NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
454467 |
2yuv   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2yuv
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 1896
_Distance_constraint_stats_list.Viol_count 446
_Distance_constraint_stats_list.Viol_total 62.087
_Distance_constraint_stats_list.Viol_max 0.081
_Distance_constraint_stats_list.Viol_rms 0.0014
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0070
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ALA 0.220 0.067 10 0 "[ . 1 . 2]"
1 9 ALA 0.223 0.067 10 0 "[ . 1 . 2]"
1 10 PHE 0.085 0.025 17 0 "[ . 1 . 2]"
1 11 ALA 0.022 0.015 13 0 "[ . 1 . 2]"
1 12 LYS 0.093 0.033 13 0 "[ . 1 . 2]"
1 13 ILE 0.137 0.029 15 0 "[ . 1 . 2]"
1 14 LEU 0.281 0.036 12 0 "[ . 1 . 2]"
1 15 ASP 0.027 0.016 13 0 "[ . 1 . 2]"
1 16 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ALA 0.013 0.009 4 0 "[ . 1 . 2]"
1 18 TYR 0.036 0.009 15 0 "[ . 1 . 2]"
1 19 GLN 0.027 0.009 3 0 "[ . 1 . 2]"
1 20 VAL 0.149 0.018 15 0 "[ . 1 . 2]"
1 21 ASP 0.011 0.004 4 0 "[ . 1 . 2]"
1 22 LYS 0.013 0.008 4 0 "[ . 1 . 2]"
1 23 GLY 0.019 0.008 4 0 "[ . 1 . 2]"
1 24 GLY 0.026 0.008 14 0 "[ . 1 . 2]"
1 25 ARG 0.017 0.007 4 0 "[ . 1 . 2]"
1 26 VAL 0.038 0.009 3 0 "[ . 1 . 2]"
1 27 ARG 0.122 0.018 15 0 "[ . 1 . 2]"
1 28 PHE 0.159 0.028 19 0 "[ . 1 . 2]"
1 29 VAL 0.080 0.032 20 0 "[ . 1 . 2]"
1 30 VAL 0.065 0.015 20 0 "[ . 1 . 2]"
1 31 GLU 0.133 0.033 13 0 "[ . 1 . 2]"
1 32 LEU 0.017 0.011 19 0 "[ . 1 . 2]"
1 33 ALA 0.003 0.002 7 0 "[ . 1 . 2]"
1 34 ASP 0.030 0.018 20 0 "[ . 1 . 2]"
1 35 PRO 0.005 0.003 20 0 "[ . 1 . 2]"
1 36 LYS 0.302 0.077 14 0 "[ . 1 . 2]"
1 37 LEU 0.040 0.019 6 0 "[ . 1 . 2]"
1 38 GLU 0.078 0.031 2 0 "[ . 1 . 2]"
1 39 VAL 0.038 0.009 19 0 "[ . 1 . 2]"
1 40 LYS 0.051 0.026 19 0 "[ . 1 . 2]"
1 41 TRP 0.088 0.026 19 0 "[ . 1 . 2]"
1 42 TYR 0.018 0.006 17 0 "[ . 1 . 2]"
1 43 LYS 0.143 0.079 19 0 "[ . 1 . 2]"
1 44 ASN 0.020 0.007 19 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLN 0.151 0.081 17 0 "[ . 1 . 2]"
1 47 GLU 0.006 0.002 17 0 "[ . 1 . 2]"
1 48 ILE 0.020 0.014 4 0 "[ . 1 . 2]"
1 49 ARG 0.002 0.001 8 0 "[ . 1 . 2]"
1 50 PRO 0.000 0.000 11 0 "[ . 1 . 2]"
1 51 SER 0.003 0.002 6 0 "[ . 1 . 2]"
1 52 THR 0.001 0.001 11 0 "[ . 1 . 2]"
1 53 LYS 0.011 0.003 15 0 "[ . 1 . 2]"
1 54 TYR 0.036 0.008 18 0 "[ . 1 . 2]"
1 55 ILE 0.036 0.011 18 0 "[ . 1 . 2]"
1 56 PHE 0.020 0.011 18 0 "[ . 1 . 2]"
1 57 GLU 0.003 0.003 19 0 "[ . 1 . 2]"
1 58 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LYS 0.040 0.024 19 0 "[ . 1 . 2]"
1 60 GLY 0.011 0.009 19 0 "[ . 1 . 2]"
1 61 CYS 0.056 0.028 12 0 "[ . 1 . 2]"
1 62 GLN 0.111 0.030 19 0 "[ . 1 . 2]"
1 63 ARG 0.017 0.012 16 0 "[ . 1 . 2]"
1 64 ILE 0.062 0.012 16 0 "[ . 1 . 2]"
1 65 LEU 0.078 0.011 4 0 "[ . 1 . 2]"
1 66 PHE 0.008 0.003 12 0 "[ . 1 . 2]"
1 67 ILE 0.110 0.028 19 0 "[ . 1 . 2]"
1 68 ASN 0.017 0.006 14 0 "[ . 1 . 2]"
1 69 ASN 0.033 0.008 1 0 "[ . 1 . 2]"
1 70 CYS 0.033 0.007 4 0 "[ . 1 . 2]"
1 71 GLN 0.049 0.019 7 0 "[ . 1 . 2]"
1 72 MET 0.019 0.007 17 0 "[ . 1 . 2]"
1 73 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ASP 0.074 0.017 4 0 "[ . 1 . 2]"
1 75 ASP 0.080 0.015 7 0 "[ . 1 . 2]"
1 76 SER 0.033 0.017 19 0 "[ . 1 . 2]"
1 77 GLU 0.025 0.007 15 0 "[ . 1 . 2]"
1 78 TYR 0.034 0.007 14 0 "[ . 1 . 2]"
1 79 TYR 0.021 0.005 15 0 "[ . 1 . 2]"
1 80 VAL 0.034 0.007 13 0 "[ . 1 . 2]"
1 81 THR 0.020 0.007 4 0 "[ . 1 . 2]"
1 82 ALA 0.005 0.001 13 0 "[ . 1 . 2]"
1 83 GLY 0.001 0.001 16 0 "[ . 1 . 2]"
1 84 ASP 0.012 0.009 12 0 "[ . 1 . 2]"
1 85 GLU 0.024 0.009 12 0 "[ . 1 . 2]"
1 86 LYS 0.044 0.028 14 0 "[ . 1 . 2]"
1 87 CYS 0.145 0.028 14 0 "[ . 1 . 2]"
1 88 SER 0.089 0.021 17 0 "[ . 1 . 2]"
1 89 THR 0.014 0.004 19 0 "[ . 1 . 2]"
1 90 GLU 0.158 0.036 20 0 "[ . 1 . 2]"
1 91 LEU 0.179 0.032 7 0 "[ . 1 . 2]"
1 92 PHE 0.022 0.005 7 0 "[ . 1 . 2]"
1 93 VAL 0.127 0.032 7 0 "[ . 1 . 2]"
1 94 ARG 0.027 0.022 8 0 "[ . 1 . 2]"
1 95 SER 0.023 0.022 8 0 "[ . 1 . 2]"
1 96 GLY 0.070 0.070 11 0 "[ . 1 . 2]"
1 97 PRO 0.070 0.070 11 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 GLY H 1 8 ALA H . . 4.140 3.189 1.828 4.125 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY QA 1 8 ALA H . . 2.850 2.343 2.109 2.805 . 0 0 "[ . 1 . 2]" 1
3 1 7 GLY QA 1 8 ALA MB . . 4.500 3.738 3.500 4.028 . 0 0 "[ . 1 . 2]" 1
4 1 8 ALA H 1 8 ALA MB . . 2.920 2.785 2.475 2.902 . 0 0 "[ . 1 . 2]" 1
5 1 8 ALA H 1 9 ALA H . . 3.970 3.610 2.618 3.969 . 0 0 "[ . 1 . 2]" 1
6 1 8 ALA H 1 9 ALA MB . . 4.700 4.364 4.187 4.660 . 0 0 "[ . 1 . 2]" 1
7 1 8 ALA H 1 85 GLU QG . . 4.810 3.741 2.064 4.761 . 0 0 "[ . 1 . 2]" 1
8 1 8 ALA HA 1 9 ALA H . . 2.820 2.315 2.141 2.830 0.010 3 0 "[ . 1 . 2]" 1
9 1 8 ALA HA 1 9 ALA MB . . 4.560 4.105 3.904 4.482 . 0 0 "[ . 1 . 2]" 1
10 1 8 ALA HA 1 10 PHE H . . 4.050 3.559 3.107 3.866 . 0 0 "[ . 1 . 2]" 1
11 1 8 ALA MB 1 9 ALA H . . 3.640 3.393 3.150 3.707 0.067 10 0 "[ . 1 . 2]" 1
12 1 8 ALA MB 1 9 ALA MB . . 4.800 4.571 4.447 4.719 . 0 0 "[ . 1 . 2]" 1
13 1 8 ALA MB 1 10 PHE H . . 4.310 4.010 3.734 4.296 . 0 0 "[ . 1 . 2]" 1
14 1 9 ALA H 1 9 ALA MB . . 2.880 2.313 2.044 2.517 . 0 0 "[ . 1 . 2]" 1
15 1 9 ALA H 1 10 PHE H . . 2.880 2.181 1.823 2.715 . 0 0 "[ . 1 . 2]" 1
16 1 9 ALA H 1 10 PHE HB2 . . 4.820 4.271 3.850 4.795 . 0 0 "[ . 1 . 2]" 1
17 1 9 ALA H 1 10 PHE QD . . 4.730 4.342 3.844 4.730 . 8 0 "[ . 1 . 2]" 1
18 1 9 ALA H 1 33 ALA MB . . 4.970 4.626 4.185 4.920 . 0 0 "[ . 1 . 2]" 1
19 1 9 ALA H 1 82 ALA MB . . 5.500 5.349 5.157 5.496 . 0 0 "[ . 1 . 2]" 1
20 1 9 ALA H 1 85 GLU HB2 . . 4.630 3.116 2.658 3.694 . 0 0 "[ . 1 . 2]" 1
21 1 9 ALA H 1 85 GLU QG . . 4.210 2.324 1.890 3.397 . 0 0 "[ . 1 . 2]" 1
22 1 9 ALA HA 1 33 ALA H . . 4.700 3.787 3.432 3.996 . 0 0 "[ . 1 . 2]" 1
23 1 9 ALA HA 1 33 ALA MB . . 3.900 2.778 2.420 3.132 . 0 0 "[ . 1 . 2]" 1
24 1 9 ALA HA 1 34 ASP H . . 4.940 4.777 4.486 4.938 . 0 0 "[ . 1 . 2]" 1
25 1 9 ALA HA 1 37 LEU QD . . 4.160 2.516 1.949 3.146 . 0 0 "[ . 1 . 2]" 1
26 1 9 ALA HA 1 82 ALA MB . . 5.500 4.849 4.381 5.170 . 0 0 "[ . 1 . 2]" 1
27 1 9 ALA MB 1 10 PHE H . . 3.120 2.790 2.515 2.976 . 0 0 "[ . 1 . 2]" 1
28 1 9 ALA MB 1 10 PHE QD . . 3.960 3.310 3.125 3.544 . 0 0 "[ . 1 . 2]" 1
29 1 9 ALA MB 1 10 PHE QE . . 4.330 4.011 3.753 4.276 . 0 0 "[ . 1 . 2]" 1
30 1 9 ALA MB 1 11 ALA H . . 5.500 5.369 5.214 5.498 . 0 0 "[ . 1 . 2]" 1
31 1 9 ALA MB 1 33 ALA H . . 5.060 4.435 4.199 4.801 . 0 0 "[ . 1 . 2]" 1
32 1 9 ALA MB 1 82 ALA H . . 4.440 4.306 4.077 4.430 . 0 0 "[ . 1 . 2]" 1
33 1 9 ALA MB 1 82 ALA MB . . 3.270 2.704 2.427 2.905 . 0 0 "[ . 1 . 2]" 1
34 1 9 ALA MB 1 83 GLY H . . 5.060 4.545 4.266 5.015 . 0 0 "[ . 1 . 2]" 1
35 1 9 ALA MB 1 83 GLY HA2 . . 5.090 4.481 4.128 5.072 . 0 0 "[ . 1 . 2]" 1
36 1 9 ALA MB 1 83 GLY HA3 . . 4.140 3.043 2.694 3.666 . 0 0 "[ . 1 . 2]" 1
37 1 9 ALA MB 1 85 GLU H . . 3.830 3.161 2.741 3.781 . 0 0 "[ . 1 . 2]" 1
38 1 9 ALA MB 1 85 GLU HB2 . . 3.510 2.146 1.868 2.578 . 0 0 "[ . 1 . 2]" 1
39 1 9 ALA MB 1 85 GLU HB3 . . 4.140 3.585 3.240 3.991 . 0 0 "[ . 1 . 2]" 1
40 1 9 ALA MB 1 85 GLU QG . . 3.740 2.661 2.114 3.207 . 0 0 "[ . 1 . 2]" 1
41 1 9 ALA MB 1 86 LYS H . . 5.500 5.288 5.034 5.502 0.002 4 0 "[ . 1 . 2]" 1
42 1 10 PHE H 1 10 PHE HB2 . . 3.030 2.330 2.278 2.382 . 0 0 "[ . 1 . 2]" 1
43 1 10 PHE H 1 10 PHE HB3 . . 3.590 3.581 3.534 3.615 0.025 17 0 "[ . 1 . 2]" 1
44 1 10 PHE H 1 10 PHE QD . . 3.280 3.109 2.785 3.279 . 0 0 "[ . 1 . 2]" 1
45 1 10 PHE H 1 10 PHE QE . . 5.390 5.088 4.790 5.286 . 0 0 "[ . 1 . 2]" 1
46 1 10 PHE H 1 11 ALA H . . 4.690 4.309 4.165 4.456 . 0 0 "[ . 1 . 2]" 1
47 1 10 PHE H 1 13 ILE MG . . 4.990 4.742 4.348 4.994 0.004 13 0 "[ . 1 . 2]" 1
48 1 10 PHE H 1 33 ALA MB . . 4.720 4.492 4.060 4.654 . 0 0 "[ . 1 . 2]" 1
49 1 10 PHE H 1 85 GLU HB2 . . 4.910 3.472 3.097 3.817 . 0 0 "[ . 1 . 2]" 1
50 1 10 PHE H 1 85 GLU QG . . 4.670 3.638 2.857 4.666 . 0 0 "[ . 1 . 2]" 1
51 1 10 PHE HB2 1 11 ALA H . . 4.570 4.475 4.339 4.552 . 0 0 "[ . 1 . 2]" 1
52 1 10 PHE HB2 1 12 LYS H . . 4.900 4.683 4.432 4.852 . 0 0 "[ . 1 . 2]" 1
53 1 10 PHE HB2 1 13 ILE MG . . 3.490 2.914 2.549 3.224 . 0 0 "[ . 1 . 2]" 1
54 1 10 PHE HB3 1 11 ALA H . . 3.880 3.644 3.370 3.840 . 0 0 "[ . 1 . 2]" 1
55 1 10 PHE HB3 1 12 LYS H . . 3.670 3.190 3.002 3.379 . 0 0 "[ . 1 . 2]" 1
56 1 10 PHE HB3 1 13 ILE H . . 5.130 4.172 3.951 4.581 . 0 0 "[ . 1 . 2]" 1
57 1 10 PHE HB3 1 13 ILE HA . . 4.510 3.480 3.240 3.734 . 0 0 "[ . 1 . 2]" 1
58 1 10 PHE HB3 1 13 ILE MG . . 3.520 2.474 2.189 2.650 . 0 0 "[ . 1 . 2]" 1
59 1 10 PHE QD 1 11 ALA H . . 4.090 3.889 3.689 4.055 . 0 0 "[ . 1 . 2]" 1
60 1 10 PHE QD 1 12 LYS H . . 4.280 3.800 3.552 4.149 . 0 0 "[ . 1 . 2]" 1
61 1 10 PHE QD 1 13 ILE HA . . 4.740 4.118 3.888 4.306 . 0 0 "[ . 1 . 2]" 1
62 1 10 PHE QD 1 13 ILE MG . . 3.840 3.720 3.554 3.846 0.006 13 0 "[ . 1 . 2]" 1
63 1 10 PHE QD 1 30 VAL HB . . 3.640 2.779 2.510 3.037 . 0 0 "[ . 1 . 2]" 1
64 1 10 PHE QD 1 30 VAL MG1 . . 4.140 3.863 3.503 4.103 . 0 0 "[ . 1 . 2]" 1
65 1 10 PHE QD 1 30 VAL MG2 . . 3.990 3.611 2.885 3.989 . 0 0 "[ . 1 . 2]" 1
66 1 10 PHE QD 1 31 GLU H . . 4.190 3.711 2.935 4.065 . 0 0 "[ . 1 . 2]" 1
67 1 10 PHE QD 1 32 LEU MD2 . . 3.740 2.872 2.454 3.374 . 0 0 "[ . 1 . 2]" 1
68 1 10 PHE QD 1 33 ALA H . . 5.500 5.367 5.149 5.497 . 0 0 "[ . 1 . 2]" 1
69 1 10 PHE QD 1 80 VAL MG1 . . 4.420 3.705 3.579 3.859 . 0 0 "[ . 1 . 2]" 1
70 1 10 PHE QD 1 80 VAL MG2 . . 5.460 4.647 4.423 4.800 . 0 0 "[ . 1 . 2]" 1
71 1 10 PHE QD 1 82 ALA MB . . 4.600 3.254 3.072 3.456 . 0 0 "[ . 1 . 2]" 1
72 1 10 PHE QD 1 85 GLU HB2 . . 4.290 2.742 2.370 3.202 . 0 0 "[ . 1 . 2]" 1
73 1 10 PHE QD 1 85 GLU HB3 . . 3.930 2.727 2.147 3.082 . 0 0 "[ . 1 . 2]" 1
74 1 10 PHE QD 1 86 LYS H . . 4.950 3.803 3.588 4.026 . 0 0 "[ . 1 . 2]" 1
75 1 10 PHE QE 1 30 VAL HB . . 4.160 3.108 2.706 3.553 . 0 0 "[ . 1 . 2]" 1
76 1 10 PHE QE 1 30 VAL MG1 . . 3.870 3.593 3.147 3.839 . 0 0 "[ . 1 . 2]" 1
77 1 10 PHE QE 1 30 VAL MG2 . . 3.480 2.653 1.986 3.076 . 0 0 "[ . 1 . 2]" 1
78 1 10 PHE QE 1 32 LEU MD2 . . 3.770 2.508 2.129 2.926 . 0 0 "[ . 1 . 2]" 1
79 1 10 PHE QE 1 32 LEU HG . . 5.290 4.435 3.990 4.944 . 0 0 "[ . 1 . 2]" 1
80 1 10 PHE QE 1 80 VAL MG1 . . 3.730 2.377 2.038 2.648 . 0 0 "[ . 1 . 2]" 1
81 1 10 PHE QE 1 81 THR HA . . 4.280 2.715 2.451 3.001 . 0 0 "[ . 1 . 2]" 1
82 1 10 PHE QE 1 82 ALA H . . 3.620 2.211 1.962 2.505 . 0 0 "[ . 1 . 2]" 1
83 1 10 PHE QE 1 82 ALA MB . . 3.920 2.467 2.365 2.643 . 0 0 "[ . 1 . 2]" 1
84 1 10 PHE QE 1 85 GLU H . . 4.730 4.262 3.973 4.483 . 0 0 "[ . 1 . 2]" 1
85 1 10 PHE QE 1 85 GLU HB2 . . 4.180 3.746 3.324 3.966 . 0 0 "[ . 1 . 2]" 1
86 1 10 PHE QE 1 85 GLU HB3 . . 4.220 4.052 3.746 4.211 . 0 0 "[ . 1 . 2]" 1
87 1 10 PHE QE 1 86 LYS H . . 4.050 3.955 3.634 4.051 0.001 17 0 "[ . 1 . 2]" 1
88 1 10 PHE QE 1 86 LYS HA . . 3.830 2.045 1.997 2.128 . 0 0 "[ . 1 . 2]" 1
89 1 10 PHE QE 1 87 CYS H . . 4.210 3.788 3.517 3.987 . 0 0 "[ . 1 . 2]" 1
90 1 10 PHE HZ 1 80 VAL MG1 . . 3.980 2.448 2.083 2.870 . 0 0 "[ . 1 . 2]" 1
91 1 10 PHE HZ 1 80 VAL MG2 . . 4.050 2.210 1.973 2.558 . 0 0 "[ . 1 . 2]" 1
92 1 10 PHE HZ 1 81 THR HA . . 4.900 3.177 2.860 3.439 . 0 0 "[ . 1 . 2]" 1
93 1 10 PHE HZ 1 82 ALA MB . . 4.100 2.201 1.944 2.568 . 0 0 "[ . 1 . 2]" 1
94 1 11 ALA H 1 11 ALA MB . . 3.040 2.131 2.043 2.248 . 0 0 "[ . 1 . 2]" 1
95 1 11 ALA H 1 12 LYS H . . 2.760 2.496 2.323 2.633 . 0 0 "[ . 1 . 2]" 1
96 1 11 ALA H 1 12 LYS QB . . 4.770 4.605 4.446 4.785 0.015 13 0 "[ . 1 . 2]" 1
97 1 11 ALA H 1 31 GLU H . . 4.650 4.409 4.199 4.649 . 0 0 "[ . 1 . 2]" 1
98 1 11 ALA H 1 31 GLU HB2 . . 4.910 4.469 3.828 4.913 0.003 4 0 "[ . 1 . 2]" 1
99 1 11 ALA H 1 31 GLU HB3 . . 4.910 3.339 2.997 3.814 . 0 0 "[ . 1 . 2]" 1
100 1 11 ALA H 1 32 LEU HB3 . . 5.200 4.891 4.477 5.196 . 0 0 "[ . 1 . 2]" 1
101 1 11 ALA H 1 32 LEU MD2 . . 4.500 4.221 3.689 4.496 . 0 0 "[ . 1 . 2]" 1
102 1 11 ALA H 1 33 ALA H . . 3.810 2.871 2.518 3.180 . 0 0 "[ . 1 . 2]" 1
103 1 11 ALA H 1 33 ALA HA . . 4.820 4.381 4.129 4.680 . 0 0 "[ . 1 . 2]" 1
104 1 11 ALA H 1 33 ALA MB . . 4.190 3.905 3.669 4.139 . 0 0 "[ . 1 . 2]" 1
105 1 11 ALA HA 1 33 ALA H . . 4.990 4.533 4.083 4.840 . 0 0 "[ . 1 . 2]" 1
106 1 11 ALA HA 1 33 ALA MB . . 4.150 3.978 3.585 4.152 0.002 7 0 "[ . 1 . 2]" 1
107 1 11 ALA MB 1 12 LYS H . . 3.160 2.878 2.718 3.050 . 0 0 "[ . 1 . 2]" 1
108 1 11 ALA MB 1 12 LYS QB . . 4.030 3.232 3.094 3.383 . 0 0 "[ . 1 . 2]" 1
109 1 11 ALA MB 1 12 LYS QG . . 5.500 4.853 3.145 5.080 . 0 0 "[ . 1 . 2]" 1
110 1 11 ALA MB 1 31 GLU H . . 4.630 4.314 3.970 4.631 0.001 12 0 "[ . 1 . 2]" 1
111 1 11 ALA MB 1 31 GLU HB2 . . 3.700 3.114 2.393 3.664 . 0 0 "[ . 1 . 2]" 1
112 1 11 ALA MB 1 31 GLU HB3 . . 3.700 2.051 1.796 2.354 . 0 0 "[ . 1 . 2]" 1
113 1 11 ALA MB 1 31 GLU QG . . 3.920 2.793 2.109 3.769 . 0 0 "[ . 1 . 2]" 1
114 1 11 ALA MB 1 32 LEU HB3 . . 5.500 5.189 4.690 5.479 . 0 0 "[ . 1 . 2]" 1
115 1 11 ALA MB 1 33 ALA H . . 4.440 3.158 2.705 3.463 . 0 0 "[ . 1 . 2]" 1
116 1 11 ALA MB 1 33 ALA HA . . 3.460 2.782 2.537 3.032 . 0 0 "[ . 1 . 2]" 1
117 1 12 LYS H 1 12 LYS QB . . 3.210 2.728 2.619 2.809 . 0 0 "[ . 1 . 2]" 1
118 1 12 LYS H 1 12 LYS QG . . 4.440 4.168 3.665 4.333 . 0 0 "[ . 1 . 2]" 1
119 1 12 LYS H 1 13 ILE MG . . 4.300 4.150 4.023 4.270 . 0 0 "[ . 1 . 2]" 1
120 1 12 LYS H 1 30 VAL HA . . 5.170 4.811 4.451 5.029 . 0 0 "[ . 1 . 2]" 1
121 1 12 LYS H 1 30 VAL HB . . 5.180 4.701 4.046 5.181 0.001 20 0 "[ . 1 . 2]" 1
122 1 12 LYS H 1 31 GLU H . . 3.350 2.874 2.520 3.069 . 0 0 "[ . 1 . 2]" 1
123 1 12 LYS H 1 31 GLU HA . . 4.880 4.623 4.356 4.868 . 0 0 "[ . 1 . 2]" 1
124 1 12 LYS H 1 31 GLU HB2 . . 3.670 3.187 2.533 3.673 0.003 17 0 "[ . 1 . 2]" 1
125 1 12 LYS H 1 31 GLU QB . . 3.210 2.399 1.952 2.766 . 0 0 "[ . 1 . 2]" 1
126 1 12 LYS H 1 31 GLU HB3 . . 3.670 2.803 1.965 3.678 0.008 13 0 "[ . 1 . 2]" 1
127 1 12 LYS H 1 31 GLU QG . . 5.060 4.426 3.898 4.845 . 0 0 "[ . 1 . 2]" 1
128 1 12 LYS H 1 33 ALA H . . 5.500 5.341 4.943 5.501 0.001 1 0 "[ . 1 . 2]" 1
129 1 12 LYS HA 1 12 LYS QG . . 3.640 2.539 2.160 2.919 . 0 0 "[ . 1 . 2]" 1
130 1 12 LYS HA 1 13 ILE H . . 2.690 2.162 2.149 2.259 . 0 0 "[ . 1 . 2]" 1
131 1 12 LYS HA 1 13 ILE QG . . 4.590 3.821 3.688 3.964 . 0 0 "[ . 1 . 2]" 1
132 1 12 LYS HA 1 13 ILE MG . . 4.420 3.903 3.772 4.036 . 0 0 "[ . 1 . 2]" 1
133 1 12 LYS HA 1 31 GLU H . . 5.020 4.579 4.217 4.937 . 0 0 "[ . 1 . 2]" 1
134 1 12 LYS QB 1 13 ILE H . . 4.030 3.882 3.293 3.995 . 0 0 "[ . 1 . 2]" 1
135 1 12 LYS QB 1 30 VAL HA . . 4.480 3.499 2.832 4.077 . 0 0 "[ . 1 . 2]" 1
136 1 12 LYS QB 1 31 GLU H . . 3.250 2.479 2.045 3.123 . 0 0 "[ . 1 . 2]" 1
137 1 12 LYS QB 1 31 GLU HB2 . . 3.620 1.978 1.835 2.219 . 0 0 "[ . 1 . 2]" 1
138 1 12 LYS QB 1 31 GLU QB . . 3.100 1.917 1.734 2.198 . 0 0 "[ . 1 . 2]" 1
139 1 12 LYS QB 1 31 GLU HB3 . . 3.620 2.808 2.134 3.653 0.033 13 0 "[ . 1 . 2]" 1
140 1 12 LYS QB 1 31 GLU QG . . 3.800 3.483 3.106 3.802 0.002 17 0 "[ . 1 . 2]" 1
141 1 12 LYS QG 1 13 ILE H . . 3.620 3.325 3.156 3.643 0.023 13 0 "[ . 1 . 2]" 1
142 1 12 LYS QG 1 31 GLU H . . 4.540 4.055 2.705 4.546 0.006 13 0 "[ . 1 . 2]" 1
143 1 13 ILE H 1 13 ILE HB . . 4.010 3.635 3.620 3.674 . 0 0 "[ . 1 . 2]" 1
144 1 13 ILE H 1 13 ILE MD . . 3.850 3.730 3.472 3.850 0.000 5 0 "[ . 1 . 2]" 1
145 1 13 ILE H 1 13 ILE HG12 . . 3.180 2.386 2.075 3.209 0.029 15 0 "[ . 1 . 2]" 1
146 1 13 ILE H 1 13 ILE QG . . 2.730 2.075 1.884 2.204 . 0 0 "[ . 1 . 2]" 1
147 1 13 ILE H 1 13 ILE HG13 . . 3.180 2.642 1.898 2.944 . 0 0 "[ . 1 . 2]" 1
148 1 13 ILE H 1 13 ILE MG . . 3.260 2.430 2.186 2.669 . 0 0 "[ . 1 . 2]" 1
149 1 13 ILE H 1 14 LEU H . . 4.790 4.594 4.549 4.621 . 0 0 "[ . 1 . 2]" 1
150 1 13 ILE HA 1 13 ILE MD . . 4.180 4.046 3.653 4.156 . 0 0 "[ . 1 . 2]" 1
151 1 13 ILE HA 1 13 ILE MG . . 3.050 2.329 2.211 2.419 . 0 0 "[ . 1 . 2]" 1
152 1 13 ILE HA 1 14 LEU H . . 3.150 2.407 2.269 2.534 . 0 0 "[ . 1 . 2]" 1
153 1 13 ILE HA 1 14 LEU MD1 . . 4.720 3.972 2.956 4.726 0.006 3 0 "[ . 1 . 2]" 1
154 1 13 ILE HA 1 14 LEU HG . . 4.690 3.951 3.592 4.690 0.000 15 0 "[ . 1 . 2]" 1
155 1 13 ILE HA 1 30 VAL HB . . 4.560 4.091 3.637 4.559 . 0 0 "[ . 1 . 2]" 1
156 1 13 ILE HA 1 30 VAL MG1 . . 3.550 3.201 2.716 3.553 0.003 15 0 "[ . 1 . 2]" 1
157 1 13 ILE HB 1 13 ILE MD . . 3.290 2.207 2.068 2.309 . 0 0 "[ . 1 . 2]" 1
158 1 13 ILE HB 1 14 LEU H . . 2.890 2.390 2.105 2.740 . 0 0 "[ . 1 . 2]" 1
159 1 13 ILE HB 1 87 CYS HB2 . . 4.060 3.015 2.212 3.520 . 0 0 "[ . 1 . 2]" 1
160 1 13 ILE HB 1 87 CYS QB . . 3.570 2.649 1.987 3.047 . 0 0 "[ . 1 . 2]" 1
161 1 13 ILE HB 1 87 CYS HB3 . . 4.060 3.033 1.998 3.386 . 0 0 "[ . 1 . 2]" 1
162 1 13 ILE HB 1 88 SER H . . 5.500 4.851 3.571 5.369 . 0 0 "[ . 1 . 2]" 1
163 1 13 ILE MD 1 14 LEU H . . 4.260 3.763 3.109 4.263 0.003 13 0 "[ . 1 . 2]" 1
164 1 13 ILE MD 1 87 CYS HB2 . . 4.510 3.899 3.255 4.533 0.023 15 0 "[ . 1 . 2]" 1
165 1 13 ILE MD 1 87 CYS QB . . 3.830 3.468 3.011 3.809 . 0 0 "[ . 1 . 2]" 1
166 1 13 ILE MD 1 87 CYS HB3 . . 4.510 4.029 3.301 4.481 . 0 0 "[ . 1 . 2]" 1
167 1 13 ILE MD 1 88 SER H . . 5.120 4.648 3.620 5.092 . 0 0 "[ . 1 . 2]" 1
168 1 13 ILE QG 1 14 LEU H . . 4.690 3.664 3.266 4.186 . 0 0 "[ . 1 . 2]" 1
169 1 13 ILE MG 1 14 LEU H . . 3.960 3.681 3.552 3.857 . 0 0 "[ . 1 . 2]" 1
170 1 13 ILE MG 1 87 CYS H . . 5.460 4.815 4.517 5.250 . 0 0 "[ . 1 . 2]" 1
171 1 13 ILE MG 1 87 CYS HB2 . . 3.980 2.734 1.982 3.875 . 0 0 "[ . 1 . 2]" 1
172 1 13 ILE MG 1 87 CYS QB . . 3.450 2.260 1.949 3.166 . 0 0 "[ . 1 . 2]" 1
173 1 13 ILE MG 1 87 CYS HB3 . . 3.980 2.804 1.979 3.846 . 0 0 "[ . 1 . 2]" 1
174 1 13 ILE MG 1 88 SER H . . 5.500 5.044 4.356 5.501 0.001 20 0 "[ . 1 . 2]" 1
175 1 14 LEU H 1 14 LEU QB . . 3.610 2.505 2.444 2.589 . 0 0 "[ . 1 . 2]" 1
176 1 14 LEU H 1 14 LEU MD1 . . 3.880 2.587 1.838 3.218 . 0 0 "[ . 1 . 2]" 1
177 1 14 LEU H 1 14 LEU MD2 . . 4.240 3.790 3.552 4.061 . 0 0 "[ . 1 . 2]" 1
178 1 14 LEU H 1 14 LEU HG . . 3.000 2.516 2.064 3.036 0.036 12 0 "[ . 1 . 2]" 1
179 1 14 LEU H 1 15 ASP H . . 4.840 4.604 4.536 4.636 . 0 0 "[ . 1 . 2]" 1
180 1 14 LEU H 1 30 VAL MG1 . . 3.440 3.116 2.812 3.443 0.003 11 0 "[ . 1 . 2]" 1
181 1 14 LEU H 1 87 CYS HB2 . . 4.460 3.926 3.294 4.459 . 0 0 "[ . 1 . 2]" 1
182 1 14 LEU H 1 87 CYS QB . . 3.890 3.320 2.850 3.670 . 0 0 "[ . 1 . 2]" 1
183 1 14 LEU H 1 87 CYS HB3 . . 4.460 3.776 3.025 4.460 0.000 13 0 "[ . 1 . 2]" 1
184 1 14 LEU HA 1 14 LEU MD1 . . 4.470 3.741 3.369 3.970 . 0 0 "[ . 1 . 2]" 1
185 1 14 LEU HA 1 14 LEU MD2 . . 3.480 2.981 2.494 3.505 0.025 9 0 "[ . 1 . 2]" 1
186 1 14 LEU HA 1 15 ASP H . . 2.900 2.323 2.183 2.573 . 0 0 "[ . 1 . 2]" 1
187 1 14 LEU HA 1 18 TYR QE . . 4.390 3.944 3.518 4.236 . 0 0 "[ . 1 . 2]" 1
188 1 14 LEU HA 1 29 VAL H . . 5.120 4.761 4.549 5.012 . 0 0 "[ . 1 . 2]" 1
189 1 14 LEU QB 1 14 LEU MD1 . . 3.250 2.025 1.931 2.117 . 0 0 "[ . 1 . 2]" 1
190 1 14 LEU QB 1 15 ASP H . . 3.200 2.597 2.063 2.986 . 0 0 "[ . 1 . 2]" 1
191 1 14 LEU QB 1 18 TYR QE . . 3.440 2.423 2.108 2.656 . 0 0 "[ . 1 . 2]" 1
192 1 14 LEU QB 1 89 THR HB . . 3.470 2.298 1.999 2.578 . 0 0 "[ . 1 . 2]" 1
193 1 14 LEU HB2 1 15 ASP H . . 3.970 3.691 3.238 3.976 0.006 15 0 "[ . 1 . 2]" 1
194 1 14 LEU HB2 1 18 TYR QE . . 3.960 3.572 3.224 3.941 . 0 0 "[ . 1 . 2]" 1
195 1 14 LEU HB2 1 89 THR HB . . 3.960 2.388 2.055 2.689 . 0 0 "[ . 1 . 2]" 1
