NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
420559 |
2elk   |
10150 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2elk
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 1311
_Distance_constraint_stats_list.Viol_count 709
_Distance_constraint_stats_list.Viol_total 113.540
_Distance_constraint_stats_list.Viol_max 0.081
_Distance_constraint_stats_list.Viol_rms 0.0023
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0080
_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 PHE 0.060 0.031 8 0 "[ . 1 . 2]"
1 9 ASP 0.081 0.031 8 0 "[ . 1 . 2]"
1 10 GLU 0.142 0.018 8 0 "[ . 1 . 2]"
1 11 ASN 0.068 0.018 8 0 "[ . 1 . 2]"
1 12 TRP 0.414 0.022 15 0 "[ . 1 . 2]"
1 13 GLY 0.074 0.010 6 0 "[ . 1 . 2]"
1 14 ALA 0.141 0.030 8 0 "[ . 1 . 2]"
1 15 ASP 0.090 0.017 19 0 "[ . 1 . 2]"
1 16 GLU 0.237 0.036 14 0 "[ . 1 . 2]"
1 17 GLU 1.295 0.073 15 0 "[ . 1 . 2]"
1 18 LEU 1.302 0.073 15 0 "[ . 1 . 2]"
1 19 LEU 0.229 0.021 16 0 "[ . 1 . 2]"
1 20 LEU 0.067 0.020 14 0 "[ . 1 . 2]"
1 21 ILE 0.488 0.081 14 0 "[ . 1 . 2]"
1 22 ASP 0.425 0.032 19 0 "[ . 1 . 2]"
1 23 ALA 0.049 0.006 8 0 "[ . 1 . 2]"
1 24 CYS 0.215 0.045 20 0 "[ . 1 . 2]"
1 25 GLU 0.908 0.079 19 0 "[ . 1 . 2]"
1 26 THR 0.988 0.079 19 0 "[ . 1 . 2]"
1 27 LEU 0.027 0.006 20 0 "[ . 1 . 2]"
1 28 GLY 0.060 0.024 19 0 "[ . 1 . 2]"
1 29 LEU 0.165 0.024 19 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ASN 0.046 0.046 17 0 "[ . 1 . 2]"
1 32 TRP 0.239 0.035 9 0 "[ . 1 . 2]"
1 33 ALA 0.094 0.021 7 0 "[ . 1 . 2]"
1 34 ASP 0.080 0.021 7 0 "[ . 1 . 2]"
1 35 ILE 0.063 0.008 18 0 "[ . 1 . 2]"
1 36 ALA 0.029 0.007 2 0 "[ . 1 . 2]"
1 37 ASP 0.030 0.006 9 0 "[ . 1 . 2]"
1 38 TYR 0.042 0.011 16 0 "[ . 1 . 2]"
1 39 VAL 0.044 0.007 2 0 "[ . 1 . 2]"
1 40 GLY 0.151 0.029 18 0 "[ . 1 . 2]"
1 41 ASN 0.108 0.029 18 0 "[ . 1 . 2]"
1 42 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ARG 0.126 0.012 11 0 "[ . 1 . 2]"
1 44 THR 0.046 0.010 7 0 "[ . 1 . 2]"
1 45 LYS 0.145 0.035 9 0 "[ . 1 . 2]"
