NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
460087 |
1x44   |
11211 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x44
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 2386
_Distance_constraint_stats_list.Viol_count 659
_Distance_constraint_stats_list.Viol_total 140.928
_Distance_constraint_stats_list.Viol_max 0.150
_Distance_constraint_stats_list.Viol_rms 0.0026
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0107
_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 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.004 0.003 9 0 "[ . 1 . 2]"
1 8 ILE 0.043 0.013 13 0 "[ . 1 . 2]"
1 9 MET 0.038 0.007 16 0 "[ . 1 . 2]"
1 10 VAL 0.007 0.002 9 0 "[ . 1 . 2]"
1 11 THR 0.033 0.010 20 0 "[ . 1 . 2]"
1 12 LYS 0.147 0.026 6 0 "[ . 1 . 2]"
1 13 GLN 0.173 0.029 11 0 "[ . 1 . 2]"
1 14 LEU 0.018 0.004 2 0 "[ . 1 . 2]"
1 15 GLU 0.061 0.025 11 0 "[ . 1 . 2]"
1 16 ASP 0.001 0.001 19 0 "[ . 1 . 2]"
1 17 THR 0.013 0.006 16 0 "[ . 1 . 2]"
1 18 THR 0.002 0.001 18 0 "[ . 1 . 2]"
1 19 ALA 0.022 0.010 16 0 "[ . 1 . 2]"
1 20 TYR 0.062 0.049 16 0 "[ . 1 . 2]"
1 21 CYS 0.181 0.039 6 0 "[ . 1 . 2]"
1 22 GLY 0.013 0.012 16 0 "[ . 1 . 2]"
1 23 GLU 0.261 0.075 17 0 "[ . 1 . 2]"
1 24 ARG 1.340 0.150 20 0 "[ . 1 . 2]"
1 25 VAL 0.106 0.013 12 0 "[ . 1 . 2]"
1 26 GLU 0.026 0.009 2 0 "[ . 1 . 2]"
1 27 LEU 0.037 0.010 18 0 "[ . 1 . 2]"
1 28 GLU 0.360 0.105 8 0 "[ . 1 . 2]"
1 29 CYS 0.139 0.023 20 0 "[ . 1 . 2]"
1 30 GLU 0.060 0.009 20 0 "[ . 1 . 2]"
1 31 VAL 0.116 0.037 9 0 "[ . 1 . 2]"
1 32 SER 0.044 0.024 6 0 "[ . 1 . 2]"
1 33 GLU 0.144 0.047 9 0 "[ . 1 . 2]"
1 34 ASP 0.090 0.047 9 0 "[ . 1 . 2]"
1 35 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ALA 0.032 0.008 9 0 "[ . 1 . 2]"
1 37 ASN 0.225 0.072 8 0 "[ . 1 . 2]"
1 38 VAL 0.216 0.072 8 0 "[ . 1 . 2]"
1 39 LYS 0.068 0.017 8 0 "[ . 1 . 2]"
1 40 TRP 0.109 0.017 8 0 "[ . 1 . 2]"
1 41 PHE 0.167 0.020 14 0 "[ . 1 . 2]"
1 42 LYS 0.072 0.021 17 0 "[ . 1 . 2]"
1 43 ASN 0.149 0.087 14 0 "[ . 1 . 2]"
1 44 GLY 0.073 0.032 14 0 "[ . 1 . 2]"
1 45 GLU 0.034 0.009 19 0 "[ . 1 . 2]"
1 46 GLU 0.035 0.010 14 0 "[ . 1 . 2]"
1 47 ILE 0.108 0.019 7 0 "[ . 1 . 2]"
1 48 ILE 0.558 0.036 13 0 "[ . 1 . 2]"
1 49 PRO 0.496 0.036 13 0 "[ . 1 . 2]"
1 50 GLY 0.094 0.019 7 0 "[ . 1 . 2]"
1 51 PRO 0.085 0.019 7 0 "[ . 1 . 2]"
1 52 LYS 0.283 0.099 15 0 "[ . 1 . 2]"
1 53 SER 0.069 0.017 8 0 "[ . 1 . 2]"
1 54 ARG 0.018 0.009 1 0 "[ . 1 . 2]"
1 55 TYR 0.072 0.009 18 0 "[ . 1 . 2]"
1 56 ARG 0.134 0.058 2 0 "[ . 1 . 2]"
1 57 ILE 0.089 0.058 2 0 "[ . 1 . 2]"
1 58 ARG 0.030 0.010 9 0 "[ . 1 . 2]"
1 59 VAL 0.150 0.022 10 0 "[ . 1 . 2]"
1 60 GLU 0.215 0.069 18 0 "[ . 1 . 2]"
1 61 GLY 0.022 0.008 13 0 "[ . 1 . 2]"
1 62 LYS 0.160 0.029 7 0 "[ . 1 . 2]"
1 63 LYS 0.479 0.132 19 0 "[ . 1 . 2]"
1 64 HIS 0.271 0.039 4 0 "[ . 1 . 2]"
1 65 ILE 0.347 0.039 4 0 "[ . 1 . 2]"
1 66 LEU 0.152 0.025 13 0 "[ . 1 . 2]"
1 67 ILE 0.103 0.055 20 0 "[ . 1 . 2]"
1 68 ILE 0.144 0.027 20 0 "[ . 1 . 2]"
1 69 GLU 0.504 0.117 18 0 "[ . 1 . 2]"
1 70 GLY 0.487 0.117 18 0 "[ . 1 . 2]"
1 71 ALA 0.081 0.020 8 0 "[ . 1 . 2]"
1 72 THR 0.089 0.021 16 0 "[ . 1 . 2]"
1 73 LYS 0.046 0.020 7 0 "[ . 1 . 2]"
1 74 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ASP 0.108 0.027 20 0 "[ . 1 . 2]"
1 76 ALA 0.052 0.013 5 0 "[ . 1 . 2]"
1 77 ALA 0.130 0.087 14 0 "[ . 1 . 2]"
1 78 GLU 0.029 0.009 19 0 "[ . 1 . 2]"
1 79 TYR 0.014 0.006 14 0 "[ . 1 . 2]"
1 80 SER 0.036 0.020 14 0 "[ . 1 . 2]"
1 81 VAL 0.078 0.007 11 0 "[ . 1 . 2]"
1 82 MET 0.027 0.007 5 0 "[ . 1 . 2]"
1 83 THR 0.092 0.036 8 0 "[ . 1 . 2]"
1 84 THR 0.017 0.016 8 0 "[ . 1 . 2]"
1 85 GLY 0.003 0.003 9 0 "[ . 1 . 2]"
1 86 GLY 0.127 0.036 8 0 "[ . 1 . 2]"
1 87 GLN 0.153 0.037 11 0 "[ . 1 . 2]"
1 88 SER 0.117 0.037 11 0 "[ . 1 . 2]"
1 89 SER 0.016 0.004 7 0 "[ . 1 . 2]"
1 90 ALA 0.022 0.005 16 0 "[ . 1 . 2]"
1 91 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 LEU 0.049 0.011 16 0 "[ . 1 . 2]"
1 93 SER 0.015 0.006 16 0 "[ . 1 . 2]"
1 94 VAL 0.028 0.010 16 0 "[ . 1 . 2]"
1 95 ASP 0.153 0.049 16 0 "[ . 1 . 2]"
1 96 LEU 0.043 0.026 16 0 "[ . 1 . 2]"
1 97 LYS 0.033 0.020 20 0 "[ . 1 . 2]"
1 98 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 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 6 SER HA 1 7 GLY HA2 . . 5.140 4.485 4.305 5.074 . 0 0 "[ . 1 . 2]" 1
2 1 6 SER QB 1 7 GLY H . . 4.380 3.285 2.046 4.055 . 0 0 "[ . 1 . 2]" 1
3 1 7 GLY HA2 1 8 ILE H . . 3.080 2.512 2.368 2.676 . 0 0 "[ . 1 . 2]" 1
4 1 7 GLY HA2 1 8 ILE HB . . 4.770 4.674 4.585 4.769 . 0 0 "[ . 1 . 2]" 1
5 1 7 GLY HA2 1 8 ILE MD . . 4.830 4.732 4.536 4.831 0.001 4 0 "[ . 1 . 2]" 1
6 1 7 GLY HA2 1 8 ILE HG12 . . 5.180 5.061 4.909 5.178 . 0 0 "[ . 1 . 2]" 1
7 1 7 GLY HA2 1 8 ILE HG13 . . 4.800 3.545 3.405 3.647 . 0 0 "[ . 1 . 2]" 1
8 1 7 GLY HA2 1 9 MET ME . . 3.950 3.699 3.522 3.871 . 0 0 "[ . 1 . 2]" 1
9 1 7 GLY HA2 1 84 THR HB . . 4.450 3.080 2.772 3.320 . 0 0 "[ . 1 . 2]" 1
10 1 7 GLY HA2 1 85 GLY H . . 4.890 4.310 3.939 4.781 . 0 0 "[ . 1 . 2]" 1
11 1 7 GLY HA2 1 85 GLY HA2 . . 5.500 4.801 4.501 5.212 . 0 0 "[ . 1 . 2]" 1
12 1 7 GLY HA2 1 85 GLY HA3 . . 4.030 3.545 3.300 3.938 . 0 0 "[ . 1 . 2]" 1
13 1 7 GLY HA3 1 8 ILE H . . 3.180 2.618 2.455 2.776 . 0 0 "[ . 1 . 2]" 1
14 1 7 GLY HA3 1 8 ILE HB . . 5.280 5.126 4.976 5.235 . 0 0 "[ . 1 . 2]" 1
15 1 7 GLY HA3 1 8 ILE HG13 . . 5.080 4.653 4.450 4.787 . 0 0 "[ . 1 . 2]" 1
16 1 7 GLY HA3 1 9 MET ME . . 3.890 2.533 2.363 2.698 . 0 0 "[ . 1 . 2]" 1
17 1 7 GLY HA3 1 84 THR HB . . 4.540 4.260 3.889 4.541 0.001 19 0 "[ . 1 . 2]" 1
18 1 7 GLY HA3 1 85 GLY H . . 4.920 4.202 3.922 4.482 . 0 0 "[ . 1 . 2]" 1
19 1 7 GLY HA3 1 85 GLY HA2 . . 4.130 3.856 3.627 4.133 0.003 9 0 "[ . 1 . 2]" 1
20 1 7 GLY HA3 1 85 GLY HA3 . . 3.840 2.396 2.180 2.701 . 0 0 "[ . 1 . 2]" 1
21 1 8 ILE H 1 8 ILE HB . . 3.010 2.529 2.462 2.599 . 0 0 "[ . 1 . 2]" 1
22 1 8 ILE H 1 8 ILE MD . . 4.050 3.861 3.620 4.020 . 0 0 "[ . 1 . 2]" 1
23 1 8 ILE H 1 8 ILE HG12 . . 4.210 4.046 3.867 4.211 0.001 9 0 "[ . 1 . 2]" 1
24 1 8 ILE H 1 8 ILE HG13 . . 3.470 2.821 2.536 3.039 . 0 0 "[ . 1 . 2]" 1
25 1 8 ILE H 1 8 ILE MG . . 3.820 3.790 3.759 3.827 0.007 5 0 "[ . 1 . 2]" 1
26 1 8 ILE H 1 9 MET H . . 4.750 4.412 4.307 4.504 . 0 0 "[ . 1 . 2]" 1
27 1 8 ILE H 1 83 THR HB . . 4.620 4.237 3.914 4.499 . 0 0 "[ . 1 . 2]" 1
28 1 8 ILE H 1 84 THR H . . 4.670 3.859 3.626 4.025 . 0 0 "[ . 1 . 2]" 1
29 1 8 ILE H 1 84 THR HB . . 4.670 3.597 3.291 3.943 . 0 0 "[ . 1 . 2]" 1
30 1 8 ILE H 1 84 THR MG . . 4.610 4.122 3.736 4.507 . 0 0 "[ . 1 . 2]" 1
31 1 8 ILE H 1 85 GLY H . . 3.700 2.294 1.956 2.676 . 0 0 "[ . 1 . 2]" 1
32 1 8 ILE H 1 85 GLY HA2 . . 4.180 3.856 3.628 4.154 . 0 0 "[ . 1 . 2]" 1
33 1 8 ILE H 1 85 GLY HA3 . . 4.120 2.526 2.182 2.907 . 0 0 "[ . 1 . 2]" 1
34 1 8 ILE HA 1 8 ILE MD . . 3.960 3.838 3.810 3.872 . 0 0 "[ . 1 . 2]" 1
35 1 8 ILE HA 1 8 ILE HG12 . . 3.550 2.572 2.501 2.675 . 0 0 "[ . 1 . 2]" 1
36 1 8 ILE HA 1 8 ILE HG13 . . 3.740 2.841 2.757 2.925 . 0 0 "[ . 1 . 2]" 1
37 1 8 ILE HA 1 8 ILE MG . . 3.050 2.423 2.346 2.484 . 0 0 "[ . 1 . 2]" 1
38 1 8 ILE HA 1 9 MET H . . 2.800 2.158 2.141 2.215 . 0 0 "[ . 1 . 2]" 1
39 1 8 ILE HA 1 9 MET HA . . 4.640 4.387 4.380 4.400 . 0 0 "[ . 1 . 2]" 1
40 1 8 ILE HA 1 9 MET HB2 . . 5.080 4.833 4.740 4.907 . 0 0 "[ . 1 . 2]" 1
41 1 8 ILE HA 1 9 MET QG . . 4.510 3.424 3.320 3.538 . 0 0 "[ . 1 . 2]" 1
42 1 8 ILE HA 1 32 SER H . . 4.470 3.987 3.846 4.256 . 0 0 "[ . 1 . 2]" 1
43 1 8 ILE HA 1 32 SER QB . . 4.710 2.936 2.387 3.734 . 0 0 "[ . 1 . 2]" 1
44 1 8 ILE HA 1 32 SER HG . . 4.020 3.263 2.134 4.018 . 0 0 "[ . 1 . 2]" 1
45 1 8 ILE HA 1 33 GLU QG . . 4.240 3.330 2.860 3.987 . 0 0 "[ . 1 . 2]" 1
46 1 8 ILE HB 1 8 ILE MD . . 3.260 2.320 2.195 2.411 . 0 0 "[ . 1 . 2]" 1
47 1 8 ILE HB 1 36 ALA MB . . 4.490 4.273 3.687 4.487 . 0 0 "[ . 1 . 2]" 1
48 1 8 ILE HB 1 83 THR HB . . 3.600 2.298 2.015 2.546 . 0 0 "[ . 1 . 2]" 1
49 1 8 ILE HB 1 83 THR MG . . 3.900 3.582 3.300 3.886 . 0 0 "[ . 1 . 2]" 1
50 1 8 ILE HB 1 84 THR H . . 3.850 2.818 2.598 2.977 . 0 0 "[ . 1 . 2]" 1
51 1 8 ILE HB 1 84 THR MG . . 5.180 3.759 2.977 4.506 . 0 0 "[ . 1 . 2]" 1
52 1 8 ILE HB 1 85 GLY H . . 4.070 2.764 2.529 3.099 . 0 0 "[ . 1 . 2]" 1
53 1 8 ILE HB 1 86 GLY H . . 4.990 4.679 4.329 4.860 . 0 0 "[ . 1 . 2]" 1
54 1 8 ILE MD 1 9 MET H . . 5.250 5.102 4.872 5.248 . 0 0 "[ . 1 . 2]" 1
55 1 8 ILE MD 1 33 GLU H . . 4.260 3.775 3.468 4.125 . 0 0 "[ . 1 . 2]" 1
56 1 8 ILE MD 1 33 GLU QB . . 3.630 2.370 1.997 3.632 0.002 8 0 "[ . 1 . 2]" 1
57 1 8 ILE MD 1 33 GLU QG . . 3.470 3.069 1.945 3.483 0.013 13 0 "[ . 1 . 2]" 1
58 1 8 ILE MD 1 36 ALA H . . 4.840 4.631 4.349 4.841 0.001 13 0 "[ . 1 . 2]" 1
59 1 8 ILE MD 1 36 ALA HA . . 3.620 3.424 2.670 3.621 0.001 13 0 "[ . 1 . 2]" 1
60 1 8 ILE MD 1 36 ALA MB . . 2.820 1.870 1.728 1.988 . 0 0 "[ . 1 . 2]" 1
61 1 8 ILE MD 1 37 ASN H . . 4.190 3.480 3.192 4.014 . 0 0 "[ . 1 . 2]" 1
62 1 8 ILE MD 1 38 VAL QG . . 4.540 3.921 3.547 4.235 . 0 0 "[ . 1 . 2]" 1
63 1 8 ILE MD 1 83 THR HB . . 4.280 2.969 2.543 3.388 . 0 0 "[ . 1 . 2]" 1
64 1 8 ILE MD 1 84 THR H . . 4.680 2.922 2.267 3.318 . 0 0 "[ . 1 . 2]" 1
65 1 8 ILE MD 1 84 THR HB . . 5.120 4.126 3.801 4.466 . 0 0 "[ . 1 . 2]" 1
66 1 8 ILE MD 1 85 GLY H . . 5.160 4.265 3.765 4.612 . 0 0 "[ . 1 . 2]" 1
67 1 8 ILE HG12 1 8 ILE MG . . 2.960 2.295 2.163 2.392 . 0 0 "[ . 1 . 2]" 1
68 1 8 ILE HG12 1 9 MET H . . 4.780 4.290 4.173 4.462 . 0 0 "[ . 1 . 2]" 1
69 1 8 ILE HG12 1 33 GLU QB . . 4.080 2.213 1.987 3.848 . 0 0 "[ . 1 . 2]" 1
70 1 8 ILE HG12 1 33 GLU QG . . 4.000 2.124 1.903 2.479 . 0 0 "[ . 1 . 2]" 1
71 1 8 ILE HG12 1 36 ALA MB . . 4.200 3.637 3.316 3.899 . 0 0 "[ . 1 . 2]" 1
72 1 8 ILE HG13 1 8 ILE MG . . 3.450 3.187 3.174 3.200 . 0 0 "[ . 1 . 2]" 1
73 1 8 ILE HG13 1 9 MET H . . 4.930 4.892 4.817 4.934 0.004 8 0 "[ . 1 . 2]" 1
74 1 8 ILE HG13 1 33 GLU QG . . 4.440 3.191 2.831 3.495 . 0 0 "[ . 1 . 2]" 1
75 1 8 ILE HG13 1 36 ALA MB . . 4.370 4.316 4.162 4.375 0.005 13 0 "[ . 1 . 2]" 1
76 1 8 ILE MG 1 9 MET H . . 3.470 2.461 1.968 2.811 . 0 0 "[ . 1 . 2]" 1
77 1 8 ILE MG 1 9 MET HA . . 4.480 3.673 3.580 3.813 . 0 0 "[ . 1 . 2]" 1
78 1 8 ILE MG 1 9 MET HB2 . . 4.960 4.497 4.289 4.729 . 0 0 "[ . 1 . 2]" 1
79 1 8 ILE MG 1 10 VAL HA . . 4.700 3.970 3.885 4.111 . 0 0 "[ . 1 . 2]" 1
80 1 8 ILE MG 1 31 VAL HA . . 4.160 3.495 3.354 3.626 . 0 0 "[ . 1 . 2]" 1
81 1 8 ILE MG 1 31 VAL HB . . 2.910 1.929 1.839 2.119 . 0 0 "[ . 1 . 2]" 1
82 1 8 ILE MG 1 31 VAL MG1 . . 3.340 2.278 1.956 2.586 . 0 0 "[ . 1 . 2]" 1
83 1 8 ILE MG 1 32 SER H . . 3.420 2.068 1.868 2.298 . 0 0 "[ . 1 . 2]" 1
84 1 8 ILE MG 1 33 GLU H . . 3.490 2.244 1.962 2.624 . 0 0 "[ . 1 . 2]" 1
85 1 8 ILE MG 1 33 GLU QG . . 4.100 3.330 2.320 3.800 . 0 0 "[ . 1 . 2]" 1
86 1 8 ILE MG 1 36 ALA MB . . 3.070 2.887 2.192 3.070 0.000 1 0 "[ . 1 . 2]" 1
87 1 8 ILE MG 1 38 VAL QG . . 4.360 3.687 3.433 3.935 . 0 0 "[ . 1 . 2]" 1
88 1 8 ILE MG 1 83 THR HB . . 3.580 2.786 2.580 3.001 . 0 0 "[ . 1 . 2]" 1
89 1 8 ILE MG 1 84 THR H . . 4.330 4.020 3.696 4.169 . 0 0 "[ . 1 . 2]" 1
90 1 8 ILE MG 1 85 GLY H . . 4.220 4.043 3.824 4.199 . 0 0 "[ . 1 . 2]" 1
91 1 8 ILE MG 1 86 GLY H . . 5.370 5.079 4.733 5.310 . 0 0 "[ . 1 . 2]" 1
92 1 9 MET H 1 9 MET HB2 . . 3.580 2.751 2.673 2.831 . 0 0 "[ . 1 . 2]" 1
93 1 9 MET H 1 9 MET HB3 . . 3.980 3.727 3.668 3.798 . 0 0 "[ . 1 . 2]" 1
94 1 9 MET H 1 9 MET ME . . 4.730 3.201 2.810 3.516 . 0 0 "[ . 1 . 2]" 1
95 1 9 MET H 1 9 MET HG2 . . 4.050 2.282 2.080 2.536 . 0 0 "[ . 1 . 2]" 1
96 1 9 MET H 1 9 MET QG . . 3.470 2.263 2.067 2.509 . 0 0 "[ . 1 . 2]" 1
97 1 9 MET H 1 9 MET HG3 . . 4.050 3.764 3.587 3.982 . 0 0 "[ . 1 . 2]" 1
98 1 9 MET H 1 11 THR MG . . 5.070 4.708 4.614 4.891 . 0 0 "[ . 1 . 2]" 1
99 1 9 MET H 1 31 VAL HB . . 5.130 4.364 4.084 4.590 . 0 0 "[ . 1 . 2]" 1
100 1 9 MET H 1 32 SER HB2 . . 4.260 2.707 2.021 3.419 . 0 0 "[ . 1 . 2]" 1
101 1 9 MET H 1 32 SER QB . . 3.740 1.958 1.749 2.358 . 0 0 "[ . 1 . 2]" 1
102 1 9 MET H 1 32 SER HB3 . . 4.260 2.028 1.900 2.415 . 0 0 "[ . 1 . 2]" 1
103 1 9 MET H 1 32 SER HG . . 4.000 3.023 1.926 3.708 . 0 0 "[ . 1 . 2]" 1
104 1 9 MET H 1 33 GLU QG . . 5.500 4.559 4.052 5.291 . 0 0 "[ . 1 . 2]" 1
105 1 9 MET HA 1 9 MET ME . . 3.880 3.356 3.129 3.472 . 0 0 "[ . 1 . 2]" 1
106 1 9 MET HA 1 9 MET HG2 . . 3.920 3.273 3.208 3.348 . 0 0 "[ . 1 . 2]" 1
107 1 9 MET HA 1 9 MET QG . . 3.330 3.108 3.063 3.156 . 0 0 "[ . 1 . 2]" 1
108 1 9 MET HA 1 9 MET HG3 . . 3.920 3.877 3.804 3.927 0.007 16 0 "[ . 1 . 2]" 1
109 1 9 MET HA 1 10 VAL H . . 2.750 2.204 2.168 2.289 . 0 0 "[ . 1 . 2]" 1
110 1 9 MET HA 1 10 VAL HB . . 4.850 4.675 4.603 4.791 . 0 0 "[ . 1 . 2]" 1
111 1 9 MET HA 1 10 VAL QG . . 3.830 3.605 3.466 3.716 . 0 0 "[ . 1 . 2]" 1
112 1 9 MET HA 1 32 SER H . . 5.100 4.723 4.570 4.916 . 0 0 "[ . 1 . 2]" 1
113 1 9 MET HA 1 83 THR MG . . 5.230 5.022 4.707 5.219 . 0 0 "[ . 1 . 2]" 1
114 1 9 MET HA 1 85 GLY H . . 5.280 4.962 4.523 5.140 . 0 0 "[ . 1 . 2]" 1
115 1 9 MET HA 1 85 GLY HA3 . . 5.160 4.907 4.726 5.070 . 0 0 "[ . 1 . 2]" 1
116 1 9 MET HA 1 86 GLY HA2 . . 4.370 3.620 3.192 3.879 . 0 0 "[ . 1 . 2]" 1
117 1 9 MET HA 1 86 GLY HA3 . . 4.370 2.752 2.487 2.972 . 0 0 "[ . 1 . 2]" 1
118 1 9 MET HB2 1 10 VAL H . . 4.020 3.839 3.617 3.981 . 0 0 "[ . 1 . 2]" 1
119 1 9 MET HB2 1 11 THR MG . . 3.860 3.591 3.551 3.650 . 0 0 "[ . 1 . 2]" 1
120 1 9 MET HB2 1 32 SER H . . 4.650 4.268 4.031 4.535 . 0 0 "[ . 1 . 2]" 1
121 1 9 MET HB2 1 32 SER HA . . 4.940 4.644 4.371 4.902 . 0 0 "[ . 1 . 2]" 1
122 1 9 MET HB2 1 32 SER HB2 . . 4.300 2.980 2.188 4.223 . 0 0 "[ . 1 . 2]" 1
123 1 9 MET HB2 1 32 SER QB . . 3.600 2.459 2.170 2.751 . 0 0 "[ . 1 . 2]" 1
124 1 9 MET HB2 1 32 SER HB3 . . 4.300 3.287 2.260 3.913 . 0 0 "[ . 1 . 2]" 1
125 1 9 MET HB3 1 10 VAL H . . 3.410 3.075 2.797 3.217 . 0 0 "[ . 1 . 2]" 1
126 1 9 MET HB3 1 11 THR MG . . 4.850 4.640 4.429 4.813 . 0 0 "[ . 1 . 2]" 1
127 1 9 MET HB3 1 32 SER QB . . 4.280 4.030 3.766 4.283 0.003 9 0 "[ . 1 . 2]" 1
128 1 9 MET ME 1 10 VAL H . . 5.300 5.219 5.031 5.301 0.001 13 0 "[ . 1 . 2]" 1
129 1 9 MET ME 1 32 SER QB . . 4.940 4.201 3.939 4.562 . 0 0 "[ . 1 . 2]" 1
130 1 9 MET ME 1 85 GLY HA2 . . 4.280 3.580 3.152 3.769 . 0 0 "[ . 1 . 2]" 1
131 1 9 MET ME 1 85 GLY HA3 . . 4.370 2.278 2.025 2.451 . 0 0 "[ . 1 . 2]" 1
132 1 9 MET ME 1 86 GLY QA . . 4.730 4.055 3.874 4.218 . 0 0 "[ . 1 . 2]" 1
133 1 9 MET HG2 1 10 VAL H . . 5.500 5.152 5.052 5.199 . 0 0 "[ . 1 . 2]" 1
134 1 9 MET HG2 1 11 THR MG . . 5.500 5.466 5.378 5.506 0.006 19 0 "[ . 1 . 2]" 1
135 1 9 MET HG3 1 10 VAL H . . 5.500 5.363 5.170 5.482 . 0 0 "[ . 1 . 2]" 1
136 1 9 MET HG3 1 11 THR MG . . 5.500 5.457 5.354 5.499 . 0 0 "[ . 1 . 2]" 1
137 1 10 VAL H 1 10 VAL HB . . 3.180 2.533 2.437 3.010 . 0 0 "[ . 1 . 2]" 1
138 1 10 VAL H 1 10 VAL MG1 . . 3.870 3.579 1.831 3.788 . 0 0 "[ . 1 . 2]" 1
139 1 10 VAL H 1 10 VAL QG . . 2.970 2.308 1.827 2.495 . 0 0 "[ . 1 . 2]" 1
140 1 10 VAL H 1 10 VAL MG2 . . 3.870 2.516 2.189 3.705 . 0 0 "[ . 1 . 2]" 1
141 1 10 VAL H 1 86 GLY QA . . 4.510 2.886 2.511 3.027 . 0 0 "[ . 1 . 2]" 1
142 1 10 VAL HA 1 10 VAL MG1 . . 3.350 2.449 2.285 3.174 . 0 0 "[ . 1 . 2]" 1
143 1 10 VAL HA 1 10 VAL QG . . 2.870 2.106 2.040 2.405 . 0 0 "[ . 1 . 2]" 1
144 1 10 VAL HA 1 10 VAL MG2 . . 3.350 2.312 2.232 2.491 . 0 0 "[ . 1 . 2]" 1
145 1 10 VAL HA 1 11 THR H . . 2.920 2.190 2.175 2.201 . 0 0 "[ . 1 . 2]" 1
146 1 10 VAL HA 1 11 THR MG . . 4.320 3.851 3.679 4.017 . 0 0 "[ . 1 . 2]" 1
147 1 10 VAL HA 1 12 LYS H . . 4.190 3.792 3.615 3.977 . 0 0 "[ . 1 . 2]" 1
148 1 10 VAL HA 1 31 VAL HA . . 3.060 2.115 2.000 2.251 . 0 0 "[ . 1 . 2]" 1
149 1 10 VAL HA 1 31 VAL HB . . 4.310 4.017 3.801 4.231 . 0 0 "[ . 1 . 2]" 1
150 1 10 VAL HA 1 31 VAL MG1 . . 3.160 2.654 2.511 2.865 . 0 0 "[ . 1 . 2]" 1
151 1 10 VAL HA 1 32 SER H . . 4.070 3.850 3.623 4.001 . 0 0 "[ . 1 . 2]" 1
152 1 10 VAL HB 1 11 THR H . . 4.670 4.431 4.347 4.462 . 0 0 "[ . 1 . 2]" 1
153 1 10 VAL HB 1 13 GLN HE21 . . 4.930 2.928 1.905 4.720 . 0 0 "[ . 1 . 2]" 1
154 1 10 VAL HB 1 13 GLN QE . . 4.090 2.655 1.807 3.906 . 0 0 "[ . 1 . 2]" 1
155 1 10 VAL HB 1 13 GLN HE22 . . 4.930 3.292 2.229 4.931 0.001 1 0 "[ . 1 . 2]" 1
156 1 10 VAL HB 1 31 VAL HA . . 5.270 5.023 3.948 5.271 0.001 13 0 "[ . 1 . 2]" 1
157 1 10 VAL HB 1 87 GLN H . . 4.570 4.069 3.846 4.570 0.000 9 0 "[ . 1 . 2]" 1
158 1 10 VAL HB 1 88 SER HB2 . . 4.400 3.614 3.389 4.131 . 0 0 "[ . 1 . 2]" 1
159 1 10 VAL HB 1 88 SER HB3 . . 5.500 5.197 4.715 5.401 . 0 0 "[ . 1 . 2]" 1
160 1 10 VAL QG 1 11 THR H . . 3.410 3.074 3.000 3.191 . 0 0 "[ . 1 . 2]" 1
161 1 10 VAL QG 1 11 THR HA . . 4.690 4.128 3.849 4.248 . 0 0 "[ . 1 . 2]" 1
162 1 10 VAL QG 1 12 LYS H . . 3.290 2.669 2.371 2.976 . 0 0 "[ . 1 . 2]" 1
163 1 10 VAL QG 1 12 LYS HA . . 4.780 3.922 3.811 4.022 . 0 0 "[ . 1 . 2]" 1
164 1 10 VAL QG 1 12 LYS QB . . 4.640 3.737 3.594 3.876 . 0 0 "[ . 1 . 2]" 1
165 1 10 VAL QG 1 13 GLN H . . 4.420 3.365 3.096 3.714 . 0 0 "[ . 1 . 2]" 1
166 1 10 VAL QG 1 13 GLN HA . . 3.050 2.189 2.004 2.459 . 0 0 "[ . 1 . 2]" 1
167 1 10 VAL QG 1 13 GLN HB2 . . 4.950 4.296 4.074 4.586 . 0 0 "[ . 1 . 2]" 1
168 1 10 VAL QG 1 13 GLN HB3 . . 4.740 3.877 3.708 4.068 . 0 0 "[ . 1 . 2]" 1
169 1 10 VAL QG 1 13 GLN QE . . 3.990 2.615 1.644 3.434 . 0 0 "[ . 1 . 2]" 1
170 1 10 VAL QG 1 13 GLN HG2 . . 3.890 2.721 2.320 3.009 . 0 0 "[ . 1 . 2]" 1
171 1 10 VAL QG 1 13 GLN HG3 . . 4.230 4.031 3.670 4.230 . 0 0 "[ . 1 . 2]" 1
172 1 10 VAL QG 1 14 LEU H . . 4.000 3.718 3.560 3.864 . 0 0 "[ . 1 . 2]" 1
173 1 10 VAL QG 1 29 CYS HA . . 4.940 4.503 4.368 4.688 . 0 0 "[ . 1 . 2]" 1
174 1 10 VAL QG 1 29 CYS HB2 . . 3.780 3.045 2.939 3.188 . 0 0 "[ . 1 . 2]" 1
175 1 10 VAL QG 1 29 CYS HB3 . . 4.660 4.208 3.799 4.413 . 0 0 "[ . 1 . 2]" 1
176 1 10 VAL QG 1 30 GLU H . . 3.770 3.190 2.995 3.438 . 0 0 "[ . 1 . 2]" 1
177 1 10 VAL QG 1 31 VAL HA . . 3.890 3.252 3.059 3.600 . 0 0 "[ . 1 . 2]" 1
178 1 10 VAL QG 1 81 VAL MG1 . . 4.680 4.021 3.884 4.240 . 0 0 "[ . 1 . 2]" 1
179 1 10 VAL QG 1 81 VAL MG2 . . 3.340 2.565 2.362 2.963 . 0 0 "[ . 1 . 2]" 1
180 1 10 VAL QG 1 82 MET HA . . 5.090 4.722 4.390 5.035 . 0 0 "[ . 1 . 2]" 1
181 1 10 VAL QG 1 83 THR H . . 4.490 4.236 3.861 4.492 0.002 9 0 "[ . 1 . 2]" 1
182 1 10 VAL QG 1 86 GLY H . . 4.960 4.596 4.393 4.726 . 0 0 "[ . 1 . 2]" 1
183 1 10 VAL QG 1 86 GLY QA . . 3.380 2.558 2.380 2.741 . 0 0 "[ . 1 . 2]" 1
184 1 10 VAL QG 1 87 GLN H . . 3.750 2.840 2.298 3.122 . 0 0 "[ . 1 . 2]" 1
185 1 10 VAL QG 1 87 GLN HA . . 3.820 3.387 3.211 3.572 . 0 0 "[ . 1 . 2]" 1
186 1 10 VAL QG 1 88 SER H . . 3.950 3.793 3.618 3.915 . 0 0 "[ . 1 . 2]" 1
187 1 10 VAL QG 1 88 SER HB2 . . 3.010 2.263 2.019 2.502 . 0 0 "[ . 1 . 2]" 1
188 1 10 VAL QG 1 88 SER HG . . 4.100 3.063 2.457 3.651 . 0 0 "[ . 1 . 2]" 1
189 1 10 VAL MG1 1 11 THR H . . 4.550 3.274 3.074 4.298 . 0 0 "[ . 1 . 2]" 1
190 1 10 VAL MG1 1 31 VAL HA . . 5.180 3.728 3.382 4.881 . 0 0 "[ . 1 . 2]" 1
191 1 10 VAL MG1 1 88 SER H . . 5.120 4.904 3.951 5.122 0.002 11 0 "[ . 1 . 2]" 1
192 1 10 VAL MG1 1 88 SER HB2 . . 3.450 2.481 2.116 2.694 . 0 0 "[ . 1 . 2]" 1
193 1 10 VAL MG1 1 88 SER HB3 . . 3.730 3.556 3.367 3.715 . 0 0 "[ . 1 . 2]" 1
194 1 10 VAL MG1 1 88 SER HG . . 4.870 3.187 2.486 4.316 . 0 0 "[ . 1 . 2]" 1
195 1 10 VAL MG2 1 11 THR H . . 4.550 4.079 3.178 4.212 . 0 0 "[ . 1 . 2]" 1
196 1 10 VAL MG2 1 31 VAL HA . . 5.180 3.626 3.415 3.741 . 0 0 "[ . 1 . 2]" 1
197 1 10 VAL MG2 1 88 SER H . . 5.120 4.033 3.729 5.117 . 0 0 "[ . 1 . 2]" 1
198 1 10 VAL MG2 1 88 SER HB2 . . 3.450 2.637 2.356 2.972 . 0 0 "[ . 1 . 2]" 1
199 1 10 VAL MG2 1 88 SER HB3 . . 3.730 3.630 3.418 3.730 0.000 14 0 "[ . 1 . 2]" 1
200 1 10 VAL MG2 1 88 SER HG . . 4.870 4.238 3.278 4.858 . 0 0 "[ . 1 . 2]" 1
201 1 11 THR H 1 11 THR MG . . 3.260 2.186 1.973 2.382 . 0 0 "[ . 1 . 2]" 1
202 1 11 THR H 1 12 LYS H . . 2.820 2.678 2.608 2.745 . 0 0 "[ . 1 . 2]" 1
203 1 11 THR H 1 12 LYS QB . . 4.690 4.674 4.626 4.700 0.010 20 0 "[ . 1 . 2]" 1
204 1 11 THR H 1 30 GLU H . . 5.120 4.801 4.612 5.024 . 0 0 "[ . 1 . 2]" 1
205 1 11 THR H 1 31 VAL HA . . 3.040 2.265 2.119 2.427 . 0 0 "[ . 1 . 2]" 1
206 1 11 THR H 1 31 VAL HB . . 5.080 4.637 4.476 4.794 . 0 0 "[ . 1 . 2]" 1
207 1 11 THR H 1 31 VAL MG1 . . 4.140 3.895 3.765 4.044 . 0 0 "[ . 1 . 2]" 1
208 1 11 THR H 1 32 SER H . . 3.960 3.867 3.666 3.962 0.002 13 0 "[ . 1 . 2]" 1
209 1 11 THR H 1 32 SER HA . . 5.370 4.496 4.251 4.751 . 0 0 "[ . 1 . 2]" 1
210 1 11 THR HA 1 11 THR HB . . 2.910 2.423 2.352 2.478 . 0 0 "[ . 1 . 2]" 1
211 1 11 THR HA 1 11 THR MG . . 2.800 2.388 2.301 2.493 . 0 0 "[ . 1 . 2]" 1
212 1 11 THR HB 1 12 LYS H . . 4.480 3.681 3.565 3.820 . 0 0 "[ . 1 . 2]" 1
213 1 11 THR HG1 1 12 LYS H . . 5.130 2.657 1.898 3.511 . 0 0 "[ . 1 . 2]" 1
214 1 11 THR MG 1 12 LYS H . . 3.990 3.769 3.519 3.936 . 0 0 "[ . 1 . 2]" 1
215 1 11 THR MG 1 31 VAL HA . . 3.780 3.288 3.092 3.520 . 0 0 "[ . 1 . 2]" 1
216 1 11 THR MG 1 32 SER H . . 3.670 3.516 3.194 3.671 0.001 12 0 "[ . 1 . 2]" 1
217 1 11 THR MG 1 32 SER HA . . 3.180 2.500 2.324 2.730 . 0 0 "[ . 1 . 2]" 1
218 1 11 THR MG 1 32 SER QB . . 3.250 3.087 2.791 3.249 . 0 0 "[ . 1 . 2]" 1
219 1 11 THR MG 1 33 GLU H . . 5.230 4.916 4.731 5.116 . 0 0 "[ . 1 . 2]" 1
220 1 12 LYS H 1 12 LYS QB . . 3.170 2.437 2.350 2.498 . 0 0 "[ . 1 . 2]" 1
221 1 12 LYS H 1 12 LYS HG2 . . 4.710 4.503 4.366 4.579 . 0 0 "[ . 1 . 2]" 1
222 1 12 LYS H 1 12 LYS HG3 . . 4.710 4.630 4.495 4.721 0.011 11 0 "[ . 1 . 2]" 1
223 1 12 LYS H 1 13 GLN H . . 4.520 4.111 3.979 4.282 . 0 0 "[ . 1 . 2]" 1
224 1 12 LYS H 1 13 GLN HA . . 5.350 4.840 4.712 5.016 . 0 0 "[ . 1 . 2]" 1
225 1 12 LYS H 1 29 CYS HA . . 5.360 4.975 4.759 5.172 . 0 0 "[ . 1 . 2]" 1
226 1 12 LYS H 1 29 CYS HB2 . . 5.040 4.697 4.501 4.903 . 0 0 "[ . 1 . 2]" 1
227 1 12 LYS H 1 30 GLU H . . 3.250 2.892 2.732 3.086 . 0 0 "[ . 1 . 2]" 1
228 1 12 LYS H 1 30 GLU HA . . 5.130 4.536 4.383 4.659 . 0 0 "[ . 1 . 2]" 1
229 1 12 LYS H 1 30 GLU HB2 . . 3.720 2.740 2.602 2.812 . 0 0 "[ . 1 . 2]" 1
230 1 12 LYS H 1 30 GLU HB3 . . 3.850 3.381 3.266 3.538 . 0 0 "[ . 1 . 2]" 1
231 1 12 LYS H 1 30 GLU HG2 . . 5.500 5.469 5.329 5.504 0.004 11 0 "[ . 1 . 2]" 1
232 1 12 LYS H 1 30 GLU HG3 . . 5.470 5.082 4.934 5.191 . 0 0 "[ . 1 . 2]" 1
233 1 12 LYS H 1 31 VAL HA . . 4.270 4.025 3.888 4.169 . 0 0 "[ . 1 . 2]" 1
234 1 12 LYS H 1 31 VAL MG1 . . 5.130 4.809 4.698 5.046 . 0 0 "[ . 1 . 2]" 1
235 1 12 LYS HA 1 12 LYS HD2 . . 5.280 4.400 4.213 4.606 . 0 0 "[ . 1 . 2]" 1
236 1 12 LYS HA 1 12 LYS QD . . 4.630 4.009 3.854 4.216 . 0 0 "[ . 1 . 2]" 1
237 1 12 LYS HA 1 12 LYS HD3 . . 5.280 4.629 4.214 4.942 . 0 0 "[ . 1 . 2]" 1
238 1 12 LYS HA 1 12 LYS QE . . 5.320 4.716 3.976 5.030 . 0 0 "[ . 1 . 2]" 1
239 1 12 LYS HA 1 12 LYS HG2 . . 3.610 3.019 2.761 3.201 . 0 0 "[ . 1 . 2]" 1
240 1 12 LYS HA 1 12 LYS QG . . 3.100 2.400 2.313 2.495 . 0 0 "[ . 1 . 2]" 1
241 1 12 LYS HA 1 12 LYS HG3 . . 3.610 2.527 2.388 2.663 . 0 0 "[ . 1 . 2]" 1
242 1 12 LYS HA 1 13 GLN H . . 2.650 2.184 2.141 2.222 . 0 0 "[ . 1 . 2]" 1
243 1 12 LYS HA 1 13 GLN HA . . 4.660 4.445 4.388 4.480 . 0 0 "[ . 1 . 2]" 1
244 1 12 LYS HA 1 13 GLN HB2 . . 4.700 4.606 4.491 4.726 0.026 6 0 "[ . 1 . 2]" 1
245 1 12 LYS HA 1 13 GLN HG2 . . 4.420 4.172 3.904 4.428 0.008 6 0 "[ . 1 . 2]" 1
246 1 12 LYS HA 1 13 GLN HG3 . . 5.490 5.124 4.082 5.499 0.009 11 0 "[ . 1 . 2]" 1
247 1 12 LYS QB 1 12 LYS QE . . 4.520 3.289 2.100 3.632 . 0 0 "[ . 1 . 2]" 1
248 1 12 LYS QB 1 13 GLN H . . 4.050 3.947 3.824 4.004 . 0 0 "[ . 1 . 2]" 1
249 1 12 LYS QB 1 29 CYS HA . . 3.920 2.827 2.616 2.989 . 0 0 "[ . 1 . 2]" 1
250 1 12 LYS QB 1 29 CYS HB2 . . 5.000 3.785 3.506 4.116 . 0 0 "[ . 1 . 2]" 1
251 1 12 LYS QB 1 29 CYS HB3 . . 5.410 4.759 4.484 4.985 . 0 0 "[ . 1 . 2]" 1
252 1 12 LYS QB 1 30 GLU H . . 3.180 1.919 1.888 2.058 . 0 0 "[ . 1 . 2]" 1
253 1 12 LYS QB 1 30 GLU HA . . 4.520 3.942 3.822 4.063 . 0 0 "[ . 1 . 2]" 1
254 1 12 LYS QB 1 30 GLU HB2 . . 3.100 1.856 1.780 1.927 . 0 0 "[ . 1 . 2]" 1
255 1 12 LYS QB 1 30 GLU HB3 . . 3.460 3.281 3.161 3.430 . 0 0 "[ . 1 . 2]" 1
256 1 12 LYS QB 1 30 GLU HG2 . . 4.620 4.274 4.180 4.378 . 0 0 "[ . 1 . 2]" 1
257 1 12 LYS QB 1 30 GLU HG3 . . 3.580 3.269 3.086 3.428 . 0 0 "[ . 1 . 2]" 1