196 1 14 LEU HB2 1 89 THR MG . . 4.250 3.061 2.763 3.384 . 0 0 "[ . 1 . 2]" 1
197 1 14 LEU HB3 1 15 ASP H . . 3.970 2.656 2.087 3.087 . 0 0 "[ . 1 . 2]" 1
198 1 14 LEU HB3 1 18 TYR QE . . 3.960 2.467 2.123 2.714 . 0 0 "[ . 1 . 2]" 1
199 1 14 LEU HB3 1 89 THR HB . . 3.960 3.032 2.526 3.451 . 0 0 "[ . 1 . 2]" 1
200 1 14 LEU HB3 1 89 THR MG . . 4.250 2.988 2.361 3.492 . 0 0 "[ . 1 . 2]" 1
201 1 14 LEU MD1 1 15 ASP H . . 5.160 4.882 4.622 5.144 . 0 0 "[ . 1 . 2]" 1
202 1 14 LEU MD1 1 18 TYR QE . . 5.170 4.534 4.109 4.893 . 0 0 "[ . 1 . 2]" 1
203 1 14 LEU MD1 1 28 PHE HB3 . . 4.870 3.921 3.320 4.633 . 0 0 "[ . 1 . 2]" 1
204 1 14 LEU MD1 1 28 PHE QD . . 4.830 4.127 2.763 4.812 . 0 0 "[ . 1 . 2]" 1
205 1 14 LEU MD1 1 41 TRP HZ3 . . 4.050 3.430 2.670 4.048 . 0 0 "[ . 1 . 2]" 1
206 1 14 LEU MD1 1 79 TYR HA . . 4.270 3.660 3.176 4.212 . 0 0 "[ . 1 . 2]" 1
207 1 14 LEU MD1 1 79 TYR QB . . 5.500 4.910 4.478 5.309 . 0 0 "[ . 1 . 2]" 1
208 1 14 LEU MD1 1 80 VAL H . . 4.110 3.282 2.773 3.681 . 0 0 "[ . 1 . 2]" 1
209 1 14 LEU MD1 1 80 VAL MG2 . . 4.150 4.096 3.903 4.156 0.006 13 0 "[ . 1 . 2]" 1
210 1 14 LEU MD1 1 88 SER H . . 4.840 4.471 3.633 4.840 . 0 0 "[ . 1 . 2]" 1
211 1 14 LEU MD1 1 88 SER HA . . 4.100 3.765 3.223 4.102 0.002 17 0 "[ . 1 . 2]" 1
212 1 14 LEU MD1 1 89 THR H . . 5.080 4.245 3.625 4.877 . 0 0 "[ . 1 . 2]" 1
213 1 14 LEU MD1 1 89 THR HB . . 3.880 3.274 2.884 3.707 . 0 0 "[ . 1 . 2]" 1
214 1 14 LEU MD2 1 15 ASP H . . 4.170 3.849 3.506 4.186 0.016 13 0 "[ . 1 . 2]" 1
215 1 14 LEU MD2 1 18 TYR QE . . 3.850 3.497 3.095 3.784 . 0 0 "[ . 1 . 2]" 1
216 1 14 LEU MD2 1 28 PHE HA . . 4.030 2.861 2.616 3.263 . 0 0 "[ . 1 . 2]" 1
217 1 14 LEU MD2 1 28 PHE HB2 . . 3.900 3.659 3.332 3.907 0.007 4 0 "[ . 1 . 2]" 1
218 1 14 LEU MD2 1 28 PHE HB3 . . 3.410 2.227 1.911 2.497 . 0 0 "[ . 1 . 2]" 1
219 1 14 LEU MD2 1 28 PHE QD . . 3.890 2.211 1.871 3.118 . 0 0 "[ . 1 . 2]" 1
220 1 14 LEU MD2 1 29 VAL H . . 3.950 3.081 2.624 3.903 . 0 0 "[ . 1 . 2]" 1
221 1 14 LEU MD2 1 41 TRP HH2 . . 3.760 2.400 2.179 2.716 . 0 0 "[ . 1 . 2]" 1
222 1 14 LEU MD2 1 41 TRP HZ3 . . 3.750 2.633 2.095 3.061 . 0 0 "[ . 1 . 2]" 1
223 1 14 LEU MD2 1 80 VAL HB . . 4.600 4.411 4.088 4.598 . 0 0 "[ . 1 . 2]" 1
224 1 14 LEU MD2 1 89 THR HB . . 4.650 3.941 3.093 4.543 . 0 0 "[ . 1 . 2]" 1
225 1 14 LEU HG 1 30 VAL MG1 . . 3.280 1.935 1.793 2.064 . 0 0 "[ . 1 . 2]" 1
226 1 14 LEU HG 1 80 VAL MG1 . . 4.620 3.601 2.989 4.260 . 0 0 "[ . 1 . 2]" 1
227 1 15 ASP H 1 15 ASP HB2 . . 3.670 2.419 2.179 2.909 . 0 0 "[ . 1 . 2]" 1
228 1 15 ASP H 1 15 ASP QB . . 3.220 2.374 2.158 2.779 . 0 0 "[ . 1 . 2]" 1
229 1 15 ASP H 1 15 ASP HB3 . . 3.670 3.549 3.488 3.607 . 0 0 "[ . 1 . 2]" 1
230 1 15 ASP H 1 16 PRO HD2 . . 4.870 4.738 4.706 4.777 . 0 0 "[ . 1 . 2]" 1
231 1 15 ASP H 1 17 ALA H . . 5.290 4.952 4.753 5.145 . 0 0 "[ . 1 . 2]" 1
232 1 15 ASP H 1 18 TYR QD . . 4.830 4.562 4.211 4.828 . 0 0 "[ . 1 . 2]" 1
233 1 15 ASP H 1 18 TYR QE . . 3.480 2.451 1.988 2.811 . 0 0 "[ . 1 . 2]" 1
234 1 15 ASP H 1 89 THR HB . . 4.890 4.563 4.245 4.859 . 0 0 "[ . 1 . 2]" 1
235 1 15 ASP HA 1 16 PRO HD2 . . 3.390 2.442 2.364 2.519 . 0 0 "[ . 1 . 2]" 1
236 1 15 ASP HA 1 16 PRO HD3 . . 3.280 2.316 2.285 2.351 . 0 0 "[ . 1 . 2]" 1
237 1 15 ASP HA 1 16 PRO QG . . 4.380 4.028 3.979 4.078 . 0 0 "[ . 1 . 2]" 1
238 1 15 ASP HA 1 17 ALA H . . 4.070 3.943 3.863 4.067 . 0 0 "[ . 1 . 2]" 1
239 1 15 ASP HA 1 18 TYR QE . . 4.390 4.158 3.948 4.342 . 0 0 "[ . 1 . 2]" 1
240 1 15 ASP QB 1 16 PRO HD2 . . 3.380 2.038 1.985 2.155 . 0 0 "[ . 1 . 2]" 1
241 1 15 ASP QB 1 16 PRO HD3 . . 3.800 3.391 3.285 3.490 . 0 0 "[ . 1 . 2]" 1
242 1 15 ASP QB 1 17 ALA H . . 3.010 2.295 2.175 2.467 . 0 0 "[ . 1 . 2]" 1
243 1 15 ASP QB 1 18 TYR QD . . 4.530 3.206 2.951 3.402 . 0 0 "[ . 1 . 2]" 1
244 1 15 ASP QB 1 18 TYR QE . . 3.760 2.406 2.298 2.702 . 0 0 "[ . 1 . 2]" 1
245 1 15 ASP HB2 1 16 PRO HD2 . . 4.090 3.577 3.240 3.711 . 0 0 "[ . 1 . 2]" 1
246 1 15 ASP HB2 1 17 ALA H . . 3.650 3.226 2.526 3.564 . 0 0 "[ . 1 . 2]" 1
247 1 15 ASP HB3 1 16 PRO HD2 . . 4.090 2.050 2.004 2.169 . 0 0 "[ . 1 . 2]" 1
248 1 15 ASP HB3 1 17 ALA H . . 3.650 2.419 2.200 3.000 . 0 0 "[ . 1 . 2]" 1
249 1 16 PRO HA 1 89 THR HA . . 4.030 3.723 3.436 3.949 . 0 0 "[ . 1 . 2]" 1
250 1 16 PRO HA 1 89 THR HG1 . . 4.240 3.696 3.307 4.087 . 0 0 "[ . 1 . 2]" 1
251 1 16 PRO HA 1 90 GLU H . . 4.630 4.409 4.127 4.623 . 0 0 "[ . 1 . 2]" 1
252 1 16 PRO HB2 1 17 ALA H . . 3.810 3.730 3.590 3.807 . 0 0 "[ . 1 . 2]" 1
253 1 16 PRO HB2 1 17 ALA MB . . 4.130 3.326 3.238 3.462 . 0 0 "[ . 1 . 2]" 1
254 1 16 PRO HB3 1 17 ALA H . . 4.550 4.370 4.289 4.415 . 0 0 "[ . 1 . 2]" 1
255 1 16 PRO HD2 1 17 ALA H . . 3.390 2.789 2.704 2.850 . 0 0 "[ . 1 . 2]" 1
256 1 16 PRO HD3 1 17 ALA H . . 4.030 3.918 3.872 3.950 . 0 0 "[ . 1 . 2]" 1
257 1 16 PRO QG 1 17 ALA H . . 3.370 2.888 2.682 3.007 . 0 0 "[ . 1 . 2]" 1
258 1 16 PRO QG 1 17 ALA MB . . 4.260 3.279 3.199 3.405 . 0 0 "[ . 1 . 2]" 1
259 1 17 ALA H 1 17 ALA MB . . 2.970 2.863 2.819 2.898 . 0 0 "[ . 1 . 2]" 1
260 1 17 ALA H 1 18 TYR H . . 4.360 4.114 4.014 4.248 . 0 0 "[ . 1 . 2]" 1
261 1 17 ALA H 1 18 TYR QD . . 4.450 3.615 3.376 3.927 . 0 0 "[ . 1 . 2]" 1
262 1 17 ALA H 1 89 THR HB . . 5.500 5.376 5.154 5.504 0.004 19 0 "[ . 1 . 2]" 1
263 1 17 ALA H 1 89 THR HG1 . . 3.720 3.417 3.256 3.652 . 0 0 "[ . 1 . 2]" 1
264 1 17 ALA H 1 90 GLU H . . 4.690 4.380 4.236 4.562 . 0 0 "[ . 1 . 2]" 1
265 1 17 ALA HA 1 18 TYR H . . 2.740 2.191 2.155 2.268 . 0 0 "[ . 1 . 2]" 1
266 1 17 ALA HA 1 18 TYR HA . . 4.850 4.392 4.384 4.416 . 0 0 "[ . 1 . 2]" 1
267 1 17 ALA HA 1 18 TYR QD . . 4.140 3.130 2.876 3.442 . 0 0 "[ . 1 . 2]" 1
268 1 17 ALA HA 1 89 THR HA . . 5.270 4.606 4.405 4.773 . 0 0 "[ . 1 . 2]" 1
269 1 17 ALA HA 1 89 THR HG1 . . 3.990 3.194 2.893 3.672 . 0 0 "[ . 1 . 2]" 1
270 1 17 ALA HA 1 90 GLU H . . 2.980 2.590 2.376 2.789 . 0 0 "[ . 1 . 2]" 1
271 1 17 ALA HA 1 90 GLU QB . . 4.340 2.797 2.494 3.125 . 0 0 "[ . 1 . 2]" 1
272 1 17 ALA MB 1 18 TYR H . . 3.180 2.993 2.813 3.141 . 0 0 "[ . 1 . 2]" 1
273 1 17 ALA MB 1 18 TYR HA . . 4.480 4.093 3.966 4.185 . 0 0 "[ . 1 . 2]" 1
274 1 17 ALA MB 1 19 GLN HE21 . . 4.590 3.062 2.379 3.824 . 0 0 "[ . 1 . 2]" 1
275 1 17 ALA MB 1 19 GLN QE . . 3.930 2.859 2.169 3.637 . 0 0 "[ . 1 . 2]" 1
276 1 17 ALA MB 1 19 GLN HE22 . . 4.590 3.717 2.324 4.575 . 0 0 "[ . 1 . 2]" 1
277 1 17 ALA MB 1 19 GLN QG . . 4.380 3.914 3.609 4.245 . 0 0 "[ . 1 . 2]" 1
278 1 17 ALA MB 1 90 GLU H . . 4.080 3.907 3.668 4.089 0.009 4 0 "[ . 1 . 2]" 1
279 1 17 ALA MB 1 90 GLU HB2 . . 4.400 3.075 2.527 3.819 . 0 0 "[ . 1 . 2]" 1
280 1 17 ALA MB 1 90 GLU HB3 . . 4.400 3.627 2.469 4.165 . 0 0 "[ . 1 . 2]" 1
281 1 17 ALA MB 1 92 PHE QD . . 3.740 2.635 2.216 2.881 . 0 0 "[ . 1 . 2]" 1
282 1 17 ALA MB 1 92 PHE QE . . 3.940 2.196 1.825 2.529 . 0 0 "[ . 1 . 2]" 1
283 1 18 TYR H 1 18 TYR HB2 . . 3.410 2.457 2.404 2.554 . 0 0 "[ . 1 . 2]" 1
284 1 18 TYR H 1 18 TYR HB3 . . 3.970 3.664 3.612 3.724 . 0 0 "[ . 1 . 2]" 1
285 1 18 TYR H 1 18 TYR QD . . 3.250 2.619 2.449 2.876 . 0 0 "[ . 1 . 2]" 1
286 1 18 TYR H 1 18 TYR QE . . 5.480 4.907 4.751 5.129 . 0 0 "[ . 1 . 2]" 1
287 1 18 TYR H 1 28 PHE QE . . 5.500 4.724 4.434 5.498 . 0 0 "[ . 1 . 2]" 1
288 1 18 TYR H 1 28 PHE HZ . . 5.500 5.352 5.107 5.509 0.009 15 0 "[ . 1 . 2]" 1
289 1 18 TYR H 1 89 THR MG . . 5.500 5.010 4.732 5.268 . 0 0 "[ . 1 . 2]" 1
290 1 18 TYR H 1 90 GLU H . . 4.300 3.826 3.631 3.995 . 0 0 "[ . 1 . 2]" 1
291 1 18 TYR H 1 90 GLU HB2 . . 4.820 4.338 3.990 4.829 0.009 7 0 "[ . 1 . 2]" 1
292 1 18 TYR H 1 90 GLU HB3 . . 4.820 4.424 3.368 4.762 . 0 0 "[ . 1 . 2]" 1
293 1 18 TYR H 1 91 LEU H . . 5.270 4.778 4.592 4.905 . 0 0 "[ . 1 . 2]" 1
294 1 18 TYR H 1 91 LEU HA . . 3.460 2.942 2.784 3.045 . 0 0 "[ . 1 . 2]" 1
295 1 18 TYR H 1 91 LEU HB2 . . 5.150 5.067 4.880 5.152 0.002 20 0 "[ . 1 . 2]" 1
296 1 18 TYR H 1 91 LEU MD2 . . 3.980 3.823 3.651 3.979 . 0 0 "[ . 1 . 2]" 1
297 1 18 TYR H 1 92 PHE QB . . 4.950 4.296 4.153 4.474 . 0 0 "[ . 1 . 2]" 1
298 1 18 TYR HA 1 18 TYR QD . . 3.970 3.103 3.061 3.125 . 0 0 "[ . 1 . 2]" 1
299 1 18 TYR HA 1 19 GLN H . . 2.660 2.409 2.344 2.496 . 0 0 "[ . 1 . 2]" 1
300 1 18 TYR HA 1 19 GLN QB . . 4.750 4.253 4.012 4.337 . 0 0 "[ . 1 . 2]" 1
301 1 18 TYR HA 1 91 LEU MD2 . . 4.770 4.419 4.197 4.666 . 0 0 "[ . 1 . 2]" 1
302 1 18 TYR HB2 1 19 GLN H . . 3.910 3.742 3.586 3.872 . 0 0 "[ . 1 . 2]" 1
303 1 18 TYR HB2 1 26 VAL MG1 . . 4.300 4.221 3.953 4.306 0.006 7 0 "[ . 1 . 2]" 1
304 1 18 TYR HB2 1 28 PHE QE . . 4.170 3.060 2.584 4.006 . 0 0 "[ . 1 . 2]" 1
305 1 18 TYR HB2 1 28 PHE HZ . . 4.910 3.307 2.963 3.594 . 0 0 "[ . 1 . 2]" 1
306 1 18 TYR HB2 1 91 LEU HA . . 4.400 2.445 2.207 2.678 . 0 0 "[ . 1 . 2]" 1
307 1 18 TYR HB2 1 91 LEU MD2 . . 3.420 2.133 1.961 2.772 . 0 0 "[ . 1 . 2]" 1
308 1 18 TYR HB2 1 92 PHE H . . 4.430 3.446 3.099 3.664 . 0 0 "[ . 1 . 2]" 1
309 1 18 TYR HB3 1 19 GLN H . . 3.280 2.421 2.224 2.586 . 0 0 "[ . 1 . 2]" 1
310 1 18 TYR HB3 1 26 VAL MG1 . . 3.630 3.528 3.249 3.632 0.002 12 0 "[ . 1 . 2]" 1
311 1 18 TYR HB3 1 28 PHE QE . . 4.050 3.742 3.144 4.048 . 0 0 "[ . 1 . 2]" 1
312 1 18 TYR HB3 1 28 PHE HZ . . 5.090 4.100 3.813 4.478 . 0 0 "[ . 1 . 2]" 1
313 1 18 TYR HB3 1 91 LEU MD2 . . 3.600 2.670 2.434 3.025 . 0 0 "[ . 1 . 2]" 1
314 1 18 TYR QD 1 19 GLN H . . 3.860 3.649 3.405 3.841 . 0 0 "[ . 1 . 2]" 1
315 1 18 TYR QD 1 26 VAL MG1 . . 4.330 4.192 3.853 4.330 . 0 0 "[ . 1 . 2]" 1
316 1 18 TYR QD 1 28 PHE QD . . 4.370 3.941 3.666 4.148 . 0 0 "[ . 1 . 2]" 1
317 1 18 TYR QD 1 28 PHE QE . . 4.090 2.768 2.550 3.243 . 0 0 "[ . 1 . 2]" 1
318 1 18 TYR QD 1 89 THR HB . . 4.660 4.222 4.012 4.447 . 0 0 "[ . 1 . 2]" 1
319 1 18 TYR QD 1 89 THR HG1 . . 3.890 2.629 2.266 2.997 . 0 0 "[ . 1 . 2]" 1
320 1 18 TYR QD 1 89 THR MG . . 3.660 3.475 3.218 3.663 0.003 4 0 "[ . 1 . 2]" 1
321 1 18 TYR QD 1 90 GLU H . . 4.140 3.611 3.091 3.836 . 0 0 "[ . 1 . 2]" 1
322 1 18 TYR QD 1 91 LEU MD2 . . 4.220 3.716 3.543 4.204 . 0 0 "[ . 1 . 2]" 1
323 1 18 TYR QE 1 28 PHE QD . . 4.350 3.080 2.829 3.292 . 0 0 "[ . 1 . 2]" 1
324 1 18 TYR QE 1 28 PHE QE . . 4.900 3.221 2.938 3.611 . 0 0 "[ . 1 . 2]" 1
325 1 18 TYR QE 1 29 VAL H . . 4.370 4.121 3.524 4.370 0.000 8 0 "[ . 1 . 2]" 1
326 1 18 TYR QE 1 89 THR HB . . 3.860 3.185 2.951 3.480 . 0 0 "[ . 1 . 2]" 1
327 1 18 TYR QE 1 89 THR HG1 . . 3.540 2.700 2.148 3.339 . 0 0 "[ . 1 . 2]" 1
328 1 18 TYR QE 1 89 THR MG . . 3.600 3.190 2.866 3.383 . 0 0 "[ . 1 . 2]" 1
329 1 18 TYR QE 1 90 GLU H . . 5.100 4.722 4.069 5.049 . 0 0 "[ . 1 . 2]" 1
330 1 19 GLN H 1 19 GLN QB . . 3.020 2.781 2.673 2.849 . 0 0 "[ . 1 . 2]" 1
331 1 19 GLN H 1 19 GLN QG . . 3.730 3.426 3.106 3.707 . 0 0 "[ . 1 . 2]" 1
332 1 19 GLN H 1 26 VAL MG1 . . 4.560 4.505 4.343 4.569 0.009 3 0 "[ . 1 . 2]" 1
333 1 19 GLN H 1 91 LEU MD2 . . 4.130 3.964 3.713 4.134 0.004 19 0 "[ . 1 . 2]" 1
334 1 19 GLN H 1 92 PHE H . . 4.780 4.533 4.333 4.644 . 0 0 "[ . 1 . 2]" 1
335 1 19 GLN H 1 92 PHE QB . . 4.880 4.794 4.654 4.872 . 0 0 "[ . 1 . 2]" 1
336 1 19 GLN HA 1 19 GLN QG . . 3.680 2.425 2.297 2.499 . 0 0 "[ . 1 . 2]" 1
337 1 19 GLN HA 1 20 VAL H . . 2.690 2.147 2.139 2.163 . 0 0 "[ . 1 . 2]" 1
338 1 19 GLN HA 1 20 VAL MG2 . . 5.500 5.413 5.376 5.448 . 0 0 "[ . 1 . 2]" 1
339 1 19 GLN HA 1 91 LEU HA . . 5.200 4.902 4.615 5.192 . 0 0 "[ . 1 . 2]" 1
340 1 19 GLN HA 1 91 LEU MD2 . . 3.800 3.591 3.260 3.777 . 0 0 "[ . 1 . 2]" 1
341 1 19 GLN HA 1 92 PHE H . . 3.530 3.093 2.792 3.398 . 0 0 "[ . 1 . 2]" 1
342 1 19 GLN HA 1 92 PHE HA . . 5.500 4.760 4.552 4.922 . 0 0 "[ . 1 . 2]" 1
343 1 19 GLN HA 1 92 PHE QB . . 3.670 2.768 2.586 2.864 . 0 0 "[ . 1 . 2]" 1
344 1 19 GLN QB 1 20 VAL H . . 3.340 3.232 3.103 3.336 . 0 0 "[ . 1 . 2]" 1
345 1 19 GLN QB 1 20 VAL HA . . 4.950 4.082 4.022 4.128 . 0 0 "[ . 1 . 2]" 1
346 1 19 GLN QB 1 92 PHE QB . . 4.290 3.758 3.470 4.047 . 0 0 "[ . 1 . 2]" 1
347 1 19 GLN QB 1 94 ARG QD . . 4.340 3.950 3.428 4.339 . 0 0 "[ . 1 . 2]" 1
348 1 19 GLN QB 1 94 ARG QG . . 4.200 3.792 3.403 4.169 . 0 0 "[ . 1 . 2]" 1
349 1 19 GLN QG 1 20 VAL H . . 4.410 4.130 3.807 4.262 . 0 0 "[ . 1 . 2]" 1
350 1 19 GLN QG 1 92 PHE H . . 4.650 3.931 3.681 4.181 . 0 0 "[ . 1 . 2]" 1
351 1 19 GLN QG 1 92 PHE QB . . 3.530 2.264 2.033 2.477 . 0 0 "[ . 1 . 2]" 1
352 1 19 GLN QG 1 92 PHE QD . . 4.670 3.173 2.862 3.633 . 0 0 "[ . 1 . 2]" 1
353 1 19 GLN QG 1 94 ARG QG . . 5.230 4.339 3.723 4.837 . 0 0 "[ . 1 . 2]" 1
354 1 20 VAL H 1 20 VAL HB . . 3.670 3.142 3.075 3.211 . 0 0 "[ . 1 . 2]" 1
355 1 20 VAL H 1 20 VAL MG1 . . 3.990 2.464 2.358 2.520 . 0 0 "[ . 1 . 2]" 1
356 1 20 VAL H 1 20 VAL MG2 . . 4.350 3.989 3.964 4.009 . 0 0 "[ . 1 . 2]" 1
357 1 20 VAL H 1 21 ASP H . . 4.480 4.420 4.387 4.437 . 0 0 "[ . 1 . 2]" 1
358 1 20 VAL H 1 26 VAL MG1 . . 4.410 4.042 3.915 4.178 . 0 0 "[ . 1 . 2]" 1
359 1 20 VAL H 1 91 LEU MD2 . . 3.740 3.672 3.365 3.742 0.002 3 0 "[ . 1 . 2]" 1
360 1 20 VAL H 1 92 PHE H . . 4.400 4.212 4.044 4.399 . 0 0 "[ . 1 . 2]" 1
361 1 20 VAL H 1 92 PHE HA . . 5.480 5.345 5.223 5.467 . 0 0 "[ . 1 . 2]" 1
362 1 20 VAL H 1 92 PHE QB . . 4.170 4.150 4.002 4.173 0.003 19 0 "[ . 1 . 2]" 1
363 1 20 VAL H 1 93 VAL HA . . 3.360 2.639 2.504 2.870 . 0 0 "[ . 1 . 2]" 1
364 1 20 VAL H 1 93 VAL MG2 . . 4.580 4.319 4.147 4.515 . 0 0 "[ . 1 . 2]" 1
365 1 20 VAL H 1 94 ARG H . . 3.750 3.466 3.238 3.716 . 0 0 "[ . 1 . 2]" 1
366 1 20 VAL H 1 94 ARG QG . . 4.130 3.850 3.576 3.967 . 0 0 "[ . 1 . 2]" 1
367 1 20 VAL HA 1 20 VAL MG1 . . 3.360 3.174 3.166 3.182 . 0 0 "[ . 1 . 2]" 1
368 1 20 VAL HA 1 21 ASP H . . 2.840 2.406 2.310 2.466 . 0 0 "[ . 1 . 2]" 1
369 1 20 VAL HA 1 21 ASP QB . . 4.530 4.378 4.091 4.533 0.003 12 0 "[ . 1 . 2]" 1
370 1 20 VAL HA 1 91 LEU MD2 . . 5.500 5.190 4.815 5.339 . 0 0 "[ . 1 . 2]" 1
371 1 20 VAL HB 1 21 ASP H . . 4.090 3.875 3.781 4.028 . 0 0 "[ . 1 . 2]" 1
372 1 20 VAL HB 1 26 VAL HB . . 4.480 4.128 3.965 4.314 . 0 0 "[ . 1 . 2]" 1
373 1 20 VAL HB 1 26 VAL MG1 . . 3.260 2.069 1.819 2.220 . 0 0 "[ . 1 . 2]" 1
374 1 20 VAL HB 1 26 VAL MG2 . . 4.810 4.635 4.347 4.793 . 0 0 "[ . 1 . 2]" 1
375 1 20 VAL HB 1 27 ARG H . . 5.260 4.928 4.797 5.062 . 0 0 "[ . 1 . 2]" 1
376 1 20 VAL MG1 1 21 ASP H . . 3.440 3.200 2.989 3.339 . 0 0 "[ . 1 . 2]" 1
377 1 20 VAL MG1 1 21 ASP QB . . 5.120 4.543 4.251 4.826 . 0 0 "[ . 1 . 2]" 1
378 1 20 VAL MG1 1 22 LYS H . . 5.080 4.717 4.551 4.878 . 0 0 "[ . 1 . 2]" 1
379 1 20 VAL MG1 1 24 GLY H . . 3.840 3.664 3.530 3.770 . 0 0 "[ . 1 . 2]" 1
380 1 20 VAL MG1 1 24 GLY HA3 . . 3.820 3.793 3.689 3.828 0.008 14 0 "[ . 1 . 2]" 1
381 1 20 VAL MG1 1 25 ARG H . . 4.000 3.969 3.914 4.001 0.001 15 0 "[ . 1 . 2]" 1
382 1 20 VAL MG1 1 25 ARG HA . . 4.670 4.498 4.408 4.663 . 0 0 "[ . 1 . 2]" 1
383 1 20 VAL MG1 1 26 VAL H . . 4.380 4.182 4.107 4.339 . 0 0 "[ . 1 . 2]" 1
384 1 20 VAL MG1 1 26 VAL HB . . 4.360 4.164 4.051 4.269 . 0 0 "[ . 1 . 2]" 1
385 1 20 VAL MG1 1 26 VAL MG1 . . 3.880 1.814 1.787 1.826 . 0 0 "[ . 1 . 2]" 1
386 1 20 VAL MG1 1 26 VAL MG2 . . 4.080 3.752 3.559 3.861 . 0 0 "[ . 1 . 2]" 1
387 1 20 VAL MG1 1 27 ARG H . . 5.500 5.505 5.497 5.518 0.018 15 0 "[ . 1 . 2]" 1
388 1 20 VAL MG1 1 70 CYS H . . 4.600 4.490 4.305 4.603 0.003 20 0 "[ . 1 . 2]" 1
389 1 20 VAL MG1 1 70 CYS HA . . 4.760 4.424 4.239 4.629 . 0 0 "[ . 1 . 2]" 1
390 1 20 VAL MG1 1 70 CYS HB2 . . 3.920 2.462 2.302 2.712 . 0 0 "[ . 1 . 2]" 1
391 1 20 VAL MG1 1 70 CYS HB3 . . 4.390 2.458 2.304 2.646 . 0 0 "[ . 1 . 2]" 1
392 1 20 VAL MG1 1 70 CYS HG . . 4.060 3.657 3.184 3.983 . 0 0 "[ . 1 . 2]" 1
393 1 20 VAL MG1 1 93 VAL MG2 . . 4.610 2.536 2.244 2.871 . 0 0 "[ . 1 . 2]" 1
394 1 20 VAL MG2 1 21 ASP H . . 4.160 1.862 1.760 2.008 . 0 0 "[ . 1 . 2]" 1
395 1 20 VAL MG2 1 24 GLY H . . 4.610 3.839 3.477 4.068 . 0 0 "[ . 1 . 2]" 1
396 1 20 VAL MG2 1 25 ARG H . . 5.240 2.449 2.231 2.586 . 0 0 "[ . 1 . 2]" 1
397 1 20 VAL MG2 1 26 VAL H . . 4.250 3.630 3.289 3.808 . 0 0 "[ . 1 . 2]" 1
398 1 20 VAL MG2 1 26 VAL MG2 . . 4.350 4.180 3.796 4.341 . 0 0 "[ . 1 . 2]" 1
399 1 20 VAL MG2 1 27 ARG H . . 5.370 4.765 4.537 4.918 . 0 0 "[ . 1 . 2]" 1
400 1 20 VAL MG2 1 70 CYS H . . 5.300 5.039 4.743 5.199 . 0 0 "[ . 1 . 2]" 1
401 1 20 VAL MG2 1 70 CYS HB2 . . 3.680 3.578 3.308 3.684 0.004 19 0 "[ . 1 . 2]" 1
402 1 21 ASP H 1 21 ASP HB2 . . 3.750 2.974 2.214 3.652 . 0 0 "[ . 1 . 2]" 1
403 1 21 ASP H 1 21 ASP QB . . 3.010 2.490 2.192 2.825 . 0 0 "[ . 1 . 2]" 1
404 1 21 ASP H 1 21 ASP HB3 . . 3.750 3.069 2.567 3.633 . 0 0 "[ . 1 . 2]" 1
405 1 21 ASP H 1 24 GLY HA3 . . 4.740 3.834 3.634 4.048 . 0 0 "[ . 1 . 2]" 1
406 1 21 ASP QB 1 22 LYS H . . 3.380 2.857 2.580 3.328 . 0 0 "[ . 1 . 2]" 1
407 1 21 ASP QB 1 94 ARG H . . 5.340 5.245 4.953 5.344 0.004 4 0 "[ . 1 . 2]" 1
408 1 21 ASP HB2 1 22 LYS H . . 4.200 3.450 2.617 4.151 . 0 0 "[ . 1 . 2]" 1
409 1 21 ASP HB3 1 22 LYS H . . 4.200 3.473 2.636 4.185 . 0 0 "[ . 1 . 2]" 1
410 1 22 LYS H 1 22 LYS QB . . 2.640 2.230 2.164 2.274 . 0 0 "[ . 1 . 2]" 1
411 1 22 LYS H 1 22 LYS HG2 . . 4.810 4.463 4.263 4.588 . 0 0 "[ . 1 . 2]" 1
412 1 22 LYS H 1 22 LYS QG . . 4.110 3.942 3.859 3.997 . 0 0 "[ . 1 . 2]" 1
413 1 22 LYS H 1 22 LYS HG3 . . 4.810 4.397 4.181 4.584 . 0 0 "[ . 1 . 2]" 1
414 1 22 LYS H 1 23 GLY H . . 4.830 4.650 4.636 4.654 . 0 0 "[ . 1 . 2]" 1
415 1 22 LYS H 1 93 VAL MG2 . . 3.530 3.270 2.803 3.526 . 0 0 "[ . 1 . 2]" 1
416 1 22 LYS H 1 94 ARG H . . 4.190 4.130 3.796 4.190 0.000 1 0 "[ . 1 . 2]" 1
417 1 22 LYS H 1 94 ARG QB . . 3.870 3.482 2.440 3.868 . 0 0 "[ . 1 . 2]" 1
418 1 22 LYS HA 1 22 LYS HG2 . . 4.020 2.784 2.274 3.085 . 0 0 "[ . 1 . 2]" 1
419 1 22 LYS HA 1 22 LYS QG . . 3.460 2.430 2.246 2.561 . 0 0 "[ . 1 . 2]" 1
420 1 22 LYS HA 1 22 LYS HG3 . . 4.020 2.847 2.361 3.573 . 0 0 "[ . 1 . 2]" 1
421 1 22 LYS HA 1 23 GLY H . . 2.860 2.321 2.269 2.365 . 0 0 "[ . 1 . 2]" 1
422 1 22 LYS HA 1 24 GLY H . . 4.310 3.448 3.338 3.549 . 0 0 "[ . 1 . 2]" 1
423 1 22 LYS HA 1 70 CYS HB2 . . 4.680 3.863 3.579 4.031 . 0 0 "[ . 1 . 2]" 1
424 1 22 LYS HA 1 71 GLN HA . . 4.630 3.609 2.946 4.069 . 0 0 "[ . 1 . 2]" 1
425 1 22 LYS HA 1 71 GLN QE . . 4.810 4.212 3.546 4.757 . 0 0 "[ . 1 . 2]" 1
426 1 22 LYS HA 1 93 VAL MG2 . . 3.410 2.080 1.896 2.269 . 0 0 "[ . 1 . 2]" 1
427 1 22 LYS QB 1 22 LYS QE . . 3.590 2.613 1.996 3.532 . 0 0 "[ . 1 . 2]" 1
428 1 22 LYS QB 1 23 GLY H . . 3.730 3.398 3.330 3.508 . 0 0 "[ . 1 . 2]" 1
429 1 22 LYS QB 1 24 GLY H . . 4.900 4.721 4.596 4.856 . 0 0 "[ . 1 . 2]" 1
430 1 22 LYS QB 1 93 VAL MG2 . . 3.530 3.270 2.818 3.534 0.004 4 0 "[ . 1 . 2]" 1
431 1 22 LYS QB 1 95 SER HA . . 3.780 2.132 1.974 2.895 . 0 0 "[ . 1 . 2]" 1
432 1 22 LYS QB 1 95 SER QB . . 4.740 3.699 2.337 4.431 . 0 0 "[ . 1 . 2]" 1
433 1 22 LYS QD 1 71 GLN QE . . 4.370 2.549 1.884 4.047 . 0 0 "[ . 1 . 2]" 1
434 1 22 LYS QD 1 95 SER QB . . 5.170 4.025 2.559 5.167 . 0 0 "[ . 1 . 2]" 1
435 1 22 LYS QE 1 22 LYS QG . . 3.490 2.252 2.033 2.636 . 0 0 "[ . 1 . 2]" 1
436 1 22 LYS QE 1 95 SER HA . . 4.640 3.665 2.018 4.537 . 0 0 "[ . 1 . 2]" 1
437 1 22 LYS QG 1 71 GLN QE . . 4.150 2.193 1.683 3.056 . 0 0 "[ . 1 . 2]" 1
438 1 22 LYS QG 1 93 VAL MG2 . . 3.770 3.189 2.942 3.547 . 0 0 "[ . 1 . 2]" 1
439 1 22 LYS HG2 1 23 GLY H . . 3.940 2.036 1.900 2.383 . 0 0 "[ . 1 . 2]" 1