1 46 GLU 0.110 0.016 17 0 "[ . 1 . 2]"
1 47 GLU 0.055 0.013 7 0 "[ . 1 . 2]"
1 48 CYS 0.262 0.020 16 0 "[ . 1 . 2]"
1 49 ARG 0.595 0.024 19 0 "[ . 1 . 2]"
1 50 ASP 0.058 0.010 17 0 "[ . 1 . 2]"
1 51 HIS 0.640 0.053 17 0 "[ . 1 . 2]"
1 52 TYR 0.113 0.020 16 0 "[ . 1 . 2]"
1 53 LEU 0.041 0.007 16 0 "[ . 1 . 2]"
1 54 LYS 0.108 0.053 17 0 "[ . 1 . 2]"
1 55 THR 0.018 0.005 12 0 "[ . 1 . 2]"
1 56 TYR 0.017 0.010 16 0 "[ . 1 . 2]"
1 57 ILE 0.035 0.020 17 0 "[ . 1 . 2]"
1 58 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 GLY HA2 1 8 PHE QD . . 5.500 4.160 3.060 5.361 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY HA3 1 8 PHE QD . . 5.500 4.292 3.065 5.072 . 0 0 "[ . 1 . 2]" 1
3 1 8 PHE H 1 8 PHE HB2 . . 3.990 2.975 2.331 3.988 . 0 0 "[ . 1 . 2]" 1
4 1 8 PHE H 1 8 PHE QB . . 3.330 2.700 2.302 3.150 . 0 0 "[ . 1 . 2]" 1
5 1 8 PHE H 1 8 PHE HB3 . . 3.990 3.524 2.445 3.996 0.006 13 0 "[ . 1 . 2]" 1
6 1 8 PHE H 1 8 PHE QD . . 4.540 2.684 1.917 4.253 . 0 0 "[ . 1 . 2]" 1
7 1 8 PHE H 1 9 ASP H . . 4.330 3.578 2.034 4.361 0.031 8 0 "[ . 1 . 2]" 1
8 1 8 PHE HA 1 8 PHE QD . . 4.260 3.062 2.302 3.725 . 0 0 "[ . 1 . 2]" 1
9 1 8 PHE HA 1 9 ASP H . . 3.500 2.570 2.138 3.507 0.007 20 0 "[ . 1 . 2]" 1
10 1 8 PHE QB 1 9 ASP H . . 3.910 3.413 2.131 3.889 . 0 0 "[ . 1 . 2]" 1
11 1 8 PHE HB2 1 9 ASP H . . 4.610 3.914 2.762 4.550 . 0 0 "[ . 1 . 2]" 1
12 1 8 PHE HB3 1 9 ASP H . . 4.610 3.983 2.145 4.531 . 0 0 "[ . 1 . 2]" 1
13 1 8 PHE QD 1 9 ASP H . . 5.160 4.364 2.732 4.963 . 0 0 "[ . 1 . 2]" 1
14 1 9 ASP H 1 9 ASP HB2 . . 4.040 2.870 2.192 3.759 . 0 0 "[ . 1 . 2]" 1
15 1 9 ASP H 1 9 ASP HB3 . . 4.040 3.342 2.271 3.905 . 0 0 "[ . 1 . 2]" 1
16 1 9 ASP HA 1 10 GLU H . . 3.520 2.445 2.140 3.534 0.014 20 0 "[ . 1 . 2]" 1
17 1 9 ASP HA 1 11 ASN H . . 4.820 3.978 3.171 4.819 . 0 0 "[ . 1 . 2]" 1
18 1 9 ASP QB 1 10 GLU H . . 4.210 3.348 2.294 4.032 . 0 0 "[ . 1 . 2]" 1
19 1 10 GLU H 1 10 GLU HB2 . . 3.860 3.132 2.405 3.875 0.015 17 0 "[ . 1 . 2]" 1
