[ . 1 . 2]" 1
402 1 23 VAL HB 1 31 ILE MD . . 4.210 3.999 3.673 4.156 . 0 0 "[ . 1 . 2]" 1
403 1 23 VAL HB 1 65 ILE MD . . 3.600 2.269 1.984 2.741 . 0 0 "[ . 1 . 2]" 1
404 1 23 VAL HB 1 65 ILE HG12 . . 5.080 4.286 3.738 4.636 . 0 0 "[ . 1 . 2]" 1
405 1 23 VAL HB 1 65 ILE HG13 . . 4.450 3.380 3.119 3.668 . 0 0 "[ . 1 . 2]" 1
406 1 23 VAL HB 1 81 ILE MG . . 3.760 3.212 2.978 3.567 . 0 0 "[ . 1 . 2]" 1
407 1 23 VAL MG1 1 24 ASP H . . 3.890 2.560 2.225 2.768 . 0 0 "[ . 1 . 2]" 1
408 1 23 VAL MG1 1 24 ASP QB . . 4.430 3.316 3.218 3.468 . 0 0 "[ . 1 . 2]" 1
409 1 23 VAL MG1 1 27 TYR H . . 4.050 3.573 3.489 3.699 . 0 0 "[ . 1 . 2]" 1
410 1 23 VAL MG1 1 27 TYR HB2 . . 3.540 2.436 2.329 2.536 . 0 0 "[ . 1 . 2]" 1
411 1 23 VAL MG1 1 27 TYR HB3 . . 3.860 3.583 3.418 3.725 . 0 0 "[ . 1 . 2]" 1
412 1 23 VAL MG1 1 27 TYR QD . . 3.440 2.310 2.022 2.566 . 0 0 "[ . 1 . 2]" 1
413 1 23 VAL MG1 1 27 TYR QE . . 4.420 3.955 3.465 4.298 . 0 0 "[ . 1 . 2]" 1
414 1 23 VAL MG1 1 28 HIS H . . 4.480 3.744 3.397 4.041 . 0 0 "[ . 1 . 2]" 1
415 1 23 VAL MG1 1 28 HIS HA . . 4.810 4.120 3.659 4.501 . 0 0 "[ . 1 . 2]" 1
416 1 23 VAL MG1 1 28 HIS HD2 . . 3.400 2.673 2.142 3.172 . 0 0 "[ . 1 . 2]" 1
417 1 23 VAL MG1 1 31 ILE MD . . 2.910 2.676 2.265 2.899 . 0 0 "[ . 1 . 2]" 1
418 1 23 VAL MG1 1 65 ILE MD . . 3.740 3.139 2.823 3.446 . 0 0 "[ . 1 . 2]" 1
419 1 23 VAL MG1 1 81 ILE MG . . 3.240 2.879 2.705 3.140 . 0 0 "[ . 1 . 2]" 1
420 1 23 VAL MG1 1 85 VAL MG1 . . 3.910 2.642 2.246 2.964 . 0 0 "[ . 1 . 2]" 1
421 1 23 VAL MG1 1 85 VAL MG2 . . 3.320 1.826 1.709 1.930 . 0 0 "[ . 1 . 2]" 1
422 1 23 VAL MG2 1 24 ASP H . . 4.330 3.920 3.754 4.039 . 0 0 "[ . 1 . 2]" 1
423 1 23 VAL MG2 1 65 ILE MD . . 3.470 2.772 2.389 3.014 . 0 0 "[ . 1 . 2]" 1
424 1 23 VAL MG2 1 65 ILE HG13 . . 4.370 4.141 3.817 4.370 . 0 0 "[ . 1 . 2]" 1
425 1 24 ASP H 1 24 ASP QB . . 3.100 2.440 2.128 2.634 . 0 0 "[ . 1 . 2]" 1
426 1 24 ASP H 1 27 TYR QD . . 4.170 3.829 3.331 4.110 . 0 0 "[ . 1 . 2]" 1
427 1 24 ASP H 1 27 TYR QE . . 4.750 4.566 3.992 4.749 . 0 0 "[ . 1 . 2]" 1
428 1 24 ASP HA 1 25 PRO HD2 . . 3.480 2.246 2.197 2.277 . 0 0 "[ . 1 . 2]" 1
429 1 24 ASP HA 1 25 PRO HD3 . . 3.540 2.257 2.251 2.262 . 0 0 "[ . 1 . 2]" 1
430 1 24 ASP HA 1 25 PRO HG2 . . 4.540 4.388 4.349 4.412 . 0 0 "[ . 1 . 2]" 1
431 1 24 ASP HA 1 25 PRO HG3 . . 4.800 4.388 4.366 4.403 . 0 0 "[ . 1 . 2]" 1
432 1 24 ASP HA 1 26 LYS H . . 4.500 3.747 3.708 3.789 . 0 0 "[ . 1 . 2]" 1
433 1 24 ASP HA 1 63 ASP HB2 . . 4.440 2.514 2.280 2.976 . 0 0 "[ . 1 . 2]" 1
434 1 24 ASP HA 1 63 ASP HB3 . . 4.370 3.335 3.180 3.596 . 0 0 "[ . 1 . 2]" 1
435 1 24 ASP QB 1 25 PRO HD2 . . 4.600 2.518 2.242 3.355 . 0 0 "[ . 1 . 2]" 1
436 1 24 ASP QB 1 25 PRO HD3 . . 4.760 3.738 3.559 4.197 . 0 0 "[ . 1 . 2]" 1
437 1 24 ASP QB 1 26 LYS H . . 3.970 2.402 2.196 2.772 . 0 0 "[ . 1 . 2]" 1
438 1 24 ASP QB 1 26 LYS QD . . 4.270 3.128 2.142 3.858 . 0 0 "[ . 1 . 2]" 1
439 1 24 ASP QB 1 26 LYS HG2 . . 4.570 2.081 1.843 2.460 . 0 0 "[ . 1 . 2]" 1
440 1 24 ASP QB 1 26 LYS QG . . 3.850 2.065 1.828 2.438 . 0 0 "[ . 1 . 2]" 1
441 1 24 ASP QB 1 26 LYS HG3 . . 4.570 3.466 3.025 3.981 . 0 0 "[ . 1 . 2]" 1
442 1 24 ASP QB 1 27 TYR H . . 4.180 3.216 2.894 3.567 . 0 0 "[ . 1 . 2]" 1
443 1 24 ASP QB 1 27 TYR QD . . 3.520 3.195 2.795 3.446 . 0 0 "[ . 1 . 2]" 1
444 1 24 ASP QB 1 27 TYR QE . . 3.790 3.476 2.919 3.699 . 0 0 "[ . 1 . 2]" 1
445 1 25 PRO HA 1 27 TYR H . . 4.510 4.133 3.618 4.404 . 0 0 "[ . 1 . 2]" 1
446 1 25 PRO HA 1 28 HIS H . . 3.920 3.184 2.927 3.298 . 0 0 "[ . 1 . 2]" 1
447 1 25 PRO HA 1 28 HIS HA . . 5.000 4.626 4.428 4.769 . 0 0 "[ . 1 . 2]" 1
448 1 25 PRO HA 1 28 HIS HB2 . . 4.970 2.513 2.356 2.759 . 0 0 "[ . 1 . 2]" 1
449 1 25 PRO HA 1 28 HIS HD2 . . 4.200 3.614 3.159 3.844 . 0 0 "[ . 1 . 2]" 1
450 1 25 PRO HA 1 28 HIS HE1 . . 4.470 4.361 4.241 4.473 0.003 12 0 "[ . 1 . 2]" 1
451 1 25 PRO HA 1 29 PRO QD . . 5.040 3.736 3.585 3.959 . 0 0 "[ . 1 . 2]" 1
452 1 25 PRO HB2 1 26 LYS H . . 4.140 3.919 3.766 3.966 . 0 0 "[ . 1 . 2]" 1
453 1 25 PRO HB3 1 26 LYS H . . 4.610 4.478 4.391 4.505 . 0 0 "[ . 1 . 2]" 1
454 1 25 PRO HB3 1 28 HIS HE1 . . 4.990 4.729 4.603 4.994 0.004 9 0 "[ . 1 . 2]" 1
455 1 25 PRO HB3 1 62 GLN HB2 . . 4.300 2.716 2.474 3.074 . 0 0 "[ . 1 . 2]" 1
456 1 25 PRO HB3 1 63 ASP H . . 4.480 4.148 3.889 4.440 . 0 0 "[ . 1 . 2]" 1
457 1 25 PRO HD2 1 26 LYS H . . 4.150 2.972 2.813 3.030 . 0 0 "[ . 1 . 2]" 1
458 1 25 PRO HD2 1 63 ASP HA . . 4.490 4.276 4.125 4.352 . 0 0 "[ . 1 . 2]" 1
459 1 25 PRO HD2 1 63 ASP HB2 . . 4.520 4.000 3.829 4.308 . 0 0 "[ . 1 . 2]" 1
460 1 25 PRO HD2 1 63 ASP HB3 . . 4.300 3.811 3.587 3.990 . 0 0 "[ . 1 . 2]" 1
461 1 25 PRO HD3 1 26 LYS H . . 4.400 4.013 3.930 4.043 . 0 0 "[ . 1 . 2]" 1
462 1 25 PRO HD3 1 63 ASP H . . 4.810 3.949 3.818 4.043 . 0 0 "[ . 1 . 2]" 1
463 1 25 PRO HD3 1 63 ASP HA . . 4.260 2.732 2.506 2.847 . 0 0 "[ . 1 . 2]" 1
464 1 25 PRO HD3 1 63 ASP HB2 . . 4.250 2.729 2.476 2.987 . 0 0 "[ . 1 . 2]" 1
465 1 25 PRO HD3 1 63 ASP HB3 . . 4.080 2.241 2.002 2.488 . 0 0 "[ . 1 . 2]" 1
466 1 25 PRO HD3 1 64 GLN H . . 5.500 5.495 5.414 5.504 0.004 6 0 "[ . 1 . 2]" 1
467 1 25 PRO HG2 1 26 LYS H . . 4.930 3.263 2.992 3.350 . 0 0 "[ . 1 . 2]" 1
468 1 25 PRO HG2 1 62 GLN HB3 . . 4.930 4.658 4.292 4.833 . 0 0 "[ . 1 . 2]" 1
469 1 25 PRO HG2 1 63 ASP HA . . 5.340 5.146 5.031 5.218 . 0 0 "[ . 1 . 2]" 1
470 1 25 PRO HG3 1 26 LYS H . . 4.620 4.553 4.347 4.620 0.000 15 0 "[ . 1 . 2]" 1
471 1 25 PRO HG3 1 62 GLN HB3 . . 4.580 3.551 3.174 3.771 . 0 0 "[ . 1 . 2]" 1
472 1 25 PRO HG3 1 63 ASP H . . 4.860 4.543 4.323 4.724 . 0 0 "[ . 1 . 2]" 1
473 1 25 PRO HG3 1 63 ASP HA . . 4.670 4.298 4.107 4.401 . 0 0 "[ . 1 . 2]" 1
474 1 25 PRO HG3 1 63 ASP HB2 . . 5.020 4.877 4.602 5.022 0.002 15 0 "[ . 1 . 2]" 1
475 1 25 PRO HG3 1 63 ASP HB3 . . 4.670 3.782 3.465 4.010 . 0 0 "[ . 1 . 2]" 1
476 1 26 LYS H 1 26 LYS HB2 . . 3.640 3.608 3.575 3.636 . 0 0 "[ . 1 . 2]" 1
477 1 26 LYS H 1 26 LYS HB3 . . 3.120 2.535 2.331 2.685 . 0 0 "[ . 1 . 2]" 1
478 1 26 LYS H 1 26 LYS QD . . 4.660 3.899 3.242 4.390 . 0 0 "[ . 1 . 2]" 1
479 1 26 LYS H 1 26 LYS HG2 . . 3.850 2.247 1.946 2.649 . 0 0 "[ . 1 . 2]" 1
480 1 26 LYS H 1 26 LYS QG . . 3.160 2.216 1.929 2.596 . 0 0 "[ . 1 . 2]" 1
481 1 26 LYS H 1 26 LYS HG3 . . 3.850 3.456 3.106 3.776 . 0 0 "[ . 1 . 2]" 1
482 1 26 LYS H 1 27 TYR H . . 3.330 2.440 2.317 2.570 . 0 0 "[ . 1 . 2]" 1
483 1 26 LYS H 1 27 TYR QD . . 4.880 4.809 4.656 4.879 . 0 0 "[ . 1 . 2]" 1
484 1 26 LYS H 1 28 HIS H . . 4.700 3.621 3.527 3.751 . 0 0 "[ . 1 . 2]" 1
485 1 26 LYS HA 1 26 LYS QD . . 4.820 4.331 4.258 4.453 . 0 0 "[ . 1 . 2]" 1
486 1 26 LYS HA 1 28 HIS H . . 4.510 4.147 4.015 4.318 . 0 0 "[ . 1 . 2]" 1
487 1 26 LYS HB2 1 26 LYS QD . . 3.750 2.571 2.159 3.071 . 0 0 "[ . 1 . 2]" 1
488 1 26 LYS HB2 1 26 LYS QE . . 4.820 3.291 2.133 4.091 . 0 0 "[ . 1 . 2]" 1
489 1 26 LYS HB2 1 27 TYR H . . 4.430 3.896 3.615 4.142 . 0 0 "[ . 1 . 2]" 1
490 1 26 LYS HB3 1 27 TYR H . . 4.410 3.856 3.610 4.174 . 0 0 "[ . 1 . 2]" 1
491 1 26 LYS QD 1 27 TYR H . . 4.780 4.134 3.778 4.451 . 0 0 "[ . 1 . 2]" 1
492 1 26 LYS QD 1 27 TYR QD . . 4.380 3.770 3.441 4.234 . 0 0 "[ . 1 . 2]" 1
493 1 26 LYS QD 1 27 TYR QE . . 3.870 2.861 2.195 3.521 . 0 0 "[ . 1 . 2]" 1
494 1 26 LYS QE 1 26 LYS QG . . 3.220 2.172 2.024 2.322 . 0 0 "[ . 1 . 2]" 1
495 1 26 LYS HE2 1 26 LYS HG2 . . 4.160 2.957 2.125 4.165 0.005 12 0 "[ . 1 . 2]" 1
496 1 26 LYS HE2 1 26 LYS HG3 . . 4.160 3.249 2.212 3.626 . 0 0 "[ . 1 . 2]" 1
497 1 26 LYS HE2 1 27 TYR QE . . 4.410 3.636 2.383 4.406 . 0 0 "[ . 1 . 2]" 1
498 1 26 LYS HE3 1 26 LYS HG2 . . 4.160 3.272 2.416 3.892 . 0 0 "[ . 1 . 2]" 1
499 1 26 LYS HE3 1 26 LYS HG3 . . 4.160 3.186 2.197 4.166 0.006 6 0 "[ . 1 . 2]" 1
500 1 26 LYS HE3 1 27 TYR QE . . 4.410 3.303 2.276 4.362 . 0 0 "[ . 1 . 2]" 1
501 1 26 LYS QG 1 27 TYR H . . 3.490 2.161 1.864 2.502 . 0 0 "[ . 1 . 2]" 1
502 1 26 LYS QG 1 27 TYR QD . . 4.320 2.693 2.321 2.970 . 0 0 "[ . 1 . 2]" 1
503 1 26 LYS QG 1 27 TYR QE . . 4.260 3.034 2.819 3.336 . 0 0 "[ . 1 . 2]" 1
504 1 26 LYS HG2 1 27 TYR H . . 4.000 2.384 1.934 3.034 . 0 0 "[ . 1 . 2]" 1
505 1 26 LYS HG2 1 27 TYR HA . . 5.250 4.526 4.087 5.064 . 0 0 "[ . 1 . 2]" 1
506 1 26 LYS HG2 1 27 TYR QE . . 4.840 3.922 3.454 4.215 . 0 0 "[ . 1 . 2]" 1
507 1 26 LYS HG3 1 27 TYR H . . 4.000 2.572 2.184 3.337 . 0 0 "[ . 1 . 2]" 1
508 1 26 LYS HG3 1 27 TYR HA . . 5.250 3.442 3.083 4.119 . 0 0 "[ . 1 . 2]" 1
509 1 26 LYS HG3 1 27 TYR QE . . 4.840 3.167 2.985 3.538 . 0 0 "[ . 1 . 2]" 1
510 1 27 TYR H 1 27 TYR HB2 . . 3.420 2.543 2.434 2.592 . 0 0 "[ . 1 . 2]" 1
511 1 27 TYR H 1 27 TYR HB3 . . 3.700 3.644 3.617 3.726 0.026 12 0 "[ . 1 . 2]" 1
512 1 27 TYR H 1 27 TYR QD . . 3.830 3.268 3.141 3.480 . 0 0 "[ . 1 . 2]" 1
513 1 27 TYR H 1 27 TYR QE . . 4.940 4.639 4.456 4.918 . 0 0 "[ . 1 . 2]" 1
514 1 27 TYR H 1 28 HIS H . . 3.230 2.279 1.982 2.420 . 0 0 "[ . 1 . 2]" 1
515 1 27 TYR H 1 28 HIS HA . . 4.980 4.778 4.512 4.901 . 0 0 "[ . 1 . 2]" 1
516 1 27 TYR H 1 28 HIS HD2 . . 4.700 4.451 4.002 4.659 . 0 0 "[ . 1 . 2]" 1
517 1 27 TYR H 1 29 PRO HD2 . . 5.290 3.644 3.410 3.751 . 0 0 "[ . 1 . 2]" 1
518 1 27 TYR H 1 29 PRO QD . . 4.430 3.563 3.339 3.666 . 0 0 "[ . 1 . 2]" 1
519 1 27 TYR H 1 29 PRO HD3 . . 5.290 5.039 4.753 5.165 . 0 0 "[ . 1 . 2]" 1
520 1 27 TYR H 1 31 ILE MD . . 5.200 4.702 4.534 4.913 . 0 0 "[ . 1 . 2]" 1
521 1 27 TYR H 1 88 LEU MD1 . . 5.500 4.907 4.570 5.288 . 0 0 "[ . 1 . 2]" 1
522 1 27 TYR HA 1 27 TYR QD . . 3.210 2.144 2.001 2.257 . 0 0 "[ . 1 . 2]" 1
523 1 27 TYR HA 1 30 LYS H . . 4.490 3.191 2.997 3.223 . 0 0 "[ . 1 . 2]" 1
524 1 27 TYR HA 1 30 LYS HB2 . . 5.070 2.138 2.071 2.217 . 0 0 "[ . 1 . 2]" 1
525 1 27 TYR HA 1 30 LYS HB3 . . 4.820 3.635 3.584 3.679 . 0 0 "[ . 1 . 2]" 1
526 1 27 TYR HA 1 30 LYS HG2 . . 5.070 3.030 2.632 3.321 . 0 0 "[ . 1 . 2]" 1
527 1 27 TYR HA 1 30 LYS QG . . 4.370 2.342 2.130 2.599 . 0 0 "[ . 1 . 2]" 1
528 1 27 TYR HA 1 30 LYS HG3 . . 5.070 2.505 2.168 4.014 . 0 0 "[ . 1 . 2]" 1
529 1 27 TYR HA 1 88 LEU MD1 . . 4.570 3.245 2.995 3.559 . 0 0 "[ . 1 . 2]" 1
530 1 27 TYR HB2 1 28 HIS H . . 4.360 3.159 3.087 3.222 . 0 0 "[ . 1 . 2]" 1
531 1 27 TYR HB2 1 28 HIS HD2 . . 4.410 3.959 3.868 4.095 . 0 0 "[ . 1 . 2]" 1
532 1 27 TYR HB2 1 31 ILE MD . . 4.150 3.068 2.819 3.382 . 0 0 "[ . 1 . 2]" 1
533 1 27 TYR HB2 1 31 ILE HG13 . . 5.130 4.022 3.825 4.267 . 0 0 "[ . 1 . 2]" 1
534 1 27 TYR HB2 1 85 VAL MG2 . . 4.410 2.557 2.302 2.905 . 0 0 "[ . 1 . 2]" 1
535 1 27 TYR HB2 1 88 LEU MD1 . . 4.720 3.564 3.253 3.957 . 0 0 "[ . 1 . 2]" 1
536 1 27 TYR HB3 1 28 HIS HD2 . . 5.300 5.244 5.078 5.311 0.011 12 0 "[ . 1 . 2]" 1
537 1 27 TYR HB3 1 30 LYS H . . 5.090 4.483 4.397 4.533 . 0 0 "[ . 1 . 2]" 1
538 1 27 TYR HB3 1 30 LYS HB2 . . 5.240 3.076 2.885 3.141 . 0 0 "[ . 1 . 2]" 1
539 1 27 TYR HB3 1 30 LYS HB3 . . 5.170 4.383 4.062 4.529 . 0 0 "[ . 1 . 2]" 1
540 1 27 TYR HB3 1 31 ILE MD . . 3.920 3.107 2.892 3.311 . 0 0 "[ . 1 . 2]" 1
541 1 27 TYR HB3 1 31 ILE HG13 . . 4.240 3.055 2.920 3.174 . 0 0 "[ . 1 . 2]" 1
542 1 27 TYR HB3 1 85 VAL MG2 . . 4.180 2.729 2.305 3.139 . 0 0 "[ . 1 . 2]" 1
543 1 27 TYR HB3 1 88 LEU MD1 . . 3.800 2.246 1.982 2.563 . 0 0 "[ . 1 . 2]" 1
544 1 27 TYR QD 1 28 HIS H . . 5.220 4.559 4.479 4.662 . 0 0 "[ . 1 . 2]" 1
545 1 27 TYR QD 1 30 LYS QG . . 4.150 2.735 2.513 2.921 . 0 0 "[ . 1 . 2]" 1
546 1 27 TYR QD 1 31 ILE MD . . 4.990 4.343 4.118 4.572 . 0 0 "[ . 1 . 2]" 1
547 1 27 TYR QD 1 85 VAL HB . . 4.420 4.358 4.185 4.422 0.002 12 0 "[ . 1 . 2]" 1
548 1 27 TYR QD 1 85 VAL MG1 . . 4.060 2.086 1.951 2.342 . 0 0 "[ . 1 . 2]" 1
549 1 27 TYR QD 1 85 VAL MG2 . . 3.990 2.055 1.984 2.155 . 0 0 "[ . 1 . 2]" 1
550 1 27 TYR QD 1 88 LEU HB2 . . 3.990 3.724 3.329 3.971 . 0 0 "[ . 1 . 2]" 1
551 1 27 TYR QD 1 88 LEU HB3 . . 4.410 3.485 3.203 3.813 . 0 0 "[ . 1 . 2]" 1
552 1 27 TYR QD 1 88 LEU MD1 . . 3.560 2.505 2.219 2.894 . 0 0 "[ . 1 . 2]" 1
553 1 27 TYR QE 1 85 VAL MG1 . . 3.850 2.164 2.014 2.353 . 0 0 "[ . 1 . 2]" 1
554 1 27 TYR QE 1 85 VAL MG2 . . 5.020 3.684 3.582 3.849 . 0 0 "[ . 1 . 2]" 1
555 1 27 TYR QE 1 88 LEU HB2 . . 3.900 3.381 3.016 3.775 . 0 0 "[ . 1 . 2]" 1
556 1 27 TYR QE 1 88 LEU HB3 . . 4.120 3.304 2.676 4.046 . 0 0 "[ . 1 . 2]" 1
557 1 27 TYR QE 1 88 LEU MD1 . . 4.830 3.574 3.266 4.105 . 0 0 "[ . 1 . 2]" 1
558 1 27 TYR QE 1 89 GLU HA . . 4.390 3.873 3.110 4.361 . 0 0 "[ . 1 . 2]" 1
559 1 27 TYR QE 1 89 GLU HG2 . . 5.020 3.818 2.927 4.474 . 0 0 "[ . 1 . 2]" 1
560 1 27 TYR QE 1 89 GLU QG . . 4.390 3.314 2.655 3.866 . 0 0 "[ . 1 . 2]" 1
561 1 27 TYR QE 1 89 GLU HG3 . . 5.020 3.858 2.735 4.845 . 0 0 "[ . 1 . 2]" 1
562 1 28 HIS H 1 28 HIS HB2 . . 3.430 2.231 2.214 2.274 . 0 0 "[ . 1 . 2]" 1
563 1 28 HIS H 1 28 HIS HB3 . . 3.720 3.524 3.513 3.550 . 0 0 "[ . 1 . 2]" 1
564 1 28 HIS H 1 28 HIS HD2 . . 3.410 3.019 2.823 3.141 . 0 0 "[ . 1 . 2]" 1
565 1 28 HIS H 1 29 PRO HD2 . . 3.430 2.276 2.236 2.331 . 0 0 "[ . 1 . 2]" 1
566 1 28 HIS H 1 29 PRO HD3 . . 3.430 3.298 3.265 3.330 . 0 0 "[ . 1 . 2]" 1
567 1 28 HIS H 1 29 PRO HG2 . . 4.920 4.499 4.460 4.559 . 0 0 "[ . 1 . 2]" 1
568 1 28 HIS H 1 29 PRO QG . . 4.300 4.158 4.123 4.208 . 0 0 "[ . 1 . 2]" 1
569 1 28 HIS H 1 29 PRO HG3 . . 4.920 4.892 4.853 4.942 0.022 12 0 "[ . 1 . 2]" 1
570 1 28 HIS H 1 30 LYS H . . 5.160 3.852 3.829 3.946 . 0 0 "[ . 1 . 2]" 1
571 1 28 HIS H 1 31 ILE MD . . 4.560 3.698 3.518 3.879 . 0 0 "[ . 1 . 2]" 1
572 1 28 HIS HA 1 28 HIS HD2 . . 3.760 2.412 2.285 2.534 . 0 0 "[ . 1 . 2]" 1
573 1 28 HIS HA 1 30 LYS H . . 4.730 3.880 3.849 4.198 . 0 0 "[ . 1 . 2]" 1
574 1 28 HIS HA 1 31 ILE H . . 4.440 3.721 3.655 3.864 . 0 0 "[ . 1 . 2]" 1
575 1 28 HIS HA 1 31 ILE HB . . 4.120 3.653 3.464 3.900 . 0 0 "[ . 1 . 2]" 1
576 1 28 HIS HA 1 31 ILE MD . . 3.730 2.270 2.159 2.372 . 0 0 "[ . 1 . 2]" 1
577 1 28 HIS HA 1 31 ILE HG12 . . 5.100 5.052 4.923 5.101 0.001 11 0 "[ . 1 . 2]" 1
578 1 28 HIS HA 1 31 ILE HG13 . . 5.210 3.906 3.770 3.995 . 0 0 "[ . 1 . 2]" 1
579 1 28 HIS HA 1 31 ILE MG . . 5.100 4.877 4.713 5.008 . 0 0 "[ . 1 . 2]" 1
580 1 28 HIS HA 1 32 ILE H . . 4.760 4.671 4.484 4.761 0.001 16 0 "[ . 1 . 2]" 1
581 1 28 HIS HA 1 52 PHE QE . . 4.380 3.197 2.863 3.546 . 0 0 "[ . 1 . 2]" 1
582 1 28 HIS HA 1 52 PHE HZ . . 5.190 4.889 4.640 5.188 . 0 0 "[ . 1 . 2]" 1
583 1 28 HIS HA 1 65 ILE MD . . 4.880 3.693 3.337 4.076 . 0 0 "[ . 1 . 2]" 1