440 1 22 LYS HG2 1 93 VAL MG2 . . 4.330 3.927 3.216 4.314 . 0 0 "[ . 1 . 2]" 1
441 1 22 LYS HG3 1 23 GLY H . . 3.940 3.034 2.467 3.948 0.008 4 0 "[ . 1 . 2]" 1
442 1 22 LYS HG3 1 93 VAL MG2 . . 4.330 3.516 3.006 4.331 0.001 5 0 "[ . 1 . 2]" 1
443 1 23 GLY H 1 24 GLY H . . 3.200 2.975 2.914 3.047 . 0 0 "[ . 1 . 2]" 1
444 1 23 GLY H 1 24 GLY HA3 . . 5.330 5.237 5.200 5.268 . 0 0 "[ . 1 . 2]" 1
445 1 23 GLY H 1 69 ASN HA . . 4.670 4.571 4.226 4.673 0.003 14 0 "[ . 1 . 2]" 1
446 1 23 GLY H 1 70 CYS H . . 4.230 4.101 3.873 4.229 . 0 0 "[ . 1 . 2]" 1
447 1 23 GLY H 1 70 CYS HB2 . . 4.090 3.810 3.527 4.091 0.001 6 0 "[ . 1 . 2]" 1
448 1 23 GLY H 1 70 CYS HB3 . . 4.990 4.686 4.420 4.963 . 0 0 "[ . 1 . 2]" 1
449 1 23 GLY H 1 71 GLN HA . . 4.420 2.880 2.536 3.447 . 0 0 "[ . 1 . 2]" 1
450 1 23 GLY H 1 71 GLN HE21 . . 4.620 3.108 2.388 3.946 . 0 0 "[ . 1 . 2]" 1
451 1 23 GLY H 1 71 GLN HE22 . . 4.620 3.412 2.839 4.621 0.001 7 0 "[ . 1 . 2]" 1
452 1 23 GLY H 1 93 VAL MG2 . . 4.010 3.301 3.072 3.564 . 0 0 "[ . 1 . 2]" 1
453 1 23 GLY HA2 1 24 GLY H . . 3.480 2.918 2.846 3.010 . 0 0 "[ . 1 . 2]" 1
454 1 23 GLY HA2 1 69 ASN H . . 4.340 4.011 3.836 4.191 . 0 0 "[ . 1 . 2]" 1
455 1 23 GLY HA2 1 69 ASN HA . . 3.820 2.375 1.998 2.512 . 0 0 "[ . 1 . 2]" 1
456 1 23 GLY HA2 1 70 CYS H . . 3.970 2.918 2.704 3.224 . 0 0 "[ . 1 . 2]" 1
457 1 23 GLY HA2 1 71 GLN QE . . 4.230 3.527 2.955 4.155 . 0 0 "[ . 1 . 2]" 1
458 1 23 GLY HA3 1 69 ASN HA . . 4.240 3.653 3.283 3.876 . 0 0 "[ . 1 . 2]" 1
459 1 23 GLY HA3 1 71 GLN HE21 . . 4.740 4.269 3.725 4.748 0.008 4 0 "[ . 1 . 2]" 1
460 1 23 GLY HA3 1 71 GLN QE . . 4.170 3.559 3.056 4.063 . 0 0 "[ . 1 . 2]" 1
461 1 23 GLY HA3 1 71 GLN HE22 . . 4.740 3.889 3.223 4.702 . 0 0 "[ . 1 . 2]" 1
462 1 24 GLY H 1 24 GLY HA3 . . 2.880 2.397 2.361 2.438 . 0 0 "[ . 1 . 2]" 1
463 1 24 GLY H 1 25 ARG H . . 4.330 4.112 4.060 4.163 . 0 0 "[ . 1 . 2]" 1
464 1 24 GLY H 1 69 ASN HA . . 4.730 4.356 4.190 4.514 . 0 0 "[ . 1 . 2]" 1
465 1 24 GLY H 1 70 CYS HB2 . . 3.770 2.181 1.989 2.466 . 0 0 "[ . 1 . 2]" 1
466 1 24 GLY H 1 70 CYS HB3 . . 4.380 3.858 3.646 4.163 . 0 0 "[ . 1 . 2]" 1
467 1 24 GLY H 1 70 CYS HG . . 4.320 3.991 3.554 4.306 . 0 0 "[ . 1 . 2]" 1
468 1 24 GLY H 1 93 VAL MG2 . . 4.850 3.711 3.320 3.955 . 0 0 "[ . 1 . 2]" 1
469 1 24 GLY HA2 1 25 ARG H . . 3.150 2.987 2.949 3.034 . 0 0 "[ . 1 . 2]" 1
470 1 24 GLY HA2 1 69 ASN H . . 4.510 4.473 4.337 4.514 0.004 5 0 "[ . 1 . 2]" 1
471 1 24 GLY HA3 1 25 ARG H . . 2.860 2.224 2.198 2.246 . 0 0 "[ . 1 . 2]" 1
472 1 25 ARG H 1 25 ARG HB2 . . 3.870 3.143 3.056 3.245 . 0 0 "[ . 1 . 2]" 1
473 1 25 ARG H 1 25 ARG HB3 . . 3.050 2.951 2.886 3.041 . 0 0 "[ . 1 . 2]" 1
474 1 25 ARG H 1 25 ARG QD . . 5.340 5.060 4.855 5.317 . 0 0 "[ . 1 . 2]" 1
475 1 25 ARG H 1 25 ARG HG2 . . 4.880 4.600 4.522 4.675 . 0 0 "[ . 1 . 2]" 1
476 1 25 ARG H 1 25 ARG HG3 . . 5.040 4.827 4.751 4.905 . 0 0 "[ . 1 . 2]" 1
477 1 25 ARG H 1 26 VAL HA . . 4.820 4.612 4.586 4.651 . 0 0 "[ . 1 . 2]" 1
478 1 25 ARG H 1 68 ASN HA . . 5.170 5.015 4.762 5.168 . 0 0 "[ . 1 . 2]" 1
479 1 25 ARG H 1 70 CYS HG . . 4.810 3.985 3.608 4.553 . 0 0 "[ . 1 . 2]" 1
480 1 25 ARG HA 1 25 ARG HG3 . . 3.820 2.643 2.502 2.801 . 0 0 "[ . 1 . 2]" 1
481 1 25 ARG HA 1 26 VAL H . . 2.680 2.148 2.141 2.156 . 0 0 "[ . 1 . 2]" 1
482 1 25 ARG HA 1 26 VAL MG2 . . 4.450 3.616 3.502 3.723 . 0 0 "[ . 1 . 2]" 1
483 1 25 ARG HA 1 67 ILE H . . 4.630 4.185 3.942 4.403 . 0 0 "[ . 1 . 2]" 1
484 1 25 ARG HA 1 68 ASN HA . . 3.860 2.655 2.405 2.808 . 0 0 "[ . 1 . 2]" 1
485 1 25 ARG HA 1 69 ASN H . . 4.380 4.152 3.978 4.353 . 0 0 "[ . 1 . 2]" 1
486 1 25 ARG HA 1 70 CYS H . . 4.100 4.008 3.839 4.107 0.007 4 0 "[ . 1 . 2]" 1
487 1 25 ARG HA 1 70 CYS HG . . 3.790 2.202 2.020 2.660 . 0 0 "[ . 1 . 2]" 1
488 1 25 ARG HB2 1 25 ARG HD2 . . 4.070 3.448 2.712 3.853 . 0 0 "[ . 1 . 2]" 1
489 1 25 ARG HB2 1 25 ARG QD . . 3.510 2.724 2.345 3.155 . 0 0 "[ . 1 . 2]" 1
490 1 25 ARG HB2 1 25 ARG HD3 . . 4.070 3.093 2.377 3.932 . 0 0 "[ . 1 . 2]" 1
491 1 25 ARG HB2 1 26 VAL H . . 4.550 4.350 4.264 4.428 . 0 0 "[ . 1 . 2]" 1
492 1 25 ARG HB2 1 69 ASN H . . 4.770 4.452 4.216 4.668 . 0 0 "[ . 1 . 2]" 1
493 1 25 ARG QD 1 66 PHE QD . . 4.050 3.112 2.354 3.891 . 0 0 "[ . 1 . 2]" 1
494 1 25 ARG HD2 1 66 PHE HB3 . . 4.610 2.985 2.110 4.401 . 0 0 "[ . 1 . 2]" 1
495 1 25 ARG HD2 1 66 PHE QD . . 4.900 3.441 2.892 4.885 . 0 0 "[ . 1 . 2]" 1
496 1 25 ARG HD3 1 66 PHE HB3 . . 4.610 3.287 1.998 4.454 . 0 0 "[ . 1 . 2]" 1
497 1 25 ARG HD3 1 66 PHE QD . . 4.900 3.889 2.462 4.845 . 0 0 "[ . 1 . 2]" 1
498 1 25 ARG HG2 1 26 VAL H . . 3.750 2.877 2.700 3.134 . 0 0 "[ . 1 . 2]" 1
499 1 25 ARG HG2 1 66 PHE QD . . 4.170 2.861 2.435 3.309 . 0 0 "[ . 1 . 2]" 1
500 1 25 ARG HG2 1 67 ILE H . . 4.560 3.315 2.987 3.853 . 0 0 "[ . 1 . 2]" 1
501 1 25 ARG HG3 1 26 VAL H . . 4.030 3.648 3.322 3.954 . 0 0 "[ . 1 . 2]" 1
502 1 25 ARG HG3 1 66 PHE HB3 . . 4.700 3.196 2.906 3.483 . 0 0 "[ . 1 . 2]" 1
503 1 25 ARG HG3 1 66 PHE QD . . 5.380 4.285 3.752 4.662 . 0 0 "[ . 1 . 2]" 1
504 1 25 ARG HG3 1 67 ILE H . . 4.690 3.880 3.239 4.231 . 0 0 "[ . 1 . 2]" 1
505 1 25 ARG HG3 1 68 ASN HA . . 4.190 2.663 2.306 2.840 . 0 0 "[ . 1 . 2]" 1
506 1 25 ARG HG3 1 69 ASN H . . 5.000 4.809 4.472 5.004 0.004 14 0 "[ . 1 . 2]" 1
507 1 26 VAL H 1 26 VAL HB . . 4.170 3.657 3.622 3.690 . 0 0 "[ . 1 . 2]" 1
508 1 26 VAL H 1 26 VAL MG1 . . 4.000 2.713 2.575 2.901 . 0 0 "[ . 1 . 2]" 1
509 1 26 VAL H 1 26 VAL MG2 . . 3.080 1.880 1.850 1.971 . 0 0 "[ . 1 . 2]" 1
510 1 26 VAL H 1 27 ARG H . . 4.680 4.556 4.540 4.576 . 0 0 "[ . 1 . 2]" 1
511 1 26 VAL H 1 27 ARG HA . . 5.400 5.177 5.122 5.210 . 0 0 "[ . 1 . 2]" 1
512 1 26 VAL H 1 66 PHE HA . . 4.540 4.424 4.224 4.540 . 12 0 "[ . 1 . 2]" 1
513 1 26 VAL H 1 67 ILE H . . 3.310 2.864 2.730 3.008 . 0 0 "[ . 1 . 2]" 1
514 1 26 VAL H 1 67 ILE HB . . 3.860 3.390 3.219 3.673 . 0 0 "[ . 1 . 2]" 1
515 1 26 VAL H 1 70 CYS HG . . 3.580 2.875 2.639 3.242 . 0 0 "[ . 1 . 2]" 1
516 1 26 VAL HA 1 26 VAL MG1 . . 3.220 2.314 2.195 2.367 . 0 0 "[ . 1 . 2]" 1
517 1 26 VAL HA 1 27 ARG H . . 2.580 2.429 2.324 2.460 . 0 0 "[ . 1 . 2]" 1
518 1 26 VAL HA 1 91 LEU MD2 . . 5.500 4.387 4.128 4.750 . 0 0 "[ . 1 . 2]" 1
519 1 26 VAL HB 1 27 ARG H . . 4.330 2.324 2.251 2.581 . 0 0 "[ . 1 . 2]" 1
520 1 26 VAL HB 1 67 ILE H . . 5.140 4.632 4.363 4.888 . 0 0 "[ . 1 . 2]" 1
521 1 26 VAL HB 1 91 LEU MD2 . . 3.670 2.945 2.572 3.460 . 0 0 "[ . 1 . 2]" 1
522 1 26 VAL MG1 1 27 ARG H . . 3.700 3.560 3.399 3.659 . 0 0 "[ . 1 . 2]" 1
523 1 26 VAL MG1 1 28 PHE QE . . 3.840 3.608 2.867 3.836 . 0 0 "[ . 1 . 2]" 1
524 1 26 VAL MG1 1 28 PHE HZ . . 4.680 3.717 3.424 4.090 . 0 0 "[ . 1 . 2]" 1
525 1 26 VAL MG1 1 70 CYS H . . 5.310 5.145 4.925 5.312 0.002 15 0 "[ . 1 . 2]" 1
526 1 26 VAL MG1 1 70 CYS HB2 . . 4.150 3.868 3.637 4.155 0.005 20 0 "[ . 1 . 2]" 1
527 1 26 VAL MG1 1 70 CYS HB3 . . 4.080 3.400 3.139 3.656 . 0 0 "[ . 1 . 2]" 1
528 1 26 VAL MG1 1 92 PHE H . . 5.290 4.682 4.466 4.953 . 0 0 "[ . 1 . 2]" 1
529 1 26 VAL MG2 1 27 ARG H . . 3.970 3.460 3.268 3.735 . 0 0 "[ . 1 . 2]" 1
530 1 26 VAL MG2 1 27 ARG HA . . 4.670 3.859 3.612 4.035 . 0 0 "[ . 1 . 2]" 1
531 1 26 VAL MG2 1 28 PHE QD . . 4.010 2.913 2.271 3.455 . 0 0 "[ . 1 . 2]" 1
532 1 26 VAL MG2 1 28 PHE QE . . 3.740 2.058 1.777 2.501 . 0 0 "[ . 1 . 2]" 1
533 1 26 VAL MG2 1 66 PHE HA . . 4.470 3.258 3.060 3.484 . 0 0 "[ . 1 . 2]" 1
534 1 26 VAL MG2 1 67 ILE H . . 3.340 2.165 1.954 2.388 . 0 0 "[ . 1 . 2]" 1
535 1 26 VAL MG2 1 67 ILE HB . . 3.170 1.944 1.835 2.302 . 0 0 "[ . 1 . 2]" 1
536 1 26 VAL MG2 1 70 CYS HG . . 4.220 3.382 2.965 4.053 . 0 0 "[ . 1 . 2]" 1
537 1 26 VAL MG2 1 91 LEU MD2 . . 3.450 2.899 2.587 3.409 . 0 0 "[ . 1 . 2]" 1
538 1 27 ARG H 1 27 ARG HB2 . . 3.340 3.140 3.040 3.260 . 0 0 "[ . 1 . 2]" 1
539 1 27 ARG H 1 27 ARG QB . . 2.850 2.546 2.462 2.631 . 0 0 "[ . 1 . 2]" 1
540 1 27 ARG H 1 27 ARG HB3 . . 3.340 2.694 2.571 2.783 . 0 0 "[ . 1 . 2]" 1
541 1 27 ARG H 1 27 ARG QD . . 5.310 4.926 4.514 5.200 . 0 0 "[ . 1 . 2]" 1
542 1 27 ARG H 1 27 ARG QG . . 4.310 4.082 4.027 4.125 . 0 0 "[ . 1 . 2]" 1
543 1 27 ARG H 1 28 PHE H . . 4.380 4.231 3.976 4.346 . 0 0 "[ . 1 . 2]" 1
544 1 27 ARG H 1 28 PHE HA . . 4.970 4.855 4.606 4.968 . 0 0 "[ . 1 . 2]" 1
545 1 27 ARG H 1 66 PHE QD . . 4.830 4.714 4.506 4.831 0.001 7 0 "[ . 1 . 2]" 1
546 1 27 ARG H 1 66 PHE QE . . 5.470 5.138 4.918 5.333 . 0 0 "[ . 1 . 2]" 1
547 1 27 ARG H 1 91 LEU MD2 . . 5.500 4.696 4.362 5.134 . 0 0 "[ . 1 . 2]" 1
548 1 27 ARG HA 1 27 ARG HD2 . . 5.500 4.700 4.181 4.917 . 0 0 "[ . 1 . 2]" 1
549 1 27 ARG HA 1 27 ARG QD . . 4.840 4.104 3.855 4.251 . 0 0 "[ . 1 . 2]" 1
550 1 27 ARG HA 1 27 ARG HD3 . . 5.500 4.562 4.265 4.961 . 0 0 "[ . 1 . 2]" 1
551 1 27 ARG HA 1 27 ARG QG . . 3.640 2.476 2.395 2.577 . 0 0 "[ . 1 . 2]" 1
552 1 27 ARG HA 1 28 PHE H . . 2.760 2.150 2.139 2.169 . 0 0 "[ . 1 . 2]" 1
553 1 27 ARG HA 1 64 ILE MG . . 4.610 3.874 3.505 4.117 . 0 0 "[ . 1 . 2]" 1
554 1 27 ARG HA 1 65 LEU H . . 4.870 4.534 4.171 4.687 . 0 0 "[ . 1 . 2]" 1
555 1 27 ARG HA 1 66 PHE HA . . 3.620 3.098 2.859 3.332 . 0 0 "[ . 1 . 2]" 1
556 1 27 ARG HA 1 66 PHE QD . . 4.490 2.820 2.257 3.022 . 0 0 "[ . 1 . 2]" 1
557 1 27 ARG HA 1 67 ILE H . . 4.710 4.460 4.240 4.706 . 0 0 "[ . 1 . 2]" 1
558 1 27 ARG QB 1 28 PHE H . . 4.360 3.803 3.699 3.926 . 0 0 "[ . 1 . 2]" 1
559 1 27 ARG QB 1 29 VAL QG . . 4.970 4.220 3.891 4.460 . 0 0 "[ . 1 . 2]" 1
560 1 27 ARG QB 1 64 ILE MG . . 4.910 4.366 3.962 4.664 . 0 0 "[ . 1 . 2]" 1
561 1 27 ARG QB 1 66 PHE HA . . 5.280 4.856 4.557 5.103 . 0 0 "[ . 1 . 2]" 1
562 1 27 ARG QB 1 66 PHE QD . . 4.200 3.243 2.911 3.583 . 0 0 "[ . 1 . 2]" 1
563 1 27 ARG QB 1 66 PHE QE . . 4.000 2.332 1.992 2.675 . 0 0 "[ . 1 . 2]" 1
564 1 27 ARG HB2 1 27 ARG HD2 . . 3.940 3.339 2.642 3.760 . 0 0 "[ . 1 . 2]" 1
565 1 27 ARG HB2 1 27 ARG HD3 . . 3.940 2.927 2.317 3.856 . 0 0 "[ . 1 . 2]" 1
566 1 27 ARG HB2 1 66 PHE QE . . 4.770 2.351 2.001 2.706 . 0 0 "[ . 1 . 2]" 1
567 1 27 ARG HB3 1 27 ARG HD2 . . 3.940 3.225 2.220 3.782 . 0 0 "[ . 1 . 2]" 1
568 1 27 ARG HB3 1 27 ARG HD3 . . 3.940 3.051 2.402 3.696 . 0 0 "[ . 1 . 2]" 1
569 1 27 ARG HB3 1 66 PHE QE . . 4.770 3.909 3.612 4.190 . 0 0 "[ . 1 . 2]" 1
570 1 27 ARG QD 1 29 VAL QG . . 4.010 3.140 2.329 4.000 . 0 0 "[ . 1 . 2]" 1
571 1 27 ARG QD 1 64 ILE MG . . 3.900 3.631 3.279 3.900 0.000 3 0 "[ . 1 . 2]" 1
572 1 27 ARG QD 1 66 PHE QE . . 3.920 2.946 1.984 3.859 . 0 0 "[ . 1 . 2]" 1
573 1 27 ARG QD 1 66 PHE HZ . . 4.160 3.331 2.374 4.046 . 0 0 "[ . 1 . 2]" 1
574 1 27 ARG HD2 1 66 PHE QE . . 4.460 3.615 1.999 4.446 . 0 0 "[ . 1 . 2]" 1
575 1 27 ARG HD3 1 66 PHE QE . . 4.460 3.304 2.188 4.456 . 0 0 "[ . 1 . 2]" 1
576 1 27 ARG QG 1 28 PHE H . . 3.540 2.905 2.620 3.252 . 0 0 "[ . 1 . 2]" 1
577 1 27 ARG QG 1 29 VAL QG . . 3.590 2.587 2.216 2.883 . 0 0 "[ . 1 . 2]" 1
578 1 27 ARG QG 1 64 ILE MG . . 3.470 2.687 2.252 2.954 . 0 0 "[ . 1 . 2]" 1
579 1 27 ARG QG 1 66 PHE QE . . 4.740 2.248 1.989 2.594 . 0 0 "[ . 1 . 2]" 1
580 1 27 ARG QG 1 66 PHE HZ . . 5.340 2.763 2.268 3.325 . 0 0 "[ . 1 . 2]" 1
581 1 27 ARG HG2 1 28 PHE H . . 4.060 3.189 2.887 3.786 . 0 0 "[ . 1 . 2]" 1
582 1 27 ARG HG2 1 64 ILE MG . . 3.990 3.283 2.778 3.832 . 0 0 "[ . 1 . 2]" 1
583 1 27 ARG HG2 1 65 LEU H . . 4.930 4.821 4.491 4.941 0.011 4 0 "[ . 1 . 2]" 1
584 1 27 ARG HG3 1 28 PHE H . . 4.060 3.392 2.775 3.834 . 0 0 "[ . 1 . 2]" 1
585 1 27 ARG HG3 1 64 ILE MG . . 3.990 2.864 2.332 3.210 . 0 0 "[ . 1 . 2]" 1
586 1 27 ARG HG3 1 65 LEU H . . 4.930 4.709 4.197 4.932 0.002 17 0 "[ . 1 . 2]" 1
587 1 28 PHE H 1 28 PHE HB2 . . 3.320 2.622 2.414 2.779 . 0 0 "[ . 1 . 2]" 1
588 1 28 PHE H 1 28 PHE HB3 . . 4.170 3.765 3.643 3.858 . 0 0 "[ . 1 . 2]" 1
589 1 28 PHE H 1 28 PHE QD . . 4.200 3.553 2.359 3.850 . 0 0 "[ . 1 . 2]" 1
590 1 28 PHE H 1 29 VAL H . . 4.500 4.083 3.944 4.311 . 0 0 "[ . 1 . 2]" 1
591 1 28 PHE H 1 29 VAL HA . . 5.210 4.836 4.745 5.014 . 0 0 "[ . 1 . 2]" 1
592 1 28 PHE H 1 29 VAL QG . . 4.270 4.104 3.666 4.288 0.018 19 0 "[ . 1 . 2]" 1
593 1 28 PHE H 1 64 ILE HA . . 5.500 4.614 4.413 4.759 . 0 0 "[ . 1 . 2]" 1
594 1 28 PHE H 1 64 ILE MG . . 3.780 3.165 2.999 3.460 . 0 0 "[ . 1 . 2]" 1
595 1 28 PHE H 1 65 LEU H . . 3.600 2.837 2.722 2.935 . 0 0 "[ . 1 . 2]" 1
596 1 28 PHE H 1 65 LEU HB2 . . 5.490 5.126 4.775 5.487 . 0 0 "[ . 1 . 2]" 1
597 1 28 PHE H 1 66 PHE HA . . 3.870 3.622 3.385 3.814 . 0 0 "[ . 1 . 2]" 1
598 1 28 PHE H 1 66 PHE QD . . 4.890 4.347 3.807 4.680 . 0 0 "[ . 1 . 2]" 1
599 1 28 PHE H 1 67 ILE H . . 5.500 5.220 5.004 5.438 . 0 0 "[ . 1 . 2]" 1
600 1 28 PHE HA 1 28 PHE QD . . 3.490 2.304 1.998 3.030 . 0 0 "[ . 1 . 2]" 1
601 1 28 PHE HA 1 28 PHE QE . . 4.620 4.374 4.256 4.602 . 0 0 "[ . 1 . 2]" 1
602 1 28 PHE HA 1 29 VAL H . . 2.640 2.153 2.140 2.157 . 0 0 "[ . 1 . 2]" 1
603 1 28 PHE HA 1 29 VAL QG . . 4.600 3.639 3.400 3.864 . 0 0 "[ . 1 . 2]" 1
604 1 28 PHE HB2 1 41 TRP HH2 . . 4.100 2.988 2.606 3.358 . 0 0 "[ . 1 . 2]" 1
605 1 28 PHE HB2 1 41 TRP HZ3 . . 4.310 2.846 2.505 3.168 . 0 0 "[ . 1 . 2]" 1
606 1 28 PHE HB2 1 65 LEU H . . 3.740 3.304 3.047 3.641 . 0 0 "[ . 1 . 2]" 1
607 1 28 PHE HB2 1 65 LEU HB3 . . 4.160 2.121 1.999 2.588 . 0 0 "[ . 1 . 2]" 1
608 1 28 PHE HB2 1 65 LEU MD1 . . 4.090 2.767 2.227 3.171 . 0 0 "[ . 1 . 2]" 1
609 1 28 PHE HB3 1 29 VAL H . . 3.920 3.693 3.554 3.726 . 0 0 "[ . 1 . 2]" 1
610 1 28 PHE HB3 1 41 TRP HH2 . . 3.970 2.181 2.000 2.499 . 0 0 "[ . 1 . 2]" 1
611 1 28 PHE HB3 1 41 TRP HZ3 . . 4.150 2.081 1.999 2.316 . 0 0 "[ . 1 . 2]" 1
612 1 28 PHE HB3 1 65 LEU H . . 4.530 4.310 4.107 4.530 0.000 4 0 "[ . 1 . 2]" 1
613 1 28 PHE HB3 1 65 LEU HB3 . . 4.320 3.317 3.031 3.801 . 0 0 "[ . 1 . 2]" 1
614 1 28 PHE QD 1 29 VAL H . . 4.700 3.965 3.772 4.670 . 0 0 "[ . 1 . 2]" 1
615 1 28 PHE QD 1 41 TRP HZ3 . . 4.070 3.402 2.291 3.697 . 0 0 "[ . 1 . 2]" 1
616 1 28 PHE QD 1 65 LEU H . . 5.210 4.923 4.668 5.214 0.004 3 0 "[ . 1 . 2]" 1
617 1 28 PHE QD 1 65 LEU HB3 . . 4.700 3.385 3.004 3.927 . 0 0 "[ . 1 . 2]" 1
618 1 28 PHE QD 1 65 LEU MD1 . . 3.670 2.295 1.897 3.593 . 0 0 "[ . 1 . 2]" 1
619 1 28 PHE QD 1 78 TYR HB3 . . 5.500 5.257 4.626 5.507 0.007 14 0 "[ . 1 . 2]" 1
620 1 28 PHE QD 1 89 THR MG . . 4.280 3.261 2.680 3.635 . 0 0 "[ . 1 . 2]" 1
621 1 28 PHE QE 1 65 LEU MD1 . . 4.790 3.876 3.414 4.579 . 0 0 "[ . 1 . 2]" 1
622 1 28 PHE QE 1 67 ILE MD . . 3.720 2.060 1.781 3.200 . 0 0 "[ . 1 . 2]" 1
623 1 28 PHE QE 1 67 ILE HG13 . . 4.330 3.764 3.329 4.358 0.028 19 0 "[ . 1 . 2]" 1
624 1 28 PHE QE 1 78 TYR HB2 . . 4.740 4.469 2.895 4.714 . 0 0 "[ . 1 . 2]" 1
625 1 28 PHE QE 1 78 TYR HB3 . . 5.500 5.191 4.296 5.476 . 0 0 "[ . 1 . 2]" 1
626 1 28 PHE QE 1 78 TYR QD . . 4.420 4.001 3.400 4.314 . 0 0 "[ . 1 . 2]" 1
627 1 28 PHE QE 1 78 TYR QE . . 4.660 3.907 3.374 4.489 . 0 0 "[ . 1 . 2]" 1
628 1 28 PHE QE 1 89 THR MG . . 3.810 2.739 1.903 3.577 . 0 0 "[ . 1 . 2]" 1
629 1 28 PHE QE 1 91 LEU HB2 . . 4.270 3.805 3.445 3.931 . 0 0 "[ . 1 . 2]" 1
630 1 28 PHE QE 1 91 LEU MD2 . . 3.850 3.094 2.800 3.570 . 0 0 "[ . 1 . 2]" 1
631 1 28 PHE QE 1 91 LEU HG . . 4.760 3.810 3.503 4.165 . 0 0 "[ . 1 . 2]" 1
632 1 28 PHE HZ 1 67 ILE MD . . 4.100 4.019 3.451 4.112 0.012 20 0 "[ . 1 . 2]" 1
633 1 28 PHE HZ 1 78 TYR QD . . 4.640 3.827 3.297 4.226 . 0 0 "[ . 1 . 2]" 1
634 1 28 PHE HZ 1 89 THR MG . . 4.270 3.759 3.379 4.045 . 0 0 "[ . 1 . 2]" 1
635 1 28 PHE HZ 1 91 LEU H . . 5.210 5.060 4.738 5.216 0.006 19 0 "[ . 1 . 2]" 1
636 1 28 PHE HZ 1 91 LEU HB2 . . 3.760 2.598 2.095 2.729 . 0 0 "[ . 1 . 2]" 1
637 1 28 PHE HZ 1 91 LEU HB3 . . 4.320 4.257 3.828 4.324 0.004 17 0 "[ . 1 . 2]" 1
638 1 28 PHE HZ 1 91 LEU MD2 . . 3.670 2.223 2.021 2.665 . 0 0 "[ . 1 . 2]" 1
639 1 28 PHE HZ 1 91 LEU HG . . 5.350 3.295 3.003 3.725 . 0 0 "[ . 1 . 2]" 1
640 1 29 VAL H 1 29 VAL HB . . 3.390 3.026 2.495 3.373 . 0 0 "[ . 1 . 2]" 1
641 1 29 VAL H 1 29 VAL MG1 . . 4.270 2.796 1.962 3.859 . 0 0 "[ . 1 . 2]" 1
642 1 29 VAL H 1 29 VAL QG . . 2.920 2.325 1.955 2.741 . 0 0 "[ . 1 . 2]" 1
643 1 29 VAL H 1 29 VAL MG2 . . 4.270 3.373 2.602 3.895 . 0 0 "[ . 1 . 2]" 1
644 1 29 VAL H 1 30 VAL H . . 4.510 4.449 4.345 4.506 . 0 0 "[ . 1 . 2]" 1
645 1 29 VAL H 1 30 VAL MG1 . . 4.250 3.943 3.735 4.172 . 0 0 "[ . 1 . 2]" 1
646 1 29 VAL H 1 41 TRP HH2 . . 4.820 4.078 3.741 4.419 . 0 0 "[ . 1 . 2]" 1
647 1 29 VAL H 1 64 ILE MG . . 4.820 4.218 3.695 4.607 . 0 0 "[ . 1 . 2]" 1
648 1 29 VAL HA 1 29 VAL MG1 . . 3.510 2.878 2.351 3.201 . 0 0 "[ . 1 . 2]" 1
649 1 29 VAL HA 1 29 VAL MG2 . . 3.510 2.409 2.281 2.530 . 0 0 "[ . 1 . 2]" 1
650 1 29 VAL HA 1 30 VAL H . . 2.600 2.232 2.166 2.315 . 0 0 "[ . 1 . 2]" 1
651 1 29 VAL HA 1 30 VAL MG2 . . 4.280 3.577 3.339 3.859 . 0 0 "[ . 1 . 2]" 1
652 1 29 VAL HA 1 41 TRP HH2 . . 4.610 3.531 3.044 4.132 . 0 0 "[ . 1 . 2]" 1
653 1 29 VAL HA 1 41 TRP HZ2 . . 4.790 3.861 3.128 4.528 . 0 0 "[ . 1 . 2]" 1
654 1 29 VAL HB 1 30 VAL H . . 4.490 3.913 3.691 4.073 . 0 0 "[ . 1 . 2]" 1
655 1 29 VAL HB 1 64 ILE HG12 . . 5.500 3.676 1.999 5.497 . 0 0 "[ . 1 . 2]" 1
656 1 29 VAL QG 1 30 VAL H . . 2.870 2.124 1.932 2.437 . 0 0 "[ . 1 . 2]" 1
657 1 29 VAL QG 1 30 VAL HA . . 3.440 3.208 2.986 3.419 . 0 0 "[ . 1 . 2]" 1
658 1 29 VAL QG 1 31 GLU H . . 4.740 4.253 3.875 4.583 . 0 0 "[ . 1 . 2]" 1
659 1 29 VAL QG 1 31 GLU HA . . 5.110 4.384 4.186 4.508 . 0 0 "[ . 1 . 2]" 1
660 1 29 VAL QG 1 31 GLU QG . . 4.950 4.490 3.356 4.982 0.032 20 0 "[ . 1 . 2]" 1
661 1 29 VAL QG 1 62 GLN HA . . 4.720 3.958 3.616 4.581 . 0 0 "[ . 1 . 2]" 1
662 1 29 VAL QG 1 62 GLN HE21 . . 4.180 3.491 2.479 4.159 . 0 0 "[ . 1 . 2]" 1
663 1 29 VAL QG 1 62 GLN HE22 . . 4.020 3.508 2.247 3.999 . 0 0 "[ . 1 . 2]" 1
664 1 29 VAL QG 1 62 GLN QG . . 3.280 2.039 1.844 2.534 . 0 0 "[ . 1 . 2]" 1
665 1 29 VAL QG 1 63 ARG H . . 4.470 3.568 3.053 4.322 . 0 0 "[ . 1 . 2]" 1
666 1 29 VAL QG 1 63 ARG HA . . 5.360 4.650 3.987 5.251 . 0 0 "[ . 1 . 2]" 1
667 1 29 VAL QG 1 64 ILE HA . . 4.420 2.990 2.498 3.434 . 0 0 "[ . 1 . 2]" 1
668 1 29 VAL QG 1 64 ILE HB . . 5.440 4.212 3.678 4.698 . 0 0 "[ . 1 . 2]" 1
669 1 29 VAL QG 1 64 ILE HG13 . . 3.320 2.316 1.928 3.064 . 0 0 "[ . 1 . 2]" 1
670 1 29 VAL QG 1 64 ILE MG . . 3.520 2.634 1.764 3.191 . 0 0 "[ . 1 . 2]" 1
671 1 29 VAL QG 1 65 LEU H . . 4.700 4.049 3.496 4.494 . 0 0 "[ . 1 . 2]" 1
672 1 29 VAL MG1 1 30 VAL H . . 4.130 3.225 2.005 4.080 . 0 0 "[ . 1 . 2]" 1
673 1 29 VAL MG1 1 64 ILE HG13 . . 4.100 3.536 2.033 4.107 0.007 4 0 "[ . 1 . 2]" 1
674 1 29 VAL MG2 1 30 VAL H . . 4.130 2.823 1.939 3.996 . 0 0 "[ . 1 . 2]" 1
675 1 29 VAL MG2 1 64 ILE HG13 . . 4.100 2.492 1.994 3.566 . 0 0 "[ . 1 . 2]" 1
676 1 30 VAL H 1 30 VAL MG1 . . 3.720 3.140 2.973 3.329 . 0 0 "[ . 1 . 2]" 1
677 1 30 VAL H 1 30 VAL MG2 . . 3.190 2.163 1.882 2.448 . 0 0 "[ . 1 . 2]" 1
678 1 30 VAL H 1 41 TRP HH2 . . 4.690 4.399 4.110 4.626 . 0 0 "[ . 1 . 2]" 1
679 1 30 VAL H 1 41 TRP HZ2 . . 4.540 4.001 3.470 4.458 . 0 0 "[ . 1 . 2]" 1
680 1 30 VAL H 1 62 GLN HG2 . . 4.600 3.582 3.140 4.028 . 0 0 "[ . 1 . 2]" 1
681 1 30 VAL H 1 62 GLN QG . . 4.050 3.324 2.943 3.640 . 0 0 "[ . 1 . 2]" 1
682 1 30 VAL H 1 62 GLN HG3 . . 4.600 4.065 3.318 4.517 . 0 0 "[ . 1 . 2]" 1
683 1 30 VAL H 1 63 ARG H . . 3.420 3.085 2.675 3.421 0.001 17 0 "[ . 1 . 2]" 1
684 1 30 VAL H 1 63 ARG HB2 . . 4.800 3.886 3.560 4.564 . 0 0 "[ . 1 . 2]" 1