20 1 10 GLU H 1 10 GLU QB . . 3.240 2.623 2.264 3.257 0.017 15 0 "[ . 1 . 2]" 1
21 1 10 GLU H 1 10 GLU HB3 . . 3.860 3.095 2.481 3.874 0.014 13 0 "[ . 1 . 2]" 1
22 1 10 GLU H 1 10 GLU HG2 . . 5.490 3.495 1.901 4.940 . 0 0 "[ . 1 . 2]" 1
23 1 10 GLU H 1 10 GLU QG . . 4.610 3.017 1.891 4.137 . 0 0 "[ . 1 . 2]" 1
24 1 10 GLU H 1 10 GLU HG3 . . 5.490 3.673 2.062 4.660 . 0 0 "[ . 1 . 2]" 1
25 1 10 GLU HA 1 10 GLU QG . . 3.710 2.804 2.196 3.524 . 0 0 "[ . 1 . 2]" 1
26 1 10 GLU HA 1 11 ASN H . . 3.290 2.763 2.266 3.289 . 0 0 "[ . 1 . 2]" 1
27 1 10 GLU HB2 1 11 ASN H . . 4.590 4.377 3.487 4.601 0.011 7 0 "[ . 1 . 2]" 1
28 1 10 GLU HB3 1 11 ASN H . . 4.590 4.416 4.122 4.608 0.018 8 0 "[ . 1 . 2]" 1
29 1 10 GLU HG2 1 11 ASN H . . 5.500 4.655 3.778 5.441 . 0 0 "[ . 1 . 2]" 1
30 1 10 GLU HG3 1 11 ASN H . . 5.500 4.915 3.953 5.499 . 0 0 "[ . 1 . 2]" 1
31 1 11 ASN H 1 11 ASN QB . . 3.230 2.662 2.200 3.231 0.001 12 0 "[ . 1 . 2]" 1
32 1 11 ASN H 1 11 ASN QD . . 4.520 3.893 1.812 4.520 0.000 9 0 "[ . 1 . 2]" 1
33 1 11 ASN H 1 12 TRP H . . 4.340 3.629 2.282 4.344 0.004 18 0 "[ . 1 . 2]" 1
34 1 11 ASN H 1 12 TRP HD1 . . 4.870 4.285 3.036 4.881 0.011 18 0 "[ . 1 . 2]" 1
35 1 11 ASN QB 1 11 ASN HD22 . . 3.740 3.259 3.213 3.388 . 0 0 "[ . 1 . 2]" 1
36 1 11 ASN QB 1 12 TRP H . . 4.380 3.274 2.100 4.038 . 0 0 "[ . 1 . 2]" 1
37 1 12 TRP H 1 12 TRP HB2 . . 3.220 2.287 2.217 2.426 . 0 0 "[ . 1 . 2]" 1
38 1 12 TRP H 1 12 TRP HB3 . . 3.640 3.553 3.516 3.640 0.000 15 0 "[ . 1 . 2]" 1
39 1 12 TRP H 1 12 TRP HD1 . . 3.550 2.590 2.148 2.992 . 0 0 "[ . 1 . 2]" 1
40 1 12 TRP H 1 12 TRP HE1 . . 5.500 5.106 4.626 5.503 0.003 15 0 "[ . 1 . 2]" 1
41 1 12 TRP H 1 13 GLY H . . 5.000 4.550 4.436 4.645 . 0 0 "[ . 1 . 2]" 1
42 1 12 TRP H 1 51 HIS HE1 . . 4.390 3.541 3.148 4.102 . 0 0 "[ . 1 . 2]" 1
43 1 12 TRP HA 1 12 TRP HD1 . . 3.950 2.898 2.751 2.951 . 0 0 "[ . 1 . 2]" 1
44 1 12 TRP HA 1 12 TRP HE1 . . 4.930 4.785 4.752 4.818 . 0 0 "[ . 1 . 2]" 1