584 1 28 HIS HB2 1 29 PRO HD2 . . 4.140 2.458 2.450 2.493 . 0 0 "[ . 1 . 2]" 1
585 1 28 HIS HB2 1 29 PRO QD . . 3.580 1.891 1.884 1.895 . 0 0 "[ . 1 . 2]" 1
586 1 28 HIS HB2 1 29 PRO HD3 . . 4.140 1.966 1.958 1.968 . 0 0 "[ . 1 . 2]" 1
587 1 28 HIS HB2 1 29 PRO QG . . 5.100 3.852 3.844 3.866 . 0 0 "[ . 1 . 2]" 1
588 1 28 HIS HB3 1 29 PRO HD2 . . 4.130 3.433 3.428 3.493 . 0 0 "[ . 1 . 2]" 1
589 1 28 HIS HB3 1 29 PRO QD . . 3.530 2.396 2.390 2.464 . 0 0 "[ . 1 . 2]" 1
590 1 28 HIS HB3 1 29 PRO HD3 . . 4.130 2.446 2.439 2.519 . 0 0 "[ . 1 . 2]" 1
591 1 28 HIS HB3 1 32 ILE MD . . 4.300 3.744 3.353 3.970 . 0 0 "[ . 1 . 2]" 1
592 1 28 HIS HB3 1 52 PHE QE . . 5.230 4.649 4.350 4.891 . 0 0 "[ . 1 . 2]" 1
593 1 28 HIS HD2 1 31 ILE MD . . 3.930 3.044 2.852 3.270 . 0 0 "[ . 1 . 2]" 1
594 1 28 HIS HD2 1 65 ILE MD . . 4.300 2.673 2.413 2.914 . 0 0 "[ . 1 . 2]" 1
595 1 28 HIS HE1 1 52 PHE HA . . 5.170 4.058 3.908 4.338 . 0 0 "[ . 1 . 2]" 1
596 1 28 HIS HE1 1 53 PRO QB . . 4.760 3.903 3.837 3.974 . 0 0 "[ . 1 . 2]" 1
597 1 28 HIS HE1 1 53 PRO HD2 . . 4.370 2.151 2.006 2.492 . 0 0 "[ . 1 . 2]" 1
598 1 28 HIS HE1 1 53 PRO HD3 . . 4.490 2.619 2.514 2.743 . 0 0 "[ . 1 . 2]" 1
599 1 28 HIS HE1 1 53 PRO HG2 . . 3.810 2.488 2.376 2.802 . 0 0 "[ . 1 . 2]" 1
600 1 28 HIS HE1 1 53 PRO HG3 . . 4.100 2.134 1.998 2.256 . 0 0 "[ . 1 . 2]" 1
601 1 28 HIS HE1 1 63 ASP HA . . 4.160 3.599 3.291 3.889 . 0 0 "[ . 1 . 2]" 1
602 1 28 HIS HE1 1 64 GLN H . . 4.600 3.591 3.248 3.910 . 0 0 "[ . 1 . 2]" 1
603 1 28 HIS HE1 1 64 GLN HB2 . . 5.310 5.031 4.792 5.235 . 0 0 "[ . 1 . 2]" 1
604 1 28 HIS HE1 1 65 ILE MD . . 5.330 4.252 3.874 4.510 . 0 0 "[ . 1 . 2]" 1
605 1 28 HIS HE1 1 65 ILE HG13 . . 5.430 3.516 2.944 4.231 . 0 0 "[ . 1 . 2]" 1
606 1 29 PRO HA 1 31 ILE H . . 4.540 4.150 3.977 4.425 . 0 0 "[ . 1 . 2]" 1
607 1 29 PRO HA 1 32 ILE H . . 4.180 3.667 3.509 3.883 . 0 0 "[ . 1 . 2]" 1
608 1 29 PRO HA 1 32 ILE HB . . 3.780 3.246 2.881 3.475 . 0 0 "[ . 1 . 2]" 1
609 1 29 PRO HA 1 32 ILE MD . . 3.770 2.115 1.939 2.399 . 0 0 "[ . 1 . 2]" 1
610 1 29 PRO HA 1 32 ILE HG12 . . 4.890 4.633 4.481 4.820 . 0 0 "[ . 1 . 2]" 1
611 1 29 PRO HA 1 32 ILE HG13 . . 4.640 3.420 3.109 3.625 . 0 0 "[ . 1 . 2]" 1
612 1 29 PRO HA 1 32 ILE MG . . 4.600 4.406 4.145 4.550 . 0 0 "[ . 1 . 2]" 1
613 1 29 PRO QB 1 30 LYS H . . 4.010 3.598 3.383 3.618 . 0 0 "[ . 1 . 2]" 1
614 1 29 PRO HB2 1 30 LYS H . . 4.570 3.812 3.549 3.836 . 0 0 "[ . 1 . 2]" 1
615 1 29 PRO HB3 1 30 LYS H . . 4.570 4.417 4.265 4.432 . 0 0 "[ . 1 . 2]" 1
616 1 29 PRO QD 1 30 LYS H . . 3.760 2.795 2.638 2.812 . 0 0 "[ . 1 . 2]" 1
617 1 29 PRO HD2 1 30 LYS H . . 4.510 2.857 2.686 2.877 . 0 0 "[ . 1 . 2]" 1
618 1 29 PRO HD3 1 30 LYS H . . 4.510 3.953 3.862 3.963 . 0 0 "[ . 1 . 2]" 1
619 1 29 PRO HG2 1 30 LYS H . . 5.270 3.071 2.657 3.111 . 0 0 "[ . 1 . 2]" 1
620 1 29 PRO HG3 1 30 LYS H . . 5.270 4.407 4.095 4.438 . 0 0 "[ . 1 . 2]" 1
621 1 30 LYS H 1 30 LYS HB2 . . 3.500 2.407 2.303 2.482 . 0 0 "[ . 1 . 2]" 1
622 1 30 LYS H 1 30 LYS HB3 . . 3.660 3.623 3.558 3.651 . 0 0 "[ . 1 . 2]" 1
623 1 30 LYS H 1 30 LYS QE . . 5.280 4.774 3.950 5.189 . 0 0 "[ . 1 . 2]" 1
624 1 30 LYS H 1 30 LYS HG2 . . 3.860 2.763 2.540 3.800 . 0 0 "[ . 1 . 2]" 1
625 1 30 LYS H 1 30 LYS HG3 . . 3.860 3.747 3.540 3.872 0.012 12 0 "[ . 1 . 2]" 1
626 1 30 LYS H 1 31 ILE H . . 3.190 2.227 2.156 2.492 . 0 0 "[ . 1 . 2]" 1
627 1 30 LYS H 1 31 ILE HB . . 4.980 4.556 4.418 4.951 . 0 0 "[ . 1 . 2]" 1
628 1 30 LYS H 1 31 ILE MD . . 4.360 4.161 4.009 4.360 0.000 12 0 "[ . 1 . 2]" 1
629 1 30 LYS H 1 31 ILE HG12 . . 5.500 5.457 5.333 5.509 0.009 12 0 "[ . 1 . 2]" 1
630 1 30 LYS H 1 31 ILE HG13 . . 3.950 3.719 3.583 3.774 . 0 0 "[ . 1 . 2]" 1
631 1 30 LYS H 1 32 ILE H . . 4.370 3.922 3.811 4.242 . 0 0 "[ . 1 . 2]" 1
632 1 30 LYS HA 1 30 LYS QD . . 3.350 2.305 1.990 3.112 . 0 0 "[ . 1 . 2]" 1
633 1 30 LYS HA 1 30 LYS QE . . 5.050 3.734 1.927 4.275 . 0 0 "[ . 1 . 2]" 1
634 1 30 LYS HA 1 30 LYS HG2 . . 3.770 2.829 2.620 3.696 . 0 0 "[ . 1 . 2]" 1
635 1 30 LYS HA 1 30 LYS QG . . 3.170 2.701 2.509 2.893 . 0 0 "[ . 1 . 2]" 1
636 1 30 LYS HA 1 30 LYS HG3 . . 3.770 3.694 2.553 3.782 0.012 18 0 "[ . 1 . 2]" 1
637 1 30 LYS HA 1 32 ILE H . . 5.140 4.531 4.313 4.769 . 0 0 "[ . 1 . 2]" 1
638 1 30 LYS HA 1 33 GLY H . . 4.150 4.039 3.864 4.150 . 0 0 "[ . 1 . 2]" 1
639 1 30 LYS HB2 1 30 LYS QD . . 3.920 3.255 2.469 3.459 . 0 0 "[ . 1 . 2]" 1
640 1 30 LYS HB2 1 30 LYS QE . . 4.960 4.149 3.224 4.480 . 0 0 "[ . 1 . 2]" 1
641 1 30 LYS HB2 1 31 ILE H . . 4.610 2.986 2.745 3.173 . 0 0 "[ . 1 . 2]" 1
642 1 30 LYS HB2 1 31 ILE HA . . 4.570 4.483 4.344 4.577 0.007 12 0 "[ . 1 . 2]" 1
643 1 30 LYS HB2 1 31 ILE HG13 . . 3.480 3.203 3.091 3.315 . 0 0 "[ . 1 . 2]" 1
644 1 30 LYS HB2 1 88 LEU MD1 . . 3.480 2.836 2.414 3.104 . 0 0 "[ . 1 . 2]" 1
645 1 30 LYS HB3 1 30 LYS QE . . 5.040 3.647 2.001 4.254 . 0 0 "[ . 1 . 2]" 1
646 1 30 LYS HB3 1 31 ILE H . . 4.440 3.864 3.679 4.010 . 0 0 "[ . 1 . 2]" 1
647 1 30 LYS HB3 1 31 ILE HA . . 4.540 4.457 4.316 4.544 0.004 18 0 "[ . 1 . 2]" 1
648 1 30 LYS HB3 1 31 ILE HG13 . . 4.480 4.198 4.036 4.375 . 0 0 "[ . 1 . 2]" 1
649 1 30 LYS HB3 1 88 LEU MD1 . . 3.680 2.742 2.125 3.077 . 0 0 "[ . 1 . 2]" 1
650 1 30 LYS QE 1 30 LYS HG2 . . 3.630 2.582 2.128 3.332 . 0 0 "[ . 1 . 2]" 1
651 1 30 LYS QE 1 30 LYS QG . . 3.160 2.221 2.084 2.583 . 0 0 "[ . 1 . 2]" 1
652 1 30 LYS QE 1 30 LYS HG3 . . 3.630 2.636 2.174 3.520 . 0 0 "[ . 1 . 2]" 1
653 1 31 ILE H 1 31 ILE HB . . 3.290 2.565 2.499 2.658 . 0 0 "[ . 1 . 2]" 1
654 1 31 ILE H 1 31 ILE MD . . 3.920 3.193 3.113 3.270 . 0 0 "[ . 1 . 2]" 1
655 1 31 ILE H 1 31 ILE HG12 . . 3.940 3.693 3.496 3.862 . 0 0 "[ . 1 . 2]" 1
656 1 31 ILE H 1 31 ILE HG13 . . 3.720 2.211 1.972 2.424 . 0 0 "[ . 1 . 2]" 1
657 1 31 ILE H 1 31 ILE MG . . 3.920 3.785 3.768 3.802 . 0 0 "[ . 1 . 2]" 1
658 1 31 ILE H 1 32 ILE H . . 3.200 2.431 2.288 2.646 . 0 0 "[ . 1 . 2]" 1
659 1 31 ILE H 1 32 ILE HB . . 4.850 4.568 4.390 4.777 . 0 0 "[ . 1 . 2]" 1
660 1 31 ILE H 1 32 ILE MD . . 5.210 4.686 4.413 4.892 . 0 0 "[ . 1 . 2]" 1
661 1 31 ILE HA 1 31 ILE MD . . 3.950 3.910 3.882 3.950 . 12 0 "[ . 1 . 2]" 1
662 1 31 ILE HA 1 31 ILE HG12 . . 3.490 2.836 2.781 2.885 . 0 0 "[ . 1 . 2]" 1
663 1 31 ILE HA 1 31 ILE HG13 . . 3.750 2.784 2.711 2.896 . 0 0 "[ . 1 . 2]" 1
664 1 31 ILE HA 1 31 ILE MG . . 3.330 2.266 2.177 2.366 . 0 0 "[ . 1 . 2]" 1
665 1 31 ILE HB 1 31 ILE MD . . 3.410 2.260 2.190 2.302 . 0 0 "[ . 1 . 2]" 1
666 1 31 ILE HB 1 32 ILE H . . 3.600 2.627 2.433 2.810 . 0 0 "[ . 1 . 2]" 1
667 1 31 ILE HB 1 32 ILE HA . . 5.020 4.115 3.971 4.210 . 0 0 "[ . 1 . 2]" 1
668 1 31 ILE HB 1 32 ILE MD . . 4.980 4.867 4.727 4.979 . 0 0 "[ . 1 . 2]" 1
669 1 31 ILE HB 1 32 ILE HG12 . . 5.200 4.917 4.619 5.199 . 0 0 "[ . 1 . 2]" 1
670 1 31 ILE HB 1 32 ILE HG13 . . 4.750 3.568 3.419 3.763 . 0 0 "[ . 1 . 2]" 1
671 1 31 ILE HB 1 52 PHE QE . . 4.200 3.306 2.757 3.649 . 0 0 "[ . 1 . 2]" 1
672 1 31 ILE HB 1 52 PHE HZ . . 4.180 2.995 2.659 3.322 . 0 0 "[ . 1 . 2]" 1
673 1 31 ILE MD 1 31 ILE MG . . 2.920 2.302 2.189 2.375 . 0 0 "[ . 1 . 2]" 1
674 1 31 ILE MD 1 32 ILE H . . 4.590 4.274 4.055 4.436 . 0 0 "[ . 1 . 2]" 1
675 1 31 ILE MD 1 52 PHE QE . . 4.280 2.598 2.244 2.960 . 0 0 "[ . 1 . 2]" 1
676 1 31 ILE MD 1 52 PHE HZ . . 4.080 3.471 3.136 3.940 . 0 0 "[ . 1 . 2]" 1
677 1 31 ILE MD 1 65 ILE MD . . 3.610 2.799 2.558 2.988 . 0 0 "[ . 1 . 2]" 1
678 1 31 ILE MD 1 65 ILE HG12 . . 5.500 4.649 4.321 5.054 . 0 0 "[ . 1 . 2]" 1
679 1 31 ILE MD 1 81 ILE HA . . 4.820 3.137 2.837 3.350 . 0 0 "[ . 1 . 2]" 1
680 1 31 ILE HG12 1 88 LEU MD1 . . 3.740 3.470 3.177 3.673 . 0 0 "[ . 1 . 2]" 1
681 1 31 ILE HG13 1 31 ILE MG . . 3.660 3.152 3.140 3.168 . 0 0 "[ . 1 . 2]" 1
682 1 31 ILE HG13 1 32 ILE H . . 4.520 4.170 3.964 4.304 . 0 0 "[ . 1 . 2]" 1
683 1 31 ILE HG13 1 88 LEU MD1 . . 3.600 3.317 2.929 3.558 . 0 0 "[ . 1 . 2]" 1
684 1 31 ILE MG 1 32 ILE H . . 4.380 3.576 3.418 3.696 . 0 0 "[ . 1 . 2]" 1
685 1 31 ILE MG 1 39 ILE HA . . 4.870 3.834 3.555 4.162 . 0 0 "[ . 1 . 2]" 1
686 1 31 ILE MG 1 39 ILE HB . . 4.550 3.488 3.224 3.915 . 0 0 "[ . 1 . 2]" 1
687 1 31 ILE MG 1 39 ILE QG . . 4.350 4.316 4.198 4.352 0.002 20 0 "[ . 1 . 2]" 1
688 1 31 ILE MG 1 52 PHE HZ . . 3.460 2.735 2.578 3.055 . 0 0 "[ . 1 . 2]" 1
689 1 31 ILE MG 1 81 ILE HA . . 4.120 2.552 2.208 2.814 . 0 0 "[ . 1 . 2]" 1
690 1 32 ILE H 1 32 ILE HB . . 3.210 2.556 2.467 2.659 . 0 0 "[ . 1 . 2]" 1
691 1 32 ILE H 1 32 ILE MD . . 4.000 3.373 3.239 3.498 . 0 0 "[ . 1 . 2]" 1
692 1 32 ILE H 1 32 ILE HG12 . . 3.700 3.499 3.242 3.660 . 0 0 "[ . 1 . 2]" 1
693 1 32 ILE H 1 32 ILE HG13 . . 3.350 2.080 1.914 2.250 . 0 0 "[ . 1 . 2]" 1
694 1 32 ILE H 1 32 ILE MG . . 3.840 3.767 3.754 3.779 . 0 0 "[ . 1 . 2]" 1
695 1 32 ILE H 1 33 GLY H . . 3.520 2.953 2.803 3.053 . 0 0 "[ . 1 . 2]" 1
696 1 32 ILE H 1 33 GLY HA2 . . 5.180 5.108 4.990 5.184 0.004 12 0 "[ . 1 . 2]" 1
697 1 32 ILE H 1 39 ILE HB . . 4.870 4.458 4.303 4.635 . 0 0 "[ . 1 . 2]" 1
698 1 32 ILE H 1 52 PHE HZ . . 4.810 4.260 3.824 4.675 . 0 0 "[ . 1 . 2]" 1
699 1 32 ILE HA 1 32 ILE MD . . 4.180 3.848 3.809 3.881 . 0 0 "[ . 1 . 2]" 1
700 1 32 ILE HA 1 32 ILE HG12 . . 3.950 2.628 2.537 2.744 . 0 0 "[ . 1 . 2]" 1
701 1 32 ILE HA 1 32 ILE HG13 . . 3.970 2.779 2.657 2.951 . 0 0 "[ . 1 . 2]" 1
702 1 32 ILE HA 1 32 ILE MG . . 3.620 2.459 2.397 2.535 . 0 0 "[ . 1 . 2]" 1
703 1 32 ILE HA 1 38 VAL HB . . 4.960 4.288 3.955 4.800 . 0 0 "[ . 1 . 2]" 1
704 1 32 ILE HA 1 39 ILE H . . 3.830 3.464 3.141 3.824 . 0 0 "[ . 1 . 2]" 1
705 1 32 ILE HA 1 39 ILE HA . . 4.680 4.377 4.290 4.461 . 0 0 "[ . 1 . 2]" 1
706 1 32 ILE HA 1 39 ILE HB . . 3.360 2.049 2.001 2.175 . 0 0 "[ . 1 . 2]" 1
707 1 32 ILE HA 1 39 ILE MD . . 4.560 3.341 2.530 3.728 . 0 0 "[ . 1 . 2]" 1
708 1 32 ILE HA 1 39 ILE QG . . 4.080 3.645 3.346 3.921 . 0 0 "[ . 1 . 2]" 1
709 1 32 ILE HA 1 39 ILE MG . . 3.510 2.668 2.276 3.093 . 0 0 "[ . 1 . 2]" 1
710 1 32 ILE HB 1 32 ILE MD . . 3.420 2.277 2.154 2.407 . 0 0 "[ . 1 . 2]" 1
711 1 32 ILE HB 1 33 GLY H . . 3.350 2.442 2.198 2.646 . 0 0 "[ . 1 . 2]" 1
712 1 32 ILE MD 1 32 ILE MG . . 3.120 2.182 1.961 2.430 . 0 0 "[ . 1 . 2]" 1
713 1 32 ILE MD 1 33 GLY H . . 4.750 4.329 4.061 4.500 . 0 0 "[ . 1 . 2]" 1
714 1 32 ILE MD 1 39 ILE HB . . 5.500 5.244 5.100 5.368 . 0 0 "[ . 1 . 2]" 1
715 1 32 ILE MD 1 52 PHE QD . . 4.240 3.047 2.535 3.376 . 0 0 "[ . 1 . 2]" 1
716 1 32 ILE MD 1 52 PHE QE . . 4.170 3.727 3.357 4.028 . 0 0 "[ . 1 . 2]" 1
717 1 32 ILE HG12 1 32 ILE MG . . 3.670 2.258 2.081 2.341 . 0 0 "[ . 1 . 2]" 1
718 1 32 ILE HG12 1 33 GLY H . . 5.120 4.983 4.861 5.081 . 0 0 "[ . 1 . 2]" 1
719 1 32 ILE HG12 1 39 ILE HB . . 5.020 3.959 3.715 4.190 . 0 0 "[ . 1 . 2]" 1
720 1 32 ILE HG12 1 39 ILE QG . . 5.340 3.955 3.670 4.240 . 0 0 "[ . 1 . 2]" 1
721 1 32 ILE HG12 1 39 ILE MG . . 3.980 3.388 3.067 3.832 . 0 0 "[ . 1 . 2]" 1
722 1 32 ILE HG12 1 52 PHE QD . . 4.710 3.090 2.434 3.711 . 0 0 "[ . 1 . 2]" 1
723 1 32 ILE HG12 1 52 PHE QE . . 4.530 2.589 2.186 3.151 . 0 0 "[ . 1 . 2]" 1
724 1 32 ILE HG12 1 52 PHE HZ . . 4.740 4.093 3.710 4.486 . 0 0 "[ . 1 . 2]" 1
725 1 32 ILE HG13 1 32 ILE MG . . 3.580 3.183 3.148 3.199 . 0 0 "[ . 1 . 2]" 1
726 1 32 ILE HG13 1 33 GLY H . . 4.530 4.301 4.171 4.483 . 0 0 "[ . 1 . 2]" 1
727 1 32 ILE HG13 1 52 PHE QE . . 4.560 3.244 2.710 3.629 . 0 0 "[ . 1 . 2]" 1
728 1 32 ILE HG13 1 52 PHE HZ . . 4.470 3.715 3.283 3.978 . 0 0 "[ . 1 . 2]" 1
729 1 32 ILE MG 1 33 GLY H . . 3.840 3.142 2.856 3.452 . 0 0 "[ . 1 . 2]" 1
730 1 32 ILE MG 1 36 GLY H . . 4.210 3.805 3.333 4.188 . 0 0 "[ . 1 . 2]" 1
731 1 32 ILE MG 1 36 GLY HA2 . . 3.800 2.148 1.938 2.631 . 0 0 "[ . 1 . 2]" 1
732 1 32 ILE MG 1 36 GLY QA . . 3.220 2.108 1.910 2.573 . 0 0 "[ . 1 . 2]" 1
733 1 32 ILE MG 1 36 GLY HA3 . . 3.800 3.072 2.676 3.635 . 0 0 "[ . 1 . 2]" 1
734 1 32 ILE MG 1 39 ILE HB . . 3.820 3.534 3.293 3.707 . 0 0 "[ . 1 . 2]" 1
735 1 32 ILE MG 1 39 ILE MG . . 3.300 2.323 2.015 2.547 . 0 0 "[ . 1 . 2]" 1
736 1 33 GLY H 1 38 VAL HB . . 4.670 4.424 3.962 4.670 0.000 14 0 "[ . 1 . 2]" 1
737 1 33 GLY H 1 38 VAL MG2 . . 4.750 4.472 4.091 4.746 . 0 0 "[ . 1 . 2]" 1
738 1 33 GLY HA2 1 38 VAL H . . 4.870 4.595 4.173 4.864 . 0 0 "[ . 1 . 2]" 1
739 1 33 GLY HA2 1 38 VAL HB . . 4.620 3.571 2.804 4.009 . 0 0 "[ . 1 . 2]" 1
740 1 33 GLY HA2 1 38 VAL MG2 . . 4.070 2.731 1.990 3.144 . 0 0 "[ . 1 . 2]" 1
741 1 33 GLY HA3 1 38 VAL H . . 3.440 3.111 2.765 3.405 . 0 0 "[ . 1 . 2]" 1
742 1 33 GLY HA3 1 38 VAL HB . . 4.080 2.763 2.150 3.159 . 0 0 "[ . 1 . 2]" 1
743 1 33 GLY HA3 1 38 VAL MG2 . . 3.550 2.446 1.977 2.774 . 0 0 "[ . 1 . 2]" 1
744 1 35 LYS HA 1 35 LYS QG . . 3.670 2.743 2.234 3.427 . 0 0 "[ . 1 . 2]" 1
745 1 35 LYS QB 1 35 LYS QE . . 4.230 2.833 2.109 3.813 . 0 0 "[ . 1 . 2]" 1
746 1 35 LYS HB2 1 35 LYS QE . . 4.890 3.171 2.137 4.127 . 0 0 "[ . 1 . 2]" 1
747 1 35 LYS HB3 1 35 LYS QE . . 4.890 3.463 2.212 4.505 . 0 0 "[ . 1 . 2]" 1
748 1 36 GLY H 1 37 ALA MB . . 4.790 3.736 3.418 4.310 . 0 0 "[ . 1 . 2]" 1
749 1 36 GLY H 1 39 ILE MG . . 4.910 4.750 4.461 4.906 . 0 0 "[ . 1 . 2]" 1
750 1 36 GLY QA 1 39 ILE MG . . 3.510 2.754 2.523 2.969 . 0 0 "[ . 1 . 2]" 1
751 1 36 GLY HA2 1 39 ILE MG . . 4.130 2.868 2.599 3.115 . 0 0 "[ . 1 . 2]" 1
752 1 36 GLY HA3 1 39 ILE MG . . 4.130 3.574 3.320 3.949 . 0 0 "[ . 1 . 2]" 1
753 1 37 ALA H 1 38 VAL H . . 4.240 2.405 2.238 2.774 . 0 0 "[ . 1 . 2]" 1
754 1 37 ALA HA 1 40 THR H . . 3.750 3.511 3.143 3.732 . 0 0 "[ . 1 . 2]" 1
755 1 37 ALA HA 1 40 THR HB . . 3.740 2.560 2.259 3.173 . 0 0 "[ . 1 . 2]" 1
756 1 37 ALA HA 1 40 THR MG . . 4.220 3.755 3.493 4.155 . 0 0 "[ . 1 . 2]" 1
757 1 37 ALA MB 1 38 VAL H . . 3.740 2.753 2.291 3.151 . 0 0 "[ . 1 . 2]" 1
758 1 37 ALA MB 1 38 VAL HA . . 4.360 3.798 3.618 3.953 . 0 0 "[ . 1 . 2]" 1
759 1 37 ALA MB 1 38 VAL MG2 . . 3.840 3.355 3.171 3.558 . 0 0 "[ . 1 . 2]" 1
760 1 37 ALA MB 1 40 THR HB . . 4.640 3.802 3.659 4.211 . 0 0 "[ . 1 . 2]" 1
761 1 37 ALA MB 1 41 GLN H . . 4.970 4.475 4.157 4.944 . 0 0 "[ . 1 . 2]" 1
762 1 38 VAL H 1 38 VAL HB . . 3.320 2.599 2.495 2.684 . 0 0 "[ . 1 . 2]" 1
763 1 38 VAL H 1 38 VAL MG1 . . 3.830 3.770 3.764 3.777 . 0 0 "[ . 1 . 2]" 1
764 1 38 VAL H 1 38 VAL MG2 . . 3.220 2.084 1.881 2.210 . 0 0 "[ . 1 . 2]" 1
765 1 38 VAL H 1 40 THR H . . 4.420 4.027 3.593 4.377 . 0 0 "[ . 1 . 2]" 1