685 1 30 VAL H 1 64 ILE HG13 . . 4.400 4.076 3.604 4.406 0.006 10 0 "[ . 1 . 2]" 1
686 1 30 VAL H 1 64 ILE MG . . 5.310 4.923 4.603 5.308 . 0 0 "[ . 1 . 2]" 1
687 1 30 VAL H 1 65 LEU H . . 5.500 5.458 5.243 5.504 0.004 19 0 "[ . 1 . 2]" 1
688 1 30 VAL HA 1 30 VAL MG1 . . 3.320 2.277 2.156 2.391 . 0 0 "[ . 1 . 2]" 1
689 1 30 VAL HA 1 31 GLU H . . 2.860 2.280 2.149 2.488 . 0 0 "[ . 1 . 2]" 1
690 1 30 VAL HB 1 31 GLU H . . 3.280 2.759 2.199 3.295 0.015 20 0 "[ . 1 . 2]" 1
691 1 30 VAL MG1 1 31 GLU H . . 3.970 3.716 3.393 3.957 . 0 0 "[ . 1 . 2]" 1
692 1 30 VAL MG1 1 41 TRP HH2 . . 4.120 2.923 2.441 3.430 . 0 0 "[ . 1 . 2]" 1
693 1 30 VAL MG1 1 41 TRP HZ2 . . 4.390 3.599 3.141 4.160 . 0 0 "[ . 1 . 2]" 1
694 1 30 VAL MG1 1 63 ARG H . . 5.500 5.106 4.905 5.348 . 0 0 "[ . 1 . 2]" 1
695 1 30 VAL MG1 1 80 VAL MG1 . . 3.310 2.312 1.875 2.618 . 0 0 "[ . 1 . 2]" 1
696 1 30 VAL MG2 1 31 GLU H . . 3.980 3.753 3.294 3.989 0.009 11 0 "[ . 1 . 2]" 1
697 1 30 VAL MG2 1 31 GLU HA . . 5.500 4.114 3.852 4.363 . 0 0 "[ . 1 . 2]" 1
698 1 30 VAL MG2 1 32 LEU HG . . 4.160 3.602 3.373 3.925 . 0 0 "[ . 1 . 2]" 1
699 1 30 VAL MG2 1 41 TRP HZ2 . . 3.670 2.572 2.055 3.130 . 0 0 "[ . 1 . 2]" 1
700 1 30 VAL MG2 1 63 ARG H . . 3.320 2.738 2.266 3.127 . 0 0 "[ . 1 . 2]" 1
701 1 30 VAL MG2 1 63 ARG HB2 . . 3.380 2.270 1.914 2.646 . 0 0 "[ . 1 . 2]" 1
702 1 30 VAL MG2 1 63 ARG HB3 . . 3.980 3.427 2.868 3.895 . 0 0 "[ . 1 . 2]" 1
703 1 30 VAL MG2 1 63 ARG HG2 . . 4.660 4.041 3.632 4.514 . 0 0 "[ . 1 . 2]" 1
704 1 30 VAL MG2 1 63 ARG QG . . 3.950 3.495 3.235 3.809 . 0 0 "[ . 1 . 2]" 1
705 1 30 VAL MG2 1 63 ARG HG3 . . 4.660 3.846 3.530 4.560 . 0 0 "[ . 1 . 2]" 1
706 1 30 VAL MG2 1 80 VAL MG2 . . 3.600 2.884 2.569 3.287 . 0 0 "[ . 1 . 2]" 1
707 1 31 GLU H 1 31 GLU QB . . 3.410 2.370 2.244 2.570 . 0 0 "[ . 1 . 2]" 1
708 1 31 GLU H 1 31 GLU QG . . 4.210 3.891 3.239 4.137 . 0 0 "[ . 1 . 2]" 1
709 1 31 GLU H 1 32 LEU H . . 4.580 4.524 4.443 4.566 . 0 0 "[ . 1 . 2]" 1
710 1 31 GLU H 1 32 LEU MD2 . . 5.210 4.786 4.409 5.017 . 0 0 "[ . 1 . 2]" 1
711 1 31 GLU HA 1 31 GLU QG . . 3.760 2.290 2.159 2.377 . 0 0 "[ . 1 . 2]" 1
712 1 31 GLU HA 1 32 LEU H . . 2.800 2.300 2.199 2.393 . 0 0 "[ . 1 . 2]" 1
713 1 31 GLU HA 1 32 LEU MD1 . . 5.500 4.388 4.248 4.745 . 0 0 "[ . 1 . 2]" 1
714 1 31 GLU HA 1 32 LEU HG . . 4.240 3.342 3.222 3.571 . 0 0 "[ . 1 . 2]" 1
715 1 31 GLU HA 1 62 GLN H . . 5.380 5.090 4.801 5.380 0.000 18 0 "[ . 1 . 2]" 1
716 1 31 GLU HA 1 62 GLN HA . . 3.570 2.608 2.337 2.804 . 0 0 "[ . 1 . 2]" 1
717 1 31 GLU HA 1 63 ARG H . . 3.880 3.761 3.575 3.881 0.001 19 0 "[ . 1 . 2]" 1
718 1 31 GLU QB 1 32 LEU H . . 3.770 3.090 2.577 3.526 . 0 0 "[ . 1 . 2]" 1
719 1 31 GLU QG 1 32 LEU H . . 3.800 2.650 1.901 3.580 . 0 0 "[ . 1 . 2]" 1
720 1 31 GLU QG 1 61 CYS HB2 . . 4.750 3.935 2.984 4.643 . 0 0 "[ . 1 . 2]" 1
721 1 31 GLU QG 1 61 CYS QB . . 3.970 3.589 2.944 3.971 0.001 8 0 "[ . 1 . 2]" 1
722 1 31 GLU QG 1 61 CYS HB3 . . 4.750 4.282 3.552 4.744 . 0 0 "[ . 1 . 2]" 1
723 1 31 GLU QG 1 62 GLN HA . . 4.430 3.597 3.151 4.155 . 0 0 "[ . 1 . 2]" 1
724 1 31 GLU QG 1 62 GLN QG . . 4.460 3.277 2.294 4.231 . 0 0 "[ . 1 . 2]" 1
725 1 32 LEU H 1 32 LEU HB2 . . 3.120 2.778 2.637 2.897 . 0 0 "[ . 1 . 2]" 1
726 1 32 LEU H 1 32 LEU HB3 . . 3.950 3.821 3.743 3.892 . 0 0 "[ . 1 . 2]" 1
727 1 32 LEU H 1 32 LEU MD1 . . 3.760 3.645 3.432 3.750 . 0 0 "[ . 1 . 2]" 1
728 1 32 LEU H 1 32 LEU MD2 . . 4.060 3.988 3.839 4.060 . 0 0 "[ . 1 . 2]" 1
729 1 32 LEU H 1 32 LEU HG . . 3.360 2.762 2.505 2.882 . 0 0 "[ . 1 . 2]" 1
730 1 32 LEU H 1 33 ALA H . . 4.500 4.303 4.196 4.435 . 0 0 "[ . 1 . 2]" 1
731 1 32 LEU H 1 61 CYS HB2 . . 4.230 3.807 2.474 4.241 0.011 19 0 "[ . 1 . 2]" 1
732 1 32 LEU H 1 61 CYS QB . . 3.420 2.904 2.458 3.412 . 0 0 "[ . 1 . 2]" 1
733 1 32 LEU H 1 61 CYS HB3 . . 4.230 3.242 2.497 4.231 0.001 12 0 "[ . 1 . 2]" 1
734 1 32 LEU H 1 62 GLN HA . . 4.070 3.821 3.583 4.067 . 0 0 "[ . 1 . 2]" 1
735 1 32 LEU HB2 1 32 LEU MD1 . . 3.240 2.127 2.001 2.227 . 0 0 "[ . 1 . 2]" 1
736 1 32 LEU HB2 1 33 ALA H . . 4.230 4.074 3.962 4.230 . 0 0 "[ . 1 . 2]" 1
737 1 32 LEU HB2 1 34 ASP H . . 3.580 3.355 3.149 3.514 . 0 0 "[ . 1 . 2]" 1
738 1 32 LEU HB2 1 35 PRO HA . . 3.990 3.790 3.655 3.933 . 0 0 "[ . 1 . 2]" 1
739 1 32 LEU HB2 1 61 CYS HA . . 4.290 3.587 2.929 4.127 . 0 0 "[ . 1 . 2]" 1
740 1 32 LEU HB2 1 61 CYS HB2 . . 4.820 4.501 2.776 4.818 . 0 0 "[ . 1 . 2]" 1
741 1 32 LEU HB2 1 61 CYS QB . . 4.000 3.059 2.713 3.283 . 0 0 "[ . 1 . 2]" 1
742 1 32 LEU HB2 1 61 CYS HB3 . . 4.820 3.221 2.814 4.066 . 0 0 "[ . 1 . 2]" 1
743 1 32 LEU HB3 1 32 LEU MD2 . . 3.450 2.139 2.020 2.262 . 0 0 "[ . 1 . 2]" 1
744 1 32 LEU HB3 1 33 ALA H . . 3.650 3.297 3.117 3.544 . 0 0 "[ . 1 . 2]" 1
745 1 32 LEU HB3 1 34 ASP H . . 3.360 2.849 2.714 2.990 . 0 0 "[ . 1 . 2]" 1
746 1 32 LEU HB3 1 35 PRO HA . . 4.610 4.568 4.401 4.613 0.003 20 0 "[ . 1 . 2]" 1
747 1 32 LEU MD1 1 35 PRO HA . . 3.580 3.265 3.086 3.489 . 0 0 "[ . 1 . 2]" 1
748 1 32 LEU MD1 1 37 LEU H . . 5.370 4.732 4.379 4.949 . 0 0 "[ . 1 . 2]" 1
749 1 32 LEU MD1 1 37 LEU HB2 . . 4.060 3.695 3.257 3.908 . 0 0 "[ . 1 . 2]" 1
750 1 32 LEU MD1 1 61 CYS HA . . 4.600 3.090 2.673 3.553 . 0 0 "[ . 1 . 2]" 1
751 1 32 LEU MD1 1 62 GLN H . . 4.500 4.046 2.740 4.406 . 0 0 "[ . 1 . 2]" 1
752 1 32 LEU MD2 1 33 ALA H . . 4.070 3.949 3.780 4.050 . 0 0 "[ . 1 . 2]" 1
753 1 32 LEU MD2 1 34 ASP H . . 4.580 4.435 4.219 4.554 . 0 0 "[ . 1 . 2]" 1
754 1 32 LEU MD2 1 37 LEU H . . 5.500 5.275 4.955 5.434 . 0 0 "[ . 1 . 2]" 1
755 1 32 LEU MD2 1 37 LEU HB2 . . 3.850 3.394 3.060 3.607 . 0 0 "[ . 1 . 2]" 1
756 1 32 LEU MD2 1 37 LEU HB3 . . 4.210 3.795 3.442 4.100 . 0 0 "[ . 1 . 2]" 1
757 1 33 ALA H 1 33 ALA MB . . 2.890 2.120 2.026 2.234 . 0 0 "[ . 1 . 2]" 1
758 1 33 ALA H 1 34 ASP H . . 3.140 2.753 2.565 2.934 . 0 0 "[ . 1 . 2]" 1
759 1 33 ALA H 1 34 ASP QB . . 5.340 4.977 4.721 5.234 . 0 0 "[ . 1 . 2]" 1
760 1 33 ALA H 1 37 LEU QD . . 5.350 3.586 3.046 4.572 . 0 0 "[ . 1 . 2]" 1
761 1 33 ALA MB 1 34 ASP H . . 3.510 2.884 2.759 3.070 . 0 0 "[ . 1 . 2]" 1
762 1 33 ALA MB 1 34 ASP QB . . 5.070 3.506 3.136 3.841 . 0 0 "[ . 1 . 2]" 1
763 1 34 ASP H 1 34 ASP HB2 . . 4.000 2.891 2.718 3.690 . 0 0 "[ . 1 . 2]" 1
764 1 34 ASP H 1 34 ASP QB . . 3.240 2.781 2.660 3.252 0.012 20 0 "[ . 1 . 2]" 1
765 1 34 ASP H 1 34 ASP HB3 . . 4.000 3.761 3.103 3.954 . 0 0 "[ . 1 . 2]" 1
766 1 34 ASP H 1 35 PRO HD2 . . 4.860 4.791 4.744 4.809 . 0 0 "[ . 1 . 2]" 1
767 1 34 ASP H 1 35 PRO HD3 . . 4.860 4.686 4.497 4.771 . 0 0 "[ . 1 . 2]" 1
768 1 34 ASP H 1 37 LEU HB2 . . 4.710 4.046 3.656 4.519 . 0 0 "[ . 1 . 2]" 1
769 1 34 ASP H 1 37 LEU QD . . 3.910 2.818 1.968 3.830 . 0 0 "[ . 1 . 2]" 1
770 1 34 ASP H 1 37 LEU HG . . 5.220 4.308 3.994 4.805 . 0 0 "[ . 1 . 2]" 1
771 1 34 ASP HA 1 35 PRO HD2 . . 3.220 2.239 2.054 2.321 . 0 0 "[ . 1 . 2]" 1
772 1 34 ASP HA 1 35 PRO HD3 . . 3.220 2.258 2.252 2.273 . 0 0 "[ . 1 . 2]" 1
773 1 34 ASP HA 1 35 PRO QG . . 4.500 3.906 3.811 3.953 . 0 0 "[ . 1 . 2]" 1
774 1 34 ASP HA 1 36 LYS H . . 4.130 3.888 3.736 4.026 . 0 0 "[ . 1 . 2]" 1
775 1 34 ASP QB 1 36 LYS H . . 4.120 2.506 2.208 2.921 . 0 0 "[ . 1 . 2]" 1
776 1 34 ASP QB 1 37 LEU H . . 3.840 3.164 2.867 3.407 . 0 0 "[ . 1 . 2]" 1
777 1 34 ASP QB 1 37 LEU HB2 . . 4.760 4.160 3.621 4.626 . 0 0 "[ . 1 . 2]" 1
778 1 34 ASP QB 1 37 LEU QD . . 3.310 2.829 2.039 3.328 0.018 20 0 "[ . 1 . 2]" 1
779 1 34 ASP QB 1 37 LEU HG . . 3.680 2.952 2.505 3.363 . 0 0 "[ . 1 . 2]" 1
780 1 34 ASP HB2 1 36 LYS H . . 4.770 3.756 2.729 4.369 . 0 0 "[ . 1 . 2]" 1
781 1 34 ASP HB2 1 37 LEU H . . 4.640 3.693 2.914 4.635 . 0 0 "[ . 1 . 2]" 1
782 1 34 ASP HB2 1 37 LEU HG . . 4.520 3.173 2.588 4.302 . 0 0 "[ . 1 . 2]" 1
783 1 34 ASP HB3 1 36 LYS H . . 4.770 2.613 2.230 4.155 . 0 0 "[ . 1 . 2]" 1
784 1 34 ASP HB3 1 37 LEU H . . 4.640 3.591 2.895 4.637 . 0 0 "[ . 1 . 2]" 1
785 1 34 ASP HB3 1 37 LEU HG . . 4.520 3.898 2.538 4.449 . 0 0 "[ . 1 . 2]" 1
786 1 35 PRO HA 1 37 LEU H . . 4.550 4.018 3.754 4.282 . 0 0 "[ . 1 . 2]" 1
787 1 35 PRO HA 1 61 CYS HA . . 4.050 3.753 3.359 4.037 . 0 0 "[ . 1 . 2]" 1
788 1 35 PRO HB2 1 36 LYS H . . 4.250 3.565 3.383 3.846 . 0 0 "[ . 1 . 2]" 1
789 1 35 PRO HB2 1 37 LEU H . . 5.500 5.330 5.016 5.499 . 0 0 "[ . 1 . 2]" 1
790 1 35 PRO HB2 1 61 CYS HA . . 5.500 5.334 5.082 5.501 0.001 3 0 "[ . 1 . 2]" 1
791 1 35 PRO HB3 1 36 LYS H . . 4.540 4.275 4.168 4.436 . 0 0 "[ . 1 . 2]" 1
792 1 35 PRO HB3 1 61 CYS HA . . 4.310 3.806 3.549 4.138 . 0 0 "[ . 1 . 2]" 1
793 1 35 PRO QD 1 36 LYS H . . 3.410 2.658 2.604 2.821 . 0 0 "[ . 1 . 2]" 1
794 1 35 PRO HD2 1 36 LYS H . . 4.130 2.708 2.648 2.887 . 0 0 "[ . 1 . 2]" 1
795 1 35 PRO HD3 1 36 LYS H . . 4.130 3.873 3.839 3.968 . 0 0 "[ . 1 . 2]" 1
796 1 35 PRO QG 1 36 LYS H . . 4.130 2.654 2.408 3.069 . 0 0 "[ . 1 . 2]" 1
797 1 35 PRO HG2 1 36 LYS H . . 4.840 2.688 2.430 3.128 . 0 0 "[ . 1 . 2]" 1
798 1 35 PRO HG3 1 36 LYS H . . 4.840 4.118 3.925 4.450 . 0 0 "[ . 1 . 2]" 1
799 1 36 LYS H 1 36 LYS QB . . 2.800 2.345 2.115 2.564 . 0 0 "[ . 1 . 2]" 1
800 1 36 LYS H 1 36 LYS QD . . 4.240 3.794 1.968 4.284 0.044 8 0 "[ . 1 . 2]" 1
801 1 36 LYS H 1 36 LYS HG2 . . 4.540 3.332 2.060 4.565 0.025 8 0 "[ . 1 . 2]" 1
802 1 36 LYS H 1 36 LYS QG . . 3.880 2.603 1.943 3.917 0.037 8 0 "[ . 1 . 2]" 1
803 1 36 LYS H 1 36 LYS HG3 . . 4.540 2.976 1.961 4.263 . 0 0 "[ . 1 . 2]" 1
804 1 36 LYS H 1 37 LEU H . . 2.860 2.684 2.516 2.823 . 0 0 "[ . 1 . 2]" 1
805 1 36 LYS HA 1 36 LYS QD . . 4.050 3.383 2.062 4.121 0.071 6 0 "[ . 1 . 2]" 1
806 1 36 LYS HA 1 36 LYS HG2 . . 4.110 2.881 2.226 4.187 0.077 14 0 "[ . 1 . 2]" 1
807 1 36 LYS HA 1 36 LYS QG . . 3.470 2.538 2.151 3.394 . 0 0 "[ . 1 . 2]" 1
808 1 36 LYS HA 1 36 LYS HG3 . . 4.110 3.151 2.172 3.807 . 0 0 "[ . 1 . 2]" 1
809 1 36 LYS HA 1 37 LEU H . . 3.550 3.511 3.453 3.544 . 0 0 "[ . 1 . 2]" 1
810 1 36 LYS HA 1 37 LEU HA . . 5.020 4.766 4.707 4.827 . 0 0 "[ . 1 . 2]" 1
811 1 36 LYS QB 1 36 LYS QE . . 3.780 3.190 2.097 3.762 . 0 0 "[ . 1 . 2]" 1
812 1 36 LYS QB 1 37 LEU H . . 3.530 2.782 2.510 3.549 0.019 6 0 "[ . 1 . 2]" 1
813 1 36 LYS QB 1 37 LEU QD . . 4.570 3.715 3.132 4.527 . 0 0 "[ . 1 . 2]" 1
814 1 36 LYS HG2 1 37 LEU H . . 5.500 4.722 3.103 5.322 . 0 0 "[ . 1 . 2]" 1
815 1 36 LYS HG3 1 37 LEU H . . 5.500 4.413 2.251 5.074 . 0 0 "[ . 1 . 2]" 1
816 1 37 LEU H 1 37 LEU HB2 . . 2.780 2.461 2.279 2.582 . 0 0 "[ . 1 . 2]" 1
817 1 37 LEU H 1 37 LEU HB3 . . 3.760 3.584 3.552 3.611 . 0 0 "[ . 1 . 2]" 1
818 1 37 LEU H 1 37 LEU MD1 . . 4.140 3.482 3.132 3.723 . 0 0 "[ . 1 . 2]" 1
819 1 37 LEU H 1 37 LEU QD . . 3.570 3.101 2.962 3.339 . 0 0 "[ . 1 . 2]" 1
820 1 37 LEU H 1 37 LEU MD2 . . 4.140 3.534 3.153 3.929 . 0 0 "[ . 1 . 2]" 1
821 1 37 LEU H 1 37 LEU HG . . 3.050 2.331 2.092 2.774 . 0 0 "[ . 1 . 2]" 1
822 1 37 LEU H 1 38 GLU H . . 5.100 4.617 4.573 4.644 . 0 0 "[ . 1 . 2]" 1
823 1 37 LEU HA 1 37 LEU MD1 . . 4.330 3.896 3.848 3.939 . 0 0 "[ . 1 . 2]" 1
824 1 37 LEU HA 1 37 LEU QD . . 2.970 2.158 1.962 2.393 . 0 0 "[ . 1 . 2]" 1
825 1 37 LEU HA 1 37 LEU MD2 . . 4.330 2.170 1.968 2.416 . 0 0 "[ . 1 . 2]" 1
826 1 37 LEU HA 1 37 LEU HG . . 4.080 3.001 2.719 3.229 . 0 0 "[ . 1 . 2]" 1
827 1 37 LEU HA 1 38 GLU H . . 2.600 2.284 2.169 2.408 . 0 0 "[ . 1 . 2]" 1
828 1 37 LEU HA 1 38 GLU HA . . 4.580 4.372 4.353 4.394 . 0 0 "[ . 1 . 2]" 1
829 1 37 LEU HA 1 38 GLU QB . . 4.470 4.071 3.937 4.280 . 0 0 "[ . 1 . 2]" 1
830 1 37 LEU HA 1 82 ALA MB . . 5.500 4.905 4.670 5.165 . 0 0 "[ . 1 . 2]" 1
831 1 37 LEU HB2 1 37 LEU MD1 . . 3.590 2.233 2.010 2.335 . 0 0 "[ . 1 . 2]" 1
832 1 37 LEU HB2 1 37 LEU QD . . 3.060 2.190 1.988 2.279 . 0 0 "[ . 1 . 2]" 1
833 1 37 LEU HB2 1 37 LEU MD2 . . 3.590 3.171 3.136 3.193 . 0 0 "[ . 1 . 2]" 1
834 1 37 LEU HB2 1 38 GLU H . . 4.450 3.858 3.485 4.214 . 0 0 "[ . 1 . 2]" 1
835 1 37 LEU HB2 1 82 ALA MB . . 4.400 3.500 3.244 3.780 . 0 0 "[ . 1 . 2]" 1
836 1 37 LEU HB3 1 37 LEU MD1 . . 3.600 2.452 2.324 2.626 . 0 0 "[ . 1 . 2]" 1
837 1 37 LEU HB3 1 37 LEU QD . . 3.080 2.086 2.024 2.139 . 0 0 "[ . 1 . 2]" 1
838 1 37 LEU HB3 1 37 LEU MD2 . . 3.600 2.267 2.136 2.358 . 0 0 "[ . 1 . 2]" 1
839 1 37 LEU HB3 1 38 GLU H . . 3.420 2.754 2.436 3.170 . 0 0 "[ . 1 . 2]" 1
840 1 37 LEU HB3 1 82 ALA MB . . 4.180 2.813 2.573 3.137 . 0 0 "[ . 1 . 2]" 1
841 1 37 LEU HB3 1 83 GLY H . . 4.190 3.603 2.990 4.026 . 0 0 "[ . 1 . 2]" 1
842 1 37 LEU QD 1 38 GLU H . . 3.400 3.247 2.892 3.400 0.000 12 0 "[ . 1 . 2]" 1
843 1 37 LEU QD 1 83 GLY H . . 3.710 3.342 2.930 3.711 0.001 16 0 "[ . 1 . 2]" 1
844 1 37 LEU QD 1 83 GLY HA2 . . 3.980 2.650 2.329 3.110 . 0 0 "[ . 1 . 2]" 1
845 1 37 LEU QD 1 83 GLY HA3 . . 3.890 2.098 1.912 2.364 . 0 0 "[ . 1 . 2]" 1
846 1 37 LEU MD1 1 83 GLY HA2 . . 5.500 4.436 3.509 5.209 . 0 0 "[ . 1 . 2]" 1
847 1 37 LEU MD1 1 83 GLY HA3 . . 4.740 3.265 2.296 4.191 . 0 0 "[ . 1 . 2]" 1
848 1 37 LEU MD2 1 83 GLY HA2 . . 5.500 2.675 2.347 3.135 . 0 0 "[ . 1 . 2]" 1
849 1 37 LEU MD2 1 83 GLY HA3 . . 4.740 2.169 1.961 2.586 . 0 0 "[ . 1 . 2]" 1
850 1 37 LEU HG 1 82 ALA MB . . 5.090 5.079 5.047 5.091 0.001 13 0 "[ . 1 . 2]" 1
851 1 38 GLU H 1 38 GLU HB2 . . 3.630 2.803 2.236 3.651 0.021 17 0 "[ . 1 . 2]" 1
852 1 38 GLU H 1 38 GLU QB . . 2.890 2.402 2.212 2.550 . 0 0 "[ . 1 . 2]" 1
853 1 38 GLU H 1 38 GLU HB3 . . 3.630 2.866 2.407 3.582 . 0 0 "[ . 1 . 2]" 1
854 1 38 GLU H 1 38 GLU HG2 . . 4.840 4.265 2.286 4.826 . 0 0 "[ . 1 . 2]" 1
855 1 38 GLU H 1 38 GLU QG . . 4.210 3.716 2.267 4.200 . 0 0 "[ . 1 . 2]" 1
856 1 38 GLU H 1 38 GLU HG3 . . 4.840 4.213 2.338 4.618 . 0 0 "[ . 1 . 2]" 1
857 1 38 GLU H 1 82 ALA MB . . 4.800 4.179 3.805 4.605 . 0 0 "[ . 1 . 2]" 1
858 1 38 GLU H 1 83 GLY H . . 4.560 3.464 3.091 3.861 . 0 0 "[ . 1 . 2]" 1
859 1 38 GLU HA 1 38 GLU HG2 . . 4.200 3.441 2.591 4.231 0.031 2 0 "[ . 1 . 2]" 1
860 1 38 GLU HA 1 38 GLU QG . . 3.680 2.644 2.157 3.437 . 0 0 "[ . 1 . 2]" 1
861 1 38 GLU HA 1 38 GLU HG3 . . 4.200 2.840 2.189 4.193 . 0 0 "[ . 1 . 2]" 1
862 1 38 GLU HA 1 39 VAL H . . 2.570 2.388 2.241 2.577 0.007 2 0 "[ . 1 . 2]" 1
863 1 38 GLU HA 1 39 VAL MG2 . . 4.200 3.735 3.490 3.895 . 0 0 "[ . 1 . 2]" 1
864 1 38 GLU QB 1 39 VAL H . . 3.500 2.913 2.099 3.463 . 0 0 "[ . 1 . 2]" 1
865 1 38 GLU HB2 1 39 VAL H . . 4.330 3.633 2.227 4.210 . 0 0 "[ . 1 . 2]" 1
866 1 38 GLU HB3 1 39 VAL H . . 4.330 3.343 2.113 3.882 . 0 0 "[ . 1 . 2]" 1
867 1 38 GLU QG 1 39 VAL H . . 3.640 2.599 1.922 3.529 . 0 0 "[ . 1 . 2]" 1
868 1 38 GLU QG 1 39 VAL MG2 . . 5.340 3.933 3.273 4.985 . 0 0 "[ . 1 . 2]" 1
869 1 38 GLU HG2 1 39 VAL H . . 4.220 3.367 1.934 4.225 0.005 2 0 "[ . 1 . 2]" 1
870 1 38 GLU HG3 1 39 VAL H . . 4.220 2.963 2.027 3.997 . 0 0 "[ . 1 . 2]" 1
871 1 39 VAL H 1 39 VAL HB . . 3.890 3.800 3.713 3.893 0.003 2 0 "[ . 1 . 2]" 1
872 1 39 VAL H 1 39 VAL MG1 . . 3.640 2.966 2.693 3.194 . 0 0 "[ . 1 . 2]" 1
873 1 39 VAL H 1 39 VAL MG2 . . 3.070 2.160 1.986 2.319 . 0 0 "[ . 1 . 2]" 1
874 1 39 VAL H 1 40 LYS H . . 4.680 4.430 4.325 4.527 . 0 0 "[ . 1 . 2]" 1
875 1 39 VAL H 1 82 ALA HA . . 5.500 5.172 4.961 5.294 . 0 0 "[ . 1 . 2]" 1
876 1 39 VAL HA 1 39 VAL MG1 . . 3.460 2.283 2.210 2.405 . 0 0 "[ . 1 . 2]" 1
877 1 39 VAL HA 1 40 LYS H . . 2.690 2.237 2.201 2.291 . 0 0 "[ . 1 . 2]" 1
878 1 39 VAL HA 1 80 VAL MG2 . . 4.570 3.217 3.125 3.389 . 0 0 "[ . 1 . 2]" 1
879 1 39 VAL HA 1 81 THR H . . 4.560 4.213 3.991 4.437 . 0 0 "[ . 1 . 2]" 1
880 1 39 VAL HA 1 82 ALA HA . . 3.900 3.300 3.138 3.460 . 0 0 "[ . 1 . 2]" 1
881 1 39 VAL HA 1 82 ALA MB . . 4.180 3.047 2.641 3.303 . 0 0 "[ . 1 . 2]" 1
882 1 39 VAL HA 1 83 GLY H . . 5.410 5.162 4.967 5.378 . 0 0 "[ . 1 . 2]" 1
883 1 39 VAL HB 1 40 LYS H . . 3.060 2.842 2.667 2.979 . 0 0 "[ . 1 . 2]" 1
884 1 39 VAL HB 1 41 TRP HE1 . . 4.480 3.584 3.414 3.734 . 0 0 "[ . 1 . 2]" 1
885 1 39 VAL HB 1 80 VAL MG1 . . 4.760 4.701 4.479 4.760 0.000 3 0 "[ . 1 . 2]" 1
886 1 39 VAL HB 1 80 VAL MG2 . . 3.510 2.660 2.473 2.769 . 0 0 "[ . 1 . 2]" 1
887 1 39 VAL HB 1 81 THR H . . 5.060 4.927 4.517 5.060 0.000 18 0 "[ . 1 . 2]" 1
888 1 39 VAL HB 1 82 ALA MB . . 4.710 4.240 3.856 4.473 . 0 0 "[ . 1 . 2]" 1
889 1 39 VAL MG1 1 40 LYS H . . 3.810 3.762 3.665 3.813 0.003 12 0 "[ . 1 . 2]" 1
890 1 39 VAL MG1 1 41 TRP HD1 . . 5.500 5.479 5.430 5.506 0.006 19 0 "[ . 1 . 2]" 1
891 1 39 VAL MG1 1 41 TRP HE1 . . 4.630 4.425 4.350 4.500 . 0 0 "[ . 1 . 2]" 1
892 1 39 VAL MG1 1 63 ARG H . . 5.500 4.560 4.224 4.985 . 0 0 "[ . 1 . 2]" 1
893 1 39 VAL MG1 1 63 ARG HB3 . . 4.700 3.883 3.568 4.390 . 0 0 "[ . 1 . 2]" 1
894 1 39 VAL MG1 1 63 ARG HG2 . . 4.630 3.216 2.326 3.938 . 0 0 "[ . 1 . 2]" 1
895 1 39 VAL MG1 1 63 ARG QG . . 4.040 2.111 1.895 2.595 . 0 0 "[ . 1 . 2]" 1
896 1 39 VAL MG1 1 63 ARG HG3 . . 4.630 2.218 1.913 3.932 . 0 0 "[ . 1 . 2]" 1
897 1 39 VAL MG1 1 80 VAL MG2 . . 3.320 3.100 2.891 3.256 . 0 0 "[ . 1 . 2]" 1
898 1 39 VAL MG2 1 40 LYS H . . 3.940 3.800 3.615 3.940 . 16 0 "[ . 1 . 2]" 1
899 1 39 VAL MG2 1 41 TRP HD1 . . 4.270 3.677 3.481 3.880 . 0 0 "[ . 1 . 2]" 1
900 1 39 VAL MG2 1 41 TRP HE1 . . 3.320 3.019 2.691 3.329 0.009 19 0 "[ . 1 . 2]" 1
901 1 39 VAL MG2 1 63 ARG HB3 . . 3.990 3.107 2.715 3.579 . 0 0 "[ . 1 . 2]" 1
902 1 39 VAL MG2 1 63 ARG QD . . 4.060 2.575 1.927 3.313 . 0 0 "[ . 1 . 2]" 1
903 1 39 VAL MG2 1 63 ARG HG2 . . 3.830 3.301 1.806 3.627 . 0 0 "[ . 1 . 2]" 1
904 1 39 VAL MG2 1 63 ARG HG3 . . 3.830 2.036 1.821 2.660 . 0 0 "[ . 1 . 2]" 1
905 1 39 VAL MG2 1 80 VAL MG2 . . 4.100 3.828 3.610 3.943 . 0 0 "[ . 1 . 2]" 1
906 1 40 LYS H 1 40 LYS QD . . 4.760 4.505 4.195 4.758 . 0 0 "[ . 1 . 2]" 1
907 1 40 LYS H 1 40 LYS QG . . 3.640 3.324 3.069 3.619 . 0 0 "[ . 1 . 2]" 1
908 1 40 LYS H 1 41 TRP H . . 4.420 4.155 4.091 4.232 . 0 0 "[ . 1 . 2]" 1
909 1 40 LYS H 1 41 TRP HA . . 4.790 4.596 4.528 4.673 . 0 0 "[ . 1 . 2]" 1
910 1 40 LYS H 1 42 TYR QE . . 4.760 4.448 4.159 4.662 . 0 0 "[ . 1 . 2]" 1
911 1 40 LYS H 1 80 VAL HA . . 4.120 4.013 3.946 4.124 0.004 19 0 "[ . 1 . 2]" 1
912 1 40 LYS H 1 80 VAL MG1 . . 4.780 4.690 4.618 4.787 0.007 13 0 "[ . 1 . 2]" 1
913 1 40 LYS H 1 80 VAL MG2 . . 3.790 2.223 2.052 2.349 . 0 0 "[ . 1 . 2]" 1
914 1 40 LYS H 1 81 THR H . . 3.360 2.642 2.493 2.788 . 0 0 "[ . 1 . 2]" 1
915 1 40 LYS H 1 81 THR HB . . 5.500 5.339 5.077 5.506 0.006 14 0 "[ . 1 . 2]" 1
916 1 40 LYS H 1 81 THR MG . . 5.020 4.789 4.579 4.987 . 0 0 "[ . 1 . 2]" 1
917 1 40 LYS HA 1 40 LYS QD . . 4.380 3.564 1.994 4.129 . 0 0 "[ . 1 . 2]" 1
918 1 40 LYS HA 1 40 LYS QG . . 3.540 2.469 2.303 2.865 . 0 0 "[ . 1 . 2]" 1
919 1 40 LYS HA 1 41 TRP H . . 2.700 2.145 2.143 2.153 . 0 0 "[ . 1 . 2]" 1
920 1 40 LYS HA 1 41 TRP HD1 . . 4.090 3.309 3.158 3.486 . 0 0 "[ . 1 . 2]" 1
921 1 40 LYS HA 1 81 THR H . . 4.870 4.795 4.722 4.869 . 0 0 "[ . 1 . 2]" 1
922 1 40 LYS HB2 1 40 LYS QD . . 3.860 2.599 2.253 3.295 . 0 0 "[ . 1 . 2]" 1
923 1 40 LYS HB2 1 41 TRP H . . 4.380 4.316 4.190 4.406 0.026 19 0 "[ . 1 . 2]" 1
924 1 40 LYS HB2 1 42 TYR QE . . 3.590 2.191 2.024 2.436 . 0 0 "[ . 1 . 2]" 1
925 1 40 LYS HB2 1 81 THR H . . 4.720 3.268 3.053 3.557 . 0 0 "[ . 1 . 2]" 1
926 1 40 LYS HB3 1 40 LYS QD . . 3.840 2.454 2.322 2.641 . 0 0 "[ . 1 . 2]" 1
927 1 40 LYS HB3 1 41 TRP H . . 3.710 3.382 3.323 3.420 . 0 0 "[ . 1 . 2]" 1
928 1 40 LYS HB3 1 42 TYR QE . . 3.380 2.200 2.002 2.443 . 0 0 "[ . 1 . 2]" 1