45 1 12 TRP HA 1 12 TRP HE3 . . 4.700 4.547 4.470 4.696 . 0 0 "[ . 1 . 2]" 1
46 1 12 TRP HA 1 13 GLY H . . 2.850 2.494 2.226 2.662 . 0 0 "[ . 1 . 2]" 1
47 1 12 TRP HA 1 43 ARG HE . . 5.220 4.489 4.203 4.968 . 0 0 "[ . 1 . 2]" 1
48 1 12 TRP HA 1 43 ARG QH2 . . 4.160 3.263 2.858 3.693 . 0 0 "[ . 1 . 2]" 1
49 1 12 TRP HB2 1 12 TRP HE3 . . 3.890 3.613 3.492 3.680 . 0 0 "[ . 1 . 2]" 1
50 1 12 TRP HB2 1 13 GLY H . . 4.170 3.683 3.349 4.177 0.007 2 0 "[ . 1 . 2]" 1
51 1 12 TRP HB2 1 16 GLU QG . . 4.240 3.707 3.485 3.871 . 0 0 "[ . 1 . 2]" 1
52 1 12 TRP HB2 1 17 GLU H . . 5.500 5.495 5.424 5.522 0.022 15 0 "[ . 1 . 2]" 1
53 1 12 TRP HB2 1 17 GLU HG2 . . 4.930 2.741 2.432 3.529 . 0 0 "[ . 1 . 2]" 1
54 1 12 TRP HB2 1 17 GLU HG3 . . 4.930 3.055 2.748 3.502 . 0 0 "[ . 1 . 2]" 1
55 1 12 TRP HB2 1 51 HIS HE1 . . 4.500 2.621 2.218 3.220 . 0 0 "[ . 1 . 2]" 1
56 1 12 TRP HB3 1 12 TRP HE3 . . 3.440 2.447 2.422 2.505 . 0 0 "[ . 1 . 2]" 1
57 1 12 TRP HB3 1 12 TRP HZ3 . . 5.070 4.858 4.839 4.903 . 0 0 "[ . 1 . 2]" 1
58 1 12 TRP HB3 1 13 GLY H . . 3.790 2.313 1.918 2.995 . 0 0 "[ . 1 . 2]" 1
59 1 12 TRP HB3 1 16 GLU HB3 . . 5.120 4.983 4.345 5.128 0.008 19 0 "[ . 1 . 2]" 1
60 1 12 TRP HB3 1 16 GLU QG . . 3.970 2.123 1.970 2.314 . 0 0 "[ . 1 . 2]" 1
61 1 12 TRP HB3 1 17 GLU H . . 4.370 4.099 3.865 4.275 . 0 0 "[ . 1 . 2]" 1
62 1 12 TRP HB3 1 17 GLU HG2 . . 4.700 2.440 1.990 3.641 . 0 0 "[ . 1 . 2]" 1
63 1 12 TRP HB3 1 17 GLU HG3 . . 4.600 2.541 1.994 3.571 . 0 0 "[ . 1 . 2]" 1
64 1 12 TRP HB3 1 51 HIS HE1 . . 5.130 3.863 3.502 4.490 . 0 0 "[ . 1 . 2]" 1
65 1 12 TRP HD1 1 13 GLY H . . 5.090 5.074 4.954 5.100 0.010 18 0 "[ . 1 . 2]" 1
66 1 12 TRP HD1 1 51 HIS HE1 . . 4.830 3.039 2.589 3.863 . 0 0 "[ . 1 . 2]" 1
67 1 12 TRP HE1 1 43 ARG HD2 . . 4.600 3.345 2.773 3.739 . 0 0 "[ . 1 . 2]" 1
68 1 12 TRP HE1 1 43 ARG HD3 . . 5.250 4.728 4.244 5.101 . 0 0 "[ . 1 . 2]" 1
69 1 12 TRP HE1 1 43 ARG QH1 . . 4.790 3.514 2.851 4.186 . 0 0 "[ . 1 . 2]" 1