766 1 38 VAL HA 1 38 VAL MG1 . . 3.130 2.378 2.315 2.474 . 0 0 "[ . 1 . 2]" 1
767 1 38 VAL HA 1 38 VAL MG2 . . 2.950 2.376 2.267 2.474 . 0 0 "[ . 1 . 2]" 1
768 1 38 VAL HA 1 41 GLN H . . 3.990 3.761 3.559 3.939 . 0 0 "[ . 1 . 2]" 1
769 1 38 VAL HA 1 41 GLN HB2 . . 4.170 3.934 3.435 4.153 . 0 0 "[ . 1 . 2]" 1
770 1 38 VAL HA 1 41 GLN QB . . 3.590 3.211 3.040 3.418 . 0 0 "[ . 1 . 2]" 1
771 1 38 VAL HA 1 41 GLN HB3 . . 4.170 3.414 3.189 3.682 . 0 0 "[ . 1 . 2]" 1
772 1 38 VAL HB 1 39 ILE H . . 3.420 2.154 1.932 2.494 . 0 0 "[ . 1 . 2]" 1
773 1 38 VAL HB 1 39 ILE HA . . 4.240 4.198 4.079 4.240 . 0 0 "[ . 1 . 2]" 1
774 1 38 VAL HB 1 40 THR H . . 4.910 4.646 4.316 4.869 . 0 0 "[ . 1 . 2]" 1
775 1 38 VAL MG1 1 39 ILE H . . 3.710 3.037 2.752 3.436 . 0 0 "[ . 1 . 2]" 1
776 1 38 VAL MG1 1 39 ILE HA . . 4.200 3.283 3.070 3.490 . 0 0 "[ . 1 . 2]" 1
777 1 38 VAL MG2 1 39 ILE H . . 3.800 3.660 3.547 3.767 . 0 0 "[ . 1 . 2]" 1
778 1 39 ILE H 1 39 ILE HB . . 3.380 2.497 2.396 2.626 . 0 0 "[ . 1 . 2]" 1
779 1 39 ILE H 1 39 ILE MD . . 4.610 4.041 3.907 4.160 . 0 0 "[ . 1 . 2]" 1
780 1 39 ILE H 1 39 ILE QG . . 4.220 4.059 4.034 4.083 . 0 0 "[ . 1 . 2]" 1
781 1 39 ILE H 1 39 ILE MG . . 3.390 2.155 1.907 2.363 . 0 0 "[ . 1 . 2]" 1
782 1 39 ILE H 1 40 THR H . . 3.490 2.751 2.539 2.928 . 0 0 "[ . 1 . 2]" 1
783 1 39 ILE H 1 41 GLN H . . 5.100 4.450 4.204 4.759 . 0 0 "[ . 1 . 2]" 1
784 1 39 ILE H 1 42 ILE MD . . 4.900 4.139 3.852 4.442 . 0 0 "[ . 1 . 2]" 1
785 1 39 ILE HA 1 39 ILE MD . . 3.380 2.265 1.987 2.527 . 0 0 "[ . 1 . 2]" 1
786 1 39 ILE HA 1 39 ILE QG . . 3.840 2.735 2.535 2.932 . 0 0 "[ . 1 . 2]" 1
787 1 39 ILE HA 1 42 ILE H . . 4.330 3.560 3.253 3.809 . 0 0 "[ . 1 . 2]" 1
788 1 39 ILE HA 1 42 ILE HB . . 3.710 3.037 2.777 3.399 . 0 0 "[ . 1 . 2]" 1
789 1 39 ILE HA 1 42 ILE MD . . 3.710 2.311 1.977 2.696 . 0 0 "[ . 1 . 2]" 1
790 1 39 ILE HA 1 42 ILE HG12 . . 5.370 4.879 4.522 5.225 . 0 0 "[ . 1 . 2]" 1
791 1 39 ILE HA 1 42 ILE HG13 . . 4.450 3.784 3.282 4.170 . 0 0 "[ . 1 . 2]" 1
792 1 39 ILE HA 1 43 ARG H . . 4.360 4.197 3.930 4.343 . 0 0 "[ . 1 . 2]" 1
793 1 39 ILE HB 1 40 THR H . . 4.000 3.902 3.759 4.035 0.035 20 0 "[ . 1 . 2]" 1
794 1 39 ILE MD 1 39 ILE MG . . 3.370 3.206 3.128 3.249 . 0 0 "[ . 1 . 2]" 1
795 1 39 ILE MD 1 42 ILE HB . . 4.000 3.153 2.642 3.696 . 0 0 "[ . 1 . 2]" 1
796 1 39 ILE MD 1 50 ILE MD . . 3.370 2.065 1.809 2.529 . 0 0 "[ . 1 . 2]" 1
797 1 39 ILE MD 1 50 ILE MG . . 3.670 1.977 1.842 2.192 . 0 0 "[ . 1 . 2]" 1
798 1 39 ILE MD 1 51 GLN H . . 5.500 5.422 4.959 5.501 0.001 16 0 "[ . 1 . 2]" 1
799 1 39 ILE MD 1 52 PHE QE . . 3.760 2.466 2.148 2.879 . 0 0 "[ . 1 . 2]" 1
800 1 39 ILE MD 1 52 PHE HZ . . 4.060 2.162 1.944 2.410 . 0 0 "[ . 1 . 2]" 1
801 1 39 ILE QG 1 39 ILE MG . . 3.070 2.090 2.006 2.122 . 0 0 "[ . 1 . 2]" 1
802 1 39 ILE QG 1 40 THR H . . 4.210 3.717 3.508 3.985 . 0 0 "[ . 1 . 2]" 1
803 1 39 ILE QG 1 43 ARG H . . 4.680 3.812 3.344 4.219 . 0 0 "[ . 1 . 2]" 1
804 1 39 ILE QG 1 43 ARG HD2 . . 4.430 2.772 2.105 4.029 . 0 0 "[ . 1 . 2]" 1
805 1 39 ILE QG 1 43 ARG HD3 . . 4.430 3.136 2.502 4.096 . 0 0 "[ . 1 . 2]" 1
806 1 39 ILE QG 1 50 ILE MD . . 4.230 2.877 2.404 3.376 . 0 0 "[ . 1 . 2]" 1
807 1 39 ILE QG 1 50 ILE MG . . 5.500 3.045 2.641 3.512 . 0 0 "[ . 1 . 2]" 1
808 1 39 ILE QG 1 52 PHE QE . . 4.100 2.435 2.013 3.033 . 0 0 "[ . 1 . 2]" 1
809 1 39 ILE QG 1 52 PHE HZ . . 4.550 3.719 3.166 4.274 . 0 0 "[ . 1 . 2]" 1
810 1 39 ILE MG 1 40 THR H . . 3.460 1.978 1.777 2.179 . 0 0 "[ . 1 . 2]" 1
811 1 39 ILE MG 1 40 THR HA . . 3.860 3.110 2.949 3.329 . 0 0 "[ . 1 . 2]" 1
812 1 39 ILE MG 1 40 THR HB . . 5.100 3.944 3.813 4.126 . 0 0 "[ . 1 . 2]" 1
813 1 39 ILE MG 1 41 GLN H . . 5.000 4.320 4.128 4.467 . 0 0 "[ . 1 . 2]" 1
814 1 39 ILE MG 1 43 ARG H . . 5.440 4.884 4.640 5.233 . 0 0 "[ . 1 . 2]" 1
815 1 39 ILE MG 1 43 ARG HD2 . . 4.620 3.638 2.600 4.617 . 0 0 "[ . 1 . 2]" 1
816 1 39 ILE MG 1 43 ARG HD3 . . 4.620 3.737 3.236 4.477 . 0 0 "[ . 1 . 2]" 1
817 1 39 ILE MG 1 52 PHE QE . . 4.400 3.497 3.019 3.936 . 0 0 "[ . 1 . 2]" 1
818 1 40 THR H 1 40 THR HB . . 3.170 2.603 2.469 2.903 . 0 0 "[ . 1 . 2]" 1
819 1 40 THR H 1 40 THR MG . . 3.840 3.760 3.684 3.771 . 0 0 "[ . 1 . 2]" 1
820 1 40 THR H 1 41 GLN H . . 3.570 2.805 2.588 3.089 . 0 0 "[ . 1 . 2]" 1
821 1 40 THR H 1 42 ILE H . . 4.900 4.329 4.027 4.607 . 0 0 "[ . 1 . 2]" 1
822 1 40 THR HA 1 40 THR MG . . 3.350 2.355 2.067 2.481 . 0 0 "[ . 1 . 2]" 1
823 1 40 THR HA 1 43 ARG H . . 4.140 3.519 3.164 3.775 . 0 0 "[ . 1 . 2]" 1
824 1 40 THR HA 1 43 ARG HB2 . . 4.470 2.635 2.311 2.880 . 0 0 "[ . 1 . 2]" 1
825 1 40 THR HA 1 43 ARG QB . . 3.600 2.609 2.295 2.846 . 0 0 "[ . 1 . 2]" 1
826 1 40 THR HA 1 43 ARG HB3 . . 4.470 4.206 3.918 4.450 . 0 0 "[ . 1 . 2]" 1
827 1 40 THR HA 1 43 ARG HD2 . . 4.590 3.497 2.005 4.160 . 0 0 "[ . 1 . 2]" 1
828 1 40 THR HA 1 43 ARG QD . . 3.900 2.530 1.994 3.860 . 0 0 "[ . 1 . 2]" 1
829 1 40 THR HA 1 43 ARG HD3 . . 4.590 2.973 2.002 4.573 . 0 0 "[ . 1 . 2]" 1
830 1 40 THR HA 1 43 ARG HG2 . . 4.980 4.804 4.621 4.941 . 0 0 "[ . 1 . 2]" 1
831 1 40 THR HA 1 43 ARG HG3 . . 3.990 3.713 3.250 3.973 . 0 0 "[ . 1 . 2]" 1
832 1 40 THR HA 1 44 LEU H . . 4.570 4.098 3.718 4.504 . 0 0 "[ . 1 . 2]" 1
833 1 40 THR HB 1 41 GLN H . . 3.680 2.491 2.161 2.855 . 0 0 "[ . 1 . 2]" 1
834 1 40 THR HB 1 41 GLN QB . . 4.920 4.025 3.888 4.194 . 0 0 "[ . 1 . 2]" 1
835 1 40 THR HB 1 44 LEU MD1 . . 5.150 4.332 3.644 4.826 . 0 0 "[ . 1 . 2]" 1
836 1 40 THR MG 1 41 GLN H . . 4.230 3.416 3.053 3.986 . 0 0 "[ . 1 . 2]" 1
837 1 40 THR MG 1 41 GLN HA . . 4.450 3.543 3.237 4.249 . 0 0 "[ . 1 . 2]" 1
838 1 40 THR MG 1 44 LEU H . . 4.620 3.845 3.385 4.369 . 0 0 "[ . 1 . 2]" 1
839 1 40 THR MG 1 44 LEU MD1 . . 3.220 2.279 1.984 2.645 . 0 0 "[ . 1 . 2]" 1
840 1 40 THR MG 1 44 LEU HG . . 3.760 3.029 2.413 3.546 . 0 0 "[ . 1 . 2]" 1
841 1 41 GLN H 1 41 GLN HB2 . . 3.500 2.531 2.408 2.662 . 0 0 "[ . 1 . 2]" 1
842 1 41 GLN H 1 41 GLN HB3 . . 3.500 2.527 2.401 2.656 . 0 0 "[ . 1 . 2]" 1
843 1 41 GLN H 1 41 GLN HG2 . . 4.620 4.543 4.409 4.615 . 0 0 "[ . 1 . 2]" 1
844 1 41 GLN H 1 41 GLN HG3 . . 4.620 4.501 4.364 4.625 0.005 12 0 "[ . 1 . 2]" 1
845 1 41 GLN H 1 42 ILE H . . 3.780 2.808 2.569 2.969 . 0 0 "[ . 1 . 2]" 1
846 1 41 GLN H 1 42 ILE HG13 . . 4.960 4.480 4.176 4.755 . 0 0 "[ . 1 . 2]" 1
847 1 41 GLN H 1 43 ARG H . . 4.920 4.235 4.000 4.462 . 0 0 "[ . 1 . 2]" 1
848 1 41 GLN HA 1 41 GLN QE . . 5.120 3.513 2.189 4.100 . 0 0 "[ . 1 . 2]" 1
849 1 41 GLN HA 1 41 GLN HG2 . . 3.830 3.327 2.401 3.837 0.007 3 0 "[ . 1 . 2]" 1
850 1 41 GLN HA 1 41 GLN QG . . 3.340 2.773 2.366 3.123 . 0 0 "[ . 1 . 2]" 1
851 1 41 GLN HA 1 41 GLN HG3 . . 3.830 3.275 2.784 3.690 . 0 0 "[ . 1 . 2]" 1
852 1 41 GLN HA 1 43 ARG H . . 5.030 4.549 4.094 4.761 . 0 0 "[ . 1 . 2]" 1
853 1 41 GLN HA 1 44 LEU H . . 3.900 3.789 3.479 3.898 . 0 0 "[ . 1 . 2]" 1
854 1 41 GLN HA 1 44 LEU QB . . 3.660 3.082 2.917 3.219 . 0 0 "[ . 1 . 2]" 1
855 1 41 GLN HA 1 44 LEU MD1 . . 3.970 3.225 2.702 3.680 . 0 0 "[ . 1 . 2]" 1
856 1 41 GLN HA 1 44 LEU HG . . 4.830 4.654 4.331 4.829 . 0 0 "[ . 1 . 2]" 1
857 1 41 GLN HA 1 45 GLU H . . 4.690 3.990 3.826 4.235 . 0 0 "[ . 1 . 2]" 1
858 1 41 GLN QB 1 42 ILE H . . 3.800 2.474 2.192 2.818 . 0 0 "[ . 1 . 2]" 1
859 1 41 GLN HB2 1 42 ILE H . . 4.330 3.842 3.661 4.010 . 0 0 "[ . 1 . 2]" 1
860 1 41 GLN HB3 1 42 ILE H . . 4.330 2.506 2.210 2.879 . 0 0 "[ . 1 . 2]" 1
861 1 41 GLN QE 1 44 LEU QB . . 4.760 4.148 2.847 4.698 . 0 0 "[ . 1 . 2]" 1
862 1 41 GLN QE 1 45 GLU QB . . 4.000 2.612 1.833 3.843 . 0 0 "[ . 1 . 2]" 1
863 1 41 GLN QE 1 45 GLU QG . . 4.760 3.751 2.556 4.714 . 0 0 "[ . 1 . 2]" 1
864 1 41 GLN QG 1 42 ILE H . . 5.170 3.673 3.211 4.131 . 0 0 "[ . 1 . 2]" 1
865 1 41 GLN QG 1 42 ILE HA . . 4.620 3.846 3.312 4.481 . 0 0 "[ . 1 . 2]" 1
866 1 41 GLN HG2 1 42 ILE HA . . 5.480 4.960 4.450 5.464 . 0 0 "[ . 1 . 2]" 1
867 1 41 GLN HG3 1 42 ILE HA . . 5.480 4.240 3.370 5.463 . 0 0 "[ . 1 . 2]" 1
868 1 42 ILE H 1 42 ILE HB . . 3.620 2.547 2.452 2.632 . 0 0 "[ . 1 . 2]" 1
869 1 42 ILE H 1 42 ILE MD . . 4.120 3.241 3.044 3.404 . 0 0 "[ . 1 . 2]" 1
870 1 42 ILE H 1 42 ILE HG12 . . 4.040 3.575 3.377 3.773 . 0 0 "[ . 1 . 2]" 1
871 1 42 ILE H 1 42 ILE HG13 . . 3.680 2.111 1.919 2.344 . 0 0 "[ . 1 . 2]" 1
872 1 42 ILE H 1 42 ILE MG . . 4.270 3.764 3.753 3.770 . 0 0 "[ . 1 . 2]" 1
873 1 42 ILE H 1 43 ARG H . . 3.530 2.694 2.419 2.971 . 0 0 "[ . 1 . 2]" 1
874 1 42 ILE HA 1 42 ILE MD . . 4.050 3.881 3.853 3.921 . 0 0 "[ . 1 . 2]" 1
875 1 42 ILE HA 1 42 ILE HG12 . . 3.360 2.739 2.626 2.855 . 0 0 "[ . 1 . 2]" 1
876 1 42 ILE HA 1 42 ILE HG13 . . 3.600 2.774 2.649 2.951 . 0 0 "[ . 1 . 2]" 1
877 1 42 ILE HA 1 42 ILE MG . . 3.360 2.358 2.231 2.467 . 0 0 "[ . 1 . 2]" 1
878 1 42 ILE HA 1 44 LEU H . . 4.960 4.633 4.044 4.959 . 0 0 "[ . 1 . 2]" 1
879 1 42 ILE HA 1 45 GLU H . . 4.560 3.516 3.204 3.752 . 0 0 "[ . 1 . 2]" 1
880 1 42 ILE HA 1 45 GLU HB2 . . 4.300 3.009 2.740 3.314 . 0 0 "[ . 1 . 2]" 1
881 1 42 ILE HA 1 45 GLU QB . . 3.560 2.462 2.252 2.702 . 0 0 "[ . 1 . 2]" 1
882 1 42 ILE HA 1 45 GLU HB3 . . 4.300 2.635 2.356 3.173 . 0 0 "[ . 1 . 2]" 1
883 1 42 ILE HA 1 46 HIS H . . 4.890 4.112 3.843 4.486 . 0 0 "[ . 1 . 2]" 1
884 1 42 ILE HA 1 46 HIS HD2 . . 3.780 3.679 3.412 3.777 . 0 0 "[ . 1 . 2]" 1
885 1 42 ILE HB 1 42 ILE MD . . 3.290 2.266 2.168 2.376 . 0 0 "[ . 1 . 2]" 1
886 1 42 ILE HB 1 43 ARG H . . 3.460 2.559 2.302 2.803 . 0 0 "[ . 1 . 2]" 1
887 1 42 ILE HB 1 43 ARG HA . . 5.090 4.211 4.071 4.305 . 0 0 "[ . 1 . 2]" 1
888 1 42 ILE HB 1 50 ILE MD . . 4.060 3.085 2.758 3.356 . 0 0 "[ . 1 . 2]" 1
889 1 42 ILE MD 1 80 ALA MB . . 3.480 2.570 2.072 3.105 . 0 0 "[ . 1 . 2]" 1
890 1 42 ILE HG12 1 42 ILE MG . . 3.360 2.200 2.060 2.309 . 0 0 "[ . 1 . 2]" 1
891 1 42 ILE HG12 1 43 ARG H . . 5.500 5.051 4.917 5.159 . 0 0 "[ . 1 . 2]" 1
892 1 42 ILE HG13 1 42 ILE MG . . 3.580 3.161 3.135 3.186 . 0 0 "[ . 1 . 2]" 1
893 1 42 ILE MG 1 43 ARG H . . 3.890 3.425 3.222 3.611 . 0 0 "[ . 1 . 2]" 1
894 1 42 ILE MG 1 43 ARG HA . . 4.060 3.502 3.268 3.645 . 0 0 "[ . 1 . 2]" 1
895 1 42 ILE MG 1 46 HIS H . . 4.590 3.917 3.657 4.358 . 0 0 "[ . 1 . 2]" 1
896 1 42 ILE MG 1 46 HIS HB2 . . 4.460 3.992 3.496 4.219 . 0 0 "[ . 1 . 2]" 1
897 1 42 ILE MG 1 46 HIS HB3 . . 5.400 5.137 4.792 5.376 . 0 0 "[ . 1 . 2]" 1
898 1 42 ILE MG 1 46 HIS HD2 . . 3.370 1.993 1.833 2.154 . 0 0 "[ . 1 . 2]" 1
899 1 42 ILE MG 1 77 ALA HA . . 3.760 2.793 2.409 3.010 . 0 0 "[ . 1 . 2]" 1
900 1 42 ILE MG 1 77 ALA MB . . 3.300 2.388 2.049 2.817 . 0 0 "[ . 1 . 2]" 1
901 1 42 ILE MG 1 80 ALA MB . . 3.360 2.480 2.233 2.784 . 0 0 "[ . 1 . 2]" 1
902 1 43 ARG H 1 43 ARG HB2 . . 3.760 2.375 2.268 2.504 . 0 0 "[ . 1 . 2]" 1
903 1 43 ARG H 1 43 ARG QB . . 3.290 2.342 2.243 2.459 . 0 0 "[ . 1 . 2]" 1
904 1 43 ARG H 1 43 ARG HB3 . . 3.760 3.569 3.537 3.593 . 0 0 "[ . 1 . 2]" 1
905 1 43 ARG H 1 43 ARG HD2 . . 4.830 4.355 3.536 4.798 . 0 0 "[ . 1 . 2]" 1
906 1 43 ARG H 1 43 ARG HD3 . . 4.830 4.137 3.552 4.829 . 0 0 "[ . 1 . 2]" 1
907 1 43 ARG H 1 43 ARG HG2 . . 3.980 3.723 3.353 3.951 . 0 0 "[ . 1 . 2]" 1
908 1 43 ARG H 1 43 ARG HG3 . . 3.070 2.439 2.179 2.681 . 0 0 "[ . 1 . 2]" 1
909 1 43 ARG H 1 44 LEU H . . 3.450 2.837 2.688 3.065 . 0 0 "[ . 1 . 2]" 1
910 1 43 ARG H 1 48 VAL MG2 . . 4.900 4.660 4.330 4.896 . 0 0 "[ . 1 . 2]" 1
911 1 43 ARG H 1 50 ILE MD . . 4.130 3.441 3.167 3.656 . 0 0 "[ . 1 . 2]" 1
912 1 43 ARG HA 1 43 ARG HG2 . . 3.860 2.597 2.449 2.714 . 0 0 "[ . 1 . 2]" 1
913 1 43 ARG HA 1 43 ARG HG3 . . 3.970 2.797 2.632 3.092 . 0 0 "[ . 1 . 2]" 1
914 1 43 ARG HA 1 46 HIS H . . 5.010 3.988 3.732 4.365 . 0 0 "[ . 1 . 2]" 1
915 1 43 ARG HA 1 47 ASP H . . 4.800 4.491 4.168 4.776 . 0 0 "[ . 1 . 2]" 1
916 1 43 ARG HA 1 48 VAL H . . 3.450 3.098 3.002 3.291 . 0 0 "[ . 1 . 2]" 1
917 1 43 ARG HA 1 48 VAL MG2 . . 3.400 2.328 1.971 2.716 . 0 0 "[ . 1 . 2]" 1
918 1 43 ARG HA 1 50 ILE MD . . 4.120 2.781 2.278 3.322 . 0 0 "[ . 1 . 2]" 1
919 1 43 ARG HA 1 50 ILE QG . . 4.920 3.634 3.393 3.895 . 0 0 "[ . 1 . 2]" 1
920 1 43 ARG QB 1 43 ARG QD . . 3.000 2.174 2.105 2.280 . 0 0 "[ . 1 . 2]" 1
921 1 43 ARG QB 1 44 LEU H . . 3.580 2.415 2.219 2.707 . 0 0 "[ . 1 . 2]" 1
922 1 43 ARG HB2 1 44 LEU H . . 4.310 2.487 2.263 2.823 . 0 0 "[ . 1 . 2]" 1
923 1 43 ARG HB3 1 44 LEU H . . 4.310 3.289 2.984 3.642 . 0 0 "[ . 1 . 2]" 1
924 1 43 ARG HD2 1 50 ILE HB . . 4.360 3.166 2.383 4.360 . 0 0 "[ . 1 . 2]" 1
925 1 43 ARG HD3 1 50 ILE HB . . 4.360 3.789 1.996 4.330 . 0 0 "[ . 1 . 2]" 1
926 1 43 ARG HG2 1 44 LEU H . . 5.170 4.981 4.837 5.169 . 0 0 "[ . 1 . 2]" 1
927 1 43 ARG HG2 1 48 VAL H . . 5.110 4.735 4.360 5.091 . 0 0 "[ . 1 . 2]" 1
928 1 43 ARG HG2 1 50 ILE H . . 4.640 2.375 2.032 2.798 . 0 0 "[ . 1 . 2]" 1
929 1 43 ARG HG2 1 50 ILE MD . . 4.070 2.556 1.959 2.897 . 0 0 "[ . 1 . 2]" 1
930 1 43 ARG HG2 1 50 ILE QG . . 4.230 2.588 2.075 3.153 . 0 0 "[ . 1 . 2]" 1
931 1 43 ARG HG3 1 44 LEU H . . 4.890 4.468 4.224 4.716 . 0 0 "[ . 1 . 2]" 1
932 1 43 ARG HG3 1 50 ILE HB . . 5.050 3.004 2.659 3.294 . 0 0 "[ . 1 . 2]" 1
933 1 43 ARG HG3 1 50 ILE MD . . 3.740 2.186 1.959 3.034 . 0 0 "[ . 1 . 2]" 1
934 1 43 ARG HG3 1 50 ILE QG . . 4.490 3.495 2.795 3.978 . 0 0 "[ . 1 . 2]" 1
935 1 44 LEU H 1 44 LEU HB2 . . 3.620 2.325 2.251 2.396 . 0 0 "[ . 1 . 2]" 1
936 1 44 LEU H 1 44 LEU QB . . 3.160 2.296 2.227 2.362 . 0 0 "[ . 1 . 2]" 1
937 1 44 LEU H 1 44 LEU HB3 . . 3.620 3.558 3.532 3.575 . 0 0 "[ . 1 . 2]" 1
938 1 44 LEU H 1 44 LEU MD1 . . 3.940 3.502 3.210 3.770 . 0 0 "[ . 1 . 2]" 1
939 1 44 LEU H 1 44 LEU MD2 . . 4.380 3.797 3.592 4.066 . 0 0 "[ . 1 . 2]" 1
940 1 44 LEU H 1 44 LEU HG . . 3.130 2.606 2.404 2.889 . 0 0 "[ . 1 . 2]" 1
941 1 44 LEU H 1 45 GLU H . . 3.400 2.639 2.412 2.795 . 0 0 "[ . 1 . 2]" 1
942 1 44 LEU H 1 46 HIS H . . 5.180 4.453 4.159 4.626 . 0 0 "[ . 1 . 2]" 1
943 1 44 LEU HA 1 44 LEU MD1 . . 3.980 3.866 3.841 3.889 . 0 0 "[ . 1 . 2]" 1
944 1 44 LEU HA 1 44 LEU MD2 . . 3.160 2.232 1.983 2.386 . 0 0 "[ . 1 . 2]" 1
945 1 44 LEU HA 1 44 LEU HG . . 3.630 2.820 2.683 2.929 . 0 0 "[ . 1 . 2]" 1
946 1 44 LEU HA 1 47 ASP H . . 4.330 3.117 2.848 3.332 . 0 0 "[ . 1 . 2]" 1
947 1 44 LEU QB 1 44 LEU MD2 . . 2.940 2.176 2.098 2.295 . 0 0 "[ . 1 . 2]" 1
948 1 44 LEU HB2 1 44 LEU MD1 . . 3.430 2.207 2.064 2.355 . 0 0 "[ . 1 . 2]" 1
949 1 44 LEU HB2 1 44 LEU MD2 . . 3.400 3.167 3.136 3.187 . 0 0 "[ . 1 . 2]" 1