258 1 12 LYS QD 1 29 CYS HA . . 4.100 2.892 2.276 4.101 0.001 17 0 "[ . 1 . 2]" 1
259 1 12 LYS QD 1 30 GLU HA . . 5.340 4.849 4.580 5.339 . 0 0 "[ . 1 . 2]" 1
260 1 12 LYS QD 1 30 GLU HG2 . . 5.220 4.561 4.293 4.823 . 0 0 "[ . 1 . 2]" 1
261 1 12 LYS QD 1 30 GLU HG3 . . 3.690 3.053 2.825 3.339 . 0 0 "[ . 1 . 2]" 1
262 1 12 LYS HD2 1 29 CYS HA . . 4.910 4.277 2.578 4.896 . 0 0 "[ . 1 . 2]" 1
263 1 12 LYS HD3 1 29 CYS HA . . 4.910 3.065 2.292 4.420 . 0 0 "[ . 1 . 2]" 1
264 1 12 LYS QE 1 28 GLU QB . . 5.040 3.868 3.089 5.008 . 0 0 "[ . 1 . 2]" 1
265 1 12 LYS QE 1 29 CYS HA . . 4.390 3.767 1.996 4.392 0.002 13 0 "[ . 1 . 2]" 1
266 1 12 LYS QE 1 30 GLU H . . 5.390 4.912 3.081 5.395 0.005 11 0 "[ . 1 . 2]" 1
267 1 12 LYS QE 1 30 GLU HG3 . . 5.090 4.459 2.913 5.089 . 0 0 "[ . 1 . 2]" 1
268 1 12 LYS QG 1 29 CYS HA . . 4.500 3.161 2.433 3.593 . 0 0 "[ . 1 . 2]" 1
269 1 12 LYS QG 1 30 GLU H . . 4.150 3.711 3.457 3.981 . 0 0 "[ . 1 . 2]" 1
270 1 12 LYS HG2 1 13 GLN H . . 4.020 3.708 3.245 3.995 . 0 0 "[ . 1 . 2]" 1
271 1 12 LYS HG2 1 30 GLU H . . 5.000 3.854 3.559 4.184 . 0 0 "[ . 1 . 2]" 1
272 1 12 LYS HG3 1 13 GLN H . . 4.020 3.895 3.232 4.014 . 0 0 "[ . 1 . 2]" 1
273 1 12 LYS HG3 1 30 GLU H . . 5.000 4.845 4.693 4.989 . 0 0 "[ . 1 . 2]" 1
274 1 13 GLN H 1 13 GLN HB2 . . 3.140 2.499 2.367 2.593 . 0 0 "[ . 1 . 2]" 1
275 1 13 GLN H 1 13 GLN HB3 . . 3.710 3.599 3.579 3.648 . 0 0 "[ . 1 . 2]" 1
276 1 13 GLN H 1 13 GLN HG2 . . 3.090 2.412 1.994 3.031 . 0 0 "[ . 1 . 2]" 1
277 1 13 GLN H 1 13 GLN HG3 . . 3.550 3.182 2.410 3.456 . 0 0 "[ . 1 . 2]" 1
278 1 13 GLN H 1 14 LEU H . . 4.890 4.622 4.585 4.639 . 0 0 "[ . 1 . 2]" 1
279 1 13 GLN HA 1 13 GLN QE . . 5.340 3.606 2.736 4.357 . 0 0 "[ . 1 . 2]" 1
280 1 13 GLN HA 1 13 GLN HG2 . . 3.630 2.706 2.493 3.038 . 0 0 "[ . 1 . 2]" 1
281 1 13 GLN HA 1 13 GLN HG3 . . 3.790 3.732 3.520 3.819 0.029 11 0 "[ . 1 . 2]" 1
282 1 13 GLN HA 1 14 LEU H . . 2.930 2.332 2.242 2.477 . 0 0 "[ . 1 . 2]" 1
283 1 13 GLN HA 1 14 LEU HA . . 4.460 4.304 4.299 4.316 . 0 0 "[ . 1 . 2]" 1
284 1 13 GLN HA 1 14 LEU HB2 . . 4.910 4.840 4.745 4.910 0.000 10 0 "[ . 1 . 2]" 1
285 1 13 GLN HA 1 14 LEU MD1 . . 5.500 4.976 4.739 5.122 . 0 0 "[ . 1 . 2]" 1
286 1 13 GLN HA 1 14 LEU MD2 . . 4.960 4.681 4.449 4.912 . 0 0 "[ . 1 . 2]" 1
287 1 13 GLN HA 1 14 LEU HG . . 4.270 3.807 3.648 3.920 . 0 0 "[ . 1 . 2]" 1
288 1 13 GLN HA 1 29 CYS HB2 . . 4.720 4.159 3.962 4.585 . 0 0 "[ . 1 . 2]" 1
289 1 13 GLN HA 1 29 CYS HB3 . . 5.500 4.919 4.367 5.201 . 0 0 "[ . 1 . 2]" 1
290 1 13 GLN HA 1 88 SER HB3 . . 4.200 4.131 4.009 4.202 0.002 11 0 "[ . 1 . 2]" 1
291 1 13 GLN HA 1 88 SER HG . . 3.870 2.346 2.007 3.085 . 0 0 "[ . 1 . 2]" 1
292 1 13 GLN HB2 1 14 LEU H . . 4.010 3.739 3.475 3.893 . 0 0 "[ . 1 . 2]" 1
293 1 13 GLN HB2 1 88 SER HG . . 4.310 3.847 3.628 4.212 . 0 0 "[ . 1 . 2]" 1
294 1 13 GLN HB3 1 14 LEU H . . 3.540 2.617 2.272 2.886 . 0 0 "[ . 1 . 2]" 1
295 1 13 GLN HB3 1 14 LEU HB2 . . 5.060 4.443 4.272 4.646 . 0 0 "[ . 1 . 2]" 1
296 1 13 GLN HB3 1 88 SER HB2 . . 5.140 4.223 3.869 4.747 . 0 0 "[ . 1 . 2]" 1
297 1 13 GLN HB3 1 88 SER HB3 . . 5.410 4.889 4.733 5.101 . 0 0 "[ . 1 . 2]" 1
298 1 13 GLN HB3 1 88 SER HG . . 4.000 2.255 2.022 2.641 . 0 0 "[ . 1 . 2]" 1
299 1 13 GLN HB3 1 89 SER H . . 5.160 4.071 3.781 4.458 . 0 0 "[ . 1 . 2]" 1
300 1 13 GLN QE 1 88 SER HB2 . . 5.340 3.254 2.407 3.948 . 0 0 "[ . 1 . 2]" 1
301 1 13 GLN QE 1 88 SER HG . . 5.230 3.317 1.895 3.905 . 0 0 "[ . 1 . 2]" 1
302 1 13 GLN HG2 1 14 LEU H . . 4.930 4.633 4.402 4.910 . 0 0 "[ . 1 . 2]" 1
303 1 13 GLN HG2 1 88 SER HB2 . . 5.500 4.647 3.895 5.445 . 0 0 "[ . 1 . 2]" 1
304 1 13 GLN HG2 1 88 SER HG . . 4.750 3.732 3.061 4.355 . 0 0 "[ . 1 . 2]" 1
305 1 13 GLN HG3 1 14 LEU H . . 5.330 5.060 4.816 5.264 . 0 0 "[ . 1 . 2]" 1
306 1 13 GLN HG3 1 88 SER HG . . 4.680 4.156 3.928 4.676 . 0 0 "[ . 1 . 2]" 1
307 1 14 LEU H 1 14 LEU HB2 . . 3.330 2.516 2.421 2.623 . 0 0 "[ . 1 . 2]" 1
308 1 14 LEU H 1 14 LEU HB3 . . 3.670 3.587 3.581 3.595 . 0 0 "[ . 1 . 2]" 1
309 1 14 LEU H 1 14 LEU MD1 . . 4.020 3.397 3.191 3.581 . 0 0 "[ . 1 . 2]" 1
310 1 14 LEU H 1 14 LEU MD2 . . 4.040 3.501 3.337 3.653 . 0 0 "[ . 1 . 2]" 1
311 1 14 LEU H 1 14 LEU HG . . 3.350 2.196 2.002 2.450 . 0 0 "[ . 1 . 2]" 1
312 1 14 LEU H 1 15 GLU H . . 4.830 4.630 4.585 4.644 . 0 0 "[ . 1 . 2]" 1
313 1 14 LEU H 1 29 CYS HB2 . . 5.280 4.665 4.340 5.038 . 0 0 "[ . 1 . 2]" 1
314 1 14 LEU H 1 29 CYS HB3 . . 4.880 4.599 4.115 4.884 0.004 2 0 "[ . 1 . 2]" 1
315 1 14 LEU H 1 88 SER HB2 . . 4.260 3.655 3.373 3.944 . 0 0 "[ . 1 . 2]" 1
316 1 14 LEU H 1 88 SER HB3 . . 4.020 3.450 3.253 3.733 . 0 0 "[ . 1 . 2]" 1
317 1 14 LEU H 1 88 SER HG . . 3.570 2.186 1.899 2.636 . 0 0 "[ . 1 . 2]" 1
318 1 14 LEU H 1 89 SER H . . 4.490 3.907 3.708 4.139 . 0 0 "[ . 1 . 2]" 1
319 1 14 LEU H 1 90 ALA MB . . 4.470 4.239 4.071 4.352 . 0 0 "[ . 1 . 2]" 1
320 1 14 LEU HA 1 14 LEU MD1 . . 4.110 3.924 3.897 3.964 . 0 0 "[ . 1 . 2]" 1
321 1 14 LEU HA 1 14 LEU MD2 . . 2.940 2.223 2.003 2.479 . 0 0 "[ . 1 . 2]" 1
322 1 14 LEU HA 1 14 LEU HG . . 3.580 2.993 2.895 3.079 . 0 0 "[ . 1 . 2]" 1
323 1 14 LEU HA 1 15 GLU H . . 2.680 2.297 2.186 2.468 . 0 0 "[ . 1 . 2]" 1
324 1 14 LEU HA 1 15 GLU QB . . 4.370 4.262 4.122 4.373 0.003 17 0 "[ . 1 . 2]" 1
325 1 14 LEU HA 1 15 GLU QG . . 4.450 3.809 3.593 4.290 . 0 0 "[ . 1 . 2]" 1
326 1 14 LEU HA 1 29 CYS HB2 . . 5.310 4.593 4.152 5.000 . 0 0 "[ . 1 . 2]" 1
327 1 14 LEU HA 1 29 CYS HB3 . . 4.440 3.703 3.299 3.938 . 0 0 "[ . 1 . 2]" 1
328 1 14 LEU HA 1 90 ALA MB . . 4.140 3.871 3.740 4.042 . 0 0 "[ . 1 . 2]" 1
329 1 14 LEU HB2 1 14 LEU MD1 . . 3.610 2.174 2.040 2.313 . 0 0 "[ . 1 . 2]" 1
330 1 14 LEU HB2 1 15 GLU H . . 4.170 3.797 3.483 4.102 . 0 0 "[ . 1 . 2]" 1
331 1 14 LEU HB2 1 88 SER HB2 . . 5.500 5.231 4.881 5.498 . 0 0 "[ . 1 . 2]" 1
332 1 14 LEU HB2 1 89 SER H . . 4.680 3.746 3.533 3.966 . 0 0 "[ . 1 . 2]" 1
333 1 14 LEU HB2 1 89 SER HA . . 5.000 4.258 4.106 4.412 . 0 0 "[ . 1 . 2]" 1
334 1 14 LEU HB2 1 90 ALA H . . 4.760 4.157 4.008 4.411 . 0 0 "[ . 1 . 2]" 1
335 1 14 LEU HB2 1 90 ALA HA . . 4.610 3.701 3.462 4.053 . 0 0 "[ . 1 . 2]" 1
336 1 14 LEU HB3 1 15 GLU H . . 3.510 2.698 2.273 3.074 . 0 0 "[ . 1 . 2]" 1
337 1 14 LEU MD1 1 15 GLU H . . 5.020 4.761 4.397 5.023 0.003 17 0 "[ . 1 . 2]" 1
338 1 14 LEU MD1 1 27 LEU MD1 . . 4.150 3.189 2.742 3.443 . 0 0 "[ . 1 . 2]" 1
339 1 14 LEU MD1 1 40 TRP HH2 . . 4.490 4.099 3.837 4.493 0.003 8 0 "[ . 1 . 2]" 1
340 1 14 LEU MD1 1 40 TRP HZ3 . . 3.770 2.658 2.365 2.959 . 0 0 "[ . 1 . 2]" 1
341 1 14 LEU MD1 1 41 PHE H . . 5.500 5.356 5.173 5.503 0.003 7 0 "[ . 1 . 2]" 1
342 1 14 LEU MD1 1 79 TYR H . . 5.210 4.724 4.401 4.929 . 0 0 "[ . 1 . 2]" 1
343 1 14 LEU MD1 1 79 TYR HA . . 5.010 4.855 4.646 5.002 . 0 0 "[ . 1 . 2]" 1
344 1 14 LEU MD1 1 79 TYR HB2 . . 4.310 3.604 3.293 3.860 . 0 0 "[ . 1 . 2]" 1
345 1 14 LEU MD1 1 79 TYR HB3 . . 4.530 3.633 3.417 3.934 . 0 0 "[ . 1 . 2]" 1
346 1 14 LEU MD1 1 80 SER H . . 4.900 4.516 4.251 4.707 . 0 0 "[ . 1 . 2]" 1
347 1 14 LEU MD1 1 80 SER HA . . 3.400 2.735 2.422 2.897 . 0 0 "[ . 1 . 2]" 1
348 1 14 LEU MD1 1 80 SER QB . . 4.630 4.304 4.045 4.485 . 0 0 "[ . 1 . 2]" 1
349 1 14 LEU MD1 1 81 VAL H . . 3.630 2.761 2.431 3.025 . 0 0 "[ . 1 . 2]" 1
350 1 14 LEU MD1 1 81 VAL MG1 . . 3.300 1.929 1.741 2.062 . 0 0 "[ . 1 . 2]" 1
351 1 14 LEU MD1 1 81 VAL MG2 . . 3.560 3.219 2.866 3.443 . 0 0 "[ . 1 . 2]" 1
352 1 14 LEU MD1 1 88 SER H . . 4.620 4.342 3.978 4.599 . 0 0 "[ . 1 . 2]" 1
353 1 14 LEU MD1 1 88 SER HB2 . . 5.500 3.996 3.635 4.251 . 0 0 "[ . 1 . 2]" 1
354 1 14 LEU MD1 1 88 SER HB3 . . 4.010 2.507 2.037 2.989 . 0 0 "[ . 1 . 2]" 1
355 1 14 LEU MD1 1 89 SER H . . 4.420 3.499 3.245 3.810 . 0 0 "[ . 1 . 2]" 1
356 1 14 LEU MD1 1 89 SER HA . . 3.310 2.861 2.499 3.085 . 0 0 "[ . 1 . 2]" 1
357 1 14 LEU MD1 1 89 SER QB . . 5.060 4.313 4.071 4.471 . 0 0 "[ . 1 . 2]" 1
358 1 14 LEU MD1 1 90 ALA H . . 3.580 3.151 2.848 3.363 . 0 0 "[ . 1 . 2]" 1
359 1 14 LEU MD2 1 15 GLU H . . 3.640 3.421 3.160 3.634 . 0 0 "[ . 1 . 2]" 1
360 1 14 LEU MD2 1 27 LEU HA . . 4.200 3.911 3.584 4.197 . 0 0 "[ . 1 . 2]" 1
361 1 14 LEU MD2 1 27 LEU HB2 . . 3.760 3.272 3.022 3.628 . 0 0 "[ . 1 . 2]" 1
362 1 14 LEU MD2 1 27 LEU HB3 . . 3.510 2.238 1.972 2.453 . 0 0 "[ . 1 . 2]" 1
363 1 14 LEU MD2 1 27 LEU MD1 . . 3.930 3.008 2.722 3.237 . 0 0 "[ . 1 . 2]" 1
364 1 14 LEU MD2 1 28 GLU H . . 4.330 3.957 3.613 4.146 . 0 0 "[ . 1 . 2]" 1
365 1 14 LEU MD2 1 28 GLU HA . . 4.640 4.426 4.195 4.640 . 0 0 "[ . 1 . 2]" 1
366 1 14 LEU MD2 1 28 GLU QB . . 5.210 4.843 4.617 5.026 . 0 0 "[ . 1 . 2]" 1
367 1 14 LEU MD2 1 29 CYS H . . 4.670 4.473 4.343 4.610 . 0 0 "[ . 1 . 2]" 1
368 1 14 LEU MD2 1 29 CYS HA . . 4.060 3.897 3.663 4.046 . 0 0 "[ . 1 . 2]" 1
369 1 14 LEU MD2 1 29 CYS HB2 . . 3.630 3.268 3.091 3.483 . 0 0 "[ . 1 . 2]" 1
370 1 14 LEU MD2 1 29 CYS HB3 . . 3.200 2.037 1.942 2.164 . 0 0 "[ . 1 . 2]" 1
371 1 14 LEU MD2 1 30 GLU H . . 5.300 5.183 4.993 5.288 . 0 0 "[ . 1 . 2]" 1
372 1 14 LEU MD2 1 40 TRP HH2 . . 3.370 2.473 2.216 2.652 . 0 0 "[ . 1 . 2]" 1
373 1 14 LEU MD2 1 40 TRP HZ2 . . 4.460 4.334 4.136 4.457 . 0 0 "[ . 1 . 2]" 1
374 1 14 LEU MD2 1 40 TRP HZ3 . . 3.510 2.136 1.965 2.468 . 0 0 "[ . 1 . 2]" 1
375 1 14 LEU MD2 1 81 VAL MG1 . . 3.470 2.722 2.476 2.935 . 0 0 "[ . 1 . 2]" 1
376 1 14 LEU MD2 1 81 VAL MG2 . . 4.360 3.910 3.685 4.131 . 0 0 "[ . 1 . 2]" 1
377 1 14 LEU MD2 1 90 ALA MB . . 3.760 3.310 3.158 3.516 . 0 0 "[ . 1 . 2]" 1
378 1 14 LEU HG 1 15 GLU H . . 5.010 4.892 4.755 4.982 . 0 0 "[ . 1 . 2]" 1
379 1 14 LEU HG 1 29 CYS HB3 . . 4.160 3.451 3.162 3.729 . 0 0 "[ . 1 . 2]" 1
380 1 14 LEU HG 1 81 VAL MG1 . . 3.580 3.128 2.827 3.361 . 0 0 "[ . 1 . 2]" 1
381 1 14 LEU HG 1 81 VAL MG2 . . 4.100 3.768 3.490 3.969 . 0 0 "[ . 1 . 2]" 1
382 1 14 LEU HG 1 88 SER HB2 . . 4.550 3.851 3.642 4.139 . 0 0 "[ . 1 . 2]" 1
383 1 14 LEU HG 1 88 SER HB3 . . 3.990 2.783 2.519 3.089 . 0 0 "[ . 1 . 2]" 1
384 1 15 GLU H 1 15 GLU HB2 . . 3.800 3.169 2.436 3.825 0.025 11 0 "[ . 1 . 2]" 1
385 1 15 GLU H 1 15 GLU QB . . 3.110 2.727 2.401 3.018 . 0 0 "[ . 1 . 2]" 1
386 1 15 GLU H 1 15 GLU HB3 . . 3.800 3.389 2.942 3.779 . 0 0 "[ . 1 . 2]" 1
387 1 15 GLU H 1 15 GLU QG . . 3.580 2.666 2.047 3.525 . 0 0 "[ . 1 . 2]" 1
388 1 15 GLU H 1 16 ASP H . . 4.640 4.410 4.301 4.540 . 0 0 "[ . 1 . 2]" 1
389 1 15 GLU H 1 90 ALA MB . . 3.720 3.377 2.923 3.580 . 0 0 "[ . 1 . 2]" 1
390 1 15 GLU HA 1 15 GLU HG2 . . 3.890 3.196 2.235 3.860 . 0 0 "[ . 1 . 2]" 1
391 1 15 GLU HA 1 15 GLU QG . . 3.400 2.843 2.188 3.340 . 0 0 "[ . 1 . 2]" 1
392 1 15 GLU HA 1 15 GLU HG3 . . 3.890 3.317 2.371 3.763 . 0 0 "[ . 1 . 2]" 1
393 1 15 GLU HA 1 16 ASP H . . 2.720 2.190 2.144 2.269 . 0 0 "[ . 1 . 2]" 1
394 1 15 GLU HA 1 16 ASP HB2 . . 5.220 4.918 4.810 4.964 . 0 0 "[ . 1 . 2]" 1
395 1 15 GLU HA 1 16 ASP HB3 . . 4.640 4.426 4.376 4.495 . 0 0 "[ . 1 . 2]" 1
396 1 15 GLU HA 1 90 ALA MB . . 3.990 3.810 3.497 3.961 . 0 0 "[ . 1 . 2]" 1
397 1 15 GLU QB 1 16 ASP H . . 3.480 3.002 2.722 3.248 . 0 0 "[ . 1 . 2]" 1
398 1 15 GLU HB2 1 16 ASP H . . 4.330 3.613 2.777 4.306 . 0 0 "[ . 1 . 2]" 1
399 1 15 GLU HB3 1 16 ASP H . . 4.330 3.603 2.926 4.313 . 0 0 "[ . 1 . 2]" 1
400 1 15 GLU QG 1 16 ASP H . . 4.120 3.960 3.707 4.101 . 0 0 "[ . 1 . 2]" 1
401 1 16 ASP H 1 16 ASP HB2 . . 3.500 2.822 2.690 2.911 . 0 0 "[ . 1 . 2]" 1
402 1 16 ASP H 1 16 ASP HB3 . . 3.150 2.300 2.210 2.447 . 0 0 "[ . 1 . 2]" 1
403 1 16 ASP H 1 90 ALA MB . . 4.180 3.973 3.679 4.141 . 0 0 "[ . 1 . 2]" 1
404 1 16 ASP H 1 91 LYS H . . 4.330 4.169 3.947 4.310 . 0 0 "[ . 1 . 2]" 1
405 1 16 ASP HA 1 17 THR H . . 2.700 2.167 2.140 2.217 . 0 0 "[ . 1 . 2]" 1
406 1 16 ASP HA 1 17 THR HB . . 4.690 4.553 4.412 4.690 . 0 0 "[ . 1 . 2]" 1
407 1 16 ASP HA 1 90 ALA MB . . 3.360 3.094 2.671 3.270 . 0 0 "[ . 1 . 2]" 1
408 1 16 ASP HA 1 91 LYS H . . 3.220 2.461 2.072 2.700 . 0 0 "[ . 1 . 2]" 1
409 1 16 ASP HA 1 91 LYS QB . . 4.530 3.441 2.970 3.696 . 0 0 "[ . 1 . 2]" 1
410 1 16 ASP HB2 1 17 THR H . . 4.070 3.922 3.788 4.069 . 0 0 "[ . 1 . 2]" 1
411 1 16 ASP HB2 1 90 ALA MB . . 4.790 4.603 4.081 4.786 . 0 0 "[ . 1 . 2]" 1
412 1 16 ASP HB2 1 91 LYS H . . 4.240 3.215 2.823 3.528 . 0 0 "[ . 1 . 2]" 1
413 1 16 ASP HB2 1 91 LYS QB . . 4.840 2.766 2.222 3.042 . 0 0 "[ . 1 . 2]" 1
414 1 16 ASP HB3 1 17 THR H . . 4.590 4.330 4.198 4.447 . 0 0 "[ . 1 . 2]" 1
415 1 16 ASP HB3 1 90 ALA MB . . 5.460 5.312 4.880 5.461 0.001 19 0 "[ . 1 . 2]" 1
416 1 16 ASP HB3 1 91 LYS H . . 5.020 4.667 4.399 4.897 . 0 0 "[ . 1 . 2]" 1
417 1 16 ASP HB3 1 91 LYS QB . . 4.930 4.399 3.893 4.651 . 0 0 "[ . 1 . 2]" 1
418 1 17 THR H 1 17 THR HB . . 3.270 2.679 2.573 2.819 . 0 0 "[ . 1 . 2]" 1
419 1 17 THR H 1 17 THR HG1 . . 4.820 3.654 2.778 4.398 . 0 0 "[ . 1 . 2]" 1
420 1 17 THR H 1 17 THR MG . . 3.980 3.859 3.761 3.918 . 0 0 "[ . 1 . 2]" 1
421 1 17 THR H 1 27 LEU MD2 . . 4.700 4.164 3.789 4.583 . 0 0 "[ . 1 . 2]" 1
422 1 17 THR H 1 90 ALA MB . . 4.030 3.963 3.817 4.032 0.002 11 0 "[ . 1 . 2]" 1
423 1 17 THR H 1 91 LYS H . . 4.200 3.897 3.468 4.178 . 0 0 "[ . 1 . 2]" 1
424 1 17 THR H 1 91 LYS QB . . 4.860 4.284 3.999 4.714 . 0 0 "[ . 1 . 2]" 1
425 1 17 THR H 1 92 LEU HA . . 3.590 2.973 2.775 3.114 . 0 0 "[ . 1 . 2]" 1
426 1 17 THR H 1 92 LEU QD . . 3.660 3.263 2.892 3.511 . 0 0 "[ . 1 . 2]" 1
427 1 17 THR H 1 93 SER H . . 4.360 4.182 3.831 4.366 0.006 16 0 "[ . 1 . 2]" 1
428 1 17 THR HA 1 17 THR MG . . 3.160 2.400 2.250 2.502 . 0 0 "[ . 1 . 2]" 1
429 1 17 THR HA 1 18 THR H . . 2.660 2.225 2.153 2.298 . 0 0 "[ . 1 . 2]" 1
430 1 17 THR HA 1 18 THR HB . . 4.800 4.580 4.514 4.665 . 0 0 "[ . 1 . 2]" 1
431 1 17 THR HA 1 92 LEU QD . . 4.330 4.017 3.848 4.167 . 0 0 "[ . 1 . 2]" 1
432 1 17 THR HB 1 18 THR H . . 4.150 3.981 3.863 4.143 . 0 0 "[ . 1 . 2]" 1
433 1 17 THR HB 1 25 VAL MG1 . . 4.790 3.166 2.703 3.517 . 0 0 "[ . 1 . 2]" 1
434 1 17 THR HB 1 27 LEU MD1 . . 4.910 4.722 4.519 4.909 . 0 0 "[ . 1 . 2]" 1
435 1 17 THR HB 1 27 LEU MD2 . . 3.600 2.748 2.471 2.909 . 0 0 "[ . 1 . 2]" 1
436 1 17 THR HB 1 92 LEU HA . . 3.850 3.478 3.278 3.761 . 0 0 "[ . 1 . 2]" 1
437 1 17 THR HB 1 92 LEU HB2 . . 4.330 3.987 3.674 4.217 . 0 0 "[ . 1 . 2]" 1
438 1 17 THR HB 1 92 LEU QD . . 3.030 1.999 1.873 2.251 . 0 0 "[ . 1 . 2]" 1
439 1 17 THR HB 1 93 SER H . . 4.930 4.720 4.412 4.928 . 0 0 "[ . 1 . 2]" 1
440 1 17 THR MG 1 18 THR H . . 3.160 2.162 1.932 2.476 . 0 0 "[ . 1 . 2]" 1
441 1 17 THR MG 1 18 THR HA . . 4.320 3.534 3.220 3.810 . 0 0 "[ . 1 . 2]" 1
442 1 17 THR MG 1 19 ALA H . . 4.390 3.525 3.243 3.887 . 0 0 "[ . 1 . 2]" 1
443 1 17 THR MG 1 25 VAL MG1 . . 3.280 2.276 1.922 2.897 . 0 0 "[ . 1 . 2]" 1
444 1 17 THR MG 1 26 GLU H . . 4.820 3.504 3.076 3.949 . 0 0 "[ . 1 . 2]" 1
445 1 17 THR MG 1 27 LEU MD1 . . 5.170 5.067 4.900 5.170 . 0 0 "[ . 1 . 2]" 1
446 1 17 THR MG 1 92 LEU HA . . 4.540 4.311 3.798 4.517 . 0 0 "[ . 1 . 2]" 1
447 1 17 THR MG 1 92 LEU QD . . 2.700 2.303 1.923 2.639 . 0 0 "[ . 1 . 2]" 1
448 1 17 THR MG 1 93 SER H . . 4.840 4.605 4.010 4.823 . 0 0 "[ . 1 . 2]" 1
449 1 18 THR H 1 18 THR HB . . 3.210 2.689 2.578 2.803 . 0 0 "[ . 1 . 2]" 1
450 1 18 THR H 1 18 THR MG . . 3.980 3.873 3.813 3.918 . 0 0 "[ . 1 . 2]" 1
451 1 18 THR H 1 92 LEU QD . . 4.240 3.993 3.751 4.233 . 0 0 "[ . 1 . 2]" 1
452 1 18 THR HA 1 18 THR MG . . 3.130 2.357 2.257 2.464 . 0 0 "[ . 1 . 2]" 1
453 1 18 THR HA 1 19 ALA H . . 2.730 2.165 2.146 2.179 . 0 0 "[ . 1 . 2]" 1
454 1 18 THR HA 1 19 ALA HA . . 4.660 4.404 4.393 4.410 . 0 0 "[ . 1 . 2]" 1
455 1 18 THR HA 1 19 ALA MB . . 4.190 4.048 3.977 4.096 . 0 0 "[ . 1 . 2]" 1
456 1 18 THR HA 1 92 LEU HA . . 4.530 4.097 3.919 4.252 . 0 0 "[ . 1 . 2]" 1
457 1 18 THR HA 1 92 LEU QD . . 3.710 3.317 2.789 3.571 . 0 0 "[ . 1 . 2]" 1
458 1 18 THR HA 1 93 SER H . . 3.410 2.654 2.437 2.863 . 0 0 "[ . 1 . 2]" 1
459 1 18 THR HA 1 93 SER QB . . 3.380 3.011 2.587 3.380 . 0 0 "[ . 1 . 2]" 1
460 1 18 THR HB 1 19 ALA H . . 4.610 4.389 4.291 4.445 . 0 0 "[ . 1 . 2]" 1
461 1 18 THR HB 1 19 ALA MB . . 5.500 5.419 5.269 5.491 . 0 0 "[ . 1 . 2]" 1
462 1 18 THR MG 1 19 ALA H . . 3.370 3.069 2.750 3.210 . 0 0 "[ . 1 . 2]" 1
463 1 18 THR MG 1 19 ALA HA . . 4.590 3.816 3.628 3.967 . 0 0 "[ . 1 . 2]" 1
464 1 18 THR MG 1 20 TYR QD . . 4.880 4.694 3.865 4.880 0.000 9 0 "[ . 1 . 2]" 1
465 1 18 THR MG 1 20 TYR QE . . 4.850 4.376 3.448 4.714 . 0 0 "[ . 1 . 2]" 1
466 1 18 THR MG 1 93 SER H . . 4.480 3.978 3.721 4.304 . 0 0 "[ . 1 . 2]" 1
467 1 18 THR MG 1 93 SER QB . . 3.420 2.652 2.256 3.418 . 0 0 "[ . 1 . 2]" 1
468 1 18 THR MG 1 95 ASP H . . 4.230 3.978 3.698 4.227 . 0 0 "[ . 1 . 2]" 1
469 1 18 THR MG 1 95 ASP HB2 . . 3.890 3.495 3.232 3.846 . 0 0 "[ . 1 . 2]" 1
470 1 18 THR MG 1 95 ASP HB3 . . 4.770 4.646 4.235 4.771 0.001 18 0 "[ . 1 . 2]" 1
471 1 19 ALA H 1 19 ALA MB . . 3.160 2.369 2.277 2.480 . 0 0 "[ . 1 . 2]" 1
472 1 19 ALA H 1 20 TYR H . . 4.590 4.467 4.439 4.497 . 0 0 "[ . 1 . 2]" 1
473 1 19 ALA H 1 20 TYR HA . . 5.500 5.037 4.971 5.100 . 0 0 "[ . 1 . 2]" 1
474 1 19 ALA H 1 25 VAL MG1 . . 5.020 4.744 4.601 4.967 . 0 0 "[ . 1 . 2]" 1
475 1 19 ALA H 1 25 VAL MG2 . . 4.490 3.896 3.667 4.127 . 0 0 "[ . 1 . 2]" 1
476 1 19 ALA H 1 92 LEU HA . . 5.500 4.869 4.662 5.214 . 0 0 "[ . 1 . 2]" 1
477 1 19 ALA H 1 92 LEU QD . . 3.510 3.037 2.515 3.334 . 0 0 "[ . 1 . 2]" 1
478 1 19 ALA H 1 93 SER H . . 4.180 3.710 3.143 4.024 . 0 0 "[ . 1 . 2]" 1
479 1 19 ALA H 1 93 SER QB . . 4.680 4.301 3.985 4.514 . 0 0 "[ . 1 . 2]" 1
480 1 19 ALA H 1 94 VAL MG1 . . 4.860 4.780 4.567 4.870 0.010 16 0 "[ . 1 . 2]" 1
481 1 19 ALA H 1 94 VAL QG . . 3.960 3.644 3.413 3.907 . 0 0 "[ . 1 . 2]" 1
482 1 19 ALA H 1 94 VAL MG2 . . 4.860 3.785 3.493 4.124 . 0 0 "[ . 1 . 2]" 1
483 1 19 ALA HA 1 20 TYR H . . 2.810 2.533 2.296 2.608 . 0 0 "[ . 1 . 2]" 1
484 1 19 ALA HA 1 20 TYR HA . . 4.770 4.387 4.322 4.426 . 0 0 "[ . 1 . 2]" 1
485 1 19 ALA HA 1 20 TYR HB2 . . 4.800 4.647 4.434 4.783 . 0 0 "[ . 1 . 2]" 1
486 1 19 ALA HA 1 20 TYR QD . . 4.530 3.917 3.014 4.436 . 0 0 "[ . 1 . 2]" 1
487 1 19 ALA HA 1 25 VAL MG2 . . 4.400 4.302 4.070 4.406 0.006 18 0 "[ . 1 . 2]" 1
488 1 19 ALA MB 1 20 TYR H . . 2.910 2.241 1.986 2.754 . 0 0 "[ . 1 . 2]" 1
489 1 19 ALA MB 1 20 TYR HA . . 4.310 4.067 3.951 4.298 . 0 0 "[ . 1 . 2]" 1
490 1 19 ALA MB 1 20 TYR HB2 . . 4.890 4.317 4.161 4.438 . 0 0 "[ . 1 . 2]" 1
491 1 19 ALA MB 1 20 TYR HB3 . . 5.500 5.255 5.183 5.366 . 0 0 "[ . 1 . 2]" 1
492 1 19 ALA MB 1 20 TYR QD . . 5.040 4.437 4.054 4.738 . 0 0 "[ . 1 . 2]" 1
493 1 19 ALA MB 1 21 CYS HA . . 5.500 5.234 5.148 5.317 . 0 0 "[ . 1 . 2]" 1
494 1 19 ALA MB 1 23 GLU H . . 4.780 4.276 3.911 4.584 . 0 0 "[ . 1 . 2]" 1
495 1 19 ALA MB 1 23 GLU HB2 . . 3.680 2.749 2.247 3.139 . 0 0 "[ . 1 . 2]" 1
496 1 19 ALA MB 1 23 GLU HB3 . . 4.210 2.912 2.554 3.155 . 0 0 "[ . 1 . 2]" 1
497 1 19 ALA MB 1 23 GLU HG2 . . 5.000 4.730 4.002 5.001 0.001 10 0 "[ . 1 . 2]" 1
498 1 19 ALA MB 1 23 GLU HG3 . . 5.000 4.074 3.507 4.928 . 0 0 "[ . 1 . 2]" 1
499 1 19 ALA MB 1 25 VAL H . . 5.120 4.432 4.225 4.649 . 0 0 "[ . 1 . 2]" 1
500 1 19 ALA MB 1 25 VAL HA . . 4.530 3.402 3.304 3.548 . 0 0 "[ . 1 . 2]" 1
501 1 19 ALA MB 1 25 VAL HB . . 4.550 4.390 4.226 4.485 . 0 0 "[ . 1 . 2]" 1
502 1 19 ALA MB 1 25 VAL MG1 . . 3.530 3.134 2.943 3.460 . 0 0 "[ . 1 . 2]" 1
503 1 19 ALA MB 1 25 VAL MG2 . . 2.650 1.918 1.807 2.033 . 0 0 "[ . 1 . 2]" 1
504 1 19 ALA MB 1 92 LEU QD . . 3.060 2.690 2.442 2.993 . 0 0 "[ . 1 . 2]" 1
505 1 19 ALA MB 1 93 SER H . . 5.500 5.094 4.340 5.463 . 0 0 "[ . 1 . 2]" 1
506 1 19 ALA MB 1 94 VAL QG . . 3.920 3.090 2.795 3.630 . 0 0 "[ . 1 . 2]" 1
507 1 19 ALA MB 1 95 ASP H . . 4.700 4.619 4.373 4.702 0.002 13 0 "[ . 1 . 2]" 1
508 1 20 TYR H 1 20 TYR HB2 . . 3.210 2.460 2.268 2.578 . 0 0 "[ . 1 . 2]" 1
509 1 20 TYR H 1 20 TYR HB3 . . 3.790 3.661 3.547 3.731 . 0 0 "[ . 1 . 2]" 1
510 1 20 TYR H 1 20 TYR QD . . 3.670 3.045 2.300 3.445 . 0 0 "[ . 1 . 2]" 1
511 1 20 TYR H 1 23 GLU HB2 . . 3.730 2.132 1.906 2.705 . 0 0 "[ . 1 . 2]" 1
512 1 20 TYR H 1 23 GLU HB3 . . 4.370 3.093 2.887 3.590 . 0 0 "[ . 1 . 2]" 1
513 1 20 TYR H 1 23 GLU HG2 . . 4.630 3.678 2.751 4.394 . 0 0 "[ . 1 . 2]" 1
514 1 20 TYR H 1 23 GLU QG . . 3.920 2.707 2.109 3.293 . 0 0 "[ . 1 . 2]" 1
515 1 20 TYR H 1 23 GLU HG3 . . 4.630 2.866 2.130 4.253 . 0 0 "[ . 1 . 2]" 1
516 1 20 TYR HA 1 20 TYR QD . . 3.310 2.592 2.275 3.079 . 0 0 "[ . 1 . 2]" 1
517 1 20 TYR HA 1 21 CYS H . . 2.780 2.446 2.332 2.576 . 0 0 "[ . 1 . 2]" 1
518 1 20 TYR HA 1 21 CYS HA . . 4.910 4.301 4.293 4.312 . 0 0 "[ . 1 . 2]" 1
519 1 20 TYR HA 1 21 CYS QB . . 4.690 4.272 4.201 4.437 . 0 0 "[ . 1 . 2]" 1
520 1 20 TYR HA 1 94 VAL QG . . 3.940 2.996 2.540 3.361 . 0 0 "[ . 1 . 2]" 1
521 1 20 TYR HA 1 95 ASP H . . 3.390 2.218 1.884 2.513 . 0 0 "[ . 1 . 2]" 1
522 1 20 TYR HA 1 95 ASP HB2 . . 4.300 3.714 2.968 4.297 . 0 0 "[ . 1 . 2]" 1
523 1 20 TYR HA 1 95 ASP HB3 . . 4.570 4.158 2.795 4.572 0.002 2 0 "[ . 1 . 2]" 1
524 1 20 TYR HB2 1 21 CYS H . . 3.790 3.616 3.380 3.796 0.006 17 0 "[ . 1 . 2]" 1
525 1 20 TYR HB2 1 23 GLU H . . 4.590 3.731 3.456 4.158 . 0 0 "[ . 1 . 2]" 1
526 1 20 TYR HB2 1 23 GLU HB2 . . 4.870 2.898 2.609 3.243 . 0 0 "[ . 1 . 2]" 1
527 1 20 TYR HB2 1 23 GLU HG2 . . 4.220 2.578 1.997 3.566 . 0 0 "[ . 1 . 2]" 1
528 1 20 TYR HB2 1 23 GLU QG . . 3.600 2.021 1.836 2.278 . 0 0 "[ . 1 . 2]" 1
529 1 20 TYR HB2 1 23 GLU HG3 . . 4.220 2.304 1.999 3.481 . 0 0 "[ . 1 . 2]" 1
530 1 20 TYR HB3 1 21 CYS H . . 3.330 2.343 2.075 2.604 . 0 0 "[ . 1 . 2]" 1
531 1 20 TYR HB3 1 23 GLU H . . 4.630 4.340 4.119 4.565 . 0 0 "[ . 1 . 2]" 1
532 1 20 TYR HB3 1 23 GLU HG2 . . 4.890 3.951 2.890 4.887 . 0 0 "[ . 1 . 2]" 1
533 1 20 TYR HB3 1 23 GLU QG . . 4.130 3.374 2.800 3.809 . 0 0 "[ . 1 . 2]" 1
534 1 20 TYR HB3 1 23 GLU HG3 . . 4.890 3.914 3.105 4.889 . 0 0 "[ . 1 . 2]" 1
535 1 20 TYR HB3 1 96 LEU HA . . 4.820 3.905 3.610 4.384 . 0 0 "[ . 1 . 2]" 1
536 1 20 TYR HB3 1 97 LYS H . . 4.630 2.984 2.495 3.534 . 0 0 "[ . 1 . 2]" 1
537 1 20 TYR HB3 1 97 LYS HA . . 4.950 4.565 4.122 4.934 . 0 0 "[ . 1 . 2]" 1
538 1 20 TYR HB3 1 97 LYS QB . . 4.490 2.889 2.330 4.043 . 0 0 "[ . 1 . 2]" 1
539 1 20 TYR HB3 1 97 LYS QG . . 4.750 4.241 2.440 4.752 0.002 17 0 "[ . 1 . 2]" 1
540 1 20 TYR QD 1 21 CYS H . . 4.020 3.508 3.094 3.859 . 0 0 "[ . 1 . 2]" 1
541 1 20 TYR QD 1 95 ASP H . . 4.850 3.628 3.193 4.082 . 0 0 "[ . 1 . 2]" 1
542 1 20 TYR QD 1 95 ASP HB2 . . 4.100 3.333 2.218 4.149 0.049 16 0 "[ . 1 . 2]" 1
543 1 20 TYR QD 1 95 ASP HB3 . . 3.840 3.090 2.285 3.610 . 0 0 "[ . 1 . 2]" 1
544 1 20 TYR QD 1 96 LEU HA . . 4.930 3.732 3.132 4.242 . 0 0 "[ . 1 . 2]" 1
545 1 20 TYR QD 1 97 LYS H . . 4.430 3.022 2.484 3.719 . 0 0 "[ . 1 . 2]" 1
546 1 20 TYR QD 1 97 LYS HA . . 3.760 3.307 2.362 3.729 . 0 0 "[ . 1 . 2]" 1
547 1 20 TYR QD 1 97 LYS QB . . 4.560 3.003 2.034 4.561 0.001 1 0 "[ . 1 . 2]" 1
548 1 20 TYR QD 1 97 LYS QD . . 4.770 3.493 2.750 4.772 0.002 7 0 "[ . 1 . 2]" 1
549 1 20 TYR QD 1 97 LYS QE . . 4.740 3.825 2.172 4.604 . 0 0 "[ . 1 . 2]" 1
550 1 20 TYR QD 1 97 LYS QG . . 4.680 3.712 2.070 4.667 . 0 0 "[ . 1 . 2]" 1
551 1 20 TYR QE 1 95 ASP HB2 . . 4.170 3.590 2.860 4.171 0.001 5 0 "[ . 1 . 2]" 1
552 1 20 TYR QE 1 95 ASP HB3 . . 4.110 3.250 2.359 3.919 . 0 0 "[ . 1 . 2]" 1
553 1 20 TYR QE 1 97 LYS HA . . 4.020 3.263 2.238 3.935 . 0 0 "[ . 1 . 2]" 1
554 1 20 TYR QE 1 97 LYS QE . . 4.950 3.618 2.452 4.444 . 0 0 "[ . 1 . 2]" 1
555 1 21 CYS H 1 21 CYS HB2 . . 3.560 2.762 2.330 3.599 0.039 6 0 "[ . 1 . 2]" 1
556 1 21 CYS H 1 21 CYS QB . . 2.950 2.270 2.209 2.535 . 0 0 "[ . 1 . 2]" 1
557 1 21 CYS H 1 21 CYS HB3 . . 3.560 2.498 2.297 2.741 . 0 0 "[ . 1 . 2]" 1
558 1 21 CYS H 1 22 GLY H . . 4.710 4.415 4.319 4.551 . 0 0 "[ . 1 . 2]" 1
559 1 21 CYS H 1 23 GLU H . . 4.490 4.334 4.111 4.478 . 0 0 "[ . 1 . 2]" 1
560 1 21 CYS H 1 71 ALA MB . . 5.500 5.438 5.262 5.501 0.001 10 0 "[ . 1 . 2]" 1
561 1 21 CYS H 1 94 VAL QG . . 3.390 2.954 2.412 3.332 . 0 0 "[ . 1 . 2]" 1
562 1 21 CYS H 1 95 ASP H . . 4.120 3.754 3.192 4.112 . 0 0 "[ . 1 . 2]" 1
563 1 21 CYS H 1 95 ASP HA . . 5.500 4.867 4.358 5.363 . 0 0 "[ . 1 . 2]" 1
564 1 21 CYS H 1 95 ASP HB2 . . 5.500 5.289 4.681 5.526 0.026 16 0 "[ . 1 . 2]" 1