70 1 12 TRP HE1 1 43 ARG QH2 . . 5.500 4.135 3.821 4.511 . 0 0 "[ . 1 . 2]" 1
71 1 12 TRP HE1 1 47 GLU HB3 . . 5.060 4.732 4.280 5.014 . 0 0 "[ . 1 . 2]" 1
72 1 12 TRP HE1 1 51 HIS HB2 . . 4.050 3.210 3.061 3.506 . 0 0 "[ . 1 . 2]" 1
73 1 12 TRP HE1 1 51 HIS HB3 . . 4.510 4.516 4.500 4.523 0.013 2 0 "[ . 1 . 2]" 1
74 1 12 TRP HE3 1 13 GLY H . . 4.890 3.958 3.398 4.754 . 0 0 "[ . 1 . 2]" 1
75 1 12 TRP HE3 1 16 GLU HB2 . . 3.910 2.696 2.056 3.004 . 0 0 "[ . 1 . 2]" 1
76 1 12 TRP HE3 1 16 GLU HB3 . . 4.420 4.134 3.734 4.424 0.004 14 0 "[ . 1 . 2]" 1
77 1 12 TRP HE3 1 16 GLU QG . . 3.550 2.117 1.947 2.840 . 0 0 "[ . 1 . 2]" 1
78 1 12 TRP HE3 1 17 GLU H . . 3.990 3.742 3.453 4.006 0.016 18 0 "[ . 1 . 2]" 1
79 1 12 TRP HE3 1 17 GLU HA . . 3.960 2.795 2.310 3.155 . 0 0 "[ . 1 . 2]" 1
80 1 12 TRP HE3 1 17 GLU HG2 . . 4.620 2.982 2.650 3.696 . 0 0 "[ . 1 . 2]" 1
81 1 12 TRP HE3 1 17 GLU HG3 . . 4.910 3.796 2.973 4.867 . 0 0 "[ . 1 . 2]" 1
82 1 12 TRP HE3 1 20 LEU HB2 . . 4.980 4.063 3.786 4.337 . 0 0 "[ . 1 . 2]" 1
83 1 12 TRP HE3 1 20 LEU HB3 . . 5.500 4.808 4.503 5.027 . 0 0 "[ . 1 . 2]" 1
84 1 12 TRP HE3 1 20 LEU QD . . 4.750 3.652 3.414 3.849 . 0 0 "[ . 1 . 2]" 1
85 1 12 TRP HE3 1 39 VAL MG1 . . 5.170 3.841 3.625 4.018 . 0 0 "[ . 1 . 2]" 1
86 1 12 TRP HH2 1 20 LEU HB2 . . 4.980 4.294 4.166 4.460 . 0 0 "[ . 1 . 2]" 1
87 1 12 TRP HH2 1 20 LEU MD1 . . 4.490 3.438 3.127 3.879 . 0 0 "[ . 1 . 2]" 1
88 1 12 TRP HH2 1 20 LEU QD . . 3.810 3.178 2.866 3.494 . 0 0 "[ . 1 . 2]" 1
89 1 12 TRP HH2 1 20 LEU MD2 . . 4.490 3.758 3.330 4.064 . 0 0 "[ . 1 . 2]" 1
90 1 12 TRP HH2 1 39 VAL HB . . 5.280 4.334 3.960 4.684 . 0 0 "[ . 1 . 2]" 1
91 1 12 TRP HH2 1 39 VAL MG1 . . 3.790 2.636 2.337 3.080 . 0 0 "[ . 1 . 2]" 1
92 1 12 TRP HH2 1 39 VAL MG2 . . 4.510 3.887 3.462 4.280 . 0 0 "[ . 1 . 2]" 1
93 1 12 TRP HH2 1 43 ARG HB2 . . 5.210 3.689 3.431 3.968 . 0 0 "[ . 1 . 2]" 1
94 1 12 TRP HH2 1 43 ARG HB3 . . 4.550 3.163 2.882 3.540 . 0 0 "[ . 1 . 2]" 1
95 1 12 TRP HH2 1 43 ARG HD2 . . 5.000 3.608 3.196 3.973 . 0 0 "[ . 1 . 2]" 1