950 1 44 LEU HB2 1 45 GLU H . . 3.540 2.639 2.460 2.778 . 0 0 "[ . 1 . 2]" 1
951 1 44 LEU HB3 1 44 LEU MD1 . . 3.430 2.486 2.346 2.639 . 0 0 "[ . 1 . 2]" 1
952 1 44 LEU HB3 1 44 LEU MD2 . . 3.400 2.217 2.129 2.354 . 0 0 "[ . 1 . 2]" 1
953 1 44 LEU HB3 1 45 GLU H . . 3.540 3.455 3.338 3.527 . 0 0 "[ . 1 . 2]" 1
954 1 44 LEU HG 1 45 GLU H . . 5.160 4.575 4.457 4.699 . 0 0 "[ . 1 . 2]" 1
955 1 45 GLU H 1 45 GLU HB2 . . 3.490 2.402 2.181 2.591 . 0 0 "[ . 1 . 2]" 1
956 1 45 GLU H 1 45 GLU QB . . 3.030 2.227 2.131 2.269 . 0 0 "[ . 1 . 2]" 1
957 1 45 GLU H 1 45 GLU HB3 . . 3.490 2.674 2.457 2.995 . 0 0 "[ . 1 . 2]" 1
958 1 45 GLU H 1 45 GLU HG2 . . 5.010 4.577 4.423 4.635 . 0 0 "[ . 1 . 2]" 1
959 1 45 GLU H 1 45 GLU QG . . 4.170 4.008 3.835 4.067 . 0 0 "[ . 1 . 2]" 1
960 1 45 GLU H 1 45 GLU HG3 . . 5.010 4.434 4.091 4.546 . 0 0 "[ . 1 . 2]" 1
961 1 45 GLU H 1 46 HIS H . . 3.480 2.950 2.800 3.114 . 0 0 "[ . 1 . 2]" 1
962 1 45 GLU H 1 46 HIS HD2 . . 5.350 5.146 4.817 5.311 . 0 0 "[ . 1 . 2]" 1
963 1 45 GLU H 1 47 ASP H . . 4.550 3.715 3.622 3.855 . 0 0 "[ . 1 . 2]" 1
964 1 45 GLU HA 1 45 GLU HG2 . . 4.090 3.541 2.999 3.820 . 0 0 "[ . 1 . 2]" 1
965 1 45 GLU HA 1 45 GLU QG . . 3.450 2.637 2.165 2.961 . 0 0 "[ . 1 . 2]" 1
966 1 45 GLU HA 1 45 GLU HG3 . . 4.090 2.724 2.208 3.093 . 0 0 "[ . 1 . 2]" 1
967 1 45 GLU HA 1 47 ASP H . . 5.090 4.053 3.864 4.235 . 0 0 "[ . 1 . 2]" 1
968 1 45 GLU QB 1 46 HIS H . . 3.390 2.329 2.141 2.704 . 0 0 "[ . 1 . 2]" 1
969 1 45 GLU QB 1 46 HIS HD2 . . 4.470 3.320 2.960 3.736 . 0 0 "[ . 1 . 2]" 1
970 1 45 GLU QB 1 47 ASP H . . 4.910 4.197 4.058 4.421 . 0 0 "[ . 1 . 2]" 1
971 1 45 GLU HB2 1 46 HIS H . . 3.960 3.695 3.446 3.921 . 0 0 "[ . 1 . 2]" 1
972 1 45 GLU HB3 1 46 HIS H . . 3.960 2.356 2.159 2.756 . 0 0 "[ . 1 . 2]" 1
973 1 45 GLU QG 1 46 HIS H . . 4.260 3.500 3.119 3.974 . 0 0 "[ . 1 . 2]" 1
974 1 45 GLU QG 1 46 HIS HE1 . . 4.230 3.770 3.270 4.224 . 0 0 "[ . 1 . 2]" 1
975 1 45 GLU HG2 1 46 HIS H . . 4.880 4.078 3.224 4.877 . 0 0 "[ . 1 . 2]" 1
976 1 45 GLU HG3 1 46 HIS H . . 4.880 4.032 3.234 4.691 . 0 0 "[ . 1 . 2]" 1
977 1 46 HIS H 1 46 HIS HB2 . . 3.530 2.585 2.423 2.739 . 0 0 "[ . 1 . 2]" 1
978 1 46 HIS H 1 46 HIS HB3 . . 3.820 3.670 3.612 3.727 . 0 0 "[ . 1 . 2]" 1
979 1 46 HIS H 1 46 HIS HD2 . . 4.070 3.141 2.678 3.575 . 0 0 "[ . 1 . 2]" 1
980 1 46 HIS H 1 47 ASP H . . 3.180 2.361 2.095 2.526 . 0 0 "[ . 1 . 2]" 1
981 1 46 HIS H 1 47 ASP HA . . 4.920 4.517 4.262 4.690 . 0 0 "[ . 1 . 2]" 1
982 1 46 HIS H 1 48 VAL MG2 . . 4.530 3.689 3.273 4.078 . 0 0 "[ . 1 . 2]" 1
983 1 46 HIS H 1 77 ALA MB . . 5.010 4.248 3.861 4.589 . 0 0 "[ . 1 . 2]" 1
984 1 46 HIS HB2 1 47 ASP H . . 4.450 3.576 3.345 3.893 . 0 0 "[ . 1 . 2]" 1
985 1 46 HIS HB2 1 48 VAL H . . 4.670 3.404 3.041 3.714 . 0 0 "[ . 1 . 2]" 1
986 1 46 HIS HB2 1 48 VAL MG1 . . 4.070 2.722 2.129 3.271 . 0 0 "[ . 1 . 2]" 1
987 1 46 HIS HB2 1 48 VAL MG2 . . 3.830 2.104 1.941 2.418 . 0 0 "[ . 1 . 2]" 1
988 1 46 HIS HB2 1 77 ALA H . . 5.500 4.351 4.120 4.599 . 0 0 "[ . 1 . 2]" 1
989 1 46 HIS HB2 1 77 ALA MB . . 3.920 2.523 2.151 2.845 . 0 0 "[ . 1 . 2]" 1
990 1 46 HIS HB3 1 47 ASP H . . 4.620 4.349 4.241 4.497 . 0 0 "[ . 1 . 2]" 1
991 1 46 HIS HB3 1 48 VAL MG1 . . 3.940 2.696 2.278 3.049 . 0 0 "[ . 1 . 2]" 1
992 1 46 HIS HB3 1 48 VAL MG2 . . 4.080 3.108 2.700 3.556 . 0 0 "[ . 1 . 2]" 1
993 1 46 HIS HB3 1 77 ALA H . . 4.540 4.003 3.737 4.437 . 0 0 "[ . 1 . 2]" 1
994 1 46 HIS HB3 1 77 ALA MB . . 3.940 3.157 2.704 3.549 . 0 0 "[ . 1 . 2]" 1
995 1 46 HIS HD2 1 77 ALA HA . . 4.310 2.554 2.242 2.871 . 0 0 "[ . 1 . 2]" 1
996 1 46 HIS HD2 1 77 ALA MB . . 4.460 2.346 1.958 2.758 . 0 0 "[ . 1 . 2]" 1
997 1 46 HIS HD2 1 80 ALA MB . . 4.810 4.424 4.093 4.712 . 0 0 "[ . 1 . 2]" 1
998 1 46 HIS HE1 1 76 ALA MB . . 3.650 2.517 2.124 3.026 . 0 0 "[ . 1 . 2]" 1
999 1 47 ASP H 1 47 ASP HA . . 2.930 2.281 2.275 2.309 . 0 0 "[ . 1 . 2]" 1
1000 1 47 ASP H 1 47 ASP HB2 . . 4.030 3.386 2.985 3.987 . 0 0 "[ . 1 . 2]" 1
1001 1 47 ASP H 1 47 ASP QB . . 3.460 3.168 2.879 3.432 . 0 0 "[ . 1 . 2]" 1
1002 1 47 ASP H 1 47 ASP HB3 . . 4.030 3.916 3.174 4.060 0.030 20 0 "[ . 1 . 2]" 1
1003 1 47 ASP H 1 48 VAL H . . 3.420 2.832 2.621 3.042 . 0 0 "[ . 1 . 2]" 1
1004 1 47 ASP H 1 48 VAL MG2 . . 4.630 3.919 3.681 4.179 . 0 0 "[ . 1 . 2]" 1
1005 1 47 ASP HA 1 48 VAL H . . 3.100 2.718 2.615 2.868 . 0 0 "[ . 1 . 2]" 1
1006 1 47 ASP QB 1 48 VAL H . . 4.150 3.902 3.838 3.999 . 0 0 "[ . 1 . 2]" 1
1007 1 47 ASP QB 1 73 ASN QD . . 3.410 2.750 2.275 3.382 . 0 0 "[ . 1 . 2]" 1
1008 1 47 ASP HB2 1 48 VAL H . . 4.740 4.397 4.178 4.617 . 0 0 "[ . 1 . 2]" 1
1009 1 47 ASP HB2 1 73 ASN HD21 . . 4.970 3.329 2.339 4.685 . 0 0 "[ . 1 . 2]" 1
1010 1 47 ASP HB2 1 73 ASN HD22 . . 4.970 3.836 3.154 4.900 . 0 0 "[ . 1 . 2]" 1
1011 1 47 ASP HB3 1 48 VAL H . . 4.740 4.385 4.144 4.669 . 0 0 "[ . 1 . 2]" 1
1012 1 47 ASP HB3 1 73 ASN HD21 . . 4.970 3.819 2.797 4.745 . 0 0 "[ . 1 . 2]" 1
1013 1 47 ASP HB3 1 73 ASN HD22 . . 4.970 4.501 3.402 4.969 . 0 0 "[ . 1 . 2]" 1
1014 1 48 VAL H 1 48 VAL HB . . 3.930 3.798 3.734 3.866 . 0 0 "[ . 1 . 2]" 1
1015 1 48 VAL H 1 48 VAL MG1 . . 3.690 2.957 2.699 3.207 . 0 0 "[ . 1 . 2]" 1
1016 1 48 VAL H 1 48 VAL MG2 . . 3.090 2.045 1.891 2.271 . 0 0 "[ . 1 . 2]" 1
1017 1 48 VAL H 1 49 ASN H . . 4.580 4.457 4.420 4.514 . 0 0 "[ . 1 . 2]" 1
1018 1 48 VAL H 1 77 ALA MB . . 5.080 4.502 4.332 4.812 . 0 0 "[ . 1 . 2]" 1
1019 1 48 VAL HA 1 48 VAL MG1 . . 3.400 2.311 2.169 2.446 . 0 0 "[ . 1 . 2]" 1
1020 1 48 VAL HA 1 49 ASN H . . 3.050 2.466 2.306 2.575 . 0 0 "[ . 1 . 2]" 1
1021 1 48 VAL HA 1 49 ASN HB2 . . 5.030 4.368 4.160 4.700 . 0 0 "[ . 1 . 2]" 1
1022 1 48 VAL HA 1 49 ASN QB . . 4.430 4.015 3.963 4.070 . 0 0 "[ . 1 . 2]" 1
1023 1 48 VAL HA 1 49 ASN HB3 . . 5.030 4.739 4.380 5.025 . 0 0 "[ . 1 . 2]" 1
1024 1 48 VAL HA 1 67 ILE MG . . 5.500 4.659 4.442 4.962 . 0 0 "[ . 1 . 2]" 1
1025 1 48 VAL HA 1 68 THR HB . . 5.500 5.470 5.400 5.500 . 0 0 "[ . 1 . 2]" 1
1026 1 48 VAL HA 1 69 GLY HA2 . . 4.840 4.256 4.003 4.456 . 0 0 "[ . 1 . 2]" 1
1027 1 48 VAL HA 1 69 GLY HA3 . . 4.910 3.322 3.062 3.504 . 0 0 "[ . 1 . 2]" 1
1028 1 48 VAL HA 1 74 THR MG . . 5.220 4.461 4.043 4.778 . 0 0 "[ . 1 . 2]" 1
1029 1 48 VAL HB 1 49 ASN H . . 3.130 2.260 2.020 2.628 . 0 0 "[ . 1 . 2]" 1
1030 1 48 VAL HB 1 50 ILE QG . . 4.570 3.884 3.643 4.104 . 0 0 "[ . 1 . 2]" 1
1031 1 48 VAL HB 1 67 ILE MG . . 3.510 2.738 2.555 2.977 . 0 0 "[ . 1 . 2]" 1
1032 1 48 VAL HB 1 68 THR H . . 4.770 4.343 4.126 4.614 . 0 0 "[ . 1 . 2]" 1
1033 1 48 VAL HB 1 69 GLY HA2 . . 5.500 4.897 4.612 5.237 . 0 0 "[ . 1 . 2]" 1
1034 1 48 VAL HB 1 74 THR H . . 5.500 5.074 4.548 5.450 . 0 0 "[ . 1 . 2]" 1
1035 1 48 VAL HB 1 74 THR MG . . 4.530 3.106 2.725 3.585 . 0 0 "[ . 1 . 2]" 1
1036 1 48 VAL MG1 1 49 ASN H . . 3.760 3.597 3.328 3.749 . 0 0 "[ . 1 . 2]" 1
1037 1 48 VAL MG1 1 69 GLY H . . 5.200 4.903 4.628 5.118 . 0 0 "[ . 1 . 2]" 1
1038 1 48 VAL MG1 1 69 GLY HA2 . . 4.090 3.873 3.490 4.091 0.001 20 0 "[ . 1 . 2]" 1
1039 1 48 VAL MG1 1 69 GLY HA3 . . 3.680 2.472 2.089 2.789 . 0 0 "[ . 1 . 2]" 1
1040 1 48 VAL MG1 1 70 TYR H . . 3.770 3.320 2.897 3.610 . 0 0 "[ . 1 . 2]" 1
1041 1 48 VAL MG1 1 70 TYR QD . . 5.500 4.424 4.026 5.070 . 0 0 "[ . 1 . 2]" 1
1042 1 48 VAL MG1 1 73 ASN H . . 4.550 4.341 4.187 4.454 . 0 0 "[ . 1 . 2]" 1
1043 1 48 VAL MG1 1 73 ASN HA . . 4.620 3.733 3.465 3.980 . 0 0 "[ . 1 . 2]" 1
1044 1 48 VAL MG1 1 73 ASN HB2 . . 3.790 2.579 2.245 2.778 . 0 0 "[ . 1 . 2]" 1
1045 1 48 VAL MG1 1 73 ASN HB3 . . 3.600 1.999 1.839 2.161 . 0 0 "[ . 1 . 2]" 1
1046 1 48 VAL MG1 1 73 ASN HD21 . . 4.950 3.077 2.776 3.402 . 0 0 "[ . 1 . 2]" 1
1047 1 48 VAL MG1 1 73 ASN QD . . 4.230 3.021 2.740 3.318 . 0 0 "[ . 1 . 2]" 1
1048 1 48 VAL MG1 1 73 ASN HD22 . . 4.950 4.427 4.225 4.612 . 0 0 "[ . 1 . 2]" 1
1049 1 48 VAL MG1 1 74 THR H . . 4.110 2.949 2.554 3.287 . 0 0 "[ . 1 . 2]" 1
1050 1 48 VAL MG1 1 74 THR HA . . 3.470 2.354 2.055 2.739 . 0 0 "[ . 1 . 2]" 1
1051 1 48 VAL MG1 1 74 THR MG . . 3.480 2.320 1.973 2.669 . 0 0 "[ . 1 . 2]" 1
1052 1 48 VAL MG1 1 77 ALA H . . 4.290 4.128 3.857 4.294 0.004 17 0 "[ . 1 . 2]" 1
1053 1 48 VAL MG2 1 49 ASN H . . 3.750 3.340 2.971 3.682 . 0 0 "[ . 1 . 2]" 1
1054 1 48 VAL MG2 1 50 ILE HG12 . . 3.710 3.344 2.953 3.659 . 0 0 "[ . 1 . 2]" 1
1055 1 48 VAL MG2 1 50 ILE QG . . 3.100 2.456 2.139 2.806 . 0 0 "[ . 1 . 2]" 1
1056 1 48 VAL MG2 1 50 ILE HG13 . . 3.710 2.531 2.172 2.914 . 0 0 "[ . 1 . 2]" 1
1057 1 48 VAL MG2 1 67 ILE MG . . 3.350 2.673 2.385 3.161 . 0 0 "[ . 1 . 2]" 1
1058 1 48 VAL MG2 1 74 THR HA . . 4.160 3.120 2.799 3.420 . 0 0 "[ . 1 . 2]" 1
1059 1 48 VAL MG2 1 77 ALA H . . 4.280 3.893 3.694 4.103 . 0 0 "[ . 1 . 2]" 1
1060 1 48 VAL MG2 1 77 ALA MB . . 3.030 1.907 1.815 2.066 . 0 0 "[ . 1 . 2]" 1
1061 1 49 ASN H 1 49 ASN HB2 . . 3.660 2.932 2.639 3.334 . 0 0 "[ . 1 . 2]" 1
1062 1 49 ASN H 1 49 ASN QB . . 3.180 2.420 2.261 2.521 . 0 0 "[ . 1 . 2]" 1
1063 1 49 ASN H 1 49 ASN HB3 . . 3.660 2.610 2.322 2.814 . 0 0 "[ . 1 . 2]" 1
1064 1 49 ASN H 1 67 ILE MG . . 3.970 3.329 3.067 3.703 . 0 0 "[ . 1 . 2]" 1
1065 1 49 ASN H 1 68 THR H . . 3.680 3.325 3.188 3.481 . 0 0 "[ . 1 . 2]" 1
1066 1 49 ASN H 1 68 THR HB . . 4.080 3.708 3.564 3.863 . 0 0 "[ . 1 . 2]" 1
1067 1 49 ASN H 1 69 GLY HA2 . . 4.880 4.686 4.360 4.881 0.001 7 0 "[ . 1 . 2]" 1
1068 1 49 ASN H 1 69 GLY HA3 . . 4.250 3.770 3.499 3.965 . 0 0 "[ . 1 . 2]" 1
1069 1 49 ASN QB 1 68 THR H . . 4.090 2.846 2.608 3.102 . 0 0 "[ . 1 . 2]" 1
1070 1 49 ASN QB 1 68 THR HB . . 3.410 2.418 2.168 2.718 . 0 0 "[ . 1 . 2]" 1
1071 1 49 ASN HB2 1 68 THR H . . 4.760 4.505 4.231 4.761 0.001 6 0 "[ . 1 . 2]" 1
1072 1 49 ASN HB2 1 68 THR HB . . 4.130 3.710 3.235 4.014 . 0 0 "[ . 1 . 2]" 1
1073 1 49 ASN HB3 1 68 THR H . . 4.760 2.877 2.633 3.144 . 0 0 "[ . 1 . 2]" 1
1074 1 49 ASN HB3 1 68 THR HB . . 4.130 2.453 2.190 2.764 . 0 0 "[ . 1 . 2]" 1
1075 1 50 ILE H 1 50 ILE QG . . 4.590 2.714 2.506 2.905 . 0 0 "[ . 1 . 2]" 1
1076 1 50 ILE HA 1 50 ILE MD . . 4.540 3.876 3.845 3.913 . 0 0 "[ . 1 . 2]" 1
1077 1 50 ILE HA 1 50 ILE MG . . 3.430 2.341 2.205 2.433 . 0 0 "[ . 1 . 2]" 1
1078 1 50 ILE HA 1 51 GLN H . . 3.010 2.154 2.139 2.227 . 0 0 "[ . 1 . 2]" 1
1079 1 50 ILE HA 1 67 ILE HG12 . . 5.330 2.439 2.224 2.615 . 0 0 "[ . 1 . 2]" 1
1080 1 50 ILE HA 1 67 ILE MG . . 4.730 3.055 2.756 3.511 . 0 0 "[ . 1 . 2]" 1
1081 1 50 ILE HA 1 68 THR H . . 4.200 3.910 3.609 4.153 . 0 0 "[ . 1 . 2]" 1
1082 1 50 ILE HB 1 50 ILE MD . . 3.110 2.244 2.140 2.415 . 0 0 "[ . 1 . 2]" 1
1083 1 50 ILE HB 1 51 GLN H . . 4.350 4.244 3.947 4.350 . 0 0 "[ . 1 . 2]" 1
1084 1 50 ILE MD 1 50 ILE MG . . 3.100 2.227 1.934 2.436 . 0 0 "[ . 1 . 2]" 1
1085 1 50 ILE MD 1 52 PHE QE . . 5.060 4.668 4.327 5.029 . 0 0 "[ . 1 . 2]" 1
1086 1 50 ILE QG 1 50 ILE MG . . 3.140 2.190 2.052 2.269 . 0 0 "[ . 1 . 2]" 1
1087 1 50 ILE QG 1 51 GLN H . . 4.450 4.174 3.994 4.307 . 0 0 "[ . 1 . 2]" 1
1088 1 50 ILE QG 1 67 ILE HG12 . . 3.470 2.202 1.999 2.473 . 0 0 "[ . 1 . 2]" 1
1089 1 50 ILE QG 1 67 ILE MG . . 3.950 2.267 1.957 2.633 . 0 0 "[ . 1 . 2]" 1
1090 1 50 ILE HG12 1 67 ILE HA . . 5.070 4.064 3.819 4.333 . 0 0 "[ . 1 . 2]" 1
1091 1 50 ILE HG13 1 67 ILE HA . . 5.070 4.432 4.034 4.693 . 0 0 "[ . 1 . 2]" 1
1092 1 50 ILE MG 1 51 GLN H . . 3.470 2.604 1.924 3.002 . 0 0 "[ . 1 . 2]" 1
1093 1 50 ILE MG 1 52 PHE QD . . 4.480 3.724 3.400 4.021 . 0 0 "[ . 1 . 2]" 1
1094 1 50 ILE MG 1 52 PHE QE . . 3.750 2.841 2.405 3.209 . 0 0 "[ . 1 . 2]" 1
1095 1 50 ILE MG 1 52 PHE HZ . . 3.910 3.010 2.695 3.412 . 0 0 "[ . 1 . 2]" 1
1096 1 50 ILE MG 1 65 ILE MG . . 3.110 2.342 2.183 2.534 . 0 0 "[ . 1 . 2]" 1
1097 1 50 ILE MG 1 66 THR H . . 4.880 4.725 4.255 4.879 . 0 0 "[ . 1 . 2]" 1
1098 1 51 GLN H 1 51 GLN HB2 . . 3.820 2.842 2.415 3.239 . 0 0 "[ . 1 . 2]" 1
1099 1 51 GLN H 1 51 GLN QB . . 3.260 2.558 2.378 2.753 . 0 0 "[ . 1 . 2]" 1
1100 1 51 GLN H 1 51 GLN HB3 . . 3.820 3.032 2.692 3.756 . 0 0 "[ . 1 . 2]" 1
1101 1 51 GLN H 1 51 GLN HG2 . . 4.850 4.534 3.542 4.861 0.011 16 0 "[ . 1 . 2]" 1
1102 1 51 GLN H 1 51 GLN QG . . 4.230 4.024 3.399 4.235 0.005 19 0 "[ . 1 . 2]" 1
1103 1 51 GLN H 1 51 GLN HG3 . . 4.850 4.573 3.775 4.861 0.011 20 0 "[ . 1 . 2]" 1
1104 1 51 GLN H 1 65 ILE MG . . 4.140 3.399 3.020 3.587 . 0 0 "[ . 1 . 2]" 1
1105 1 51 GLN H 1 66 THR H . . 4.250 4.069 3.742 4.246 . 0 0 "[ . 1 . 2]" 1
1106 1 51 GLN H 1 66 THR HB . . 4.360 3.841 3.502 4.213 . 0 0 "[ . 1 . 2]" 1
1107 1 51 GLN H 1 66 THR MG . . 5.500 4.908 4.513 5.279 . 0 0 "[ . 1 . 2]" 1
1108 1 51 GLN H 1 67 ILE HA . . 4.040 3.333 3.043 3.605 . 0 0 "[ . 1 . 2]" 1
1109 1 51 GLN H 1 67 ILE HG12 . . 4.650 3.563 3.307 3.863 . 0 0 "[ . 1 . 2]" 1
1110 1 51 GLN HA 1 51 GLN HG2 . . 4.090 2.981 2.268 3.770 . 0 0 "[ . 1 . 2]" 1
1111 1 51 GLN HA 1 51 GLN HG3 . . 4.090 2.804 2.288 3.645 . 0 0 "[ . 1 . 2]" 1
1112 1 51 GLN HA 1 52 PHE H . . 2.910 2.203 2.140 2.347 . 0 0 "[ . 1 . 2]" 1
1113 1 51 GLN HA 1 65 ILE MG . . 4.610 4.555 4.382 4.609 . 0 0 "[ . 1 . 2]" 1
1114 1 51 GLN QB 1 66 THR H . . 4.220 4.117 3.840 4.223 0.003 17 0 "[ . 1 . 2]" 1
1115 1 51 GLN QB 1 66 THR HB . . 3.580 3.015 2.589 3.441 . 0 0 "[ . 1 . 2]" 1
1116 1 51 GLN HB2 1 52 PHE H . . 4.410 4.249 3.964 4.400 . 0 0 "[ . 1 . 2]" 1
1117 1 51 GLN HB2 1 66 THR HB . . 4.360 4.094 2.998 4.362 0.002 16 0 "[ . 1 . 2]" 1
1118 1 51 GLN HB3 1 52 PHE H . . 4.410 3.695 2.633 4.322 . 0 0 "[ . 1 . 2]" 1
1119 1 51 GLN HB3 1 66 THR HB . . 4.360 3.268 2.614 4.352 . 0 0 "[ . 1 . 2]" 1
1120 1 51 GLN QG 1 52 PHE H . . 4.090 2.892 1.997 4.063 . 0 0 "[ . 1 . 2]" 1
1121 1 51 GLN HG2 1 52 PHE H . . 4.750 3.480 2.296 4.490 . 0 0 "[ . 1 . 2]" 1
1122 1 51 GLN HG3 1 52 PHE H . . 4.750 3.502 2.005 4.741 . 0 0 "[ . 1 . 2]" 1
1123 1 52 PHE H 1 52 PHE HB2 . . 3.320 2.542 2.429 2.656 . 0 0 "[ . 1 . 2]" 1
1124 1 52 PHE H 1 52 PHE HB3 . . 3.910 3.691 3.620 3.777 . 0 0 "[ . 1 . 2]" 1
1125 1 52 PHE H 1 52 PHE QD . . 3.730 2.450 2.073 2.773 . 0 0 "[ . 1 . 2]" 1
1126 1 52 PHE H 1 53 PRO HD2 . . 5.100 4.815 4.799 4.832 . 0 0 "[ . 1 . 2]" 1
1127 1 52 PHE HA 1 52 PHE QD . . 4.220 2.965 2.670 3.139 . 0 0 "[ . 1 . 2]" 1
1128 1 52 PHE HA 1 53 PRO HD2 . . 3.620 2.361 2.302 2.393 . 0 0 "[ . 1 . 2]" 1
1129 1 52 PHE HA 1 53 PRO HD3 . . 3.460 2.284 2.267 2.295 . 0 0 "[ . 1 . 2]" 1
1130 1 52 PHE HA 1 53 PRO HG2 . . 4.580 4.481 4.432 4.507 . 0 0 "[ . 1 . 2]" 1
1131 1 52 PHE HA 1 53 PRO HG3 . . 4.550 4.448 4.415 4.467 . 0 0 "[ . 1 . 2]" 1