565 1 21 CYS H 1 96 LEU HA . . 3.750 2.919 2.667 3.088 . 0 0 "[ . 1 . 2]" 1
566 1 21 CYS H 1 96 LEU QD . . 4.670 3.798 3.353 4.601 . 0 0 "[ . 1 . 2]" 1
567 1 21 CYS H 1 96 LEU HG . . 5.500 4.536 4.152 4.871 . 0 0 "[ . 1 . 2]" 1
568 1 21 CYS H 1 97 LYS H . . 4.740 3.417 2.828 3.985 . 0 0 "[ . 1 . 2]" 1
569 1 21 CYS H 1 97 LYS QB . . 5.340 4.436 3.593 5.006 . 0 0 "[ . 1 . 2]" 1
570 1 21 CYS HA 1 22 GLY H . . 2.820 2.156 2.143 2.179 . 0 0 "[ . 1 . 2]" 1
571 1 21 CYS HA 1 22 GLY HA3 . . 4.600 4.389 4.382 4.420 . 0 0 "[ . 1 . 2]" 1
572 1 21 CYS HA 1 23 GLU H . . 3.960 3.662 3.411 3.858 . 0 0 "[ . 1 . 2]" 1
573 1 21 CYS HA 1 71 ALA H . . 5.270 4.950 4.542 5.213 . 0 0 "[ . 1 . 2]" 1
574 1 21 CYS HA 1 71 ALA MB . . 4.210 3.986 3.819 4.108 . 0 0 "[ . 1 . 2]" 1
575 1 21 CYS HA 1 72 THR HA . . 4.190 2.738 2.427 3.062 . 0 0 "[ . 1 . 2]" 1
576 1 21 CYS HA 1 72 THR MG . . 4.800 3.934 3.517 4.155 . 0 0 "[ . 1 . 2]" 1
577 1 21 CYS HA 1 94 VAL QG . . 3.270 2.286 1.868 2.744 . 0 0 "[ . 1 . 2]" 1
578 1 21 CYS QB 1 94 VAL QG . . 3.760 2.703 2.326 3.012 . 0 0 "[ . 1 . 2]" 1
579 1 21 CYS QB 1 96 LEU HA . . 3.720 2.792 2.172 3.187 . 0 0 "[ . 1 . 2]" 1
580 1 21 CYS QB 1 96 LEU QD . . 3.320 2.265 1.825 3.309 . 0 0 "[ . 1 . 2]" 1
581 1 21 CYS HB2 1 22 GLY H . . 4.580 4.212 3.350 4.552 . 0 0 "[ . 1 . 2]" 1
582 1 21 CYS HB2 1 72 THR MG . . 5.030 4.233 3.195 4.987 . 0 0 "[ . 1 . 2]" 1
583 1 21 CYS HB2 1 96 LEU HA . . 4.390 3.538 2.961 4.354 . 0 0 "[ . 1 . 2]" 1
584 1 21 CYS HB2 1 96 LEU MD1 . . 4.850 4.525 4.014 4.851 0.001 15 0 "[ . 1 . 2]" 1
585 1 21 CYS HB2 1 96 LEU MD2 . . 4.850 2.791 1.979 4.226 . 0 0 "[ . 1 . 2]" 1
586 1 21 CYS HB3 1 22 GLY H . . 4.580 4.379 4.251 4.471 . 0 0 "[ . 1 . 2]" 1
587 1 21 CYS HB3 1 72 THR MG . . 5.030 4.870 4.590 5.040 0.010 16 0 "[ . 1 . 2]" 1
588 1 21 CYS HB3 1 96 LEU HA . . 4.390 2.993 2.187 3.475 . 0 0 "[ . 1 . 2]" 1
589 1 21 CYS HB3 1 96 LEU MD1 . . 4.850 4.633 3.716 4.876 0.026 16 0 "[ . 1 . 2]" 1
590 1 21 CYS HB3 1 96 LEU MD2 . . 4.850 2.533 1.960 3.973 . 0 0 "[ . 1 . 2]" 1
591 1 22 GLY H 1 23 GLU H . . 3.230 2.609 2.260 2.903 . 0 0 "[ . 1 . 2]" 1
592 1 22 GLY H 1 70 GLY HA2 . . 4.860 3.968 3.426 4.214 . 0 0 "[ . 1 . 2]" 1
593 1 22 GLY H 1 71 ALA H . . 3.820 3.152 2.849 3.506 . 0 0 "[ . 1 . 2]" 1
594 1 22 GLY H 1 71 ALA MB . . 3.650 3.363 3.180 3.524 . 0 0 "[ . 1 . 2]" 1
595 1 22 GLY H 1 72 THR HA . . 4.690 3.062 2.625 3.776 . 0 0 "[ . 1 . 2]" 1
596 1 22 GLY H 1 72 THR MG . . 4.110 3.801 3.245 4.111 0.001 10 0 "[ . 1 . 2]" 1
597 1 22 GLY H 1 94 VAL QG . . 4.400 3.524 3.144 3.991 . 0 0 "[ . 1 . 2]" 1
598 1 22 GLY HA2 1 70 GLY HA2 . . 3.690 2.566 2.304 2.822 . 0 0 "[ . 1 . 2]" 1
599 1 22 GLY HA2 1 71 ALA H . . 4.230 3.376 3.083 3.704 . 0 0 "[ . 1 . 2]" 1
600 1 22 GLY HA2 1 71 ALA MB . . 4.920 4.636 4.362 4.932 0.012 16 0 "[ . 1 . 2]" 1
601 1 22 GLY HA3 1 70 GLY HA2 . . 4.610 4.033 3.736 4.272 . 0 0 "[ . 1 . 2]" 1
602 1 22 GLY HA3 1 70 GLY HA3 . . 5.500 5.321 5.091 5.493 . 0 0 "[ . 1 . 2]" 1
603 1 22 GLY HA3 1 71 ALA H . . 5.130 4.606 4.342 4.921 . 0 0 "[ . 1 . 2]" 1
604 1 23 GLU H 1 23 GLU HB2 . . 3.030 2.208 2.169 2.391 . 0 0 "[ . 1 . 2]" 1
605 1 23 GLU H 1 23 GLU HB3 . . 3.660 3.503 3.478 3.576 . 0 0 "[ . 1 . 2]" 1
606 1 23 GLU H 1 23 GLU QG . . 3.230 2.883 2.728 3.269 0.039 17 0 "[ . 1 . 2]" 1
607 1 23 GLU H 1 24 ARG H . . 4.730 4.614 4.571 4.639 . 0 0 "[ . 1 . 2]" 1
608 1 23 GLU H 1 25 VAL MG2 . . 5.420 5.152 4.851 5.388 . 0 0 "[ . 1 . 2]" 1
609 1 23 GLU H 1 71 ALA H . . 3.850 3.542 3.105 3.857 0.007 20 0 "[ . 1 . 2]" 1
610 1 23 GLU H 1 71 ALA MB . . 3.610 3.459 3.141 3.611 0.001 17 0 "[ . 1 . 2]" 1
611 1 23 GLU HA 1 23 GLU HG2 . . 3.630 2.673 2.286 3.705 0.075 17 0 "[ . 1 . 2]" 1
612 1 23 GLU HA 1 23 GLU HG3 . . 3.630 3.460 2.555 3.633 0.003 3 0 "[ . 1 . 2]" 1
613 1 23 GLU HA 1 24 ARG H . . 2.720 2.440 2.368 2.505 . 0 0 "[ . 1 . 2]" 1
614 1 23 GLU HA 1 24 ARG HA . . 4.600 4.365 4.347 4.385 . 0 0 "[ . 1 . 2]" 1
615 1 23 GLU HA 1 24 ARG HB2 . . 4.620 4.561 4.444 4.642 0.022 20 0 "[ . 1 . 2]" 1
616 1 23 GLU HA 1 24 ARG HB3 . . 4.920 4.579 4.497 4.691 . 0 0 "[ . 1 . 2]" 1
617 1 23 GLU HA 1 71 ALA H . . 4.870 4.468 4.323 4.730 . 0 0 "[ . 1 . 2]" 1
618 1 23 GLU HB2 1 24 ARG H . . 4.150 3.808 3.686 3.955 . 0 0 "[ . 1 . 2]" 1
619 1 23 GLU HB2 1 25 VAL MG2 . . 4.820 4.265 4.154 4.390 . 0 0 "[ . 1 . 2]" 1
620 1 23 GLU HB2 1 71 ALA MB . . 4.200 3.431 3.253 3.636 . 0 0 "[ . 1 . 2]" 1
621 1 23 GLU HB3 1 24 ARG H . . 3.360 2.407 2.241 2.605 . 0 0 "[ . 1 . 2]" 1
622 1 23 GLU HB3 1 25 VAL MG2 . . 4.570 4.064 3.869 4.464 . 0 0 "[ . 1 . 2]" 1
623 1 23 GLU QG 1 24 ARG H . . 3.890 3.800 3.256 3.917 0.027 5 0 "[ . 1 . 2]" 1
624 1 23 GLU HG2 1 24 ARG H . . 4.660 4.255 3.337 4.658 . 0 0 "[ . 1 . 2]" 1
625 1 23 GLU HG3 1 24 ARG H . . 4.660 4.401 3.764 4.663 0.003 6 0 "[ . 1 . 2]" 1
626 1 24 ARG H 1 24 ARG HB2 . . 3.310 3.005 2.894 3.106 . 0 0 "[ . 1 . 2]" 1
627 1 24 ARG H 1 24 ARG HB3 . . 3.210 2.396 2.329 2.481 . 0 0 "[ . 1 . 2]" 1
628 1 24 ARG H 1 24 ARG HD2 . . 5.500 4.750 4.352 5.650 0.150 20 0 "[ . 1 . 2]" 1
629 1 24 ARG H 1 24 ARG HD3 . . 5.500 5.235 4.540 5.597 0.097 16 0 "[ . 1 . 2]" 1
630 1 24 ARG H 1 24 ARG HG2 . . 4.350 4.274 4.215 4.368 0.018 12 0 "[ . 1 . 2]" 1
631 1 24 ARG H 1 25 VAL H . . 4.630 4.404 4.358 4.464 . 0 0 "[ . 1 . 2]" 1
632 1 24 ARG HA 1 24 ARG HG2 . . 3.740 2.983 2.911 3.147 . 0 0 "[ . 1 . 2]" 1
633 1 24 ARG HA 1 24 ARG HG3 . . 3.470 2.929 2.696 3.017 . 0 0 "[ . 1 . 2]" 1
634 1 24 ARG HA 1 25 VAL H . . 2.760 2.143 2.140 2.152 . 0 0 "[ . 1 . 2]" 1
635 1 24 ARG HA 1 25 VAL HA . . 4.730 4.389 4.381 4.395 . 0 0 "[ . 1 . 2]" 1
636 1 24 ARG HA 1 25 VAL MG2 . . 4.180 3.541 3.441 3.670 . 0 0 "[ . 1 . 2]" 1
637 1 24 ARG HA 1 67 ILE MD . . 4.360 3.909 3.643 4.243 . 0 0 "[ . 1 . 2]" 1
638 1 24 ARG HA 1 69 GLU HA . . 3.690 3.450 2.967 3.665 . 0 0 "[ . 1 . 2]" 1
639 1 24 ARG HA 1 70 GLY H . . 3.390 2.897 2.661 3.156 . 0 0 "[ . 1 . 2]" 1
640 1 24 ARG HA 1 70 GLY HA2 . . 4.920 4.542 4.255 4.864 . 0 0 "[ . 1 . 2]" 1
641 1 24 ARG HA 1 71 ALA H . . 4.290 3.693 3.390 4.054 . 0 0 "[ . 1 . 2]" 1
642 1 24 ARG HA 1 71 ALA MB . . 4.630 3.683 3.428 4.076 . 0 0 "[ . 1 . 2]" 1
643 1 24 ARG HB2 1 24 ARG HD2 . . 4.090 2.957 2.447 3.877 . 0 0 "[ . 1 . 2]" 1
644 1 24 ARG HB2 1 24 ARG QD . . 3.380 2.790 2.402 2.973 . 0 0 "[ . 1 . 2]" 1
645 1 24 ARG HB2 1 24 ARG HD3 . . 4.090 3.614 2.798 3.963 . 0 0 "[ . 1 . 2]" 1
646 1 24 ARG HB2 1 25 VAL H . . 4.770 4.190 4.100 4.304 . 0 0 "[ . 1 . 2]" 1
647 1 24 ARG HB2 1 69 GLU HA . . 4.680 3.513 3.081 3.962 . 0 0 "[ . 1 . 2]" 1
648 1 24 ARG HB2 1 70 GLY H . . 4.140 3.661 3.243 4.142 0.002 18 0 "[ . 1 . 2]" 1
649 1 24 ARG HB3 1 24 ARG HD2 . . 3.640 2.447 2.057 3.410 . 0 0 "[ . 1 . 2]" 1
650 1 24 ARG HB3 1 24 ARG QD . . 3.160 2.171 2.040 2.953 . 0 0 "[ . 1 . 2]" 1
651 1 24 ARG HB3 1 24 ARG HD3 . . 3.640 2.951 2.206 3.379 . 0 0 "[ . 1 . 2]" 1
652 1 24 ARG HB3 1 25 VAL H . . 4.780 4.344 4.305 4.388 . 0 0 "[ . 1 . 2]" 1
653 1 24 ARG HB3 1 25 VAL HA . . 5.500 5.118 5.031 5.177 . 0 0 "[ . 1 . 2]" 1
654 1 24 ARG HB3 1 67 ILE MD . . 4.720 4.626 4.383 4.724 0.004 14 0 "[ . 1 . 2]" 1
655 1 24 ARG HB3 1 69 GLU HA . . 5.500 5.126 4.763 5.507 0.007 2 0 "[ . 1 . 2]" 1
656 1 24 ARG QD 1 26 GLU HG3 . . 4.220 2.776 2.167 3.925 . 0 0 "[ . 1 . 2]" 1
657 1 24 ARG QD 1 69 GLU QG . . 4.760 4.588 3.579 4.763 0.003 16 0 "[ . 1 . 2]" 1
658 1 24 ARG HD2 1 26 GLU HG3 . . 4.810 3.981 2.517 4.759 . 0 0 "[ . 1 . 2]" 1
659 1 24 ARG HD3 1 26 GLU HG3 . . 4.810 2.916 2.191 4.180 . 0 0 "[ . 1 . 2]" 1
660 1 24 ARG HE 1 67 ILE MD . . 5.010 2.832 1.845 4.917 . 0 0 "[ . 1 . 2]" 1
661 1 24 ARG HG2 1 25 VAL H . . 4.080 3.011 2.811 3.274 . 0 0 "[ . 1 . 2]" 1
662 1 24 ARG HG2 1 25 VAL HA . . 4.430 3.918 3.764 4.138 . 0 0 "[ . 1 . 2]" 1
663 1 24 ARG HG2 1 26 GLU HG2 . . 4.750 3.813 3.612 4.022 . 0 0 "[ . 1 . 2]" 1
664 1 24 ARG HG2 1 26 GLU HG3 . . 4.310 2.762 2.359 2.948 . 0 0 "[ . 1 . 2]" 1
665 1 24 ARG HG2 1 67 ILE MD . . 3.310 3.151 2.746 3.365 0.055 20 0 "[ . 1 . 2]" 1
666 1 24 ARG HG2 1 69 GLU HA . . 5.090 4.707 4.358 5.100 0.010 20 0 "[ . 1 . 2]" 1
667 1 24 ARG HG3 1 25 VAL H . . 4.020 3.616 3.296 3.798 . 0 0 "[ . 1 . 2]" 1
668 1 24 ARG HG3 1 26 GLU HG3 . . 4.780 4.124 3.506 4.482 . 0 0 "[ . 1 . 2]" 1
669 1 24 ARG HG3 1 69 GLU HA . . 3.630 3.252 2.990 3.599 . 0 0 "[ . 1 . 2]" 1
670 1 24 ARG HG3 1 69 GLU QG . . 4.840 3.580 3.346 3.962 . 0 0 "[ . 1 . 2]" 1
671 1 24 ARG HG3 1 70 GLY H . . 4.720 4.388 4.213 4.714 . 0 0 "[ . 1 . 2]" 1
672 1 25 VAL H 1 25 VAL HB . . 3.410 2.572 2.506 2.635 . 0 0 "[ . 1 . 2]" 1
673 1 25 VAL H 1 25 VAL MG1 . . 3.840 3.811 3.792 3.836 . 0 0 "[ . 1 . 2]" 1
674 1 25 VAL H 1 25 VAL MG2 . . 3.350 2.369 2.166 2.479 . 0 0 "[ . 1 . 2]" 1
675 1 25 VAL H 1 26 GLU H . . 4.670 4.529 4.453 4.564 . 0 0 "[ . 1 . 2]" 1
676 1 25 VAL H 1 26 GLU HG3 . . 5.500 4.905 4.492 5.097 . 0 0 "[ . 1 . 2]" 1
677 1 25 VAL H 1 68 ILE HB . . 3.950 2.745 2.528 3.182 . 0 0 "[ . 1 . 2]" 1
678 1 25 VAL H 1 68 ILE MG . . 4.250 4.040 3.768 4.259 0.009 2 0 "[ . 1 . 2]" 1
679 1 25 VAL H 1 69 GLU HA . . 4.700 4.557 4.001 4.707 0.007 17 0 "[ . 1 . 2]" 1
680 1 25 VAL H 1 70 GLY H . . 4.490 4.372 4.234 4.503 0.013 12 0 "[ . 1 . 2]" 1
681 1 25 VAL H 1 71 ALA H . . 4.560 4.472 4.161 4.570 0.010 12 0 "[ . 1 . 2]" 1
682 1 25 VAL H 1 71 ALA MB . . 4.510 3.157 2.948 3.412 . 0 0 "[ . 1 . 2]" 1
683 1 25 VAL HA 1 25 VAL MG1 . . 3.170 2.379 2.255 2.440 . 0 0 "[ . 1 . 2]" 1
684 1 25 VAL HA 1 25 VAL MG2 . . 2.910 2.470 2.425 2.532 . 0 0 "[ . 1 . 2]" 1
685 1 25 VAL HA 1 26 GLU H . . 2.560 2.194 2.157 2.232 . 0 0 "[ . 1 . 2]" 1
686 1 25 VAL HA 1 26 GLU HA . . 4.570 4.415 4.400 4.426 . 0 0 "[ . 1 . 2]" 1
687 1 25 VAL HA 1 26 GLU HG2 . . 5.430 5.317 5.167 5.404 . 0 0 "[ . 1 . 2]" 1
688 1 25 VAL HA 1 26 GLU HG3 . . 4.550 4.275 4.073 4.507 . 0 0 "[ . 1 . 2]" 1
689 1 25 VAL HB 1 68 ILE H . . 3.870 3.394 3.025 3.535 . 0 0 "[ . 1 . 2]" 1
690 1 25 VAL HB 1 68 ILE HB . . 3.100 2.300 1.993 2.591 . 0 0 "[ . 1 . 2]" 1
691 1 25 VAL HB 1 68 ILE MD . . 3.580 2.263 1.969 3.054 . 0 0 "[ . 1 . 2]" 1
692 1 25 VAL HB 1 68 ILE HG12 . . 5.140 4.295 4.149 4.527 . 0 0 "[ . 1 . 2]" 1
693 1 25 VAL HB 1 68 ILE HG13 . . 3.900 3.073 2.907 3.299 . 0 0 "[ . 1 . 2]" 1
694 1 25 VAL HB 1 71 ALA MB . . 4.260 3.394 3.016 3.587 . 0 0 "[ . 1 . 2]" 1
695 1 25 VAL MG1 1 26 GLU H . . 3.300 2.196 2.013 2.435 . 0 0 "[ . 1 . 2]" 1
696 1 25 VAL MG1 1 26 GLU HA . . 4.240 3.545 3.375 3.707 . 0 0 "[ . 1 . 2]" 1
697 1 25 VAL MG1 1 27 LEU H . . 4.000 3.715 3.382 4.002 0.002 11 0 "[ . 1 . 2]" 1
698 1 25 VAL MG1 1 27 LEU HA . . 4.490 4.225 4.017 4.429 . 0 0 "[ . 1 . 2]" 1
699 1 25 VAL MG1 1 27 LEU HG . . 3.290 2.614 2.451 2.756 . 0 0 "[ . 1 . 2]" 1
700 1 25 VAL MG1 1 68 ILE MD . . 3.220 2.472 2.085 2.871 . 0 0 "[ . 1 . 2]" 1
701 1 25 VAL MG1 1 68 ILE HG13 . . 3.890 3.735 3.406 3.898 0.008 12 0 "[ . 1 . 2]" 1
702 1 25 VAL MG2 1 26 GLU H . . 4.110 4.011 3.907 4.104 . 0 0 "[ . 1 . 2]" 1
703 1 25 VAL MG2 1 68 ILE HB . . 3.590 3.118 2.880 3.258 . 0 0 "[ . 1 . 2]" 1
704 1 25 VAL MG2 1 68 ILE HG12 . . 5.280 5.208 5.079 5.288 0.008 20 0 "[ . 1 . 2]" 1
705 1 25 VAL MG2 1 68 ILE HG13 . . 4.600 4.494 4.378 4.604 0.004 8 0 "[ . 1 . 2]" 1
706 1 25 VAL MG2 1 70 GLY H . . 5.500 5.207 5.047 5.389 . 0 0 "[ . 1 . 2]" 1
707 1 25 VAL MG2 1 71 ALA H . . 4.130 3.947 3.679 4.130 0.000 19 0 "[ . 1 . 2]" 1
708 1 25 VAL MG2 1 71 ALA HA . . 4.830 3.743 3.587 3.962 . 0 0 "[ . 1 . 2]" 1
709 1 25 VAL MG2 1 71 ALA MB . . 2.960 1.807 1.673 1.956 . 0 0 "[ . 1 . 2]" 1
710 1 26 GLU H 1 26 GLU HB2 . . 3.440 2.592 2.512 2.629 . 0 0 "[ . 1 . 2]" 1
711 1 26 GLU H 1 26 GLU HB3 . . 3.860 3.713 3.671 3.756 . 0 0 "[ . 1 . 2]" 1
712 1 26 GLU H 1 26 GLU HG2 . . 4.300 4.212 4.027 4.284 . 0 0 "[ . 1 . 2]" 1
713 1 26 GLU H 1 26 GLU HG3 . . 3.940 3.535 3.369 3.738 . 0 0 "[ . 1 . 2]" 1
714 1 26 GLU H 1 27 LEU H . . 4.420 4.068 3.947 4.200 . 0 0 "[ . 1 . 2]" 1
715 1 26 GLU HA 1 26 GLU HG2 . . 3.530 2.301 2.200 2.408 . 0 0 "[ . 1 . 2]" 1
716 1 26 GLU HA 1 26 GLU HG3 . . 3.900 3.063 2.982 3.186 . 0 0 "[ . 1 . 2]" 1
717 1 26 GLU HA 1 27 LEU H . . 2.760 2.153 2.139 2.175 . 0 0 "[ . 1 . 2]" 1
718 1 26 GLU HA 1 27 LEU HA . . 4.460 4.405 4.391 4.422 . 0 0 "[ . 1 . 2]" 1
719 1 26 GLU HA 1 65 ILE MG . . 3.600 3.453 3.339 3.601 0.001 10 0 "[ . 1 . 2]" 1
720 1 26 GLU HA 1 66 LEU QD . . 5.440 5.129 4.310 5.348 . 0 0 "[ . 1 . 2]" 1
721 1 26 GLU HA 1 67 ILE H . . 4.720 4.606 4.417 4.714 . 0 0 "[ . 1 . 2]" 1
722 1 26 GLU HA 1 67 ILE HA . . 3.560 2.384 2.270 2.488 . 0 0 "[ . 1 . 2]" 1
723 1 26 GLU HA 1 67 ILE MD . . 5.370 4.979 4.629 5.269 . 0 0 "[ . 1 . 2]" 1
724 1 26 GLU HA 1 67 ILE HG12 . . 4.530 3.794 3.509 4.124 . 0 0 "[ . 1 . 2]" 1
725 1 26 GLU HA 1 67 ILE HG13 . . 5.310 5.019 4.723 5.251 . 0 0 "[ . 1 . 2]" 1
726 1 26 GLU HA 1 68 ILE H . . 4.040 3.790 3.637 3.999 . 0 0 "[ . 1 . 2]" 1
727 1 26 GLU HB2 1 27 LEU H . . 4.890 4.486 4.373 4.539 . 0 0 "[ . 1 . 2]" 1
728 1 26 GLU HB2 1 65 ILE MG . . 4.300 4.235 3.966 4.308 0.008 12 0 "[ . 1 . 2]" 1
729 1 26 GLU HB3 1 27 LEU H . . 3.960 3.684 3.454 3.824 . 0 0 "[ . 1 . 2]" 1
730 1 26 GLU HB3 1 65 ILE MG . . 3.100 2.790 2.533 2.893 . 0 0 "[ . 1 . 2]" 1
731 1 26 GLU HG2 1 27 LEU H . . 4.390 4.209 4.038 4.386 . 0 0 "[ . 1 . 2]" 1
732 1 26 GLU HG2 1 65 ILE MG . . 3.430 3.191 3.055 3.390 . 0 0 "[ . 1 . 2]" 1
733 1 26 GLU HG2 1 67 ILE MD . . 4.390 4.246 3.963 4.391 0.001 8 0 "[ . 1 . 2]" 1
734 1 26 GLU HG2 1 67 ILE HG12 . . 3.940 2.726 2.340 2.984 . 0 0 "[ . 1 . 2]" 1
735 1 26 GLU HG2 1 67 ILE HG13 . . 3.730 3.287 2.899 3.588 . 0 0 "[ . 1 . 2]" 1
736 1 26 GLU HG2 1 67 ILE MG . . 4.400 4.177 3.948 4.364 . 0 0 "[ . 1 . 2]" 1
737 1 26 GLU HG2 1 68 ILE H . . 5.390 4.130 3.891 4.265 . 0 0 "[ . 1 . 2]" 1
738 1 26 GLU HG3 1 65 ILE MG . . 4.590 4.441 4.286 4.599 0.009 2 0 "[ . 1 . 2]" 1
739 1 26 GLU HG3 1 67 ILE MD . . 5.170 4.489 4.078 4.725 . 0 0 "[ . 1 . 2]" 1
740 1 26 GLU HG3 1 67 ILE HG12 . . 4.300 3.048 2.567 3.307 . 0 0 "[ . 1 . 2]" 1
741 1 26 GLU HG3 1 67 ILE HG13 . . 4.230 3.777 3.358 4.146 . 0 0 "[ . 1 . 2]" 1
742 1 26 GLU HG3 1 67 ILE MG . . 5.500 5.202 4.939 5.361 . 0 0 "[ . 1 . 2]" 1
743 1 26 GLU HG3 1 68 ILE H . . 5.500 4.416 3.973 4.730 . 0 0 "[ . 1 . 2]" 1
744 1 27 LEU H 1 27 LEU HB2 . . 3.380 2.590 2.523 2.623 . 0 0 "[ . 1 . 2]" 1
745 1 27 LEU H 1 27 LEU HB3 . . 3.820 3.690 3.656 3.729 . 0 0 "[ . 1 . 2]" 1
746 1 27 LEU H 1 27 LEU MD1 . . 4.210 3.762 3.653 3.877 . 0 0 "[ . 1 . 2]" 1
747 1 27 LEU H 1 27 LEU MD2 . . 4.300 3.544 3.383 3.696 . 0 0 "[ . 1 . 2]" 1
748 1 27 LEU H 1 27 LEU HG . . 3.560 2.509 2.366 2.683 . 0 0 "[ . 1 . 2]" 1
749 1 27 LEU H 1 28 GLU H . . 4.640 4.301 4.227 4.379 . 0 0 "[ . 1 . 2]" 1
750 1 27 LEU H 1 65 ILE HA . . 4.690 4.378 4.141 4.519 . 0 0 "[ . 1 . 2]" 1
751 1 27 LEU H 1 65 ILE MG . . 3.730 3.460 3.243 3.729 . 0 0 "[ . 1 . 2]" 1
752 1 27 LEU H 1 66 LEU H . . 3.550 3.025 2.792 3.230 . 0 0 "[ . 1 . 2]" 1
753 1 27 LEU H 1 66 LEU HB2 . . 4.990 4.733 4.554 4.948 . 0 0 "[ . 1 . 2]" 1
754 1 27 LEU H 1 66 LEU HB3 . . 4.140 3.223 3.048 3.442 . 0 0 "[ . 1 . 2]" 1
755 1 27 LEU H 1 66 LEU QD . . 4.940 4.160 3.527 4.405 . 0 0 "[ . 1 . 2]" 1
756 1 27 LEU HA 1 27 LEU MD1 . . 4.230 3.915 3.889 3.942 . 0 0 "[ . 1 . 2]" 1
757 1 27 LEU HA 1 27 LEU MD2 . . 3.000 2.038 1.977 2.170 . 0 0 "[ . 1 . 2]" 1
758 1 27 LEU HA 1 27 LEU HG . . 3.830 3.196 3.114 3.253 . 0 0 "[ . 1 . 2]" 1
759 1 27 LEU HA 1 28 GLU H . . 2.780 2.146 2.140 2.152 . 0 0 "[ . 1 . 2]" 1
760 1 27 LEU HA 1 28 GLU QB . . 4.300 4.112 4.069 4.134 . 0 0 "[ . 1 . 2]" 1
761 1 27 LEU HA 1 92 LEU QD . . 5.440 5.387 5.188 5.442 0.002 11 0 "[ . 1 . 2]" 1
762 1 27 LEU HB2 1 27 LEU MD1 . . 3.140 2.257 2.155 2.365 . 0 0 "[ . 1 . 2]" 1
763 1 27 LEU HB2 1 28 GLU H . . 4.340 4.282 4.211 4.329 . 0 0 "[ . 1 . 2]" 1
764 1 27 LEU HB2 1 40 TRP HH2 . . 4.490 3.241 2.980 3.564 . 0 0 "[ . 1 . 2]" 1
765 1 27 LEU HB2 1 40 TRP HZ3 . . 4.550 2.742 2.506 3.036 . 0 0 "[ . 1 . 2]" 1
766 1 27 LEU HB2 1 66 LEU H . . 4.040 2.968 2.842 3.121 . 0 0 "[ . 1 . 2]" 1
767 1 27 LEU HB2 1 66 LEU HB2 . . 4.280 3.680 3.520 3.765 . 0 0 "[ . 1 . 2]" 1
768 1 27 LEU HB2 1 66 LEU HB3 . . 3.500 2.209 2.004 2.473 . 0 0 "[ . 1 . 2]" 1
769 1 27 LEU HB2 1 66 LEU MD1 . . 5.460 4.853 4.005 5.115 . 0 0 "[ . 1 . 2]" 1
770 1 27 LEU HB2 1 66 LEU QD . . 3.970 3.147 2.988 3.352 . 0 0 "[ . 1 . 2]" 1
771 1 27 LEU HB2 1 66 LEU MD2 . . 5.460 3.200 3.014 3.595 . 0 0 "[ . 1 . 2]" 1
772 1 27 LEU HB3 1 27 LEU MD1 . . 3.250 2.410 2.293 2.511 . 0 0 "[ . 1 . 2]" 1
773 1 27 LEU HB3 1 27 LEU MD2 . . 3.440 2.357 2.259 2.407 . 0 0 "[ . 1 . 2]" 1
774 1 27 LEU HB3 1 28 GLU H . . 3.960 3.600 3.448 3.669 . 0 0 "[ . 1 . 2]" 1
775 1 27 LEU HB3 1 40 TRP HH2 . . 4.510 3.562 3.241 3.849 . 0 0 "[ . 1 . 2]" 1
776 1 27 LEU HB3 1 40 TRP HZ3 . . 4.410 2.937 2.691 3.206 . 0 0 "[ . 1 . 2]" 1
777 1 27 LEU HB3 1 66 LEU H . . 4.760 4.357 4.167 4.500 . 0 0 "[ . 1 . 2]" 1
778 1 27 LEU HB3 1 66 LEU HB2 . . 5.320 5.233 5.059 5.326 0.006 17 0 "[ . 1 . 2]" 1
779 1 27 LEU HB3 1 66 LEU HB3 . . 4.420 3.914 3.659 4.211 . 0 0 "[ . 1 . 2]" 1
780 1 27 LEU HB3 1 66 LEU QD . . 4.530 4.231 4.022 4.536 0.006 8 0 "[ . 1 . 2]" 1
781 1 27 LEU MD1 1 40 TRP HH2 . . 4.630 4.240 3.992 4.539 . 0 0 "[ . 1 . 2]" 1
782 1 27 LEU MD1 1 40 TRP HZ3 . . 3.570 2.506 2.245 2.877 . 0 0 "[ . 1 . 2]" 1
783 1 27 LEU MD1 1 66 LEU H . . 5.050 4.567 4.414 4.727 . 0 0 "[ . 1 . 2]" 1
784 1 27 LEU MD1 1 66 LEU HB2 . . 5.300 4.106 3.920 4.305 . 0 0 "[ . 1 . 2]" 1
785 1 27 LEU MD1 1 66 LEU HB3 . . 4.520 2.891 2.707 3.111 . 0 0 "[ . 1 . 2]" 1
786 1 27 LEU MD1 1 79 TYR H . . 5.370 4.300 4.063 4.545 . 0 0 "[ . 1 . 2]" 1
787 1 27 LEU MD1 1 79 TYR HB2 . . 3.490 2.462 2.243 2.711 . 0 0 "[ . 1 . 2]" 1
788 1 27 LEU MD1 1 79 TYR HB3 . . 3.670 2.746 2.563 3.079 . 0 0 "[ . 1 . 2]" 1
789 1 27 LEU MD1 1 79 TYR QD . . 3.560 3.086 2.885 3.234 . 0 0 "[ . 1 . 2]" 1
790 1 27 LEU MD1 1 90 ALA MB . . 4.210 3.277 2.860 3.656 . 0 0 "[ . 1 . 2]" 1
791 1 27 LEU MD1 1 92 LEU HB2 . . 4.620 3.885 3.694 4.068 . 0 0 "[ . 1 . 2]" 1
792 1 27 LEU MD1 1 92 LEU HB3 . . 5.220 5.059 4.736 5.222 0.002 11 0 "[ . 1 . 2]" 1
793 1 27 LEU MD1 1 92 LEU QD . . 3.650 3.178 3.000 3.301 . 0 0 "[ . 1 . 2]" 1
794 1 27 LEU MD2 1 28 GLU H . . 3.900 3.793 3.699 3.900 . 0 0 "[ . 1 . 2]" 1
795 1 27 LEU MD2 1 40 TRP HZ3 . . 4.590 4.419 4.097 4.600 0.010 18 0 "[ . 1 . 2]" 1
796 1 27 LEU MD2 1 79 TYR HB2 . . 4.430 3.976 3.714 4.233 . 0 0 "[ . 1 . 2]" 1
797 1 27 LEU MD2 1 79 TYR QD . . 4.670 4.411 4.020 4.589 . 0 0 "[ . 1 . 2]" 1
798 1 27 LEU HG 1 66 LEU HB2 . . 5.450 5.362 5.148 5.454 0.004 18 0 "[ . 1 . 2]" 1
799 1 27 LEU HG 1 66 LEU HB3 . . 3.820 3.613 3.393 3.735 . 0 0 "[ . 1 . 2]" 1
800 1 27 LEU HG 1 66 LEU QD . . 4.190 3.601 3.134 3.976 . 0 0 "[ . 1 . 2]" 1
801 1 28 GLU H 1 28 GLU QB . . 3.320 2.379 2.339 2.402 . 0 0 "[ . 1 . 2]" 1
802 1 28 GLU H 1 28 GLU HG2 . . 4.560 4.485 4.448 4.514 . 0 0 "[ . 1 . 2]" 1
803 1 28 GLU H 1 28 GLU HG3 . . 4.630 4.616 4.547 4.735 0.105 8 0 "[ . 1 . 2]" 1
804 1 28 GLU H 1 29 CYS H . . 4.650 4.553 4.539 4.569 . 0 0 "[ . 1 . 2]" 1
805 1 28 GLU H 1 40 TRP HH2 . . 5.440 4.978 4.794 5.109 . 0 0 "[ . 1 . 2]" 1
806 1 28 GLU H 1 65 ILE HG13 . . 5.050 4.876 4.596 4.975 . 0 0 "[ . 1 . 2]" 1
807 1 28 GLU HA 1 28 GLU HG2 . . 4.180 2.636 2.403 2.872 . 0 0 "[ . 1 . 2]" 1
808 1 28 GLU HA 1 28 GLU HG3 . . 4.130 2.813 2.657 3.549 . 0 0 "[ . 1 . 2]" 1
809 1 28 GLU HA 1 29 CYS H . . 2.660 2.280 2.241 2.358 . 0 0 "[ . 1 . 2]" 1
810 1 28 GLU HA 1 29 CYS HA . . 5.130 4.495 4.469 4.538 . 0 0 "[ . 1 . 2]" 1
811 1 28 GLU HA 1 40 TRP HH2 . . 4.260 3.944 3.615 4.116 . 0 0 "[ . 1 . 2]" 1
812 1 28 GLU HA 1 40 TRP HZ2 . . 5.110 4.850 4.676 5.006 . 0 0 "[ . 1 . 2]" 1
813 1 28 GLU HA 1 65 ILE HA . . 3.200 2.378 2.152 2.508 . 0 0 "[ . 1 . 2]" 1
814 1 28 GLU HA 1 65 ILE MD . . 4.500 3.872 3.687 3.992 . 0 0 "[ . 1 . 2]" 1
815 1 28 GLU HA 1 65 ILE HG12 . . 4.150 3.972 3.780 4.061 . 0 0 "[ . 1 . 2]" 1
816 1 28 GLU HA 1 65 ILE HG13 . . 3.900 2.440 2.249 2.538 . 0 0 "[ . 1 . 2]" 1
817 1 28 GLU HA 1 65 ILE MG . . 4.010 3.531 3.310 3.676 . 0 0 "[ . 1 . 2]" 1
818 1 28 GLU HA 1 66 LEU H . . 4.020 3.751 3.611 3.894 . 0 0 "[ . 1 . 2]" 1
819 1 28 GLU QB 1 29 CYS H . . 3.480 3.433 3.347 3.496 0.016 17 0 "[ . 1 . 2]" 1
820 1 28 GLU QB 1 29 CYS HA . . 4.430 4.246 4.179 4.308 . 0 0 "[ . 1 . 2]" 1
821 1 28 GLU QB 1 65 ILE HA . . 4.170 3.996 3.715 4.158 . 0 0 "[ . 1 . 2]" 1
822 1 28 GLU QB 1 65 ILE HG12 . . 3.870 3.609 3.050 3.795 . 0 0 "[ . 1 . 2]" 1
823 1 28 GLU QB 1 65 ILE HG13 . . 4.040 3.060 2.584 3.228 . 0 0 "[ . 1 . 2]" 1
824 1 28 GLU QB 1 65 ILE MG . . 3.820 3.475 3.111 3.814 . 0 0 "[ . 1 . 2]" 1
825 1 28 GLU HG2 1 29 CYS H . . 3.930 1.994 1.910 2.151 . 0 0 "[ . 1 . 2]" 1
826 1 28 GLU HG2 1 29 CYS HA . . 5.020 3.765 3.460 4.280 . 0 0 "[ . 1 . 2]" 1
827 1 28 GLU HG2 1 63 LYS HG2 . . 4.870 4.836 4.713 4.922 0.052 20 0 "[ . 1 . 2]" 1
828 1 28 GLU HG2 1 63 LYS QG . . 4.280 3.277 2.990 3.803 . 0 0 "[ . 1 . 2]" 1
829 1 28 GLU HG2 1 63 LYS HG3 . . 4.870 3.346 3.024 3.980 . 0 0 "[ . 1 . 2]" 1
830 1 28 GLU HG2 1 64 HIS H . . 5.300 4.289 3.765 4.547 . 0 0 "[ . 1 . 2]" 1
831 1 28 GLU HG2 1 65 ILE HA . . 5.050 4.494 3.798 4.831 . 0 0 "[ . 1 . 2]" 1
832 1 28 GLU HG2 1 65 ILE MD . . 4.240 3.579 2.770 3.990 . 0 0 "[ . 1 . 2]" 1
833 1 28 GLU HG2 1 65 ILE HG12 . . 4.750 4.349 3.439 4.737 . 0 0 "[ . 1 . 2]" 1
834 1 28 GLU HG2 1 65 ILE HG13 . . 4.570 3.099 2.150 3.513 . 0 0 "[ . 1 . 2]" 1
835 1 28 GLU HG3 1 29 CYS H . . 3.940 3.286 2.861 3.568 . 0 0 "[ . 1 . 2]" 1
836 1 28 GLU HG3 1 29 CYS HA . . 5.500 5.427 5.095 5.523 0.023 20 0 "[ . 1 . 2]" 1
837 1 28 GLU HG3 1 63 LYS QG . . 4.370 3.197 2.910 3.764 . 0 0 "[ . 1 . 2]" 1
838 1 28 GLU HG3 1 64 HIS H . . 5.360 5.207 4.740 5.364 0.004 8 0 "[ . 1 . 2]" 1
839 1 28 GLU HG3 1 65 ILE HA . . 5.310 4.077 3.932 4.913 . 0 0 "[ . 1 . 2]" 1
840 1 28 GLU HG3 1 65 ILE MD . . 4.130 2.795 2.643 3.223 . 0 0 "[ . 1 . 2]" 1
841 1 28 GLU HG3 1 65 ILE HG12 . . 3.990 2.816 2.674 3.280 . 0 0 "[ . 1 . 2]" 1
842 1 28 GLU HG3 1 65 ILE HG13 . . 4.040 2.098 2.007 2.873 . 0 0 "[ . 1 . 2]" 1
843 1 29 CYS H 1 29 CYS HB3 . . 4.190 3.405 3.292 3.714 . 0 0 "[ . 1 . 2]" 1
844 1 29 CYS H 1 29 CYS HG . . 3.980 3.456 2.886 3.915 . 0 0 "[ . 1 . 2]" 1
845 1 29 CYS H 1 30 GLU H . . 4.590 4.366 4.349 4.377 . 0 0 "[ . 1 . 2]" 1
846 1 29 CYS H 1 40 TRP HH2 . . 4.890 4.358 4.149 4.600 . 0 0 "[ . 1 . 2]" 1
847 1 29 CYS H 1 40 TRP HZ2 . . 5.180 4.827 4.598 5.105 . 0 0 "[ . 1 . 2]" 1
848 1 29 CYS H 1 64 HIS H . . 3.540 3.036 2.822 3.185 . 0 0 "[ . 1 . 2]" 1
849 1 29 CYS H 1 64 HIS HB2 . . 4.290 4.084 3.935 4.168 . 0 0 "[ . 1 . 2]" 1
850 1 29 CYS H 1 65 ILE HA . . 4.070 3.926 3.861 4.029 . 0 0 "[ . 1 . 2]" 1
851 1 29 CYS H 1 65 ILE HG12 . . 5.290 5.212 4.944 5.299 0.009 17 0 "[ . 1 . 2]" 1
852 1 29 CYS H 1 65 ILE HG13 . . 4.240 3.535 3.308 3.623 . 0 0 "[ . 1 . 2]" 1
853 1 29 CYS H 1 65 ILE MG . . 5.490 5.242 5.105 5.372 . 0 0 "[ . 1 . 2]" 1
854 1 29 CYS H 1 66 LEU H . . 5.500 5.405 5.268 5.506 0.006 20 0 "[ . 1 . 2]" 1
855 1 29 CYS HA 1 29 CYS HB2 . . 3.020 2.425 2.345 2.630 . 0 0 "[ . 1 . 2]" 1
856 1 29 CYS HA 1 30 GLU H . . 2.910 2.434 2.335 2.542 . 0 0 "[ . 1 . 2]" 1
857 1 29 CYS HA 1 30 GLU HA . . 5.500 4.457 4.414 4.500 . 0 0 "[ . 1 . 2]" 1
858 1 29 CYS HA 1 30 GLU HG3 . . 5.020 4.213 4.075 4.344 . 0 0 "[ . 1 . 2]" 1
859 1 29 CYS HB2 1 30 GLU H . . 3.210 2.427 2.229 2.611 . 0 0 "[ . 1 . 2]" 1
860 1 29 CYS HB2 1 31 VAL MG1 . . 4.860 4.591 4.194 4.811 . 0 0 "[ . 1 . 2]" 1
861 1 29 CYS HB2 1 81 VAL MG1 . . 4.800 4.569 4.360 4.724 . 0 0 "[ . 1 . 2]" 1
862 1 29 CYS HB2 1 81 VAL MG2 . . 5.080 4.376 4.159 4.513 . 0 0 "[ . 1 . 2]" 1
863 1 29 CYS HB3 1 30 GLU H . . 3.860 3.789 3.531 3.869 0.009 20 0 "[ . 1 . 2]" 1
864 1 29 CYS HB3 1 40 TRP HH2 . . 5.300 3.377 3.025 4.028 . 0 0 "[ . 1 . 2]" 1
865 1 29 CYS HB3 1 81 VAL MG1 . . 4.550 4.204 3.929 4.342 . 0 0 "[ . 1 . 2]" 1
866 1 29 CYS HB3 1 81 VAL MG2 . . 5.040 4.737 4.533 4.871 . 0 0 "[ . 1 . 2]" 1
867 1 29 CYS HG 1 30 GLU H . . 5.500 5.013 4.546 5.285 . 0 0 "[ . 1 . 2]" 1
868 1 29 CYS HG 1 40 TRP HH2 . . 4.040 2.335 2.000 3.620 . 0 0 "[ . 1 . 2]" 1
869 1 29 CYS HG 1 40 TRP HZ2 . . 4.350 2.426 2.164 3.243 . 0 0 "[ . 1 . 2]" 1