96 1 12 TRP HH2 1 43 ARG HG3 . . 4.890 2.924 2.601 3.360 . 0 0 "[ . 1 . 2]" 1
97 1 12 TRP HH2 1 47 GLU HB2 . . 5.500 5.169 4.410 5.500 0.000 14 0 "[ . 1 . 2]" 1
98 1 12 TRP HH2 1 47 GLU HB3 . . 5.500 4.838 4.430 5.115 . 0 0 "[ . 1 . 2]" 1
99 1 12 TRP HH2 1 48 CYS H . . 5.270 4.015 3.786 4.204 . 0 0 "[ . 1 . 2]" 1
100 1 12 TRP HH2 1 48 CYS HA . . 3.440 2.340 1.998 2.625 . 0 0 "[ . 1 . 2]" 1
101 1 12 TRP HH2 1 48 CYS HB3 . . 4.950 3.480 2.852 3.960 . 0 0 "[ . 1 . 2]" 1
102 1 12 TRP HH2 1 51 HIS HB2 . . 5.500 4.515 4.103 4.896 . 0 0 "[ . 1 . 2]" 1
103 1 12 TRP HH2 1 51 HIS HB3 . . 4.890 3.820 3.437 4.134 . 0 0 "[ . 1 . 2]" 1
104 1 12 TRP HZ2 1 20 LEU QD . . 5.130 4.384 4.146 4.614 . 0 0 "[ . 1 . 2]" 1
105 1 12 TRP HZ2 1 39 VAL MG1 . . 5.450 4.586 4.131 4.920 . 0 0 "[ . 1 . 2]" 1
106 1 12 TRP HZ2 1 43 ARG HB3 . . 4.650 3.292 2.862 3.611 . 0 0 "[ . 1 . 2]" 1
107 1 12 TRP HZ2 1 43 ARG HD2 . . 4.040 2.255 2.008 2.549 . 0 0 "[ . 1 . 2]" 1
108 1 12 TRP HZ2 1 43 ARG HD3 . . 5.010 3.946 3.728 4.261 . 0 0 "[ . 1 . 2]" 1
109 1 12 TRP HZ2 1 43 ARG HG3 . . 5.500 3.390 2.856 3.809 . 0 0 "[ . 1 . 2]" 1
110 1 12 TRP HZ2 1 47 GLU HB2 . . 4.730 4.310 3.706 4.730 0.000 3 0 "[ . 1 . 2]" 1
111 1 12 TRP HZ2 1 47 GLU HB3 . . 3.800 3.239 2.970 3.424 . 0 0 "[ . 1 . 2]" 1
112 1 12 TRP HZ2 1 47 GLU QG . . 5.150 5.025 4.636 5.152 0.002 11 0 "[ . 1 . 2]" 1
113 1 12 TRP HZ2 1 48 CYS H . . 5.170 4.028 3.790 4.234 . 0 0 "[ . 1 . 2]" 1
114 1 12 TRP HZ2 1 48 CYS HA . . 3.710 2.848 2.476 3.205 . 0 0 "[ . 1 . 2]" 1
115 1 12 TRP HZ2 1 51 HIS H . . 5.080 4.791 4.438 5.082 0.002 17 0 "[ . 1 . 2]" 1
116 1 12 TRP HZ2 1 51 HIS HB2 . . 3.900 2.676 2.252 3.151 . 0 0 "[ . 1 . 2]" 1
117 1 12 TRP HZ2 1 51 HIS HB3 . . 4.090 3.008 2.762 3.282 . 0 0 "[ . 1 . 2]" 1
118 1 12 TRP HZ3 1 16 GLU HB2 . . 4.360 2.821 2.162 3.275 . 0 0 "[ . 1 . 2]" 1
119 1 12 TRP HZ3 1 16 GLU HB3 . . 5.460 4.527 3.859 5.023 . 0 0 "[ . 1 . 2]" 1