929 1 40 LYS HB3 1 81 THR H . . 5.320 4.458 4.239 4.781 . 0 0 "[ . 1 . 2]" 1
930 1 40 LYS HB3 1 81 THR MG . . 4.980 4.704 4.419 4.937 . 0 0 "[ . 1 . 2]" 1
931 1 40 LYS QD 1 41 TRP H . . 5.470 4.872 3.036 5.470 0.000 15 0 "[ . 1 . 2]" 1
932 1 40 LYS QD 1 42 TYR QE . . 4.260 3.210 2.858 4.030 . 0 0 "[ . 1 . 2]" 1
933 1 40 LYS QG 1 41 TRP H . . 4.760 4.160 3.806 4.652 . 0 0 "[ . 1 . 2]" 1
934 1 40 LYS QG 1 42 TYR QE . . 4.700 3.756 3.365 3.979 . 0 0 "[ . 1 . 2]" 1
935 1 41 TRP H 1 41 TRP HB2 . . 3.230 2.473 2.427 2.519 . 0 0 "[ . 1 . 2]" 1
936 1 41 TRP H 1 41 TRP HB3 . . 3.840 3.657 3.639 3.672 . 0 0 "[ . 1 . 2]" 1
937 1 41 TRP H 1 41 TRP HD1 . . 3.400 2.410 2.266 2.552 . 0 0 "[ . 1 . 2]" 1
938 1 41 TRP H 1 41 TRP HE1 . . 4.970 4.840 4.719 4.957 . 0 0 "[ . 1 . 2]" 1
939 1 41 TRP H 1 42 TYR H . . 4.770 4.513 4.471 4.556 . 0 0 "[ . 1 . 2]" 1
940 1 41 TRP H 1 42 TYR QE . . 4.890 4.716 4.496 4.878 . 0 0 "[ . 1 . 2]" 1
941 1 41 TRP H 1 48 ILE MD . . 4.690 4.535 4.286 4.704 0.014 4 0 "[ . 1 . 2]" 1
942 1 41 TRP H 1 48 ILE MG . . 5.500 5.369 4.967 5.500 0.000 4 0 "[ . 1 . 2]" 1
943 1 41 TRP H 1 80 VAL HA . . 5.000 4.986 4.942 5.002 0.002 11 0 "[ . 1 . 2]" 1
944 1 41 TRP H 1 80 VAL MG2 . . 4.810 4.036 3.892 4.203 . 0 0 "[ . 1 . 2]" 1
945 1 41 TRP HA 1 41 TRP HE3 . . 4.680 3.624 3.493 3.763 . 0 0 "[ . 1 . 2]" 1
946 1 41 TRP HA 1 42 TYR H . . 2.830 2.182 2.155 2.231 . 0 0 "[ . 1 . 2]" 1
947 1 41 TRP HA 1 42 TYR QD . . 4.330 3.459 3.118 3.648 . 0 0 "[ . 1 . 2]" 1
948 1 41 TRP HA 1 79 TYR H . . 4.960 4.640 4.511 4.800 . 0 0 "[ . 1 . 2]" 1
949 1 41 TRP HA 1 80 VAL HA . . 3.510 2.818 2.742 2.857 . 0 0 "[ . 1 . 2]" 1
950 1 41 TRP HA 1 80 VAL HB . . 4.660 3.466 3.345 3.635 . 0 0 "[ . 1 . 2]" 1
951 1 41 TRP HA 1 80 VAL MG2 . . 4.280 3.139 2.912 3.349 . 0 0 "[ . 1 . 2]" 1
952 1 41 TRP HA 1 81 THR H . . 4.330 4.294 4.199 4.333 0.003 14 0 "[ . 1 . 2]" 1
953 1 41 TRP HB2 1 41 TRP HE1 . . 5.130 4.836 4.819 4.854 . 0 0 "[ . 1 . 2]" 1
954 1 41 TRP HB2 1 42 TYR H . . 4.470 4.119 4.013 4.210 . 0 0 "[ . 1 . 2]" 1
955 1 41 TRP HB2 1 48 ILE H . . 4.520 4.043 3.745 4.177 . 0 0 "[ . 1 . 2]" 1
956 1 41 TRP HB2 1 48 ILE HB . . 3.940 2.579 2.092 2.776 . 0 0 "[ . 1 . 2]" 1
957 1 41 TRP HB2 1 48 ILE MD . . 3.870 2.767 2.631 2.970 . 0 0 "[ . 1 . 2]" 1
958 1 41 TRP HB2 1 48 ILE MG . . 4.200 3.602 3.071 3.793 . 0 0 "[ . 1 . 2]" 1
959 1 41 TRP HB2 1 56 PHE HZ . . 4.670 2.970 2.570 3.362 . 0 0 "[ . 1 . 2]" 1
960 1 41 TRP HB3 1 41 TRP HE3 . . 4.020 2.447 2.421 2.478 . 0 0 "[ . 1 . 2]" 1
961 1 41 TRP HB3 1 42 TYR H . . 3.770 3.120 2.911 3.282 . 0 0 "[ . 1 . 2]" 1
962 1 41 TRP HB3 1 48 ILE H . . 4.900 4.795 4.496 4.899 . 0 0 "[ . 1 . 2]" 1
963 1 41 TRP HB3 1 48 ILE HB . . 4.290 3.360 2.955 3.562 . 0 0 "[ . 1 . 2]" 1
964 1 41 TRP HB3 1 48 ILE MD . . 3.680 2.049 1.967 2.157 . 0 0 "[ . 1 . 2]" 1
965 1 41 TRP HB3 1 48 ILE MG . . 4.310 4.003 3.531 4.301 . 0 0 "[ . 1 . 2]" 1
966 1 41 TRP HB3 1 65 LEU MD1 . . 5.380 4.755 4.500 4.937 . 0 0 "[ . 1 . 2]" 1
967 1 41 TRP HD1 1 48 ILE MD . . 5.500 5.119 4.996 5.288 . 0 0 "[ . 1 . 2]" 1
968 1 41 TRP HD1 1 56 PHE QD . . 4.430 3.734 3.191 4.208 . 0 0 "[ . 1 . 2]" 1
969 1 41 TRP HD1 1 56 PHE QE . . 3.990 2.140 1.999 2.379 . 0 0 "[ . 1 . 2]" 1
970 1 41 TRP HE1 1 56 PHE QB . . 5.500 5.414 5.025 5.502 0.002 17 0 "[ . 1 . 2]" 1
971 1 41 TRP HE1 1 56 PHE QD . . 4.340 3.705 3.434 4.009 . 0 0 "[ . 1 . 2]" 1
972 1 41 TRP HE1 1 56 PHE QE . . 4.440 3.624 3.316 4.076 . 0 0 "[ . 1 . 2]" 1
973 1 41 TRP HE1 1 63 ARG HB2 . . 4.520 3.754 3.412 4.402 . 0 0 "[ . 1 . 2]" 1
974 1 41 TRP HE1 1 63 ARG HB3 . . 4.150 2.825 2.478 3.199 . 0 0 "[ . 1 . 2]" 1
975 1 41 TRP HE1 1 65 LEU HB2 . . 4.650 3.902 3.732 4.031 . 0 0 "[ . 1 . 2]" 1
976 1 41 TRP HE1 1 65 LEU HB3 . . 5.500 5.299 4.760 5.497 . 0 0 "[ . 1 . 2]" 1
977 1 41 TRP HE1 1 80 VAL MG2 . . 4.450 3.726 3.474 3.894 . 0 0 "[ . 1 . 2]" 1
978 1 41 TRP HE3 1 42 TYR H . . 4.610 4.153 3.751 4.456 . 0 0 "[ . 1 . 2]" 1
979 1 41 TRP HE3 1 48 ILE MD . . 4.720 3.419 3.116 3.624 . 0 0 "[ . 1 . 2]" 1
980 1 41 TRP HE3 1 65 LEU MD1 . . 4.190 4.089 3.610 4.199 0.009 15 0 "[ . 1 . 2]" 1
981 1 41 TRP HE3 1 78 TYR HB3 . . 5.260 3.473 3.099 3.643 . 0 0 "[ . 1 . 2]" 1
982 1 41 TRP HE3 1 79 TYR H . . 5.150 4.909 4.644 5.138 . 0 0 "[ . 1 . 2]" 1
983 1 41 TRP HE3 1 80 VAL HB . . 4.180 4.059 3.916 4.179 . 0 0 "[ . 1 . 2]" 1
984 1 41 TRP HE3 1 80 VAL MG2 . . 5.500 4.753 4.491 5.007 . 0 0 "[ . 1 . 2]" 1
985 1 41 TRP HH2 1 64 ILE HA . . 5.240 4.139 3.819 4.417 . 0 0 "[ . 1 . 2]" 1
986 1 41 TRP HH2 1 65 LEU H . . 4.320 3.889 3.444 4.244 . 0 0 "[ . 1 . 2]" 1
987 1 41 TRP HZ2 1 63 ARG H . . 5.330 5.019 4.750 5.327 . 0 0 "[ . 1 . 2]" 1
988 1 41 TRP HZ2 1 63 ARG HB2 . . 4.120 3.433 2.934 3.843 . 0 0 "[ . 1 . 2]" 1
989 1 41 TRP HZ2 1 63 ARG HB3 . . 4.040 3.249 2.768 3.590 . 0 0 "[ . 1 . 2]" 1
990 1 41 TRP HZ2 1 64 ILE H . . 4.900 4.748 4.409 4.901 0.001 3 0 "[ . 1 . 2]" 1
991 1 41 TRP HZ2 1 64 ILE HA . . 5.090 3.692 3.447 3.864 . 0 0 "[ . 1 . 2]" 1
992 1 41 TRP HZ2 1 65 LEU H . . 4.890 4.219 3.908 4.557 . 0 0 "[ . 1 . 2]" 1
993 1 41 TRP HZ3 1 65 LEU HG . . 5.150 4.143 3.710 4.653 . 0 0 "[ . 1 . 2]" 1
994 1 41 TRP HZ3 1 80 VAL MG1 . . 4.910 4.841 4.654 4.910 0.000 1 0 "[ . 1 . 2]" 1
995 1 42 TYR H 1 42 TYR HB2 . . 3.350 2.694 2.634 2.779 . 0 0 "[ . 1 . 2]" 1
996 1 42 TYR H 1 42 TYR HB3 . . 3.980 3.810 3.776 3.857 . 0 0 "[ . 1 . 2]" 1
997 1 42 TYR H 1 42 TYR QD . . 3.220 2.963 2.707 3.219 . 0 0 "[ . 1 . 2]" 1
998 1 42 TYR H 1 47 GLU HA . . 5.500 5.247 4.735 5.435 . 0 0 "[ . 1 . 2]" 1
999 1 42 TYR H 1 48 ILE MD . . 4.240 3.017 2.511 3.365 . 0 0 "[ . 1 . 2]" 1
1000 1 42 TYR H 1 78 TYR HB3 . . 4.890 4.354 4.206 4.673 . 0 0 "[ . 1 . 2]" 1
1001 1 42 TYR H 1 78 TYR QD . . 4.820 4.633 4.357 4.825 0.005 19 0 "[ . 1 . 2]" 1
1002 1 42 TYR H 1 79 TYR H . . 3.450 3.042 2.887 3.197 . 0 0 "[ . 1 . 2]" 1
1003 1 42 TYR H 1 79 TYR QD . . 4.660 4.510 4.414 4.585 . 0 0 "[ . 1 . 2]" 1
1004 1 42 TYR H 1 80 VAL HA . . 3.840 3.621 3.492 3.770 . 0 0 "[ . 1 . 2]" 1
1005 1 42 TYR H 1 80 VAL HB . . 4.840 4.694 4.583 4.844 0.004 4 0 "[ . 1 . 2]" 1
1006 1 42 TYR H 1 80 VAL MG2 . . 4.920 4.744 4.606 4.894 . 0 0 "[ . 1 . 2]" 1
1007 1 42 TYR H 1 81 THR H . . 5.500 5.400 5.211 5.497 . 0 0 "[ . 1 . 2]" 1
1008 1 42 TYR HA 1 42 TYR QD . . 4.290 2.962 2.861 3.115 . 0 0 "[ . 1 . 2]" 1
1009 1 42 TYR HA 1 43 LYS H . . 2.800 2.269 2.213 2.342 . 0 0 "[ . 1 . 2]" 1
1010 1 42 TYR HA 1 46 GLN H . . 4.250 3.937 3.811 4.056 . 0 0 "[ . 1 . 2]" 1
1011 1 42 TYR HA 1 47 GLU H . . 5.020 4.730 4.287 4.870 . 0 0 "[ . 1 . 2]" 1
1012 1 42 TYR HA 1 47 GLU HA . . 3.680 2.757 2.281 2.954 . 0 0 "[ . 1 . 2]" 1
1013 1 42 TYR HA 1 48 ILE H . . 3.580 2.870 2.505 3.168 . 0 0 "[ . 1 . 2]" 1
1014 1 42 TYR HA 1 48 ILE MD . . 4.630 3.006 2.674 3.336 . 0 0 "[ . 1 . 2]" 1
1015 1 42 TYR HA 1 48 ILE HG13 . . 4.330 2.333 2.090 2.578 . 0 0 "[ . 1 . 2]" 1
1016 1 42 TYR HB2 1 43 LYS H . . 4.730 3.903 3.770 4.057 . 0 0 "[ . 1 . 2]" 1
1017 1 42 TYR HB2 1 45 GLY H . . 4.540 4.338 4.070 4.535 . 0 0 "[ . 1 . 2]" 1
1018 1 42 TYR HB2 1 46 GLN H . . 4.530 4.382 4.226 4.536 0.006 17 0 "[ . 1 . 2]" 1
1019 1 42 TYR HB2 1 79 TYR H . . 3.750 3.525 3.283 3.679 . 0 0 "[ . 1 . 2]" 1
1020 1 42 TYR HB2 1 79 TYR QD . . 4.550 3.266 3.126 3.366 . 0 0 "[ . 1 . 2]" 1
1021 1 42 TYR HB2 1 79 TYR QE . . 4.520 2.729 2.662 2.837 . 0 0 "[ . 1 . 2]" 1
1022 1 42 TYR HB3 1 43 LYS H . . 3.340 2.776 2.572 2.962 . 0 0 "[ . 1 . 2]" 1
1023 1 42 TYR HB3 1 45 GLY H . . 3.840 3.412 3.155 3.620 . 0 0 "[ . 1 . 2]" 1
1024 1 42 TYR HB3 1 46 GLN H . . 3.650 2.739 2.570 2.953 . 0 0 "[ . 1 . 2]" 1
1025 1 42 TYR HB3 1 79 TYR H . . 4.950 4.798 4.642 4.946 . 0 0 "[ . 1 . 2]" 1
1026 1 42 TYR HB3 1 79 TYR QD . . 5.310 4.102 3.901 4.251 . 0 0 "[ . 1 . 2]" 1
1027 1 42 TYR HB3 1 79 TYR QE . . 4.600 2.622 2.407 2.878 . 0 0 "[ . 1 . 2]" 1
1028 1 42 TYR QD 1 43 LYS H . . 4.070 3.845 3.722 4.014 . 0 0 "[ . 1 . 2]" 1
1029 1 42 TYR QD 1 45 GLY H . . 5.160 5.005 4.818 5.159 . 0 0 "[ . 1 . 2]" 1
1030 1 42 TYR QD 1 46 GLN H . . 3.850 3.498 3.220 3.852 0.002 17 0 "[ . 1 . 2]" 1
1031 1 42 TYR QD 1 47 GLU H . . 3.990 2.977 2.444 3.316 . 0 0 "[ . 1 . 2]" 1
1032 1 42 TYR QD 1 47 GLU HA . . 4.090 2.334 1.998 2.768 . 0 0 "[ . 1 . 2]" 1
1033 1 42 TYR QD 1 48 ILE H . . 4.650 4.140 3.686 4.483 . 0 0 "[ . 1 . 2]" 1
1034 1 42 TYR QD 1 79 TYR H . . 4.860 4.734 4.427 4.859 . 0 0 "[ . 1 . 2]" 1
1035 1 42 TYR QD 1 79 TYR QD . . 4.310 3.801 3.610 4.097 . 0 0 "[ . 1 . 2]" 1
1036 1 42 TYR QD 1 79 TYR QE . . 4.150 3.232 2.960 3.571 . 0 0 "[ . 1 . 2]" 1
1037 1 42 TYR QD 1 80 VAL HA . . 4.370 3.254 3.007 3.399 . 0 0 "[ . 1 . 2]" 1
1038 1 42 TYR QD 1 81 THR H . . 4.200 3.842 3.630 4.055 . 0 0 "[ . 1 . 2]" 1
1039 1 42 TYR QD 1 81 THR MG . . 3.980 3.149 2.879 3.383 . 0 0 "[ . 1 . 2]" 1
1040 1 42 TYR QE 1 47 GLU H . . 4.140 3.663 3.259 4.041 . 0 0 "[ . 1 . 2]" 1
1041 1 42 TYR QE 1 47 GLU HA . . 4.590 3.118 2.806 3.507 . 0 0 "[ . 1 . 2]" 1
1042 1 42 TYR QE 1 47 GLU HB2 . . 4.860 2.422 2.084 3.004 . 0 0 "[ . 1 . 2]" 1
1043 1 42 TYR QE 1 47 GLU QB . . 4.230 2.405 2.075 2.966 . 0 0 "[ . 1 . 2]" 1
1044 1 42 TYR QE 1 47 GLU HB3 . . 4.860 4.098 3.772 4.579 . 0 0 "[ . 1 . 2]" 1
1045 1 42 TYR QE 1 80 VAL HA . . 4.950 4.466 4.072 4.613 . 0 0 "[ . 1 . 2]" 1
1046 1 42 TYR QE 1 81 THR H . . 3.850 3.708 3.400 3.840 . 0 0 "[ . 1 . 2]" 1
1047 1 42 TYR QE 1 81 THR MG . . 3.560 2.950 2.500 3.286 . 0 0 "[ . 1 . 2]" 1
1048 1 43 LYS H 1 43 LYS HB2 . . 3.670 3.248 3.003 3.345 . 0 0 "[ . 1 . 2]" 1
1049 1 43 LYS H 1 43 LYS QB . . 3.200 2.539 2.493 2.585 . 0 0 "[ . 1 . 2]" 1
1050 1 43 LYS H 1 43 LYS HB3 . . 3.670 2.654 2.583 2.819 . 0 0 "[ . 1 . 2]" 1
1051 1 43 LYS H 1 43 LYS QG . . 4.440 4.038 3.948 4.138 . 0 0 "[ . 1 . 2]" 1
1052 1 43 LYS H 1 44 ASN H . . 5.060 3.996 3.847 4.337 . 0 0 "[ . 1 . 2]" 1
1053 1 43 LYS H 1 45 GLY H . . 4.820 3.908 3.509 4.107 . 0 0 "[ . 1 . 2]" 1
1054 1 43 LYS H 1 46 GLN H . . 3.380 2.474 2.205 2.614 . 0 0 "[ . 1 . 2]" 1
1055 1 43 LYS H 1 46 GLN QB . . 3.500 3.251 2.951 3.501 0.001 19 0 "[ . 1 . 2]" 1
1056 1 43 LYS H 1 47 GLU HA . . 4.240 4.099 3.789 4.242 0.002 17 0 "[ . 1 . 2]" 1
1057 1 43 LYS H 1 48 ILE H . . 4.630 4.394 4.000 4.615 . 0 0 "[ . 1 . 2]" 1
1058 1 43 LYS H 1 48 ILE MD . . 3.870 3.378 2.965 3.677 . 0 0 "[ . 1 . 2]" 1
1059 1 43 LYS H 1 48 ILE HG13 . . 3.810 2.867 2.616 3.029 . 0 0 "[ . 1 . 2]" 1
1060 1 43 LYS H 1 48 ILE MG . . 5.500 5.355 5.211 5.490 . 0 0 "[ . 1 . 2]" 1
1061 1 43 LYS H 1 79 TYR QD . . 5.420 5.351 5.248 5.416 . 0 0 "[ . 1 . 2]" 1
1062 1 43 LYS HA 1 43 LYS HG2 . . 3.800 3.093 2.892 3.879 0.079 19 0 "[ . 1 . 2]" 1
1063 1 43 LYS HA 1 43 LYS HG3 . . 3.800 2.788 2.441 3.064 . 0 0 "[ . 1 . 2]" 1
1064 1 43 LYS HA 1 44 ASN H . . 3.020 2.175 2.146 2.210 . 0 0 "[ . 1 . 2]" 1
1065 1 43 LYS HA 1 44 ASN HA . . 4.550 4.377 4.363 4.395 . 0 0 "[ . 1 . 2]" 1
1066 1 43 LYS HA 1 78 TYR HA . . 3.760 2.838 2.596 3.146 . 0 0 "[ . 1 . 2]" 1
1067 1 43 LYS HA 1 78 TYR QD . . 4.380 3.451 2.991 3.787 . 0 0 "[ . 1 . 2]" 1
1068 1 43 LYS HA 1 79 TYR H . . 4.170 4.119 3.968 4.175 0.005 19 0 "[ . 1 . 2]" 1
1069 1 43 LYS HA 1 79 TYR QE . . 5.010 4.563 4.222 4.888 . 0 0 "[ . 1 . 2]" 1
1070 1 43 LYS QB 1 48 ILE MD . . 3.140 2.058 1.946 2.328 . 0 0 "[ . 1 . 2]" 1
1071 1 43 LYS QB 1 48 ILE HG13 . . 4.710 3.066 2.874 3.326 . 0 0 "[ . 1 . 2]" 1
1072 1 43 LYS QB 1 78 TYR QD . . 4.460 2.849 2.450 3.351 . 0 0 "[ . 1 . 2]" 1
1073 1 43 LYS QB 1 78 TYR QE . . 4.430 2.802 2.362 3.305 . 0 0 "[ . 1 . 2]" 1
1074 1 43 LYS HB2 1 44 ASN H . . 4.690 4.399 4.042 4.539 . 0 0 "[ . 1 . 2]" 1
1075 1 43 LYS HB2 1 48 ILE MD . . 3.920 2.088 1.967 2.362 . 0 0 "[ . 1 . 2]" 1
1076 1 43 LYS HB3 1 44 ASN H . . 4.690 4.445 4.188 4.517 . 0 0 "[ . 1 . 2]" 1
1077 1 43 LYS HB3 1 48 ILE MD . . 3.920 3.148 2.755 3.526 . 0 0 "[ . 1 . 2]" 1
1078 1 43 LYS QE 1 43 LYS QG . . 3.080 2.190 2.090 2.374 . 0 0 "[ . 1 . 2]" 1
1079 1 43 LYS QE 1 74 ASP HA . . 3.790 3.433 2.716 3.795 0.005 19 0 "[ . 1 . 2]" 1
1080 1 43 LYS QE 1 76 SER H . . 4.910 4.103 3.438 4.652 . 0 0 "[ . 1 . 2]" 1
1081 1 43 LYS QE 1 76 SER QB . . 3.420 2.208 1.853 2.844 . 0 0 "[ . 1 . 2]" 1
1082 1 43 LYS HE2 1 43 LYS HG2 . . 4.080 2.701 2.347 3.676 . 0 0 "[ . 1 . 2]" 1
1083 1 43 LYS HE2 1 43 LYS HG3 . . 4.080 2.934 2.392 3.933 . 0 0 "[ . 1 . 2]" 1
1084 1 43 LYS HE2 1 74 ASP HA . . 4.450 4.108 3.154 4.454 0.004 17 0 "[ . 1 . 2]" 1
1085 1 43 LYS HE2 1 76 SER HB2 . . 4.620 2.765 2.002 4.427 . 0 0 "[ . 1 . 2]" 1
1086 1 43 LYS HE2 1 76 SER HB3 . . 4.620 3.270 2.657 4.608 . 0 0 "[ . 1 . 2]" 1
1087 1 43 LYS HE3 1 43 LYS HG2 . . 4.080 3.249 2.261 3.761 . 0 0 "[ . 1 . 2]" 1
1088 1 43 LYS HE3 1 43 LYS HG3 . . 4.080 3.031 2.259 3.795 . 0 0 "[ . 1 . 2]" 1
1089 1 43 LYS HE3 1 74 ASP HA . . 4.450 3.727 2.768 4.296 . 0 0 "[ . 1 . 2]" 1
1090 1 43 LYS HE3 1 76 SER HB2 . . 4.620 3.204 2.091 4.478 . 0 0 "[ . 1 . 2]" 1
1091 1 43 LYS HE3 1 76 SER HB3 . . 4.620 3.819 2.066 4.637 0.017 19 0 "[ . 1 . 2]" 1
1092 1 43 LYS QG 1 44 ASN QB . . 4.860 2.692 2.355 3.374 . 0 0 "[ . 1 . 2]" 1
1093 1 43 LYS QG 1 44 ASN QD . . 4.890 4.193 2.897 4.632 . 0 0 "[ . 1 . 2]" 1
1094 1 43 LYS QG 1 76 SER QB . . 3.860 2.362 1.897 3.587 . 0 0 "[ . 1 . 2]" 1
1095 1 43 LYS QG 1 78 TYR QE . . 4.380 2.991 2.300 3.941 . 0 0 "[ . 1 . 2]" 1
1096 1 43 LYS HG2 1 44 ASN H . . 4.270 3.628 3.407 4.277 0.007 19 0 "[ . 1 . 2]" 1
1097 1 43 LYS HG3 1 44 ASN H . . 4.270 3.895 2.747 4.235 . 0 0 "[ . 1 . 2]" 1
1098 1 44 ASN H 1 44 ASN HB2 . . 4.100 3.279 2.841 3.765 . 0 0 "[ . 1 . 2]" 1
1099 1 44 ASN H 1 44 ASN QB . . 3.520 3.114 2.742 3.460 . 0 0 "[ . 1 . 2]" 1
1100 1 44 ASN H 1 44 ASN HB3 . . 4.100 3.898 3.614 4.102 0.002 9 0 "[ . 1 . 2]" 1
1101 1 44 ASN H 1 45 GLY H . . 3.820 2.642 2.524 2.895 . 0 0 "[ . 1 . 2]" 1
1102 1 44 ASN H 1 46 GLN H . . 4.380 4.054 3.960 4.362 . 0 0 "[ . 1 . 2]" 1
1103 1 44 ASN H 1 78 TYR HA . . 3.930 3.673 3.325 3.933 0.003 19 0 "[ . 1 . 2]" 1
1104 1 44 ASN H 1 79 TYR QE . . 4.790 3.761 3.325 4.353 . 0 0 "[ . 1 . 2]" 1
1105 1 44 ASN HA 1 44 ASN QD . . 4.630 3.438 2.225 4.072 . 0 0 "[ . 1 . 2]" 1
1106 1 44 ASN HA 1 45 GLY H . . 3.330 2.822 2.732 2.980 . 0 0 "[ . 1 . 2]" 1
1107 1 44 ASN HA 1 46 GLN H . . 4.940 4.685 4.611 4.873 . 0 0 "[ . 1 . 2]" 1
1108 1 44 ASN HA 1 79 TYR QE . . 4.670 4.475 4.139 4.660 . 0 0 "[ . 1 . 2]" 1
1109 1 44 ASN QB 1 44 ASN QD . . 3.040 2.228 2.066 2.404 . 0 0 "[ . 1 . 2]" 1
1110 1 44 ASN QB 1 45 GLY H . . 3.960 3.866 3.755 3.945 . 0 0 "[ . 1 . 2]" 1
1111 1 44 ASN QB 1 46 GLN H . . 4.250 4.203 4.071 4.257 0.007 19 0 "[ . 1 . 2]" 1
1112 1 44 ASN HB2 1 45 GLY H . . 4.700 4.419 4.149 4.628 . 0 0 "[ . 1 . 2]" 1
1113 1 44 ASN HB3 1 45 GLY H . . 4.700 4.299 4.030 4.542 . 0 0 "[ . 1 . 2]" 1
1114 1 45 GLY H 1 46 GLN H . . 3.380 2.514 2.320 2.622 . 0 0 "[ . 1 . 2]" 1
1115 1 45 GLY H 1 79 TYR QD . . 4.680 3.755 3.497 3.931 . 0 0 "[ . 1 . 2]" 1
1116 1 45 GLY H 1 79 TYR QE . . 3.700 2.118 1.930 2.382 . 0 0 "[ . 1 . 2]" 1
1117 1 45 GLY QA 1 79 TYR QE . . 4.040 2.577 2.210 2.782 . 0 0 "[ . 1 . 2]" 1
1118 1 46 GLN H 1 46 GLN QB . . 2.920 2.655 2.494 2.792 . 0 0 "[ . 1 . 2]" 1
1119 1 46 GLN H 1 46 GLN HG2 . . 4.700 4.145 3.110 4.729 0.029 3 0 "[ . 1 . 2]" 1
1120 1 46 GLN H 1 46 GLN QG . . 4.040 3.560 3.036 4.121 0.081 17 0 "[ . 1 . 2]" 1
1121 1 46 GLN H 1 46 GLN HG3 . . 4.700 4.094 3.236 4.659 . 0 0 "[ . 1 . 2]" 1
1122 1 46 GLN H 1 47 GLU H . . 4.700 4.224 4.018 4.367 . 0 0 "[ . 1 . 2]" 1
1123 1 46 GLN H 1 79 TYR QD . . 5.500 5.415 5.236 5.503 0.003 17 0 "[ . 1 . 2]" 1
1124 1 46 GLN QB 1 47 GLU H . . 3.730 3.383 2.936 3.726 . 0 0 "[ . 1 . 2]" 1
1125 1 46 GLN HG2 1 47 GLU H . . 5.500 4.220 2.866 5.016 . 0 0 "[ . 1 . 2]" 1
1126 1 46 GLN HG3 1 47 GLU H . . 5.500 4.339 2.424 5.426 . 0 0 "[ . 1 . 2]" 1
1127 1 47 GLU H 1 47 GLU HB2 . . 3.860 2.419 2.260 2.655 . 0 0 "[ . 1 . 2]" 1
1128 1 47 GLU H 1 47 GLU QB . . 2.990 2.225 2.177 2.254 . 0 0 "[ . 1 . 2]" 1
1129 1 47 GLU H 1 47 GLU HB3 . . 3.860 2.651 2.426 2.845 . 0 0 "[ . 1 . 2]" 1
1130 1 47 GLU H 1 47 GLU HG2 . . 4.620 4.514 4.375 4.620 0.000 18 0 "[ . 1 . 2]" 1
1131 1 47 GLU H 1 47 GLU QG . . 4.040 3.949 3.893 4.033 . 0 0 "[ . 1 . 2]" 1
1132 1 47 GLU H 1 47 GLU HG3 . . 4.620 4.370 4.223 4.621 0.001 4 0 "[ . 1 . 2]" 1
1133 1 47 GLU H 1 48 ILE H . . 4.700 4.567 4.428 4.644 . 0 0 "[ . 1 . 2]" 1
1134 1 47 GLU HA 1 47 GLU HG2 . . 3.950 3.056 2.567 3.355 . 0 0 "[ . 1 . 2]" 1
1135 1 47 GLU HA 1 47 GLU QG . . 3.380 2.364 2.171 2.548 . 0 0 "[ . 1 . 2]" 1
1136 1 47 GLU HA 1 47 GLU HG3 . . 3.950 2.518 2.215 3.629 . 0 0 "[ . 1 . 2]" 1
1137 1 47 GLU HA 1 48 ILE H . . 2.880 2.178 2.140 2.296 . 0 0 "[ . 1 . 2]" 1
1138 1 47 GLU HA 1 48 ILE HB . . 4.670 4.639 4.541 4.671 0.001 8 0 "[ . 1 . 2]" 1
1139 1 47 GLU HA 1 48 ILE HG13 . . 4.570 3.650 3.504 3.856 . 0 0 "[ . 1 . 2]" 1
1140 1 47 GLU QB 1 48 ILE H . . 4.140 3.668 3.447 3.872 . 0 0 "[ . 1 . 2]" 1
1141 1 47 GLU HG2 1 48 ILE H . . 3.660 2.963 1.925 3.531 . 0 0 "[ . 1 . 2]" 1
1142 1 47 GLU HG3 1 48 ILE H . . 3.660 3.125 2.663 3.660 . 0 0 "[ . 1 . 2]" 1
1143 1 48 ILE H 1 48 ILE HB . . 3.190 2.526 2.417 2.581 . 0 0 "[ . 1 . 2]" 1
1144 1 48 ILE H 1 48 ILE MD . . 4.360 3.569 3.318 3.821 . 0 0 "[ . 1 . 2]" 1
1145 1 48 ILE H 1 48 ILE HG12 . . 3.890 3.779 3.474 3.881 . 0 0 "[ . 1 . 2]" 1
1146 1 48 ILE H 1 48 ILE HG13 . . 3.320 2.440 2.111 2.624 . 0 0 "[ . 1 . 2]" 1
1147 1 48 ILE H 1 48 ILE MG . . 3.980 3.793 3.746 3.826 . 0 0 "[ . 1 . 2]" 1
1148 1 48 ILE H 1 49 ARG H . . 4.730 4.530 4.455 4.618 . 0 0 "[ . 1 . 2]" 1
1149 1 48 ILE H 1 56 PHE HZ . . 5.290 4.963 4.594 5.271 . 0 0 "[ . 1 . 2]" 1
1150 1 48 ILE HA 1 48 ILE MD . . 4.330 3.873 3.833 3.896 . 0 0 "[ . 1 . 2]" 1
1151 1 48 ILE HA 1 48 ILE HG12 . . 3.720 2.655 2.572 2.792 . 0 0 "[ . 1 . 2]" 1
1152 1 48 ILE HA 1 48 ILE HG13 . . 3.940 2.887 2.748 2.992 . 0 0 "[ . 1 . 2]" 1
1153 1 48 ILE HA 1 48 ILE MG . . 3.490 2.378 2.302 2.454 . 0 0 "[ . 1 . 2]" 1
1154 1 48 ILE HA 1 49 ARG H . . 2.630 2.188 2.157 2.268 . 0 0 "[ . 1 . 2]" 1
1155 1 48 ILE HA 1 49 ARG QB . . 4.490 4.280 4.191 4.423 . 0 0 "[ . 1 . 2]" 1
1156 1 48 ILE HB 1 48 ILE MD . . 3.480 2.337 2.208 2.409 . 0 0 "[ . 1 . 2]" 1
1157 1 48 ILE HB 1 49 ARG H . . 4.130 4.046 3.805 4.130 . 10 0 "[ . 1 . 2]" 1
1158 1 48 ILE HB 1 56 PHE HZ . . 4.100 2.900 2.501 3.306 . 0 0 "[ . 1 . 2]" 1
1159 1 48 ILE MD 1 48 ILE MG . . 2.930 2.170 1.952 2.345 . 0 0 "[ . 1 . 2]" 1
1160 1 48 ILE MD 1 65 LEU MD1 . . 3.970 3.756 3.437 3.973 0.003 14 0 "[ . 1 . 2]" 1
1161 1 48 ILE MD 1 65 LEU MD2 . . 4.430 4.017 3.664 4.270 . 0 0 "[ . 1 . 2]" 1
1162 1 48 ILE MD 1 78 TYR QD . . 3.320 2.429 2.191 2.567 . 0 0 "[ . 1 . 2]" 1
1163 1 48 ILE MD 1 78 TYR QE . . 3.540 3.039 2.614 3.439 . 0 0 "[ . 1 . 2]" 1
1164 1 48 ILE HG12 1 49 ARG H . . 4.430 4.342 4.110 4.430 0.000 5 0 "[ . 1 . 2]" 1
1165 1 48 ILE MG 1 49 ARG H . . 3.210 2.174 1.963 2.502 . 0 0 "[ . 1 . 2]" 1
1166 1 48 ILE MG 1 54 TYR H . . 5.350 5.024 4.763 5.309 . 0 0 "[ . 1 . 2]" 1
1167 1 48 ILE MG 1 54 TYR HB2 . . 4.230 3.378 3.115 3.705 . 0 0 "[ . 1 . 2]" 1
1168 1 48 ILE MG 1 54 TYR HB3 . . 3.820 3.066 2.772 3.423 . 0 0 "[ . 1 . 2]" 1
1169 1 48 ILE MG 1 54 TYR QD . . 3.670 2.744 2.524 2.971 . 0 0 "[ . 1 . 2]" 1
1170 1 48 ILE MG 1 54 TYR QE . . 3.960 2.782 2.580 3.008 . 0 0 "[ . 1 . 2]" 1