870 1 29 CYS HG 1 64 HIS H . . 4.950 3.691 3.089 4.340 . 0 0 "[ . 1 . 2]" 1
871 1 29 CYS HG 1 64 HIS HB2 . . 4.170 2.481 2.158 2.958 . 0 0 "[ . 1 . 2]" 1
872 1 29 CYS HG 1 64 HIS HB3 . . 4.480 3.661 3.366 4.094 . 0 0 "[ . 1 . 2]" 1
873 1 29 CYS HG 1 81 VAL MG1 . . 4.110 3.590 2.935 4.089 . 0 0 "[ . 1 . 2]" 1
874 1 30 GLU H 1 30 GLU HB2 . . 3.700 2.559 2.455 2.657 . 0 0 "[ . 1 . 2]" 1
875 1 30 GLU H 1 30 GLU HB3 . . 3.970 3.647 3.590 3.699 . 0 0 "[ . 1 . 2]" 1
876 1 30 GLU H 1 30 GLU HG2 . . 4.980 4.447 4.279 4.663 . 0 0 "[ . 1 . 2]" 1
877 1 30 GLU H 1 30 GLU HG3 . . 4.610 3.665 3.524 3.749 . 0 0 "[ . 1 . 2]" 1
878 1 30 GLU H 1 31 VAL H . . 4.780 4.448 4.406 4.483 . 0 0 "[ . 1 . 2]" 1
879 1 30 GLU H 1 31 VAL MG1 . . 4.660 4.399 4.112 4.610 . 0 0 "[ . 1 . 2]" 1
880 1 30 GLU H 1 64 HIS H . . 5.310 4.707 4.590 4.813 . 0 0 "[ . 1 . 2]" 1
881 1 30 GLU HA 1 30 GLU HG2 . . 3.630 2.378 2.239 2.578 . 0 0 "[ . 1 . 2]" 1
882 1 30 GLU HA 1 30 GLU HG3 . . 4.030 2.814 2.579 2.974 . 0 0 "[ . 1 . 2]" 1
883 1 30 GLU HA 1 31 VAL H . . 2.770 2.337 2.280 2.418 . 0 0 "[ . 1 . 2]" 1
884 1 30 GLU HA 1 31 VAL MG1 . . 4.190 3.798 3.483 3.962 . 0 0 "[ . 1 . 2]" 1
885 1 30 GLU HA 1 31 VAL MG2 . . 3.960 3.561 3.400 3.767 . 0 0 "[ . 1 . 2]" 1
886 1 30 GLU HA 1 62 LYS HB2 . . 5.230 5.063 4.708 5.238 0.008 13 0 "[ . 1 . 2]" 1
887 1 30 GLU HA 1 62 LYS HB3 . . 5.500 4.977 4.738 5.298 . 0 0 "[ . 1 . 2]" 1
888 1 30 GLU HA 1 63 LYS HA . . 3.110 2.002 1.989 2.016 . 0 0 "[ . 1 . 2]" 1
889 1 30 GLU HA 1 64 HIS H . . 3.610 3.287 3.186 3.414 . 0 0 "[ . 1 . 2]" 1
890 1 30 GLU HA 1 64 HIS HD2 . . 4.400 4.061 3.790 4.378 . 0 0 "[ . 1 . 2]" 1
891 1 30 GLU HB2 1 31 VAL H . . 4.110 3.988 3.854 4.103 . 0 0 "[ . 1 . 2]" 1
892 1 30 GLU HB2 1 63 LYS HA . . 4.990 4.666 4.540 4.770 . 0 0 "[ . 1 . 2]" 1
893 1 30 GLU HB3 1 31 VAL H . . 3.640 2.668 2.463 2.842 . 0 0 "[ . 1 . 2]" 1
894 1 30 GLU HB3 1 31 VAL HA . . 5.500 4.224 4.163 4.284 . 0 0 "[ . 1 . 2]" 1
895 1 30 GLU HB3 1 31 VAL MG1 . . 4.950 4.884 4.714 4.957 0.007 10 0 "[ . 1 . 2]" 1
896 1 30 GLU HB3 1 31 VAL MG2 . . 4.620 4.353 4.132 4.484 . 0 0 "[ . 1 . 2]" 1
897 1 30 GLU HB3 1 62 LYS HB2 . . 4.870 4.743 4.479 4.869 . 0 0 "[ . 1 . 2]" 1
898 1 30 GLU HG2 1 31 VAL H . . 4.060 3.445 3.343 3.530 . 0 0 "[ . 1 . 2]" 1
899 1 30 GLU HG2 1 62 LYS HB2 . . 4.600 3.683 3.463 3.798 . 0 0 "[ . 1 . 2]" 1
900 1 30 GLU HG2 1 62 LYS HB3 . . 5.500 4.366 3.985 4.943 . 0 0 "[ . 1 . 2]" 1
901 1 30 GLU HG2 1 63 LYS H . . 4.860 4.167 3.991 4.297 . 0 0 "[ . 1 . 2]" 1
902 1 30 GLU HG2 1 63 LYS HA . . 3.470 2.778 2.600 2.894 . 0 0 "[ . 1 . 2]" 1
903 1 30 GLU HG2 1 63 LYS QD . . 5.010 4.175 3.911 4.585 . 0 0 "[ . 1 . 2]" 1
904 1 30 GLU HG2 1 63 LYS HE2 . . 5.500 4.583 3.834 5.498 . 0 0 "[ . 1 . 2]" 1
905 1 30 GLU HG2 1 63 LYS QE . . 4.620 3.896 3.202 4.513 . 0 0 "[ . 1 . 2]" 1
906 1 30 GLU HG2 1 63 LYS HE3 . . 5.500 4.729 3.252 5.502 0.002 8 0 "[ . 1 . 2]" 1
907 1 30 GLU HG2 1 63 LYS HG2 . . 5.100 4.691 4.298 5.098 . 0 0 "[ . 1 . 2]" 1
908 1 30 GLU HG2 1 63 LYS QG . . 4.380 4.231 4.018 4.382 0.002 19 0 "[ . 1 . 2]" 1
909 1 30 GLU HG2 1 63 LYS HG3 . . 5.100 4.836 4.684 5.002 . 0 0 "[ . 1 . 2]" 1
910 1 30 GLU HG2 1 64 HIS H . . 4.840 4.717 4.550 4.819 . 0 0 "[ . 1 . 2]" 1
911 1 30 GLU HG3 1 31 VAL H . . 4.800 4.574 4.391 4.692 . 0 0 "[ . 1 . 2]" 1
912 1 30 GLU HG3 1 62 LYS HB2 . . 5.420 5.381 5.183 5.423 0.003 18 0 "[ . 1 . 2]" 1
913 1 30 GLU HG3 1 63 LYS HA . . 4.020 3.432 3.009 3.855 . 0 0 "[ . 1 . 2]" 1
914 1 30 GLU HG3 1 63 LYS QE . . 5.340 3.959 2.990 4.679 . 0 0 "[ . 1 . 2]" 1
915 1 30 GLU HG3 1 63 LYS QG . . 5.090 4.259 3.900 4.512 . 0 0 "[ . 1 . 2]" 1
916 1 30 GLU HG3 1 64 HIS H . . 5.500 4.728 4.159 5.159 . 0 0 "[ . 1 . 2]" 1
917 1 31 VAL H 1 31 VAL MG1 . . 3.320 3.167 2.981 3.331 0.011 9 0 "[ . 1 . 2]" 1
918 1 31 VAL H 1 31 VAL MG2 . . 3.020 2.058 1.887 2.235 . 0 0 "[ . 1 . 2]" 1
919 1 31 VAL H 1 32 SER H . . 4.540 4.410 4.385 4.454 . 0 0 "[ . 1 . 2]" 1
920 1 31 VAL H 1 32 SER HA . . 5.500 5.070 5.002 5.137 . 0 0 "[ . 1 . 2]" 1
921 1 31 VAL H 1 33 GLU H . . 5.310 5.023 4.283 5.293 . 0 0 "[ . 1 . 2]" 1
922 1 31 VAL H 1 36 ALA MB . . 5.500 5.356 4.780 5.503 0.003 14 0 "[ . 1 . 2]" 1
923 1 31 VAL H 1 62 LYS HA . . 4.510 4.425 4.239 4.523 0.013 20 0 "[ . 1 . 2]" 1
924 1 31 VAL H 1 62 LYS HB2 . . 4.680 4.375 3.913 4.577 . 0 0 "[ . 1 . 2]" 1
925 1 31 VAL H 1 62 LYS HB3 . . 4.180 3.564 3.354 3.816 . 0 0 "[ . 1 . 2]" 1
926 1 31 VAL H 1 63 LYS HA . . 4.090 3.522 3.393 3.750 . 0 0 "[ . 1 . 2]" 1
927 1 31 VAL H 1 64 HIS HD2 . . 4.690 4.484 4.197 4.676 . 0 0 "[ . 1 . 2]" 1
928 1 31 VAL HA 1 31 VAL MG1 . . 3.110 2.186 2.070 2.340 . 0 0 "[ . 1 . 2]" 1
929 1 31 VAL HA 1 32 SER H . . 3.050 2.599 2.488 2.640 . 0 0 "[ . 1 . 2]" 1
930 1 31 VAL HA 1 32 SER HA . . 4.650 4.328 4.306 4.340 . 0 0 "[ . 1 . 2]" 1
931 1 31 VAL HA 1 32 SER QB . . 4.760 4.312 4.219 4.483 . 0 0 "[ . 1 . 2]" 1
932 1 31 VAL HA 1 33 GLU H . . 4.800 4.477 4.083 4.680 . 0 0 "[ . 1 . 2]" 1
933 1 31 VAL HB 1 32 SER H . . 3.010 1.969 1.890 2.185 . 0 0 "[ . 1 . 2]" 1
934 1 31 VAL HB 1 32 SER HA . . 5.020 4.487 4.384 4.611 . 0 0 "[ . 1 . 2]" 1
935 1 31 VAL HB 1 32 SER HB2 . . 5.400 4.941 4.551 5.424 0.024 6 0 "[ . 1 . 2]" 1
936 1 31 VAL HB 1 32 SER QB . . 4.740 3.990 3.779 4.395 . 0 0 "[ . 1 . 2]" 1
937 1 31 VAL HB 1 32 SER HB3 . . 5.400 4.217 3.987 4.685 . 0 0 "[ . 1 . 2]" 1
938 1 31 VAL HB 1 33 GLU H . . 3.600 2.626 2.368 2.933 . 0 0 "[ . 1 . 2]" 1
939 1 31 VAL HB 1 36 ALA MB . . 3.920 3.689 2.867 3.921 0.001 12 0 "[ . 1 . 2]" 1
940 1 31 VAL HB 1 83 THR MG . . 4.070 3.908 3.623 4.071 0.001 15 0 "[ . 1 . 2]" 1
941 1 31 VAL MG1 1 32 SER H . . 3.700 3.366 3.167 3.498 . 0 0 "[ . 1 . 2]" 1
942 1 31 VAL MG1 1 33 GLU H . . 4.420 4.211 3.991 4.414 . 0 0 "[ . 1 . 2]" 1
943 1 31 VAL MG1 1 36 ALA MB . . 3.950 3.216 2.540 3.446 . 0 0 "[ . 1 . 2]" 1
944 1 31 VAL MG1 1 38 VAL MG1 . . 4.490 2.251 2.159 2.479 . 0 0 "[ . 1 . 2]" 1
945 1 31 VAL MG1 1 38 VAL QG . . 2.990 2.241 2.151 2.463 . 0 0 "[ . 1 . 2]" 1
946 1 31 VAL MG1 1 38 VAL MG2 . . 4.490 4.140 4.005 4.292 . 0 0 "[ . 1 . 2]" 1
947 1 31 VAL MG1 1 64 HIS HB2 . . 4.810 4.558 4.180 4.810 . 0 0 "[ . 1 . 2]" 1
948 1 31 VAL MG1 1 64 HIS HD2 . . 3.560 3.352 3.141 3.538 . 0 0 "[ . 1 . 2]" 1
949 1 31 VAL MG1 1 83 THR HB . . 4.650 3.776 3.452 4.029 . 0 0 "[ . 1 . 2]" 1
950 1 31 VAL MG1 1 83 THR MG . . 3.010 2.154 1.896 2.317 . 0 0 "[ . 1 . 2]" 1
951 1 31 VAL MG2 1 32 SER H . . 3.770 3.299 3.067 3.538 . 0 0 "[ . 1 . 2]" 1
952 1 31 VAL MG2 1 33 GLU H . . 2.970 2.758 2.349 3.007 0.037 9 0 "[ . 1 . 2]" 1
953 1 31 VAL MG2 1 36 ALA H . . 4.230 3.450 2.842 3.702 . 0 0 "[ . 1 . 2]" 1
954 1 31 VAL MG2 1 36 ALA MB . . 2.860 2.244 1.762 2.440 . 0 0 "[ . 1 . 2]" 1
955 1 31 VAL MG2 1 38 VAL QG . . 3.490 3.292 3.129 3.477 . 0 0 "[ . 1 . 2]" 1
956 1 31 VAL MG2 1 62 LYS HA . . 3.600 3.247 3.051 3.458 . 0 0 "[ . 1 . 2]" 1
957 1 31 VAL MG2 1 62 LYS HB2 . . 4.640 4.366 3.955 4.522 . 0 0 "[ . 1 . 2]" 1
958 1 31 VAL MG2 1 62 LYS HB3 . . 3.870 3.111 2.917 3.328 . 0 0 "[ . 1 . 2]" 1
959 1 31 VAL MG2 1 64 HIS H . . 5.030 4.572 4.190 4.960 . 0 0 "[ . 1 . 2]" 1
960 1 31 VAL MG2 1 64 HIS HD2 . . 3.200 2.826 2.573 3.072 . 0 0 "[ . 1 . 2]" 1
961 1 31 VAL MG2 1 64 HIS HE1 . . 5.480 5.097 4.658 5.408 . 0 0 "[ . 1 . 2]" 1
962 1 31 VAL MG2 1 83 THR MG . . 4.240 4.066 3.845 4.222 . 0 0 "[ . 1 . 2]" 1
963 1 32 SER H 1 32 SER HB2 . . 3.830 3.040 2.606 3.630 . 0 0 "[ . 1 . 2]" 1
964 1 32 SER H 1 32 SER QB . . 3.220 2.370 2.216 2.711 . 0 0 "[ . 1 . 2]" 1
965 1 32 SER H 1 32 SER HB3 . . 3.830 2.501 2.323 2.800 . 0 0 "[ . 1 . 2]" 1
966 1 32 SER H 1 33 GLU H . . 3.680 2.406 2.296 2.535 . 0 0 "[ . 1 . 2]" 1
967 1 32 SER HA 1 33 GLU QG . . 5.500 5.002 4.359 5.507 0.007 20 0 "[ . 1 . 2]" 1
968 1 32 SER QB 1 33 GLU QG . . 4.240 3.493 2.858 4.181 . 0 0 "[ . 1 . 2]" 1
969 1 33 GLU H 1 33 GLU QB . . 3.340 2.405 2.185 3.099 . 0 0 "[ . 1 . 2]" 1
970 1 33 GLU H 1 33 GLU QG . . 3.990 2.942 2.004 3.822 . 0 0 "[ . 1 . 2]" 1
971 1 33 GLU H 1 34 ASP H . . 4.780 4.493 4.374 4.559 . 0 0 "[ . 1 . 2]" 1
972 1 33 GLU H 1 36 ALA MB . . 4.190 3.836 3.151 4.104 . 0 0 "[ . 1 . 2]" 1
973 1 33 GLU H 1 62 LYS QE . . 5.340 4.711 4.211 4.983 . 0 0 "[ . 1 . 2]" 1
974 1 33 GLU HA 1 33 GLU QG . . 3.270 2.563 2.171 3.253 . 0 0 "[ . 1 . 2]" 1
975 1 33 GLU HA 1 34 ASP H . . 3.000 2.484 2.168 2.648 . 0 0 "[ . 1 . 2]" 1
976 1 33 GLU QB 1 34 ASP H . . 3.460 2.255 1.933 3.068 . 0 0 "[ . 1 . 2]" 1
977 1 33 GLU QB 1 36 ALA MB . . 3.510 2.694 2.364 3.408 . 0 0 "[ . 1 . 2]" 1
978 1 33 GLU HB2 1 34 ASP H . . 4.090 3.551 2.138 4.124 0.034 9 0 "[ . 1 . 2]" 1
979 1 33 GLU HB3 1 34 ASP H . . 4.090 2.339 1.943 3.255 . 0 0 "[ . 1 . 2]" 1
980 1 33 GLU QG 1 34 ASP H . . 4.450 3.868 3.471 4.497 0.047 9 0 "[ . 1 . 2]" 1
981 1 33 GLU QG 1 36 ALA MB . . 4.690 4.065 1.966 4.450 . 0 0 "[ . 1 . 2]" 1
982 1 34 ASP H 1 34 ASP HB2 . . 3.780 3.573 2.743 3.782 0.002 4 0 "[ . 1 . 2]" 1
983 1 34 ASP H 1 34 ASP QB . . 3.190 2.711 2.129 3.013 . 0 0 "[ . 1 . 2]" 1
984 1 34 ASP H 1 34 ASP HB3 . . 3.780 2.852 2.183 3.650 . 0 0 "[ . 1 . 2]" 1
985 1 34 ASP H 1 62 LYS QE . . 3.890 3.721 2.576 3.892 0.002 19 0 "[ . 1 . 2]" 1
986 1 34 ASP H 1 62 LYS HG2 . . 4.930 4.209 3.217 4.805 . 0 0 "[ . 1 . 2]" 1
987 1 34 ASP HA 1 35 ASP H . . 3.050 2.398 2.302 2.571 . 0 0 "[ . 1 . 2]" 1
988 1 34 ASP HA 1 36 ALA H . . 4.290 3.538 3.371 3.754 . 0 0 "[ . 1 . 2]" 1
989 1 34 ASP HA 1 61 GLY HA2 . . 5.500 5.245 4.785 5.496 . 0 0 "[ . 1 . 2]" 1
990 1 34 ASP HA 1 62 LYS H . . 5.120 4.849 4.555 5.033 . 0 0 "[ . 1 . 2]" 1
991 1 34 ASP HA 1 62 LYS HB3 . . 4.200 3.338 2.947 3.749 . 0 0 "[ . 1 . 2]" 1
992 1 34 ASP HA 1 62 LYS QE . . 5.030 3.363 2.607 4.065 . 0 0 "[ . 1 . 2]" 1
993 1 34 ASP HA 1 62 LYS HG2 . . 4.200 2.368 2.035 3.125 . 0 0 "[ . 1 . 2]" 1
994 1 34 ASP HA 1 62 LYS HG3 . . 4.820 3.793 3.260 4.656 . 0 0 "[ . 1 . 2]" 1
995 1 34 ASP QB 1 35 ASP H . . 3.430 2.581 2.179 3.240 . 0 0 "[ . 1 . 2]" 1
996 1 34 ASP QB 1 61 GLY HA2 . . 4.650 4.164 3.300 4.646 . 0 0 "[ . 1 . 2]" 1
997 1 34 ASP QB 1 61 GLY HA3 . . 5.340 5.028 4.407 5.342 0.002 2 0 "[ . 1 . 2]" 1
998 1 34 ASP HB2 1 35 ASP H . . 4.140 2.683 2.211 3.466 . 0 0 "[ . 1 . 2]" 1
999 1 34 ASP HB3 1 35 ASP H . . 4.140 3.747 2.577 4.023 . 0 0 "[ . 1 . 2]" 1
1000 1 35 ASP H 1 35 ASP HA . . 2.900 2.309 2.297 2.315 . 0 0 "[ . 1 . 2]" 1
1001 1 35 ASP H 1 35 ASP HB2 . . 4.150 3.163 2.786 3.974 . 0 0 "[ . 1 . 2]" 1
1002 1 35 ASP H 1 35 ASP HB3 . . 4.150 3.697 3.004 3.978 . 0 0 "[ . 1 . 2]" 1
1003 1 35 ASP H 1 36 ALA H . . 3.440 3.011 2.895 3.096 . 0 0 "[ . 1 . 2]" 1
1004 1 35 ASP H 1 36 ALA MB . . 5.290 4.507 4.437 4.592 . 0 0 "[ . 1 . 2]" 1
1005 1 35 ASP H 1 59 VAL QG . . 4.440 3.565 2.952 3.954 . 0 0 "[ . 1 . 2]" 1
1006 1 35 ASP H 1 61 GLY HA2 . . 5.220 4.019 3.543 4.600 . 0 0 "[ . 1 . 2]" 1
1007 1 35 ASP H 1 62 LYS HG2 . . 5.490 3.930 3.631 4.717 . 0 0 "[ . 1 . 2]" 1
1008 1 35 ASP HA 1 36 ALA H . . 3.150 2.772 2.663 2.888 . 0 0 "[ . 1 . 2]" 1
1009 1 35 ASP HA 1 59 VAL QG . . 3.930 2.248 1.852 2.806 . 0 0 "[ . 1 . 2]" 1
1010 1 35 ASP QB 1 36 ALA H . . 4.190 3.900 3.819 4.033 . 0 0 "[ . 1 . 2]" 1
1011 1 35 ASP HB2 1 36 ALA H . . 4.810 4.420 4.177 4.655 . 0 0 "[ . 1 . 2]" 1
1012 1 35 ASP HB3 1 36 ALA H . . 4.810 4.368 4.129 4.654 . 0 0 "[ . 1 . 2]" 1
1013 1 36 ALA H 1 36 ALA MB . . 2.910 2.171 2.058 2.280 . 0 0 "[ . 1 . 2]" 1
1014 1 36 ALA H 1 37 ASN H . . 4.870 4.501 4.182 4.597 . 0 0 "[ . 1 . 2]" 1
1015 1 36 ALA H 1 38 VAL QG . . 5.080 4.722 4.171 4.980 . 0 0 "[ . 1 . 2]" 1
1016 1 36 ALA H 1 59 VAL MG1 . . 5.030 3.945 3.064 5.031 0.001 3 0 "[ . 1 . 2]" 1
1017 1 36 ALA H 1 59 VAL QG . . 4.100 3.309 2.920 3.674 . 0 0 "[ . 1 . 2]" 1
1018 1 36 ALA H 1 59 VAL MG2 . . 5.030 4.234 2.943 5.030 0.000 13 0 "[ . 1 . 2]" 1
1019 1 36 ALA H 1 64 HIS HE1 . . 4.810 4.553 3.997 4.807 . 0 0 "[ . 1 . 2]" 1
1020 1 36 ALA HA 1 37 ASN H . . 2.970 2.480 2.168 2.637 . 0 0 "[ . 1 . 2]" 1
1021 1 36 ALA HA 1 37 ASN HA . . 4.820 4.450 4.391 4.486 . 0 0 "[ . 1 . 2]" 1
1022 1 36 ALA HA 1 37 ASN HB2 . . 4.850 4.456 4.323 4.769 . 0 0 "[ . 1 . 2]" 1
1023 1 36 ALA HA 1 37 ASN HB3 . . 4.850 4.553 4.463 4.672 . 0 0 "[ . 1 . 2]" 1
1024 1 36 ALA MB 1 37 ASN H . . 3.490 2.458 2.061 3.498 0.008 9 0 "[ . 1 . 2]" 1
1025 1 36 ALA MB 1 38 VAL QG . . 3.250 2.833 2.548 2.948 . 0 0 "[ . 1 . 2]" 1
1026 1 36 ALA MB 1 64 HIS HE1 . . 4.450 3.916 3.376 4.260 . 0 0 "[ . 1 . 2]" 1
1027 1 37 ASN H 1 37 ASN HB2 . . 3.500 3.084 2.412 3.288 . 0 0 "[ . 1 . 2]" 1
1028 1 37 ASN H 1 37 ASN HB3 . . 3.500 2.601 2.470 2.697 . 0 0 "[ . 1 . 2]" 1
1029 1 37 ASN H 1 38 VAL QG . . 4.600 3.920 3.700 4.413 . 0 0 "[ . 1 . 2]" 1
1030 1 37 ASN HA 1 38 VAL H . . 2.650 2.243 2.194 2.276 . 0 0 "[ . 1 . 2]" 1
1031 1 37 ASN HA 1 38 VAL MG1 . . 4.690 3.854 3.736 4.017 . 0 0 "[ . 1 . 2]" 1
1032 1 37 ASN HA 1 38 VAL QG . . 3.910 3.499 3.449 3.551 . 0 0 "[ . 1 . 2]" 1
1033 1 37 ASN HA 1 38 VAL MG2 . . 4.690 4.021 3.904 4.175 . 0 0 "[ . 1 . 2]" 1
1034 1 37 ASN HB2 1 38 VAL H . . 4.520 4.522 4.454 4.592 0.072 8 0 "[ . 1 . 2]" 1
1035 1 37 ASN HB3 1 38 VAL H . . 4.520 4.501 4.449 4.533 0.013 1 0 "[ . 1 . 2]" 1
1036 1 38 VAL H 1 38 VAL HB . . 3.840 3.649 3.633 3.670 . 0 0 "[ . 1 . 2]" 1
1037 1 38 VAL H 1 38 VAL MG1 . . 3.980 2.261 2.142 2.402 . 0 0 "[ . 1 . 2]" 1
1038 1 38 VAL H 1 38 VAL QG . . 3.110 1.998 1.962 2.037 . 0 0 "[ . 1 . 2]" 1
1039 1 38 VAL H 1 38 VAL MG2 . . 3.980 2.238 2.109 2.382 . 0 0 "[ . 1 . 2]" 1
1040 1 38 VAL H 1 39 LYS H . . 4.840 4.602 4.583 4.612 . 0 0 "[ . 1 . 2]" 1
1041 1 38 VAL H 1 64 HIS HE1 . . 4.560 2.159 1.940 2.699 . 0 0 "[ . 1 . 2]" 1
1042 1 38 VAL HA 1 38 VAL MG1 . . 3.250 2.438 2.367 2.494 . 0 0 "[ . 1 . 2]" 1
1043 1 38 VAL HA 1 38 VAL QG . . 2.830 2.365 2.307 2.407 . 0 0 "[ . 1 . 2]" 1
1044 1 38 VAL HA 1 38 VAL MG2 . . 3.250 3.185 3.169 3.193 . 0 0 "[ . 1 . 2]" 1
1045 1 38 VAL HA 1 39 LYS H . . 2.760 2.343 2.300 2.394 . 0 0 "[ . 1 . 2]" 1
1046 1 38 VAL HA 1 81 VAL MG2 . . 5.220 4.874 4.685 5.039 . 0 0 "[ . 1 . 2]" 1
1047 1 38 VAL HA 1 82 MET H . . 4.600 4.459 4.231 4.596 . 0 0 "[ . 1 . 2]" 1
1048 1 38 VAL HA 1 83 THR MG . . 3.300 2.562 2.236 2.835 . 0 0 "[ . 1 . 2]" 1
1049 1 38 VAL HB 1 39 LYS H . . 4.020 2.587 2.456 2.700 . 0 0 "[ . 1 . 2]" 1
1050 1 38 VAL HB 1 40 TRP HD1 . . 5.500 5.127 4.932 5.301 . 0 0 "[ . 1 . 2]" 1
1051 1 38 VAL HB 1 40 TRP HE1 . . 4.790 4.605 4.421 4.789 . 0 0 "[ . 1 . 2]" 1
1052 1 38 VAL HB 1 64 HIS HE1 . . 5.430 5.300 5.067 5.427 . 0 0 "[ . 1 . 2]" 1
1053 1 38 VAL QG 1 39 LYS H . . 3.200 3.093 2.945 3.180 . 0 0 "[ . 1 . 2]" 1
1054 1 38 VAL QG 1 39 LYS HA . . 4.360 3.639 3.505 3.720 . 0 0 "[ . 1 . 2]" 1
1055 1 38 VAL QG 1 40 TRP H . . 4.800 3.665 3.580 3.751 . 0 0 "[ . 1 . 2]" 1
1056 1 38 VAL QG 1 40 TRP HA . . 4.280 4.142 4.011 4.280 0.000 8 0 "[ . 1 . 2]" 1
1057 1 38 VAL QG 1 40 TRP HD1 . . 4.090 2.787 2.655 2.929 . 0 0 "[ . 1 . 2]" 1
1058 1 38 VAL QG 1 40 TRP HE1 . . 3.450 2.067 1.964 2.194 . 0 0 "[ . 1 . 2]" 1
1059 1 38 VAL QG 1 40 TRP HH2 . . 5.030 4.578 4.322 4.772 . 0 0 "[ . 1 . 2]" 1
1060 1 38 VAL QG 1 40 TRP HZ2 . . 4.220 3.039 2.798 3.159 . 0 0 "[ . 1 . 2]" 1
1061 1 38 VAL QG 1 57 ILE MG . . 3.500 2.889 2.715 3.244 . 0 0 "[ . 1 . 2]" 1
1062 1 38 VAL QG 1 64 HIS HB3 . . 3.860 2.974 2.764 3.193 . 0 0 "[ . 1 . 2]" 1
1063 1 38 VAL QG 1 64 HIS HD2 . . 4.120 3.100 2.870 3.504 . 0 0 "[ . 1 . 2]" 1
1064 1 38 VAL QG 1 64 HIS HE1 . . 3.620 2.716 2.582 2.818 . 0 0 "[ . 1 . 2]" 1
1065 1 38 VAL QG 1 81 VAL HA . . 4.690 4.401 4.254 4.647 . 0 0 "[ . 1 . 2]" 1
1066 1 38 VAL QG 1 81 VAL HB . . 3.710 2.963 2.795 3.223 . 0 0 "[ . 1 . 2]" 1
1067 1 38 VAL QG 1 82 MET H . . 4.020 3.912 3.821 4.018 . 0 0 "[ . 1 . 2]" 1
1068 1 38 VAL QG 1 83 THR HB . . 4.100 3.775 3.568 3.968 . 0 0 "[ . 1 . 2]" 1
1069 1 38 VAL QG 1 83 THR MG . . 2.850 1.939 1.792 2.188 . 0 0 "[ . 1 . 2]" 1
1070 1 38 VAL QG 1 84 THR H . . 5.300 4.871 4.604 5.048 . 0 0 "[ . 1 . 2]" 1
1071 1 38 VAL MG1 1 39 LYS H . . 4.070 3.919 3.837 3.976 . 0 0 "[ . 1 . 2]" 1
1072 1 38 VAL MG1 1 40 TRP HE1 . . 4.400 4.184 4.051 4.354 . 0 0 "[ . 1 . 2]" 1
1073 1 38 VAL MG1 1 40 TRP HZ2 . . 4.910 4.588 4.289 4.771 . 0 0 "[ . 1 . 2]" 1
1074 1 38 VAL MG1 1 64 HIS HB2 . . 4.450 3.501 3.228 3.892 . 0 0 "[ . 1 . 2]" 1
1075 1 38 VAL MG1 1 64 HIS HB3 . . 4.440 4.054 3.722 4.374 . 0 0 "[ . 1 . 2]" 1
1076 1 38 VAL MG1 1 64 HIS HD2 . . 4.980 3.194 2.924 3.676 . 0 0 "[ . 1 . 2]" 1
1077 1 38 VAL MG1 1 64 HIS HE1 . . 5.000 2.991 2.747 3.174 . 0 0 "[ . 1 . 2]" 1
1078 1 38 VAL MG1 1 83 THR MG . . 3.780 1.946 1.795 2.203 . 0 0 "[ . 1 . 2]" 1
1079 1 38 VAL MG2 1 39 LYS H . . 4.070 3.242 3.036 3.359 . 0 0 "[ . 1 . 2]" 1
1080 1 38 VAL MG2 1 40 TRP HE1 . . 4.400 2.072 1.968 2.200 . 0 0 "[ . 1 . 2]" 1
1081 1 38 VAL MG2 1 40 TRP HZ2 . . 4.910 3.085 2.835 3.205 . 0 0 "[ . 1 . 2]" 1
1082 1 38 VAL MG2 1 64 HIS HB2 . . 4.450 3.010 2.840 3.287 . 0 0 "[ . 1 . 2]" 1
1083 1 38 VAL MG2 1 64 HIS HB3 . . 4.440 3.061 2.849 3.282 . 0 0 "[ . 1 . 2]" 1
1084 1 38 VAL MG2 1 64 HIS HD2 . . 4.980 4.215 4.046 4.413 . 0 0 "[ . 1 . 2]" 1
1085 1 38 VAL MG2 1 64 HIS HE1 . . 5.000 3.135 2.882 3.345 . 0 0 "[ . 1 . 2]" 1
1086 1 38 VAL MG2 1 83 THR MG . . 3.780 3.695 3.521 3.781 0.001 10 0 "[ . 1 . 2]" 1
1087 1 39 LYS H 1 39 LYS HB2 . . 3.460 2.437 2.360 2.524 . 0 0 "[ . 1 . 2]" 1
1088 1 39 LYS H 1 39 LYS HB3 . . 3.790 3.633 3.557 3.710 . 0 0 "[ . 1 . 2]" 1
1089 1 39 LYS H 1 39 LYS HG2 . . 4.670 4.027 3.488 4.547 . 0 0 "[ . 1 . 2]" 1
1090 1 39 LYS H 1 39 LYS QG . . 3.960 3.230 2.918 3.835 . 0 0 "[ . 1 . 2]" 1
1091 1 39 LYS H 1 39 LYS HG3 . . 4.670 3.528 2.983 4.203 . 0 0 "[ . 1 . 2]" 1
1092 1 39 LYS H 1 40 TRP H . . 4.460 4.227 4.179 4.268 . 0 0 "[ . 1 . 2]" 1
1093 1 39 LYS H 1 41 PHE QE . . 4.830 3.865 3.733 4.079 . 0 0 "[ . 1 . 2]" 1
1094 1 39 LYS H 1 81 VAL HA . . 4.600 4.424 4.208 4.602 0.002 2 0 "[ . 1 . 2]" 1
1095 1 39 LYS H 1 81 VAL HB . . 5.060 3.704 3.574 3.909 . 0 0 "[ . 1 . 2]" 1
1096 1 39 LYS H 1 81 VAL MG2 . . 4.600 4.203 4.079 4.322 . 0 0 "[ . 1 . 2]" 1
1097 1 39 LYS H 1 82 MET H . . 3.540 2.450 2.244 2.612 . 0 0 "[ . 1 . 2]" 1
1098 1 39 LYS H 1 82 MET HB2 . . 4.950 4.658 4.439 4.821 . 0 0 "[ . 1 . 2]" 1
1099 1 39 LYS H 1 82 MET QB . . 4.210 3.603 3.439 3.757 . 0 0 "[ . 1 . 2]" 1
1100 1 39 LYS H 1 82 MET HB3 . . 4.950 3.751 3.573 3.919 . 0 0 "[ . 1 . 2]" 1
1101 1 39 LYS H 1 82 MET QG . . 5.500 5.207 5.077 5.444 . 0 0 "[ . 1 . 2]" 1
1102 1 39 LYS H 1 83 THR MG . . 4.720 3.397 3.158 3.654 . 0 0 "[ . 1 . 2]" 1
1103 1 39 LYS HA 1 39 LYS HD2 . . 5.500 4.206 3.324 4.819 . 0 0 "[ . 1 . 2]" 1
1104 1 39 LYS HA 1 39 LYS QD . . 4.830 3.578 2.565 4.150 . 0 0 "[ . 1 . 2]" 1
1105 1 39 LYS HA 1 39 LYS HD3 . . 5.500 3.921 2.666 4.709 . 0 0 "[ . 1 . 2]" 1
1106 1 39 LYS HA 1 39 LYS QE . . 5.340 4.248 1.940 4.918 . 0 0 "[ . 1 . 2]" 1
1107 1 39 LYS HA 1 39 LYS HG2 . . 3.780 2.552 2.231 3.561 . 0 0 "[ . 1 . 2]" 1
1108 1 39 LYS HA 1 39 LYS QG . . 3.140 2.322 2.189 2.408 . 0 0 "[ . 1 . 2]" 1
1109 1 39 LYS HA 1 39 LYS HG3 . . 3.780 3.050 2.245 3.627 . 0 0 "[ . 1 . 2]" 1
1110 1 39 LYS HA 1 40 TRP H . . 2.680 2.145 2.141 2.149 . 0 0 "[ . 1 . 2]" 1
1111 1 39 LYS HA 1 40 TRP HA . . 4.810 4.403 4.394 4.408 . 0 0 "[ . 1 . 2]" 1
1112 1 39 LYS HA 1 40 TRP HB2 . . 4.770 4.616 4.579 4.667 . 0 0 "[ . 1 . 2]" 1
1113 1 39 LYS HA 1 40 TRP HD1 . . 4.070 3.513 3.308 3.692 . 0 0 "[ . 1 . 2]" 1
1114 1 39 LYS HA 1 57 ILE MD . . 4.500 3.878 3.549 4.173 . 0 0 "[ . 1 . 2]" 1
1115 1 39 LYS HB2 1 40 TRP H . . 4.540 4.470 4.381 4.509 . 0 0 "[ . 1 . 2]" 1
1116 1 39 LYS HB2 1 41 PHE QE . . 3.710 2.202 1.996 2.512 . 0 0 "[ . 1 . 2]" 1
1117 1 39 LYS HB2 1 41 PHE HZ . . 3.790 3.176 2.955 3.439 . 0 0 "[ . 1 . 2]" 1
1118 1 39 LYS HB2 1 82 MET HB2 . . 4.000 3.570 3.291 3.869 . 0 0 "[ . 1 . 2]" 1
1119 1 39 LYS HB2 1 82 MET QB . . 3.510 2.275 2.036 2.502 . 0 0 "[ . 1 . 2]" 1
1120 1 39 LYS HB2 1 82 MET HB3 . . 4.000 2.302 2.055 2.534 . 0 0 "[ . 1 . 2]" 1
1121 1 39 LYS HB2 1 82 MET QG . . 4.510 4.395 4.212 4.513 0.003 5 0 "[ . 1 . 2]" 1
1122 1 39 LYS HB3 1 39 LYS QE . . 4.620 3.415 2.358 4.080 . 0 0 "[ . 1 . 2]" 1
1123 1 39 LYS HB3 1 40 TRP H . . 3.710 3.644 3.542 3.684 . 0 0 "[ . 1 . 2]" 1
1124 1 39 LYS HB3 1 41 PHE QE . . 3.990 2.170 2.075 2.382 . 0 0 "[ . 1 . 2]" 1
1125 1 39 LYS HB3 1 41 PHE HZ . . 4.330 2.458 2.254 2.573 . 0 0 "[ . 1 . 2]" 1
1126 1 39 LYS HB3 1 82 MET H . . 4.900 4.039 3.825 4.229 . 0 0 "[ . 1 . 2]" 1
1127 1 39 LYS HB3 1 82 MET HB2 . . 4.560 4.207 4.023 4.423 . 0 0 "[ . 1 . 2]" 1
1128 1 39 LYS HB3 1 82 MET HB3 . . 4.560 3.424 3.202 3.541 . 0 0 "[ . 1 . 2]" 1
1129 1 39 LYS HB3 1 82 MET QG . . 5.500 5.398 5.100 5.499 . 0 0 "[ . 1 . 2]" 1
1130 1 39 LYS QE 1 39 LYS QG . . 3.180 2.154 2.059 2.259 . 0 0 "[ . 1 . 2]" 1
1131 1 39 LYS HE2 1 41 PHE QE . . 5.500 4.734 3.334 5.506 0.006 14 0 "[ . 1 . 2]" 1
1132 1 39 LYS HE2 1 41 PHE HZ . . 5.500 4.190 2.259 4.975 . 0 0 "[ . 1 . 2]" 1
1133 1 39 LYS HE3 1 41 PHE QE . . 5.500 4.831 3.091 5.511 0.011 10 0 "[ . 1 . 2]" 1
1134 1 39 LYS HE3 1 41 PHE HZ . . 5.500 4.195 2.166 5.503 0.003 2 0 "[ . 1 . 2]" 1
1135 1 39 LYS QG 1 40 TRP H . . 4.280 4.130 3.974 4.297 0.017 8 0 "[ . 1 . 2]" 1
1136 1 39 LYS HG2 1 41 PHE QE . . 5.120 4.391 3.850 4.705 . 0 0 "[ . 1 . 2]" 1
1137 1 39 LYS HG2 1 41 PHE HZ . . 5.410 4.200 2.930 4.847 . 0 0 "[ . 1 . 2]" 1
1138 1 39 LYS HG3 1 41 PHE QE . . 5.120 4.295 3.960 4.565 . 0 0 "[ . 1 . 2]" 1
1139 1 39 LYS HG3 1 41 PHE HZ . . 5.410 4.254 3.393 4.810 . 0 0 "[ . 1 . 2]" 1
1140 1 40 TRP H 1 40 TRP HB2 . . 3.290 2.486 2.451 2.533 . 0 0 "[ . 1 . 2]" 1
1141 1 40 TRP H 1 40 TRP HB3 . . 3.720 3.636 3.625 3.655 . 0 0 "[ . 1 . 2]" 1
1142 1 40 TRP H 1 40 TRP HD1 . . 3.760 2.311 2.196 2.446 . 0 0 "[ . 1 . 2]" 1
1143 1 40 TRP H 1 41 PHE H . . 4.660 4.524 4.448 4.561 . 0 0 "[ . 1 . 2]" 1
1144 1 40 TRP H 1 47 ILE HB . . 4.620 4.295 4.138 4.495 . 0 0 "[ . 1 . 2]" 1
1145 1 40 TRP H 1 57 ILE MD . . 4.250 2.866 2.517 3.210 . 0 0 "[ . 1 . 2]" 1
1146 1 40 TRP H 1 66 LEU QD . . 5.440 4.400 4.182 4.601 . 0 0 "[ . 1 . 2]" 1
1147 1 40 TRP HA 1 40 TRP HE3 . . 3.970 3.476 3.324 3.595 . 0 0 "[ . 1 . 2]" 1
1148 1 40 TRP HA 1 41 PHE H . . 2.860 2.169 2.141 2.204 . 0 0 "[ . 1 . 2]" 1
1149 1 40 TRP HA 1 41 PHE QD . . 3.970 3.161 2.967 3.331 . 0 0 "[ . 1 . 2]" 1
1150 1 40 TRP HA 1 41 PHE QE . . 4.690 4.435 4.223 4.616 . 0 0 "[ . 1 . 2]" 1
1151 1 40 TRP HA 1 47 ILE MD . . 4.610 4.332 4.044 4.576 . 0 0 "[ . 1 . 2]" 1
1152 1 40 TRP HA 1 81 VAL HA . . 3.190 2.223 2.018 2.348 . 0 0 "[ . 1 . 2]" 1
1153 1 40 TRP HA 1 81 VAL HB . . 4.730 3.419 3.296 3.521 . 0 0 "[ . 1 . 2]" 1
1154 1 40 TRP HA 1 81 VAL MG1 . . 3.930 2.960 2.805 3.062 . 0 0 "[ . 1 . 2]" 1
1155 1 40 TRP HA 1 81 VAL MG2 . . 5.060 4.663 4.551 4.743 . 0 0 "[ . 1 . 2]" 1
1156 1 40 TRP HA 1 82 MET H . . 4.050 3.776 3.668 3.920 . 0 0 "[ . 1 . 2]" 1
1157 1 40 TRP HB2 1 41 PHE H . . 4.320 4.136 3.994 4.278 . 0 0 "[ . 1 . 2]" 1
1158 1 40 TRP HB2 1 47 ILE H . . 4.810 4.405 4.166 4.801 . 0 0 "[ . 1 . 2]" 1
1159 1 40 TRP HB2 1 47 ILE HB . . 3.760 2.934 2.777 3.180 . 0 0 "[ . 1 . 2]" 1
1160 1 40 TRP HB2 1 47 ILE MD . . 3.540 2.774 2.544 3.071 . 0 0 "[ . 1 . 2]" 1
1161 1 40 TRP HB2 1 47 ILE MG . . 3.960 3.773 3.610 3.944 . 0 0 "[ . 1 . 2]" 1
1162 1 40 TRP HB2 1 57 ILE MD . . 3.870 2.615 2.004 3.145 . 0 0 "[ . 1 . 2]" 1
1163 1 40 TRP HB2 1 66 LEU MD1 . . 4.880 2.904 2.430 3.218 . 0 0 "[ . 1 . 2]" 1
1164 1 40 TRP HB2 1 66 LEU QD . . 3.970 2.694 2.424 2.916 . 0 0 "[ . 1 . 2]" 1
1165 1 40 TRP HB2 1 66 LEU MD2 . . 4.880 3.415 2.913 4.885 0.005 8 0 "[ . 1 . 2]" 1
1166 1 40 TRP HB3 1 40 TRP HE3 . . 3.970 2.476 2.446 2.518 . 0 0 "[ . 1 . 2]" 1
1167 1 40 TRP HB3 1 41 PHE H . . 3.750 3.194 3.014 3.455 . 0 0 "[ . 1 . 2]" 1
1168 1 40 TRP HB3 1 47 ILE HB . . 4.090 3.976 3.849 4.095 0.005 14 0 "[ . 1 . 2]" 1
1169 1 40 TRP HB3 1 47 ILE MD . . 3.230 2.532 2.283 2.798 . 0 0 "[ . 1 . 2]" 1
1170 1 40 TRP HB3 1 47 ILE MG . . 4.770 4.534 4.346 4.742 . 0 0 "[ . 1 . 2]" 1
1171 1 40 TRP HB3 1 57 ILE MD . . 4.540 4.074 3.543 4.497 . 0 0 "[ . 1 . 2]" 1
1172 1 40 TRP HB3 1 66 LEU MD1 . . 4.380 3.029 2.114 3.471 . 0 0 "[ . 1 . 2]" 1
1173 1 40 TRP HB3 1 66 LEU QD . . 3.690 2.208 1.955 2.582 . 0 0 "[ . 1 . 2]" 1