120 1 12 TRP HZ3 1 16 GLU QG . . 5.340 3.841 3.444 4.562 . 0 0 "[ . 1 . 2]" 1
121 1 12 TRP HZ3 1 17 GLU HA . . 4.640 4.000 3.625 4.325 . 0 0 "[ . 1 . 2]" 1
122 1 12 TRP HZ3 1 20 LEU H . . 4.240 4.085 3.736 4.246 0.006 15 0 "[ . 1 . 2]" 1
123 1 12 TRP HZ3 1 20 LEU HA . . 5.330 4.604 4.275 4.880 . 0 0 "[ . 1 . 2]" 1
124 1 12 TRP HZ3 1 20 LEU HB2 . . 3.580 2.651 2.332 2.820 . 0 0 "[ . 1 . 2]" 1
125 1 12 TRP HZ3 1 20 LEU HB3 . . 4.230 4.142 3.876 4.233 0.003 13 0 "[ . 1 . 2]" 1
126 1 12 TRP HZ3 1 20 LEU QD . . 4.600 2.894 2.584 3.175 . 0 0 "[ . 1 . 2]" 1
127 1 12 TRP HZ3 1 20 LEU HG . . 5.500 5.291 4.985 5.503 0.003 10 0 "[ . 1 . 2]" 1
128 1 12 TRP HZ3 1 39 VAL MG1 . . 3.610 2.081 1.910 2.264 . 0 0 "[ . 1 . 2]" 1
129 1 12 TRP HZ3 1 39 VAL MG2 . . 4.300 3.430 3.140 3.747 . 0 0 "[ . 1 . 2]" 1
130 1 12 TRP HZ3 1 43 ARG HG3 . . 5.500 3.661 3.305 4.192 . 0 0 "[ . 1 . 2]" 1
131 1 13 GLY H 1 14 ALA H . . 5.320 4.498 4.309 4.610 . 0 0 "[ . 1 . 2]" 1
132 1 13 GLY H 1 16 GLU H . . 4.520 3.896 3.670 4.325 . 0 0 "[ . 1 . 2]" 1
133 1 13 GLY H 1 16 GLU HB3 . . 4.720 4.232 4.032 4.389 . 0 0 "[ . 1 . 2]" 1
134 1 13 GLY H 1 16 GLU HG2 . . 3.970 2.001 1.890 2.477 . 0 0 "[ . 1 . 2]" 1
135 1 13 GLY H 1 16 GLU QG . . 3.410 1.864 1.804 2.000 . 0 0 "[ . 1 . 2]" 1
136 1 13 GLY H 1 16 GLU HG3 . . 3.970 2.369 1.898 2.814 . 0 0 "[ . 1 . 2]" 1
137 1 13 GLY H 1 17 GLU H . . 5.040 4.077 3.718 4.846 . 0 0 "[ . 1 . 2]" 1
138 1 13 GLY H 1 43 ARG QH2 . . 4.810 4.522 3.928 4.813 0.003 9 0 "[ . 1 . 2]" 1
139 1 13 GLY HA2 1 14 ALA H . . 3.510 2.367 2.196 2.847 . 0 0 "[ . 1 . 2]" 1
140 1 13 GLY HA2 1 14 ALA MB . . 4.770 4.125 4.046 4.226 . 0 0 "[ . 1 . 2]" 1
141 1 13 GLY HA2 1 16 GLU H . . 5.500 5.186 5.017 5.508 0.008 12 0 "[ . 1 . 2]" 1
142 1 13 GLY HA3 1 14 ALA H . . 3.380 2.806 2.315 3.041 . 0 0 "[ . 1 . 2]" 1
143 1 13 GLY HA3 1 14 ALA MB . . 5.020 4.366 4.189 4.439 . 0 0 "[ . 1 . 2]" 1
144 1 13 GLY HA3 1 15 ASP H . . 4.340 3.372 3.206 3.624 . 0 0 "[ . 1 . 2]" 1