1171 1 48 ILE MG 1 56 PHE QE . . 4.030 2.889 2.658 3.209 . 0 0 "[ . 1 . 2]" 1
1172 1 48 ILE MG 1 56 PHE HZ . . 3.330 2.467 2.088 3.080 . 0 0 "[ . 1 . 2]" 1
1173 1 48 ILE MG 1 65 LEU MD2 . . 3.770 3.269 2.983 3.532 . 0 0 "[ . 1 . 2]" 1
1174 1 49 ARG H 1 49 ARG HB2 . . 3.780 3.200 2.313 3.778 . 0 0 "[ . 1 . 2]" 1
1175 1 49 ARG H 1 49 ARG QB . . 2.970 2.635 2.286 2.971 0.001 8 0 "[ . 1 . 2]" 1
1176 1 49 ARG H 1 49 ARG HB3 . . 3.780 3.193 2.726 3.693 . 0 0 "[ . 1 . 2]" 1
1177 1 49 ARG H 1 49 ARG QD . . 4.480 3.574 1.887 4.480 . 0 0 "[ . 1 . 2]" 1
1178 1 49 ARG H 1 49 ARG HG2 . . 4.370 2.986 1.963 4.362 . 0 0 "[ . 1 . 2]" 1
1179 1 49 ARG H 1 49 ARG HG3 . . 4.370 3.290 2.101 3.925 . 0 0 "[ . 1 . 2]" 1
1180 1 49 ARG H 1 50 PRO HD2 . . 5.240 4.836 4.811 4.843 . 0 0 "[ . 1 . 2]" 1
1181 1 49 ARG H 1 50 PRO QD . . 4.570 4.353 4.328 4.368 . 0 0 "[ . 1 . 2]" 1
1182 1 49 ARG H 1 50 PRO HD3 . . 5.240 4.941 4.873 5.009 . 0 0 "[ . 1 . 2]" 1
1183 1 49 ARG H 1 54 TYR QD . . 4.490 4.017 3.614 4.390 . 0 0 "[ . 1 . 2]" 1
1184 1 49 ARG H 1 54 TYR QE . . 4.720 4.077 3.748 4.529 . 0 0 "[ . 1 . 2]" 1
1185 1 49 ARG H 1 56 PHE QE . . 5.310 4.932 4.465 5.253 . 0 0 "[ . 1 . 2]" 1
1186 1 49 ARG QB 1 50 PRO QD . . 3.080 2.277 1.970 2.480 . 0 0 "[ . 1 . 2]" 1
1187 1 50 PRO HA 1 51 SER H . . 2.640 2.156 2.151 2.167 . 0 0 "[ . 1 . 2]" 1
1188 1 50 PRO HA 1 54 TYR H . . 4.690 4.441 4.256 4.680 . 0 0 "[ . 1 . 2]" 1
1189 1 50 PRO HA 1 54 TYR HB2 . . 4.400 2.588 2.269 2.894 . 0 0 "[ . 1 . 2]" 1
1190 1 50 PRO HA 1 54 TYR HB3 . . 4.630 3.512 3.206 3.788 . 0 0 "[ . 1 . 2]" 1
1191 1 50 PRO HA 1 56 PHE QD . . 4.690 2.572 2.230 2.918 . 0 0 "[ . 1 . 2]" 1
1192 1 50 PRO HA 1 56 PHE QE . . 4.260 2.167 2.004 2.589 . 0 0 "[ . 1 . 2]" 1
1193 1 50 PRO QB 1 51 SER H . . 3.600 3.468 3.371 3.555 . 0 0 "[ . 1 . 2]" 1
1194 1 50 PRO QB 1 56 PHE H . . 4.470 3.958 3.286 4.390 . 0 0 "[ . 1 . 2]" 1
1195 1 50 PRO QB 1 56 PHE QD . . 4.310 2.586 2.301 2.795 . 0 0 "[ . 1 . 2]" 1
1196 1 50 PRO HB2 1 51 SER H . . 4.220 3.725 3.606 3.831 . 0 0 "[ . 1 . 2]" 1
1197 1 50 PRO HB3 1 51 SER H . . 4.220 4.134 4.050 4.210 . 0 0 "[ . 1 . 2]" 1
1198 1 50 PRO QD 1 51 SER H . . 4.960 4.914 4.871 4.953 . 0 0 "[ . 1 . 2]" 1
1199 1 50 PRO HG2 1 56 PHE QD . . 5.500 5.356 5.092 5.500 0.000 11 0 "[ . 1 . 2]" 1
1200 1 51 SER H 1 51 SER HB2 . . 4.060 3.253 2.776 4.009 . 0 0 "[ . 1 . 2]" 1
1201 1 51 SER H 1 51 SER HB3 . . 4.060 3.401 3.052 3.989 . 0 0 "[ . 1 . 2]" 1
1202 1 51 SER H 1 53 LYS H . . 4.370 4.130 3.821 4.372 0.002 6 0 "[ . 1 . 2]" 1
1203 1 51 SER H 1 54 TYR H . . 3.330 2.686 2.551 2.824 . 0 0 "[ . 1 . 2]" 1
1204 1 51 SER H 1 54 TYR HA . . 4.840 4.473 4.253 4.695 . 0 0 "[ . 1 . 2]" 1
1205 1 51 SER H 1 54 TYR HB2 . . 3.460 2.225 1.918 2.377 . 0 0 "[ . 1 . 2]" 1
1206 1 51 SER H 1 54 TYR HB3 . . 3.970 3.769 3.538 3.956 . 0 0 "[ . 1 . 2]" 1
1207 1 51 SER H 1 54 TYR QD . . 4.210 3.397 2.865 3.665 . 0 0 "[ . 1 . 2]" 1
1208 1 51 SER H 1 56 PHE QD . . 4.770 3.805 3.426 4.125 . 0 0 "[ . 1 . 2]" 1
1209 1 51 SER H 1 56 PHE QE . . 4.210 3.612 3.303 4.051 . 0 0 "[ . 1 . 2]" 1
1210 1 51 SER QB 1 53 LYS H . . 3.800 2.656 2.305 3.385 . 0 0 "[ . 1 . 2]" 1
1211 1 51 SER QB 1 54 TYR H . . 4.010 3.157 2.895 3.981 . 0 0 "[ . 1 . 2]" 1
1212 1 51 SER QB 1 54 TYR QD . . 4.800 3.239 2.427 4.088 . 0 0 "[ . 1 . 2]" 1
1213 1 51 SER HB2 1 53 LYS H . . 4.470 3.658 2.807 4.401 . 0 0 "[ . 1 . 2]" 1
1214 1 51 SER HB2 1 54 TYR H . . 4.650 3.931 3.005 4.479 . 0 0 "[ . 1 . 2]" 1
1215 1 51 SER HB3 1 53 LYS H . . 4.470 2.978 2.319 4.436 . 0 0 "[ . 1 . 2]" 1
1216 1 51 SER HB3 1 54 TYR H . . 4.650 3.605 2.960 4.540 . 0 0 "[ . 1 . 2]" 1
1217 1 52 THR HA 1 52 THR MG . . 3.180 2.559 2.146 3.181 0.001 11 0 "[ . 1 . 2]" 1
1218 1 52 THR HA 1 55 ILE MD . . 4.000 3.165 2.803 3.526 . 0 0 "[ . 1 . 2]" 1
1219 1 52 THR MG 1 53 LYS H . . 4.430 3.398 2.299 4.105 . 0 0 "[ . 1 . 2]" 1
1220 1 53 LYS H 1 53 LYS HB2 . . 3.300 2.553 2.327 2.757 . 0 0 "[ . 1 . 2]" 1
1221 1 53 LYS H 1 53 LYS HB3 . . 3.300 2.584 2.351 2.835 . 0 0 "[ . 1 . 2]" 1
1222 1 53 LYS H 1 53 LYS HG2 . . 5.070 4.479 4.346 4.601 . 0 0 "[ . 1 . 2]" 1
1223 1 53 LYS H 1 53 LYS QG . . 4.250 3.977 3.925 4.018 . 0 0 "[ . 1 . 2]" 1
1224 1 53 LYS H 1 53 LYS HG3 . . 5.070 4.457 4.301 4.632 . 0 0 "[ . 1 . 2]" 1
1225 1 53 LYS H 1 54 TYR H . . 2.960 2.482 2.265 2.666 . 0 0 "[ . 1 . 2]" 1
1226 1 53 LYS H 1 54 TYR HB2 . . 5.050 4.840 4.600 5.016 . 0 0 "[ . 1 . 2]" 1
1227 1 53 LYS H 1 54 TYR QD . . 4.880 4.451 4.028 4.700 . 0 0 "[ . 1 . 2]" 1
1228 1 53 LYS H 1 55 ILE MD . . 5.460 4.497 3.842 4.987 . 0 0 "[ . 1 . 2]" 1
1229 1 53 LYS HA 1 53 LYS HD2 . . 4.790 4.363 3.931 4.661 . 0 0 "[ . 1 . 2]" 1
1230 1 53 LYS HA 1 53 LYS HD3 . . 4.790 4.490 4.147 4.661 . 0 0 "[ . 1 . 2]" 1
1231 1 53 LYS HA 1 53 LYS QG . . 3.590 2.390 2.220 2.521 . 0 0 "[ . 1 . 2]" 1
1232 1 53 LYS HA 1 68 ASN H . . 3.760 3.070 2.749 3.520 . 0 0 "[ . 1 . 2]" 1
1233 1 53 LYS HA 1 68 ASN QB . . 3.350 2.509 2.167 2.777 . 0 0 "[ . 1 . 2]" 1
1234 1 53 LYS HA 1 68 ASN HD21 . . 3.930 2.906 2.380 3.147 . 0 0 "[ . 1 . 2]" 1
1235 1 53 LYS HA 1 68 ASN HD22 . . 4.810 4.582 4.000 4.794 . 0 0 "[ . 1 . 2]" 1
1236 1 53 LYS QB 1 54 TYR H . . 3.220 2.494 2.374 2.715 . 0 0 "[ . 1 . 2]" 1
1237 1 53 LYS QB 1 54 TYR QE . . 4.760 3.644 3.407 3.867 . 0 0 "[ . 1 . 2]" 1
1238 1 53 LYS QB 1 68 ASN H . . 5.110 4.296 4.061 4.555 . 0 0 "[ . 1 . 2]" 1
1239 1 53 LYS QD 1 54 TYR H . . 5.340 4.599 4.027 5.095 . 0 0 "[ . 1 . 2]" 1
1240 1 53 LYS QD 1 68 ASN H . . 4.720 4.663 4.520 4.723 0.003 15 0 "[ . 1 . 2]" 1
1241 1 53 LYS QE 1 53 LYS QG . . 3.340 2.187 2.051 2.427 . 0 0 "[ . 1 . 2]" 1
1242 1 53 LYS QE 1 54 TYR QE . . 4.420 3.435 2.388 4.380 . 0 0 "[ . 1 . 2]" 1
1243 1 53 LYS HE2 1 67 ILE MG . . 3.960 2.837 1.806 3.763 . 0 0 "[ . 1 . 2]" 1
1244 1 53 LYS HE3 1 67 ILE MG . . 3.960 2.749 1.919 3.771 . 0 0 "[ . 1 . 2]" 1
1245 1 53 LYS QG 1 54 TYR H . . 4.140 3.751 3.459 4.047 . 0 0 "[ . 1 . 2]" 1
1246 1 53 LYS QG 1 67 ILE MG . . 3.570 2.410 2.119 2.812 . 0 0 "[ . 1 . 2]" 1
1247 1 53 LYS QG 1 68 ASN H . . 3.600 2.637 2.483 2.841 . 0 0 "[ . 1 . 2]" 1
1248 1 53 LYS HG2 1 54 TYR H . . 4.980 3.930 3.623 4.299 . 0 0 "[ . 1 . 2]" 1
1249 1 53 LYS HG2 1 67 ILE MG . . 4.230 2.499 2.148 2.887 . 0 0 "[ . 1 . 2]" 1
1250 1 53 LYS HG2 1 68 ASN H . . 4.170 3.067 2.604 3.855 . 0 0 "[ . 1 . 2]" 1
1251 1 53 LYS HG3 1 54 TYR H . . 4.980 4.757 4.329 4.981 0.001 2 0 "[ . 1 . 2]" 1
1252 1 53 LYS HG3 1 67 ILE MG . . 4.230 3.305 2.638 3.938 . 0 0 "[ . 1 . 2]" 1
1253 1 53 LYS HG3 1 68 ASN H . . 4.170 3.111 2.533 3.886 . 0 0 "[ . 1 . 2]" 1
1254 1 54 TYR H 1 54 TYR HB2 . . 3.200 2.520 2.459 2.590 . 0 0 "[ . 1 . 2]" 1
1255 1 54 TYR H 1 54 TYR HB3 . . 3.780 3.683 3.662 3.709 . 0 0 "[ . 1 . 2]" 1
1256 1 54 TYR H 1 54 TYR QD . . 3.510 2.890 2.668 3.030 . 0 0 "[ . 1 . 2]" 1
1257 1 54 TYR H 1 54 TYR QE . . 4.930 4.689 4.558 4.913 . 0 0 "[ . 1 . 2]" 1
1258 1 54 TYR H 1 55 ILE H . . 4.380 4.342 4.300 4.385 0.005 2 0 "[ . 1 . 2]" 1
1259 1 54 TYR H 1 55 ILE MD . . 5.180 4.122 3.208 4.426 . 0 0 "[ . 1 . 2]" 1
1260 1 54 TYR H 1 55 ILE QG . . 5.340 4.700 4.477 5.348 0.008 18 0 "[ . 1 . 2]" 1
1261 1 54 TYR H 1 56 PHE QE . . 5.190 4.849 4.582 5.161 . 0 0 "[ . 1 . 2]" 1
1262 1 54 TYR H 1 65 LEU MD2 . . 5.080 5.019 4.849 5.085 0.005 13 0 "[ . 1 . 2]" 1
1263 1 54 TYR HA 1 54 TYR QD . . 3.750 2.654 2.528 2.828 . 0 0 "[ . 1 . 2]" 1
1264 1 54 TYR HA 1 55 ILE H . . 2.710 2.140 2.138 2.142 . 0 0 "[ . 1 . 2]" 1
1265 1 54 TYR HA 1 55 ILE MD . . 4.820 4.139 2.893 4.498 . 0 0 "[ . 1 . 2]" 1
1266 1 54 TYR HA 1 65 LEU MD2 . . 3.970 2.974 2.769 3.190 . 0 0 "[ . 1 . 2]" 1
1267 1 54 TYR HA 1 66 PHE H . . 4.530 3.953 3.810 4.126 . 0 0 "[ . 1 . 2]" 1
1268 1 54 TYR HA 1 67 ILE HA . . 4.300 3.047 2.835 3.258 . 0 0 "[ . 1 . 2]" 1
1269 1 54 TYR HA 1 68 ASN H . . 4.390 4.208 3.968 4.396 0.006 14 0 "[ . 1 . 2]" 1
1270 1 54 TYR HB2 1 55 ILE H . . 4.450 4.317 4.230 4.375 . 0 0 "[ . 1 . 2]" 1
1271 1 54 TYR HB2 1 56 PHE QE . . 4.410 2.410 2.103 2.726 . 0 0 "[ . 1 . 2]" 1
1272 1 54 TYR HB2 1 65 LEU MD1 . . 5.500 4.904 4.561 5.504 0.004 19 0 "[ . 1 . 2]" 1
1273 1 54 TYR HB2 1 65 LEU MD2 . . 4.090 3.629 3.519 3.814 . 0 0 "[ . 1 . 2]" 1
1274 1 54 TYR HB3 1 55 ILE H . . 3.640 3.530 3.405 3.592 . 0 0 "[ . 1 . 2]" 1
1275 1 54 TYR HB3 1 56 PHE QE . . 4.340 2.160 2.000 2.562 . 0 0 "[ . 1 . 2]" 1
1276 1 54 TYR HB3 1 65 LEU MD1 . . 4.690 3.531 3.137 4.140 . 0 0 "[ . 1 . 2]" 1
1277 1 54 TYR HB3 1 65 LEU MD2 . . 3.610 2.154 1.994 2.369 . 0 0 "[ . 1 . 2]" 1
1278 1 54 TYR QD 1 55 ILE H . . 4.360 4.193 3.957 4.342 . 0 0 "[ . 1 . 2]" 1
1279 1 54 TYR QD 1 65 LEU MD1 . . 4.110 2.320 1.957 2.749 . 0 0 "[ . 1 . 2]" 1
1280 1 54 TYR QD 1 65 LEU MD2 . . 3.600 2.740 2.051 3.070 . 0 0 "[ . 1 . 2]" 1
1281 1 54 TYR QD 1 67 ILE H . . 5.290 5.248 5.078 5.292 0.002 11 0 "[ . 1 . 2]" 1
1282 1 54 TYR QD 1 67 ILE HA . . 4.420 3.594 3.362 3.814 . 0 0 "[ . 1 . 2]" 1
1283 1 54 TYR QD 1 67 ILE MD . . 4.250 3.274 3.024 3.612 . 0 0 "[ . 1 . 2]" 1
1284 1 54 TYR QD 1 67 ILE HG12 . . 3.480 2.101 1.998 3.225 . 0 0 "[ . 1 . 2]" 1
1285 1 54 TYR QD 1 67 ILE HG13 . . 4.160 3.198 2.181 3.510 . 0 0 "[ . 1 . 2]" 1
1286 1 54 TYR QD 1 67 ILE MG . . 3.930 3.531 3.269 3.800 . 0 0 "[ . 1 . 2]" 1
1287 1 54 TYR QE 1 65 LEU MD1 . . 4.310 3.494 3.104 3.930 . 0 0 "[ . 1 . 2]" 1
1288 1 54 TYR QE 1 67 ILE MD . . 3.470 2.387 1.904 3.470 . 0 0 "[ . 1 . 2]" 1
1289 1 54 TYR QE 1 67 ILE HG12 . . 3.770 2.299 2.003 2.570 . 0 0 "[ . 1 . 2]" 1
1290 1 54 TYR QE 1 67 ILE HG13 . . 4.330 3.798 2.625 4.241 . 0 0 "[ . 1 . 2]" 1
1291 1 54 TYR QE 1 67 ILE MG . . 3.550 2.703 2.265 3.054 . 0 0 "[ . 1 . 2]" 1
1292 1 55 ILE H 1 55 ILE HB . . 3.200 2.756 2.482 2.879 . 0 0 "[ . 1 . 2]" 1
1293 1 55 ILE H 1 55 ILE MD . . 4.010 3.286 2.080 3.567 . 0 0 "[ . 1 . 2]" 1
1294 1 55 ILE H 1 55 ILE HG12 . . 4.340 2.210 1.963 3.977 . 0 0 "[ . 1 . 2]" 1
1295 1 55 ILE H 1 55 ILE QG . . 3.730 2.177 1.953 3.594 . 0 0 "[ . 1 . 2]" 1
1296 1 55 ILE H 1 55 ILE HG13 . . 4.340 3.628 3.501 4.097 . 0 0 "[ . 1 . 2]" 1
1297 1 55 ILE H 1 55 ILE MG . . 3.880 3.841 3.763 3.875 . 0 0 "[ . 1 . 2]" 1
1298 1 55 ILE H 1 56 PHE H . . 4.390 4.225 4.129 4.321 . 0 0 "[ . 1 . 2]" 1
1299 1 55 ILE H 1 56 PHE QD . . 5.030 4.480 4.149 4.949 . 0 0 "[ . 1 . 2]" 1
1300 1 55 ILE H 1 65 LEU MD1 . . 4.710 3.327 2.817 3.970 . 0 0 "[ . 1 . 2]" 1
1301 1 55 ILE H 1 65 LEU MD2 . . 3.420 2.792 2.422 3.136 . 0 0 "[ . 1 . 2]" 1
1302 1 55 ILE H 1 66 PHE H . . 3.610 2.455 2.344 2.709 . 0 0 "[ . 1 . 2]" 1
1303 1 55 ILE H 1 66 PHE HA . . 4.710 4.515 4.390 4.628 . 0 0 "[ . 1 . 2]" 1
1304 1 55 ILE H 1 66 PHE HB2 . . 3.690 3.022 2.856 3.398 . 0 0 "[ . 1 . 2]" 1
1305 1 55 ILE H 1 66 PHE QD . . 4.560 4.263 3.979 4.483 . 0 0 "[ . 1 . 2]" 1
1306 1 55 ILE HA 1 55 ILE MD . . 3.560 2.224 2.078 2.453 . 0 0 "[ . 1 . 2]" 1
1307 1 55 ILE HA 1 55 ILE HG12 . . 4.110 3.197 3.041 3.701 . 0 0 "[ . 1 . 2]" 1
1308 1 55 ILE HA 1 55 ILE HG13 . . 4.110 3.816 2.595 3.928 . 0 0 "[ . 1 . 2]" 1
1309 1 55 ILE HA 1 55 ILE MG . . 3.340 2.204 2.072 2.497 . 0 0 "[ . 1 . 2]" 1
1310 1 55 ILE HA 1 56 PHE H . . 2.650 2.163 2.140 2.184 . 0 0 "[ . 1 . 2]" 1
1311 1 55 ILE HA 1 56 PHE QB . . 4.590 4.341 4.292 4.411 . 0 0 "[ . 1 . 2]" 1
1312 1 55 ILE HA 1 56 PHE QD . . 4.540 3.564 3.298 3.989 . 0 0 "[ . 1 . 2]" 1
1313 1 55 ILE HB 1 66 PHE H . . 3.810 2.854 2.644 3.241 . 0 0 "[ . 1 . 2]" 1
1314 1 55 ILE HB 1 66 PHE HB2 . . 3.440 2.077 2.001 2.152 . 0 0 "[ . 1 . 2]" 1
1315 1 55 ILE HB 1 66 PHE HB3 . . 3.850 3.803 3.649 3.852 0.002 20 0 "[ . 1 . 2]" 1
1316 1 55 ILE HB 1 66 PHE QD . . 3.930 2.187 1.996 2.931 . 0 0 "[ . 1 . 2]" 1
1317 1 55 ILE MD 1 56 PHE H . . 4.240 4.106 3.915 4.251 0.011 18 0 "[ . 1 . 2]" 1
1318 1 55 ILE MD 1 66 PHE H . . 5.320 4.903 4.226 5.220 . 0 0 "[ . 1 . 2]" 1
1319 1 55 ILE MD 1 66 PHE HB2 . . 4.600 3.901 3.330 4.160 . 0 0 "[ . 1 . 2]" 1
1320 1 55 ILE MD 1 66 PHE HB3 . . 5.240 4.761 4.201 5.074 . 0 0 "[ . 1 . 2]" 1
1321 1 55 ILE MD 1 68 ASN QB . . 4.890 4.533 3.647 4.873 . 0 0 "[ . 1 . 2]" 1
1322 1 55 ILE MD 1 68 ASN HD21 . . 3.780 3.007 2.021 3.679 . 0 0 "[ . 1 . 2]" 1
1323 1 55 ILE MD 1 68 ASN HD22 . . 3.770 3.063 2.115 3.692 . 0 0 "[ . 1 . 2]" 1
1324 1 55 ILE QG 1 66 PHE HB2 . . 4.630 2.331 2.091 3.633 . 0 0 "[ . 1 . 2]" 1
1325 1 55 ILE QG 1 68 ASN HD21 . . 3.970 3.216 2.969 3.521 . 0 0 "[ . 1 . 2]" 1
1326 1 55 ILE QG 1 68 ASN HD22 . . 3.570 2.917 2.401 3.214 . 0 0 "[ . 1 . 2]" 1
1327 1 55 ILE HG12 1 55 ILE MG . . 3.610 3.153 2.504 3.195 . 0 0 "[ . 1 . 2]" 1
1328 1 55 ILE HG12 1 68 ASN HD21 . . 4.540 3.415 3.122 3.667 . 0 0 "[ . 1 . 2]" 1
1329 1 55 ILE HG12 1 68 ASN HD22 . . 4.440 3.434 2.605 3.822 . 0 0 "[ . 1 . 2]" 1
1330 1 55 ILE HG13 1 55 ILE MG . . 3.610 2.437 2.256 2.538 . 0 0 "[ . 1 . 2]" 1
1331 1 55 ILE HG13 1 68 ASN HD21 . . 4.540 3.941 3.582 4.544 0.004 18 0 "[ . 1 . 2]" 1
1332 1 55 ILE HG13 1 68 ASN HD22 . . 4.440 3.214 2.714 4.033 . 0 0 "[ . 1 . 2]" 1
1333 1 55 ILE MG 1 56 PHE H . . 3.260 3.078 2.771 3.245 . 0 0 "[ . 1 . 2]" 1
1334 1 55 ILE MG 1 56 PHE QB . . 4.670 4.595 4.411 4.672 0.002 17 0 "[ . 1 . 2]" 1
1335 1 55 ILE MG 1 57 GLU H . . 4.680 4.489 4.262 4.664 . 0 0 "[ . 1 . 2]" 1
1336 1 55 ILE MG 1 57 GLU HG2 . . 4.510 2.975 2.226 4.230 . 0 0 "[ . 1 . 2]" 1
1337 1 55 ILE MG 1 57 GLU QG . . 3.810 2.466 2.168 3.478 . 0 0 "[ . 1 . 2]" 1
1338 1 55 ILE MG 1 57 GLU HG3 . . 4.510 2.903 2.346 4.028 . 0 0 "[ . 1 . 2]" 1
1339 1 55 ILE MG 1 65 LEU MD2 . . 5.110 4.741 4.424 4.938 . 0 0 "[ . 1 . 2]" 1
1340 1 55 ILE MG 1 66 PHE H . . 4.610 4.297 4.000 4.552 . 0 0 "[ . 1 . 2]" 1
1341 1 55 ILE MG 1 66 PHE HB2 . . 4.140 3.572 3.412 3.723 . 0 0 "[ . 1 . 2]" 1
1342 1 55 ILE MG 1 66 PHE QD . . 3.750 3.041 2.701 3.238 . 0 0 "[ . 1 . 2]" 1
1343 1 55 ILE MG 1 66 PHE QE . . 4.490 4.204 3.857 4.460 . 0 0 "[ . 1 . 2]" 1
1344 1 56 PHE H 1 56 PHE QB . . 2.920 2.333 2.257 2.397 . 0 0 "[ . 1 . 2]" 1
1345 1 56 PHE H 1 56 PHE QD . . 3.660 2.339 2.065 2.583 . 0 0 "[ . 1 . 2]" 1
1346 1 56 PHE H 1 56 PHE QE . . 4.820 4.598 4.339 4.738 . 0 0 "[ . 1 . 2]" 1
1347 1 56 PHE H 1 65 LEU MD2 . . 4.890 3.939 3.756 4.104 . 0 0 "[ . 1 . 2]" 1
1348 1 56 PHE H 1 66 PHE H . . 5.500 5.073 4.926 5.180 . 0 0 "[ . 1 . 2]" 1
1349 1 56 PHE HA 1 57 GLU H . . 2.780 2.143 2.140 2.168 . 0 0 "[ . 1 . 2]" 1
1350 1 56 PHE HA 1 64 ILE H . . 5.130 4.803 4.567 5.075 . 0 0 "[ . 1 . 2]" 1
1351 1 56 PHE HA 1 65 LEU HA . . 3.660 3.093 2.776 3.236 . 0 0 "[ . 1 . 2]" 1
1352 1 56 PHE HA 1 65 LEU MD2 . . 4.240 2.815 2.629 3.075 . 0 0 "[ . 1 . 2]" 1
1353 1 56 PHE HA 1 66 PHE H . . 4.440 4.359 3.952 4.443 0.003 12 0 "[ . 1 . 2]" 1
1354 1 56 PHE QB 1 57 GLU H . . 3.450 3.374 3.096 3.450 . 0 0 "[ . 1 . 2]" 1
1355 1 56 PHE QB 1 65 LEU MD2 . . 4.510 3.915 3.711 4.231 . 0 0 "[ . 1 . 2]" 1
1356 1 56 PHE QD 1 57 GLU H . . 4.770 4.398 4.186 4.576 . 0 0 "[ . 1 . 2]" 1
1357 1 56 PHE QD 1 65 LEU MD2 . . 4.270 3.047 2.810 3.308 . 0 0 "[ . 1 . 2]" 1
1358 1 56 PHE QE 1 65 LEU MD2 . . 3.990 2.720 2.381 2.945 . 0 0 "[ . 1 . 2]" 1
1359 1 56 PHE HZ 1 65 LEU MD2 . . 4.420 2.984 2.651 3.355 . 0 0 "[ . 1 . 2]" 1
1360 1 57 GLU H 1 57 GLU HB2 . . 3.410 2.595 2.441 2.765 . 0 0 "[ . 1 . 2]" 1
1361 1 57 GLU H 1 57 GLU HG2 . . 4.730 3.684 2.871 4.627 . 0 0 "[ . 1 . 2]" 1
1362 1 57 GLU H 1 57 GLU QG . . 4.080 3.164 2.812 4.002 . 0 0 "[ . 1 . 2]" 1
1363 1 57 GLU H 1 57 GLU HG3 . . 4.730 3.778 2.998 4.466 . 0 0 "[ . 1 . 2]" 1
1364 1 57 GLU H 1 63 ARG HA . . 4.820 4.571 4.371 4.823 0.003 19 0 "[ . 1 . 2]" 1
1365 1 57 GLU H 1 64 ILE HB . . 3.490 3.321 3.085 3.478 . 0 0 "[ . 1 . 2]" 1
1366 1 57 GLU H 1 64 ILE MD . . 4.780 4.060 3.565 4.767 . 0 0 "[ . 1 . 2]" 1
1367 1 57 GLU H 1 64 ILE MG . . 4.550 4.353 3.899 4.547 . 0 0 "[ . 1 . 2]" 1
1368 1 57 GLU H 1 65 LEU HA . . 4.060 3.852 3.629 4.039 . 0 0 "[ . 1 . 2]" 1
1369 1 57 GLU H 1 65 LEU MD2 . . 4.970 4.330 4.110 4.536 . 0 0 "[ . 1 . 2]" 1
1370 1 57 GLU H 1 66 PHE H . . 5.500 5.305 5.155 5.484 . 0 0 "[ . 1 . 2]" 1
1371 1 57 GLU HB2 1 64 ILE H . . 3.760 3.412 3.124 3.729 . 0 0 "[ . 1 . 2]" 1
1372 1 57 GLU HB2 1 64 ILE HB . . 3.440 2.141 2.005 2.351 . 0 0 "[ . 1 . 2]" 1
1373 1 57 GLU HB2 1 64 ILE MD . . 3.410 2.400 2.028 3.119 . 0 0 "[ . 1 . 2]" 1
1374 1 57 GLU HB2 1 64 ILE HG13 . . 4.860 4.521 4.033 4.830 . 0 0 "[ . 1 . 2]" 1
1375 1 57 GLU HB2 1 64 ILE MG . . 3.910 3.565 3.092 3.845 . 0 0 "[ . 1 . 2]" 1
1376 1 57 GLU HB2 1 66 PHE QE . . 4.460 3.619 3.102 4.106 . 0 0 "[ . 1 . 2]" 1
1377 1 57 GLU HB3 1 58 HIS H . . 3.950 3.100 2.417 3.598 . 0 0 "[ . 1 . 2]" 1
1378 1 57 GLU HB3 1 64 ILE MD . . 3.840 2.701 2.037 3.092 . 0 0 "[ . 1 . 2]" 1
1379 1 57 GLU QG 1 58 HIS H . . 5.340 4.132 3.367 4.800 . 0 0 "[ . 1 . 2]" 1
1380 1 57 GLU QG 1 64 ILE MD . . 5.340 3.845 3.475 4.365 . 0 0 "[ . 1 . 2]" 1
1381 1 57 GLU QG 1 66 PHE QE . . 4.560 3.463 2.609 4.425 . 0 0 "[ . 1 . 2]" 1
1382 1 58 HIS H 1 58 HIS QB . . 3.580 2.544 2.260 2.871 . 0 0 "[ . 1 . 2]" 1
1383 1 58 HIS H 1 59 LYS H . . 4.600 4.273 4.020 4.412 . 0 0 "[ . 1 . 2]" 1
1384 1 58 HIS HA 1 58 HIS HD2 . . 4.580 3.188 2.260 4.350 . 0 0 "[ . 1 . 2]" 1
1385 1 58 HIS HA 1 59 LYS H . . 2.690 2.143 2.138 2.152 . 0 0 "[ . 1 . 2]" 1
1386 1 58 HIS HA 1 63 ARG HA . . 4.060 2.744 2.416 3.315 . 0 0 "[ . 1 . 2]" 1
1387 1 58 HIS HA 1 63 ARG QD . . 4.610 2.768 2.056 3.524 . 0 0 "[ . 1 . 2]" 1
1388 1 58 HIS HA 1 64 ILE H . . 3.940 3.597 3.118 3.921 . 0 0 "[ . 1 . 2]" 1
1389 1 58 HIS QB 1 59 LYS H . . 3.960 3.672 3.242 3.907 . 0 0 "[ . 1 . 2]" 1
1390 1 58 HIS HD2 1 59 LYS H . . 4.370 3.211 2.180 4.370 . 0 0 "[ . 1 . 2]" 1
1391 1 59 LYS H 1 59 LYS HB2 . . 3.830 2.732 2.448 3.276 . 0 0 "[ . 1 . 2]" 1
1392 1 59 LYS H 1 59 LYS QB . . 3.230 2.604 2.410 2.717 . 0 0 "[ . 1 . 2]" 1
1393 1 59 LYS H 1 59 LYS HB3 . . 3.830 3.576 2.726 3.837 0.007 4 0 "[ . 1 . 2]" 1
1394 1 59 LYS H 1 59 LYS QE . . 5.500 4.813 3.901 5.422 . 0 0 "[ . 1 . 2]" 1
1395 1 59 LYS H 1 59 LYS QG . . 4.180 3.458 2.692 4.166 . 0 0 "[ . 1 . 2]" 1
1396 1 59 LYS H 1 62 GLN H . . 3.720 3.164 2.918 3.627 . 0 0 "[ . 1 . 2]" 1
1397 1 59 LYS H 1 62 GLN QB . . 3.550 3.012 2.395 3.574 0.024 19 0 "[ . 1 . 2]" 1
1398 1 59 LYS H 1 62 GLN HE21 . . 4.390 4.016 3.360 4.380 . 0 0 "[ . 1 . 2]" 1
1399 1 59 LYS H 1 63 ARG HA . . 3.960 3.715 3.087 3.958 . 0 0 "[ . 1 . 2]" 1
1400 1 59 LYS H 1 63 ARG QD . . 5.340 4.214 3.225 5.167 . 0 0 "[ . 1 . 2]" 1
1401 1 59 LYS H 1 64 ILE H . . 4.750 4.541 4.312 4.754 0.004 17 0 "[ . 1 . 2]" 1
1402 1 59 LYS H 1 64 ILE MD . . 3.970 3.426 2.891 3.968 . 0 0 "[ . 1 . 2]" 1
1403 1 59 LYS QB 1 59 LYS QE . . 4.170 2.682 2.014 3.680 . 0 0 "[ . 1 . 2]" 1
1404 1 59 LYS QB 1 62 GLN QB . . 3.480 2.626 1.959 3.316 . 0 0 "[ . 1 . 2]" 1
1405 1 59 LYS QB 1 62 GLN HE21 . . 4.970 2.436 1.928 3.541 . 0 0 "[ . 1 . 2]" 1
1406 1 59 LYS QB 1 64 ILE MD . . 4.160 2.798 2.451 3.359 . 0 0 "[ . 1 . 2]" 1
1407 1 59 LYS QD 1 64 ILE MD . . 4.070 3.142 1.942 4.045 . 0 0 "[ . 1 . 2]" 1
1408 1 59 LYS QE 1 59 LYS QG . . 3.300 2.341 2.048 2.674 . 0 0 "[ . 1 . 2]" 1
1409 1 59 LYS QE 1 64 ILE MD . . 4.060 3.219 2.086 4.056 . 0 0 "[ . 1 . 2]" 1
1410 1 60 GLY QA 1 62 GLN H . . 4.210 3.846 3.635 4.030 . 0 0 "[ . 1 . 2]" 1
1411 1 60 GLY HA2 1 62 GLN H . . 4.820 4.346 3.969 4.822 0.002 16 0 "[ . 1 . 2]" 1
1412 1 60 GLY HA3 1 62 GLN H . . 4.820 4.370 3.894 4.829 0.009 19 0 "[ . 1 . 2]" 1