1174 1 40 TRP HB3 1 66 LEU MD2 . . 4.380 2.488 1.983 4.378 . 0 0 "[ . 1 . 2]" 1
1175 1 40 TRP HB3 1 81 VAL HA . . 5.100 4.496 4.224 4.656 . 0 0 "[ . 1 . 2]" 1
1176 1 40 TRP HB3 1 81 VAL MG1 . . 4.600 3.799 3.621 3.986 . 0 0 "[ . 1 . 2]" 1
1177 1 40 TRP HD1 1 47 ILE HB . . 5.500 5.168 4.894 5.499 . 0 0 "[ . 1 . 2]" 1
1178 1 40 TRP HD1 1 57 ILE MD . . 3.410 2.001 1.865 2.195 . 0 0 "[ . 1 . 2]" 1
1179 1 40 TRP HD1 1 57 ILE HG12 . . 4.890 2.627 2.376 2.962 . 0 0 "[ . 1 . 2]" 1
1180 1 40 TRP HD1 1 57 ILE HG13 . . 5.500 4.087 3.817 4.334 . 0 0 "[ . 1 . 2]" 1
1181 1 40 TRP HD1 1 57 ILE MG . . 3.480 2.445 2.142 3.223 . 0 0 "[ . 1 . 2]" 1
1182 1 40 TRP HD1 1 66 LEU QD . . 4.610 3.493 3.305 3.756 . 0 0 "[ . 1 . 2]" 1
1183 1 40 TRP HE1 1 57 ILE MD . . 4.410 3.795 3.486 4.028 . 0 0 "[ . 1 . 2]" 1
1184 1 40 TRP HE1 1 57 ILE HG12 . . 5.250 3.380 3.213 3.576 . 0 0 "[ . 1 . 2]" 1
1185 1 40 TRP HE1 1 57 ILE MG . . 3.440 2.061 1.847 2.589 . 0 0 "[ . 1 . 2]" 1
1186 1 40 TRP HE1 1 58 ARG H . . 5.290 5.098 4.749 5.277 . 0 0 "[ . 1 . 2]" 1
1187 1 40 TRP HE1 1 64 HIS HB2 . . 4.280 3.998 3.794 4.241 . 0 0 "[ . 1 . 2]" 1
1188 1 40 TRP HE1 1 64 HIS HB3 . . 3.970 3.004 2.807 3.238 . 0 0 "[ . 1 . 2]" 1
1189 1 40 TRP HE1 1 65 ILE H . . 5.120 4.736 4.409 4.950 . 0 0 "[ . 1 . 2]" 1
1190 1 40 TRP HE1 1 66 LEU QD . . 5.280 3.948 3.738 4.130 . 0 0 "[ . 1 . 2]" 1
1191 1 40 TRP HE3 1 41 PHE H . . 4.570 4.166 3.975 4.429 . 0 0 "[ . 1 . 2]" 1
1192 1 40 TRP HE3 1 47 ILE MD . . 4.540 4.196 3.985 4.442 . 0 0 "[ . 1 . 2]" 1
1193 1 40 TRP HE3 1 66 LEU HB2 . . 5.490 3.616 3.433 3.884 . 0 0 "[ . 1 . 2]" 1
1194 1 40 TRP HE3 1 66 LEU HB3 . . 5.500 3.819 3.572 4.078 . 0 0 "[ . 1 . 2]" 1
1195 1 40 TRP HE3 1 66 LEU MD1 . . 4.290 3.662 2.042 4.092 . 0 0 "[ . 1 . 2]" 1
1196 1 40 TRP HE3 1 66 LEU QD . . 3.520 2.083 1.871 2.271 . 0 0 "[ . 1 . 2]" 1
1197 1 40 TRP HE3 1 66 LEU MD2 . . 4.290 2.296 1.876 4.173 . 0 0 "[ . 1 . 2]" 1
1198 1 40 TRP HE3 1 79 TYR HB3 . . 4.820 3.249 3.047 3.581 . 0 0 "[ . 1 . 2]" 1
1199 1 40 TRP HE3 1 79 TYR QD . . 5.030 3.901 3.500 4.277 . 0 0 "[ . 1 . 2]" 1
1200 1 40 TRP HE3 1 80 SER H . . 5.500 5.170 4.944 5.361 . 0 0 "[ . 1 . 2]" 1
1201 1 40 TRP HE3 1 81 VAL HA . . 5.330 4.531 4.359 4.634 . 0 0 "[ . 1 . 2]" 1
1202 1 40 TRP HE3 1 81 VAL HB . . 5.010 4.789 4.701 4.849 . 0 0 "[ . 1 . 2]" 1
1203 1 40 TRP HE3 1 81 VAL MG1 . . 4.060 2.570 2.429 2.697 . 0 0 "[ . 1 . 2]" 1
1204 1 40 TRP HE3 1 81 VAL MG2 . . 5.500 5.252 5.153 5.372 . 0 0 "[ . 1 . 2]" 1
1205 1 40 TRP HH2 1 64 HIS HB2 . . 5.210 4.102 3.893 4.344 . 0 0 "[ . 1 . 2]" 1
1206 1 40 TRP HH2 1 64 HIS HB3 . . 5.090 4.486 4.214 4.717 . 0 0 "[ . 1 . 2]" 1
1207 1 40 TRP HH2 1 65 ILE HA . . 4.420 3.954 3.687 4.156 . 0 0 "[ . 1 . 2]" 1
1208 1 40 TRP HH2 1 66 LEU H . . 4.080 3.345 3.181 3.525 . 0 0 "[ . 1 . 2]" 1
1209 1 40 TRP HH2 1 66 LEU HA . . 5.500 5.474 5.352 5.509 0.009 13 0 "[ . 1 . 2]" 1
1210 1 40 TRP HH2 1 66 LEU HB2 . . 5.050 3.719 3.580 3.900 . 0 0 "[ . 1 . 2]" 1
1211 1 40 TRP HH2 1 66 LEU HB3 . . 4.580 3.722 3.401 4.082 . 0 0 "[ . 1 . 2]" 1
1212 1 40 TRP HH2 1 66 LEU QD . . 4.780 4.203 4.052 4.405 . 0 0 "[ . 1 . 2]" 1
1213 1 40 TRP HH2 1 81 VAL MG1 . . 4.320 3.388 3.280 3.461 . 0 0 "[ . 1 . 2]" 1
1214 1 40 TRP HH2 1 81 VAL MG2 . . 5.500 5.150 5.048 5.220 . 0 0 "[ . 1 . 2]" 1
1215 1 40 TRP HZ2 1 57 ILE MG . . 4.770 3.904 3.555 4.184 . 0 0 "[ . 1 . 2]" 1
1216 1 40 TRP HZ2 1 64 HIS HB2 . . 3.910 2.406 2.137 2.633 . 0 0 "[ . 1 . 2]" 1
1217 1 40 TRP HZ2 1 64 HIS HB3 . . 3.610 2.221 1.998 2.466 . 0 0 "[ . 1 . 2]" 1
1218 1 40 TRP HZ2 1 65 ILE H . . 4.530 3.723 3.472 3.875 . 0 0 "[ . 1 . 2]" 1
1219 1 40 TRP HZ2 1 65 ILE HA . . 4.080 3.962 3.750 4.083 0.003 19 0 "[ . 1 . 2]" 1
1220 1 40 TRP HZ2 1 66 LEU H . . 4.220 3.763 3.554 4.007 . 0 0 "[ . 1 . 2]" 1
1221 1 40 TRP HZ2 1 66 LEU HB2 . . 5.490 3.514 3.402 3.677 . 0 0 "[ . 1 . 2]" 1
1222 1 40 TRP HZ2 1 66 LEU HB3 . . 5.400 4.519 4.222 4.941 . 0 0 "[ . 1 . 2]" 1
1223 1 40 TRP HZ2 1 81 VAL MG1 . . 4.630 3.774 3.577 3.922 . 0 0 "[ . 1 . 2]" 1
1224 1 40 TRP HZ2 1 81 VAL MG2 . . 5.500 5.342 5.219 5.500 . 0 0 "[ . 1 . 2]" 1
1225 1 40 TRP HZ3 1 66 LEU H . . 5.200 4.466 4.196 4.701 . 0 0 "[ . 1 . 2]" 1
1226 1 40 TRP HZ3 1 66 LEU HB2 . . 5.180 3.767 3.592 3.947 . 0 0 "[ . 1 . 2]" 1
1227 1 40 TRP HZ3 1 66 LEU HB3 . . 4.860 3.316 3.036 3.509 . 0 0 "[ . 1 . 2]" 1
1228 1 40 TRP HZ3 1 66 LEU QD . . 3.730 3.009 2.696 3.438 . 0 0 "[ . 1 . 2]" 1
1229 1 40 TRP HZ3 1 79 TYR HB2 . . 5.160 4.776 4.509 5.110 . 0 0 "[ . 1 . 2]" 1
1230 1 40 TRP HZ3 1 79 TYR HB3 . . 4.750 4.079 3.841 4.366 . 0 0 "[ . 1 . 2]" 1
1231 1 40 TRP HZ3 1 81 VAL HB . . 5.500 5.489 5.413 5.507 0.007 11 0 "[ . 1 . 2]" 1
1232 1 40 TRP HZ3 1 81 VAL MG1 . . 4.200 2.883 2.809 2.946 . 0 0 "[ . 1 . 2]" 1
1233 1 41 PHE H 1 41 PHE HB2 . . 3.560 2.696 2.599 2.778 . 0 0 "[ . 1 . 2]" 1
1234 1 41 PHE H 1 41 PHE HB3 . . 4.070 3.805 3.740 3.854 . 0 0 "[ . 1 . 2]" 1
1235 1 41 PHE H 1 41 PHE QD . . 3.440 2.551 2.359 2.646 . 0 0 "[ . 1 . 2]" 1
1236 1 41 PHE H 1 41 PHE QE . . 4.720 4.665 4.505 4.722 0.002 5 0 "[ . 1 . 2]" 1
1237 1 41 PHE H 1 42 LYS H . . 4.730 4.390 4.301 4.467 . 0 0 "[ . 1 . 2]" 1
1238 1 41 PHE H 1 47 ILE H . . 5.050 4.991 4.831 5.054 0.004 14 0 "[ . 1 . 2]" 1
1239 1 41 PHE H 1 47 ILE MD . . 4.420 3.992 3.708 4.315 . 0 0 "[ . 1 . 2]" 1
1240 1 41 PHE H 1 47 ILE HG13 . . 5.060 4.567 4.224 4.739 . 0 0 "[ . 1 . 2]" 1
1241 1 41 PHE H 1 79 TYR HA . . 5.220 4.538 4.419 4.696 . 0 0 "[ . 1 . 2]" 1
1242 1 41 PHE H 1 80 SER H . . 3.430 3.314 3.195 3.417 . 0 0 "[ . 1 . 2]" 1
1243 1 41 PHE H 1 80 SER HA . . 5.500 4.738 4.662 4.828 . 0 0 "[ . 1 . 2]" 1
1244 1 41 PHE H 1 80 SER QB . . 4.530 4.193 4.083 4.346 . 0 0 "[ . 1 . 2]" 1
1245 1 41 PHE H 1 81 VAL HA . . 3.970 2.974 2.879 3.014 . 0 0 "[ . 1 . 2]" 1
1246 1 41 PHE H 1 81 VAL MG1 . . 5.040 3.815 3.670 4.019 . 0 0 "[ . 1 . 2]" 1
1247 1 41 PHE H 1 81 VAL MG2 . . 5.500 5.489 5.425 5.507 0.007 11 0 "[ . 1 . 2]" 1
1248 1 41 PHE H 1 82 MET H . . 5.190 4.929 4.741 5.124 . 0 0 "[ . 1 . 2]" 1
1249 1 41 PHE HA 1 41 PHE QD . . 4.080 3.110 3.049 3.151 . 0 0 "[ . 1 . 2]" 1
1250 1 41 PHE HA 1 41 PHE QE . . 5.260 4.742 4.711 4.764 . 0 0 "[ . 1 . 2]" 1
1251 1 41 PHE HA 1 42 LYS H . . 2.920 2.190 2.157 2.231 . 0 0 "[ . 1 . 2]" 1
1252 1 41 PHE HA 1 42 LYS HA . . 5.020 4.374 4.360 4.382 . 0 0 "[ . 1 . 2]" 1
1253 1 41 PHE HA 1 45 GLU H . . 4.980 4.937 4.800 4.989 0.009 19 0 "[ . 1 . 2]" 1
1254 1 41 PHE HA 1 46 GLU HA . . 3.220 2.617 2.457 2.876 . 0 0 "[ . 1 . 2]" 1
1255 1 41 PHE HA 1 46 GLU QB . . 5.030 4.606 4.470 4.857 . 0 0 "[ . 1 . 2]" 1
1256 1 41 PHE HA 1 46 GLU HG3 . . 5.340 4.610 4.345 4.961 . 0 0 "[ . 1 . 2]" 1
1257 1 41 PHE HA 1 47 ILE H . . 3.550 2.780 2.572 2.958 . 0 0 "[ . 1 . 2]" 1
1258 1 41 PHE HA 1 47 ILE HB . . 5.200 4.085 3.794 4.298 . 0 0 "[ . 1 . 2]" 1
1259 1 41 PHE HA 1 47 ILE MD . . 4.230 3.578 3.405 3.783 . 0 0 "[ . 1 . 2]" 1
1260 1 41 PHE HA 1 47 ILE HG12 . . 4.460 4.287 4.039 4.456 . 0 0 "[ . 1 . 2]" 1
1261 1 41 PHE HA 1 47 ILE HG13 . . 3.600 2.597 2.504 2.749 . 0 0 "[ . 1 . 2]" 1
1262 1 41 PHE HB2 1 42 LYS H . . 4.140 4.039 3.944 4.147 0.007 14 0 "[ . 1 . 2]" 1
1263 1 41 PHE HB2 1 44 GLY H . . 4.120 3.512 3.385 3.703 . 0 0 "[ . 1 . 2]" 1
1264 1 41 PHE HB2 1 44 GLY HA2 . . 4.560 3.913 3.780 3.986 . 0 0 "[ . 1 . 2]" 1
1265 1 41 PHE HB2 1 44 GLY HA3 . . 5.500 5.445 5.301 5.499 . 0 0 "[ . 1 . 2]" 1
1266 1 41 PHE HB2 1 45 GLU H . . 5.210 5.117 5.009 5.211 0.001 11 0 "[ . 1 . 2]" 1
1267 1 41 PHE HB2 1 80 SER H . . 3.880 3.463 3.295 3.663 . 0 0 "[ . 1 . 2]" 1
1268 1 41 PHE HB2 1 80 SER QB . . 3.630 3.158 3.053 3.301 . 0 0 "[ . 1 . 2]" 1
1269 1 41 PHE HB3 1 42 LYS H . . 3.650 3.071 2.906 3.238 . 0 0 "[ . 1 . 2]" 1
1270 1 41 PHE HB3 1 44 GLY H . . 3.820 3.042 2.869 3.252 . 0 0 "[ . 1 . 2]" 1
1271 1 41 PHE HB3 1 44 GLY HA2 . . 4.070 3.314 3.175 3.385 . 0 0 "[ . 1 . 2]" 1
1272 1 41 PHE HB3 1 44 GLY HA3 . . 4.890 4.530 4.452 4.602 . 0 0 "[ . 1 . 2]" 1
1273 1 41 PHE HB3 1 45 GLU H . . 4.420 3.708 3.587 3.882 . 0 0 "[ . 1 . 2]" 1
1274 1 41 PHE HB3 1 46 GLU HA . . 4.580 3.496 3.339 3.623 . 0 0 "[ . 1 . 2]" 1
1275 1 41 PHE HB3 1 47 ILE H . . 5.500 4.819 4.508 5.068 . 0 0 "[ . 1 . 2]" 1
1276 1 41 PHE HB3 1 80 SER H . . 5.070 4.678 4.506 4.859 . 0 0 "[ . 1 . 2]" 1
1277 1 41 PHE HB3 1 80 SER QB . . 4.740 4.538 4.431 4.666 . 0 0 "[ . 1 . 2]" 1
1278 1 41 PHE QD 1 42 LYS H . . 4.650 4.255 4.123 4.397 . 0 0 "[ . 1 . 2]" 1
1279 1 41 PHE QD 1 44 GLY H . . 5.270 4.826 4.638 5.010 . 0 0 "[ . 1 . 2]" 1
1280 1 41 PHE QD 1 44 GLY HA2 . . 4.700 4.398 4.234 4.501 . 0 0 "[ . 1 . 2]" 1
1281 1 41 PHE QD 1 44 GLY HA3 . . 5.500 5.412 5.175 5.515 0.015 14 0 "[ . 1 . 2]" 1
1282 1 41 PHE QD 1 45 GLU H . . 5.080 4.710 4.517 5.032 . 0 0 "[ . 1 . 2]" 1
1283 1 41 PHE QD 1 45 GLU HA . . 4.570 3.799 3.502 4.338 . 0 0 "[ . 1 . 2]" 1
1284 1 41 PHE QD 1 46 GLU H . . 4.120 3.343 3.140 3.559 . 0 0 "[ . 1 . 2]" 1
1285 1 41 PHE QD 1 46 GLU HA . . 3.760 2.265 2.073 2.455 . 0 0 "[ . 1 . 2]" 1
1286 1 41 PHE QD 1 47 ILE H . . 5.020 4.144 3.876 4.379 . 0 0 "[ . 1 . 2]" 1
1287 1 41 PHE QD 1 80 SER H . . 4.850 4.755 4.596 4.870 0.020 14 0 "[ . 1 . 2]" 1
1288 1 41 PHE QD 1 80 SER QB . . 4.280 4.104 3.968 4.249 . 0 0 "[ . 1 . 2]" 1
1289 1 41 PHE QD 1 81 VAL HA . . 4.270 2.711 2.502 2.895 . 0 0 "[ . 1 . 2]" 1
1290 1 41 PHE QD 1 82 MET H . . 4.650 3.508 3.331 3.647 . 0 0 "[ . 1 . 2]" 1
1291 1 41 PHE QD 1 82 MET HB2 . . 4.540 3.062 2.902 3.170 . 0 0 "[ . 1 . 2]" 1
1292 1 41 PHE QD 1 82 MET QB . . 3.930 2.979 2.837 3.087 . 0 0 "[ . 1 . 2]" 1
1293 1 41 PHE QD 1 82 MET HB3 . . 4.540 4.081 3.922 4.250 . 0 0 "[ . 1 . 2]" 1
1294 1 41 PHE QD 1 82 MET ME . . 4.840 4.323 3.492 4.847 0.007 5 0 "[ . 1 . 2]" 1
1295 1 41 PHE QD 1 82 MET QG . . 5.120 4.809 4.604 4.972 . 0 0 "[ . 1 . 2]" 1
1296 1 41 PHE QE 1 46 GLU H . . 4.760 4.469 4.179 4.770 0.010 14 0 "[ . 1 . 2]" 1
1297 1 41 PHE QE 1 46 GLU HA . . 4.220 3.407 3.223 3.566 . 0 0 "[ . 1 . 2]" 1
1298 1 41 PHE QE 1 46 GLU HB2 . . 4.540 2.242 2.001 2.601 . 0 0 "[ . 1 . 2]" 1
1299 1 41 PHE QE 1 46 GLU QB . . 3.880 2.230 1.993 2.580 . 0 0 "[ . 1 . 2]" 1
1300 1 41 PHE QE 1 46 GLU HB3 . . 4.540 3.965 3.738 4.325 . 0 0 "[ . 1 . 2]" 1
1301 1 41 PHE QE 1 46 GLU HG2 . . 4.930 4.678 4.329 4.932 0.002 13 0 "[ . 1 . 2]" 1
1302 1 41 PHE QE 1 46 GLU HG3 . . 5.030 3.556 2.868 3.931 . 0 0 "[ . 1 . 2]" 1
1303 1 41 PHE QE 1 47 ILE H . . 5.390 4.952 4.759 5.128 . 0 0 "[ . 1 . 2]" 1
1304 1 41 PHE QE 1 81 VAL HA . . 4.740 3.916 3.686 4.154 . 0 0 "[ . 1 . 2]" 1
1305 1 41 PHE QE 1 82 MET H . . 4.110 2.967 2.736 3.181 . 0 0 "[ . 1 . 2]" 1
1306 1 41 PHE QE 1 82 MET HB2 . . 3.530 2.112 2.003 2.298 . 0 0 "[ . 1 . 2]" 1
1307 1 41 PHE QE 1 82 MET HB3 . . 3.530 2.041 1.996 2.154 . 0 0 "[ . 1 . 2]" 1
1308 1 41 PHE QE 1 82 MET ME . . 4.320 3.291 2.589 3.997 . 0 0 "[ . 1 . 2]" 1
1309 1 41 PHE QE 1 82 MET QG . . 4.180 3.818 3.569 3.943 . 0 0 "[ . 1 . 2]" 1
1310 1 41 PHE HZ 1 82 MET HB2 . . 4.850 3.898 3.650 4.153 . 0 0 "[ . 1 . 2]" 1
1311 1 41 PHE HZ 1 82 MET QB . . 4.220 3.147 2.894 3.337 . 0 0 "[ . 1 . 2]" 1
1312 1 41 PHE HZ 1 82 MET HB3 . . 4.850 3.325 3.035 3.551 . 0 0 "[ . 1 . 2]" 1
1313 1 41 PHE HZ 1 82 MET ME . . 4.530 3.085 2.057 4.347 . 0 0 "[ . 1 . 2]" 1
1314 1 41 PHE HZ 1 82 MET QG . . 5.290 4.746 4.257 5.036 . 0 0 "[ . 1 . 2]" 1
1315 1 42 LYS H 1 42 LYS HB2 . . 3.780 2.859 2.322 3.242 . 0 0 "[ . 1 . 2]" 1
1316 1 42 LYS H 1 42 LYS HB3 . . 3.470 2.541 2.329 2.867 . 0 0 "[ . 1 . 2]" 1
1317 1 42 LYS H 1 42 LYS QG . . 4.640 3.950 3.781 4.065 . 0 0 "[ . 1 . 2]" 1
1318 1 42 LYS H 1 43 ASN H . . 4.690 4.115 3.979 4.248 . 0 0 "[ . 1 . 2]" 1
1319 1 42 LYS H 1 44 GLY H . . 4.980 3.865 3.698 3.998 . 0 0 "[ . 1 . 2]" 1
1320 1 42 LYS H 1 45 GLU H . . 3.660 3.541 3.364 3.658 . 0 0 "[ . 1 . 2]" 1
1321 1 42 LYS H 1 45 GLU QB . . 4.870 3.808 3.090 4.249 . 0 0 "[ . 1 . 2]" 1
1322 1 42 LYS H 1 46 GLU HA . . 4.030 3.832 3.735 3.976 . 0 0 "[ . 1 . 2]" 1
1323 1 42 LYS H 1 47 ILE MD . . 4.150 3.424 3.039 3.635 . 0 0 "[ . 1 . 2]" 1
1324 1 42 LYS H 1 47 ILE HG12 . . 4.470 3.679 3.379 3.937 . 0 0 "[ . 1 . 2]" 1
1325 1 42 LYS H 1 47 ILE HG13 . . 3.930 2.636 2.169 2.840 . 0 0 "[ . 1 . 2]" 1
1326 1 42 LYS HA 1 42 LYS QD . . 5.010 3.863 2.550 4.094 . 0 0 "[ . 1 . 2]" 1
1327 1 42 LYS HA 1 42 LYS QG . . 3.390 2.498 2.297 2.851 . 0 0 "[ . 1 . 2]" 1
1328 1 42 LYS HA 1 43 ASN H . . 3.040 2.202 2.158 2.244 . 0 0 "[ . 1 . 2]" 1
1329 1 42 LYS HA 1 43 ASN QB . . 4.820 4.120 3.929 4.499 . 0 0 "[ . 1 . 2]" 1
1330 1 42 LYS HA 1 44 GLY H . . 4.570 3.887 3.750 4.074 . 0 0 "[ . 1 . 2]" 1
1331 1 42 LYS HA 1 47 ILE MD . . 4.360 3.534 3.137 3.864 . 0 0 "[ . 1 . 2]" 1
1332 1 42 LYS HA 1 77 ALA MB . . 4.050 3.879 3.751 3.997 . 0 0 "[ . 1 . 2]" 1
1333 1 42 LYS HA 1 79 TYR HA . . 3.470 2.675 2.427 2.962 . 0 0 "[ . 1 . 2]" 1
1334 1 42 LYS HA 1 79 TYR QD . . 4.250 3.472 3.074 3.760 . 0 0 "[ . 1 . 2]" 1
1335 1 42 LYS HA 1 79 TYR QE . . 4.840 4.173 3.792 4.512 . 0 0 "[ . 1 . 2]" 1
1336 1 42 LYS HA 1 80 SER H . . 4.230 3.720 3.553 3.982 . 0 0 "[ . 1 . 2]" 1
1337 1 42 LYS HB2 1 42 LYS QD . . 3.490 2.447 2.169 2.742 . 0 0 "[ . 1 . 2]" 1
1338 1 42 LYS HB2 1 42 LYS QE . . 4.690 4.015 3.686 4.294 . 0 0 "[ . 1 . 2]" 1
1339 1 42 LYS HB2 1 43 ASN H . . 4.940 4.488 4.282 4.644 . 0 0 "[ . 1 . 2]" 1
1340 1 42 LYS HB2 1 47 ILE MD . . 3.310 2.208 2.013 2.463 . 0 0 "[ . 1 . 2]" 1
1341 1 42 LYS HB2 1 47 ILE HG12 . . 4.520 3.027 2.538 3.521 . 0 0 "[ . 1 . 2]" 1
1342 1 42 LYS HB2 1 55 TYR QE . . 4.970 4.337 3.898 4.695 . 0 0 "[ . 1 . 2]" 1
1343 1 42 LYS HB2 1 79 TYR QD . . 4.720 3.675 3.178 4.293 . 0 0 "[ . 1 . 2]" 1
1344 1 42 LYS HB2 1 79 TYR QE . . 4.240 3.173 2.429 3.755 . 0 0 "[ . 1 . 2]" 1
1345 1 42 LYS HB3 1 45 GLU H . . 4.740 4.229 3.548 4.556 . 0 0 "[ . 1 . 2]" 1
1346 1 42 LYS HB3 1 47 ILE MD . . 3.710 3.494 2.961 3.723 0.013 14 0 "[ . 1 . 2]" 1
1347 1 42 LYS HB3 1 47 ILE HG12 . . 4.530 3.490 2.876 4.033 . 0 0 "[ . 1 . 2]" 1
1348 1 42 LYS HB3 1 79 TYR QE . . 5.030 4.661 4.060 5.023 . 0 0 "[ . 1 . 2]" 1
1349 1 42 LYS QD 1 47 ILE MD . . 4.540 3.594 3.129 3.944 . 0 0 "[ . 1 . 2]" 1
1350 1 42 LYS QD 1 55 TYR QE . . 4.340 3.257 2.961 3.573 . 0 0 "[ . 1 . 2]" 1
1351 1 42 LYS QD 1 77 ALA MB . . 3.660 3.396 2.283 3.628 . 0 0 "[ . 1 . 2]" 1
1352 1 42 LYS QD 1 79 TYR QE . . 4.120 3.071 2.477 3.549 . 0 0 "[ . 1 . 2]" 1
1353 1 42 LYS HD2 1 55 TYR QE . . 5.060 3.495 3.219 4.575 . 0 0 "[ . 1 . 2]" 1
1354 1 42 LYS HD2 1 79 TYR QE . . 4.880 3.173 2.510 3.657 . 0 0 "[ . 1 . 2]" 1
1355 1 42 LYS HD3 1 55 TYR QE . . 5.060 4.150 3.150 5.006 . 0 0 "[ . 1 . 2]" 1
1356 1 42 LYS HD3 1 79 TYR QE . . 4.880 4.335 2.605 4.880 0.000 8 0 "[ . 1 . 2]" 1
1357 1 42 LYS QE 1 42 LYS QG . . 3.020 2.151 2.049 2.331 . 0 0 "[ . 1 . 2]" 1
1358 1 42 LYS QE 1 43 ASN QD . . 4.320 3.783 1.989 4.320 . 0 0 "[ . 1 . 2]" 1
1359 1 42 LYS QE 1 75 ASP HA . . 3.620 2.624 2.027 3.625 0.005 17 0 "[ . 1 . 2]" 1
1360 1 42 LYS QE 1 79 TYR QE . . 5.070 3.867 3.163 4.569 . 0 0 "[ . 1 . 2]" 1
1361 1 42 LYS HE2 1 42 LYS QG . . 3.460 2.364 2.101 3.252 . 0 0 "[ . 1 . 2]" 1
1362 1 42 LYS HE2 1 75 ASP HA . . 4.280 3.827 3.299 4.294 0.014 14 0 "[ . 1 . 2]" 1
1363 1 42 LYS HE2 1 77 ALA MB . . 3.380 2.247 1.862 3.339 . 0 0 "[ . 1 . 2]" 1
1364 1 42 LYS HE3 1 42 LYS QG . . 3.460 2.864 2.095 3.302 . 0 0 "[ . 1 . 2]" 1
1365 1 42 LYS HE3 1 75 ASP HA . . 4.280 2.729 2.040 4.301 0.021 17 0 "[ . 1 . 2]" 1
1366 1 42 LYS HE3 1 77 ALA MB . . 3.380 2.717 2.039 3.310 . 0 0 "[ . 1 . 2]" 1
1367 1 42 LYS QG 1 43 ASN H . . 4.110 3.400 3.252 3.602 . 0 0 "[ . 1 . 2]" 1
1368 1 42 LYS QG 1 43 ASN QB . . 4.240 2.999 2.611 3.951 . 0 0 "[ . 1 . 2]" 1
1369 1 42 LYS QG 1 43 ASN QD . . 4.930 3.891 2.365 4.779 . 0 0 "[ . 1 . 2]" 1
1370 1 42 LYS QG 1 77 ALA MB . . 2.930 2.353 2.183 2.868 . 0 0 "[ . 1 . 2]" 1
1371 1 42 LYS QG 1 78 GLU H . . 5.500 4.685 4.464 5.182 . 0 0 "[ . 1 . 2]" 1
1372 1 42 LYS QG 1 79 TYR QE . . 4.620 3.212 2.257 4.347 . 0 0 "[ . 1 . 2]" 1
1373 1 43 ASN H 1 44 GLY H . . 3.670 2.588 2.464 2.769 . 0 0 "[ . 1 . 2]" 1
1374 1 43 ASN H 1 45 GLU H . . 5.120 4.285 4.139 4.430 . 0 0 "[ . 1 . 2]" 1
1375 1 43 ASN H 1 77 ALA MB . . 3.840 3.637 3.463 3.837 . 0 0 "[ . 1 . 2]" 1
1376 1 43 ASN H 1 78 GLU H . . 4.290 4.192 4.047 4.292 0.002 20 0 "[ . 1 . 2]" 1
1377 1 43 ASN H 1 78 GLU HB3 . . 4.230 3.890 3.727 4.035 . 0 0 "[ . 1 . 2]" 1
1378 1 43 ASN H 1 79 TYR HA . . 4.210 3.016 2.455 3.382 . 0 0 "[ . 1 . 2]" 1
1379 1 43 ASN H 1 79 TYR QD . . 5.390 4.899 4.520 5.253 . 0 0 "[ . 1 . 2]" 1
1380 1 43 ASN HA 1 44 GLY H . . 3.330 2.945 2.873 2.990 . 0 0 "[ . 1 . 2]" 1
1381 1 43 ASN HA 1 44 GLY HA2 . . 4.730 4.669 4.601 4.708 . 0 0 "[ . 1 . 2]" 1
1382 1 43 ASN HA 1 78 GLU H . . 4.980 3.709 3.342 4.108 . 0 0 "[ . 1 . 2]" 1
1383 1 43 ASN HA 1 78 GLU HB3 . . 3.910 2.853 2.483 3.268 . 0 0 "[ . 1 . 2]" 1
1384 1 43 ASN QB 1 43 ASN QD . . 3.000 2.171 2.067 2.367 . 0 0 "[ . 1 . 2]" 1
1385 1 43 ASN QB 1 44 GLY H . . 4.000 3.804 3.741 4.032 0.032 14 0 "[ . 1 . 2]" 1
1386 1 43 ASN QB 1 77 ALA MB . . 4.900 2.738 1.926 3.751 . 0 0 "[ . 1 . 2]" 1
1387 1 43 ASN HB2 1 44 GLY H . . 4.550 4.300 4.019 4.525 . 0 0 "[ . 1 . 2]" 1
1388 1 43 ASN HB3 1 44 GLY H . . 4.550 4.280 4.044 4.526 . 0 0 "[ . 1 . 2]" 1
1389 1 43 ASN QD 1 77 ALA HA . . 3.790 3.193 2.553 3.877 0.087 14 0 "[ . 1 . 2]" 1
1390 1 43 ASN QD 1 77 ALA MB . . 2.940 1.967 1.706 2.232 . 0 0 "[ . 1 . 2]" 1
1391 1 43 ASN QD 1 78 GLU H . . 4.420 2.935 1.957 3.708 . 0 0 "[ . 1 . 2]" 1
1392 1 43 ASN HD21 1 77 ALA MB . . 3.510 2.451 1.715 3.174 . 0 0 "[ . 1 . 2]" 1
1393 1 43 ASN HD22 1 77 ALA MB . . 3.510 2.656 1.769 3.512 0.002 13 0 "[ . 1 . 2]" 1
1394 1 44 GLY H 1 45 GLU H . . 3.630 2.722 2.616 2.835 . 0 0 "[ . 1 . 2]" 1
1395 1 45 GLU H 1 45 GLU HB2 . . 3.600 3.066 2.197 3.582 . 0 0 "[ . 1 . 2]" 1
1396 1 45 GLU H 1 45 GLU QB . . 2.970 2.288 2.175 2.358 . 0 0 "[ . 1 . 2]" 1
1397 1 45 GLU H 1 45 GLU HB3 . . 3.600 2.814 2.288 3.601 0.001 9 0 "[ . 1 . 2]" 1
1398 1 45 GLU H 1 45 GLU HG2 . . 4.000 3.085 2.577 3.979 . 0 0 "[ . 1 . 2]" 1
1399 1 45 GLU H 1 45 GLU QG . . 3.350 2.720 2.525 3.346 . 0 0 "[ . 1 . 2]" 1
1400 1 45 GLU H 1 45 GLU HG3 . . 4.000 3.600 2.556 3.971 . 0 0 "[ . 1 . 2]" 1
1401 1 45 GLU H 1 46 GLU H . . 4.740 4.607 4.557 4.625 . 0 0 "[ . 1 . 2]" 1
1402 1 45 GLU QB 1 46 GLU H . . 3.730 2.868 2.686 3.158 . 0 0 "[ . 1 . 2]" 1
1403 1 45 GLU HB2 1 46 GLU H . . 4.360 3.392 2.877 4.296 . 0 0 "[ . 1 . 2]" 1
1404 1 45 GLU HB3 1 46 GLU H . . 4.360 3.662 2.735 4.212 . 0 0 "[ . 1 . 2]" 1
1405 1 45 GLU QG 1 46 GLU H . . 4.140 3.511 3.135 4.115 . 0 0 "[ . 1 . 2]" 1
1406 1 45 GLU HG2 1 46 GLU H . . 4.930 4.337 3.932 4.928 . 0 0 "[ . 1 . 2]" 1
1407 1 45 GLU HG3 1 46 GLU H . . 4.930 3.861 3.213 4.923 . 0 0 "[ . 1 . 2]" 1
1408 1 46 GLU H 1 46 GLU HB2 . . 3.290 2.808 2.662 2.893 . 0 0 "[ . 1 . 2]" 1
1409 1 46 GLU H 1 46 GLU QB . . 2.880 2.259 2.233 2.298 . 0 0 "[ . 1 . 2]" 1
1410 1 46 GLU H 1 46 GLU HB3 . . 3.290 2.383 2.334 2.459 . 0 0 "[ . 1 . 2]" 1
1411 1 46 GLU H 1 46 GLU HG2 . . 4.570 4.340 4.284 4.441 . 0 0 "[ . 1 . 2]" 1
1412 1 46 GLU H 1 46 GLU HG3 . . 4.780 4.516 4.467 4.598 . 0 0 "[ . 1 . 2]" 1
1413 1 46 GLU H 1 47 ILE H . . 5.240 4.526 4.450 4.586 . 0 0 "[ . 1 . 2]" 1
1414 1 46 GLU HA 1 46 GLU HG2 . . 3.570 3.401 3.148 3.576 0.006 19 0 "[ . 1 . 2]" 1
1415 1 46 GLU HA 1 46 GLU HG3 . . 3.110 2.570 2.443 2.726 . 0 0 "[ . 1 . 2]" 1
1416 1 46 GLU HA 1 47 ILE H . . 2.830 2.168 2.139 2.217 . 0 0 "[ . 1 . 2]" 1
1417 1 46 GLU HA 1 47 ILE HB . . 4.830 4.586 4.527 4.638 . 0 0 "[ . 1 . 2]" 1
1418 1 46 GLU HA 1 47 ILE HG12 . . 5.260 5.119 4.849 5.247 . 0 0 "[ . 1 . 2]" 1
1419 1 46 GLU HA 1 47 ILE HG13 . . 3.910 3.799 3.639 3.918 0.008 14 0 "[ . 1 . 2]" 1
1420 1 46 GLU QB 1 47 ILE H . . 4.090 3.706 3.583 3.848 . 0 0 "[ . 1 . 2]" 1
1421 1 46 GLU QB 1 48 ILE MD . . 3.920 3.395 2.919 3.848 . 0 0 "[ . 1 . 2]" 1
1422 1 46 GLU HB2 1 47 ILE H . . 4.700 4.113 3.970 4.295 . 0 0 "[ . 1 . 2]" 1
1423 1 46 GLU HB3 1 47 ILE H . . 4.700 4.212 4.080 4.345 . 0 0 "[ . 1 . 2]" 1
1424 1 46 GLU HG2 1 47 ILE H . . 3.730 3.373 2.847 3.669 . 0 0 "[ . 1 . 2]" 1
1425 1 46 GLU HG2 1 48 ILE MD . . 3.120 2.401 2.027 2.814 . 0 0 "[ . 1 . 2]" 1
1426 1 46 GLU HG2 1 48 ILE HG12 . . 4.620 3.555 2.802 4.259 . 0 0 "[ . 1 . 2]" 1
1427 1 46 GLU HG2 1 48 ILE QG . . 4.010 2.867 2.745 3.104 . 0 0 "[ . 1 . 2]" 1
1428 1 46 GLU HG2 1 48 ILE HG13 . . 4.620 3.490 2.870 4.203 . 0 0 "[ . 1 . 2]" 1
1429 1 46 GLU HG3 1 47 ILE H . . 3.660 2.724 2.315 3.402 . 0 0 "[ . 1 . 2]" 1
1430 1 46 GLU HG3 1 48 ILE MD . . 4.840 3.741 3.184 4.267 . 0 0 "[ . 1 . 2]" 1
1431 1 46 GLU HG3 1 48 ILE QG . . 4.340 4.259 4.085 4.347 0.007 19 0 "[ . 1 . 2]" 1
1432 1 47 ILE H 1 47 ILE HB . . 3.340 2.466 2.419 2.504 . 0 0 "[ . 1 . 2]" 1
1433 1 47 ILE H 1 47 ILE MD . . 3.890 3.769 3.526 3.892 0.002 19 0 "[ . 1 . 2]" 1
1434 1 47 ILE H 1 47 ILE HG12 . . 3.920 3.695 3.516 3.865 . 0 0 "[ . 1 . 2]" 1
1435 1 47 ILE H 1 47 ILE HG13 . . 3.560 2.501 2.279 2.657 . 0 0 "[ . 1 . 2]" 1
1436 1 47 ILE H 1 47 ILE MG . . 3.830 3.768 3.746 3.787 . 0 0 "[ . 1 . 2]" 1
1437 1 47 ILE H 1 48 ILE H . . 4.750 4.545 4.469 4.583 . 0 0 "[ . 1 . 2]" 1
1438 1 47 ILE HA 1 47 ILE MD . . 3.880 3.807 3.770 3.857 . 0 0 "[ . 1 . 2]" 1
1439 1 47 ILE HA 1 47 ILE HG12 . . 3.460 2.493 2.432 2.598 . 0 0 "[ . 1 . 2]" 1
1440 1 47 ILE HA 1 47 ILE HG13 . . 3.870 2.982 2.899 3.114 . 0 0 "[ . 1 . 2]" 1
1441 1 47 ILE HA 1 47 ILE MG . . 3.090 2.422 2.319 2.476 . 0 0 "[ . 1 . 2]" 1
1442 1 47 ILE HA 1 48 ILE H . . 2.790 2.189 2.153 2.242 . 0 0 "[ . 1 . 2]" 1
1443 1 47 ILE HA 1 48 ILE HB . . 4.820 4.615 4.564 4.692 . 0 0 "[ . 1 . 2]" 1
1444 1 47 ILE HA 1 48 ILE MD . . 4.820 3.597 2.571 4.746 . 0 0 "[ . 1 . 2]" 1
1445 1 47 ILE HA 1 48 ILE QG . . 4.540 3.890 3.385 4.346 . 0 0 "[ . 1 . 2]" 1
1446 1 47 ILE HB 1 47 ILE MD . . 3.440 2.424 2.352 2.505 . 0 0 "[ . 1 . 2]" 1
1447 1 47 ILE HB 1 48 ILE H . . 5.210 4.082 3.914 4.190 . 0 0 "[ . 1 . 2]" 1
1448 1 47 ILE HB 1 66 LEU QD . . 4.370 3.851 3.650 4.085 . 0 0 "[ . 1 . 2]" 1
1449 1 47 ILE MD 1 48 ILE H . . 5.270 4.891 4.672 5.120 . 0 0 "[ . 1 . 2]" 1
1450 1 47 ILE MD 1 55 TYR H . . 5.500 5.482 5.403 5.509 0.009 18 0 "[ . 1 . 2]" 1
1451 1 47 ILE MD 1 55 TYR QB . . 4.270 3.048 2.916 3.243 . 0 0 "[ . 1 . 2]" 1
1452 1 47 ILE MD 1 55 TYR QE . . 4.120 3.314 3.072 3.566 . 0 0 "[ . 1 . 2]" 1
1453 1 47 ILE MD 1 66 LEU MD1 . . 3.190 2.773 2.165 3.135 . 0 0 "[ . 1 . 2]" 1
1454 1 47 ILE MD 1 66 LEU MD2 . . 3.190 2.643 2.422 3.192 0.002 13 0 "[ . 1 . 2]" 1
1455 1 47 ILE MD 1 79 TYR QD . . 3.160 2.649 2.299 3.039 . 0 0 "[ . 1 . 2]" 1
1456 1 47 ILE MD 1 79 TYR QE . . 3.310 2.578 2.205 3.183 . 0 0 "[ . 1 . 2]" 1
1457 1 47 ILE MD 1 80 SER H . . 5.500 5.231 4.975 5.465 . 0 0 "[ . 1 . 2]" 1
1458 1 47 ILE HG12 1 47 ILE MG . . 3.700 2.366 2.270 2.440 . 0 0 "[ . 1 . 2]" 1
1459 1 47 ILE HG12 1 55 TYR QD . . 4.750 4.219 3.890 4.591 . 0 0 "[ . 1 . 2]" 1
1460 1 47 ILE HG13 1 48 ILE H . . 5.010 4.966 4.849 5.029 0.019 7 0 "[ . 1 . 2]" 1
1461 1 47 ILE MG 1 48 ILE H . . 3.500 2.268 2.031 2.600 . 0 0 "[ . 1 . 2]" 1
1462 1 47 ILE MG 1 48 ILE HA . . 4.120 3.483 3.323 3.652 . 0 0 "[ . 1 . 2]" 1
1463 1 47 ILE MG 1 49 PRO HA . . 4.100 3.701 3.616 3.760 . 0 0 "[ . 1 . 2]" 1
1464 1 47 ILE MG 1 49 PRO QB . . 4.550 3.442 3.360 3.557 . 0 0 "[ . 1 . 2]" 1
1465 1 47 ILE MG 1 49 PRO HD2 . . 4.150 3.676 3.518 3.869 . 0 0 "[ . 1 . 2]" 1
1466 1 47 ILE MG 1 49 PRO HD3 . . 3.410 2.243 1.980 2.541 . 0 0 "[ . 1 . 2]" 1
1467 1 47 ILE MG 1 49 PRO HG2 . . 5.220 4.732 4.577 4.901 . 0 0 "[ . 1 . 2]" 1
1468 1 47 ILE MG 1 49 PRO HG3 . . 4.640 3.850 3.661 4.080 . 0 0 "[ . 1 . 2]" 1
1469 1 47 ILE MG 1 55 TYR H . . 4.310 3.982 3.800 4.179 . 0 0 "[ . 1 . 2]" 1
1470 1 47 ILE MG 1 55 TYR HA . . 5.030 4.372 4.130 4.638 . 0 0 "[ . 1 . 2]" 1
1471 1 47 ILE MG 1 55 TYR QB . . 3.210 2.070 1.888 2.290 . 0 0 "[ . 1 . 2]" 1
1472 1 47 ILE MG 1 55 TYR QD . . 3.190 2.581 2.255 2.850 . 0 0 "[ . 1 . 2]" 1
1473 1 47 ILE MG 1 56 ARG H . . 5.500 4.903 4.630 5.254 . 0 0 "[ . 1 . 2]" 1
1474 1 48 ILE H 1 48 ILE HB . . 3.350 2.706 2.656 2.780 . 0 0 "[ . 1 . 2]" 1
1475 1 48 ILE H 1 48 ILE MD . . 4.010 3.016 2.090 3.999 . 0 0 "[ . 1 . 2]" 1
1476 1 48 ILE H 1 48 ILE QG . . 3.630 3.069 2.572 3.500 . 0 0 "[ . 1 . 2]" 1