1132 1 52 PHE HA 1 65 ILE HA . . 4.310 3.102 2.967 3.234 . 0 0 "[ . 1 . 2]" 1
1133 1 52 PHE HA 1 65 ILE HG12 . . 4.760 3.727 3.337 4.238 . 0 0 "[ . 1 . 2]" 1
1134 1 52 PHE HA 1 65 ILE MG . . 4.380 2.722 2.393 3.162 . 0 0 "[ . 1 . 2]" 1
1135 1 52 PHE HA 1 66 THR H . . 4.410 3.502 3.264 3.841 . 0 0 "[ . 1 . 2]" 1
1136 1 52 PHE HB2 1 53 PRO HD2 . . 4.150 3.612 3.545 3.746 . 0 0 "[ . 1 . 2]" 1
1137 1 52 PHE HB2 1 53 PRO HD3 . . 4.830 4.687 4.641 4.772 . 0 0 "[ . 1 . 2]" 1
1138 1 52 PHE HB3 1 53 PRO HD2 . . 3.880 2.069 2.000 2.214 . 0 0 "[ . 1 . 2]" 1
1139 1 52 PHE HB3 1 53 PRO HD3 . . 4.120 3.506 3.443 3.635 . 0 0 "[ . 1 . 2]" 1
1140 1 52 PHE QD 1 53 PRO HD2 . . 4.200 2.909 2.653 3.090 . 0 0 "[ . 1 . 2]" 1
1141 1 52 PHE QD 1 53 PRO HD3 . . 4.450 3.945 3.525 4.172 . 0 0 "[ . 1 . 2]" 1
1142 1 52 PHE QD 1 65 ILE MD . . 4.510 3.032 2.592 3.438 . 0 0 "[ . 1 . 2]" 1
1143 1 52 PHE QD 1 65 ILE HG12 . . 5.170 2.441 2.093 2.801 . 0 0 "[ . 1 . 2]" 1
1144 1 52 PHE QD 1 65 ILE MG . . 4.760 2.901 2.248 3.323 . 0 0 "[ . 1 . 2]" 1
1145 1 52 PHE QE 1 65 ILE MD . . 3.750 2.159 1.906 2.793 . 0 0 "[ . 1 . 2]" 1
1146 1 52 PHE QE 1 65 ILE MG . . 4.310 2.789 2.223 3.222 . 0 0 "[ . 1 . 2]" 1
1147 1 52 PHE QE 1 81 ILE HA . . 5.500 5.492 5.440 5.505 0.005 17 0 "[ . 1 . 2]" 1
1148 1 52 PHE QE 1 81 ILE MD . . 5.290 3.463 3.040 4.037 . 0 0 "[ . 1 . 2]" 1
1149 1 52 PHE HZ 1 65 ILE MD . . 4.430 3.963 3.318 4.383 . 0 0 "[ . 1 . 2]" 1
1150 1 52 PHE HZ 1 65 ILE MG . . 5.020 3.809 3.494 4.172 . 0 0 "[ . 1 . 2]" 1
1151 1 52 PHE HZ 1 81 ILE MD . . 5.500 3.763 3.382 4.224 . 0 0 "[ . 1 . 2]" 1
1152 1 53 PRO HA 1 54 ASP H . . 2.950 2.334 2.267 2.395 . 0 0 "[ . 1 . 2]" 1
1153 1 53 PRO HA 1 54 ASP HB2 . . 4.780 4.169 4.111 4.296 . 0 0 "[ . 1 . 2]" 1
1154 1 53 PRO HA 1 54 ASP HB3 . . 5.050 4.999 4.852 5.054 0.004 20 0 "[ . 1 . 2]" 1
1155 1 53 PRO HA 1 62 GLN HA . . 5.180 4.808 4.642 4.950 . 0 0 "[ . 1 . 2]" 1
1156 1 53 PRO QB 1 54 ASP H . . 3.430 2.692 2.549 2.861 . 0 0 "[ . 1 . 2]" 1
1157 1 53 PRO QB 1 62 GLN H . . 4.690 4.296 4.071 4.447 . 0 0 "[ . 1 . 2]" 1
1158 1 53 PRO QB 1 62 GLN HA . . 3.130 2.197 1.995 2.363 . 0 0 "[ . 1 . 2]" 1
1159 1 53 PRO QB 1 62 GLN HE22 . . 3.870 3.005 2.630 3.296 . 0 0 "[ . 1 . 2]" 1
1160 1 53 PRO HB2 1 54 ASP H . . 4.060 2.790 2.625 2.988 . 0 0 "[ . 1 . 2]" 1
1161 1 53 PRO HB2 1 62 GLN HA . . 3.740 2.230 2.018 2.413 . 0 0 "[ . 1 . 2]" 1
1162 1 53 PRO HB3 1 54 ASP H . . 4.060 3.547 3.459 3.657 . 0 0 "[ . 1 . 2]" 1
1163 1 53 PRO HB3 1 62 GLN HA . . 3.740 3.321 3.106 3.484 . 0 0 "[ . 1 . 2]" 1
1164 1 53 PRO HD2 1 64 GLN H . . 5.500 5.334 5.041 5.504 0.004 6 0 "[ . 1 . 2]" 1
1165 1 53 PRO HD3 1 64 GLN H . . 5.120 4.755 4.492 4.899 . 0 0 "[ . 1 . 2]" 1
1166 1 53 PRO HG2 1 54 ASP H . . 4.680 4.549 4.432 4.681 0.001 20 0 "[ . 1 . 2]" 1
1167 1 53 PRO HG2 1 62 GLN HA . . 3.570 2.092 2.004 2.213 . 0 0 "[ . 1 . 2]" 1
1168 1 53 PRO HG2 1 62 GLN HB3 . . 3.610 3.554 3.436 3.615 0.005 11 0 "[ . 1 . 2]" 1
1169 1 53 PRO HG2 1 64 GLN H . . 4.740 4.450 4.250 4.619 . 0 0 "[ . 1 . 2]" 1
1170 1 53 PRO HG3 1 54 ASP H . . 5.500 5.213 5.097 5.346 . 0 0 "[ . 1 . 2]" 1
1171 1 53 PRO HG3 1 62 GLN HA . . 3.510 2.458 2.324 2.584 . 0 0 "[ . 1 . 2]" 1
1172 1 53 PRO HG3 1 64 GLN H . . 3.600 3.063 2.848 3.203 . 0 0 "[ . 1 . 2]" 1
1173 1 54 ASP H 1 54 ASP HB2 . . 3.440 2.631 2.346 2.769 . 0 0 "[ . 1 . 2]" 1
1174 1 54 ASP H 1 54 ASP HB3 . . 3.410 2.841 2.698 2.910 . 0 0 "[ . 1 . 2]" 1
1175 1 54 ASP H 1 55 LYS H . . 4.450 4.408 4.291 4.477 0.027 9 0 "[ . 1 . 2]" 1
1176 1 54 ASP H 1 57 ASP HB2 . . 4.560 3.937 3.545 4.562 0.002 6 0 "[ . 1 . 2]" 1
1177 1 54 ASP H 1 57 ASP HB3 . . 4.830 4.154 3.868 4.510 . 0 0 "[ . 1 . 2]" 1
1178 1 54 ASP H 1 60 GLN QB . . 4.830 3.955 3.217 4.707 . 0 0 "[ . 1 . 2]" 1
1179 1 54 ASP H 1 60 GLN QE . . 4.380 3.014 1.880 4.079 . 0 0 "[ . 1 . 2]" 1
1180 1 54 ASP H 1 62 GLN HA . . 4.990 4.830 4.573 4.983 . 0 0 "[ . 1 . 2]" 1
1181 1 54 ASP H 1 62 GLN HE22 . . 5.010 3.284 2.907 3.779 . 0 0 "[ . 1 . 2]" 1
1182 1 54 ASP HA 1 55 LYS H . . 2.830 2.156 2.137 2.208 . 0 0 "[ . 1 . 2]" 1
1183 1 54 ASP HA 1 55 LYS QG . . 5.210 3.939 3.317 4.966 . 0 0 "[ . 1 . 2]" 1
1184 1 54 ASP HB2 1 55 LYS H . . 4.730 4.393 4.257 4.542 . 0 0 "[ . 1 . 2]" 1
1185 1 54 ASP HB2 1 57 ASP H . . 5.170 4.324 4.156 4.584 . 0 0 "[ . 1 . 2]" 1
1186 1 54 ASP HB2 1 57 ASP HB2 . . 4.530 3.912 3.590 4.513 . 0 0 "[ . 1 . 2]" 1
1187 1 54 ASP HB2 1 60 GLN QE . . 4.250 3.786 2.260 4.250 . 0 0 "[ . 1 . 2]" 1
1188 1 54 ASP HB3 1 55 LYS H . . 4.400 3.962 3.734 4.216 . 0 0 "[ . 1 . 2]" 1
1189 1 54 ASP HB3 1 56 ASP H . . 4.200 3.648 2.955 4.088 . 0 0 "[ . 1 . 2]" 1
1190 1 54 ASP HB3 1 57 ASP H . . 4.210 2.594 2.400 2.913 . 0 0 "[ . 1 . 2]" 1
1191 1 54 ASP HB3 1 57 ASP HB2 . . 4.140 2.447 2.014 2.850 . 0 0 "[ . 1 . 2]" 1
1192 1 54 ASP HB3 1 58 GLY H . . 5.500 4.659 3.968 5.468 . 0 0 "[ . 1 . 2]" 1
1193 1 54 ASP HB3 1 60 GLN HE21 . . 4.700 3.828 2.339 4.553 . 0 0 "[ . 1 . 2]" 1
1194 1 54 ASP HB3 1 60 GLN QE . . 4.040 3.424 2.032 3.992 . 0 0 "[ . 1 . 2]" 1
1195 1 54 ASP HB3 1 60 GLN HE22 . . 4.700 3.923 2.231 4.681 . 0 0 "[ . 1 . 2]" 1
1196 1 55 LYS H 1 55 LYS QB . . 3.090 2.530 2.364 2.777 . 0 0 "[ . 1 . 2]" 1
1197 1 55 LYS H 1 55 LYS QD . . 3.890 3.382 1.902 3.881 . 0 0 "[ . 1 . 2]" 1
1198 1 55 LYS H 1 55 LYS QG . . 3.420 2.199 1.878 3.155 . 0 0 "[ . 1 . 2]" 1
1199 1 55 LYS H 1 56 ASP H . . 3.570 2.640 2.460 2.841 . 0 0 "[ . 1 . 2]" 1
1200 1 55 LYS H 1 57 ASP H . . 4.830 4.307 4.050 4.431 . 0 0 "[ . 1 . 2]" 1
1201 1 55 LYS HA 1 55 LYS QG . . 3.960 3.251 2.625 3.443 . 0 0 "[ . 1 . 2]" 1
1202 1 55 LYS HA 1 57 ASP H . . 4.320 4.170 3.775 4.309 . 0 0 "[ . 1 . 2]" 1
1203 1 55 LYS HA 1 62 GLN HE21 . . 4.230 3.498 3.267 4.070 . 0 0 "[ . 1 . 2]" 1
1204 1 55 LYS HA 1 62 GLN HE22 . . 3.840 3.329 2.807 3.795 . 0 0 "[ . 1 . 2]" 1
1205 1 55 LYS HA 1 62 GLN HG2 . . 5.160 3.661 3.396 3.925 . 0 0 "[ . 1 . 2]" 1
1206 1 55 LYS HA 1 62 GLN HG3 . . 5.060 2.531 2.119 2.999 . 0 0 "[ . 1 . 2]" 1
1207 1 55 LYS QB 1 55 LYS QE . . 3.720 3.100 2.036 3.677 . 0 0 "[ . 1 . 2]" 1
1208 1 55 LYS QB 1 56 ASP H . . 3.930 3.309 2.388 3.749 . 0 0 "[ . 1 . 2]" 1
1209 1 55 LYS QG 1 56 ASP H . . 4.190 2.509 1.891 3.645 . 0 0 "[ . 1 . 2]" 1
1210 1 55 LYS QG 1 56 ASP HA . . 5.500 3.926 3.142 5.538 0.038 9 0 "[ . 1 . 2]" 1
1211 1 56 ASP H 1 56 ASP HB2 . . 3.680 2.384 2.188 2.599 . 0 0 "[ . 1 . 2]" 1
1212 1 56 ASP H 1 56 ASP QB . . 3.080 2.278 2.152 2.541 . 0 0 "[ . 1 . 2]" 1
1213 1 56 ASP H 1 56 ASP HB3 . . 3.680 3.055 2.504 3.595 . 0 0 "[ . 1 . 2]" 1
1214 1 56 ASP H 1 57 ASP H . . 3.170 2.732 2.457 2.860 . 0 0 "[ . 1 . 2]" 1
1215 1 56 ASP H 1 57 ASP HB2 . . 4.840 4.737 4.452 4.844 0.004 9 0 "[ . 1 . 2]" 1
1216 1 56 ASP H 1 57 ASP HB3 . . 5.500 5.350 5.114 5.503 0.003 9 0 "[ . 1 . 2]" 1
1217 1 56 ASP HA 1 57 ASP H . . 3.560 3.525 3.430 3.544 . 0 0 "[ . 1 . 2]" 1
1218 1 56 ASP QB 1 57 ASP H . . 3.810 2.621 2.505 3.005 . 0 0 "[ . 1 . 2]" 1
1219 1 56 ASP HB2 1 57 ASP H . . 4.550 3.367 2.563 3.980 . 0 0 "[ . 1 . 2]" 1
1220 1 56 ASP HB3 1 57 ASP H . . 4.550 3.020 2.547 3.685 . 0 0 "[ . 1 . 2]" 1
1221 1 57 ASP H 1 57 ASP HB2 . . 3.440 2.227 2.180 2.370 . 0 0 "[ . 1 . 2]" 1
1222 1 57 ASP H 1 57 ASP HB3 . . 3.260 2.905 2.788 2.979 . 0 0 "[ . 1 . 2]" 1
1223 1 57 ASP H 1 58 GLY H . . 4.710 3.050 2.618 4.522 . 0 0 "[ . 1 . 2]" 1
1224 1 57 ASP H 1 62 GLN HE22 . . 4.500 4.190 3.584 4.502 0.002 9 0 "[ . 1 . 2]" 1
1225 1 57 ASP HB2 1 58 GLY H . . 4.600 3.356 3.254 3.700 . 0 0 "[ . 1 . 2]" 1
1226 1 57 ASP HB2 1 60 GLN H . . 4.760 4.681 4.469 4.775 0.015 6 0 "[ . 1 . 2]" 1
1227 1 57 ASP HB2 1 60 GLN QE . . 4.750 2.480 1.892 2.931 . 0 0 "[ . 1 . 2]" 1
1228 1 57 ASP HB3 1 58 GLY H . . 4.860 2.120 1.901 2.830 . 0 0 "[ . 1 . 2]" 1
1229 1 57 ASP HB3 1 60 GLN H . . 4.370 3.046 2.776 3.342 . 0 0 "[ . 1 . 2]" 1
1230 1 57 ASP HB3 1 60 GLN HE21 . . 4.830 2.415 1.954 3.759 . 0 0 "[ . 1 . 2]" 1
1231 1 57 ASP HB3 1 60 GLN QE . . 4.040 2.320 1.947 2.686 . 0 0 "[ . 1 . 2]" 1
1232 1 57 ASP HB3 1 60 GLN HE22 . . 4.830 3.717 2.371 4.220 . 0 0 "[ . 1 . 2]" 1
1233 1 57 ASP HB3 1 60 GLN QG . . 4.520 3.208 1.982 4.119 . 0 0 "[ . 1 . 2]" 1
1234 1 58 GLY H 1 59 ASN QB . . 5.500 4.995 3.564 5.342 . 0 0 "[ . 1 . 2]" 1
1235 1 58 GLY HA2 1 59 ASN HA . . 5.060 4.831 4.764 4.865 . 0 0 "[ . 1 . 2]" 1
1236 1 58 GLY HA2 1 60 GLN H . . 4.300 4.128 3.903 4.301 0.001 5 0 "[ . 1 . 2]" 1
1237 1 58 GLY HA2 1 62 GLN HE21 . . 4.460 3.040 2.662 3.358 . 0 0 "[ . 1 . 2]" 1
1238 1 58 GLY HA2 1 62 GLN HE22 . . 5.020 4.004 3.589 4.432 . 0 0 "[ . 1 . 2]" 1
1239 1 58 GLY HA2 1 62 GLN HG2 . . 4.880 4.155 3.751 4.407 . 0 0 "[ . 1 . 2]" 1
1240 1 58 GLY HA2 1 62 GLN HG3 . . 4.890 4.658 4.228 4.890 0.000 16 0 "[ . 1 . 2]" 1
1241 1 58 GLY HA3 1 59 ASN HA . . 4.520 4.294 4.284 4.358 . 0 0 "[ . 1 . 2]" 1
1242 1 58 GLY HA3 1 60 GLN H . . 4.540 4.263 4.009 4.549 0.009 6 0 "[ . 1 . 2]" 1
1243 1 59 ASN H 1 59 ASN QB . . 3.120 2.429 2.169 2.734 . 0 0 "[ . 1 . 2]" 1
1244 1 59 ASN H 1 59 ASN HD21 . . 4.930 3.365 1.807 4.444 . 0 0 "[ . 1 . 2]" 1
1245 1 59 ASN H 1 59 ASN QD . . 4.250 3.125 1.802 4.010 . 0 0 "[ . 1 . 2]" 1
1246 1 59 ASN H 1 59 ASN HD22 . . 4.930 4.051 3.465 4.622 . 0 0 "[ . 1 . 2]" 1
1247 1 59 ASN H 1 60 GLN H . . 3.050 2.918 2.557 3.009 . 0 0 "[ . 1 . 2]" 1
1248 1 59 ASN H 1 60 GLN QG . . 4.710 4.484 4.100 4.705 . 0 0 "[ . 1 . 2]" 1
1249 1 59 ASN HA 1 59 ASN HD21 . . 3.740 2.487 1.979 2.873 . 0 0 "[ . 1 . 2]" 1
1250 1 59 ASN HA 1 59 ASN QD . . 3.270 2.437 1.967 2.777 . 0 0 "[ . 1 . 2]" 1
1251 1 59 ASN HA 1 59 ASN HD22 . . 3.740 3.594 3.399 3.738 . 0 0 "[ . 1 . 2]" 1
1252 1 59 ASN QB 1 60 GLN H . . 3.780 2.728 2.527 2.902 . 0 0 "[ . 1 . 2]" 1
1253 1 60 GLN H 1 60 GLN HB2 . . 3.740 2.787 2.421 3.682 . 0 0 "[ . 1 . 2]" 1
1254 1 60 GLN H 1 60 GLN QB . . 3.260 2.494 2.386 2.777 . 0 0 "[ . 1 . 2]" 1
1255 1 60 GLN H 1 60 GLN HB3 . . 3.740 3.387 2.446 3.672 . 0 0 "[ . 1 . 2]" 1
1256 1 60 GLN H 1 60 GLN HG2 . . 3.770 3.288 1.976 3.759 . 0 0 "[ . 1 . 2]" 1
1257 1 60 GLN H 1 60 GLN HG3 . . 3.770 2.627 2.285 3.518 . 0 0 "[ . 1 . 2]" 1
1258 1 60 GLN H 1 61 PRO QD . . 5.080 4.375 4.369 4.379 . 0 0 "[ . 1 . 2]" 1
1259 1 60 GLN H 1 62 GLN HE21 . . 4.390 3.977 3.550 4.188 . 0 0 "[ . 1 . 2]" 1
1260 1 60 GLN H 1 62 GLN HE22 . . 4.740 4.009 3.545 4.543 . 0 0 "[ . 1 . 2]" 1
1261 1 60 GLN HA 1 60 GLN HG2 . . 4.210 2.954 2.519 3.835 . 0 0 "[ . 1 . 2]" 1
1262 1 60 GLN HA 1 60 GLN QG . . 3.680 2.693 2.403 3.339 . 0 0 "[ . 1 . 2]" 1
1263 1 60 GLN HA 1 60 GLN HG3 . . 4.210 3.201 2.786 3.916 . 0 0 "[ . 1 . 2]" 1
1264 1 60 GLN HA 1 61 PRO HD2 . . 3.380 2.369 2.322 2.422 . 0 0 "[ . 1 . 2]" 1
1265 1 60 GLN HA 1 61 PRO HD3 . . 3.380 2.287 2.272 2.307 . 0 0 "[ . 1 . 2]" 1
1266 1 60 GLN HA 1 61 PRO HG2 . . 4.860 4.487 4.448 4.530 . 0 0 "[ . 1 . 2]" 1
1267 1 60 GLN HA 1 61 PRO HG3 . . 4.860 4.452 4.425 4.484 . 0 0 "[ . 1 . 2]" 1
1268 1 60 GLN QB 1 61 PRO QD . . 3.320 2.026 1.957 2.124 . 0 0 "[ . 1 . 2]" 1
1269 1 60 GLN QB 1 62 GLN HE21 . . 4.530 3.902 3.612 4.530 0.000 5 0 "[ . 1 . 2]" 1
1270 1 60 GLN QB 1 62 GLN HE22 . . 4.230 3.227 2.795 4.156 . 0 0 "[ . 1 . 2]" 1
1271 1 60 GLN HB2 1 62 GLN HE22 . . 4.930 3.356 2.847 4.617 . 0 0 "[ . 1 . 2]" 1
1272 1 60 GLN HB3 1 62 GLN HE22 . . 4.930 4.406 3.990 4.895 . 0 0 "[ . 1 . 2]" 1
1273 1 60 GLN QE 1 60 GLN QG . . 3.070 2.415 2.076 2.579 . 0 0 "[ . 1 . 2]" 1
1274 1 60 GLN QG 1 61 PRO QD . . 4.060 3.280 3.045 3.748 . 0 0 "[ . 1 . 2]" 1
1275 1 61 PRO HA 1 62 GLN H . . 2.910 2.161 2.151 2.177 . 0 0 "[ . 1 . 2]" 1
1276 1 61 PRO HA 1 62 GLN HA . . 5.490 4.389 4.381 4.417 . 0 0 "[ . 1 . 2]" 1
1277 1 61 PRO HA 1 62 GLN HG2 . . 4.520 3.891 3.718 4.057 . 0 0 "[ . 1 . 2]" 1
1278 1 61 PRO HA 1 63 ASP H . . 4.240 3.562 3.417 3.734 . 0 0 "[ . 1 . 2]" 1
1279 1 61 PRO HA 1 64 GLN H . . 5.040 4.286 4.173 4.383 . 0 0 "[ . 1 . 2]" 1
1280 1 61 PRO HB2 1 63 ASP H . . 3.490 3.105 2.981 3.290 . 0 0 "[ . 1 . 2]" 1
1281 1 61 PRO HB2 1 64 GLN HB2 . . 4.230 2.032 2.002 2.107 . 0 0 "[ . 1 . 2]" 1
1282 1 61 PRO HB2 1 64 GLN HB3 . . 3.690 3.655 3.571 3.692 0.002 13 0 "[ . 1 . 2]" 1
1283 1 61 PRO HB3 1 62 GLN H . . 4.540 3.976 3.886 4.159 . 0 0 "[ . 1 . 2]" 1
1284 1 61 PRO HB3 1 63 ASP H . . 4.390 4.225 4.134 4.383 . 0 0 "[ . 1 . 2]" 1
1285 1 61 PRO HB3 1 64 GLN H . . 4.170 4.032 3.954 4.170 0.000 8 0 "[ . 1 . 2]" 1
1286 1 61 PRO HB3 1 64 GLN HG3 . . 3.850 2.840 2.617 3.190 . 0 0 "[ . 1 . 2]" 1
1287 1 61 PRO QG 1 64 GLN HB3 . . 3.750 3.146 3.062 3.362 . 0 0 "[ . 1 . 2]" 1
1288 1 62 GLN H 1 62 GLN HB2 . . 3.240 2.532 2.436 2.597 . 0 0 "[ . 1 . 2]" 1
1289 1 62 GLN H 1 62 GLN HB3 . . 3.650 3.652 3.616 3.666 0.016 2 0 "[ . 1 . 2]" 1
1290 1 62 GLN H 1 62 GLN HE21 . . 4.690 3.659 3.281 3.925 . 0 0 "[ . 1 . 2]" 1
1291 1 62 GLN H 1 62 GLN HG2 . . 3.590 2.495 2.161 2.704 . 0 0 "[ . 1 . 2]" 1
1292 1 62 GLN H 1 62 GLN HG3 . . 4.290 3.919 3.670 4.059 . 0 0 "[ . 1 . 2]" 1
1293 1 62 GLN H 1 63 ASP H . . 3.490 2.244 2.159 2.430 . 0 0 "[ . 1 . 2]" 1
1294 1 62 GLN H 1 64 GLN H . . 4.390 3.785 3.645 3.970 . 0 0 "[ . 1 . 2]" 1
1295 1 62 GLN HA 1 62 GLN HE21 . . 5.050 3.879 3.592 4.188 . 0 0 "[ . 1 . 2]" 1
1296 1 62 GLN HA 1 62 GLN HE22 . . 5.100 3.832 3.584 4.028 . 0 0 "[ . 1 . 2]" 1
1297 1 62 GLN HA 1 62 GLN HG2 . . 4.170 3.310 3.173 3.400 . 0 0 "[ . 1 . 2]" 1
1298 1 62 GLN HA 1 62 GLN HG3 . . 3.770 3.702 3.633 3.771 0.001 6 0 "[ . 1 . 2]" 1
1299 1 62 GLN HA 1 64 GLN H . . 4.370 3.872 3.723 3.967 . 0 0 "[ . 1 . 2]" 1
1300 1 62 GLN HB2 1 62 GLN HE21 . . 4.570 4.336 4.208 4.436 . 0 0 "[ . 1 . 2]" 1
1301 1 62 GLN HB2 1 63 ASP H . . 5.230 3.186 2.979 3.377 . 0 0 "[ . 1 . 2]" 1
1302 1 62 GLN HB3 1 63 ASP H . . 4.900 4.124 3.993 4.227 . 0 0 "[ . 1 . 2]" 1
1303 1 62 GLN HE21 1 62 GLN HG2 . . 3.500 2.143 2.117 2.192 . 0 0 "[ . 1 . 2]" 1
1304 1 62 GLN HE22 1 62 GLN HG2 . . 3.860 3.446 3.436 3.466 . 0 0 "[ . 1 . 2]" 1
1305 1 63 ASP H 1 63 ASP HB2 . . 4.090 3.662 3.623 3.707 . 0 0 "[ . 1 . 2]" 1
1306 1 63 ASP H 1 64 GLN H . . 3.180 2.235 2.139 2.374 . 0 0 "[ . 1 . 2]" 1
1307 1 63 ASP H 1 64 GLN HG2 . . 5.010 4.067 3.801 4.356 . 0 0 "[ . 1 . 2]" 1
1308 1 63 ASP H 1 64 GLN HG3 . . 5.470 4.981 4.756 5.203 . 0 0 "[ . 1 . 2]" 1
1309 1 63 ASP HB2 1 64 GLN H . . 4.940 4.338 4.232 4.422 . 0 0 "[ . 1 . 2]" 1
1310 1 64 GLN H 1 64 GLN HB2 . . 3.210 2.393 2.306 2.468 . 0 0 "[ . 1 . 2]" 1