1413 1 61 CYS QB 1 62 GLN H . . 4.010 3.890 3.799 4.038 0.028 12 0 "[ . 1 . 2]" 1
1414 1 61 CYS HB2 1 62 GLN H . . 4.670 4.260 4.129 4.433 . 0 0 "[ . 1 . 2]" 1
1415 1 61 CYS HB3 1 62 GLN H . . 4.670 4.496 4.351 4.662 . 0 0 "[ . 1 . 2]" 1
1416 1 62 GLN H 1 62 GLN HB2 . . 3.370 3.170 2.897 3.312 . 0 0 "[ . 1 . 2]" 1
1417 1 62 GLN H 1 62 GLN QB . . 2.880 2.716 2.579 2.910 0.030 19 0 "[ . 1 . 2]" 1
1418 1 62 GLN H 1 62 GLN HB3 . . 3.370 2.971 2.717 3.255 . 0 0 "[ . 1 . 2]" 1
1419 1 62 GLN H 1 62 GLN HE21 . . 5.270 4.949 4.507 5.266 . 0 0 "[ . 1 . 2]" 1
1420 1 62 GLN H 1 62 GLN QG . . 5.040 4.182 4.079 4.296 . 0 0 "[ . 1 . 2]" 1
1421 1 62 GLN HA 1 62 GLN QG . . 3.680 2.386 2.215 2.517 . 0 0 "[ . 1 . 2]" 1
1422 1 62 GLN HA 1 63 ARG H . . 2.760 2.169 2.140 2.230 . 0 0 "[ . 1 . 2]" 1
1423 1 62 GLN QB 1 62 GLN HE22 . . 4.390 3.286 3.149 3.380 . 0 0 "[ . 1 . 2]" 1
1424 1 62 GLN QB 1 63 ARG H . . 4.280 3.764 3.521 3.934 . 0 0 "[ . 1 . 2]" 1
1425 1 62 GLN QB 1 64 ILE MD . . 3.890 3.395 2.943 3.894 0.004 15 0 "[ . 1 . 2]" 1
1426 1 62 GLN HE22 1 62 GLN QG . . 3.500 3.407 3.363 3.487 . 0 0 "[ . 1 . 2]" 1
1427 1 62 GLN QG 1 63 ARG H . . 3.890 2.877 2.174 3.375 . 0 0 "[ . 1 . 2]" 1
1428 1 62 GLN QG 1 64 ILE MD . . 4.020 3.165 2.392 3.988 . 0 0 "[ . 1 . 2]" 1
1429 1 63 ARG H 1 63 ARG HB2 . . 3.280 2.507 2.230 2.693 . 0 0 "[ . 1 . 2]" 1
1430 1 63 ARG H 1 63 ARG HB3 . . 3.970 3.683 3.499 3.803 . 0 0 "[ . 1 . 2]" 1
1431 1 63 ARG H 1 63 ARG QD . . 4.670 4.120 2.733 4.607 . 0 0 "[ . 1 . 2]" 1
1432 1 63 ARG H 1 63 ARG QG . . 3.790 2.926 2.518 3.780 . 0 0 "[ . 1 . 2]" 1
1433 1 63 ARG H 1 64 ILE H . . 4.570 4.288 4.140 4.431 . 0 0 "[ . 1 . 2]" 1
1434 1 63 ARG H 1 64 ILE HG13 . . 5.270 4.464 4.122 4.730 . 0 0 "[ . 1 . 2]" 1
1435 1 63 ARG HA 1 63 ARG HD2 . . 4.310 3.007 1.990 3.703 . 0 0 "[ . 1 . 2]" 1
1436 1 63 ARG HA 1 63 ARG QD . . 3.680 2.231 1.978 2.496 . 0 0 "[ . 1 . 2]" 1
1437 1 63 ARG HA 1 63 ARG HD3 . . 4.310 2.640 2.087 3.794 . 0 0 "[ . 1 . 2]" 1
1438 1 63 ARG HA 1 64 ILE H . . 2.780 2.146 2.140 2.164 . 0 0 "[ . 1 . 2]" 1
1439 1 63 ARG HA 1 64 ILE HB . . 5.020 4.761 4.618 4.875 . 0 0 "[ . 1 . 2]" 1
1440 1 63 ARG HB3 1 64 ILE H . . 3.910 3.528 3.227 3.804 . 0 0 "[ . 1 . 2]" 1
1441 1 63 ARG QD 1 64 ILE H . . 3.960 3.717 3.427 3.972 0.012 16 0 "[ . 1 . 2]" 1
1442 1 64 ILE H 1 64 ILE HB . . 3.080 2.666 2.477 2.827 . 0 0 "[ . 1 . 2]" 1
1443 1 64 ILE H 1 64 ILE MD . . 3.620 2.489 1.869 3.479 . 0 0 "[ . 1 . 2]" 1
1444 1 64 ILE H 1 64 ILE HG12 . . 4.120 4.004 3.899 4.120 0.000 17 0 "[ . 1 . 2]" 1
1445 1 64 ILE H 1 64 ILE HG13 . . 3.480 2.890 2.462 3.251 . 0 0 "[ . 1 . 2]" 1
1446 1 64 ILE H 1 64 ILE MG . . 3.900 3.845 3.777 3.910 0.010 19 0 "[ . 1 . 2]" 1
1447 1 64 ILE H 1 65 LEU H . . 4.600 4.533 4.471 4.574 . 0 0 "[ . 1 . 2]" 1
1448 1 64 ILE HA 1 64 ILE MD . . 4.020 3.634 3.367 3.936 . 0 0 "[ . 1 . 2]" 1
1449 1 64 ILE HA 1 64 ILE HG12 . . 3.960 3.333 2.810 3.630 . 0 0 "[ . 1 . 2]" 1
1450 1 64 ILE HA 1 64 ILE HG13 . . 3.930 2.593 2.462 2.834 . 0 0 "[ . 1 . 2]" 1
1451 1 64 ILE HA 1 64 ILE MG . . 3.530 2.278 2.153 2.400 . 0 0 "[ . 1 . 2]" 1
1452 1 64 ILE HA 1 65 LEU H . . 2.670 2.281 2.181 2.341 . 0 0 "[ . 1 . 2]" 1
1453 1 64 ILE HB 1 64 ILE MD . . 3.320 2.162 2.101 2.289 . 0 0 "[ . 1 . 2]" 1
1454 1 64 ILE HB 1 65 LEU H . . 4.370 3.710 3.544 3.973 . 0 0 "[ . 1 . 2]" 1
1455 1 64 ILE HB 1 66 PHE QD . . 5.500 4.297 4.059 4.906 . 0 0 "[ . 1 . 2]" 1
1456 1 64 ILE HB 1 66 PHE QE . . 5.290 3.166 2.629 3.795 . 0 0 "[ . 1 . 2]" 1
1457 1 64 ILE MD 1 64 ILE MG . . 3.270 2.860 2.197 3.166 . 0 0 "[ . 1 . 2]" 1
1458 1 64 ILE MD 1 66 PHE QE . . 4.360 3.915 3.252 4.353 . 0 0 "[ . 1 . 2]" 1
1459 1 64 ILE HG12 1 64 ILE MG . . 3.470 2.157 1.996 2.257 . 0 0 "[ . 1 . 2]" 1
1460 1 64 ILE HG12 1 65 LEU H . . 5.020 4.695 4.121 5.015 . 0 0 "[ . 1 . 2]" 1
1461 1 64 ILE HG13 1 65 LEU H . . 4.950 4.560 4.343 4.861 . 0 0 "[ . 1 . 2]" 1
1462 1 64 ILE MG 1 65 LEU H . . 2.980 2.067 1.884 2.402 . 0 0 "[ . 1 . 2]" 1
1463 1 64 ILE MG 1 65 LEU HA . . 4.610 3.549 3.224 3.847 . 0 0 "[ . 1 . 2]" 1
1464 1 64 ILE MG 1 66 PHE H . . 4.500 4.176 3.842 4.400 . 0 0 "[ . 1 . 2]" 1
1465 1 64 ILE MG 1 66 PHE QD . . 4.330 3.091 2.635 3.390 . 0 0 "[ . 1 . 2]" 1
1466 1 64 ILE MG 1 66 PHE QE . . 3.910 2.181 1.826 2.566 . 0 0 "[ . 1 . 2]" 1
1467 1 64 ILE MG 1 66 PHE HZ . . 4.340 2.534 2.200 2.995 . 0 0 "[ . 1 . 2]" 1
1468 1 65 LEU H 1 65 LEU HB2 . . 3.690 3.214 3.060 3.465 . 0 0 "[ . 1 . 2]" 1
1469 1 65 LEU H 1 65 LEU MD1 . . 4.560 3.957 3.623 4.189 . 0 0 "[ . 1 . 2]" 1
1470 1 65 LEU H 1 65 LEU MD2 . . 4.590 4.293 4.202 4.355 . 0 0 "[ . 1 . 2]" 1
1471 1 65 LEU H 1 65 LEU HG . . 5.170 5.038 4.945 5.105 . 0 0 "[ . 1 . 2]" 1
1472 1 65 LEU H 1 66 PHE H . . 4.590 4.221 4.157 4.311 . 0 0 "[ . 1 . 2]" 1
1473 1 65 LEU H 1 66 PHE HA . . 4.820 4.717 4.658 4.816 . 0 0 "[ . 1 . 2]" 1
1474 1 65 LEU HA 1 65 LEU MD2 . . 3.370 1.997 1.931 2.135 . 0 0 "[ . 1 . 2]" 1
1475 1 65 LEU HA 1 66 PHE H . . 2.770 2.153 2.147 2.163 . 0 0 "[ . 1 . 2]" 1
1476 1 65 LEU HB2 1 65 LEU MD2 . . 3.670 2.373 2.311 2.541 . 0 0 "[ . 1 . 2]" 1
1477 1 65 LEU HB2 1 66 PHE H . . 4.410 4.241 4.044 4.327 . 0 0 "[ . 1 . 2]" 1
1478 1 65 LEU HB3 1 65 LEU MD1 . . 3.600 2.219 2.146 2.312 . 0 0 "[ . 1 . 2]" 1
1479 1 65 LEU HB3 1 66 PHE H . . 4.860 4.152 4.072 4.261 . 0 0 "[ . 1 . 2]" 1
1480 1 65 LEU MD1 1 66 PHE H . . 4.490 2.439 2.166 2.829 . 0 0 "[ . 1 . 2]" 1
1481 1 65 LEU MD1 1 67 ILE MD . . 3.800 2.353 1.715 2.558 . 0 0 "[ . 1 . 2]" 1
1482 1 65 LEU MD1 1 67 ILE HG12 . . 4.600 2.373 2.046 2.938 . 0 0 "[ . 1 . 2]" 1
1483 1 65 LEU MD1 1 67 ILE HG13 . . 4.330 1.955 1.856 2.162 . 0 0 "[ . 1 . 2]" 1
1484 1 65 LEU MD2 1 66 PHE H . . 3.210 2.441 1.942 2.854 . 0 0 "[ . 1 . 2]" 1
1485 1 65 LEU MD2 1 67 ILE HG12 . . 4.210 3.988 3.722 4.219 0.009 19 0 "[ . 1 . 2]" 1
1486 1 65 LEU MD2 1 67 ILE HG13 . . 5.280 3.955 2.877 4.338 . 0 0 "[ . 1 . 2]" 1
1487 1 65 LEU HG 1 66 PHE H . . 4.690 4.554 4.454 4.614 . 0 0 "[ . 1 . 2]" 1
1488 1 65 LEU HG 1 67 ILE HG13 . . 4.600 4.380 4.167 4.594 . 0 0 "[ . 1 . 2]" 1
1489 1 66 PHE H 1 66 PHE HB2 . . 3.390 2.576 2.483 2.639 . 0 0 "[ . 1 . 2]" 1
1490 1 66 PHE H 1 66 PHE HB3 . . 3.930 3.741 3.683 3.770 . 0 0 "[ . 1 . 2]" 1
1491 1 66 PHE H 1 66 PHE QD . . 3.630 2.958 2.387 3.306 . 0 0 "[ . 1 . 2]" 1
1492 1 66 PHE H 1 66 PHE QE . . 5.100 4.932 4.564 5.100 . 0 0 "[ . 1 . 2]" 1
1493 1 66 PHE H 1 67 ILE H . . 4.560 4.390 4.243 4.476 . 0 0 "[ . 1 . 2]" 1
1494 1 66 PHE H 1 67 ILE HG13 . . 5.120 4.473 4.358 4.569 . 0 0 "[ . 1 . 2]" 1
1495 1 66 PHE HA 1 66 PHE QD . . 4.150 2.814 2.503 3.151 . 0 0 "[ . 1 . 2]" 1
1496 1 66 PHE HA 1 67 ILE H . . 2.720 2.174 2.140 2.259 . 0 0 "[ . 1 . 2]" 1
1497 1 66 PHE HA 1 67 ILE HB . . 5.500 4.652 4.561 4.752 . 0 0 "[ . 1 . 2]" 1
1498 1 66 PHE HB2 1 67 ILE H . . 4.320 4.169 3.874 4.321 0.001 11 0 "[ . 1 . 2]" 1
1499 1 66 PHE HB3 1 67 ILE H . . 3.630 3.173 2.817 3.478 . 0 0 "[ . 1 . 2]" 1
1500 1 66 PHE QD 1 67 ILE H . . 4.270 3.945 3.718 4.250 . 0 0 "[ . 1 . 2]" 1
1501 1 67 ILE H 1 67 ILE HB . . 3.360 2.675 2.581 2.793 . 0 0 "[ . 1 . 2]" 1
1502 1 67 ILE H 1 67 ILE MD . . 4.750 3.780 2.380 4.025 . 0 0 "[ . 1 . 2]" 1
1503 1 67 ILE H 1 67 ILE HG12 . . 4.500 3.928 3.687 4.308 . 0 0 "[ . 1 . 2]" 1
1504 1 67 ILE H 1 67 ILE HG13 . . 3.530 2.698 2.453 3.331 . 0 0 "[ . 1 . 2]" 1
1505 1 67 ILE H 1 67 ILE MG . . 4.170 3.865 3.824 3.917 . 0 0 "[ . 1 . 2]" 1
1506 1 67 ILE H 1 68 ASN H . . 4.490 4.185 3.956 4.365 . 0 0 "[ . 1 . 2]" 1
1507 1 67 ILE HA 1 67 ILE MD . . 4.600 3.858 3.495 3.922 . 0 0 "[ . 1 . 2]" 1
1508 1 67 ILE HA 1 67 ILE HG12 . . 3.960 2.687 2.536 3.555 . 0 0 "[ . 1 . 2]" 1
1509 1 67 ILE HA 1 67 ILE HG13 . . 4.230 2.966 2.470 3.118 . 0 0 "[ . 1 . 2]" 1
1510 1 67 ILE HA 1 67 ILE MG . . 3.420 2.320 2.183 2.452 . 0 0 "[ . 1 . 2]" 1
1511 1 67 ILE HA 1 68 ASN H . . 2.680 2.152 2.139 2.188 . 0 0 "[ . 1 . 2]" 1
1512 1 67 ILE HA 1 68 ASN QB . . 4.560 4.314 4.241 4.479 . 0 0 "[ . 1 . 2]" 1
1513 1 67 ILE HB 1 68 ASN H . . 4.480 4.314 4.215 4.411 . 0 0 "[ . 1 . 2]" 1
1514 1 67 ILE HB 1 70 CYS HG . . 4.690 3.960 3.335 4.591 . 0 0 "[ . 1 . 2]" 1
1515 1 67 ILE MD 1 78 TYR QD . . 4.520 3.438 3.019 4.000 . 0 0 "[ . 1 . 2]" 1
1516 1 67 ILE HG13 1 68 ASN H . . 5.160 5.036 4.596 5.142 . 0 0 "[ . 1 . 2]" 1
1517 1 67 ILE MG 1 68 ASN H . . 3.250 2.943 2.701 3.250 0.000 14 0 "[ . 1 . 2]" 1
1518 1 67 ILE MG 1 70 CYS H . . 4.650 4.582 4.429 4.652 0.002 19 0 "[ . 1 . 2]" 1
1519 1 67 ILE MG 1 70 CYS HA . . 4.520 3.641 3.454 3.904 . 0 0 "[ . 1 . 2]" 1
1520 1 67 ILE MG 1 70 CYS HG . . 4.710 3.744 3.179 4.157 . 0 0 "[ . 1 . 2]" 1
1521 1 68 ASN H 1 68 ASN QB . . 2.930 2.315 2.247 2.490 . 0 0 "[ . 1 . 2]" 1
1522 1 68 ASN H 1 68 ASN HD21 . . 3.950 2.678 2.355 2.994 . 0 0 "[ . 1 . 2]" 1
1523 1 68 ASN H 1 68 ASN HD22 . . 4.620 3.949 3.465 4.244 . 0 0 "[ . 1 . 2]" 1
1524 1 68 ASN HA 1 69 ASN H . . 2.700 2.377 2.301 2.452 . 0 0 "[ . 1 . 2]" 1
1525 1 68 ASN HA 1 69 ASN HA . . 4.760 4.519 4.487 4.559 . 0 0 "[ . 1 . 2]" 1
1526 1 68 ASN HA 1 70 CYS H . . 4.210 3.714 3.520 3.874 . 0 0 "[ . 1 . 2]" 1
1527 1 68 ASN QB 1 68 ASN HD21 . . 3.190 2.148 2.104 2.235 . 0 0 "[ . 1 . 2]" 1
1528 1 68 ASN QB 1 68 ASN HD22 . . 3.490 3.265 3.245 3.299 . 0 0 "[ . 1 . 2]" 1
1529 1 68 ASN QB 1 69 ASN H . . 3.130 2.477 2.302 2.676 . 0 0 "[ . 1 . 2]" 1
1530 1 68 ASN QB 1 69 ASN HA . . 4.560 4.162 4.068 4.230 . 0 0 "[ . 1 . 2]" 1
1531 1 68 ASN QB 1 69 ASN QB . . 4.390 3.538 3.173 3.903 . 0 0 "[ . 1 . 2]" 1
1532 1 69 ASN H 1 69 ASN HA . . 2.700 2.276 2.273 2.286 . 0 0 "[ . 1 . 2]" 1
1533 1 69 ASN H 1 69 ASN QB . . 3.440 3.250 2.985 3.448 0.008 1 0 "[ . 1 . 2]" 1
1534 1 69 ASN H 1 70 CYS H . . 3.510 2.687 2.520 2.863 . 0 0 "[ . 1 . 2]" 1
1535 1 69 ASN HA 1 70 CYS H . . 3.020 2.716 2.626 2.814 . 0 0 "[ . 1 . 2]" 1
1536 1 69 ASN QB 1 69 ASN QD . . 2.900 2.143 2.063 2.219 . 0 0 "[ . 1 . 2]" 1
1537 1 69 ASN QB 1 70 CYS H . . 4.090 3.902 3.859 3.992 . 0 0 "[ . 1 . 2]" 1
1538 1 69 ASN HB2 1 69 ASN HD22 . . 3.980 3.628 3.433 3.898 . 0 0 "[ . 1 . 2]" 1
1539 1 69 ASN HB2 1 70 CYS H . . 4.800 4.387 4.200 4.653 . 0 0 "[ . 1 . 2]" 1
1540 1 69 ASN HB3 1 69 ASN HD22 . . 3.980 3.638 3.437 3.942 . 0 0 "[ . 1 . 2]" 1
1541 1 69 ASN HB3 1 70 CYS H . . 4.800 4.389 4.231 4.520 . 0 0 "[ . 1 . 2]" 1
1542 1 70 CYS H 1 70 CYS HB2 . . 3.020 2.465 2.393 2.640 . 0 0 "[ . 1 . 2]" 1
1543 1 70 CYS H 1 70 CYS HB3 . . 3.650 3.590 3.579 3.600 . 0 0 "[ . 1 . 2]" 1
1544 1 70 CYS H 1 70 CYS HG . . 2.830 2.470 2.095 2.698 . 0 0 "[ . 1 . 2]" 1
1545 1 70 CYS H 1 71 GLN H . . 4.580 4.292 4.239 4.455 . 0 0 "[ . 1 . 2]" 1
1546 1 70 CYS HA 1 70 CYS HG . . 4.100 3.433 3.068 3.775 . 0 0 "[ . 1 . 2]" 1
1547 1 70 CYS HA 1 71 GLN H . . 2.810 2.182 2.140 2.204 . 0 0 "[ . 1 . 2]" 1
1548 1 70 CYS HA 1 74 ASP HB2 . . 4.530 3.134 2.506 3.853 . 0 0 "[ . 1 . 2]" 1
1549 1 70 CYS HA 1 74 ASP HB3 . . 4.530 3.460 2.728 4.019 . 0 0 "[ . 1 . 2]" 1
1550 1 70 CYS HB2 1 93 VAL MG2 . . 4.020 2.859 2.298 3.298 . 0 0 "[ . 1 . 2]" 1
1551 1 70 CYS HB3 1 71 GLN H . . 3.920 3.826 3.539 3.907 . 0 0 "[ . 1 . 2]" 1
1552 1 70 CYS HB3 1 91 LEU MD1 . . 4.000 3.427 3.159 3.773 . 0 0 "[ . 1 . 2]" 1
1553 1 70 CYS HB3 1 93 VAL MG1 . . 4.140 3.611 3.209 3.941 . 0 0 "[ . 1 . 2]" 1
1554 1 70 CYS HB3 1 93 VAL MG2 . . 3.950 2.452 1.980 3.090 . 0 0 "[ . 1 . 2]" 1
1555 1 71 GLN H 1 71 GLN HB3 . . 3.620 2.812 2.518 2.957 . 0 0 "[ . 1 . 2]" 1
1556 1 71 GLN H 1 71 GLN QG . . 4.950 4.149 4.054 4.213 . 0 0 "[ . 1 . 2]" 1
1557 1 71 GLN H 1 74 ASP H . . 4.240 3.362 2.819 3.941 . 0 0 "[ . 1 . 2]" 1
1558 1 71 GLN H 1 74 ASP HB2 . . 3.640 2.015 1.901 2.382 . 0 0 "[ . 1 . 2]" 1
1559 1 71 GLN H 1 74 ASP QB . . 3.130 1.983 1.881 2.154 . 0 0 "[ . 1 . 2]" 1
1560 1 71 GLN H 1 74 ASP HB3 . . 3.640 3.133 2.428 3.454 . 0 0 "[ . 1 . 2]" 1
1561 1 71 GLN H 1 91 LEU MD1 . . 5.500 5.232 4.494 5.504 0.004 11 0 "[ . 1 . 2]" 1
1562 1 71 GLN H 1 93 VAL MG1 . . 4.330 3.928 3.573 4.201 . 0 0 "[ . 1 . 2]" 1
1563 1 71 GLN H 1 93 VAL MG2 . . 4.820 3.885 3.538 4.203 . 0 0 "[ . 1 . 2]" 1
1564 1 71 GLN HA 1 71 GLN HE21 . . 5.010 2.554 1.881 3.637 . 0 0 "[ . 1 . 2]" 1
1565 1 71 GLN HA 1 71 GLN HE22 . . 5.010 3.617 3.190 5.029 0.019 7 0 "[ . 1 . 2]" 1
1566 1 71 GLN HA 1 93 VAL MG1 . . 3.830 3.531 2.924 3.820 . 0 0 "[ . 1 . 2]" 1
1567 1 71 GLN HA 1 93 VAL MG2 . . 3.740 2.956 2.387 3.368 . 0 0 "[ . 1 . 2]" 1
1568 1 71 GLN HB2 1 71 GLN HE21 . . 4.100 2.692 1.986 3.352 . 0 0 "[ . 1 . 2]" 1
1569 1 71 GLN HB2 1 71 GLN QE . . 3.520 2.610 1.975 3.173 . 0 0 "[ . 1 . 2]" 1
1570 1 71 GLN HB2 1 71 GLN HE22 . . 4.100 3.717 3.417 3.923 . 0 0 "[ . 1 . 2]" 1
1571 1 71 GLN HB3 1 72 MET H . . 4.230 3.399 3.102 3.730 . 0 0 "[ . 1 . 2]" 1
1572 1 71 GLN HB3 1 73 THR H . . 4.300 2.906 2.411 3.711 . 0 0 "[ . 1 . 2]" 1
1573 1 71 GLN HB3 1 74 ASP H . . 4.620 2.658 2.209 3.107 . 0 0 "[ . 1 . 2]" 1
1574 1 71 GLN QE 1 71 GLN QG . . 2.990 2.390 2.230 2.543 . 0 0 "[ . 1 . 2]" 1
1575 1 71 GLN QG 1 73 THR H . . 4.060 2.754 1.919 3.320 . 0 0 "[ . 1 . 2]" 1
1576 1 71 GLN QG 1 74 ASP H . . 4.620 3.955 3.359 4.430 . 0 0 "[ . 1 . 2]" 1
1577 1 71 GLN HG2 1 72 MET H . . 4.070 3.476 2.309 4.072 0.002 5 0 "[ . 1 . 2]" 1
1578 1 71 GLN HG3 1 72 MET H . . 4.070 2.064 1.892 2.515 . 0 0 "[ . 1 . 2]" 1
1579 1 72 MET H 1 72 MET QB . . 3.530 2.304 2.114 2.648 . 0 0 "[ . 1 . 2]" 1
1580 1 72 MET H 1 72 MET QG . . 4.570 3.158 1.934 4.070 . 0 0 "[ . 1 . 2]" 1
1581 1 72 MET H 1 73 THR H . . 4.670 2.884 2.594 3.107 . 0 0 "[ . 1 . 2]" 1
1582 1 72 MET HA 1 72 MET ME . . 4.140 3.152 2.066 4.119 . 0 0 "[ . 1 . 2]" 1
1583 1 72 MET HA 1 72 MET QG . . 3.730 2.578 2.155 3.103 . 0 0 "[ . 1 . 2]" 1
1584 1 72 MET HA 1 74 ASP H . . 4.630 4.240 3.966 4.509 . 0 0 "[ . 1 . 2]" 1
1585 1 72 MET HA 1 75 ASP H . . 4.040 3.665 3.288 3.799 . 0 0 "[ . 1 . 2]" 1
1586 1 72 MET HA 1 75 ASP HB2 . . 4.770 4.270 3.402 4.777 0.007 17 0 "[ . 1 . 2]" 1
1587 1 72 MET HA 1 75 ASP HB3 . . 4.600 3.371 2.577 3.884 . 0 0 "[ . 1 . 2]" 1
1588 1 72 MET HA 1 93 VAL H . . 4.830 4.494 4.097 4.830 . 0 0 "[ . 1 . 2]" 1
1589 1 72 MET HA 1 93 VAL MG1 . . 4.090 2.050 1.849 2.361 . 0 0 "[ . 1 . 2]" 1
1590 1 72 MET HA 1 93 VAL MG2 . . 4.040 3.374 2.967 3.940 . 0 0 "[ . 1 . 2]" 1
1591 1 72 MET QB 1 73 THR H . . 4.160 2.609 2.144 3.129 . 0 0 "[ . 1 . 2]" 1
1592 1 72 MET QB 1 73 THR MG . . 4.470 3.411 3.075 4.295 . 0 0 "[ . 1 . 2]" 1
1593 1 72 MET ME 1 93 VAL H . . 5.490 4.613 3.288 5.481 . 0 0 "[ . 1 . 2]" 1
1594 1 72 MET ME 1 93 VAL MG1 . . 4.450 3.160 1.949 4.008 . 0 0 "[ . 1 . 2]" 1
1595 1 72 MET ME 1 93 VAL MG2 . . 4.230 3.477 1.895 4.177 . 0 0 "[ . 1 . 2]" 1
1596 1 72 MET ME 1 94 ARG HA . . 4.650 3.152 1.994 4.598 . 0 0 "[ . 1 . 2]" 1
1597 1 72 MET ME 1 95 SER HA . . 5.230 3.778 2.296 5.231 0.001 8 0 "[ . 1 . 2]" 1
1598 1 72 MET ME 1 95 SER QB . . 4.180 2.511 1.843 3.671 . 0 0 "[ . 1 . 2]" 1
1599 1 72 MET QG 1 73 THR H . . 5.340 4.091 3.541 4.722 . 0 0 "[ . 1 . 2]" 1
1600 1 73 THR H 1 73 THR MG . . 3.580 2.297 1.887 2.603 . 0 0 "[ . 1 . 2]" 1
1601 1 73 THR H 1 74 ASP H . . 3.700 2.563 2.224 2.805 . 0 0 "[ . 1 . 2]" 1
1602 1 73 THR HA 1 73 THR MG . . 3.260 2.513 2.214 3.207 . 0 0 "[ . 1 . 2]" 1
1603 1 73 THR HA 1 75 ASP H . . 4.400 4.250 4.051 4.381 . 0 0 "[ . 1 . 2]" 1
1604 1 73 THR HB 1 74 ASP H . . 4.870 3.836 3.555 4.263 . 0 0 "[ . 1 . 2]" 1
1605 1 73 THR MG 1 74 ASP H . . 4.640 3.553 1.898 4.118 . 0 0 "[ . 1 . 2]" 1
1606 1 74 ASP H 1 74 ASP HB2 . . 3.630 2.303 2.179 2.687 . 0 0 "[ . 1 . 2]" 1
1607 1 74 ASP H 1 74 ASP QB . . 3.110 2.237 2.127 2.455 . 0 0 "[ . 1 . 2]" 1
1608 1 74 ASP H 1 74 ASP HB3 . . 3.630 3.287 2.389 3.592 . 0 0 "[ . 1 . 2]" 1
1609 1 74 ASP H 1 75 ASP H . . 3.160 2.677 2.321 2.870 . 0 0 "[ . 1 . 2]" 1
1610 1 74 ASP H 1 75 ASP HB3 . . 4.670 4.560 4.217 4.679 0.009 12 0 "[ . 1 . 2]" 1
1611 1 74 ASP H 1 93 VAL MG1 . . 4.240 3.847 3.440 4.197 . 0 0 "[ . 1 . 2]" 1
1612 1 74 ASP QB 1 75 ASP H . . 4.210 2.640 2.398 2.999 . 0 0 "[ . 1 . 2]" 1
1613 1 74 ASP QB 1 91 LEU MD1 . . 4.170 3.811 3.209 4.187 0.017 4 0 "[ . 1 . 2]" 1
1614 1 74 ASP QB 1 93 VAL MG1 . . 3.890 3.275 2.398 3.712 . 0 0 "[ . 1 . 2]" 1
1615 1 74 ASP HB2 1 91 LEU MD1 . . 4.840 4.653 4.153 4.841 0.001 12 0 "[ . 1 . 2]" 1
1616 1 74 ASP HB3 1 91 LEU MD1 . . 4.840 4.178 3.259 4.837 . 0 0 "[ . 1 . 2]" 1
1617 1 75 ASP H 1 75 ASP HB2 . . 3.670 3.065 2.843 3.573 . 0 0 "[ . 1 . 2]" 1
1618 1 75 ASP H 1 75 ASP HB3 . . 3.260 2.268 2.173 2.337 . 0 0 "[ . 1 . 2]" 1
1619 1 75 ASP H 1 76 SER H . . 4.590 4.233 4.127 4.424 . 0 0 "[ . 1 . 2]" 1
1620 1 75 ASP H 1 91 LEU MD1 . . 5.200 3.608 3.354 3.869 . 0 0 "[ . 1 . 2]" 1
1621 1 75 ASP H 1 93 VAL H . . 5.280 4.773 4.151 5.224 . 0 0 "[ . 1 . 2]" 1
1622 1 75 ASP H 1 93 VAL HB . . 5.500 4.710 4.193 5.279 . 0 0 "[ . 1 . 2]" 1
1623 1 75 ASP H 1 93 VAL MG1 . . 4.020 2.535 2.009 2.911 . 0 0 "[ . 1 . 2]" 1
1624 1 75 ASP HB2 1 76 SER H . . 4.700 4.182 3.660 4.420 . 0 0 "[ . 1 . 2]" 1
1625 1 75 ASP HB2 1 91 LEU MD1 . . 3.640 2.334 1.956 2.781 . 0 0 "[ . 1 . 2]" 1
1626 1 75 ASP HB2 1 93 VAL H . . 3.830 2.572 2.034 3.242 . 0 0 "[ . 1 . 2]" 1
1627 1 75 ASP HB2 1 93 VAL HB . . 4.680 4.263 3.855 4.690 0.010 17 0 "[ . 1 . 2]" 1
1628 1 75 ASP HB2 1 93 VAL MG1 . . 3.550 2.268 1.870 3.037 . 0 0 "[ . 1 . 2]" 1
1629 1 75 ASP HB3 1 76 SER H . . 5.380 4.583 4.509 4.613 . 0 0 "[ . 1 . 2]" 1
1630 1 75 ASP HB3 1 93 VAL HB . . 5.310 4.915 3.831 5.325 0.015 7 0 "[ . 1 . 2]" 1
1631 1 75 ASP HB3 1 93 VAL MG1 . . 4.370 2.478 1.809 2.828 . 0 0 "[ . 1 . 2]" 1
1632 1 76 SER H 1 76 SER HB2 . . 3.890 2.881 2.576 3.852 . 0 0 "[ . 1 . 2]" 1
1633 1 76 SER H 1 76 SER QB . . 3.400 2.659 2.528 3.141 . 0 0 "[ . 1 . 2]" 1
1634 1 76 SER H 1 76 SER HB3 . . 3.890 3.418 2.847 3.793 . 0 0 "[ . 1 . 2]" 1
1635 1 76 SER H 1 77 GLU H . . 4.450 4.434 4.425 4.455 0.005 6 0 "[ . 1 . 2]" 1
1636 1 76 SER H 1 78 TYR QD . . 4.410 4.285 4.016 4.410 . 0 0 "[ . 1 . 2]" 1
1637 1 76 SER H 1 78 TYR QE . . 3.630 2.480 2.053 2.808 . 0 0 "[ . 1 . 2]" 1
1638 1 76 SER H 1 91 LEU H . . 4.380 4.107 3.731 4.363 . 0 0 "[ . 1 . 2]" 1
1639 1 76 SER H 1 91 LEU HB2 . . 4.860 3.872 3.594 4.230 . 0 0 "[ . 1 . 2]" 1
1640 1 76 SER H 1 91 LEU HB3 . . 3.290 2.630 2.413 2.890 . 0 0 "[ . 1 . 2]" 1
1641 1 76 SER H 1 91 LEU MD1 . . 4.110 3.520 3.180 3.923 . 0 0 "[ . 1 . 2]" 1
1642 1 76 SER H 1 91 LEU HG . . 5.160 4.051 3.747 4.433 . 0 0 "[ . 1 . 2]" 1
1643 1 76 SER H 1 93 VAL MG1 . . 5.340 4.932 4.661 5.220 . 0 0 "[ . 1 . 2]" 1
1644 1 76 SER HA 1 77 GLU H . . 2.740 2.467 2.379 2.513 . 0 0 "[ . 1 . 2]" 1
1645 1 76 SER HA 1 77 GLU QB . . 5.380 4.154 4.086 4.251 . 0 0 "[ . 1 . 2]" 1
1646 1 76 SER QB 1 77 GLU H . . 3.310 2.557 2.180 3.199 . 0 0 "[ . 1 . 2]" 1
1647 1 76 SER QB 1 78 TYR QE . . 3.920 3.566 3.337 3.919 . 0 0 "[ . 1 . 2]" 1
1648 1 76 SER HB2 1 77 GLU H . . 3.990 3.622 2.252 3.916 . 0 0 "[ . 1 . 2]" 1
1649 1 76 SER HB3 1 77 GLU H . . 3.990 2.758 2.200 3.680 . 0 0 "[ . 1 . 2]" 1
1650 1 77 GLU H 1 77 GLU QB . . 2.820 2.323 2.223 2.439 . 0 0 "[ . 1 . 2]" 1
1651 1 77 GLU H 1 77 GLU HG2 . . 4.850 3.891 2.438 4.613 . 0 0 "[ . 1 . 2]" 1
1652 1 77 GLU H 1 77 GLU QG . . 4.150 3.550 2.413 4.083 . 0 0 "[ . 1 . 2]" 1
1653 1 77 GLU H 1 77 GLU HG3 . . 4.850 4.339 3.858 4.704 . 0 0 "[ . 1 . 2]" 1
1654 1 77 GLU H 1 78 TYR H . . 4.660 4.400 4.277 4.577 . 0 0 "[ . 1 . 2]" 1