1477 1 48 ILE H 1 48 ILE MG . . 3.930 3.879 3.854 3.911 . 0 0 "[ . 1 . 2]" 1
1478 1 48 ILE H 1 49 PRO HD2 . . 5.080 4.360 4.279 4.435 . 0 0 "[ . 1 . 2]" 1
1479 1 48 ILE H 1 49 PRO HD3 . . 5.000 3.766 3.633 3.888 . 0 0 "[ . 1 . 2]" 1
1480 1 48 ILE H 1 57 ILE MD . . 5.500 5.341 5.092 5.502 0.002 8 0 "[ . 1 . 2]" 1
1481 1 48 ILE HA 1 48 ILE MD . . 3.310 2.714 1.973 3.320 0.010 5 0 "[ . 1 . 2]" 1
1482 1 48 ILE HA 1 48 ILE HG12 . . 3.880 3.263 2.861 3.576 . 0 0 "[ . 1 . 2]" 1
1483 1 48 ILE HA 1 48 ILE HG13 . . 3.880 3.078 2.349 3.814 . 0 0 "[ . 1 . 2]" 1
1484 1 48 ILE HA 1 48 ILE MG . . 2.910 2.302 2.219 2.431 . 0 0 "[ . 1 . 2]" 1
1485 1 48 ILE HA 1 49 PRO HD2 . . 2.920 1.936 1.921 1.942 . 0 0 "[ . 1 . 2]" 1
1486 1 48 ILE HA 1 49 PRO HD3 . . 2.840 2.642 2.586 2.661 . 0 0 "[ . 1 . 2]" 1
1487 1 48 ILE HA 1 49 PRO HG2 . . 4.750 4.123 4.115 4.126 . 0 0 "[ . 1 . 2]" 1
1488 1 48 ILE HA 1 49 PRO HG3 . . 4.700 4.464 4.429 4.476 . 0 0 "[ . 1 . 2]" 1
1489 1 48 ILE HA 1 57 ILE MD . . 4.950 4.326 4.052 4.603 . 0 0 "[ . 1 . 2]" 1
1490 1 48 ILE HB 1 48 ILE MD . . 3.550 2.756 2.266 3.230 . 0 0 "[ . 1 . 2]" 1
1491 1 48 ILE HB 1 49 PRO HD2 . . 4.970 4.715 4.680 4.739 . 0 0 "[ . 1 . 2]" 1
1492 1 48 ILE HB 1 49 PRO HD3 . . 5.190 5.087 5.081 5.102 . 0 0 "[ . 1 . 2]" 1
1493 1 48 ILE MD 1 49 PRO HD2 . . 5.180 4.135 3.145 4.919 . 0 0 "[ . 1 . 2]" 1
1494 1 48 ILE MD 1 49 PRO HD3 . . 5.210 4.591 3.980 4.984 . 0 0 "[ . 1 . 2]" 1
1495 1 48 ILE QG 1 48 ILE MG . . 2.800 2.174 1.959 2.425 . 0 0 "[ . 1 . 2]" 1
1496 1 48 ILE HG12 1 48 ILE MG . . 3.380 2.619 2.014 3.196 . 0 0 "[ . 1 . 2]" 1
1497 1 48 ILE HG13 1 48 ILE MG . . 3.380 2.539 2.337 2.690 . 0 0 "[ . 1 . 2]" 1
1498 1 48 ILE MG 1 49 PRO HD2 . . 3.360 3.097 2.963 3.176 . 0 0 "[ . 1 . 2]" 1
1499 1 48 ILE MG 1 49 PRO HD3 . . 4.190 4.210 4.127 4.226 0.036 13 0 "[ . 1 . 2]" 1
1500 1 48 ILE MG 1 49 PRO HG2 . . 4.840 4.322 4.190 4.357 . 0 0 "[ . 1 . 2]" 1
1501 1 48 ILE MG 1 50 GLY H . . 5.500 5.428 5.300 5.508 0.008 8 0 "[ . 1 . 2]" 1
1502 1 48 ILE MG 1 50 GLY QA . . 4.810 4.381 4.261 4.446 . 0 0 "[ . 1 . 2]" 1
1503 1 49 PRO HA 1 50 GLY H . . 2.740 2.594 2.505 2.711 . 0 0 "[ . 1 . 2]" 1
1504 1 49 PRO HA 1 53 SER HB2 . . 3.970 2.584 2.074 3.352 . 0 0 "[ . 1 . 2]" 1
1505 1 49 PRO HA 1 53 SER HB3 . . 3.970 2.504 1.998 3.090 . 0 0 "[ . 1 . 2]" 1
1506 1 49 PRO HA 1 55 TYR H . . 4.890 3.762 3.323 4.133 . 0 0 "[ . 1 . 2]" 1
1507 1 49 PRO HA 1 55 TYR QB . . 4.140 3.262 3.012 3.595 . 0 0 "[ . 1 . 2]" 1
1508 1 49 PRO HA 1 57 ILE MD . . 5.180 4.931 4.610 5.175 . 0 0 "[ . 1 . 2]" 1
1509 1 49 PRO QB 1 50 GLY H . . 3.300 2.147 1.918 2.328 . 0 0 "[ . 1 . 2]" 1
1510 1 49 PRO QB 1 53 SER QB . . 3.830 3.493 3.156 3.832 0.002 7 0 "[ . 1 . 2]" 1
1511 1 49 PRO QB 1 55 TYR QB . . 4.130 2.981 2.810 3.125 . 0 0 "[ . 1 . 2]" 1
1512 1 49 PRO QB 1 56 ARG HA . . 3.400 2.440 2.076 2.908 . 0 0 "[ . 1 . 2]" 1
1513 1 49 PRO QB 1 56 ARG QG . . 4.640 3.875 3.479 4.191 . 0 0 "[ . 1 . 2]" 1
1514 1 49 PRO QB 1 57 ILE H . . 4.310 2.671 2.304 3.142 . 0 0 "[ . 1 . 2]" 1
1515 1 49 PRO QB 1 57 ILE MD . . 4.090 3.286 2.932 3.543 . 0 0 "[ . 1 . 2]" 1
1516 1 49 PRO QB 1 57 ILE HG13 . . 5.040 3.249 2.979 3.650 . 0 0 "[ . 1 . 2]" 1
1517 1 49 PRO HB2 1 50 GLY H . . 3.810 2.180 1.935 2.376 . 0 0 "[ . 1 . 2]" 1
1518 1 49 PRO HB2 1 53 SER HB2 . . 5.190 4.243 3.680 5.174 . 0 0 "[ . 1 . 2]" 1
1519 1 49 PRO HB2 1 53 SER HB3 . . 5.190 4.792 3.842 5.187 . 0 0 "[ . 1 . 2]" 1
1520 1 49 PRO HB2 1 55 TYR QB . . 4.940 4.530 4.343 4.631 . 0 0 "[ . 1 . 2]" 1
1521 1 49 PRO HB2 1 56 ARG HA . . 3.980 2.847 2.324 3.362 . 0 0 "[ . 1 . 2]" 1
1522 1 49 PRO HB2 1 57 ILE H . . 4.910 3.112 2.721 3.585 . 0 0 "[ . 1 . 2]" 1
1523 1 49 PRO HB2 1 57 ILE HB . . 5.500 4.596 4.349 4.920 . 0 0 "[ . 1 . 2]" 1
1524 1 49 PRO HB3 1 50 GLY H . . 3.810 3.257 3.160 3.341 . 0 0 "[ . 1 . 2]" 1
1525 1 49 PRO HB3 1 53 SER HB2 . . 5.190 4.423 3.903 5.174 . 0 0 "[ . 1 . 2]" 1
1526 1 49 PRO HB3 1 53 SER HB3 . . 5.190 4.489 3.947 4.915 . 0 0 "[ . 1 . 2]" 1
1527 1 49 PRO HB3 1 55 TYR QB . . 4.940 3.023 2.846 3.177 . 0 0 "[ . 1 . 2]" 1
1528 1 49 PRO HB3 1 56 ARG HA . . 3.980 2.656 2.286 3.184 . 0 0 "[ . 1 . 2]" 1
1529 1 49 PRO HB3 1 57 ILE H . . 4.910 2.911 2.488 3.474 . 0 0 "[ . 1 . 2]" 1
1530 1 49 PRO HB3 1 57 ILE HB . . 5.500 4.488 4.255 4.827 . 0 0 "[ . 1 . 2]" 1
1531 1 49 PRO HD2 1 57 ILE MD . . 3.850 3.150 2.915 3.403 . 0 0 "[ . 1 . 2]" 1
1532 1 49 PRO HD3 1 57 ILE MD . . 3.580 2.318 2.096 2.585 . 0 0 "[ . 1 . 2]" 1
1533 1 49 PRO HG2 1 55 TYR QB . . 5.500 5.405 5.208 5.506 0.006 14 0 "[ . 1 . 2]" 1
1534 1 49 PRO HG2 1 57 ILE H . . 4.850 3.959 3.481 4.381 . 0 0 "[ . 1 . 2]" 1
1535 1 49 PRO HG2 1 57 ILE HB . . 4.410 4.051 3.606 4.374 . 0 0 "[ . 1 . 2]" 1
1536 1 49 PRO HG2 1 57 ILE MD . . 4.040 3.201 2.875 3.465 . 0 0 "[ . 1 . 2]" 1
1537 1 49 PRO HG2 1 57 ILE HG13 . . 5.080 4.490 3.923 4.898 . 0 0 "[ . 1 . 2]" 1
1538 1 49 PRO HG3 1 50 GLY H . . 4.910 4.751 4.541 4.911 0.001 3 0 "[ . 1 . 2]" 1
1539 1 49 PRO HG3 1 55 TYR QB . . 4.800 4.436 4.260 4.602 . 0 0 "[ . 1 . 2]" 1
1540 1 49 PRO HG3 1 56 ARG HA . . 4.840 4.088 3.669 4.494 . 0 0 "[ . 1 . 2]" 1
1541 1 49 PRO HG3 1 57 ILE MD . . 3.890 1.931 1.801 2.046 . 0 0 "[ . 1 . 2]" 1
1542 1 49 PRO HG3 1 57 ILE HG13 . . 4.680 2.759 2.193 3.160 . 0 0 "[ . 1 . 2]" 1
1543 1 49 PRO HG3 1 57 ILE MG . . 4.750 4.247 3.986 4.481 . 0 0 "[ . 1 . 2]" 1
1544 1 49 PRO HG3 1 66 LEU QD . . 5.440 4.555 4.167 4.951 . 0 0 "[ . 1 . 2]" 1
1545 1 50 GLY H 1 51 PRO QD . . 4.720 4.340 4.328 4.353 . 0 0 "[ . 1 . 2]" 1
1546 1 50 GLY H 1 53 SER H . . 4.650 4.123 3.691 4.569 . 0 0 "[ . 1 . 2]" 1
1547 1 50 GLY H 1 53 SER HB2 . . 4.000 2.609 2.174 3.763 . 0 0 "[ . 1 . 2]" 1
1548 1 50 GLY H 1 53 SER QB . . 3.450 2.374 2.162 2.610 . 0 0 "[ . 1 . 2]" 1
1549 1 50 GLY H 1 53 SER HB3 . . 4.000 3.585 2.198 3.925 . 0 0 "[ . 1 . 2]" 1
1550 1 50 GLY HA2 1 51 PRO HD2 . . 3.080 2.952 2.842 3.005 . 0 0 "[ . 1 . 2]" 1
1551 1 50 GLY HA2 1 51 PRO HD3 . . 3.080 2.666 2.570 2.715 . 0 0 "[ . 1 . 2]" 1
1552 1 50 GLY HA2 1 51 PRO QG . . 4.420 4.396 4.310 4.439 0.019 7 0 "[ . 1 . 2]" 1
1553 1 50 GLY HA3 1 51 PRO HD2 . . 3.080 2.124 2.084 2.210 . 0 0 "[ . 1 . 2]" 1
1554 1 50 GLY HA3 1 51 PRO HD3 . . 3.080 2.974 2.920 3.083 0.003 9 0 "[ . 1 . 2]" 1
1555 1 50 GLY HA3 1 51 PRO QG . . 4.420 3.950 3.920 4.013 . 0 0 "[ . 1 . 2]" 1
1556 1 51 PRO HA 1 53 SER H . . 4.980 4.378 3.828 4.951 . 0 0 "[ . 1 . 2]" 1
1557 1 51 PRO QB 1 52 LYS QG . . 4.260 3.228 2.696 4.004 . 0 0 "[ . 1 . 2]" 1
1558 1 51 PRO QG 1 52 LYS QG . . 4.400 3.218 1.987 4.371 . 0 0 "[ . 1 . 2]" 1
1559 1 52 LYS H 1 53 SER H . . 4.800 2.552 1.820 3.044 . 0 0 "[ . 1 . 2]" 1
1560 1 52 LYS HA 1 52 LYS QD . . 4.100 3.387 2.175 4.199 0.099 15 0 "[ . 1 . 2]" 1
1561 1 52 LYS HA 1 52 LYS HG2 . . 3.760 2.697 2.176 3.543 . 0 0 "[ . 1 . 2]" 1
1562 1 52 LYS HA 1 52 LYS QG . . 3.150 2.428 2.137 3.241 0.091 15 0 "[ . 1 . 2]" 1
1563 1 52 LYS HA 1 52 LYS HG3 . . 3.760 3.174 2.254 3.842 0.082 15 0 "[ . 1 . 2]" 1
1564 1 52 LYS QB 1 53 SER H . . 4.250 3.472 2.635 3.988 . 0 0 "[ . 1 . 2]" 1
1565 1 52 LYS HB2 1 53 SER H . . 4.930 3.779 2.708 4.404 . 0 0 "[ . 1 . 2]" 1
1566 1 52 LYS HB3 1 53 SER H . . 4.930 4.132 3.489 4.660 . 0 0 "[ . 1 . 2]" 1
1567 1 53 SER H 1 53 SER HB2 . . 3.770 2.655 2.492 3.318 . 0 0 "[ . 1 . 2]" 1
1568 1 53 SER H 1 53 SER QB . . 3.120 2.517 2.196 2.624 . 0 0 "[ . 1 . 2]" 1
1569 1 53 SER H 1 53 SER HB3 . . 3.770 3.518 2.284 3.787 0.017 8 0 "[ . 1 . 2]" 1
1570 1 53 SER HA 1 54 ARG QB . . 5.150 4.380 4.058 4.568 . 0 0 "[ . 1 . 2]" 1
1571 1 53 SER HA 1 54 ARG QG . . 5.470 4.339 3.850 5.479 0.009 1 0 "[ . 1 . 2]" 1
1572 1 53 SER HA 1 55 TYR H . . 4.520 4.374 3.880 4.524 0.004 7 0 "[ . 1 . 2]" 1
1573 1 53 SER QB 1 55 TYR H . . 3.690 2.928 2.522 3.685 . 0 0 "[ . 1 . 2]" 1
1574 1 53 SER HB2 1 55 TYR H . . 4.200 4.021 3.608 4.202 0.002 8 0 "[ . 1 . 2]" 1
1575 1 53 SER HB3 1 55 TYR H . . 4.200 3.029 2.568 4.102 . 0 0 "[ . 1 . 2]" 1
1576 1 54 ARG H 1 55 TYR H . . 4.470 2.328 2.081 2.530 . 0 0 "[ . 1 . 2]" 1
1577 1 54 ARG HA 1 54 ARG HD2 . . 4.850 3.947 2.652 4.626 . 0 0 "[ . 1 . 2]" 1
1578 1 54 ARG HA 1 54 ARG QD . . 4.270 3.409 2.055 4.056 . 0 0 "[ . 1 . 2]" 1
1579 1 54 ARG HA 1 54 ARG HD3 . . 4.850 3.878 2.121 4.678 . 0 0 "[ . 1 . 2]" 1
1580 1 54 ARG HA 1 54 ARG QG . . 3.470 2.450 2.201 3.429 . 0 0 "[ . 1 . 2]" 1
1581 1 54 ARG HA 1 69 GLU H . . 4.730 4.418 3.643 4.726 . 0 0 "[ . 1 . 2]" 1
1582 1 54 ARG QB 1 54 ARG QD . . 3.210 2.197 2.025 2.548 . 0 0 "[ . 1 . 2]" 1
1583 1 54 ARG QB 1 55 TYR H . . 3.680 2.745 2.489 3.609 . 0 0 "[ . 1 . 2]" 1
1584 1 54 ARG QB 1 55 TYR QD . . 4.650 3.321 2.958 4.561 . 0 0 "[ . 1 . 2]" 1
1585 1 54 ARG QB 1 68 ILE MG . . 3.920 3.425 3.010 3.741 . 0 0 "[ . 1 . 2]" 1
1586 1 54 ARG QB 1 69 GLU H . . 4.190 3.912 3.507 4.189 . 0 0 "[ . 1 . 2]" 1
1587 1 54 ARG HB2 1 55 TYR H . . 4.280 2.919 2.539 4.075 . 0 0 "[ . 1 . 2]" 1
1588 1 54 ARG HB3 1 55 TYR H . . 4.280 3.501 2.656 4.179 . 0 0 "[ . 1 . 2]" 1
1589 1 54 ARG QG 1 69 GLU H . . 5.500 5.008 2.747 5.506 0.006 14 0 "[ . 1 . 2]" 1
1590 1 55 TYR H 1 55 TYR QB . . 2.960 2.505 2.378 2.592 . 0 0 "[ . 1 . 2]" 1
1591 1 55 TYR H 1 55 TYR QD . . 3.470 2.291 1.923 2.843 . 0 0 "[ . 1 . 2]" 1
1592 1 55 TYR H 1 56 ARG H . . 4.630 4.569 4.524 4.611 . 0 0 "[ . 1 . 2]" 1
1593 1 55 TYR H 1 66 LEU QD . . 5.440 5.353 5.236 5.441 0.001 12 0 "[ . 1 . 2]" 1
1594 1 55 TYR HA 1 55 TYR QD . . 3.530 2.947 2.617 3.136 . 0 0 "[ . 1 . 2]" 1
1595 1 55 TYR HA 1 55 TYR QE . . 5.180 4.723 4.554 4.814 . 0 0 "[ . 1 . 2]" 1
1596 1 55 TYR HA 1 56 ARG H . . 2.790 2.217 2.178 2.289 . 0 0 "[ . 1 . 2]" 1
1597 1 55 TYR HA 1 56 ARG HA . . 4.970 4.426 4.401 4.455 . 0 0 "[ . 1 . 2]" 1
1598 1 55 TYR HA 1 56 ARG QG . . 4.530 3.349 3.206 4.166 . 0 0 "[ . 1 . 2]" 1
1599 1 55 TYR HA 1 66 LEU MD1 . . 5.500 4.018 3.586 5.216 . 0 0 "[ . 1 . 2]" 1
1600 1 55 TYR HA 1 66 LEU QD . . 4.030 3.786 3.536 3.954 . 0 0 "[ . 1 . 2]" 1
1601 1 55 TYR HA 1 66 LEU MD2 . . 5.500 5.227 3.673 5.502 0.002 15 0 "[ . 1 . 2]" 1
1602 1 55 TYR HA 1 67 ILE MD . . 5.500 4.243 4.040 4.595 . 0 0 "[ . 1 . 2]" 1
1603 1 55 TYR HA 1 67 ILE MG . . 4.620 3.984 3.727 4.329 . 0 0 "[ . 1 . 2]" 1
1604 1 55 TYR HA 1 68 ILE HA . . 3.710 2.979 2.807 3.162 . 0 0 "[ . 1 . 2]" 1
1605 1 55 TYR HA 1 68 ILE HG12 . . 5.060 3.843 3.268 4.109 . 0 0 "[ . 1 . 2]" 1
1606 1 55 TYR HA 1 68 ILE MG . . 5.210 3.751 3.467 4.128 . 0 0 "[ . 1 . 2]" 1
1607 1 55 TYR HA 1 69 GLU H . . 4.410 3.868 3.614 4.170 . 0 0 "[ . 1 . 2]" 1
1608 1 55 TYR QB 1 56 ARG H . . 3.480 2.892 2.671 3.041 . 0 0 "[ . 1 . 2]" 1
1609 1 55 TYR QB 1 56 ARG HA . . 4.770 4.081 4.024 4.150 . 0 0 "[ . 1 . 2]" 1
1610 1 55 TYR QB 1 57 ILE MD . . 4.480 4.019 3.749 4.289 . 0 0 "[ . 1 . 2]" 1
1611 1 55 TYR QB 1 66 LEU MD1 . . 4.650 2.499 2.209 3.371 . 0 0 "[ . 1 . 2]" 1
1612 1 55 TYR QB 1 66 LEU QD . . 3.120 2.427 2.197 2.783 . 0 0 "[ . 1 . 2]" 1
1613 1 55 TYR QB 1 66 LEU MD2 . . 4.650 3.902 2.895 4.315 . 0 0 "[ . 1 . 2]" 1
1614 1 55 TYR QD 1 56 ARG H . . 4.430 4.141 3.845 4.349 . 0 0 "[ . 1 . 2]" 1
1615 1 55 TYR QD 1 66 LEU MD1 . . 4.070 3.102 2.857 3.466 . 0 0 "[ . 1 . 2]" 1
1616 1 55 TYR QD 1 66 LEU QD . . 3.240 2.772 2.221 3.018 . 0 0 "[ . 1 . 2]" 1
1617 1 55 TYR QD 1 66 LEU MD2 . . 4.070 3.236 2.250 3.641 . 0 0 "[ . 1 . 2]" 1
1618 1 55 TYR QD 1 66 LEU HG . . 4.930 3.633 3.244 4.294 . 0 0 "[ . 1 . 2]" 1
1619 1 55 TYR QD 1 68 ILE HA . . 4.210 3.709 3.479 3.992 . 0 0 "[ . 1 . 2]" 1
1620 1 55 TYR QD 1 68 ILE HB . . 5.090 4.966 4.833 5.087 . 0 0 "[ . 1 . 2]" 1
1621 1 55 TYR QD 1 68 ILE MD . . 3.790 3.252 2.387 3.565 . 0 0 "[ . 1 . 2]" 1
1622 1 55 TYR QD 1 68 ILE HG12 . . 3.500 2.150 1.998 2.338 . 0 0 "[ . 1 . 2]" 1
1623 1 55 TYR QD 1 68 ILE HG13 . . 4.080 3.730 3.435 4.002 . 0 0 "[ . 1 . 2]" 1
1624 1 55 TYR QE 1 66 LEU MD1 . . 4.910 4.812 4.622 4.911 0.001 16 0 "[ . 1 . 2]" 1
1625 1 55 TYR QE 1 66 LEU QD . . 4.160 3.893 3.599 4.144 . 0 0 "[ . 1 . 2]" 1
1626 1 55 TYR QE 1 66 LEU MD2 . . 4.910 4.120 3.747 4.465 . 0 0 "[ . 1 . 2]" 1
1627 1 55 TYR QE 1 68 ILE HA . . 5.070 4.795 4.472 5.076 0.006 18 0 "[ . 1 . 2]" 1
1628 1 55 TYR QE 1 68 ILE MD . . 3.490 2.649 2.151 3.135 . 0 0 "[ . 1 . 2]" 1
1629 1 55 TYR QE 1 68 ILE HG12 . . 4.160 2.971 2.377 3.368 . 0 0 "[ . 1 . 2]" 1
1630 1 55 TYR QE 1 68 ILE HG13 . . 4.890 4.536 3.885 4.872 . 0 0 "[ . 1 . 2]" 1
1631 1 55 TYR QE 1 68 ILE MG . . 3.520 2.547 2.231 2.913 . 0 0 "[ . 1 . 2]" 1
1632 1 56 ARG H 1 56 ARG HB2 . . 4.020 2.874 2.716 2.997 . 0 0 "[ . 1 . 2]" 1
1633 1 56 ARG H 1 56 ARG QB . . 3.350 2.801 2.660 2.899 . 0 0 "[ . 1 . 2]" 1
1634 1 56 ARG H 1 56 ARG HB3 . . 4.020 3.875 3.802 3.906 . 0 0 "[ . 1 . 2]" 1
1635 1 56 ARG H 1 56 ARG QG . . 3.310 2.768 2.437 3.321 0.011 14 0 "[ . 1 . 2]" 1
1636 1 56 ARG H 1 57 ILE H . . 4.330 4.028 3.935 4.283 . 0 0 "[ . 1 . 2]" 1
1637 1 56 ARG H 1 66 LEU HA . . 5.130 4.496 4.382 4.629 . 0 0 "[ . 1 . 2]" 1
1638 1 56 ARG H 1 66 LEU QD . . 3.790 3.122 2.849 3.455 . 0 0 "[ . 1 . 2]" 1
1639 1 56 ARG H 1 67 ILE H . . 3.600 3.498 3.365 3.603 0.003 12 0 "[ . 1 . 2]" 1
1640 1 56 ARG H 1 67 ILE MD . . 4.260 3.906 3.654 4.157 . 0 0 "[ . 1 . 2]" 1
1641 1 56 ARG H 1 67 ILE MG . . 4.830 2.645 2.363 2.901 . 0 0 "[ . 1 . 2]" 1
1642 1 56 ARG H 1 68 ILE HA . . 4.310 3.983 3.710 4.124 . 0 0 "[ . 1 . 2]" 1
1643 1 56 ARG H 1 68 ILE MG . . 5.500 5.215 4.932 5.450 . 0 0 "[ . 1 . 2]" 1
1644 1 56 ARG HA 1 56 ARG HD2 . . 5.170 4.865 3.703 5.046 . 0 0 "[ . 1 . 2]" 1
1645 1 56 ARG HA 1 56 ARG QD . . 4.390 4.214 3.558 4.360 . 0 0 "[ . 1 . 2]" 1
1646 1 56 ARG HA 1 56 ARG HD3 . . 5.170 4.654 4.547 5.072 . 0 0 "[ . 1 . 2]" 1
1647 1 56 ARG HA 1 56 ARG HG2 . . 3.950 2.990 2.850 3.580 . 0 0 "[ . 1 . 2]" 1
1648 1 56 ARG HA 1 56 ARG QG . . 3.320 2.624 2.444 2.723 . 0 0 "[ . 1 . 2]" 1
1649 1 56 ARG HA 1 56 ARG HG3 . . 3.950 2.940 2.488 3.456 . 0 0 "[ . 1 . 2]" 1
1650 1 56 ARG HA 1 57 ILE H . . 2.680 2.155 2.142 2.167 . 0 0 "[ . 1 . 2]" 1
1651 1 56 ARG HA 1 57 ILE HB . . 4.710 4.652 4.586 4.713 0.003 19 0 "[ . 1 . 2]" 1
1652 1 56 ARG HA 1 57 ILE MD . . 5.190 4.783 4.638 5.000 . 0 0 "[ . 1 . 2]" 1
1653 1 56 ARG HA 1 57 ILE HG13 . . 4.600 3.892 3.772 4.004 . 0 0 "[ . 1 . 2]" 1
1654 1 56 ARG HA 1 66 LEU QD . . 5.000 4.466 4.265 5.007 0.007 8 0 "[ . 1 . 2]" 1
1655 1 56 ARG QB 1 57 ILE H . . 3.670 3.483 3.262 3.552 . 0 0 "[ . 1 . 2]" 1
1656 1 56 ARG QB 1 67 ILE H . . 4.650 3.625 3.413 3.786 . 0 0 "[ . 1 . 2]" 1
1657 1 56 ARG QB 1 67 ILE MG . . 3.270 1.869 1.807 1.985 . 0 0 "[ . 1 . 2]" 1
1658 1 56 ARG HB2 1 57 ILE H . . 4.430 4.276 4.157 4.332 . 0 0 "[ . 1 . 2]" 1
1659 1 56 ARG HB2 1 67 ILE H . . 5.370 3.706 3.483 3.870 . 0 0 "[ . 1 . 2]" 1
1660 1 56 ARG HB2 1 67 ILE MG . . 4.140 1.881 1.819 1.999 . 0 0 "[ . 1 . 2]" 1
1661 1 56 ARG HB3 1 57 ILE H . . 4.430 3.691 3.401 3.794 . 0 0 "[ . 1 . 2]" 1
1662 1 56 ARG HB3 1 67 ILE H . . 5.370 5.135 4.847 5.376 0.006 2 0 "[ . 1 . 2]" 1
1663 1 56 ARG HB3 1 67 ILE MG . . 4.140 3.235 3.131 3.390 . 0 0 "[ . 1 . 2]" 1
1664 1 56 ARG QD 1 67 ILE MD . . 3.640 2.518 2.128 3.343 . 0 0 "[ . 1 . 2]" 1
1665 1 56 ARG QD 1 67 ILE MG . . 3.410 2.130 1.933 3.385 . 0 0 "[ . 1 . 2]" 1
1666 1 56 ARG QD 1 69 GLU HA . . 5.340 5.273 4.979 5.354 0.014 2 0 "[ . 1 . 2]" 1
1667 1 56 ARG HD2 1 67 ILE MG . . 3.930 3.307 2.336 3.883 . 0 0 "[ . 1 . 2]" 1
1668 1 56 ARG HD3 1 67 ILE MG . . 3.930 2.212 1.943 3.727 . 0 0 "[ . 1 . 2]" 1
1669 1 56 ARG HG2 1 57 ILE H . . 5.270 5.019 4.885 5.290 0.020 14 0 "[ . 1 . 2]" 1
1670 1 56 ARG HG3 1 57 ILE H . . 5.270 4.992 4.553 5.328 0.058 2 0 "[ . 1 . 2]" 1
1671 1 57 ILE H 1 57 ILE HB . . 2.950 2.517 2.466 2.565 . 0 0 "[ . 1 . 2]" 1
1672 1 57 ILE H 1 57 ILE MD . . 4.070 3.415 3.294 3.558 . 0 0 "[ . 1 . 2]" 1
1673 1 57 ILE H 1 57 ILE HG12 . . 4.150 3.844 3.707 4.056 . 0 0 "[ . 1 . 2]" 1
1674 1 57 ILE H 1 57 ILE HG13 . . 3.780 2.433 2.235 2.681 . 0 0 "[ . 1 . 2]" 1
1675 1 57 ILE H 1 57 ILE MG . . 4.000 3.788 3.771 3.818 . 0 0 "[ . 1 . 2]" 1
1676 1 57 ILE H 1 58 ARG H . . 4.700 4.383 4.211 4.566 . 0 0 "[ . 1 . 2]" 1
1677 1 57 ILE H 1 66 LEU QD . . 4.970 3.950 3.769 4.767 . 0 0 "[ . 1 . 2]" 1
1678 1 57 ILE H 1 67 ILE MG . . 5.050 4.816 4.659 4.927 . 0 0 "[ . 1 . 2]" 1
1679 1 57 ILE HA 1 58 ARG H . . 2.710 2.151 2.140 2.204 . 0 0 "[ . 1 . 2]" 1
1680 1 57 ILE HA 1 67 ILE H . . 3.980 3.820 3.386 3.932 . 0 0 "[ . 1 . 2]" 1
1681 1 57 ILE HB 1 57 ILE MD . . 3.090 2.194 2.102 2.388 . 0 0 "[ . 1 . 2]" 1
1682 1 57 ILE HB 1 58 ARG H . . 4.510 4.295 4.033 4.381 . 0 0 "[ . 1 . 2]" 1
1683 1 57 ILE MD 1 57 ILE MG . . 2.840 2.304 1.997 2.464 . 0 0 "[ . 1 . 2]" 1
1684 1 57 ILE MD 1 66 LEU HA . . 5.500 5.290 4.912 5.483 . 0 0 "[ . 1 . 2]" 1
1685 1 57 ILE MD 1 66 LEU QD . . 3.350 2.997 2.599 3.218 . 0 0 "[ . 1 . 2]" 1
1686 1 57 ILE HG12 1 57 ILE MG . . 3.190 2.218 2.046 2.313 . 0 0 "[ . 1 . 2]" 1
1687 1 57 ILE HG12 1 58 ARG H . . 4.880 4.650 4.248 4.830 . 0 0 "[ . 1 . 2]" 1
1688 1 57 ILE HG12 1 66 LEU HA . . 4.400 3.962 3.565 4.171 . 0 0 "[ . 1 . 2]" 1
1689 1 57 ILE HG12 1 66 LEU HB2 . . 5.500 3.639 3.058 3.946 . 0 0 "[ . 1 . 2]" 1
1690 1 57 ILE HG12 1 66 LEU QD . . 2.980 2.090 1.850 2.285 . 0 0 "[ . 1 . 2]" 1
1691 1 57 ILE HG13 1 57 ILE MG . . 3.490 3.161 3.131 3.191 . 0 0 "[ . 1 . 2]" 1
1692 1 57 ILE HG13 1 58 ARG H . . 4.980 4.868 4.714 4.979 . 0 0 "[ . 1 . 2]" 1
1693 1 57 ILE HG13 1 66 LEU HA . . 4.710 4.362 3.794 4.629 . 0 0 "[ . 1 . 2]" 1
1694 1 57 ILE HG13 1 66 LEU QD . . 3.360 2.513 2.154 3.106 . 0 0 "[ . 1 . 2]" 1
1695 1 57 ILE MG 1 58 ARG H . . 3.340 2.800 2.230 3.084 . 0 0 "[ . 1 . 2]" 1
1696 1 57 ILE MG 1 65 ILE H . . 4.440 3.818 3.430 4.091 . 0 0 "[ . 1 . 2]" 1
1697 1 57 ILE MG 1 66 LEU HA . . 4.370 3.966 3.719 4.120 . 0 0 "[ . 1 . 2]" 1
1698 1 57 ILE MG 1 66 LEU QD . . 3.860 3.364 3.227 3.599 . 0 0 "[ . 1 . 2]" 1
1699 1 57 ILE MG 1 67 ILE H . . 5.500 5.410 5.148 5.504 0.004 14 0 "[ . 1 . 2]" 1
1700 1 58 ARG H 1 58 ARG HB2 . . 3.770 3.134 2.975 3.329 . 0 0 "[ . 1 . 2]" 1
1701 1 58 ARG H 1 58 ARG HB3 . . 3.590 2.473 2.385 2.649 . 0 0 "[ . 1 . 2]" 1
1702 1 58 ARG H 1 58 ARG HG2 . . 4.330 4.256 4.175 4.340 0.010 9 0 "[ . 1 . 2]" 1
1703 1 58 ARG H 1 59 VAL H . . 4.720 4.483 4.360 4.546 . 0 0 "[ . 1 . 2]" 1
1704 1 58 ARG H 1 59 VAL QG . . 5.300 4.691 4.215 5.286 . 0 0 "[ . 1 . 2]" 1
1705 1 58 ARG H 1 65 ILE H . . 3.660 3.234 2.938 3.513 . 0 0 "[ . 1 . 2]" 1
1706 1 58 ARG H 1 65 ILE HB . . 4.440 3.980 3.701 4.302 . 0 0 "[ . 1 . 2]" 1
1707 1 58 ARG H 1 65 ILE MD . . 5.260 4.845 4.580 5.128 . 0 0 "[ . 1 . 2]" 1
1708 1 58 ARG H 1 65 ILE MG . . 4.750 4.424 4.034 4.674 . 0 0 "[ . 1 . 2]" 1
1709 1 58 ARG H 1 66 LEU HA . . 4.160 3.513 3.236 3.696 . 0 0 "[ . 1 . 2]" 1
1710 1 58 ARG H 1 66 LEU QD . . 5.210 4.422 4.135 5.078 . 0 0 "[ . 1 . 2]" 1
1711 1 58 ARG H 1 67 ILE MG . . 4.800 4.472 4.058 4.762 . 0 0 "[ . 1 . 2]" 1
1712 1 58 ARG HA 1 59 VAL H . . 2.660 2.240 2.177 2.342 . 0 0 "[ . 1 . 2]" 1
1713 1 58 ARG HB2 1 58 ARG QD . . 3.480 2.840 2.442 3.116 . 0 0 "[ . 1 . 2]" 1
1714 1 58 ARG HB2 1 59 VAL H . . 3.990 3.911 3.805 3.995 0.005 2 0 "[ . 1 . 2]" 1
1715 1 58 ARG HB2 1 65 ILE H . . 5.500 5.287 4.969 5.454 . 0 0 "[ . 1 . 2]" 1
1716 1 58 ARG HB3 1 58 ARG QD . . 3.620 2.346 2.139 2.733 . 0 0 "[ . 1 . 2]" 1
1717 1 58 ARG HB3 1 59 VAL H . . 4.240 4.054 3.784 4.243 0.003 18 0 "[ . 1 . 2]" 1
1718 1 58 ARG HB3 1 65 ILE MD . . 4.710 3.827 3.439 4.095 . 0 0 "[ . 1 . 2]" 1
1719 1 58 ARG HB3 1 65 ILE MG . . 4.280 3.785 3.460 4.128 . 0 0 "[ . 1 . 2]" 1
1720 1 58 ARG HB3 1 66 LEU HA . . 5.430 5.099 4.827 5.296 . 0 0 "[ . 1 . 2]" 1
1721 1 58 ARG HB3 1 67 ILE MG . . 4.790 4.463 4.169 4.730 . 0 0 "[ . 1 . 2]" 1
1722 1 58 ARG QD 1 65 ILE MD . . 3.820 3.230 2.523 3.822 0.002 3 0 "[ . 1 . 2]" 1
1723 1 58 ARG QD 1 65 ILE MG . . 4.730 3.820 3.301 4.378 . 0 0 "[ . 1 . 2]" 1
1724 1 58 ARG HD2 1 65 ILE MD . . 4.630 3.565 2.594 4.633 0.003 13 0 "[ . 1 . 2]" 1
1725 1 58 ARG HD3 1 65 ILE MD . . 4.630 3.893 2.893 4.631 0.001 11 0 "[ . 1 . 2]" 1
1726 1 58 ARG HG2 1 59 VAL H . . 3.940 2.630 2.214 3.388 . 0 0 "[ . 1 . 2]" 1
1727 1 58 ARG HG2 1 59 VAL HA . . 4.740 3.674 3.553 4.011 . 0 0 "[ . 1 . 2]" 1
1728 1 58 ARG HG2 1 59 VAL QG . . 5.070 4.167 3.746 4.631 . 0 0 "[ . 1 . 2]" 1
1729 1 58 ARG HG2 1 60 GLU H . . 4.900 4.012 3.534 4.323 . 0 0 "[ . 1 . 2]" 1
1730 1 58 ARG HG2 1 60 GLU HG2 . . 4.790 3.479 2.517 4.788 . 0 0 "[ . 1 . 2]" 1
1731 1 58 ARG HG2 1 60 GLU HG3 . . 4.790 3.589 2.470 4.768 . 0 0 "[ . 1 . 2]" 1
1732 1 58 ARG HG3 1 59 VAL H . . 3.770 2.712 2.212 3.153 . 0 0 "[ . 1 . 2]" 1
1733 1 59 VAL H 1 59 VAL HB . . 3.290 2.751 2.508 3.107 . 0 0 "[ . 1 . 2]" 1
1734 1 59 VAL H 1 59 VAL MG1 . . 3.840 3.266 1.901 3.861 0.021 9 0 "[ . 1 . 2]" 1
1735 1 59 VAL H 1 59 VAL QG . . 3.080 2.510 1.896 2.879 . 0 0 "[ . 1 . 2]" 1
1736 1 59 VAL H 1 59 VAL MG2 . . 3.840 3.129 2.606 3.850 0.010 11 0 "[ . 1 . 2]" 1
1737 1 59 VAL H 1 60 GLU H . . 4.530 4.302 4.116 4.431 . 0 0 "[ . 1 . 2]" 1
1738 1 59 VAL HA 1 59 VAL MG1 . . 3.220 2.671 2.376 3.202 . 0 0 "[ . 1 . 2]" 1
1739 1 59 VAL HA 1 59 VAL QG . . 2.740 2.174 2.037 2.387 . 0 0 "[ . 1 . 2]" 1
1740 1 59 VAL HA 1 59 VAL MG2 . . 3.220 2.325 2.207 2.464 . 0 0 "[ . 1 . 2]" 1
1741 1 59 VAL HA 1 60 GLU H . . 2.800 2.147 2.141 2.170 . 0 0 "[ . 1 . 2]" 1
1742 1 59 VAL HA 1 60 GLU QB . . 4.580 4.169 4.091 4.268 . 0 0 "[ . 1 . 2]" 1
1743 1 59 VAL HA 1 64 HIS HA . . 3.350 2.579 2.221 3.038 . 0 0 "[ . 1 . 2]" 1
1744 1 59 VAL HA 1 65 ILE H . . 4.340 3.765 3.404 4.073 . 0 0 "[ . 1 . 2]" 1
1745 1 59 VAL HA 1 65 ILE MD . . 4.660 3.877 3.554 4.358 . 0 0 "[ . 1 . 2]" 1
1746 1 59 VAL HB 1 60 GLU H . . 4.620 4.267 4.093 4.443 . 0 0 "[ . 1 . 2]" 1
1747 1 59 VAL HB 1 64 HIS HE1 . . 5.490 4.538 2.821 5.468 . 0 0 "[ . 1 . 2]" 1
1748 1 59 VAL QG 1 60 GLU H . . 3.060 2.649 2.435 2.899 . 0 0 "[ . 1 . 2]" 1
1749 1 59 VAL QG 1 60 GLU HA . . 4.080 3.437 3.196 3.780 . 0 0 "[ . 1 . 2]" 1
1750 1 59 VAL QG 1 61 GLY H . . 3.850 3.422 3.198 3.684 . 0 0 "[ . 1 . 2]" 1
1751 1 59 VAL QG 1 61 GLY HA2 . . 4.730 4.467 4.224 4.690 . 0 0 "[ . 1 . 2]" 1
1752 1 59 VAL QG 1 61 GLY HA3 . . 5.160 4.953 4.778 5.168 0.008 13 0 "[ . 1 . 2]" 1
1753 1 59 VAL QG 1 64 HIS HD2 . . 4.720 3.610 3.025 4.132 . 0 0 "[ . 1 . 2]" 1
1754 1 59 VAL QG 1 64 HIS HE1 . . 3.320 2.557 1.940 3.197 . 0 0 "[ . 1 . 2]" 1
1755 1 59 VAL QG 1 65 ILE H . . 5.440 4.465 4.054 4.939 . 0 0 "[ . 1 . 2]" 1
1756 1 59 VAL MG1 1 60 GLU H . . 4.060 3.119 2.592 4.062 0.002 11 0 "[ . 1 . 2]" 1
1757 1 59 VAL MG1 1 64 HIS HE1 . . 4.210 3.545 3.093 4.205 . 0 0 "[ . 1 . 2]" 1
1758 1 59 VAL MG2 1 60 GLU H . . 4.060 3.619 2.457 4.082 0.022 10 0 "[ . 1 . 2]" 1
1759 1 59 VAL MG2 1 64 HIS HE1 . . 4.210 2.630 1.960 3.314 . 0 0 "[ . 1 . 2]" 1
1760 1 60 GLU H 1 60 GLU HB2 . . 3.780 2.520 2.434 2.618 . 0 0 "[ . 1 . 2]" 1
1761 1 60 GLU H 1 60 GLU HB3 . . 3.780 3.561 2.871 3.745 . 0 0 "[ . 1 . 2]" 1
1762 1 60 GLU H 1 60 GLU QG . . 3.980 3.538 3.297 4.049 0.069 18 0 "[ . 1 . 2]" 1
1763 1 60 GLU H 1 63 LYS H . . 4.070 3.657 3.406 3.901 . 0 0 "[ . 1 . 2]" 1
1764 1 60 GLU H 1 64 HIS HA . . 4.150 2.911 2.444 3.125 . 0 0 "[ . 1 . 2]" 1
1765 1 60 GLU H 1 65 ILE MD . . 3.950 3.223 2.748 3.591 . 0 0 "[ . 1 . 2]" 1
1766 1 60 GLU HA 1 60 GLU HG2 . . 3.760 2.510 2.167 3.611 . 0 0 "[ . 1 . 2]" 1
1767 1 60 GLU HA 1 60 GLU QG . . 3.290 2.392 2.129 2.806 . 0 0 "[ . 1 . 2]" 1
1768 1 60 GLU HA 1 60 GLU HG3 . . 3.760 3.351 2.388 3.667 . 0 0 "[ . 1 . 2]" 1
1769 1 60 GLU HA 1 61 GLY H . . 2.890 2.173 2.145 2.204 . 0 0 "[ . 1 . 2]" 1
1770 1 60 GLU HA 1 61 GLY HA2 . . 4.470 4.396 4.384 4.416 . 0 0 "[ . 1 . 2]" 1
1771 1 60 GLU HA 1 61 GLY HA3 . . 4.490 4.348 4.329 4.372 . 0 0 "[ . 1 . 2]" 1
1772 1 60 GLU QB 1 61 GLY H . . 4.010 3.652 3.487 3.935 . 0 0 "[ . 1 . 2]" 1
1773 1 60 GLU QB 1 63 LYS H . . 4.630 3.960 3.586 4.121 . 0 0 "[ . 1 . 2]" 1
1774 1 60 GLU QB 1 65 ILE H . . 5.340 5.169 4.772 5.340 . 0 0 "[ . 1 . 2]" 1
1775 1 60 GLU QB 1 65 ILE MD . . 3.030 2.383 2.095 2.574 . 0 0 "[ . 1 . 2]" 1
1776 1 60 GLU HB2 1 61 GLY H . . 4.810 4.557 4.488 4.626 . 0 0 "[ . 1 . 2]" 1
1777 1 60 GLU HB2 1 63 LYS H . . 5.290 4.468 4.164 5.130 . 0 0 "[ . 1 . 2]" 1
1778 1 60 GLU HB3 1 61 GLY H . . 4.810 3.848 3.634 4.260 . 0 0 "[ . 1 . 2]" 1