1311 1 64 GLN H 1 64 GLN HB3 . . 3.710 3.619 3.571 3.665 . 0 0 "[ . 1 . 2]" 1
1312 1 64 GLN H 1 64 GLN HG2 . . 3.730 2.819 2.594 2.974 . 0 0 "[ . 1 . 2]" 1
1313 1 64 GLN H 1 64 GLN HG3 . . 3.740 3.669 3.518 3.746 0.006 6 0 "[ . 1 . 2]" 1
1314 1 64 GLN H 1 65 ILE H . . 4.660 4.510 4.449 4.549 . 0 0 "[ . 1 . 2]" 1
1315 1 64 GLN HA 1 64 GLN HE21 . . 4.770 2.044 1.898 3.157 . 0 0 "[ . 1 . 2]" 1
1316 1 64 GLN HA 1 64 GLN HE22 . . 4.730 3.482 3.400 3.966 . 0 0 "[ . 1 . 2]" 1
1317 1 64 GLN HA 1 64 GLN HG3 . . 4.250 3.735 3.694 3.774 . 0 0 "[ . 1 . 2]" 1
1318 1 64 GLN HA 1 65 ILE H . . 2.910 2.171 2.150 2.231 . 0 0 "[ . 1 . 2]" 1
1319 1 64 GLN HA 1 65 ILE HA . . 5.010 4.387 4.379 4.408 . 0 0 "[ . 1 . 2]" 1
1320 1 64 GLN HA 1 65 ILE HB . . 4.950 4.726 4.577 4.943 . 0 0 "[ . 1 . 2]" 1
1321 1 64 GLN HB2 1 64 GLN HE21 . . 4.680 4.049 3.981 4.454 . 0 0 "[ . 1 . 2]" 1
1322 1 64 GLN HB2 1 64 GLN HE22 . . 5.360 5.051 5.013 5.251 . 0 0 "[ . 1 . 2]" 1
1323 1 64 GLN HB2 1 65 ILE H . . 4.250 4.199 4.073 4.250 0.000 1 0 "[ . 1 . 2]" 1
1324 1 64 GLN HB3 1 64 GLN HE21 . . 4.620 3.307 3.163 4.003 . 0 0 "[ . 1 . 2]" 1
1325 1 64 GLN HB3 1 64 GLN HE22 . . 4.950 3.901 3.819 4.276 . 0 0 "[ . 1 . 2]" 1
1326 1 64 GLN HB3 1 65 ILE H . . 3.810 3.173 2.915 3.302 . 0 0 "[ . 1 . 2]" 1
1327 1 64 GLN HE21 1 64 GLN HG2 . . 3.340 2.364 2.121 2.419 . 0 0 "[ . 1 . 2]" 1
1328 1 64 GLN HE22 1 64 GLN HG2 . . 3.920 3.534 3.438 3.557 . 0 0 "[ . 1 . 2]" 1
1329 1 64 GLN HG2 1 65 ILE H . . 4.780 4.684 4.560 4.781 0.001 20 0 "[ . 1 . 2]" 1
1330 1 65 ILE H 1 65 ILE HB . . 3.390 2.690 2.566 2.891 . 0 0 "[ . 1 . 2]" 1
1331 1 65 ILE H 1 65 ILE MD . . 4.290 3.759 3.539 3.992 . 0 0 "[ . 1 . 2]" 1
1332 1 65 ILE H 1 65 ILE HG12 . . 4.880 3.743 3.418 4.015 . 0 0 "[ . 1 . 2]" 1
1333 1 65 ILE H 1 65 ILE HG13 . . 3.870 2.475 2.165 2.730 . 0 0 "[ . 1 . 2]" 1
1334 1 65 ILE H 1 65 ILE MG . . 3.960 3.863 3.819 3.910 . 0 0 "[ . 1 . 2]" 1
1335 1 65 ILE H 1 66 THR H . . 4.610 4.353 4.203 4.526 . 0 0 "[ . 1 . 2]" 1
1336 1 65 ILE H 1 67 ILE MD . . 5.500 5.384 5.084 5.483 . 0 0 "[ . 1 . 2]" 1
1337 1 65 ILE HA 1 65 ILE MD . . 4.250 3.897 3.824 3.967 . 0 0 "[ . 1 . 2]" 1
1338 1 65 ILE HA 1 65 ILE HG12 . . 3.700 2.691 2.527 2.850 . 0 0 "[ . 1 . 2]" 1
1339 1 65 ILE HA 1 65 ILE HG13 . . 4.050 3.058 2.851 3.265 . 0 0 "[ . 1 . 2]" 1
1340 1 65 ILE HA 1 65 ILE MG . . 3.530 2.230 2.137 2.367 . 0 0 "[ . 1 . 2]" 1
1341 1 65 ILE HA 1 66 THR H . . 2.870 2.150 2.138 2.225 . 0 0 "[ . 1 . 2]" 1
1342 1 65 ILE HA 1 66 THR HA . . 5.010 4.387 4.371 4.419 . 0 0 "[ . 1 . 2]" 1
1343 1 65 ILE HB 1 65 ILE MD . . 3.470 2.333 2.198 2.510 . 0 0 "[ . 1 . 2]" 1
1344 1 65 ILE HB 1 66 THR H . . 4.920 4.141 3.881 4.277 . 0 0 "[ . 1 . 2]" 1
1345 1 65 ILE MD 1 65 ILE MG . . 3.070 2.047 1.915 2.220 . 0 0 "[ . 1 . 2]" 1
1346 1 65 ILE MD 1 81 ILE HB . . 4.660 3.538 3.318 3.735 . 0 0 "[ . 1 . 2]" 1
1347 1 65 ILE MD 1 81 ILE MD . . 3.580 2.161 1.906 2.559 . 0 0 "[ . 1 . 2]" 1
1348 1 65 ILE MD 1 81 ILE MG . . 3.810 1.840 1.702 2.017 . 0 0 "[ . 1 . 2]" 1
1349 1 65 ILE HG13 1 65 ILE MG . . 3.490 3.188 3.166 3.198 . 0 0 "[ . 1 . 2]" 1
1350 1 65 ILE MG 1 66 THR H . . 3.380 2.650 2.080 2.959 . 0 0 "[ . 1 . 2]" 1
1351 1 65 ILE MG 1 67 ILE MD . . 4.170 2.735 2.289 3.174 . 0 0 "[ . 1 . 2]" 1
1352 1 65 ILE MG 1 67 ILE HG12 . . 4.580 3.025 2.790 3.265 . 0 0 "[ . 1 . 2]" 1
1353 1 65 ILE MG 1 67 ILE HG13 . . 3.870 2.598 2.227 3.019 . 0 0 "[ . 1 . 2]" 1
1354 1 65 ILE MG 1 81 ILE MD . . 3.400 2.319 2.020 2.576 . 0 0 "[ . 1 . 2]" 1
1355 1 66 THR H 1 66 THR HB . . 3.570 3.016 2.797 3.531 . 0 0 "[ . 1 . 2]" 1
1356 1 66 THR H 1 66 THR MG . . 3.940 3.573 2.890 3.853 . 0 0 "[ . 1 . 2]" 1
1357 1 66 THR H 1 67 ILE H . . 4.830 4.530 4.372 4.602 . 0 0 "[ . 1 . 2]" 1
1358 1 66 THR H 1 67 ILE MD . . 5.500 5.341 5.152 5.482 . 0 0 "[ . 1 . 2]" 1
1359 1 66 THR H 1 67 ILE HG12 . . 5.500 5.280 5.082 5.428 . 0 0 "[ . 1 . 2]" 1
1360 1 66 THR HA 1 66 THR MG . . 3.370 2.108 2.029 2.211 . 0 0 "[ . 1 . 2]" 1
1361 1 66 THR HA 1 67 ILE H . . 3.030 2.175 2.143 2.223 . 0 0 "[ . 1 . 2]" 1
1362 1 66 THR HB 1 67 ILE H . . 4.240 3.686 3.043 3.988 . 0 0 "[ . 1 . 2]" 1
1363 1 66 THR HB 1 67 ILE HG13 . . 5.500 5.000 4.891 5.161 . 0 0 "[ . 1 . 2]" 1
1364 1 66 THR MG 1 67 ILE H . . 3.670 2.840 2.428 3.593 . 0 0 "[ . 1 . 2]" 1
1365 1 67 ILE H 1 67 ILE HB . . 3.530 2.835 2.750 2.915 . 0 0 "[ . 1 . 2]" 1
1366 1 67 ILE H 1 67 ILE MD . . 4.590 4.147 3.909 4.408 . 0 0 "[ . 1 . 2]" 1
1367 1 67 ILE H 1 67 ILE HG12 . . 4.670 4.135 4.035 4.210 . 0 0 "[ . 1 . 2]" 1
1368 1 67 ILE H 1 67 ILE HG13 . . 3.610 3.008 2.805 3.183 . 0 0 "[ . 1 . 2]" 1
1369 1 67 ILE H 1 67 ILE MG . . 4.140 3.921 3.895 3.950 . 0 0 "[ . 1 . 2]" 1
1370 1 67 ILE H 1 68 THR H . . 4.890 4.165 4.074 4.285 . 0 0 "[ . 1 . 2]" 1
1371 1 67 ILE HA 1 67 ILE MD . . 4.060 3.860 3.791 3.895 . 0 0 "[ . 1 . 2]" 1
1372 1 67 ILE HA 1 67 ILE HG12 . . 4.230 2.606 2.466 2.697 . 0 0 "[ . 1 . 2]" 1
1373 1 67 ILE HA 1 67 ILE MG . . 3.610 2.349 2.261 2.437 . 0 0 "[ . 1 . 2]" 1
1374 1 67 ILE HA 1 68 THR H . . 3.040 2.143 2.138 2.158 . 0 0 "[ . 1 . 2]" 1
1375 1 67 ILE HA 1 74 THR MG . . 5.310 4.743 4.376 5.049 . 0 0 "[ . 1 . 2]" 1
1376 1 67 ILE HB 1 67 ILE MD . . 3.240 2.357 2.277 2.433 . 0 0 "[ . 1 . 2]" 1
1377 1 67 ILE HB 1 68 THR H . . 4.800 4.221 4.111 4.309 . 0 0 "[ . 1 . 2]" 1
1378 1 67 ILE HB 1 74 THR HA . . 4.930 4.768 4.601 4.932 0.002 20 0 "[ . 1 . 2]" 1
1379 1 67 ILE HB 1 74 THR HB . . 3.750 3.544 3.316 3.696 . 0 0 "[ . 1 . 2]" 1
1380 1 67 ILE HB 1 74 THR MG . . 3.860 3.672 3.476 3.858 . 0 0 "[ . 1 . 2]" 1
1381 1 67 ILE MD 1 67 ILE MG . . 3.170 2.054 1.911 2.241 . 0 0 "[ . 1 . 2]" 1
1382 1 67 ILE MD 1 68 THR H . . 5.500 5.220 5.133 5.306 . 0 0 "[ . 1 . 2]" 1
1383 1 67 ILE MD 1 77 ALA MB . . 3.180 3.007 2.663 3.180 . 0 0 "[ . 1 . 2]" 1
1384 1 67 ILE MD 1 78 ARG H . . 3.670 3.393 3.171 3.649 . 0 0 "[ . 1 . 2]" 1
1385 1 67 ILE MD 1 78 ARG HA . . 3.430 2.587 2.433 2.754 . 0 0 "[ . 1 . 2]" 1
1386 1 67 ILE MD 1 78 ARG HB2 . . 4.130 2.688 2.450 2.877 . 0 0 "[ . 1 . 2]" 1
1387 1 67 ILE MD 1 78 ARG HB3 . . 4.400 2.554 2.274 2.857 . 0 0 "[ . 1 . 2]" 1
1388 1 67 ILE MD 1 79 ASP H . . 5.500 5.042 4.899 5.228 . 0 0 "[ . 1 . 2]" 1
1389 1 67 ILE MD 1 81 ILE H . . 5.500 4.960 4.793 5.135 . 0 0 "[ . 1 . 2]" 1
1390 1 67 ILE HG12 1 67 ILE MG . . 3.140 2.309 2.164 2.474 . 0 0 "[ . 1 . 2]" 1
1391 1 67 ILE HG12 1 68 THR H . . 4.570 4.504 4.420 4.571 0.001 12 0 "[ . 1 . 2]" 1
1392 1 67 ILE HG13 1 67 ILE MG . . 3.680 3.189 3.174 3.202 . 0 0 "[ . 1 . 2]" 1
1393 1 67 ILE HG13 1 68 THR H . . 5.340 5.035 4.925 5.139 . 0 0 "[ . 1 . 2]" 1
1394 1 67 ILE HG13 1 81 ILE MD . . 4.060 3.755 3.600 3.937 . 0 0 "[ . 1 . 2]" 1
1395 1 67 ILE MG 1 68 THR H . . 3.560 2.627 2.286 2.877 . 0 0 "[ . 1 . 2]" 1
1396 1 67 ILE MG 1 69 GLY H . . 4.850 4.757 4.629 4.850 . 15 0 "[ . 1 . 2]" 1
1397 1 67 ILE MG 1 74 THR H . . 4.960 4.770 4.401 4.962 0.002 13 0 "[ . 1 . 2]" 1
1398 1 67 ILE MG 1 74 THR HA . . 3.290 2.728 2.515 2.872 . 0 0 "[ . 1 . 2]" 1
1399 1 67 ILE MG 1 74 THR HB . . 3.360 2.715 2.187 3.145 . 0 0 "[ . 1 . 2]" 1
1400 1 67 ILE MG 1 74 THR MG . . 3.220 2.382 2.070 2.758 . 0 0 "[ . 1 . 2]" 1
1401 1 67 ILE MG 1 77 ALA H . . 5.500 4.727 4.540 4.836 . 0 0 "[ . 1 . 2]" 1
1402 1 67 ILE MG 1 77 ALA MB . . 3.190 2.869 2.646 3.079 . 0 0 "[ . 1 . 2]" 1
1403 1 68 THR H 1 68 THR HB . . 3.640 2.739 2.658 2.880 . 0 0 "[ . 1 . 2]" 1
1404 1 68 THR H 1 68 THR MG . . 4.170 3.857 3.828 3.888 . 0 0 "[ . 1 . 2]" 1
1405 1 68 THR H 1 74 THR MG . . 4.560 4.146 3.750 4.442 . 0 0 "[ . 1 . 2]" 1
1406 1 68 THR HA 1 68 THR MG . . 3.300 2.233 2.115 2.320 . 0 0 "[ . 1 . 2]" 1
1407 1 68 THR HA 1 69 GLY H . . 2.840 2.299 2.244 2.343 . 0 0 "[ . 1 . 2]" 1
1408 1 68 THR HA 1 74 THR MG . . 3.840 3.250 2.884 3.417 . 0 0 "[ . 1 . 2]" 1
1409 1 68 THR HB 1 69 GLY H . . 3.770 3.614 3.454 3.706 . 0 0 "[ . 1 . 2]" 1
1410 1 68 THR MG 1 69 GLY H . . 3.050 2.097 1.943 2.301 . 0 0 "[ . 1 . 2]" 1
1411 1 68 THR MG 1 69 GLY HA2 . . 4.620 3.210 3.026 3.495 . 0 0 "[ . 1 . 2]" 1
1412 1 68 THR MG 1 69 GLY HA3 . . 4.650 3.998 3.827 4.253 . 0 0 "[ . 1 . 2]" 1
1413 1 69 GLY H 1 74 THR MG . . 3.570 3.095 2.865 3.320 . 0 0 "[ . 1 . 2]" 1
1414 1 69 GLY HA2 1 70 TYR H . . 3.400 2.583 2.446 2.795 . 0 0 "[ . 1 . 2]" 1
1415 1 69 GLY HA2 1 74 THR MG . . 4.230 3.673 3.441 3.988 . 0 0 "[ . 1 . 2]" 1
1416 1 69 GLY HA3 1 70 TYR H . . 3.190 2.544 2.354 2.685 . 0 0 "[ . 1 . 2]" 1
1417 1 69 GLY HA3 1 73 ASN HB2 . . 5.130 4.109 3.777 4.369 . 0 0 "[ . 1 . 2]" 1
1418 1 69 GLY HA3 1 74 THR MG . . 4.170 2.508 2.200 2.904 . 0 0 "[ . 1 . 2]" 1
1419 1 70 TYR H 1 70 TYR HB2 . . 4.030 2.401 2.231 2.577 . 0 0 "[ . 1 . 2]" 1
1420 1 70 TYR H 1 70 TYR QB . . 3.350 2.365 2.208 2.523 . 0 0 "[ . 1 . 2]" 1
1421 1 70 TYR H 1 70 TYR HB3 . . 4.030 3.571 3.523 3.600 . 0 0 "[ . 1 . 2]" 1
1422 1 70 TYR H 1 70 TYR QD . . 3.810 2.678 1.941 3.386 . 0 0 "[ . 1 . 2]" 1
1423 1 70 TYR H 1 71 GLU H . . 4.870 4.511 4.468 4.596 . 0 0 "[ . 1 . 2]" 1
1424 1 70 TYR H 1 73 ASN H . . 4.560 4.464 4.344 4.557 . 0 0 "[ . 1 . 2]" 1
1425 1 70 TYR H 1 73 ASN HB2 . . 3.180 2.995 2.801 3.180 . 2 0 "[ . 1 . 2]" 1
1426 1 70 TYR H 1 73 ASN HD21 . . 5.430 3.951 2.890 4.449 . 0 0 "[ . 1 . 2]" 1
1427 1 70 TYR H 1 73 ASN QD . . 4.600 3.817 2.850 4.228 . 0 0 "[ . 1 . 2]" 1
1428 1 70 TYR H 1 73 ASN HD22 . . 5.430 5.116 4.354 5.424 . 0 0 "[ . 1 . 2]" 1
1429 1 70 TYR H 1 74 THR H . . 4.910 4.191 3.717 4.785 . 0 0 "[ . 1 . 2]" 1
1430 1 70 TYR H 1 74 THR MG . . 4.140 3.480 3.133 4.031 . 0 0 "[ . 1 . 2]" 1
1431 1 70 TYR HA 1 70 TYR QD . . 3.460 2.533 1.996 3.089 . 0 0 "[ . 1 . 2]" 1
1432 1 70 TYR HA 1 71 GLU H . . 3.320 2.144 2.137 2.187 . 0 0 "[ . 1 . 2]" 1
1433 1 70 TYR HA 1 73 ASN H . . 5.350 4.596 4.179 4.768 . 0 0 "[ . 1 . 2]" 1
1434 1 70 TYR HA 1 74 THR MG . . 5.500 4.087 3.922 4.369 . 0 0 "[ . 1 . 2]" 1
1435 1 70 TYR QB 1 71 GLU H . . 3.950 3.299 3.000 3.380 . 0 0 "[ . 1 . 2]" 1
1436 1 70 TYR QB 1 72 LYS H . . 3.980 2.591 2.388 2.864 . 0 0 "[ . 1 . 2]" 1
1437 1 70 TYR QB 1 73 ASN H . . 3.750 2.317 2.180 2.466 . 0 0 "[ . 1 . 2]" 1
1438 1 70 TYR QB 1 73 ASN HB2 . . 4.370 2.130 1.979 2.546 . 0 0 "[ . 1 . 2]" 1
1439 1 70 TYR QB 1 73 ASN QD . . 4.090 3.028 2.045 3.529 . 0 0 "[ . 1 . 2]" 1
1440 1 70 TYR HB2 1 71 GLU H . . 4.510 4.344 4.130 4.452 . 0 0 "[ . 1 . 2]" 1
1441 1 70 TYR HB2 1 72 LYS H . . 4.520 3.697 3.280 4.393 . 0 0 "[ . 1 . 2]" 1
1442 1 70 TYR HB2 1 73 ASN H . . 4.590 2.540 2.260 2.872 . 0 0 "[ . 1 . 2]" 1
1443 1 70 TYR HB3 1 71 GLU H . . 4.510 3.418 3.081 3.516 . 0 0 "[ . 1 . 2]" 1
1444 1 70 TYR HB3 1 72 LYS H . . 4.520 2.652 2.416 2.902 . 0 0 "[ . 1 . 2]" 1
1445 1 70 TYR HB3 1 73 ASN H . . 4.590 2.783 2.349 3.124 . 0 0 "[ . 1 . 2]" 1
1446 1 70 TYR QD 1 71 GLU H . . 4.330 3.921 3.126 4.316 . 0 0 "[ . 1 . 2]" 1
1447 1 70 TYR QD 1 73 ASN H . . 4.860 4.249 3.929 4.580 . 0 0 "[ . 1 . 2]" 1
1448 1 70 TYR QD 1 73 ASN HB2 . . 4.880 3.555 3.061 4.081 . 0 0 "[ . 1 . 2]" 1
1449 1 71 GLU H 1 71 GLU HB2 . . 3.470 2.612 2.513 2.730 . 0 0 "[ . 1 . 2]" 1
1450 1 71 GLU H 1 71 GLU HB3 . . 3.490 2.513 2.396 2.625 . 0 0 "[ . 1 . 2]" 1
1451 1 71 GLU H 1 71 GLU HG2 . . 4.550 4.443 4.347 4.531 . 0 0 "[ . 1 . 2]" 1
1452 1 71 GLU H 1 71 GLU HG3 . . 4.650 4.502 4.432 4.567 . 0 0 "[ . 1 . 2]" 1
1453 1 71 GLU H 1 72 LYS H . . 4.000 2.940 2.773 3.042 . 0 0 "[ . 1 . 2]" 1
1454 1 71 GLU H 1 74 THR HG1 . . 4.920 4.104 3.665 4.600 . 0 0 "[ . 1 . 2]" 1
1455 1 71 GLU HA 1 71 GLU HG2 . . 3.870 3.275 3.211 3.366 . 0 0 "[ . 1 . 2]" 1
1456 1 71 GLU HA 1 71 GLU HG3 . . 3.600 2.713 2.555 2.866 . 0 0 "[ . 1 . 2]" 1
1457 1 71 GLU HA 1 74 THR H . . 4.360 4.104 3.671 4.307 . 0 0 "[ . 1 . 2]" 1
1458 1 71 GLU HA 1 74 THR HB . . 4.980 4.508 4.274 4.720 . 0 0 "[ . 1 . 2]" 1
1459 1 71 GLU HA 1 74 THR HG1 . . 3.500 2.284 2.010 2.784 . 0 0 "[ . 1 . 2]" 1
1460 1 71 GLU HA 1 74 THR MG . . 3.500 3.065 2.648 3.498 . 0 0 "[ . 1 . 2]" 1
1461 1 71 GLU HA 1 75 GLU H . . 4.510 4.346 4.075 4.521 0.011 13 0 "[ . 1 . 2]" 1
1462 1 71 GLU HB2 1 72 LYS H . . 4.220 4.100 3.905 4.223 0.003 20 0 "[ . 1 . 2]" 1
1463 1 71 GLU HB3 1 72 LYS H . . 3.360 2.871 2.537 3.078 . 0 0 "[ . 1 . 2]" 1
1464 1 71 GLU HG2 1 72 LYS HA . . 3.820 3.481 3.273 3.798 . 0 0 "[ . 1 . 2]" 1
1465 1 71 GLU HG2 1 75 GLU HG2 . . 5.080 4.558 3.904 4.985 . 0 0 "[ . 1 . 2]" 1
1466 1 71 GLU HG3 1 72 LYS H . . 4.840 4.670 4.517 4.794 . 0 0 "[ . 1 . 2]" 1
1467 1 71 GLU HG3 1 72 LYS HA . . 4.920 4.849 4.722 4.920 0.000 13 0 "[ . 1 . 2]" 1
1468 1 71 GLU HG3 1 74 THR HG1 . . 5.030 4.349 3.732 4.690 . 0 0 "[ . 1 . 2]" 1
1469 1 72 LYS H 1 72 LYS HB2 . . 3.710 2.476 2.181 3.590 . 0 0 "[ . 1 . 2]" 1
1470 1 72 LYS H 1 72 LYS QB . . 3.100 2.362 2.160 2.951 . 0 0 "[ . 1 . 2]" 1
1471 1 72 LYS H 1 72 LYS HB3 . . 3.710 3.500 2.444 3.617 . 0 0 "[ . 1 . 2]" 1
1472 1 72 LYS H 1 72 LYS HG2 . . 3.820 2.820 1.895 3.821 0.001 15 0 "[ . 1 . 2]" 1
1473 1 72 LYS H 1 72 LYS QG . . 3.300 2.569 1.885 3.095 . 0 0 "[ . 1 . 2]" 1
1474 1 72 LYS H 1 72 LYS HG3 . . 3.820 3.436 2.361 3.818 . 0 0 "[ . 1 . 2]" 1
1475 1 72 LYS H 1 73 ASN H . . 3.410 2.686 2.457 2.817 . 0 0 "[ . 1 . 2]" 1
1476 1 72 LYS H 1 74 THR H . . 4.760 3.917 3.616 4.293 . 0 0 "[ . 1 . 2]" 1
1477 1 72 LYS H 1 74 THR HG1 . . 5.020 3.870 3.666 4.407 . 0 0 "[ . 1 . 2]" 1
1478 1 72 LYS HA 1 72 LYS QD . . 3.750 2.652 2.067 3.750 0.000 9 0 "[ . 1 . 2]" 1
1479 1 72 LYS HA 1 72 LYS QG . . 3.580 2.675 2.221 3.440 . 0 0 "[ . 1 . 2]" 1
1480 1 72 LYS HA 1 74 THR H . . 5.070 4.456 3.979 4.992 . 0 0 "[ . 1 . 2]" 1
1481 1 72 LYS HA 1 75 GLU H . . 4.260 3.806 3.523 4.036 . 0 0 "[ . 1 . 2]" 1
1482 1 72 LYS HA 1 75 GLU HB2 . . 3.680 3.410 3.029 3.682 0.002 16 0 "[ . 1 . 2]" 1
1483 1 72 LYS HA 1 75 GLU HG2 . . 4.610 4.499 4.055 4.619 0.009 13 0 "[ . 1 . 2]" 1
1484 1 72 LYS HA 1 75 GLU HG3 . . 3.990 3.284 2.795 3.902 . 0 0 "[ . 1 . 2]" 1
1485 1 72 LYS HA 1 76 ALA H . . 4.660 4.560 4.318 4.663 0.003 6 0 "[ . 1 . 2]" 1
1486 1 72 LYS QB 1 74 THR H . . 5.110 4.516 4.246 5.111 0.001 14 0 "[ . 1 . 2]" 1
1487 1 72 LYS HB2 1 73 ASN H . . 3.890 2.361 2.017 3.882 . 0 0 "[ . 1 . 2]" 1
1488 1 72 LYS HB3 1 73 ASN H . . 3.890 3.147 2.708 3.924 0.034 5 0 "[ . 1 . 2]" 1
1489 1 72 LYS QG 1 73 ASN H . . 4.620 3.770 1.870 4.167 . 0 0 "[ . 1 . 2]" 1
1490 1 73 ASN H 1 73 ASN HB2 . . 3.160 2.422 2.277 2.600 . 0 0 "[ . 1 . 2]" 1
1491 1 73 ASN H 1 73 ASN HB3 . . 3.650 3.580 3.544 3.604 . 0 0 "[ . 1 . 2]" 1