1655 1 77 GLU H 1 78 TYR QD . . 5.500 5.041 4.675 5.400 . 0 0 "[ . 1 . 2]" 1
1656 1 77 GLU H 1 90 GLU HA . . 5.490 5.399 4.825 5.497 0.007 15 0 "[ . 1 . 2]" 1
1657 1 77 GLU HA 1 77 GLU HG2 . . 4.150 3.189 2.545 3.648 . 0 0 "[ . 1 . 2]" 1
1658 1 77 GLU HA 1 77 GLU HG3 . . 4.150 3.005 2.270 3.819 . 0 0 "[ . 1 . 2]" 1
1659 1 77 GLU HA 1 78 TYR H . . 2.790 2.159 2.145 2.197 . 0 0 "[ . 1 . 2]" 1
1660 1 77 GLU HA 1 78 TYR HA . . 4.680 4.405 4.387 4.417 . 0 0 "[ . 1 . 2]" 1
1661 1 77 GLU HA 1 78 TYR QD . . 4.510 3.432 3.125 3.957 . 0 0 "[ . 1 . 2]" 1
1662 1 77 GLU HA 1 90 GLU HA . . 3.380 2.924 2.460 3.106 . 0 0 "[ . 1 . 2]" 1
1663 1 77 GLU HA 1 90 GLU QG . . 4.450 3.714 3.408 4.093 . 0 0 "[ . 1 . 2]" 1
1664 1 77 GLU HA 1 91 LEU H . . 3.970 3.644 3.128 3.959 . 0 0 "[ . 1 . 2]" 1
1665 1 77 GLU QB 1 78 TYR H . . 4.120 3.668 3.011 3.933 . 0 0 "[ . 1 . 2]" 1
1666 1 77 GLU QG 1 78 TYR H . . 3.750 3.326 2.705 3.750 . 0 0 "[ . 1 . 2]" 1
1667 1 77 GLU HG2 1 78 TYR H . . 4.420 3.797 2.729 4.427 0.007 7 0 "[ . 1 . 2]" 1
1668 1 77 GLU HG3 1 78 TYR H . . 4.420 3.865 3.344 4.418 . 0 0 "[ . 1 . 2]" 1
1669 1 78 TYR H 1 78 TYR HB2 . . 3.600 2.592 2.527 2.685 . 0 0 "[ . 1 . 2]" 1
1670 1 78 TYR H 1 78 TYR HB3 . . 3.960 3.701 3.639 3.800 . 0 0 "[ . 1 . 2]" 1
1671 1 78 TYR H 1 78 TYR QD . . 3.580 2.295 1.899 2.729 . 0 0 "[ . 1 . 2]" 1
1672 1 78 TYR H 1 79 TYR QB . . 5.340 4.954 4.655 5.262 . 0 0 "[ . 1 . 2]" 1
1673 1 78 TYR H 1 89 THR MG . . 3.850 2.924 2.499 3.225 . 0 0 "[ . 1 . 2]" 1
1674 1 78 TYR H 1 90 GLU HA . . 3.940 3.764 3.452 3.941 0.001 20 0 "[ . 1 . 2]" 1
1675 1 78 TYR H 1 91 LEU H . . 4.620 4.430 4.251 4.626 0.006 7 0 "[ . 1 . 2]" 1
1676 1 78 TYR HA 1 78 TYR QD . . 4.090 3.061 2.836 3.204 . 0 0 "[ . 1 . 2]" 1
1677 1 78 TYR HA 1 79 TYR H . . 2.710 2.240 2.184 2.313 . 0 0 "[ . 1 . 2]" 1
1678 1 78 TYR HA 1 79 TYR QD . . 4.230 3.413 3.115 3.790 . 0 0 "[ . 1 . 2]" 1
1679 1 78 TYR HA 1 89 THR MG . . 4.970 4.391 4.258 4.552 . 0 0 "[ . 1 . 2]" 1
1680 1 78 TYR HB2 1 79 TYR H . . 4.060 3.885 3.740 4.012 . 0 0 "[ . 1 . 2]" 1
1681 1 78 TYR HB2 1 89 THR MG . . 3.540 2.263 2.067 2.485 . 0 0 "[ . 1 . 2]" 1
1682 1 78 TYR HB3 1 79 TYR H . . 3.380 2.886 2.659 3.091 . 0 0 "[ . 1 . 2]" 1
1683 1 78 TYR HB3 1 89 THR H . . 5.400 5.010 4.577 5.366 . 0 0 "[ . 1 . 2]" 1
1684 1 78 TYR HB3 1 89 THR MG . . 3.920 3.552 3.292 3.858 . 0 0 "[ . 1 . 2]" 1
1685 1 78 TYR QD 1 79 TYR H . . 4.330 4.153 3.986 4.331 0.001 4 0 "[ . 1 . 2]" 1
1686 1 78 TYR QD 1 89 THR H . . 5.010 4.849 4.625 5.012 0.002 15 0 "[ . 1 . 2]" 1
1687 1 78 TYR QD 1 90 GLU HA . . 4.760 4.124 3.685 4.400 . 0 0 "[ . 1 . 2]" 1
1688 1 78 TYR QD 1 91 LEU H . . 4.010 3.694 3.327 3.997 . 0 0 "[ . 1 . 2]" 1
1689 1 78 TYR QD 1 91 LEU HB2 . . 4.440 2.946 2.695 3.421 . 0 0 "[ . 1 . 2]" 1
1690 1 78 TYR QD 1 91 LEU HB3 . . 4.490 3.844 3.615 4.041 . 0 0 "[ . 1 . 2]" 1
1691 1 78 TYR QD 1 91 LEU MD1 . . 5.500 5.266 4.976 5.403 . 0 0 "[ . 1 . 2]" 1
1692 1 78 TYR QE 1 91 LEU H . . 4.010 3.812 3.420 3.992 . 0 0 "[ . 1 . 2]" 1
1693 1 78 TYR QE 1 91 LEU HB2 . . 4.330 2.253 2.000 2.658 . 0 0 "[ . 1 . 2]" 1
1694 1 78 TYR QE 1 91 LEU HB3 . . 3.940 2.363 2.124 2.576 . 0 0 "[ . 1 . 2]" 1
1695 1 78 TYR QE 1 91 LEU MD1 . . 3.840 3.745 3.324 3.840 0.000 19 0 "[ . 1 . 2]" 1
1696 1 78 TYR QE 1 91 LEU HG . . 5.100 2.910 2.605 3.226 . 0 0 "[ . 1 . 2]" 1
1697 1 79 TYR H 1 79 TYR QB . . 3.800 3.094 3.004 3.189 . 0 0 "[ . 1 . 2]" 1
1698 1 79 TYR H 1 79 TYR QD . . 3.820 2.813 2.415 3.009 . 0 0 "[ . 1 . 2]" 1
1699 1 79 TYR H 1 89 THR MG . . 5.110 4.713 4.480 4.900 . 0 0 "[ . 1 . 2]" 1
1700 1 79 TYR HA 1 79 TYR QD . . 4.240 3.728 3.695 3.738 . 0 0 "[ . 1 . 2]" 1
1701 1 79 TYR HA 1 80 VAL H . . 2.810 2.160 2.141 2.178 . 0 0 "[ . 1 . 2]" 1
1702 1 79 TYR HA 1 80 VAL HB . . 4.760 4.498 4.422 4.553 . 0 0 "[ . 1 . 2]" 1
1703 1 79 TYR HA 1 80 VAL MG1 . . 4.340 3.863 3.753 3.991 . 0 0 "[ . 1 . 2]" 1
1704 1 79 TYR HA 1 88 SER QB . . 4.610 3.496 3.187 4.146 . 0 0 "[ . 1 . 2]" 1
1705 1 79 TYR HA 1 89 THR MG . . 5.160 3.951 3.636 4.177 . 0 0 "[ . 1 . 2]" 1
1706 1 79 TYR QB 1 80 VAL H . . 3.310 3.161 3.052 3.315 0.005 15 0 "[ . 1 . 2]" 1
1707 1 79 TYR QB 1 80 VAL MG1 . . 5.050 4.548 4.444 4.699 . 0 0 "[ . 1 . 2]" 1
1708 1 79 TYR QB 1 86 LYS QE . . 4.330 3.742 2.329 4.323 . 0 0 "[ . 1 . 2]" 1
1709 1 79 TYR QB 1 86 LYS QG . . 4.330 4.149 3.872 4.331 0.001 20 0 "[ . 1 . 2]" 1
1710 1 79 TYR QB 1 87 CYS H . . 4.310 4.068 3.863 4.298 . 0 0 "[ . 1 . 2]" 1
1711 1 79 TYR QB 1 88 SER HA . . 3.660 2.675 2.462 2.821 . 0 0 "[ . 1 . 2]" 1
1712 1 79 TYR QB 1 88 SER HB2 . . 4.060 3.146 2.393 4.040 . 0 0 "[ . 1 . 2]" 1
1713 1 79 TYR QB 1 88 SER QB . . 3.490 2.381 2.097 3.166 . 0 0 "[ . 1 . 2]" 1
1714 1 79 TYR QB 1 88 SER HB3 . . 4.060 2.523 2.172 3.693 . 0 0 "[ . 1 . 2]" 1
1715 1 79 TYR QB 1 89 THR H . . 4.020 3.904 3.747 4.020 0.000 15 0 "[ . 1 . 2]" 1
1716 1 79 TYR QD 1 80 VAL H . . 4.060 3.963 3.617 4.060 0.000 4 0 "[ . 1 . 2]" 1
1717 1 79 TYR QD 1 80 VAL HA . . 5.020 4.082 3.774 4.295 . 0 0 "[ . 1 . 2]" 1
1718 1 79 TYR QD 1 81 THR MG . . 3.570 2.561 2.389 2.754 . 0 0 "[ . 1 . 2]" 1
1719 1 79 TYR QD 1 86 LYS QB . . 4.410 3.279 2.967 3.568 . 0 0 "[ . 1 . 2]" 1
1720 1 79 TYR QD 1 86 LYS HD2 . . 4.740 2.997 2.153 4.356 . 0 0 "[ . 1 . 2]" 1
1721 1 79 TYR QD 1 86 LYS HD3 . . 4.740 4.023 2.345 4.739 . 0 0 "[ . 1 . 2]" 1
1722 1 79 TYR QD 1 86 LYS QE . . 4.580 3.552 1.937 4.410 . 0 0 "[ . 1 . 2]" 1
1723 1 79 TYR QD 1 86 LYS QG . . 4.280 4.106 3.576 4.279 . 0 0 "[ . 1 . 2]" 1
1724 1 79 TYR QD 1 88 SER HA . . 5.500 4.714 4.547 4.900 . 0 0 "[ . 1 . 2]" 1
1725 1 79 TYR QD 1 88 SER QB . . 4.980 4.178 3.880 4.888 . 0 0 "[ . 1 . 2]" 1
1726 1 79 TYR QE 1 81 THR MG . . 3.450 2.528 2.109 2.854 . 0 0 "[ . 1 . 2]" 1
1727 1 79 TYR QE 1 86 LYS QD . . 4.910 3.660 2.846 4.555 . 0 0 "[ . 1 . 2]" 1
1728 1 80 VAL H 1 80 VAL HB . . 3.540 2.926 2.833 3.034 . 0 0 "[ . 1 . 2]" 1
1729 1 80 VAL H 1 80 VAL MG1 . . 3.240 2.119 1.946 2.233 . 0 0 "[ . 1 . 2]" 1
1730 1 80 VAL H 1 80 VAL MG2 . . 4.150 3.851 3.837 3.880 . 0 0 "[ . 1 . 2]" 1
1731 1 80 VAL H 1 81 THR H . . 4.590 4.514 4.468 4.545 . 0 0 "[ . 1 . 2]" 1
1732 1 80 VAL H 1 86 LYS HA . . 5.080 4.951 4.816 5.073 . 0 0 "[ . 1 . 2]" 1
1733 1 80 VAL H 1 86 LYS QB . . 4.730 4.418 4.222 4.650 . 0 0 "[ . 1 . 2]" 1
1734 1 80 VAL H 1 88 SER HA . . 4.130 3.666 3.514 4.068 . 0 0 "[ . 1 . 2]" 1
1735 1 80 VAL HA 1 80 VAL MG2 . . 3.560 2.307 2.181 2.418 . 0 0 "[ . 1 . 2]" 1
1736 1 80 VAL HA 1 81 THR H . . 2.820 2.253 2.197 2.380 . 0 0 "[ . 1 . 2]" 1
1737 1 80 VAL HB 1 81 THR H . . 4.190 4.002 3.811 4.116 . 0 0 "[ . 1 . 2]" 1
1738 1 80 VAL MG1 1 81 THR H . . 3.880 3.701 3.470 3.875 . 0 0 "[ . 1 . 2]" 1
1739 1 80 VAL MG1 1 82 ALA MB . . 4.580 3.920 3.770 4.115 . 0 0 "[ . 1 . 2]" 1
1740 1 80 VAL MG1 1 87 CYS H . . 3.780 2.692 2.379 2.846 . 0 0 "[ . 1 . 2]" 1
1741 1 80 VAL MG1 1 87 CYS QB . . 5.180 3.371 2.541 3.942 . 0 0 "[ . 1 . 2]" 1
1742 1 80 VAL MG2 1 81 THR H . . 3.280 2.095 1.822 2.373 . 0 0 "[ . 1 . 2]" 1
1743 1 81 THR H 1 81 THR MG . . 3.470 2.814 2.529 2.999 . 0 0 "[ . 1 . 2]" 1
1744 1 81 THR HA 1 81 THR MG . . 3.290 2.330 2.244 2.516 . 0 0 "[ . 1 . 2]" 1
1745 1 81 THR HA 1 82 ALA H . . 2.650 2.204 2.166 2.238 . 0 0 "[ . 1 . 2]" 1
1746 1 81 THR HA 1 82 ALA MB . . 4.640 3.913 3.864 3.950 . 0 0 "[ . 1 . 2]" 1
1747 1 81 THR HA 1 85 GLU H . . 5.280 5.170 4.843 5.287 0.007 4 0 "[ . 1 . 2]" 1
1748 1 81 THR HA 1 86 LYS H . . 5.110 4.908 4.654 5.062 . 0 0 "[ . 1 . 2]" 1
1749 1 81 THR HA 1 86 LYS HA . . 3.420 2.540 2.190 2.743 . 0 0 "[ . 1 . 2]" 1
1750 1 81 THR HA 1 86 LYS QB . . 4.260 2.311 2.058 2.563 . 0 0 "[ . 1 . 2]" 1
1751 1 81 THR HA 1 86 LYS QG . . 4.750 4.378 4.095 4.611 . 0 0 "[ . 1 . 2]" 1
1752 1 81 THR HA 1 87 CYS H . . 4.140 3.881 3.689 4.041 . 0 0 "[ . 1 . 2]" 1
1753 1 81 THR HB 1 82 ALA H . . 3.220 2.985 2.847 3.164 . 0 0 "[ . 1 . 2]" 1
1754 1 81 THR MG 1 82 ALA H . . 4.140 3.927 3.837 4.022 . 0 0 "[ . 1 . 2]" 1
1755 1 81 THR MG 1 86 LYS HA . . 3.920 3.702 3.418 3.910 . 0 0 "[ . 1 . 2]" 1
1756 1 81 THR MG 1 86 LYS QB . . 3.350 1.935 1.851 2.108 . 0 0 "[ . 1 . 2]" 1
1757 1 81 THR MG 1 87 CYS H . . 4.430 4.203 3.846 4.393 . 0 0 "[ . 1 . 2]" 1
1758 1 82 ALA H 1 82 ALA MB . . 3.300 2.693 2.560 2.782 . 0 0 "[ . 1 . 2]" 1
1759 1 82 ALA H 1 83 GLY H . . 4.190 3.908 3.810 3.988 . 0 0 "[ . 1 . 2]" 1
1760 1 82 ALA H 1 85 GLU H . . 3.650 3.450 3.345 3.578 . 0 0 "[ . 1 . 2]" 1
1761 1 82 ALA H 1 85 GLU HB2 . . 4.690 4.372 3.973 4.608 . 0 0 "[ . 1 . 2]" 1
1762 1 82 ALA H 1 85 GLU HB3 . . 5.440 5.144 4.795 5.320 . 0 0 "[ . 1 . 2]" 1
1763 1 82 ALA H 1 86 LYS HA . . 3.690 3.307 2.935 3.424 . 0 0 "[ . 1 . 2]" 1
1764 1 82 ALA H 1 86 LYS QB . . 4.550 3.451 3.163 3.694 . 0 0 "[ . 1 . 2]" 1
1765 1 82 ALA H 1 87 CYS H . . 5.360 5.315 5.143 5.361 0.001 14 0 "[ . 1 . 2]" 1
1766 1 82 ALA HA 1 83 GLY H . . 2.740 2.161 2.146 2.202 . 0 0 "[ . 1 . 2]" 1
1767 1 82 ALA HA 1 83 GLY HA2 . . 4.590 4.384 4.378 4.395 . 0 0 "[ . 1 . 2]" 1
1768 1 82 ALA MB 1 83 GLY H . . 3.590 3.378 3.265 3.501 . 0 0 "[ . 1 . 2]" 1
1769 1 82 ALA MB 1 85 GLU H . . 4.380 4.222 4.035 4.347 . 0 0 "[ . 1 . 2]" 1
1770 1 82 ALA MB 1 85 GLU HB2 . . 4.640 4.020 3.623 4.343 . 0 0 "[ . 1 . 2]" 1
1771 1 83 GLY H 1 83 GLY HA2 . . 2.850 2.305 2.298 2.312 . 0 0 "[ . 1 . 2]" 1
1772 1 83 GLY H 1 84 ASP H . . 4.590 4.406 4.327 4.499 . 0 0 "[ . 1 . 2]" 1
1773 1 83 GLY H 1 85 GLU H . . 4.740 4.544 4.335 4.644 . 0 0 "[ . 1 . 2]" 1
1774 1 83 GLY HA2 1 84 ASP H . . 3.480 3.337 3.247 3.403 . 0 0 "[ . 1 . 2]" 1
1775 1 83 GLY HA2 1 85 GLU H . . 4.840 4.586 4.499 4.666 . 0 0 "[ . 1 . 2]" 1
1776 1 83 GLY HA3 1 84 ASP H . . 3.090 2.149 2.136 2.178 . 0 0 "[ . 1 . 2]" 1
1777 1 83 GLY HA3 1 85 GLU H . . 3.790 3.597 3.511 3.752 . 0 0 "[ . 1 . 2]" 1
1778 1 84 ASP H 1 84 ASP HB2 . . 4.000 2.833 2.442 3.805 . 0 0 "[ . 1 . 2]" 1
1779 1 84 ASP H 1 84 ASP QB . . 3.370 2.619 2.408 3.092 . 0 0 "[ . 1 . 2]" 1
1780 1 84 ASP H 1 84 ASP HB3 . . 4.000 3.427 2.666 3.803 . 0 0 "[ . 1 . 2]" 1
1781 1 84 ASP H 1 85 GLU H . . 3.040 2.341 2.080 2.716 . 0 0 "[ . 1 . 2]" 1
1782 1 84 ASP H 1 85 GLU HB2 . . 4.620 4.011 3.872 4.196 . 0 0 "[ . 1 . 2]" 1
1783 1 84 ASP H 1 85 GLU QG . . 4.670 3.527 3.392 3.682 . 0 0 "[ . 1 . 2]" 1
1784 1 84 ASP QB 1 85 GLU H . . 3.920 3.699 3.530 3.929 0.009 12 0 "[ . 1 . 2]" 1
1785 1 84 ASP HB2 1 85 GLU H . . 4.750 4.104 3.729 4.530 . 0 0 "[ . 1 . 2]" 1
1786 1 84 ASP HB3 1 85 GLU H . . 4.750 4.306 3.772 4.636 . 0 0 "[ . 1 . 2]" 1
1787 1 85 GLU H 1 85 GLU HB2 . . 3.090 2.680 2.570 2.840 . 0 0 "[ . 1 . 2]" 1
1788 1 85 GLU H 1 85 GLU QG . . 3.260 3.129 2.904 3.245 . 0 0 "[ . 1 . 2]" 1
1789 1 85 GLU H 1 86 LYS H . . 4.510 4.446 4.400 4.494 . 0 0 "[ . 1 . 2]" 1
1790 1 85 GLU HB2 1 86 LYS H . . 3.840 3.698 3.481 3.826 . 0 0 "[ . 1 . 2]" 1
1791 1 85 GLU HB3 1 86 LYS H . . 3.080 2.454 2.172 2.587 . 0 0 "[ . 1 . 2]" 1
1792 1 85 GLU QG 1 86 LYS H . . 4.290 4.194 3.831 4.293 0.003 6 0 "[ . 1 . 2]" 1
1793 1 86 LYS H 1 86 LYS QB . . 3.320 3.131 3.062 3.190 . 0 0 "[ . 1 . 2]" 1
1794 1 86 LYS H 1 86 LYS QG . . 3.570 2.861 2.746 2.966 . 0 0 "[ . 1 . 2]" 1
1795 1 86 LYS H 1 87 CYS H . . 4.410 4.303 4.237 4.369 . 0 0 "[ . 1 . 2]" 1
1796 1 86 LYS HA 1 86 LYS QG . . 3.760 3.319 3.276 3.425 . 0 0 "[ . 1 . 2]" 1
1797 1 86 LYS HA 1 87 CYS H . . 2.730 2.304 2.215 2.456 . 0 0 "[ . 1 . 2]" 1
1798 1 86 LYS QB 1 86 LYS HD2 . . 3.640 2.376 2.159 3.287 . 0 0 "[ . 1 . 2]" 1
1799 1 86 LYS QB 1 86 LYS HD3 . . 3.640 2.558 2.072 3.266 . 0 0 "[ . 1 . 2]" 1
1800 1 86 LYS QB 1 86 LYS HE2 . . 4.280 3.854 2.134 4.256 . 0 0 "[ . 1 . 2]" 1
1801 1 86 LYS QB 1 86 LYS HE3 . . 4.280 3.773 2.118 4.250 . 0 0 "[ . 1 . 2]" 1
1802 1 86 LYS QB 1 87 CYS H . . 3.370 2.757 2.400 3.004 . 0 0 "[ . 1 . 2]" 1
1803 1 86 LYS HE2 1 86 LYS QG . . 3.910 2.630 2.206 3.481 . 0 0 "[ . 1 . 2]" 1
1804 1 86 LYS HE3 1 86 LYS QG . . 3.910 2.714 2.128 3.436 . 0 0 "[ . 1 . 2]" 1
1805 1 86 LYS QG 1 87 CYS H . . 3.520 3.387 3.175 3.548 0.028 14 0 "[ . 1 . 2]" 1
1806 1 86 LYS QG 1 88 SER H . . 5.450 5.261 4.990 5.450 . 0 0 "[ . 1 . 2]" 1
1807 1 87 CYS H 1 87 CYS QB . . 3.690 2.800 2.554 3.118 . 0 0 "[ . 1 . 2]" 1
1808 1 87 CYS H 1 88 SER H . . 4.440 4.423 4.261 4.461 0.021 17 0 "[ . 1 . 2]" 1
1809 1 87 CYS HA 1 88 SER H . . 2.670 2.472 2.187 2.654 . 0 0 "[ . 1 . 2]" 1
1810 1 87 CYS QB 1 88 SER H . . 3.070 2.595 2.070 3.051 . 0 0 "[ . 1 . 2]" 1
1811 1 88 SER H 1 88 SER HB2 . . 4.010 3.614 2.614 3.938 . 0 0 "[ . 1 . 2]" 1
1812 1 88 SER H 1 88 SER QB . . 3.390 3.053 2.568 3.338 . 0 0 "[ . 1 . 2]" 1
1813 1 88 SER H 1 88 SER HB3 . . 4.010 3.436 2.892 3.938 . 0 0 "[ . 1 . 2]" 1
1814 1 88 SER H 1 89 THR H . . 4.520 4.403 4.241 4.511 . 0 0 "[ . 1 . 2]" 1
1815 1 88 SER HA 1 89 THR H . . 3.060 2.334 2.225 2.468 . 0 0 "[ . 1 . 2]" 1
1816 1 88 SER QB 1 89 THR H . . 3.100 2.615 2.323 3.100 . 0 0 "[ . 1 . 2]" 1
1817 1 88 SER HB2 1 89 THR H . . 3.900 2.910 2.481 3.825 . 0 0 "[ . 1 . 2]" 1
1818 1 88 SER HB3 1 89 THR H . . 3.900 3.555 2.361 3.901 0.001 20 0 "[ . 1 . 2]" 1
1819 1 89 THR H 1 89 THR HB . . 4.020 3.344 3.214 3.496 . 0 0 "[ . 1 . 2]" 1
1820 1 89 THR H 1 89 THR MG . . 3.200 2.280 1.996 2.449 . 0 0 "[ . 1 . 2]" 1
1821 1 89 THR H 1 90 GLU H . . 4.750 4.416 4.398 4.440 . 0 0 "[ . 1 . 2]" 1
1822 1 89 THR HA 1 90 GLU H . . 2.930 2.438 2.330 2.523 . 0 0 "[ . 1 . 2]" 1
1823 1 89 THR HB 1 90 GLU H . . 3.890 3.707 3.592 3.888 . 0 0 "[ . 1 . 2]" 1
1824 1 89 THR HG1 1 90 GLU H . . 3.410 2.240 1.946 2.623 . 0 0 "[ . 1 . 2]" 1
1825 1 89 THR MG 1 90 GLU H . . 3.600 3.386 3.127 3.583 . 0 0 "[ . 1 . 2]" 1
1826 1 89 THR MG 1 90 GLU HA . . 4.710 3.877 3.576 4.131 . 0 0 "[ . 1 . 2]" 1
1827 1 89 THR MG 1 91 LEU H . . 4.840 4.488 4.210 4.746 . 0 0 "[ . 1 . 2]" 1
1828 1 90 GLU H 1 90 GLU HB2 . . 3.760 2.511 2.376 2.779 . 0 0 "[ . 1 . 2]" 1
1829 1 90 GLU H 1 90 GLU QB . . 3.190 2.448 2.342 2.566 . 0 0 "[ . 1 . 2]" 1
1830 1 90 GLU H 1 90 GLU HB3 . . 3.760 3.542 2.893 3.761 0.001 3 0 "[ . 1 . 2]" 1
1831 1 90 GLU H 1 90 GLU QG . . 4.090 3.504 2.927 4.126 0.036 20 0 "[ . 1 . 2]" 1
1832 1 90 GLU H 1 91 LEU H . . 4.530 4.380 4.284 4.489 . 0 0 "[ . 1 . 2]" 1
1833 1 90 GLU HA 1 91 LEU H . . 2.760 2.165 2.143 2.214 . 0 0 "[ . 1 . 2]" 1
1834 1 90 GLU QB 1 91 LEU H . . 3.620 3.243 3.073 3.520 . 0 0 "[ . 1 . 2]" 1
1835 1 90 GLU QB 1 92 PHE HZ . . 4.360 3.551 2.954 4.247 . 0 0 "[ . 1 . 2]" 1
1836 1 90 GLU HB2 1 91 LEU H . . 4.430 4.310 4.248 4.385 . 0 0 "[ . 1 . 2]" 1
1837 1 90 GLU HB2 1 92 PHE QE . . 4.450 3.406 3.027 4.244 . 0 0 "[ . 1 . 2]" 1
1838 1 90 GLU HB3 1 91 LEU H . . 4.430 3.358 3.150 3.735 . 0 0 "[ . 1 . 2]" 1
1839 1 90 GLU HB3 1 92 PHE QE . . 4.450 3.131 2.704 3.461 . 0 0 "[ . 1 . 2]" 1
1840 1 90 GLU QG 1 91 LEU H . . 4.090 3.781 2.583 4.109 0.019 17 0 "[ . 1 . 2]" 1
1841 1 91 LEU H 1 91 LEU HB2 . . 3.410 2.792 2.677 2.972 . 0 0 "[ . 1 . 2]" 1
1842 1 91 LEU H 1 91 LEU HB3 . . 3.310 2.535 2.356 2.650 . 0 0 "[ . 1 . 2]" 1
1843 1 91 LEU H 1 91 LEU MD1 . . 4.110 3.957 3.706 4.111 0.001 7 0 "[ . 1 . 2]" 1
1844 1 91 LEU H 1 92 PHE H . . 4.670 4.452 4.333 4.517 . 0 0 "[ . 1 . 2]" 1
1845 1 91 LEU HA 1 91 LEU MD2 . . 3.240 1.987 1.935 2.083 . 0 0 "[ . 1 . 2]" 1
1846 1 91 LEU HA 1 91 LEU HG . . 4.260 3.738 3.674 3.802 . 0 0 "[ . 1 . 2]" 1
1847 1 91 LEU HA 1 92 PHE H . . 2.700 2.156 2.140 2.183 . 0 0 "[ . 1 . 2]" 1
1848 1 91 LEU HA 1 92 PHE QB . . 4.690 4.257 4.208 4.320 . 0 0 "[ . 1 . 2]" 1
1849 1 91 LEU HB2 1 92 PHE H . . 4.330 4.238 4.138 4.311 . 0 0 "[ . 1 . 2]" 1
1850 1 91 LEU HB3 1 92 PHE H . . 4.440 4.138 3.979 4.306 . 0 0 "[ . 1 . 2]" 1
1851 1 91 LEU MD1 1 92 PHE HA . . 4.600 2.978 2.855 3.276 . 0 0 "[ . 1 . 2]" 1
1852 1 91 LEU MD1 1 93 VAL H . . 4.390 2.393 2.140 2.477 . 0 0 "[ . 1 . 2]" 1
1853 1 91 LEU MD1 1 93 VAL HA . . 4.290 3.206 3.088 3.370 . 0 0 "[ . 1 . 2]" 1
1854 1 91 LEU MD1 1 93 VAL HB . . 4.830 2.235 2.034 2.385 . 0 0 "[ . 1 . 2]" 1
1855 1 91 LEU MD2 1 92 PHE H . . 3.200 2.311 1.880 2.783 . 0 0 "[ . 1 . 2]" 1
1856 1 91 LEU MD2 1 92 PHE QB . . 4.640 4.182 3.791 4.477 . 0 0 "[ . 1 . 2]" 1
1857 1 91 LEU MD2 1 93 VAL HA . . 4.690 4.190 3.519 4.386 . 0 0 "[ . 1 . 2]" 1
1858 1 91 LEU HG 1 92 PHE H . . 4.690 4.532 4.354 4.690 . 0 0 "[ . 1 . 2]" 1
1859 1 91 LEU HG 1 93 VAL H . . 5.270 5.244 5.101 5.302 0.032 7 0 "[ . 1 . 2]" 1
1860 1 91 LEU HG 1 93 VAL MG1 . . 4.440 4.423 4.333 4.446 0.006 7 0 "[ . 1 . 2]" 1
1861 1 92 PHE H 1 92 PHE QB . . 3.090 2.488 2.379 2.590 . 0 0 "[ . 1 . 2]" 1
1862 1 92 PHE H 1 92 PHE QD . . 3.850 3.431 3.200 3.724 . 0 0 "[ . 1 . 2]" 1
1863 1 92 PHE H 1 93 VAL H . . 4.610 3.924 3.827 4.016 . 0 0 "[ . 1 . 2]" 1
1864 1 92 PHE H 1 93 VAL MG1 . . 5.500 4.986 4.829 5.212 . 0 0 "[ . 1 . 2]" 1
1865 1 92 PHE HA 1 92 PHE QD . . 4.140 2.474 2.204 2.760 . 0 0 "[ . 1 . 2]" 1
1866 1 92 PHE HA 1 93 VAL H . . 2.720 2.215 2.191 2.232 . 0 0 "[ . 1 . 2]" 1
1867 1 92 PHE HA 1 93 VAL HB . . 5.030 4.966 4.861 5.032 0.002 20 0 "[ . 1 . 2]" 1
1868 1 92 PHE HA 1 93 VAL MG1 . . 4.350 3.702 3.615 3.802 . 0 0 "[ . 1 . 2]" 1
1869 1 92 PHE QB 1 93 VAL H . . 3.740 3.711 3.659 3.745 0.005 7 0 "[ . 1 . 2]" 1
1870 1 92 PHE QD 1 93 VAL H . . 4.370 4.214 4.046 4.353 . 0 0 "[ . 1 . 2]" 1
1871 1 93 VAL H 1 93 VAL HB . . 3.170 2.987 2.912 3.050 . 0 0 "[ . 1 . 2]" 1
1872 1 93 VAL H 1 93 VAL MG1 . . 3.280 1.928 1.852 1.994 . 0 0 "[ . 1 . 2]" 1
1873 1 93 VAL H 1 93 VAL MG2 . . 4.050 3.754 3.713 3.802 . 0 0 "[ . 1 . 2]" 1
1874 1 93 VAL H 1 94 ARG H . . 4.570 4.364 4.280 4.437 . 0 0 "[ . 1 . 2]" 1
1875 1 93 VAL HA 1 94 ARG H . . 2.680 2.145 2.141 2.156 . 0 0 "[ . 1 . 2]" 1
1876 1 93 VAL HA 1 94 ARG HA . . 4.700 4.401 4.382 4.424 . 0 0 "[ . 1 . 2]" 1
1877 1 93 VAL MG1 1 94 ARG H . . 4.460 4.196 4.105 4.254 . 0 0 "[ . 1 . 2]" 1
1878 1 93 VAL MG2 1 94 ARG H . . 3.350 2.803 2.546 2.950 . 0 0 "[ . 1 . 2]" 1
1879 1 93 VAL MG2 1 94 ARG HA . . 5.000 4.046 3.854 4.221 . 0 0 "[ . 1 . 2]" 1
1880 1 93 VAL MG2 1 95 SER HA . . 5.450 4.100 2.396 4.507 . 0 0 "[ . 1 . 2]" 1
1881 1 94 ARG H 1 94 ARG HB2 . . 3.920 2.576 2.475 2.683 . 0 0 "[ . 1 . 2]" 1
1882 1 94 ARG H 1 94 ARG QB . . 3.070 2.523 2.434 2.614 . 0 0 "[ . 1 . 2]" 1
1883 1 94 ARG H 1 94 ARG HB3 . . 3.920 3.605 3.586 3.649 . 0 0 "[ . 1 . 2]" 1
1884 1 94 ARG H 1 94 ARG QD . . 4.510 3.747 3.237 4.199 . 0 0 "[ . 1 . 2]" 1
1885 1 94 ARG H 1 94 ARG QG . . 3.340 2.102 1.902 2.359 . 0 0 "[ . 1 . 2]" 1
1886 1 94 ARG H 1 95 SER H . . 5.500 4.494 2.745 4.642 . 0 0 "[ . 1 . 2]" 1
1887 1 94 ARG HA 1 94 ARG QD . . 4.370 3.815 2.128 4.297 . 0 0 "[ . 1 . 2]" 1
1888 1 94 ARG HA 1 94 ARG QG . . 3.770 2.597 2.400 3.037 . 0 0 "[ . 1 . 2]" 1
1889 1 94 ARG HA 1 95 SER H . . 3.370 2.505 2.215 3.392 0.022 8 0 "[ . 1 . 2]" 1
1890 1 94 ARG QB 1 94 ARG QD . . 3.320 2.294 2.057 2.607 . 0 0 "[ . 1 . 2]" 1
1891 1 94 ARG QB 1 95 SER H . . 4.340 2.368 2.030 3.104 . 0 0 "[ . 1 . 2]" 1
1892 1 94 ARG QB 1 96 GLY H . . 5.140 4.146 2.677 4.835 . 0 0 "[ . 1 . 2]" 1
1893 1 94 ARG QG 1 95 SER H . . 4.900 4.049 3.807 4.280 . 0 0 "[ . 1 . 2]" 1
1894 1 95 SER QB 1 96 GLY H . . 4.710 3.567 1.908 4.053 . 0 0 "[ . 1 . 2]" 1
1895 1 96 GLY HA2 1 97 PRO QD . . 3.210 2.204 1.883 3.280 0.070 11 0 "[ . 1 . 2]" 1
1896 1 96 GLY HA3 1 97 PRO QD . . 3.210 2.520 1.897 3.022 . 0 0 "[ . 1 . 2]" 1
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