1779 1 60 GLU HB3 1 63 LYS H . . 5.290 4.499 3.674 4.798 . 0 0 "[ . 1 . 2]" 1
1780 1 60 GLU QG 1 61 GLY H . . 4.710 4.241 3.613 4.680 . 0 0 "[ . 1 . 2]" 1
1781 1 60 GLU QG 1 65 ILE MD . . 3.680 3.014 2.725 3.372 . 0 0 "[ . 1 . 2]" 1
1782 1 60 GLU HG2 1 61 GLY H . . 5.500 4.527 3.692 5.501 0.001 9 0 "[ . 1 . 2]" 1
1783 1 60 GLU HG2 1 65 ILE MD . . 4.380 3.903 3.035 4.374 . 0 0 "[ . 1 . 2]" 1
1784 1 60 GLU HG3 1 61 GLY H . . 5.500 5.306 4.227 5.505 0.005 7 0 "[ . 1 . 2]" 1
1785 1 60 GLU HG3 1 65 ILE MD . . 4.380 3.235 2.760 4.164 . 0 0 "[ . 1 . 2]" 1
1786 1 61 GLY H 1 61 GLY HA2 . . 2.950 2.296 2.295 2.301 . 0 0 "[ . 1 . 2]" 1
1787 1 61 GLY HA2 1 62 LYS HG3 . . 4.750 3.960 3.809 4.491 . 0 0 "[ . 1 . 2]" 1
1788 1 61 GLY HA2 1 63 LYS H . . 4.630 4.562 4.425 4.626 . 0 0 "[ . 1 . 2]" 1
1789 1 61 GLY HA3 1 62 LYS H . . 2.840 2.155 2.135 2.174 . 0 0 "[ . 1 . 2]" 1
1790 1 61 GLY HA3 1 62 LYS HB2 . . 5.500 4.692 4.537 4.954 . 0 0 "[ . 1 . 2]" 1
1791 1 61 GLY HA3 1 62 LYS HG2 . . 5.500 4.864 3.862 5.283 . 0 0 "[ . 1 . 2]" 1
1792 1 61 GLY HA3 1 62 LYS HG3 . . 4.350 3.622 3.446 3.861 . 0 0 "[ . 1 . 2]" 1
1793 1 61 GLY HA3 1 63 LYS H . . 3.920 3.605 3.430 3.742 . 0 0 "[ . 1 . 2]" 1
1794 1 62 LYS H 1 62 LYS HB2 . . 4.070 2.684 2.535 2.914 . 0 0 "[ . 1 . 2]" 1
1795 1 62 LYS H 1 62 LYS HB3 . . 3.770 3.757 3.707 3.799 0.029 7 0 "[ . 1 . 2]" 1
1796 1 62 LYS H 1 62 LYS HD2 . . 4.850 4.767 4.690 4.837 . 0 0 "[ . 1 . 2]" 1
1797 1 62 LYS H 1 62 LYS HD3 . . 4.850 4.335 4.151 4.678 . 0 0 "[ . 1 . 2]" 1
1798 1 62 LYS H 1 62 LYS HG2 . . 4.270 3.753 2.986 4.036 . 0 0 "[ . 1 . 2]" 1
1799 1 62 LYS H 1 62 LYS HG3 . . 3.370 2.617 2.310 2.845 . 0 0 "[ . 1 . 2]" 1
1800 1 62 LYS H 1 63 LYS H . . 2.920 2.354 2.210 2.473 . 0 0 "[ . 1 . 2]" 1
1801 1 62 LYS H 1 63 LYS HB3 . . 4.320 3.900 3.788 4.097 . 0 0 "[ . 1 . 2]" 1
1802 1 62 LYS HA 1 62 LYS HD2 . . 5.210 4.953 4.878 5.010 . 0 0 "[ . 1 . 2]" 1
1803 1 62 LYS HA 1 62 LYS QD . . 4.370 4.248 4.190 4.321 . 0 0 "[ . 1 . 2]" 1
1804 1 62 LYS HA 1 62 LYS HD3 . . 5.210 4.624 4.561 4.805 . 0 0 "[ . 1 . 2]" 1
1805 1 62 LYS HA 1 62 LYS QE . . 4.730 4.005 3.475 4.179 . 0 0 "[ . 1 . 2]" 1
1806 1 62 LYS HA 1 62 LYS HG2 . . 3.330 2.695 2.625 2.780 . 0 0 "[ . 1 . 2]" 1
1807 1 62 LYS HA 1 62 LYS HG3 . . 3.860 3.169 2.971 3.638 . 0 0 "[ . 1 . 2]" 1
1808 1 62 LYS HA 1 64 HIS HD2 . . 4.780 4.694 4.526 4.785 0.005 20 0 "[ . 1 . 2]" 1
1809 1 62 LYS HB2 1 62 LYS HD2 . . 3.910 3.555 3.469 3.829 . 0 0 "[ . 1 . 2]" 1
1810 1 62 LYS HB2 1 62 LYS QD . . 3.360 2.305 2.199 2.666 . 0 0 "[ . 1 . 2]" 1
1811 1 62 LYS HB2 1 62 LYS HD3 . . 3.910 2.335 2.224 2.720 . 0 0 "[ . 1 . 2]" 1
1812 1 62 LYS HB2 1 63 LYS H . . 4.410 3.882 3.708 3.995 . 0 0 "[ . 1 . 2]" 1
1813 1 62 LYS HB3 1 62 LYS HE2 . . 3.600 2.572 2.139 3.519 . 0 0 "[ . 1 . 2]" 1
1814 1 62 LYS HB3 1 62 LYS HE3 . . 3.600 3.110 2.308 3.527 . 0 0 "[ . 1 . 2]" 1
1815 1 62 LYS HB3 1 63 LYS H . . 4.620 4.468 4.378 4.541 . 0 0 "[ . 1 . 2]" 1
1816 1 62 LYS HE2 1 62 LYS HG2 . . 3.750 3.004 2.374 3.593 . 0 0 "[ . 1 . 2]" 1
1817 1 62 LYS HE3 1 62 LYS HG2 . . 3.750 2.366 2.123 3.548 . 0 0 "[ . 1 . 2]" 1
1818 1 62 LYS HG2 1 63 LYS H . . 5.320 5.201 4.713 5.337 0.017 9 0 "[ . 1 . 2]" 1
1819 1 63 LYS H 1 63 LYS HB2 . . 3.930 3.874 3.832 3.903 . 0 0 "[ . 1 . 2]" 1
1820 1 63 LYS H 1 63 LYS HB3 . . 3.250 2.934 2.815 3.029 . 0 0 "[ . 1 . 2]" 1
1821 1 63 LYS H 1 63 LYS HD2 . . 5.310 4.500 1.988 5.133 . 0 0 "[ . 1 . 2]" 1
1822 1 63 LYS H 1 63 LYS QD . . 4.680 4.037 1.970 4.597 . 0 0 "[ . 1 . 2]" 1
1823 1 63 LYS H 1 63 LYS HD3 . . 5.310 4.689 3.226 5.189 . 0 0 "[ . 1 . 2]" 1
1824 1 63 LYS H 1 63 LYS QG . . 3.300 2.640 2.541 3.020 . 0 0 "[ . 1 . 2]" 1
1825 1 63 LYS H 1 64 HIS H . . 4.530 4.366 4.310 4.435 . 0 0 "[ . 1 . 2]" 1
1826 1 63 LYS H 1 65 ILE MD . . 4.870 4.647 4.471 4.770 . 0 0 "[ . 1 . 2]" 1
1827 1 63 LYS HA 1 63 LYS QE . . 5.340 4.507 4.285 4.814 . 0 0 "[ . 1 . 2]" 1
1828 1 63 LYS HA 1 63 LYS HG2 . . 4.040 3.686 3.553 3.914 . 0 0 "[ . 1 . 2]" 1
1829 1 63 LYS HA 1 63 LYS QG . . 3.430 3.299 3.276 3.370 . 0 0 "[ . 1 . 2]" 1
1830 1 63 LYS HA 1 63 LYS HG3 . . 4.040 3.750 3.573 4.172 0.132 19 0 "[ . 1 . 2]" 1
1831 1 63 LYS HA 1 64 HIS H . . 2.730 2.204 2.170 2.253 . 0 0 "[ . 1 . 2]" 1
1832 1 63 LYS HA 1 64 HIS HB2 . . 4.610 4.477 4.403 4.604 . 0 0 "[ . 1 . 2]" 1
1833 1 63 LYS HA 1 64 HIS HD2 . . 4.200 3.114 2.758 3.379 . 0 0 "[ . 1 . 2]" 1
1834 1 63 LYS HB2 1 63 LYS HE2 . . 4.710 3.702 2.573 4.047 . 0 0 "[ . 1 . 2]" 1
1835 1 63 LYS HB2 1 63 LYS HE3 . . 4.710 3.773 2.685 4.706 . 0 0 "[ . 1 . 2]" 1
1836 1 63 LYS HB2 1 64 HIS H . . 4.030 3.116 2.904 3.258 . 0 0 "[ . 1 . 2]" 1
1837 1 63 LYS HB3 1 63 LYS HE2 . . 3.890 2.950 2.073 3.894 0.004 7 0 "[ . 1 . 2]" 1
1838 1 63 LYS HB3 1 63 LYS HE3 . . 3.890 3.007 2.015 3.766 . 0 0 "[ . 1 . 2]" 1
1839 1 63 LYS HB3 1 64 HIS H . . 4.330 4.258 4.129 4.339 0.009 10 0 "[ . 1 . 2]" 1
1840 1 63 LYS QD 1 65 ILE MD . . 3.310 2.933 2.352 3.333 0.023 19 0 "[ . 1 . 2]" 1
1841 1 63 LYS QE 1 63 LYS QG . . 3.250 2.264 2.072 2.610 . 0 0 "[ . 1 . 2]" 1
1842 1 63 LYS QE 1 65 ILE MD . . 4.400 3.913 2.959 4.341 . 0 0 "[ . 1 . 2]" 1
1843 1 63 LYS HE2 1 65 ILE MD . . 5.280 4.587 3.015 5.151 . 0 0 "[ . 1 . 2]" 1
1844 1 63 LYS HE3 1 65 ILE MD . . 5.280 4.412 3.609 4.995 . 0 0 "[ . 1 . 2]" 1
1845 1 63 LYS QG 1 64 HIS H . . 3.970 3.562 3.453 3.687 . 0 0 "[ . 1 . 2]" 1
1846 1 63 LYS QG 1 65 ILE MD . . 3.900 2.017 1.918 2.203 . 0 0 "[ . 1 . 2]" 1
1847 1 63 LYS HG2 1 65 ILE MD . . 4.630 2.876 2.185 3.500 . 0 0 "[ . 1 . 2]" 1
1848 1 63 LYS HG3 1 65 ILE MD . . 4.630 2.100 1.967 2.581 . 0 0 "[ . 1 . 2]" 1
1849 1 64 HIS H 1 64 HIS HB2 . . 3.420 2.450 2.360 2.536 . 0 0 "[ . 1 . 2]" 1
1850 1 64 HIS H 1 64 HIS HB3 . . 3.830 3.662 3.609 3.716 . 0 0 "[ . 1 . 2]" 1
1851 1 64 HIS H 1 64 HIS HD2 . . 3.760 2.724 2.394 2.888 . 0 0 "[ . 1 . 2]" 1
1852 1 64 HIS H 1 65 ILE MD . . 4.960 3.807 3.491 3.965 . 0 0 "[ . 1 . 2]" 1
1853 1 64 HIS HA 1 65 ILE H . . 2.840 2.365 2.286 2.430 . 0 0 "[ . 1 . 2]" 1
1854 1 64 HIS HA 1 65 ILE HA . . 4.790 4.479 4.436 4.515 . 0 0 "[ . 1 . 2]" 1
1855 1 64 HIS HA 1 65 ILE HB . . 4.440 4.452 4.437 4.479 0.039 4 0 "[ . 1 . 2]" 1
1856 1 64 HIS HA 1 65 ILE MD . . 3.930 2.630 2.539 2.807 . 0 0 "[ . 1 . 2]" 1
1857 1 64 HIS HB2 1 65 ILE H . . 4.650 3.770 3.581 3.929 . 0 0 "[ . 1 . 2]" 1
1858 1 64 HIS HB3 1 65 ILE H . . 4.220 2.530 2.370 2.737 . 0 0 "[ . 1 . 2]" 1
1859 1 65 ILE H 1 65 ILE HB . . 3.380 2.817 2.701 2.902 . 0 0 "[ . 1 . 2]" 1
1860 1 65 ILE H 1 65 ILE MD . . 3.660 2.710 2.586 2.906 . 0 0 "[ . 1 . 2]" 1
1861 1 65 ILE H 1 65 ILE HG12 . . 4.880 4.651 4.588 4.693 . 0 0 "[ . 1 . 2]" 1
1862 1 65 ILE H 1 65 ILE HG13 . . 3.950 3.795 3.757 3.860 . 0 0 "[ . 1 . 2]" 1
1863 1 65 ILE H 1 65 ILE MG . . 4.150 3.889 3.840 3.924 . 0 0 "[ . 1 . 2]" 1
1864 1 65 ILE H 1 66 LEU HA . . 5.500 4.571 4.512 4.724 . 0 0 "[ . 1 . 2]" 1
1865 1 65 ILE HA 1 65 ILE MD . . 4.160 3.311 3.249 3.357 . 0 0 "[ . 1 . 2]" 1
1866 1 65 ILE HA 1 65 ILE HG12 . . 3.730 3.495 3.476 3.557 . 0 0 "[ . 1 . 2]" 1
1867 1 65 ILE HA 1 65 ILE HG13 . . 3.500 2.299 2.266 2.345 . 0 0 "[ . 1 . 2]" 1
1868 1 65 ILE HA 1 65 ILE MG . . 3.050 2.433 2.352 2.478 . 0 0 "[ . 1 . 2]" 1
1869 1 65 ILE HA 1 66 LEU H . . 2.750 2.148 2.140 2.158 . 0 0 "[ . 1 . 2]" 1
1870 1 65 ILE HA 1 66 LEU HA . . 5.010 4.404 4.390 4.415 . 0 0 "[ . 1 . 2]" 1
1871 1 65 ILE HA 1 66 LEU HB2 . . 4.860 4.631 4.505 4.752 . 0 0 "[ . 1 . 2]" 1
1872 1 65 ILE HA 1 66 LEU HB3 . . 5.160 4.579 4.506 4.699 . 0 0 "[ . 1 . 2]" 1
1873 1 65 ILE HB 1 65 ILE MD . . 3.380 2.211 2.080 2.283 . 0 0 "[ . 1 . 2]" 1
1874 1 65 ILE HB 1 66 LEU H . . 5.110 4.367 4.295 4.411 . 0 0 "[ . 1 . 2]" 1
1875 1 65 ILE HG12 1 65 ILE MG . . 3.130 2.148 2.001 2.238 . 0 0 "[ . 1 . 2]" 1
1876 1 65 ILE HG12 1 66 LEU H . . 5.500 5.330 5.136 5.430 . 0 0 "[ . 1 . 2]" 1
1877 1 65 ILE HG13 1 66 LEU H . . 4.510 4.385 4.261 4.437 . 0 0 "[ . 1 . 2]" 1
1878 1 65 ILE MG 1 66 LEU H . . 3.270 2.928 2.748 3.099 . 0 0 "[ . 1 . 2]" 1
1879 1 65 ILE MG 1 66 LEU HA . . 4.620 3.812 3.667 3.964 . 0 0 "[ . 1 . 2]" 1
1880 1 65 ILE MG 1 67 ILE H . . 3.810 3.590 3.297 3.765 . 0 0 "[ . 1 . 2]" 1
1881 1 65 ILE MG 1 67 ILE HB . . 3.620 3.197 2.990 3.365 . 0 0 "[ . 1 . 2]" 1
1882 1 66 LEU H 1 66 LEU HB2 . . 3.720 2.823 2.685 2.944 . 0 0 "[ . 1 . 2]" 1
1883 1 66 LEU H 1 66 LEU HB3 . . 3.150 2.462 2.378 2.570 . 0 0 "[ . 1 . 2]" 1
1884 1 66 LEU H 1 66 LEU MD1 . . 4.730 4.295 4.232 4.376 . 0 0 "[ . 1 . 2]" 1
1885 1 66 LEU H 1 66 LEU QD . . 4.110 3.796 3.718 3.843 . 0 0 "[ . 1 . 2]" 1
1886 1 66 LEU H 1 66 LEU MD2 . . 4.730 4.232 4.033 4.290 . 0 0 "[ . 1 . 2]" 1
1887 1 66 LEU H 1 67 ILE H . . 4.700 4.240 4.128 4.333 . 0 0 "[ . 1 . 2]" 1
1888 1 66 LEU HA 1 66 LEU MD1 . . 4.050 2.375 2.035 3.654 . 0 0 "[ . 1 . 2]" 1
1889 1 66 LEU HA 1 66 LEU QD . . 3.000 2.300 2.028 3.025 0.025 13 0 "[ . 1 . 2]" 1
1890 1 66 LEU HA 1 66 LEU MD2 . . 4.050 3.862 3.210 3.954 . 0 0 "[ . 1 . 2]" 1
1891 1 66 LEU HA 1 66 LEU HG . . 3.600 2.999 2.444 3.166 . 0 0 "[ . 1 . 2]" 1
1892 1 66 LEU HA 1 67 ILE H . . 2.840 2.165 2.144 2.195 . 0 0 "[ . 1 . 2]" 1
1893 1 66 LEU HA 1 67 ILE HB . . 4.750 4.708 4.620 4.765 0.015 16 0 "[ . 1 . 2]" 1
1894 1 66 LEU HA 1 67 ILE MG . . 4.570 3.839 3.736 3.987 . 0 0 "[ . 1 . 2]" 1
1895 1 66 LEU HB2 1 66 LEU MD1 . . 3.410 2.259 2.116 2.361 . 0 0 "[ . 1 . 2]" 1
1896 1 66 LEU HB2 1 66 LEU QD . . 2.980 2.116 2.022 2.199 . 0 0 "[ . 1 . 2]" 1
1897 1 66 LEU HB2 1 66 LEU MD2 . . 3.410 2.584 2.473 3.148 . 0 0 "[ . 1 . 2]" 1
1898 1 66 LEU HB2 1 67 ILE H . . 4.590 4.422 4.369 4.494 . 0 0 "[ . 1 . 2]" 1
1899 1 66 LEU HB3 1 67 ILE H . . 5.140 4.402 4.279 4.457 . 0 0 "[ . 1 . 2]" 1
1900 1 66 LEU QD 1 67 ILE H . . 3.390 3.152 2.970 3.393 0.003 18 0 "[ . 1 . 2]" 1
1901 1 66 LEU QD 1 68 ILE HG12 . . 4.070 3.205 2.411 3.462 . 0 0 "[ . 1 . 2]" 1
1902 1 66 LEU QD 1 68 ILE HG13 . . 3.740 3.440 2.112 3.745 0.005 20 0 "[ . 1 . 2]" 1
1903 1 66 LEU QD 1 79 TYR HB3 . . 4.600 3.237 3.001 3.857 . 0 0 "[ . 1 . 2]" 1
1904 1 66 LEU QD 1 79 TYR QD . . 3.420 2.599 2.269 3.108 . 0 0 "[ . 1 . 2]" 1
1905 1 66 LEU QD 1 79 TYR QE . . 4.090 3.189 2.619 3.700 . 0 0 "[ . 1 . 2]" 1
1906 1 66 LEU MD1 1 68 ILE HG12 . . 4.790 3.993 3.621 4.411 . 0 0 "[ . 1 . 2]" 1
1907 1 66 LEU MD1 1 68 ILE HG13 . . 4.580 4.412 3.932 4.581 0.001 8 0 "[ . 1 . 2]" 1
1908 1 66 LEU MD1 1 79 TYR QE . . 5.500 4.680 3.991 5.475 . 0 0 "[ . 1 . 2]" 1
1909 1 66 LEU MD2 1 68 ILE HG12 . . 4.790 3.425 2.422 3.719 . 0 0 "[ . 1 . 2]" 1
1910 1 66 LEU MD2 1 68 ILE HG13 . . 4.580 3.642 2.115 4.029 . 0 0 "[ . 1 . 2]" 1
1911 1 66 LEU MD2 1 79 TYR QE . . 5.500 3.257 2.640 3.762 . 0 0 "[ . 1 . 2]" 1
1912 1 66 LEU HG 1 67 ILE H . . 4.000 3.586 3.365 3.820 . 0 0 "[ . 1 . 2]" 1
1913 1 66 LEU HG 1 68 ILE HG13 . . 4.550 3.280 2.702 4.559 0.009 13 0 "[ . 1 . 2]" 1
1914 1 67 ILE H 1 67 ILE HB . . 3.220 2.816 2.653 2.958 . 0 0 "[ . 1 . 2]" 1
1915 1 67 ILE H 1 67 ILE MD . . 4.240 4.005 3.859 4.198 . 0 0 "[ . 1 . 2]" 1
1916 1 67 ILE H 1 67 ILE HG12 . . 4.600 4.503 4.448 4.539 . 0 0 "[ . 1 . 2]" 1
1917 1 67 ILE H 1 67 ILE HG13 . . 5.040 4.781 4.731 4.825 . 0 0 "[ . 1 . 2]" 1
1918 1 67 ILE H 1 67 ILE MG . . 3.870 2.116 1.972 2.248 . 0 0 "[ . 1 . 2]" 1
1919 1 67 ILE HA 1 67 ILE MD . . 3.380 3.252 3.056 3.365 . 0 0 "[ . 1 . 2]" 1
1920 1 67 ILE HA 1 67 ILE HG12 . . 3.790 2.347 2.230 2.420 . 0 0 "[ . 1 . 2]" 1
1921 1 67 ILE HA 1 68 ILE H . . 2.920 2.211 2.158 2.270 . 0 0 "[ . 1 . 2]" 1
1922 1 67 ILE HB 1 67 ILE MD . . 3.260 3.188 3.172 3.204 . 0 0 "[ . 1 . 2]" 1
1923 1 67 ILE MD 1 68 ILE H . . 3.210 2.472 1.917 2.852 . 0 0 "[ . 1 . 2]" 1
1924 1 67 ILE MD 1 68 ILE HA . . 3.990 2.863 2.758 3.006 . 0 0 "[ . 1 . 2]" 1
1925 1 67 ILE MD 1 69 GLU H . . 4.020 2.599 2.416 2.907 . 0 0 "[ . 1 . 2]" 1
1926 1 67 ILE MD 1 69 GLU HA . . 4.160 2.781 2.665 2.990 . 0 0 "[ . 1 . 2]" 1
1927 1 67 ILE MD 1 69 GLU HB2 . . 4.020 3.546 3.322 3.808 . 0 0 "[ . 1 . 2]" 1
1928 1 67 ILE MD 1 69 GLU HB3 . . 4.910 4.236 4.122 4.413 . 0 0 "[ . 1 . 2]" 1
1929 1 67 ILE MD 1 69 GLU HG2 . . 3.730 3.104 2.121 3.509 . 0 0 "[ . 1 . 2]" 1
1930 1 67 ILE MD 1 69 GLU QG . . 3.260 2.029 1.903 2.293 . 0 0 "[ . 1 . 2]" 1
1931 1 67 ILE MD 1 69 GLU HG3 . . 3.730 2.194 1.918 3.569 . 0 0 "[ . 1 . 2]" 1
1932 1 67 ILE HG12 1 67 ILE MG . . 3.340 3.167 3.152 3.189 . 0 0 "[ . 1 . 2]" 1
1933 1 67 ILE HG12 1 68 ILE H . . 4.590 2.356 2.209 2.681 . 0 0 "[ . 1 . 2]" 1
1934 1 67 ILE HG13 1 67 ILE MG . . 3.010 2.523 2.426 2.624 . 0 0 "[ . 1 . 2]" 1
1935 1 67 ILE HG13 1 68 ILE H . . 4.610 3.959 3.744 4.296 . 0 0 "[ . 1 . 2]" 1
1936 1 67 ILE MG 1 69 GLU QG . . 5.340 3.793 3.491 3.984 . 0 0 "[ . 1 . 2]" 1
1937 1 68 ILE H 1 68 ILE HB . . 3.390 2.784 2.705 2.868 . 0 0 "[ . 1 . 2]" 1
1938 1 68 ILE H 1 68 ILE MD . . 4.080 3.878 3.734 4.087 0.007 12 0 "[ . 1 . 2]" 1
1939 1 68 ILE H 1 68 ILE HG12 . . 4.370 3.864 3.695 4.090 . 0 0 "[ . 1 . 2]" 1
1940 1 68 ILE H 1 68 ILE HG13 . . 3.830 2.613 2.393 2.855 . 0 0 "[ . 1 . 2]" 1
1941 1 68 ILE H 1 68 ILE MG . . 4.310 3.908 3.877 3.945 . 0 0 "[ . 1 . 2]" 1
1942 1 68 ILE H 1 69 GLU H . . 4.450 4.077 3.931 4.279 . 0 0 "[ . 1 . 2]" 1
1943 1 68 ILE HA 1 68 ILE MD . . 4.030 3.909 3.826 3.949 . 0 0 "[ . 1 . 2]" 1
1944 1 68 ILE HA 1 68 ILE HG12 . . 3.570 2.711 2.547 2.795 . 0 0 "[ . 1 . 2]" 1
1945 1 68 ILE HA 1 68 ILE HG13 . . 3.770 3.064 2.894 3.180 . 0 0 "[ . 1 . 2]" 1
1946 1 68 ILE HA 1 68 ILE MG . . 3.020 2.227 2.134 2.390 . 0 0 "[ . 1 . 2]" 1
1947 1 68 ILE HA 1 69 GLU H . . 2.720 2.165 2.142 2.185 . 0 0 "[ . 1 . 2]" 1
1948 1 68 ILE HA 1 69 GLU HB2 . . 4.420 4.316 4.286 4.362 . 0 0 "[ . 1 . 2]" 1
1949 1 68 ILE HB 1 68 ILE MD . . 3.140 2.343 2.173 2.493 . 0 0 "[ . 1 . 2]" 1
1950 1 68 ILE HB 1 69 GLU H . . 4.490 4.303 4.117 4.394 . 0 0 "[ . 1 . 2]" 1
1951 1 68 ILE MD 1 75 ASP HA . . 5.500 4.962 4.443 5.464 . 0 0 "[ . 1 . 2]" 1
1952 1 68 ILE MD 1 75 ASP QB . . 3.800 3.494 3.133 3.827 0.027 20 0 "[ . 1 . 2]" 1
1953 1 68 ILE HG12 1 68 ILE MG . . 3.470 2.314 2.116 2.381 . 0 0 "[ . 1 . 2]" 1
1954 1 68 ILE MG 1 69 GLU H . . 3.380 3.032 2.690 3.248 . 0 0 "[ . 1 . 2]" 1
1955 1 68 ILE MG 1 69 GLU HA . . 5.070 4.357 4.191 4.487 . 0 0 "[ . 1 . 2]" 1
1956 1 68 ILE MG 1 70 GLY H . . 4.620 4.322 3.919 4.641 0.021 12 0 "[ . 1 . 2]" 1
1957 1 68 ILE MG 1 71 ALA H . . 4.580 4.313 3.927 4.493 . 0 0 "[ . 1 . 2]" 1
1958 1 68 ILE MG 1 71 ALA HA . . 3.140 2.981 2.790 3.132 . 0 0 "[ . 1 . 2]" 1
1959 1 68 ILE MG 1 71 ALA MB . . 3.380 3.232 2.930 3.378 . 0 0 "[ . 1 . 2]" 1
1960 1 68 ILE MG 1 72 THR H . . 4.630 4.422 4.240 4.555 . 0 0 "[ . 1 . 2]" 1
1961 1 68 ILE MG 1 75 ASP QB . . 4.770 3.173 2.838 3.447 . 0 0 "[ . 1 . 2]" 1
1962 1 69 GLU H 1 69 GLU HB2 . . 3.200 2.191 2.151 2.237 . 0 0 "[ . 1 . 2]" 1
1963 1 69 GLU H 1 69 GLU HB3 . . 3.640 3.491 3.455 3.525 . 0 0 "[ . 1 . 2]" 1
1964 1 69 GLU H 1 69 GLU HG2 . . 4.340 4.026 3.131 4.293 . 0 0 "[ . 1 . 2]" 1
1965 1 69 GLU H 1 69 GLU QG . . 3.590 2.942 2.740 3.093 . 0 0 "[ . 1 . 2]" 1
1966 1 69 GLU H 1 69 GLU HG3 . . 4.340 3.122 2.789 4.237 . 0 0 "[ . 1 . 2]" 1
1967 1 69 GLU H 1 70 GLY H . . 4.430 4.365 4.274 4.547 0.117 18 0 "[ . 1 . 2]" 1
1968 1 69 GLU HA 1 69 GLU HG2 . . 3.900 2.593 2.401 2.931 . 0 0 "[ . 1 . 2]" 1
1969 1 69 GLU HA 1 69 GLU QG . . 3.310 2.339 2.256 2.800 . 0 0 "[ . 1 . 2]" 1
1970 1 69 GLU HA 1 69 GLU HG3 . . 3.900 2.712 2.381 3.554 . 0 0 "[ . 1 . 2]" 1
1971 1 69 GLU HA 1 70 GLY H . . 2.740 2.163 2.147 2.180 . 0 0 "[ . 1 . 2]" 1
1972 1 69 GLU HA 1 70 GLY HA2 . . 4.540 4.374 4.362 4.398 . 0 0 "[ . 1 . 2]" 1
1973 1 69 GLU HA 1 70 GLY HA3 . . 4.630 4.373 4.360 4.429 . 0 0 "[ . 1 . 2]" 1
1974 1 69 GLU HB2 1 70 GLY H . . 4.720 4.537 4.398 4.579 . 0 0 "[ . 1 . 2]" 1
1975 1 69 GLU HB3 1 70 GLY H . . 3.990 3.742 3.370 3.865 . 0 0 "[ . 1 . 2]" 1
1976 1 69 GLU QG 1 70 GLY H . . 4.260 4.027 3.883 4.350 0.090 12 0 "[ . 1 . 2]" 1
1977 1 69 GLU HG2 1 70 GLY H . . 4.880 4.353 4.077 4.865 . 0 0 "[ . 1 . 2]" 1
1978 1 69 GLU HG3 1 70 GLY H . . 4.880 4.774 4.503 4.902 0.022 12 0 "[ . 1 . 2]" 1
1979 1 70 GLY H 1 70 GLY HA2 . . 2.840 2.330 2.298 2.368 . 0 0 "[ . 1 . 2]" 1
1980 1 70 GLY H 1 71 ALA H . . 3.280 3.021 2.716 3.232 . 0 0 "[ . 1 . 2]" 1
1981 1 70 GLY H 1 71 ALA MB . . 4.480 4.288 4.099 4.450 . 0 0 "[ . 1 . 2]" 1
1982 1 70 GLY HA2 1 71 ALA H . . 3.140 2.345 2.254 2.453 . 0 0 "[ . 1 . 2]" 1
1983 1 70 GLY HA2 1 71 ALA MB . . 4.670 4.221 4.157 4.280 . 0 0 "[ . 1 . 2]" 1
1984 1 70 GLY HA3 1 71 ALA MB . . 5.130 4.994 4.967 5.017 . 0 0 "[ . 1 . 2]" 1
1985 1 71 ALA H 1 71 ALA MB . . 2.770 2.259 2.210 2.310 . 0 0 "[ . 1 . 2]" 1
1986 1 71 ALA H 1 72 THR H . . 4.470 4.144 4.064 4.364 . 0 0 "[ . 1 . 2]" 1
1987 1 71 ALA HA 1 72 THR H . . 2.870 2.227 2.150 2.265 . 0 0 "[ . 1 . 2]" 1
1988 1 71 ALA HA 1 72 THR HA . . 4.650 4.455 4.404 4.481 . 0 0 "[ . 1 . 2]" 1
1989 1 71 ALA HA 1 75 ASP QB . . 4.550 2.581 2.336 2.919 . 0 0 "[ . 1 . 2]" 1
1990 1 71 ALA HA 1 94 VAL QG . . 4.790 3.749 3.469 4.079 . 0 0 "[ . 1 . 2]" 1
1991 1 71 ALA MB 1 72 THR H . . 3.570 3.534 3.352 3.590 0.020 8 0 "[ . 1 . 2]" 1
1992 1 71 ALA MB 1 72 THR HA . . 5.320 4.337 4.206 4.435 . 0 0 "[ . 1 . 2]" 1
1993 1 71 ALA MB 1 75 ASP HB2 . . 4.690 3.293 2.993 3.819 . 0 0 "[ . 1 . 2]" 1
1994 1 71 ALA MB 1 75 ASP QB . . 3.920 2.945 2.532 3.377 . 0 0 "[ . 1 . 2]" 1
1995 1 71 ALA MB 1 75 ASP HB3 . . 4.690 3.381 2.614 3.951 . 0 0 "[ . 1 . 2]" 1
1996 1 71 ALA MB 1 94 VAL QG . . 3.550 2.351 2.041 2.737 . 0 0 "[ . 1 . 2]" 1
1997 1 72 THR H 1 72 THR MG . . 4.030 3.249 2.438 3.834 . 0 0 "[ . 1 . 2]" 1
1998 1 72 THR H 1 75 ASP H . . 4.260 3.353 3.011 3.694 . 0 0 "[ . 1 . 2]" 1
1999 1 72 THR H 1 75 ASP HB2 . . 4.160 2.625 2.026 3.791 . 0 0 "[ . 1 . 2]" 1
2000 1 72 THR H 1 75 ASP QB . . 3.510 2.433 2.006 3.177 . 0 0 "[ . 1 . 2]" 1
2001 1 72 THR H 1 75 ASP HB3 . . 4.160 3.555 2.202 4.091 . 0 0 "[ . 1 . 2]" 1
2002 1 72 THR H 1 94 VAL MG1 . . 5.180 4.257 3.873 4.493 . 0 0 "[ . 1 . 2]" 1
2003 1 72 THR H 1 94 VAL QG . . 4.220 3.707 3.389 3.940 . 0 0 "[ . 1 . 2]" 1
2004 1 72 THR H 1 94 VAL MG2 . . 5.180 4.090 3.734 4.525 . 0 0 "[ . 1 . 2]" 1
2005 1 72 THR HA 1 72 THR MG . . 3.190 2.158 2.059 2.325 . 0 0 "[ . 1 . 2]" 1
2006 1 72 THR HA 1 73 LYS H . . 3.560 2.459 2.317 2.569 . 0 0 "[ . 1 . 2]" 1
2007 1 72 THR HA 1 94 VAL QG . . 3.810 2.765 2.169 3.110 . 0 0 "[ . 1 . 2]" 1
2008 1 72 THR HB 1 73 LYS H . . 3.410 2.672 2.023 3.393 . 0 0 "[ . 1 . 2]" 1
2009 1 72 THR HB 1 73 LYS QB . . 4.680 3.968 3.476 4.462 . 0 0 "[ . 1 . 2]" 1
2010 1 72 THR HB 1 74 ALA H . . 4.890 2.740 2.206 3.147 . 0 0 "[ . 1 . 2]" 1
2011 1 72 THR HB 1 74 ALA MB . . 4.250 3.352 2.881 3.905 . 0 0 "[ . 1 . 2]" 1
2012 1 72 THR HB 1 75 ASP H . . 4.000 3.400 2.754 4.002 0.002 13 0 "[ . 1 . 2]" 1
2013 1 72 THR MG 1 73 LYS H . . 4.380 2.702 1.824 3.601 . 0 0 "[ . 1 . 2]" 1
2014 1 72 THR MG 1 75 ASP H . . 4.550 4.406 4.073 4.571 0.021 16 0 "[ . 1 . 2]" 1
2015 1 73 LYS H 1 73 LYS QB . . 3.560 2.332 2.180 2.639 . 0 0 "[ . 1 . 2]" 1
2016 1 73 LYS H 1 73 LYS HG2 . . 4.190 3.018 1.913 4.104 . 0 0 "[ . 1 . 2]" 1
2017 1 73 LYS H 1 73 LYS HG3 . . 4.190 3.556 3.340 3.716 . 0 0 "[ . 1 . 2]" 1
2018 1 73 LYS H 1 94 VAL QG . . 4.970 3.002 2.504 3.396 . 0 0 "[ . 1 . 2]" 1
2019 1 73 LYS HA 1 73 LYS QD . . 3.250 2.485 1.990 3.040 . 0 0 "[ . 1 . 2]" 1
2020 1 73 LYS HA 1 73 LYS HG2 . . 4.010 2.959 2.384 3.591 . 0 0 "[ . 1 . 2]" 1
2021 1 73 LYS HA 1 73 LYS QG . . 3.170 2.459 2.172 2.924 . 0 0 "[ . 1 . 2]" 1
2022 1 73 LYS HA 1 73 LYS HG3 . . 4.010 3.189 2.193 3.805 . 0 0 "[ . 1 . 2]" 1
2023 1 73 LYS HA 1 74 ALA HA . . 4.990 4.781 4.653 4.881 . 0 0 "[ . 1 . 2]" 1
2024 1 73 LYS HA 1 75 ASP H . . 4.730 4.458 4.275 4.731 0.001 10 0 "[ . 1 . 2]" 1
2025 1 73 LYS HA 1 76 ALA H . . 3.980 3.713 3.421 3.973 . 0 0 "[ . 1 . 2]" 1
2026 1 73 LYS HA 1 76 ALA MB . . 3.500 3.095 2.445 3.374 . 0 0 "[ . 1 . 2]" 1
2027 1 73 LYS HA 1 94 VAL H . . 4.820 4.445 4.221 4.794 . 0 0 "[ . 1 . 2]" 1
2028 1 73 LYS HA 1 94 VAL HB . . 3.400 2.193 1.999 2.553 . 0 0 "[ . 1 . 2]" 1
2029 1 73 LYS HA 1 94 VAL MG1 . . 3.740 2.593 1.996 3.145 . 0 0 "[ . 1 . 2]" 1
2030 1 73 LYS HA 1 94 VAL QG . . 3.160 2.450 1.977 2.892 . 0 0 "[ . 1 . 2]" 1
2031 1 73 LYS HA 1 94 VAL MG2 . . 3.740 3.158 2.739 3.591 . 0 0 "[ . 1 . 2]" 1
2032 1 73 LYS QB 1 73 LYS HE2 . . 4.440 3.957 2.247 4.460 0.020 7 0 "[ . 1 . 2]" 1
2033 1 73 LYS QB 1 73 LYS HE3 . . 4.440 3.999 2.905 4.427 . 0 0 "[ . 1 . 2]" 1
2034 1 73 LYS QB 1 74 ALA HA . . 4.650 3.859 3.754 4.021 . 0 0 "[ . 1 . 2]" 1
2035 1 73 LYS QD 1 73 LYS QG . . 2.440 2.075 2.026 2.092 . 0 0 "[ . 1 . 2]" 1
2036 1 73 LYS QD 1 94 VAL QG . . 4.770 2.905 1.989 3.767 . 0 0 "[ . 1 . 2]" 1
2037 1 73 LYS QE 1 73 LYS QG . . 3.310 2.252 2.121 2.574 . 0 0 "[ . 1 . 2]" 1
2038 1 73 LYS QE 1 95 ASP HA . . 4.220 3.493 2.027 4.239 0.019 16 0 "[ . 1 . 2]" 1
2039 1 73 LYS QE 1 96 LEU QD . . 3.800 2.503 1.851 3.617 . 0 0 "[ . 1 . 2]" 1
2040 1 73 LYS QE 1 96 LEU HG . . 3.520 2.562 1.906 3.448 . 0 0 "[ . 1 . 2]" 1
2041 1 73 LYS HE2 1 95 ASP HA . . 4.990 4.074 2.184 4.982 . 0 0 "[ . 1 . 2]" 1
2042 1 73 LYS HE3 1 95 ASP HA . . 4.990 4.085 2.400 4.979 . 0 0 "[ . 1 . 2]" 1
2043 1 73 LYS QG 1 94 VAL QG . . 4.170 3.064 2.363 3.783 . 0 0 "[ . 1 . 2]" 1
2044 1 73 LYS QG 1 96 LEU QD . . 4.080 3.297 2.483 4.085 0.005 16 0 "[ . 1 . 2]" 1
2045 1 74 ALA H 1 74 ALA MB . . 3.670 2.140 2.033 2.310 . 0 0 "[ . 1 . 2]" 1
2046 1 74 ALA HA 1 76 ALA H . . 4.120 3.951 3.600 4.112 . 0 0 "[ . 1 . 2]" 1
2047 1 74 ALA MB 1 75 ASP H . . 3.790 2.602 2.396 2.826 . 0 0 "[ . 1 . 2]" 1
2048 1 74 ALA MB 1 75 ASP HA . . 4.680 3.742 3.626 3.830 . 0 0 "[ . 1 . 2]" 1
2049 1 74 ALA MB 1 76 ALA H . . 4.660 4.360 4.190 4.499 . 0 0 "[ . 1 . 2]" 1
2050 1 75 ASP H 1 75 ASP HB2 . . 3.770 2.489 2.170 3.520 . 0 0 "[ . 1 . 2]" 1
2051 1 75 ASP H 1 75 ASP QB . . 3.210 2.322 2.125 2.630 . 0 0 "[ . 1 . 2]" 1
2052 1 75 ASP H 1 75 ASP HB3 . . 3.770 3.379 2.179 3.601 . 0 0 "[ . 1 . 2]" 1
2053 1 75 ASP H 1 76 ALA H . . 3.130 2.777 2.537 2.947 . 0 0 "[ . 1 . 2]" 1
2054 1 75 ASP H 1 76 ALA MB . . 4.560 4.361 4.125 4.534 . 0 0 "[ . 1 . 2]" 1
2055 1 75 ASP H 1 94 VAL MG1 . . 5.020 4.783 4.489 4.970 . 0 0 "[ . 1 . 2]" 1
2056 1 75 ASP H 1 94 VAL QG . . 4.030 3.732 3.450 3.951 . 0 0 "[ . 1 . 2]" 1
2057 1 75 ASP H 1 94 VAL MG2 . . 5.020 3.897 3.585 4.168 . 0 0 "[ . 1 . 2]" 1
2058 1 75 ASP QB 1 76 ALA H . . 4.050 2.854 2.594 3.434 . 0 0 "[ . 1 . 2]" 1
2059 1 75 ASP QB 1 92 LEU QD . . 3.760 3.032 2.623 3.409 . 0 0 "[ . 1 . 2]" 1
2060 1 75 ASP QB 1 94 VAL QG . . 3.480 2.739 2.198 3.479 . 0 0 "[ . 1 . 2]" 1
2061 1 75 ASP HB2 1 76 ALA H . . 4.670 3.095 2.653 4.024 . 0 0 "[ . 1 . 2]" 1
2062 1 75 ASP HB3 1 76 ALA H . . 4.670 3.606 2.718 3.901 . 0 0 "[ . 1 . 2]" 1
2063 1 76 ALA H 1 76 ALA MB . . 2.820 2.097 2.025 2.233 . 0 0 "[ . 1 . 2]" 1
2064 1 76 ALA H 1 77 ALA H . . 4.350 4.187 4.143 4.238 . 0 0 "[ . 1 . 2]" 1
2065 1 76 ALA H 1 77 ALA MB . . 4.960 4.633 4.517 4.709 . 0 0 "[ . 1 . 2]" 1
2066 1 76 ALA H 1 94 VAL HB . . 4.580 3.781 3.363 4.438 . 0 0 "[ . 1 . 2]" 1
2067 1 76 ALA H 1 94 VAL QG . . 3.780 2.378 1.954 2.780 . 0 0 "[ . 1 . 2]" 1
2068 1 76 ALA HA 1 77 ALA H . . 2.670 2.238 2.213 2.264 . 0 0 "[ . 1 . 2]" 1
2069 1 76 ALA HA 1 77 ALA MB . . 4.550 4.160 4.112 4.199 . 0 0 "[ . 1 . 2]" 1
2070 1 76 ALA HA 1 79 TYR QE . . 4.470 3.486 3.149 3.697 . 0 0 "[ . 1 . 2]" 1
2071 1 76 ALA HA 1 92 LEU H . . 4.880 4.501 4.288 4.713 . 0 0 "[ . 1 . 2]" 1
2072 1 76 ALA HA 1 92 LEU HB2 . . 4.590 4.373 4.074 4.584 . 0 0 "[ . 1 . 2]" 1
2073 1 76 ALA HA 1 92 LEU HB3 . . 3.780 2.676 2.447 2.857 . 0 0 "[ . 1 . 2]" 1
2074 1 76 ALA HA 1 92 LEU MD1 . . 4.840 4.559 4.102 4.810 . 0 0 "[ . 1 . 2]" 1
2075 1 76 ALA HA 1 92 LEU QD . . 3.710 2.845 2.435 3.467 . 0 0 "[ . 1 . 2]" 1
2076 1 76 ALA HA 1 92 LEU MD2 . . 4.840 2.881 2.444 3.604 . 0 0 "[ . 1 . 2]" 1
2077 1 76 ALA HA 1 92 LEU HG . . 3.730 3.121 2.483 3.416 . 0 0 "[ . 1 . 2]" 1
2078 1 76 ALA HA 1 94 VAL QG . . 3.530 2.640 2.316 2.875 . 0 0 "[ . 1 . 2]" 1
2079 1 76 ALA MB 1 77 ALA H . . 3.580 3.566 3.534 3.593 0.013 5 0 "[ . 1 . 2]" 1
2080 1 76 ALA MB 1 77 ALA HA . . 4.340 4.103 4.049 4.144 . 0 0 "[ . 1 . 2]" 1
2081 1 76 ALA MB 1 77 ALA MB . . 4.470 4.294 4.257 4.324 . 0 0 "[ . 1 . 2]" 1
2082 1 76 ALA MB 1 92 LEU H . . 4.800 4.774 4.684 4.805 0.005 2 0 "[ . 1 . 2]" 1