1492 1 73 ASN H 1 73 ASN HD21 . . 5.180 4.381 4.040 4.622 . 0 0 "[ . 1 . 2]" 1
1493 1 73 ASN H 1 73 ASN QD . . 4.390 3.976 3.756 4.137 . 0 0 "[ . 1 . 2]" 1
1494 1 73 ASN H 1 73 ASN HD22 . . 5.180 4.569 4.313 4.794 . 0 0 "[ . 1 . 2]" 1
1495 1 73 ASN H 1 74 THR H . . 3.160 2.863 2.633 2.988 . 0 0 "[ . 1 . 2]" 1
1496 1 73 ASN H 1 74 THR HA . . 5.500 5.414 5.241 5.500 . 0 0 "[ . 1 . 2]" 1
1497 1 73 ASN H 1 74 THR MG . . 4.800 4.473 4.149 4.687 . 0 0 "[ . 1 . 2]" 1
1498 1 73 ASN H 1 76 ALA MB . . 5.050 4.772 4.530 5.026 . 0 0 "[ . 1 . 2]" 1
1499 1 73 ASN HA 1 73 ASN HD21 . . 4.770 4.291 4.055 4.412 . 0 0 "[ . 1 . 2]" 1
1500 1 73 ASN HA 1 73 ASN QD . . 4.170 3.915 3.758 4.011 . 0 0 "[ . 1 . 2]" 1
1501 1 73 ASN HA 1 73 ASN HD22 . . 4.770 4.522 4.423 4.644 . 0 0 "[ . 1 . 2]" 1
1502 1 73 ASN HA 1 74 THR HA . . 5.020 4.860 4.790 4.917 . 0 0 "[ . 1 . 2]" 1
1503 1 73 ASN HA 1 76 ALA H . . 3.910 3.612 3.204 3.908 . 0 0 "[ . 1 . 2]" 1
1504 1 73 ASN HA 1 76 ALA MB . . 3.550 2.686 2.317 2.981 . 0 0 "[ . 1 . 2]" 1
1505 1 73 ASN HA 1 77 ALA H . . 4.780 4.598 4.122 4.782 0.002 14 0 "[ . 1 . 2]" 1
1506 1 73 ASN HB2 1 73 ASN QD . . 3.460 2.568 2.324 2.833 . 0 0 "[ . 1 . 2]" 1
1507 1 73 ASN HB2 1 73 ASN HD22 . . 4.000 3.646 3.529 3.782 . 0 0 "[ . 1 . 2]" 1
1508 1 73 ASN HB2 1 74 THR H . . 3.680 2.645 2.350 3.022 . 0 0 "[ . 1 . 2]" 1
1509 1 73 ASN HB2 1 74 THR MG . . 4.610 3.631 3.479 3.827 . 0 0 "[ . 1 . 2]" 1
1510 1 73 ASN HB3 1 73 ASN QD . . 3.430 2.432 2.202 2.676 . 0 0 "[ . 1 . 2]" 1
1511 1 73 ASN HB3 1 73 ASN HD22 . . 3.980 3.581 3.478 3.698 . 0 0 "[ . 1 . 2]" 1
1512 1 73 ASN HB3 1 74 THR H . . 3.960 3.459 2.975 3.857 . 0 0 "[ . 1 . 2]" 1
1513 1 73 ASN HB3 1 74 THR MG . . 4.940 4.258 3.905 4.590 . 0 0 "[ . 1 . 2]" 1
1514 1 74 THR H 1 74 THR HG1 . . 3.230 2.262 1.925 3.074 . 0 0 "[ . 1 . 2]" 1
1515 1 74 THR H 1 74 THR MG . . 3.170 2.345 2.094 2.579 . 0 0 "[ . 1 . 2]" 1
1516 1 74 THR H 1 75 GLU H . . 3.480 2.974 2.826 3.146 . 0 0 "[ . 1 . 2]" 1
1517 1 74 THR H 1 75 GLU HB2 . . 5.500 5.033 4.820 5.266 . 0 0 "[ . 1 . 2]" 1
1518 1 74 THR H 1 75 GLU HG2 . . 5.500 5.238 4.713 5.466 . 0 0 "[ . 1 . 2]" 1
1519 1 74 THR H 1 76 ALA H . . 4.690 4.271 3.962 4.595 . 0 0 "[ . 1 . 2]" 1
1520 1 74 THR HA 1 74 THR MG . . 3.110 2.243 2.126 2.371 . 0 0 "[ . 1 . 2]" 1
1521 1 74 THR HA 1 77 ALA H . . 4.000 3.488 3.286 3.608 . 0 0 "[ . 1 . 2]" 1
1522 1 74 THR HA 1 77 ALA MB . . 3.640 2.960 2.631 3.135 . 0 0 "[ . 1 . 2]" 1
1523 1 74 THR HA 1 78 ARG H . . 4.510 4.010 3.832 4.209 . 0 0 "[ . 1 . 2]" 1
1524 1 74 THR HG1 1 75 GLU H . . 3.330 2.598 1.956 3.034 . 0 0 "[ . 1 . 2]" 1
1525 1 74 THR HG1 1 75 GLU HG2 . . 4.750 3.930 3.356 4.283 . 0 0 "[ . 1 . 2]" 1
1526 1 74 THR MG 1 75 GLU H . . 4.290 3.807 3.668 3.977 . 0 0 "[ . 1 . 2]" 1
1527 1 75 GLU H 1 75 GLU HB2 . . 3.530 2.574 2.315 2.782 . 0 0 "[ . 1 . 2]" 1
1528 1 75 GLU H 1 75 GLU HB3 . . 3.940 3.586 3.557 3.602 . 0 0 "[ . 1 . 2]" 1
1529 1 75 GLU H 1 75 GLU HG2 . . 3.450 2.503 2.122 2.786 . 0 0 "[ . 1 . 2]" 1
1530 1 75 GLU H 1 75 GLU HG3 . . 4.210 2.813 2.193 3.576 . 0 0 "[ . 1 . 2]" 1
1531 1 75 GLU H 1 76 ALA H . . 3.430 2.883 2.610 3.108 . 0 0 "[ . 1 . 2]" 1
1532 1 75 GLU H 1 76 ALA MB . . 4.590 4.450 4.199 4.593 0.003 12 0 "[ . 1 . 2]" 1
1533 1 75 GLU H 1 77 ALA H . . 4.640 4.177 4.081 4.339 . 0 0 "[ . 1 . 2]" 1
1534 1 75 GLU H 1 78 ARG HG2 . . 5.120 4.600 4.289 4.875 . 0 0 "[ . 1 . 2]" 1
1535 1 75 GLU HA 1 75 GLU HG2 . . 3.980 2.576 2.382 2.826 . 0 0 "[ . 1 . 2]" 1
1536 1 75 GLU HA 1 75 GLU HG3 . . 3.930 3.596 3.423 3.760 . 0 0 "[ . 1 . 2]" 1
1537 1 75 GLU HA 1 77 ALA H . . 4.780 4.114 3.831 4.489 . 0 0 "[ . 1 . 2]" 1
1538 1 75 GLU HA 1 78 ARG H . . 3.970 3.327 3.114 3.529 . 0 0 "[ . 1 . 2]" 1
1539 1 75 GLU HA 1 78 ARG HB2 . . 4.590 4.280 4.113 4.416 . 0 0 "[ . 1 . 2]" 1
1540 1 75 GLU HA 1 78 ARG HB3 . . 3.710 3.088 2.827 3.257 . 0 0 "[ . 1 . 2]" 1
1541 1 75 GLU HA 1 78 ARG HG2 . . 3.910 2.078 2.004 2.206 . 0 0 "[ . 1 . 2]" 1
1542 1 75 GLU HA 1 78 ARG HG3 . . 4.870 2.460 2.120 2.697 . 0 0 "[ . 1 . 2]" 1
1543 1 75 GLU HA 1 79 ASP H . . 4.330 4.063 3.858 4.279 . 0 0 "[ . 1 . 2]" 1
1544 1 75 GLU HB2 1 76 ALA H . . 3.690 2.526 2.180 2.904 . 0 0 "[ . 1 . 2]" 1
1545 1 75 GLU HB3 1 76 ALA H . . 3.670 3.561 3.365 3.672 0.002 10 0 "[ . 1 . 2]" 1
1546 1 75 GLU HB3 1 78 ARG H . . 5.500 5.325 5.068 5.502 0.002 14 0 "[ . 1 . 2]" 1
1547 1 75 GLU HG2 1 76 ALA H . . 4.760 4.576 4.409 4.765 0.005 18 0 "[ . 1 . 2]" 1
1548 1 76 ALA H 1 76 ALA MB . . 2.960 2.122 2.027 2.252 . 0 0 "[ . 1 . 2]" 1
1549 1 76 ALA H 1 77 ALA H . . 3.320 2.716 2.504 2.894 . 0 0 "[ . 1 . 2]" 1
1550 1 76 ALA H 1 77 ALA MB . . 5.430 4.403 4.230 4.574 . 0 0 "[ . 1 . 2]" 1
1551 1 76 ALA H 1 78 ARG H . . 4.750 4.243 3.839 4.542 . 0 0 "[ . 1 . 2]" 1
1552 1 76 ALA HA 1 79 ASP H . . 4.240 3.885 3.694 4.023 . 0 0 "[ . 1 . 2]" 1
1553 1 76 ALA HA 1 79 ASP HB2 . . 4.140 3.442 2.685 3.798 . 0 0 "[ . 1 . 2]" 1
1554 1 76 ALA HA 1 79 ASP QB . . 3.460 3.085 2.653 3.308 . 0 0 "[ . 1 . 2]" 1
1555 1 76 ALA HA 1 79 ASP HB3 . . 4.140 3.556 3.150 4.141 0.001 4 0 "[ . 1 . 2]" 1
1556 1 76 ALA MB 1 77 ALA H . . 3.310 2.757 2.542 2.871 . 0 0 "[ . 1 . 2]" 1
1557 1 76 ALA MB 1 77 ALA HA . . 4.580 3.847 3.757 3.964 . 0 0 "[ . 1 . 2]" 1
1558 1 77 ALA H 1 77 ALA MB . . 3.030 2.208 2.102 2.273 . 0 0 "[ . 1 . 2]" 1
1559 1 77 ALA H 1 78 ARG H . . 3.390 2.419 2.199 2.549 . 0 0 "[ . 1 . 2]" 1
1560 1 77 ALA H 1 79 ASP H . . 4.170 3.746 3.557 3.907 . 0 0 "[ . 1 . 2]" 1
1561 1 77 ALA H 1 79 ASP QB . . 5.340 4.660 4.431 4.860 . 0 0 "[ . 1 . 2]" 1
1562 1 77 ALA HA 1 79 ASP H . . 3.960 3.879 3.783 3.966 0.006 10 0 "[ . 1 . 2]" 1
1563 1 77 ALA HA 1 80 ALA H . . 3.740 3.532 3.424 3.680 . 0 0 "[ . 1 . 2]" 1
1564 1 77 ALA HA 1 80 ALA MB . . 3.390 3.162 3.029 3.382 . 0 0 "[ . 1 . 2]" 1
1565 1 77 ALA MB 1 78 ARG H . . 3.560 2.562 2.335 2.878 . 0 0 "[ . 1 . 2]" 1
1566 1 78 ARG H 1 78 ARG HB2 . . 3.760 3.524 3.495 3.557 . 0 0 "[ . 1 . 2]" 1
1567 1 78 ARG H 1 78 ARG HB3 . . 3.350 2.237 2.187 2.301 . 0 0 "[ . 1 . 2]" 1
1568 1 78 ARG H 1 78 ARG HE . . 5.500 5.045 4.914 5.255 . 0 0 "[ . 1 . 2]" 1
1569 1 78 ARG H 1 78 ARG HG2 . . 4.070 3.589 3.514 3.657 . 0 0 "[ . 1 . 2]" 1
1570 1 78 ARG H 1 78 ARG HG3 . . 4.120 2.861 2.730 2.989 . 0 0 "[ . 1 . 2]" 1
1571 1 78 ARG H 1 79 ASP H . . 3.570 2.625 2.465 2.742 . 0 0 "[ . 1 . 2]" 1
1572 1 78 ARG H 1 80 ALA H . . 4.720 4.315 4.145 4.605 . 0 0 "[ . 1 . 2]" 1
1573 1 78 ARG HA 1 78 ARG HG3 . . 4.050 3.624 3.617 3.634 . 0 0 "[ . 1 . 2]" 1
1574 1 78 ARG HA 1 81 ILE H . . 3.790 3.564 3.441 3.784 . 0 0 "[ . 1 . 2]" 1
1575 1 78 ARG HA 1 81 ILE HB . . 3.760 3.377 3.122 3.663 . 0 0 "[ . 1 . 2]" 1
1576 1 78 ARG HA 1 81 ILE MD . . 3.800 2.372 1.967 2.639 . 0 0 "[ . 1 . 2]" 1
1577 1 78 ARG HA 1 81 ILE HG12 . . 4.660 4.627 4.530 4.661 0.001 3 0 "[ . 1 . 2]" 1
1578 1 78 ARG HA 1 81 ILE HG13 . . 4.310 3.249 2.987 3.549 . 0 0 "[ . 1 . 2]" 1
1579 1 78 ARG HB2 1 78 ARG HD2 . . 3.600 2.384 2.323 2.524 . 0 0 "[ . 1 . 2]" 1
1580 1 78 ARG HB2 1 79 ASP H . . 4.480 4.231 4.197 4.259 . 0 0 "[ . 1 . 2]" 1
1581 1 78 ARG HB3 1 78 ARG HE . . 4.780 4.669 4.653 4.689 . 0 0 "[ . 1 . 2]" 1
1582 1 78 ARG HB3 1 79 ASP H . . 4.100 3.850 3.794 3.951 . 0 0 "[ . 1 . 2]" 1
1583 1 78 ARG HD2 1 79 ASP H . . 5.340 3.839 3.685 3.960 . 0 0 "[ . 1 . 2]" 1
1584 1 78 ARG HD2 1 79 ASP HA . . 4.650 3.218 3.015 3.365 . 0 0 "[ . 1 . 2]" 1
1585 1 78 ARG HD2 1 82 LEU MD1 . . 3.830 2.500 2.008 2.990 . 0 0 "[ . 1 . 2]" 1
1586 1 78 ARG HD2 1 82 LEU HG . . 3.430 3.114 2.940 3.227 . 0 0 "[ . 1 . 2]" 1
1587 1 78 ARG HD3 1 79 ASP H . . 5.210 4.952 4.863 5.021 . 0 0 "[ . 1 . 2]" 1
1588 1 78 ARG HD3 1 82 LEU MD1 . . 3.960 3.229 2.826 3.647 . 0 0 "[ . 1 . 2]" 1
1589 1 78 ARG HD3 1 82 LEU HG . . 4.720 4.597 4.446 4.718 . 0 0 "[ . 1 . 2]" 1
1590 1 78 ARG HE 1 78 ARG HG3 . . 4.190 2.242 2.206 2.341 . 0 0 "[ . 1 . 2]" 1
1591 1 78 ARG HE 1 79 ASP H . . 4.550 3.577 3.464 3.848 . 0 0 "[ . 1 . 2]" 1
1592 1 78 ARG HG2 1 79 ASP H . . 4.740 4.011 3.926 4.091 . 0 0 "[ . 1 . 2]" 1
1593 1 78 ARG HG3 1 79 ASP H . . 4.160 2.318 2.231 2.380 . 0 0 "[ . 1 . 2]" 1
1594 1 78 ARG HG3 1 79 ASP HA . . 4.460 3.415 3.356 3.591 . 0 0 "[ . 1 . 2]" 1
1595 1 78 ARG HG3 1 82 LEU HG . . 5.430 5.274 5.087 5.430 . 0 0 "[ . 1 . 2]" 1
1596 1 79 ASP H 1 79 ASP HB2 . . 3.770 2.465 2.180 2.814 . 0 0 "[ . 1 . 2]" 1
1597 1 79 ASP H 1 79 ASP QB . . 3.220 2.242 2.159 2.259 . 0 0 "[ . 1 . 2]" 1
1598 1 79 ASP H 1 79 ASP HB3 . . 3.770 2.647 2.290 3.488 . 0 0 "[ . 1 . 2]" 1
1599 1 79 ASP H 1 80 ALA H . . 3.210 2.575 2.498 2.669 . 0 0 "[ . 1 . 2]" 1
1600 1 79 ASP HA 1 82 LEU H . . 3.900 3.791 3.616 3.879 . 0 0 "[ . 1 . 2]" 1
1601 1 79 ASP HA 1 82 LEU HB2 . . 3.550 3.478 3.438 3.516 . 0 0 "[ . 1 . 2]" 1
1602 1 79 ASP HA 1 82 LEU HB3 . . 5.050 5.036 4.969 5.053 0.003 3 0 "[ . 1 . 2]" 1
1603 1 79 ASP HA 1 82 LEU MD1 . . 3.720 2.646 2.355 2.921 . 0 0 "[ . 1 . 2]" 1
1604 1 79 ASP HA 1 82 LEU HG . . 4.380 3.516 3.147 3.714 . 0 0 "[ . 1 . 2]" 1
1605 1 79 ASP HA 1 83 ARG H . . 4.320 4.225 4.112 4.318 . 0 0 "[ . 1 . 2]" 1
1606 1 79 ASP QB 1 80 ALA H . . 3.390 2.753 2.542 3.059 . 0 0 "[ . 1 . 2]" 1
1607 1 79 ASP HB2 1 80 ALA H . . 3.960 3.881 3.251 3.961 0.001 15 0 "[ . 1 . 2]" 1
1608 1 79 ASP HB3 1 80 ALA H . . 3.960 2.842 2.575 3.726 . 0 0 "[ . 1 . 2]" 1
1609 1 80 ALA H 1 80 ALA MB . . 2.980 2.090 2.027 2.183 . 0 0 "[ . 1 . 2]" 1
1610 1 80 ALA H 1 81 ILE H . . 3.350 2.760 2.552 2.955 . 0 0 "[ . 1 . 2]" 1
1611 1 80 ALA H 1 81 ILE HB . . 5.410 4.838 4.682 4.986 . 0 0 "[ . 1 . 2]" 1
1612 1 80 ALA H 1 81 ILE HG13 . . 4.620 4.260 4.050 4.406 . 0 0 "[ . 1 . 2]" 1
1613 1 80 ALA H 1 82 LEU H . . 4.600 4.082 3.947 4.204 . 0 0 "[ . 1 . 2]" 1
1614 1 80 ALA H 1 82 LEU MD1 . . 5.500 5.341 5.233 5.467 . 0 0 "[ . 1 . 2]" 1
1615 1 80 ALA H 1 83 ARG QB . . 5.340 4.586 4.357 4.802 . 0 0 "[ . 1 . 2]" 1
1616 1 80 ALA H 1 84 ILE MD . . 5.500 5.313 5.108 5.502 0.002 3 0 "[ . 1 . 2]" 1
1617 1 80 ALA HA 1 82 LEU H . . 4.060 4.027 3.873 4.063 0.003 8 0 "[ . 1 . 2]" 1
1618 1 80 ALA HA 1 83 ARG H . . 3.950 3.293 3.139 3.459 . 0 0 "[ . 1 . 2]" 1
1619 1 80 ALA HA 1 83 ARG HB2 . . 3.670 2.728 2.105 3.392 . 0 0 "[ . 1 . 2]" 1
1620 1 80 ALA HA 1 83 ARG HB3 . . 3.670 2.851 2.243 3.666 . 0 0 "[ . 1 . 2]" 1
1621 1 80 ALA HA 1 83 ARG HD2 . . 4.990 3.827 3.252 4.679 . 0 0 "[ . 1 . 2]" 1
1622 1 80 ALA HA 1 83 ARG QD . . 4.340 3.379 2.459 3.651 . 0 0 "[ . 1 . 2]" 1
1623 1 80 ALA HA 1 83 ARG HD3 . . 4.990 4.231 2.484 4.992 0.002 3 0 "[ . 1 . 2]" 1
1624 1 80 ALA HA 1 84 ILE H . . 4.490 4.097 3.779 4.408 . 0 0 "[ . 1 . 2]" 1
1625 1 80 ALA HA 1 84 ILE MD . . 4.740 3.970 3.735 4.133 . 0 0 "[ . 1 . 2]" 1
1626 1 80 ALA MB 1 81 ILE H . . 3.480 2.382 2.114 2.537 . 0 0 "[ . 1 . 2]" 1
1627 1 80 ALA MB 1 81 ILE HA . . 4.430 3.636 3.565 3.709 . 0 0 "[ . 1 . 2]" 1
1628 1 80 ALA MB 1 83 ARG H . . 5.210 4.560 4.397 4.727 . 0 0 "[ . 1 . 2]" 1
1629 1 80 ALA MB 1 84 ILE H . . 4.940 4.595 4.261 4.882 . 0 0 "[ . 1 . 2]" 1
1630 1 80 ALA MB 1 84 ILE MD . . 3.650 2.789 2.494 3.015 . 0 0 "[ . 1 . 2]" 1
1631 1 81 ILE H 1 81 ILE HB . . 3.140 2.661 2.569 2.720 . 0 0 "[ . 1 . 2]" 1
1632 1 81 ILE H 1 81 ILE MD . . 3.740 3.388 3.108 3.533 . 0 0 "[ . 1 . 2]" 1
1633 1 81 ILE H 1 81 ILE HG12 . . 3.710 3.310 3.128 3.479 . 0 0 "[ . 1 . 2]" 1
1634 1 81 ILE H 1 81 ILE HG13 . . 3.380 1.924 1.897 2.051 . 0 0 "[ . 1 . 2]" 1
1635 1 81 ILE H 1 81 ILE MG . . 3.850 3.774 3.768 3.783 . 0 0 "[ . 1 . 2]" 1
1636 1 81 ILE H 1 82 LEU H . . 3.400 2.914 2.826 3.002 . 0 0 "[ . 1 . 2]" 1
1637 1 81 ILE H 1 82 LEU HG . . 4.770 4.448 4.286 4.607 . 0 0 "[ . 1 . 2]" 1
1638 1 81 ILE H 1 84 ILE MD . . 4.140 3.747 3.538 4.142 0.002 8 0 "[ . 1 . 2]" 1
1639 1 81 ILE HA 1 81 ILE MD . . 4.060 3.860 3.822 3.889 . 0 0 "[ . 1 . 2]" 1
1640 1 81 ILE HA 1 81 ILE HG12 . . 3.580 2.630 2.521 2.804 . 0 0 "[ . 1 . 2]" 1
1641 1 81 ILE HA 1 81 ILE HG13 . . 3.600 2.879 2.683 3.048 . 0 0 "[ . 1 . 2]" 1
1642 1 81 ILE HA 1 81 ILE MG . . 3.400 2.412 2.353 2.473 . 0 0 "[ . 1 . 2]" 1
1643 1 81 ILE HA 1 83 ARG H . . 5.240 5.028 4.846 5.218 . 0 0 "[ . 1 . 2]" 1
1644 1 81 ILE HA 1 84 ILE H . . 4.310 4.129 4.044 4.314 0.004 8 0 "[ . 1 . 2]" 1
1645 1 81 ILE HA 1 84 ILE HB . . 3.780 3.720 3.583 3.780 . 0 0 "[ . 1 . 2]" 1
1646 1 81 ILE HA 1 84 ILE MD . . 3.660 2.456 2.219 2.800 . 0 0 "[ . 1 . 2]" 1
1647 1 81 ILE HA 1 85 VAL H . . 5.000 4.551 4.353 4.728 . 0 0 "[ . 1 . 2]" 1
1648 1 81 ILE HB 1 81 ILE MD . . 3.420 2.270 2.150 2.465 . 0 0 "[ . 1 . 2]" 1
1649 1 81 ILE HB 1 82 LEU H . . 3.270 2.726 2.662 2.844 . 0 0 "[ . 1 . 2]" 1
1650 1 81 ILE HB 1 82 LEU MD2 . . 3.660 3.420 3.290 3.614 . 0 0 "[ . 1 . 2]" 1
1651 1 81 ILE HB 1 82 LEU HG . . 4.200 3.136 3.008 3.237 . 0 0 "[ . 1 . 2]" 1
1652 1 81 ILE HG12 1 81 ILE MG . . 3.600 2.209 2.095 2.310 . 0 0 "[ . 1 . 2]" 1
1653 1 81 ILE HG13 1 81 ILE MG . . 3.650 3.176 3.144 3.192 . 0 0 "[ . 1 . 2]" 1
1654 1 81 ILE MG 1 82 LEU H . . 3.590 3.556 3.502 3.589 . 0 0 "[ . 1 . 2]" 1
1655 1 81 ILE MG 1 82 LEU HA . . 4.380 3.569 3.435 3.650 . 0 0 "[ . 1 . 2]" 1
1656 1 81 ILE MG 1 85 VAL H . . 4.450 4.299 4.087 4.450 . 0 0 "[ . 1 . 2]" 1
1657 1 82 LEU H 1 82 LEU HB2 . . 3.240 2.588 2.561 2.619 . 0 0 "[ . 1 . 2]" 1
1658 1 82 LEU H 1 82 LEU HB3 . . 3.620 3.618 3.609 3.633 0.013 6 0 "[ . 1 . 2]" 1
1659 1 82 LEU H 1 82 LEU MD1 . . 4.310 3.566 3.491 3.635 . 0 0 "[ . 1 . 2]" 1
1660 1 82 LEU H 1 82 LEU MD2 . . 3.990 3.324 3.229 3.403 . 0 0 "[ . 1 . 2]" 1
1661 1 82 LEU H 1 82 LEU HG . . 3.210 2.183 2.119 2.279 . 0 0 "[ . 1 . 2]" 1
1662 1 82 LEU H 1 83 ARG H . . 3.440 2.555 2.439 2.660 . 0 0 "[ . 1 . 2]" 1
1663 1 82 LEU H 1 84 ILE H . . 4.900 3.964 3.769 4.465 . 0 0 "[ . 1 . 2]" 1
1664 1 82 LEU HA 1 82 LEU MD1 . . 4.320 3.926 3.904 3.961 . 0 0 "[ . 1 . 2]" 1
1665 1 82 LEU HA 1 82 LEU MD2 . . 3.040 2.197 2.096 2.397 . 0 0 "[ . 1 . 2]" 1
1666 1 82 LEU HA 1 82 LEU HG . . 4.070 3.206 3.169 3.253 . 0 0 "[ . 1 . 2]" 1
1667 1 82 LEU HA 1 84 ILE H . . 4.870 4.006 3.694 4.846 . 0 0 "[ . 1 . 2]" 1
1668 1 82 LEU HA 1 85 VAL H . . 3.800 3.439 3.268 3.701 . 0 0 "[ . 1 . 2]" 1
1669 1 82 LEU HA 1 85 VAL HB . . 3.360 2.771 2.564 3.046 . 0 0 "[ . 1 . 2]" 1
1670 1 82 LEU HA 1 85 VAL MG1 . . 4.320 4.130 3.940 4.309 . 0 0 "[ . 1 . 2]" 1
1671 1 82 LEU HA 1 85 VAL MG2 . . 3.660 2.729 2.273 3.244 . 0 0 "[ . 1 . 2]" 1
1672 1 82 LEU HA 1 86 GLY H . . 4.360 4.174 3.908 4.319 . 0 0 "[ . 1 . 2]" 1