2083 1 76 ALA MB 1 92 LEU HB3 . . 4.740 3.936 3.721 4.128 . 0 0 "[ . 1 . 2]" 1
2084 1 76 ALA MB 1 92 LEU HG . . 4.480 3.791 3.109 4.303 . 0 0 "[ . 1 . 2]" 1
2085 1 76 ALA MB 1 93 SER QB . . 4.630 4.203 3.875 4.564 . 0 0 "[ . 1 . 2]" 1
2086 1 76 ALA MB 1 94 VAL H . . 3.020 2.154 1.815 2.770 . 0 0 "[ . 1 . 2]" 1
2087 1 76 ALA MB 1 94 VAL MG1 . . 4.270 3.671 3.464 4.006 . 0 0 "[ . 1 . 2]" 1
2088 1 76 ALA MB 1 94 VAL QG . . 3.060 1.908 1.716 2.280 . 0 0 "[ . 1 . 2]" 1
2089 1 76 ALA MB 1 94 VAL MG2 . . 4.270 1.915 1.719 2.302 . 0 0 "[ . 1 . 2]" 1
2090 1 77 ALA H 1 77 ALA MB . . 3.470 2.633 2.604 2.708 . 0 0 "[ . 1 . 2]" 1
2091 1 77 ALA H 1 78 GLU H . . 4.510 4.406 4.399 4.416 . 0 0 "[ . 1 . 2]" 1
2092 1 77 ALA H 1 78 GLU HA . . 5.060 4.872 4.832 4.924 . 0 0 "[ . 1 . 2]" 1
2093 1 77 ALA H 1 79 TYR QD . . 4.320 3.554 3.383 3.759 . 0 0 "[ . 1 . 2]" 1
2094 1 77 ALA H 1 79 TYR QE . . 3.700 2.232 1.897 2.580 . 0 0 "[ . 1 . 2]" 1
2095 1 77 ALA H 1 92 LEU H . . 3.970 3.762 3.602 3.957 . 0 0 "[ . 1 . 2]" 1
2096 1 77 ALA H 1 92 LEU HB2 . . 4.450 3.924 3.671 4.203 . 0 0 "[ . 1 . 2]" 1
2097 1 77 ALA H 1 92 LEU HB3 . . 3.510 2.395 2.086 2.609 . 0 0 "[ . 1 . 2]" 1
2098 1 77 ALA H 1 92 LEU MD1 . . 5.340 5.051 4.794 5.245 . 0 0 "[ . 1 . 2]" 1
2099 1 77 ALA H 1 92 LEU QD . . 4.000 3.095 2.801 3.512 . 0 0 "[ . 1 . 2]" 1
2100 1 77 ALA H 1 92 LEU MD2 . . 5.340 3.126 2.817 3.584 . 0 0 "[ . 1 . 2]" 1
2101 1 77 ALA H 1 92 LEU HG . . 4.730 4.305 3.862 4.582 . 0 0 "[ . 1 . 2]" 1
2102 1 77 ALA H 1 94 VAL QG . . 4.720 4.464 4.143 4.718 . 0 0 "[ . 1 . 2]" 1
2103 1 77 ALA HA 1 78 GLU H . . 2.840 2.468 2.407 2.496 . 0 0 "[ . 1 . 2]" 1
2104 1 77 ALA HA 1 78 GLU HB3 . . 5.150 4.861 4.760 4.955 . 0 0 "[ . 1 . 2]" 1
2105 1 77 ALA MB 1 78 GLU H . . 3.000 2.352 2.227 2.452 . 0 0 "[ . 1 . 2]" 1
2106 1 77 ALA MB 1 78 GLU HA . . 4.430 4.201 4.176 4.244 . 0 0 "[ . 1 . 2]" 1
2107 1 77 ALA MB 1 78 GLU HB3 . . 4.270 4.141 4.035 4.254 . 0 0 "[ . 1 . 2]" 1
2108 1 77 ALA MB 1 79 TYR HA . . 5.070 4.588 4.522 4.655 . 0 0 "[ . 1 . 2]" 1
2109 1 77 ALA MB 1 79 TYR QD . . 4.320 4.049 3.867 4.265 . 0 0 "[ . 1 . 2]" 1
2110 1 77 ALA MB 1 79 TYR QE . . 3.670 3.393 3.129 3.671 0.001 16 0 "[ . 1 . 2]" 1
2111 1 78 GLU H 1 78 GLU HB2 . . 3.430 2.686 2.596 2.752 . 0 0 "[ . 1 . 2]" 1
2112 1 78 GLU H 1 78 GLU HB3 . . 3.200 2.439 2.372 2.513 . 0 0 "[ . 1 . 2]" 1
2113 1 78 GLU H 1 78 GLU HG2 . . 4.450 4.393 4.329 4.459 0.009 19 0 "[ . 1 . 2]" 1
2114 1 78 GLU H 1 78 GLU HG3 . . 4.590 4.518 4.478 4.568 . 0 0 "[ . 1 . 2]" 1
2115 1 78 GLU H 1 79 TYR H . . 4.680 4.280 4.243 4.347 . 0 0 "[ . 1 . 2]" 1
2116 1 78 GLU HA 1 78 GLU HG2 . . 3.810 3.224 3.137 3.356 . 0 0 "[ . 1 . 2]" 1
2117 1 78 GLU HA 1 78 GLU HG3 . . 3.580 2.568 2.469 2.704 . 0 0 "[ . 1 . 2]" 1
2118 1 78 GLU HA 1 79 TYR H . . 2.820 2.176 2.157 2.188 . 0 0 "[ . 1 . 2]" 1
2119 1 78 GLU HA 1 79 TYR HB2 . . 5.080 4.538 4.462 4.637 . 0 0 "[ . 1 . 2]" 1
2120 1 78 GLU HA 1 79 TYR QD . . 4.180 3.738 3.519 4.076 . 0 0 "[ . 1 . 2]" 1
2121 1 78 GLU HA 1 90 ALA H . . 4.270 4.077 3.933 4.201 . 0 0 "[ . 1 . 2]" 1
2122 1 78 GLU HB2 1 79 TYR H . . 4.600 4.448 4.395 4.498 . 0 0 "[ . 1 . 2]" 1
2123 1 78 GLU HB2 1 91 LYS HG2 . . 4.420 3.483 3.020 3.920 . 0 0 "[ . 1 . 2]" 1
2124 1 78 GLU HB3 1 79 TYR H . . 4.710 4.444 4.395 4.485 . 0 0 "[ . 1 . 2]" 1
2125 1 78 GLU HG2 1 79 TYR H . . 4.160 3.859 3.639 3.979 . 0 0 "[ . 1 . 2]" 1
2126 1 78 GLU HG2 1 89 SER HB2 . . 4.470 3.734 3.013 4.470 . 0 0 "[ . 1 . 2]" 1
2127 1 78 GLU HG2 1 89 SER HB3 . . 4.470 3.771 2.777 4.467 . 0 0 "[ . 1 . 2]" 1
2128 1 78 GLU HG2 1 90 ALA H . . 4.560 3.530 3.084 3.699 . 0 0 "[ . 1 . 2]" 1
2129 1 78 GLU HG2 1 90 ALA MB . . 5.500 5.423 5.134 5.500 . 0 0 "[ . 1 . 2]" 1
2130 1 78 GLU HG2 1 91 LYS HG2 . . 5.500 5.327 5.098 5.486 . 0 0 "[ . 1 . 2]" 1
2131 1 78 GLU HG3 1 79 TYR H . . 3.800 3.703 3.532 3.800 . 0 0 "[ . 1 . 2]" 1
2132 1 78 GLU HG3 1 89 SER HB2 . . 4.470 3.491 2.908 4.471 0.001 7 0 "[ . 1 . 2]" 1
2133 1 78 GLU HG3 1 89 SER HB3 . . 4.470 4.050 3.096 4.473 0.003 11 0 "[ . 1 . 2]" 1
2134 1 78 GLU HG3 1 90 ALA H . . 4.200 3.068 2.721 3.314 . 0 0 "[ . 1 . 2]" 1
2135 1 78 GLU HG3 1 90 ALA MB . . 5.250 4.761 4.517 5.081 . 0 0 "[ . 1 . 2]" 1
2136 1 78 GLU HG3 1 91 LYS HG2 . . 4.430 3.708 3.489 3.870 . 0 0 "[ . 1 . 2]" 1
2137 1 78 GLU HG3 1 91 LYS HG3 . . 4.630 4.126 3.616 4.501 . 0 0 "[ . 1 . 2]" 1
2138 1 79 TYR H 1 79 TYR HB2 . . 3.590 2.379 2.327 2.467 . 0 0 "[ . 1 . 2]" 1
2139 1 79 TYR H 1 79 TYR HB3 . . 4.020 3.605 3.583 3.628 . 0 0 "[ . 1 . 2]" 1
2140 1 79 TYR H 1 79 TYR QD . . 3.550 2.332 2.071 2.635 . 0 0 "[ . 1 . 2]" 1
2141 1 79 TYR H 1 79 TYR QE . . 4.930 4.498 4.233 4.650 . 0 0 "[ . 1 . 2]" 1
2142 1 79 TYR H 1 80 SER H . . 4.810 4.373 4.344 4.408 . 0 0 "[ . 1 . 2]" 1
2143 1 79 TYR H 1 89 SER HA . . 5.300 5.167 5.064 5.302 0.002 8 0 "[ . 1 . 2]" 1
2144 1 79 TYR H 1 90 ALA H . . 3.610 3.433 3.321 3.552 . 0 0 "[ . 1 . 2]" 1
2145 1 79 TYR H 1 90 ALA MB . . 4.570 3.674 3.450 3.859 . 0 0 "[ . 1 . 2]" 1
2146 1 79 TYR H 1 92 LEU H . . 4.400 4.033 3.840 4.288 . 0 0 "[ . 1 . 2]" 1
2147 1 79 TYR HA 1 79 TYR QD . . 3.600 3.035 2.825 3.117 . 0 0 "[ . 1 . 2]" 1
2148 1 79 TYR HA 1 80 SER H . . 2.760 2.142 2.138 2.146 . 0 0 "[ . 1 . 2]" 1
2149 1 79 TYR HB2 1 80 SER H . . 4.510 4.412 4.361 4.449 . 0 0 "[ . 1 . 2]" 1
2150 1 79 TYR HB2 1 90 ALA H . . 4.760 4.135 3.917 4.271 . 0 0 "[ . 1 . 2]" 1
2151 1 79 TYR HB2 1 90 ALA MB . . 4.120 3.217 2.888 3.484 . 0 0 "[ . 1 . 2]" 1
2152 1 79 TYR HB3 1 80 SER H . . 3.690 3.610 3.547 3.644 . 0 0 "[ . 1 . 2]" 1
2153 1 79 TYR HB3 1 90 ALA H . . 5.170 5.051 4.801 5.171 0.001 19 0 "[ . 1 . 2]" 1
2154 1 79 TYR QD 1 80 SER H . . 4.660 4.420 4.226 4.594 . 0 0 "[ . 1 . 2]" 1
2155 1 79 TYR QD 1 90 ALA H . . 5.500 5.327 5.183 5.482 . 0 0 "[ . 1 . 2]" 1
2156 1 79 TYR QD 1 91 LYS HA . . 5.310 4.594 4.343 4.862 . 0 0 "[ . 1 . 2]" 1
2157 1 79 TYR QD 1 92 LEU H . . 3.910 3.698 3.533 3.902 . 0 0 "[ . 1 . 2]" 1
2158 1 79 TYR QD 1 92 LEU HB2 . . 4.070 2.706 2.496 2.997 . 0 0 "[ . 1 . 2]" 1
2159 1 79 TYR QD 1 92 LEU HB3 . . 4.050 3.074 2.851 3.300 . 0 0 "[ . 1 . 2]" 1
2160 1 79 TYR QD 1 92 LEU MD1 . . 4.980 4.321 3.848 4.618 . 0 0 "[ . 1 . 2]" 1
2161 1 79 TYR QD 1 92 LEU QD . . 4.360 3.121 2.932 3.278 . 0 0 "[ . 1 . 2]" 1
2162 1 79 TYR QD 1 92 LEU MD2 . . 4.980 3.208 2.995 3.382 . 0 0 "[ . 1 . 2]" 1
2163 1 79 TYR QD 1 92 LEU HG . . 5.230 5.150 5.035 5.236 0.006 14 0 "[ . 1 . 2]" 1
2164 1 79 TYR QE 1 92 LEU H . . 4.700 4.517 4.180 4.702 0.002 16 0 "[ . 1 . 2]" 1
2165 1 79 TYR QE 1 92 LEU HB2 . . 3.870 3.222 2.846 3.708 . 0 0 "[ . 1 . 2]" 1
2166 1 79 TYR QE 1 92 LEU HB3 . . 3.670 2.515 2.090 2.755 . 0 0 "[ . 1 . 2]" 1
2167 1 79 TYR QE 1 92 LEU MD1 . . 4.630 4.253 3.795 4.496 . 0 0 "[ . 1 . 2]" 1
2168 1 79 TYR QE 1 92 LEU QD . . 3.390 1.991 1.864 2.290 . 0 0 "[ . 1 . 2]" 1
2169 1 79 TYR QE 1 92 LEU MD2 . . 4.630 1.995 1.867 2.297 . 0 0 "[ . 1 . 2]" 1
2170 1 79 TYR QE 1 92 LEU HG . . 4.530 4.122 3.666 4.428 . 0 0 "[ . 1 . 2]" 1
2171 1 80 SER H 1 80 SER QB . . 3.670 2.580 2.516 2.671 . 0 0 "[ . 1 . 2]" 1
2172 1 80 SER H 1 81 VAL H . . 4.710 4.418 4.391 4.447 . 0 0 "[ . 1 . 2]" 1
2173 1 80 SER H 1 81 VAL HA . . 5.380 4.891 4.850 4.958 . 0 0 "[ . 1 . 2]" 1
2174 1 80 SER H 1 81 VAL MG1 . . 5.370 4.534 4.413 4.627 . 0 0 "[ . 1 . 2]" 1
2175 1 80 SER H 1 89 SER HA . . 4.450 4.402 4.355 4.452 0.002 9 0 "[ . 1 . 2]" 1
2176 1 80 SER HA 1 81 VAL H . . 2.880 2.187 2.172 2.222 . 0 0 "[ . 1 . 2]" 1
2177 1 80 SER HA 1 81 VAL HA . . 4.940 4.374 4.373 4.377 . 0 0 "[ . 1 . 2]" 1
2178 1 80 SER HA 1 81 VAL MG1 . . 4.470 3.334 3.214 3.463 . 0 0 "[ . 1 . 2]" 1
2179 1 80 SER HA 1 81 VAL MG2 . . 4.500 4.246 4.130 4.301 . 0 0 "[ . 1 . 2]" 1
2180 1 80 SER HA 1 88 SER H . . 4.450 4.309 4.245 4.426 . 0 0 "[ . 1 . 2]" 1
2181 1 80 SER HA 1 89 SER H . . 4.620 4.395 4.332 4.443 . 0 0 "[ . 1 . 2]" 1
2182 1 80 SER HA 1 89 SER QB . . 3.870 3.647 3.396 3.851 . 0 0 "[ . 1 . 2]" 1
2183 1 80 SER HA 1 90 ALA H . . 3.770 3.521 3.378 3.615 . 0 0 "[ . 1 . 2]" 1
2184 1 80 SER QB 1 81 VAL H . . 3.140 2.999 2.875 3.062 . 0 0 "[ . 1 . 2]" 1
2185 1 80 SER QB 1 81 VAL HA . . 5.300 4.324 4.272 4.341 . 0 0 "[ . 1 . 2]" 1
2186 1 80 SER QB 1 81 VAL MG1 . . 5.010 4.428 4.375 4.491 . 0 0 "[ . 1 . 2]" 1
2187 1 80 SER QB 1 81 VAL MG2 . . 5.030 4.462 4.404 4.529 . 0 0 "[ . 1 . 2]" 1
2188 1 80 SER QB 1 82 MET QG . . 5.490 5.467 5.401 5.496 0.006 2 0 "[ . 1 . 2]" 1
2189 1 80 SER QB 1 88 SER H . . 4.280 3.739 3.570 3.914 . 0 0 "[ . 1 . 2]" 1
2190 1 80 SER QB 1 89 SER HA . . 3.380 3.108 2.890 3.326 . 0 0 "[ . 1 . 2]" 1
2191 1 81 VAL H 1 81 VAL MG1 . . 3.420 2.279 2.045 2.403 . 0 0 "[ . 1 . 2]" 1
2192 1 81 VAL H 1 81 VAL MG2 . . 3.410 2.372 2.245 2.418 . 0 0 "[ . 1 . 2]" 1
2193 1 81 VAL H 1 87 GLN HA . . 4.800 4.615 4.529 4.696 . 0 0 "[ . 1 . 2]" 1
2194 1 81 VAL H 1 88 SER H . . 3.400 2.785 2.685 2.853 . 0 0 "[ . 1 . 2]" 1
2195 1 81 VAL H 1 88 SER HB2 . . 5.010 4.452 4.222 4.605 . 0 0 "[ . 1 . 2]" 1
2196 1 81 VAL H 1 88 SER HB3 . . 4.730 3.011 2.862 3.319 . 0 0 "[ . 1 . 2]" 1
2197 1 81 VAL H 1 89 SER HA . . 3.770 3.678 3.558 3.767 . 0 0 "[ . 1 . 2]" 1
2198 1 81 VAL H 1 90 ALA H . . 5.500 5.452 5.310 5.505 0.005 16 0 "[ . 1 . 2]" 1
2199 1 81 VAL HA 1 81 VAL MG1 . . 3.320 2.515 2.441 2.584 . 0 0 "[ . 1 . 2]" 1
2200 1 81 VAL HA 1 81 VAL MG2 . . 3.420 3.165 3.160 3.179 . 0 0 "[ . 1 . 2]" 1
2201 1 81 VAL HA 1 82 MET H . . 2.730 2.400 2.324 2.479 . 0 0 "[ . 1 . 2]" 1
2202 1 81 VAL HA 1 82 MET HA . . 4.700 4.490 4.450 4.530 . 0 0 "[ . 1 . 2]" 1
2203 1 81 VAL HA 1 82 MET HB2 . . 5.120 4.023 3.991 4.056 . 0 0 "[ . 1 . 2]" 1
2204 1 81 VAL HA 1 82 MET QB . . 4.400 3.846 3.820 3.872 . 0 0 "[ . 1 . 2]" 1
2205 1 81 VAL HA 1 82 MET HB3 . . 5.120 4.890 4.858 4.924 . 0 0 "[ . 1 . 2]" 1
2206 1 81 VAL HA 1 88 SER H . . 5.400 4.689 4.572 4.784 . 0 0 "[ . 1 . 2]" 1
2207 1 81 VAL HB 1 82 MET H . . 3.640 2.525 2.379 2.686 . 0 0 "[ . 1 . 2]" 1
2208 1 81 VAL MG1 1 82 MET H . . 4.050 3.942 3.879 4.010 . 0 0 "[ . 1 . 2]" 1
2209 1 81 VAL MG1 1 83 THR MG . . 4.900 4.701 4.622 4.895 . 0 0 "[ . 1 . 2]" 1
2210 1 81 VAL MG1 1 87 GLN HA . . 5.280 5.259 5.192 5.285 0.005 8 0 "[ . 1 . 2]" 1
2211 1 81 VAL MG1 1 88 SER H . . 4.150 4.091 3.952 4.149 . 0 0 "[ . 1 . 2]" 1
2212 1 81 VAL MG1 1 88 SER HB2 . . 4.370 4.205 4.029 4.371 0.001 7 0 "[ . 1 . 2]" 1
2213 1 81 VAL MG1 1 88 SER HB3 . . 3.490 2.852 2.622 3.114 . 0 0 "[ . 1 . 2]" 1
2214 1 81 VAL MG2 1 82 MET H . . 3.700 2.994 2.813 3.171 . 0 0 "[ . 1 . 2]" 1
2215 1 81 VAL MG2 1 82 MET HA . . 4.530 3.328 3.248 3.401 . 0 0 "[ . 1 . 2]" 1
2216 1 81 VAL MG2 1 82 MET QB . . 4.850 4.360 4.266 4.442 . 0 0 "[ . 1 . 2]" 1
2217 1 81 VAL MG2 1 83 THR H . . 4.590 3.869 3.458 4.163 . 0 0 "[ . 1 . 2]" 1
2218 1 81 VAL MG2 1 87 GLN HA . . 4.190 2.864 2.733 2.965 . 0 0 "[ . 1 . 2]" 1
2219 1 81 VAL MG2 1 88 SER H . . 3.590 2.132 1.920 2.290 . 0 0 "[ . 1 . 2]" 1
2220 1 81 VAL MG2 1 88 SER HA . . 4.690 4.065 3.919 4.232 . 0 0 "[ . 1 . 2]" 1
2221 1 81 VAL MG2 1 88 SER HB2 . . 3.990 2.865 2.562 3.083 . 0 0 "[ . 1 . 2]" 1
2222 1 81 VAL MG2 1 88 SER HB3 . . 3.380 2.268 1.990 2.582 . 0 0 "[ . 1 . 2]" 1
2223 1 82 MET H 1 82 MET HB2 . . 3.660 2.991 2.887 3.072 . 0 0 "[ . 1 . 2]" 1
2224 1 82 MET H 1 82 MET HB3 . . 3.660 3.091 3.025 3.154 . 0 0 "[ . 1 . 2]" 1
2225 1 82 MET H 1 82 MET QG . . 4.340 4.201 4.155 4.289 . 0 0 "[ . 1 . 2]" 1
2226 1 82 MET HA 1 82 MET QG . . 3.450 2.280 2.155 2.310 . 0 0 "[ . 1 . 2]" 1
2227 1 82 MET HA 1 83 THR H . . 2.640 2.150 2.140 2.183 . 0 0 "[ . 1 . 2]" 1
2228 1 82 MET HA 1 83 THR MG . . 4.260 3.745 3.509 3.996 . 0 0 "[ . 1 . 2]" 1
2229 1 82 MET HA 1 86 GLY H . . 4.990 4.731 4.509 4.902 . 0 0 "[ . 1 . 2]" 1
2230 1 82 MET HA 1 87 GLN HA . . 3.100 2.565 2.391 2.694 . 0 0 "[ . 1 . 2]" 1
2231 1 82 MET HA 1 87 GLN QB . . 3.620 3.166 3.008 3.408 . 0 0 "[ . 1 . 2]" 1
2232 1 82 MET HA 1 87 GLN QG . . 5.240 4.551 2.768 5.223 . 0 0 "[ . 1 . 2]" 1
2233 1 82 MET HA 1 88 SER H . . 4.230 3.993 3.845 4.090 . 0 0 "[ . 1 . 2]" 1
2234 1 82 MET QB 1 83 THR H . . 3.890 3.734 3.560 3.884 . 0 0 "[ . 1 . 2]" 1
2235 1 82 MET HB2 1 83 THR H . . 4.570 4.456 4.325 4.575 0.005 17 0 "[ . 1 . 2]" 1
2236 1 82 MET HB3 1 83 THR H . . 4.570 4.009 3.788 4.199 . 0 0 "[ . 1 . 2]" 1
2237 1 82 MET ME 1 82 MET QG . . 3.380 2.224 1.967 2.406 . 0 0 "[ . 1 . 2]" 1
2238 1 82 MET QG 1 83 THR H . . 3.680 2.921 2.532 3.436 . 0 0 "[ . 1 . 2]" 1
2239 1 82 MET QG 1 86 GLY H . . 4.850 4.367 3.964 4.671 . 0 0 "[ . 1 . 2]" 1
2240 1 82 MET QG 1 87 GLN HA . . 4.160 3.843 3.579 4.084 . 0 0 "[ . 1 . 2]" 1
2241 1 82 MET QG 1 87 GLN QG . . 4.630 4.179 2.646 4.631 0.001 7 0 "[ . 1 . 2]" 1
2242 1 82 MET QG 1 88 SER H . . 5.410 5.095 4.919 5.251 . 0 0 "[ . 1 . 2]" 1
2243 1 83 THR H 1 83 THR MG . . 3.410 2.736 2.492 3.068 . 0 0 "[ . 1 . 2]" 1
2244 1 83 THR H 1 84 THR H . . 4.530 4.438 4.408 4.492 . 0 0 "[ . 1 . 2]" 1
2245 1 83 THR H 1 85 GLY H . . 4.680 4.295 3.893 4.502 . 0 0 "[ . 1 . 2]" 1
2246 1 83 THR H 1 86 GLY H . . 3.500 2.987 2.767 3.104 . 0 0 "[ . 1 . 2]" 1
2247 1 83 THR H 1 87 GLN HA . . 3.720 3.349 3.199 3.550 . 0 0 "[ . 1 . 2]" 1
2248 1 83 THR H 1 87 GLN QB . . 4.340 3.954 3.792 4.145 . 0 0 "[ . 1 . 2]" 1
2249 1 83 THR HB 1 84 THR H . . 3.190 1.990 1.900 2.147 . 0 0 "[ . 1 . 2]" 1
2250 1 83 THR HB 1 85 GLY H . . 3.850 3.015 2.862 3.202 . 0 0 "[ . 1 . 2]" 1
2251 1 83 THR HB 1 86 GLY H . . 4.230 4.074 3.777 4.259 0.029 18 0 "[ . 1 . 2]" 1
2252 1 83 THR MG 1 84 THR H . . 3.760 3.549 3.416 3.649 . 0 0 "[ . 1 . 2]" 1
2253 1 83 THR MG 1 85 GLY H . . 4.380 4.261 4.068 4.365 . 0 0 "[ . 1 . 2]" 1
2254 1 83 THR MG 1 86 GLY H . . 4.340 4.240 4.000 4.376 0.036 8 0 "[ . 1 . 2]" 1
2255 1 83 THR MG 1 87 GLN H . . 5.500 5.085 4.845 5.266 . 0 0 "[ . 1 . 2]" 1
2256 1 83 THR MG 1 87 GLN HA . . 4.590 4.221 3.833 4.555 . 0 0 "[ . 1 . 2]" 1
2257 1 84 THR H 1 84 THR HB . . 3.970 3.608 3.535 3.620 . 0 0 "[ . 1 . 2]" 1
2258 1 84 THR H 1 84 THR MG . . 3.230 2.259 1.919 2.740 . 0 0 "[ . 1 . 2]" 1
2259 1 84 THR H 1 85 GLY H . . 3.810 2.712 2.626 2.847 . 0 0 "[ . 1 . 2]" 1
2260 1 84 THR H 1 86 GLY H . . 4.850 4.347 4.087 4.559 . 0 0 "[ . 1 . 2]" 1
2261 1 84 THR HA 1 84 THR HB . . 2.760 2.483 2.419 2.667 . 0 0 "[ . 1 . 2]" 1
2262 1 84 THR HA 1 84 THR MG . . 2.850 2.301 2.144 2.438 . 0 0 "[ . 1 . 2]" 1
2263 1 84 THR HA 1 86 GLY H . . 4.840 4.762 4.670 4.856 0.016 8 0 "[ . 1 . 2]" 1
2264 1 84 THR HB 1 85 GLY H . . 5.000 3.880 3.567 4.197 . 0 0 "[ . 1 . 2]" 1
2265 1 84 THR MG 1 85 GLY H . . 4.590 4.011 3.865 4.267 . 0 0 "[ . 1 . 2]" 1
2266 1 85 GLY H 1 86 GLY H . . 3.010 2.418 2.024 2.644 . 0 0 "[ . 1 . 2]" 1
2267 1 85 GLY HA2 1 86 GLY H . . 3.520 2.801 2.720 2.953 . 0 0 "[ . 1 . 2]" 1
2268 1 86 GLY H 1 87 GLN H . . 4.410 4.369 4.327 4.435 0.025 17 0 "[ . 1 . 2]" 1
2269 1 86 GLY H 1 87 GLN HA . . 5.090 4.836 4.822 4.910 . 0 0 "[ . 1 . 2]" 1
2270 1 86 GLY H 1 87 GLN QB . . 4.870 4.516 4.412 4.705 . 0 0 "[ . 1 . 2]" 1
2271 1 86 GLY QA 1 87 GLN QB . . 4.520 3.889 3.679 4.066 . 0 0 "[ . 1 . 2]" 1
2272 1 86 GLY HA2 1 87 GLN H . . 2.830 2.362 2.327 2.411 . 0 0 "[ . 1 . 2]" 1
2273 1 86 GLY HA3 1 87 GLN H . . 2.830 2.787 2.728 2.831 0.001 16 0 "[ . 1 . 2]" 1
2274 1 87 GLN H 1 87 GLN HB2 . . 3.970 3.806 3.274 3.970 . 0 0 "[ . 1 . 2]" 1
2275 1 87 GLN H 1 87 GLN QB . . 3.360 3.095 2.738 3.256 . 0 0 "[ . 1 . 2]" 1
2276 1 87 GLN H 1 87 GLN HB3 . . 3.970 3.279 2.847 3.490 . 0 0 "[ . 1 . 2]" 1
2277 1 87 GLN H 1 87 GLN QG . . 4.210 3.120 2.384 4.209 . 0 0 "[ . 1 . 2]" 1
2278 1 87 GLN HA 1 87 GLN QG . . 4.000 3.189 2.426 3.507 . 0 0 "[ . 1 . 2]" 1
2279 1 87 GLN HA 1 88 SER H . . 2.770 2.263 2.187 2.331 . 0 0 "[ . 1 . 2]" 1
2280 1 87 GLN HA 1 88 SER HB3 . . 4.960 4.641 4.285 4.822 . 0 0 "[ . 1 . 2]" 1
2281 1 87 GLN QB 1 87 GLN QE . . 4.000 3.302 2.331 3.703 . 0 0 "[ . 1 . 2]" 1
2282 1 87 GLN QB 1 88 SER H . . 3.360 2.959 2.648 3.397 0.037 11 0 "[ . 1 . 2]" 1
2283 1 87 GLN HB2 1 88 SER H . . 4.080 3.133 2.695 3.984 . 0 0 "[ . 1 . 2]" 1
2284 1 87 GLN HB3 1 88 SER H . . 4.080 3.943 3.629 4.077 . 0 0 "[ . 1 . 2]" 1
2285 1 87 GLN QG 1 88 SER H . . 4.240 3.447 1.876 4.238 . 0 0 "[ . 1 . 2]" 1
2286 1 88 SER H 1 88 SER HB2 . . 3.930 3.177 3.027 3.482 . 0 0 "[ . 1 . 2]" 1
2287 1 88 SER H 1 88 SER HB3 . . 3.720 2.924 2.794 3.063 . 0 0 "[ . 1 . 2]" 1
2288 1 88 SER H 1 88 SER HG . . 5.220 4.724 4.494 4.806 . 0 0 "[ . 1 . 2]" 1
2289 1 88 SER HB2 1 89 SER H . . 4.130 3.922 3.702 4.122 . 0 0 "[ . 1 . 2]" 1
2290 1 88 SER HB3 1 89 SER H . . 4.260 3.538 3.372 3.810 . 0 0 "[ . 1 . 2]" 1
2291 1 88 SER HG 1 89 SER H . . 3.440 2.972 2.181 3.393 . 0 0 "[ . 1 . 2]" 1
2292 1 89 SER H 1 89 SER HB2 . . 4.180 3.569 2.879 3.887 . 0 0 "[ . 1 . 2]" 1
2293 1 89 SER H 1 89 SER QB . . 3.580 3.089 2.709 3.247 . 0 0 "[ . 1 . 2]" 1
2294 1 89 SER H 1 89 SER HB3 . . 4.180 3.546 2.856 3.958 . 0 0 "[ . 1 . 2]" 1
2295 1 89 SER H 1 90 ALA H . . 4.540 4.363 4.304 4.415 . 0 0 "[ . 1 . 2]" 1
2296 1 89 SER H 1 90 ALA MB . . 4.930 4.516 4.375 4.658 . 0 0 "[ . 1 . 2]" 1
2297 1 89 SER HA 1 90 ALA H . . 2.770 2.255 2.215 2.298 . 0 0 "[ . 1 . 2]" 1
2298 1 89 SER HA 1 90 ALA MB . . 4.370 3.830 3.763 3.881 . 0 0 "[ . 1 . 2]" 1
2299 1 89 SER QB 1 90 ALA H . . 3.450 2.820 2.651 3.454 0.004 7 0 "[ . 1 . 2]" 1
2300 1 89 SER HB2 1 90 ALA H . . 4.060 3.152 2.706 3.909 . 0 0 "[ . 1 . 2]" 1
2301 1 89 SER HB3 1 90 ALA H . . 4.060 3.590 2.850 3.988 . 0 0 "[ . 1 . 2]" 1
2302 1 90 ALA H 1 90 ALA MB . . 3.370 2.621 2.519 2.733 . 0 0 "[ . 1 . 2]" 1
2303 1 90 ALA H 1 91 LYS H . . 4.660 4.373 4.270 4.432 . 0 0 "[ . 1 . 2]" 1
2304 1 90 ALA H 1 91 LYS HA . . 5.470 4.699 4.613 4.777 . 0 0 "[ . 1 . 2]" 1
2305 1 90 ALA HA 1 91 LYS H . . 2.660 2.387 2.208 2.649 . 0 0 "[ . 1 . 2]" 1
2306 1 90 ALA HA 1 91 LYS QB . . 4.290 4.227 4.137 4.290 . 0 0 "[ . 1 . 2]" 1
2307 1 90 ALA HA 1 91 LYS HG3 . . 4.890 4.116 3.856 4.490 . 0 0 "[ . 1 . 2]" 1
2308 1 90 ALA MB 1 91 LYS H . . 2.960 2.496 2.019 2.902 . 0 0 "[ . 1 . 2]" 1
2309 1 91 LYS H 1 91 LYS QB . . 3.000 2.401 2.254 2.574 . 0 0 "[ . 1 . 2]" 1
2310 1 91 LYS H 1 91 LYS QD . . 5.050 4.577 4.290 4.762 . 0 0 "[ . 1 . 2]" 1
2311 1 91 LYS H 1 91 LYS HG2 . . 4.460 4.026 3.743 4.272 . 0 0 "[ . 1 . 2]" 1
2312 1 91 LYS H 1 91 LYS HG3 . . 3.860 3.327 3.081 3.593 . 0 0 "[ . 1 . 2]" 1
2313 1 91 LYS HA 1 91 LYS QD . . 4.280 3.943 3.707 4.091 . 0 0 "[ . 1 . 2]" 1
2314 1 91 LYS HA 1 91 LYS HG2 . . 3.650 2.288 2.219 2.414 . 0 0 "[ . 1 . 2]" 1
2315 1 91 LYS HA 1 91 LYS HG3 . . 3.850 3.114 2.940 3.235 . 0 0 "[ . 1 . 2]" 1
2316 1 91 LYS HA 1 92 LEU H . . 2.760 2.154 2.141 2.203 . 0 0 "[ . 1 . 2]" 1
2317 1 91 LYS QB 1 92 LEU H . . 3.750 3.277 2.968 3.481 . 0 0 "[ . 1 . 2]" 1
2318 1 91 LYS QD 1 92 LEU H . . 5.500 5.127 4.739 5.473 . 0 0 "[ . 1 . 2]" 1
2319 1 91 LYS HG2 1 92 LEU H . . 4.780 4.035 3.816 4.231 . 0 0 "[ . 1 . 2]" 1
2320 1 92 LEU H 1 92 LEU HB2 . . 3.460 2.866 2.762 3.035 . 0 0 "[ . 1 . 2]" 1
2321 1 92 LEU H 1 92 LEU HB3 . . 3.440 2.631 2.536 2.740 . 0 0 "[ . 1 . 2]" 1
2322 1 92 LEU H 1 92 LEU MD1 . . 4.530 4.252 4.131 4.373 . 0 0 "[ . 1 . 2]" 1
2323 1 92 LEU H 1 92 LEU MD2 . . 4.530 4.410 4.307 4.541 0.011 16 0 "[ . 1 . 2]" 1
2324 1 92 LEU HA 1 92 LEU MD1 . . 4.220 2.108 1.937 2.388 . 0 0 "[ . 1 . 2]" 1
2325 1 92 LEU HA 1 92 LEU QD . . 2.890 2.099 1.932 2.369 . 0 0 "[ . 1 . 2]" 1
2326 1 92 LEU HA 1 92 LEU MD2 . . 4.220 3.876 3.758 3.936 . 0 0 "[ . 1 . 2]" 1
2327 1 92 LEU HA 1 92 LEU HG . . 4.020 3.007 2.816 3.226 . 0 0 "[ . 1 . 2]" 1
2328 1 92 LEU HA 1 93 SER H . . 2.800 2.150 2.138 2.178 . 0 0 "[ . 1 . 2]" 1
2329 1 92 LEU HA 1 93 SER HA . . 4.580 4.399 4.389 4.419 . 0 0 "[ . 1 . 2]" 1
2330 1 92 LEU HA 1 93 SER QB . . 4.250 4.171 4.028 4.254 0.004 14 0 "[ . 1 . 2]" 1
2331 1 92 LEU HB2 1 93 SER H . . 4.680 4.370 4.196 4.512 . 0 0 "[ . 1 . 2]" 1
2332 1 92 LEU HB3 1 92 LEU MD1 . . 3.600 3.183 3.162 3.196 . 0 0 "[ . 1 . 2]" 1
2333 1 92 LEU HB3 1 92 LEU QD . . 3.000 2.211 2.034 2.416 . 0 0 "[ . 1 . 2]" 1
2334 1 92 LEU HB3 1 92 LEU MD2 . . 3.600 2.257 2.059 2.503 . 0 0 "[ . 1 . 2]" 1
2335 1 92 LEU HB3 1 93 SER H . . 4.880 4.225 4.024 4.356 . 0 0 "[ . 1 . 2]" 1
2336 1 92 LEU HB3 1 94 VAL QG . . 4.700 4.201 3.820 4.556 . 0 0 "[ . 1 . 2]" 1
2337 1 92 LEU QD 1 93 SER H . . 3.120 2.884 2.456 3.120 0.000 15 0 "[ . 1 . 2]" 1
2338 1 92 LEU QD 1 93 SER QB . . 4.910 4.481 4.172 4.647 . 0 0 "[ . 1 . 2]" 1
2339 1 92 LEU HG 1 93 SER H . . 5.390 3.293 2.716 3.889 . 0 0 "[ . 1 . 2]" 1
2340 1 92 LEU HG 1 94 VAL H . . 5.500 4.680 4.232 5.059 . 0 0 "[ . 1 . 2]" 1
2341 1 93 SER H 1 93 SER QB . . 3.220 2.367 2.236 2.702 . 0 0 "[ . 1 . 2]" 1
2342 1 93 SER H 1 94 VAL H . . 4.770 4.397 4.211 4.511 . 0 0 "[ . 1 . 2]" 1
2343 1 93 SER HA 1 94 VAL H . . 2.810 2.158 2.139 2.210 . 0 0 "[ . 1 . 2]" 1
2344 1 93 SER QB 1 94 VAL H . . 4.080 3.388 2.989 3.856 . 0 0 "[ . 1 . 2]" 1
2345 1 94 VAL H 1 94 VAL HB . . 3.500 2.578 2.488 2.749 . 0 0 "[ . 1 . 2]" 1
2346 1 94 VAL H 1 94 VAL MG1 . . 4.240 3.821 3.766 3.899 . 0 0 "[ . 1 . 2]" 1
2347 1 94 VAL H 1 94 VAL QG . . 3.390 2.555 2.188 2.786 . 0 0 "[ . 1 . 2]" 1
2348 1 94 VAL H 1 94 VAL MG2 . . 4.240 2.599 2.201 2.870 . 0 0 "[ . 1 . 2]" 1
2349 1 94 VAL H 1 95 ASP H . . 5.010 4.398 4.208 4.488 . 0 0 "[ . 1 . 2]" 1
2350 1 94 VAL H 1 95 ASP HA . . 5.500 5.051 4.827 5.196 . 0 0 "[ . 1 . 2]" 1
2351 1 94 VAL QG 1 95 ASP H . . 3.270 2.616 2.253 2.827 . 0 0 "[ . 1 . 2]" 1
2352 1 94 VAL QG 1 95 ASP HA . . 4.560 3.585 3.368 3.812 . 0 0 "[ . 1 . 2]" 1
2353 1 94 VAL QG 1 95 ASP HB2 . . 4.950 4.530 4.405 4.696 . 0 0 "[ . 1 . 2]" 1
2354 1 94 VAL MG1 1 95 ASP H . . 4.150 2.651 2.265 2.880 . 0 0 "[ . 1 . 2]" 1
2355 1 94 VAL MG2 1 95 ASP H . . 4.150 4.048 3.864 4.160 0.010 16 0 "[ . 1 . 2]" 1
2356 1 95 ASP H 1 95 ASP HB2 . . 3.210 2.557 2.348 2.834 . 0 0 "[ . 1 . 2]" 1
2357 1 95 ASP H 1 95 ASP HB3 . . 3.730 3.420 2.841 3.749 0.019 1 0 "[ . 1 . 2]" 1
2358 1 95 ASP HA 1 96 LEU H . . 2.920 2.390 2.184 2.448 . 0 0 "[ . 1 . 2]" 1
2359 1 95 ASP HA 1 96 LEU QB . . 4.610 4.322 4.160 4.597 . 0 0 "[ . 1 . 2]" 1
2360 1 95 ASP HA 1 96 LEU QD . . 5.020 4.214 2.876 4.601 . 0 0 "[ . 1 . 2]" 1
2361 1 95 ASP HA 1 96 LEU HG . . 4.290 4.215 4.001 4.292 0.002 3 0 "[ . 1 . 2]" 1
2362 1 95 ASP HB2 1 96 LEU H . . 4.070 3.912 3.796 4.067 . 0 0 "[ . 1 . 2]" 1
2363 1 95 ASP HB3 1 96 LEU H . . 3.550 2.753 2.388 3.345 . 0 0 "[ . 1 . 2]" 1
2364 1 95 ASP HB3 1 96 LEU QB . . 5.170 4.669 4.362 5.152 . 0 0 "[ . 1 . 2]" 1
2365 1 96 LEU H 1 96 LEU QB . . 3.130 2.301 2.202 2.510 . 0 0 "[ . 1 . 2]" 1
2366 1 96 LEU H 1 96 LEU MD1 . . 4.450 3.442 1.874 4.161 . 0 0 "[ . 1 . 2]" 1
2367 1 96 LEU H 1 96 LEU QD . . 3.760 3.191 1.871 3.695 . 0 0 "[ . 1 . 2]" 1
2368 1 96 LEU H 1 96 LEU MD2 . . 4.450 4.116 3.981 4.289 . 0 0 "[ . 1 . 2]" 1
2369 1 96 LEU H 1 96 LEU HG . . 3.920 3.216 2.957 3.501 . 0 0 "[ . 1 . 2]" 1
2370 1 96 LEU HA 1 96 LEU MD1 . . 3.990 3.754 3.411 3.860 . 0 0 "[ . 1 . 2]" 1
2371 1 96 LEU HA 1 96 LEU QD . . 3.120 2.324 1.967 3.121 0.001 5 0 "[ . 1 . 2]" 1
2372 1 96 LEU HA 1 96 LEU MD2 . . 3.990 2.422 1.973 3.599 . 0 0 "[ . 1 . 2]" 1
2373 1 96 LEU HA 1 96 LEU HG . . 4.230 2.701 2.500 2.828 . 0 0 "[ . 1 . 2]" 1
2374 1 96 LEU HA 1 97 LYS H . . 3.000 2.149 2.138 2.170 . 0 0 "[ . 1 . 2]" 1
2375 1 96 LEU QD 1 97 LYS H . . 4.460 3.516 2.731 4.408 . 0 0 "[ . 1 . 2]" 1
2376 1 97 LYS H 1 97 LYS HB2 . . 3.590 2.472 2.168 3.595 0.005 6 0 "[ . 1 . 2]" 1
2377 1 97 LYS H 1 97 LYS HB3 . . 3.590 2.831 2.537 3.577 . 0 0 "[ . 1 . 2]" 1
2378 1 97 LYS H 1 97 LYS QG . . 4.130 3.624 1.972 4.106 . 0 0 "[ . 1 . 2]" 1
2379 1 97 LYS H 1 98 SER H . . 5.280 4.167 2.648 4.637 . 0 0 "[ . 1 . 2]" 1
2380 1 97 LYS HA 1 97 LYS QD . . 4.340 3.639 2.152 4.360 0.020 20 0 "[ . 1 . 2]" 1
2381 1 97 LYS HA 1 97 LYS QG . . 3.470 2.455 2.148 3.343 . 0 0 "[ . 1 . 2]" 1
2382 1 97 LYS HA 1 98 SER HA . . 4.680 4.423 4.295 4.637 . 0 0 "[ . 1 . 2]" 1
2383 1 97 LYS QE 1 97 LYS QG . . 3.450 2.209 2.052 2.557 . 0 0 "[ . 1 . 2]" 1
2384 1 98 SER H 1 98 SER QB . . 3.530 2.617 2.245 2.996 . 0 0 "[ . 1 . 2]" 1
2385 1 99 GLY QA 1 100 PRO QD . . 2.900 1.962 1.879 2.117 . 0 0 "[ . 1 . 2]" 1
2386 1 99 GLY QA 1 100 PRO QG . . 4.870 3.712 3.650 3.920 . 0 0 "[ . 1 . 2]" 1
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