1673 1 82 LEU HB2 1 82 LEU MD1 . . 3.310 2.285 2.111 2.367 . 0 0 "[ . 1 . 2]" 1
1674 1 82 LEU HB2 1 82 LEU MD2 . . 3.540 3.176 3.171 3.182 . 0 0 "[ . 1 . 2]" 1
1675 1 82 LEU HB2 1 83 ARG H . . 4.640 2.293 2.154 2.470 . 0 0 "[ . 1 . 2]" 1
1676 1 82 LEU HB2 1 83 ARG HA . . 4.010 4.004 3.979 4.016 0.006 8 0 "[ . 1 . 2]" 1
1677 1 82 LEU HB3 1 82 LEU MD1 . . 3.350 2.399 2.300 2.538 . 0 0 "[ . 1 . 2]" 1
1678 1 82 LEU HB3 1 82 LEU MD2 . . 3.410 2.260 2.172 2.336 . 0 0 "[ . 1 . 2]" 1
1679 1 82 LEU HB3 1 83 ARG H . . 4.190 3.541 3.391 3.720 . 0 0 "[ . 1 . 2]" 1
1680 1 82 LEU HB3 1 85 VAL MG1 . . 5.500 5.096 4.961 5.320 . 0 0 "[ . 1 . 2]" 1
1681 1 82 LEU MD1 1 83 ARG H . . 4.230 4.134 4.023 4.211 . 0 0 "[ . 1 . 2]" 1
1682 1 82 LEU MD2 1 83 ARG H . . 4.730 4.578 4.517 4.643 . 0 0 "[ . 1 . 2]" 1
1683 1 82 LEU MD2 1 85 VAL H . . 5.360 5.059 4.853 5.361 0.001 8 0 "[ . 1 . 2]" 1
1684 1 82 LEU MD2 1 86 GLY H . . 5.500 5.389 5.102 5.503 0.003 15 0 "[ . 1 . 2]" 1
1685 1 83 ARG H 1 83 ARG HB2 . . 3.580 2.232 2.169 2.758 . 0 0 "[ . 1 . 2]" 1
1686 1 83 ARG H 1 83 ARG QB . . 2.970 2.153 2.120 2.263 . 0 0 "[ . 1 . 2]" 1
1687 1 83 ARG H 1 83 ARG HB3 . . 3.580 2.967 2.326 3.551 . 0 0 "[ . 1 . 2]" 1
1688 1 83 ARG H 1 83 ARG QD . . 4.860 4.322 3.768 4.536 . 0 0 "[ . 1 . 2]" 1
1689 1 83 ARG H 1 83 ARG HG2 . . 4.690 4.513 3.881 4.647 . 0 0 "[ . 1 . 2]" 1
1690 1 83 ARG H 1 83 ARG QG . . 3.890 3.768 2.620 3.911 0.021 8 0 "[ . 1 . 2]" 1
1691 1 83 ARG H 1 83 ARG HG3 . . 4.690 4.056 2.664 4.461 . 0 0 "[ . 1 . 2]" 1
1692 1 83 ARG H 1 84 ILE H . . 3.350 2.917 2.787 3.077 . 0 0 "[ . 1 . 2]" 1
1693 1 83 ARG H 1 84 ILE MD . . 5.120 4.874 4.709 5.048 . 0 0 "[ . 1 . 2]" 1
1694 1 83 ARG HA 1 83 ARG HD2 . . 4.980 4.374 3.964 4.684 . 0 0 "[ . 1 . 2]" 1
1695 1 83 ARG HA 1 83 ARG QD . . 4.370 3.963 3.673 4.125 . 0 0 "[ . 1 . 2]" 1
1696 1 83 ARG HA 1 83 ARG HD3 . . 4.980 4.558 4.341 4.976 . 0 0 "[ . 1 . 2]" 1
1697 1 83 ARG HA 1 83 ARG HG2 . . 3.720 2.913 2.430 3.658 . 0 0 "[ . 1 . 2]" 1
1698 1 83 ARG HA 1 83 ARG HG3 . . 3.720 2.451 2.180 2.791 . 0 0 "[ . 1 . 2]" 1
1699 1 83 ARG HA 1 84 ILE HA . . 4.890 4.735 4.679 4.841 . 0 0 "[ . 1 . 2]" 1
1700 1 83 ARG HA 1 86 GLY H . . 4.310 4.159 3.996 4.276 . 0 0 "[ . 1 . 2]" 1
1701 1 83 ARG QB 1 83 ARG QD . . 2.980 2.131 2.058 2.188 . 0 0 "[ . 1 . 2]" 1
1702 1 83 ARG QB 1 84 ILE H . . 3.200 2.683 2.350 2.888 . 0 0 "[ . 1 . 2]" 1
1703 1 83 ARG HB2 1 83 ARG HD2 . . 3.900 2.599 2.312 3.491 . 0 0 "[ . 1 . 2]" 1
1704 1 83 ARG HB2 1 83 ARG HD3 . . 3.900 3.154 2.264 3.595 . 0 0 "[ . 1 . 2]" 1
1705 1 83 ARG HB2 1 84 ILE H . . 3.770 3.673 3.050 3.783 0.013 8 0 "[ . 1 . 2]" 1
1706 1 83 ARG HB3 1 83 ARG HD2 . . 3.900 2.969 2.571 3.799 . 0 0 "[ . 1 . 2]" 1
1707 1 83 ARG HB3 1 83 ARG HD3 . . 3.900 2.863 2.199 3.675 . 0 0 "[ . 1 . 2]" 1
1708 1 83 ARG HB3 1 84 ILE H . . 3.770 2.786 2.374 3.572 . 0 0 "[ . 1 . 2]" 1
1709 1 83 ARG HG2 1 84 ILE H . . 5.250 4.408 2.676 5.213 . 0 0 "[ . 1 . 2]" 1
1710 1 83 ARG HG3 1 84 ILE H . . 5.250 4.932 3.603 5.225 . 0 0 "[ . 1 . 2]" 1
1711 1 84 ILE H 1 84 ILE HB . . 3.160 2.609 2.565 2.651 . 0 0 "[ . 1 . 2]" 1
1712 1 84 ILE H 1 84 ILE MD . . 4.100 3.202 3.130 3.308 . 0 0 "[ . 1 . 2]" 1
1713 1 84 ILE H 1 84 ILE HG12 . . 3.720 3.555 3.438 3.687 . 0 0 "[ . 1 . 2]" 1
1714 1 84 ILE H 1 84 ILE HG13 . . 3.260 2.049 1.906 2.194 . 0 0 "[ . 1 . 2]" 1
1715 1 84 ILE H 1 84 ILE MG . . 3.870 3.779 3.764 3.795 . 0 0 "[ . 1 . 2]" 1
1716 1 84 ILE H 1 85 VAL H . . 3.410 2.757 2.627 2.992 . 0 0 "[ . 1 . 2]" 1
1717 1 84 ILE H 1 85 VAL MG2 . . 4.830 4.228 3.995 4.554 . 0 0 "[ . 1 . 2]" 1
1718 1 84 ILE H 1 86 GLY H . . 4.980 4.210 3.824 4.786 . 0 0 "[ . 1 . 2]" 1
1719 1 84 ILE HA 1 84 ILE MD . . 3.920 3.921 3.894 3.944 0.024 4 0 "[ . 1 . 2]" 1
1720 1 84 ILE HA 1 84 ILE HG12 . . 3.510 2.835 2.775 2.907 . 0 0 "[ . 1 . 2]" 1
1721 1 84 ILE HA 1 84 ILE HG13 . . 3.540 2.829 2.753 2.925 . 0 0 "[ . 1 . 2]" 1
1722 1 84 ILE HA 1 84 ILE MG . . 3.240 2.323 2.205 2.440 . 0 0 "[ . 1 . 2]" 1
1723 1 84 ILE HA 1 86 GLY H . . 4.940 4.382 3.893 4.849 . 0 0 "[ . 1 . 2]" 1
1724 1 84 ILE HA 1 87 GLU H . . 3.960 3.504 3.259 3.699 . 0 0 "[ . 1 . 2]" 1
1725 1 84 ILE HA 1 87 GLU QB . . 3.720 3.637 3.357 3.726 0.006 19 0 "[ . 1 . 2]" 1
1726 1 84 ILE HA 1 87 GLU HG2 . . 5.030 2.968 2.049 3.941 . 0 0 "[ . 1 . 2]" 1
1727 1 84 ILE HA 1 87 GLU QG . . 4.260 2.451 2.038 3.079 . 0 0 "[ . 1 . 2]" 1
1728 1 84 ILE HA 1 87 GLU HG3 . . 5.030 3.521 2.153 4.841 . 0 0 "[ . 1 . 2]" 1
1729 1 84 ILE HA 1 88 LEU H . . 4.790 4.195 3.988 4.402 . 0 0 "[ . 1 . 2]" 1
1730 1 84 ILE HA 1 88 LEU HG . . 4.580 3.940 3.650 4.326 . 0 0 "[ . 1 . 2]" 1
1731 1 84 ILE HB 1 84 ILE MD . . 3.140 2.169 2.114 2.240 . 0 0 "[ . 1 . 2]" 1
1732 1 84 ILE HB 1 85 VAL H . . 3.270 2.137 1.987 2.294 . 0 0 "[ . 1 . 2]" 1
1733 1 84 ILE HB 1 85 VAL MG2 . . 4.110 3.241 3.092 3.476 . 0 0 "[ . 1 . 2]" 1
1734 1 84 ILE HB 1 88 LEU MD2 . . 4.250 4.217 4.036 4.254 0.004 1 0 "[ . 1 . 2]" 1
1735 1 84 ILE MD 1 85 VAL H . . 4.940 3.898 3.752 4.053 . 0 0 "[ . 1 . 2]" 1
1736 1 84 ILE HG12 1 84 ILE MG . . 3.420 2.089 2.041 2.260 . 0 0 "[ . 1 . 2]" 1
1737 1 84 ILE HG13 1 84 ILE MG . . 3.220 3.142 3.128 3.165 . 0 0 "[ . 1 . 2]" 1
1738 1 84 ILE HG13 1 85 VAL H . . 4.340 4.045 3.943 4.169 . 0 0 "[ . 1 . 2]" 1
1739 1 84 ILE MG 1 85 VAL H . . 3.570 3.235 3.127 3.363 . 0 0 "[ . 1 . 2]" 1
1740 1 84 ILE MG 1 85 VAL HA . . 4.240 3.587 3.406 3.691 . 0 0 "[ . 1 . 2]" 1
1741 1 84 ILE MG 1 87 GLU H . . 4.610 4.206 4.019 4.412 . 0 0 "[ . 1 . 2]" 1
1742 1 84 ILE MG 1 88 LEU H . . 3.970 3.358 3.112 3.621 . 0 0 "[ . 1 . 2]" 1
1743 1 84 ILE MG 1 88 LEU HG . . 3.410 2.226 1.967 2.830 . 0 0 "[ . 1 . 2]" 1
1744 1 85 VAL H 1 85 VAL HB . . 3.240 2.624 2.500 2.702 . 0 0 "[ . 1 . 2]" 1
1745 1 85 VAL H 1 85 VAL MG1 . . 3.920 3.783 3.770 3.791 . 0 0 "[ . 1 . 2]" 1
1746 1 85 VAL H 1 85 VAL MG2 . . 3.140 2.066 1.889 2.324 . 0 0 "[ . 1 . 2]" 1
1747 1 85 VAL H 1 86 GLY H . . 3.420 3.083 2.926 3.250 . 0 0 "[ . 1 . 2]" 1
1748 1 85 VAL H 1 87 GLU H . . 4.780 4.548 4.256 4.778 . 0 0 "[ . 1 . 2]" 1
1749 1 85 VAL H 1 88 LEU MD1 . . 3.940 3.424 2.972 3.895 . 0 0 "[ . 1 . 2]" 1
1750 1 85 VAL HA 1 85 VAL MG1 . . 3.420 2.404 2.330 2.479 . 0 0 "[ . 1 . 2]" 1
1751 1 85 VAL HA 1 85 VAL MG2 . . 3.230 2.334 2.160 2.413 . 0 0 "[ . 1 . 2]" 1
1752 1 85 VAL HA 1 87 GLU H . . 5.020 4.431 3.943 4.770 . 0 0 "[ . 1 . 2]" 1
1753 1 85 VAL HA 1 88 LEU H . . 4.020 3.513 3.262 3.760 . 0 0 "[ . 1 . 2]" 1
1754 1 85 VAL HA 1 88 LEU HB2 . . 3.750 2.732 2.506 3.038 . 0 0 "[ . 1 . 2]" 1
1755 1 85 VAL HA 1 88 LEU HB3 . . 4.440 4.144 3.916 4.318 . 0 0 "[ . 1 . 2]" 1
1756 1 85 VAL HA 1 88 LEU MD1 . . 3.450 2.254 2.049 2.536 . 0 0 "[ . 1 . 2]" 1
1757 1 85 VAL HA 1 88 LEU HG . . 4.010 2.512 2.152 2.938 . 0 0 "[ . 1 . 2]" 1
1758 1 85 VAL HA 1 89 GLU H . . 4.750 4.030 3.243 4.536 . 0 0 "[ . 1 . 2]" 1
1759 1 85 VAL HB 1 86 GLY H . . 3.450 2.486 2.163 2.826 . 0 0 "[ . 1 . 2]" 1
1760 1 85 VAL HB 1 86 GLY QA . . 4.790 3.921 3.793 4.082 . 0 0 "[ . 1 . 2]" 1
1761 1 85 VAL MG1 1 86 GLY H . . 4.000 3.207 2.823 3.543 . 0 0 "[ . 1 . 2]" 1
1762 1 85 VAL MG1 1 86 GLY QA . . 4.320 3.265 3.043 3.477 . 0 0 "[ . 1 . 2]" 1
1763 1 85 VAL MG1 1 88 LEU HB2 . . 4.320 3.536 3.239 3.742 . 0 0 "[ . 1 . 2]" 1
1764 1 85 VAL MG1 1 88 LEU HB3 . . 5.500 4.993 4.681 5.195 . 0 0 "[ . 1 . 2]" 1
1765 1 85 VAL MG1 1 89 GLU H . . 4.870 3.736 3.013 4.217 . 0 0 "[ . 1 . 2]" 1
1766 1 85 VAL MG1 1 89 GLU HA . . 5.500 4.886 4.021 5.297 . 0 0 "[ . 1 . 2]" 1
1767 1 85 VAL MG1 1 89 GLU HB2 . . 4.270 3.750 2.447 4.271 0.001 20 0 "[ . 1 . 2]" 1
1768 1 85 VAL MG1 1 89 GLU HG2 . . 4.520 4.225 3.187 4.523 0.003 8 0 "[ . 1 . 2]" 1
1769 1 85 VAL MG1 1 89 GLU HG3 . . 4.520 3.676 2.636 4.525 0.005 8 0 "[ . 1 . 2]" 1
1770 1 85 VAL MG2 1 86 GLY H . . 4.140 3.857 3.703 4.036 . 0 0 "[ . 1 . 2]" 1
1771 1 86 GLY H 1 87 GLU H . . 3.470 2.928 2.719 3.142 . 0 0 "[ . 1 . 2]" 1
1772 1 86 GLY QA 1 87 GLU H . . 3.460 2.659 2.558 2.765 . 0 0 "[ . 1 . 2]" 1
1773 1 86 GLY QA 1 88 LEU H . . 4.680 4.338 4.058 4.681 0.001 10 0 "[ . 1 . 2]" 1
1774 1 86 GLY QA 1 89 GLU H . . 4.200 3.872 3.683 4.138 . 0 0 "[ . 1 . 2]" 1
1775 1 86 GLY QA 1 89 GLU HB2 . . 4.210 3.353 3.037 3.784 . 0 0 "[ . 1 . 2]" 1
1776 1 86 GLY QA 1 89 GLU HB3 . . 4.660 4.332 3.685 4.663 0.003 15 0 "[ . 1 . 2]" 1
1777 1 87 GLU H 1 87 GLU HB2 . . 3.680 3.234 2.868 3.595 . 0 0 "[ . 1 . 2]" 1
1778 1 87 GLU H 1 87 GLU QB . . 2.970 2.542 2.212 2.801 . 0 0 "[ . 1 . 2]" 1
1779 1 87 GLU H 1 87 GLU HB3 . . 3.680 2.940 2.235 3.602 . 0 0 "[ . 1 . 2]" 1
1780 1 87 GLU H 1 87 GLU HG2 . . 4.250 2.344 1.904 2.760 . 0 0 "[ . 1 . 2]" 1
1781 1 87 GLU H 1 87 GLU QG . . 3.460 2.241 1.879 2.699 . 0 0 "[ . 1 . 2]" 1
1782 1 87 GLU H 1 87 GLU HG3 . . 4.250 3.155 2.149 3.841 . 0 0 "[ . 1 . 2]" 1
1783 1 87 GLU H 1 88 LEU H . . 3.080 2.637 2.455 2.898 . 0 0 "[ . 1 . 2]" 1
1784 1 87 GLU H 1 88 LEU HG . . 4.380 3.865 3.625 4.108 . 0 0 "[ . 1 . 2]" 1
1785 1 87 GLU H 1 89 GLU H . . 4.690 4.195 3.988 4.537 . 0 0 "[ . 1 . 2]" 1
1786 1 87 GLU HA 1 87 GLU HG2 . . 3.880 3.478 2.796 3.874 . 0 0 "[ . 1 . 2]" 1
1787 1 87 GLU HA 1 87 GLU QG . . 3.400 3.123 2.722 3.333 . 0 0 "[ . 1 . 2]" 1
1788 1 87 GLU HA 1 87 GLU HG3 . . 3.880 3.682 3.550 3.873 . 0 0 "[ . 1 . 2]" 1
1789 1 87 GLU HA 1 90 GLN H . . 3.810 3.507 3.264 3.785 . 0 0 "[ . 1 . 2]" 1
1790 1 87 GLU HA 1 90 GLN QB . . 4.240 3.062 2.549 3.570 . 0 0 "[ . 1 . 2]" 1
1791 1 87 GLU QB 1 88 LEU H . . 3.380 2.819 2.174 3.448 0.068 19 0 "[ . 1 . 2]" 1
1792 1 87 GLU HB2 1 88 LEU H . . 3.970 3.110 2.190 3.969 . 0 0 "[ . 1 . 2]" 1
1793 1 87 GLU HB3 1 88 LEU H . . 3.970 3.692 3.530 3.869 . 0 0 "[ . 1 . 2]" 1
1794 1 87 GLU QG 1 88 LEU H . . 4.370 2.654 1.889 3.337 . 0 0 "[ . 1 . 2]" 1
1795 1 87 GLU QG 1 88 LEU HA . . 5.320 4.099 2.771 5.351 0.031 8 0 "[ . 1 . 2]" 1
1796 1 87 GLU HG2 1 88 LEU H . . 5.040 3.059 1.949 4.206 . 0 0 "[ . 1 . 2]" 1
1797 1 87 GLU HG3 1 88 LEU H . . 5.040 3.128 2.144 4.445 . 0 0 "[ . 1 . 2]" 1
1798 1 88 LEU H 1 88 LEU HB2 . . 3.330 2.783 2.620 2.916 . 0 0 "[ . 1 . 2]" 1
1799 1 88 LEU H 1 88 LEU HB3 . . 3.620 3.568 3.540 3.583 . 0 0 "[ . 1 . 2]" 1
1800 1 88 LEU H 1 88 LEU MD1 . . 3.950 3.596 3.543 3.645 . 0 0 "[ . 1 . 2]" 1
1801 1 88 LEU H 1 88 LEU MD2 . . 3.780 2.628 2.294 2.864 . 0 0 "[ . 1 . 2]" 1
1802 1 88 LEU H 1 88 LEU HG . . 3.160 1.935 1.895 2.076 . 0 0 "[ . 1 . 2]" 1
1803 1 88 LEU H 1 89 GLU H . . 3.370 2.900 2.744 3.019 . 0 0 "[ . 1 . 2]" 1
1804 1 88 LEU H 1 90 GLN H . . 4.790 4.575 4.245 4.792 0.002 9 0 "[ . 1 . 2]" 1
1805 1 88 LEU HA 1 88 LEU MD1 . . 3.990 3.880 3.841 3.912 . 0 0 "[ . 1 . 2]" 1
1806 1 88 LEU HA 1 88 LEU MD2 . . 3.050 2.066 1.974 2.206 . 0 0 "[ . 1 . 2]" 1
1807 1 88 LEU HA 1 88 LEU HG . . 3.700 3.361 3.283 3.502 . 0 0 "[ . 1 . 2]" 1
1808 1 88 LEU HA 1 91 MET H . . 4.320 3.696 3.105 4.321 0.001 5 0 "[ . 1 . 2]" 1
1809 1 88 LEU HA 1 91 MET HB2 . . 4.930 3.001 2.001 4.872 . 0 0 "[ . 1 . 2]" 1
1810 1 88 LEU HA 1 91 MET HB3 . . 4.930 4.065 2.487 4.839 . 0 0 "[ . 1 . 2]" 1
1811 1 88 LEU HA 1 91 MET HG2 . . 4.700 3.997 2.226 4.691 . 0 0 "[ . 1 . 2]" 1
1812 1 88 LEU HA 1 91 MET HG3 . . 4.700 3.418 2.346 4.698 . 0 0 "[ . 1 . 2]" 1
1813 1 88 LEU HB2 1 88 LEU MD1 . . 3.170 2.305 2.220 2.424 . 0 0 "[ . 1 . 2]" 1
1814 1 88 LEU HB2 1 88 LEU MD2 . . 3.330 3.190 3.182 3.194 . 0 0 "[ . 1 . 2]" 1
1815 1 88 LEU HB2 1 89 GLU H . . 3.700 2.515 2.154 2.843 . 0 0 "[ . 1 . 2]" 1
1816 1 88 LEU HB2 1 89 GLU HA . . 4.210 4.034 3.841 4.168 . 0 0 "[ . 1 . 2]" 1
1817 1 88 LEU HB2 1 90 GLN H . . 5.480 5.183 4.811 5.419 . 0 0 "[ . 1 . 2]" 1
1818 1 88 LEU HB3 1 88 LEU MD1 . . 3.480 2.349 2.233 2.429 . 0 0 "[ . 1 . 2]" 1
1819 1 88 LEU HB3 1 88 LEU MD2 . . 3.390 2.448 2.376 2.508 . 0 0 "[ . 1 . 2]" 1
1820 1 88 LEU HB3 1 89 GLU H . . 4.000 3.758 3.467 3.999 . 0 0 "[ . 1 . 2]" 1
1821 1 88 LEU HB3 1 89 GLU HA . . 4.790 4.628 4.516 4.763 . 0 0 "[ . 1 . 2]" 1
1822 1 88 LEU MD2 1 89 GLU H . . 4.550 4.460 4.294 4.546 . 0 0 "[ . 1 . 2]" 1
1823 1 88 LEU HG 1 89 GLU H . . 4.460 3.964 3.631 4.090 . 0 0 "[ . 1 . 2]" 1
1824 1 89 GLU H 1 89 GLU HB2 . . 3.250 2.190 2.170 2.268 . 0 0 "[ . 1 . 2]" 1
1825 1 89 GLU H 1 89 GLU HB3 . . 3.740 3.270 2.916 3.541 . 0 0 "[ . 1 . 2]" 1
1826 1 89 GLU H 1 89 GLU HG2 . . 4.510 3.864 2.937 4.373 . 0 0 "[ . 1 . 2]" 1
1827 1 89 GLU H 1 89 GLU QG . . 3.800 3.284 2.700 3.807 0.007 9 0 "[ . 1 . 2]" 1
1828 1 89 GLU H 1 89 GLU HG3 . . 4.510 3.734 2.798 4.493 . 0 0 "[ . 1 . 2]" 1
1829 1 89 GLU H 1 90 GLN H . . 3.400 2.877 2.598 3.043 . 0 0 "[ . 1 . 2]" 1
1830 1 89 GLU H 1 91 MET H . . 5.020 4.338 3.970 4.695 . 0 0 "[ . 1 . 2]" 1
1831 1 89 GLU HA 1 89 GLU HG2 . . 4.070 2.416 2.158 3.542 . 0 0 "[ . 1 . 2]" 1
1832 1 89 GLU HA 1 89 GLU HG3 . . 4.070 3.227 2.238 3.645 . 0 0 "[ . 1 . 2]" 1
1833 1 89 GLU HA 1 91 MET H . . 4.880 4.491 3.704 4.877 . 0 0 "[ . 1 . 2]" 1
1834 1 89 GLU HB2 1 90 GLN H . . 3.830 2.971 2.469 3.565 . 0 0 "[ . 1 . 2]" 1
1835 1 89 GLU HB3 1 90 GLN H . . 3.070 2.720 2.157 3.065 . 0 0 "[ . 1 . 2]" 1
1836 1 89 GLU HB3 1 90 GLN HA . . 4.000 3.946 3.870 4.016 0.016 16 0 "[ . 1 . 2]" 1
1837 1 90 GLN H 1 90 GLN HB2 . . 3.800 2.374 2.171 2.680 . 0 0 "[ . 1 . 2]" 1
1838 1 90 GLN H 1 90 GLN QB . . 3.280 2.244 2.124 2.434 . 0 0 "[ . 1 . 2]" 1
1839 1 90 GLN H 1 90 GLN HB3 . . 3.800 3.042 2.421 3.588 . 0 0 "[ . 1 . 2]" 1
1840 1 90 GLN H 1 90 GLN QG . . 4.100 3.471 2.308 4.041 . 0 0 "[ . 1 . 2]" 1
1841 1 90 GLN H 1 91 MET H . . 3.610 2.879 2.505 3.254 . 0 0 "[ . 1 . 2]" 1
1842 1 90 GLN HA 1 90 GLN QG . . 3.710 2.400 2.188 2.979 . 0 0 "[ . 1 . 2]" 1
1843 1 90 GLN QB 1 91 MET H . . 4.150 2.660 2.081 3.910 . 0 0 "[ . 1 . 2]" 1
1844 1 91 MET H 1 91 MET HG2 . . 4.350 3.080 1.972 4.365 0.015 19 0 "[ . 1 . 2]" 1
1845 1 91 MET H 1 91 MET QG . . 3.780 2.584 1.887 3.727 . 0 0 "[ . 1 . 2]" 1
1846 1 91 MET H 1 91 MET HG3 . . 4.350 3.265 1.904 4.353 0.003 1 0 "[ . 1 . 2]" 1
1847 1 91 MET H 1 92 SER H . . 4.650 3.823 2.171 4.640 . 0 0 "[ . 1 . 2]" 1
1848 1 91 MET HB2 1 92 SER H . . 5.240 3.412 2.099 4.575 . 0 0 "[ . 1 . 2]" 1
1849 1 91 MET HB3 1 92 SER H . . 5.240 3.378 2.352 4.104 . 0 0 "[ . 1 . 2]" 1
1850 1 92 SER QB 1 93 GLY H . . 4.850 3.311 2.217 3.927 . 0 0 "[ . 1 . 2]" 1
1851 1 93 GLY HA2 1 94 PRO QD . . 3.470 2.392 1.949 3.462 . 0 0 "[ . 1 . 2]" 1
1852 1 93 GLY HA3 1 94 PRO QD . . 3.470 2.489 1.945 3.453 . 0 0 "[ . 1 . 2]" 1
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