145 1 13 GLY HA3 1 16 GLU H . . 4.200 3.821 3.694 4.005 . 0 0 "[ . 1 . 2]" 1
146 1 13 GLY HA3 1 16 GLU HG2 . . 5.020 3.209 2.718 3.809 . 0 0 "[ . 1 . 2]" 1
147 1 13 GLY HA3 1 16 GLU QG . . 4.250 3.104 2.679 3.627 . 0 0 "[ . 1 . 2]" 1
148 1 13 GLY HA3 1 16 GLU HG3 . . 5.020 4.258 3.835 4.555 . 0 0 "[ . 1 . 2]" 1
149 1 13 GLY HA3 1 17 GLU H . . 4.990 4.596 4.485 5.000 0.010 6 0 "[ . 1 . 2]" 1
150 1 14 ALA H 1 14 ALA MB . . 3.040 2.166 2.054 2.288 . 0 0 "[ . 1 . 2]" 1
151 1 14 ALA HA 1 16 GLU H . . 5.320 5.279 4.888 5.329 0.009 18 0 "[ . 1 . 2]" 1
152 1 14 ALA HA 1 17 GLU H . . 3.940 3.708 3.633 3.840 . 0 0 "[ . 1 . 2]" 1
153 1 14 ALA HA 1 17 GLU HB2 . . 3.670 2.287 2.112 2.560 . 0 0 "[ . 1 . 2]" 1
154 1 14 ALA HA 1 17 GLU HB3 . . 4.000 3.582 3.406 3.983 . 0 0 "[ . 1 . 2]" 1
155 1 14 ALA HA 1 17 GLU HG2 . . 5.080 4.757 4.182 5.104 0.024 6 0 "[ . 1 . 2]" 1
156 1 14 ALA HA 1 17 GLU HG3 . . 4.330 3.689 3.346 3.964 . 0 0 "[ . 1 . 2]" 1
157 1 14 ALA HA 1 18 LEU H . . 4.870 4.010 3.564 4.506 . 0 0 "[ . 1 . 2]" 1
158 1 14 ALA MB 1 15 ASP H . . 3.460 2.699 2.575 2.848 . 0 0 "[ . 1 . 2]" 1
159 1 14 ALA MB 1 15 ASP HA . . 4.620 3.795 3.675 3.863 . 0 0 "[ . 1 . 2]" 1
160 1 14 ALA MB 1 15 ASP QB . . 5.110 4.291 3.779 4.515 . 0 0 "[ . 1 . 2]" 1
161 1 14 ALA MB 1 16 GLU H . . 5.230 5.091 4.806 5.196 . 0 0 "[ . 1 . 2]" 1
162 1 14 ALA MB 1 17 GLU H . . 4.620 4.597 4.540 4.650 0.030 8 0 "[ . 1 . 2]" 1
163 1 14 ALA MB 1 17 GLU HB2 . . 4.730 3.912 3.799 4.068 . 0 0 "[ . 1 . 2]" 1
164 1 14 ALA MB 1 17 GLU HB3 . . 5.200 4.956 4.833 5.121 . 0 0 "[ . 1 . 2]" 1
165 1 14 ALA MB 1 17 GLU HG3 . . 5.160 4.978 4.747 5.173 0.013 6 0 "[ . 1 . 2]" 1
166 1 14 ALA MB 1 18 LEU QB . . 4.570 4.046 3.760 4.483 . 0 0 "[ . 1 . 2]" 1
167 1 15 ASP H 1 15 ASP HB2 . . 3.710 2.488 2.231 3.521 . 0 0 "[ . 1 . 2]" 1
168 1 15 ASP H 1 15 ASP HB3 . . 3.710 3.384 2.690 3.593 . 0 0 "[ . 1 . 2]" 1
169 1 15 ASP H 1 16 GLU H . . 3.110 2.974 2.747 3.051 . 0 0 "[ . 1 . 2]" 1
170 1 15 ASP H 1 16 GLU QG . . 4.970 4.088 3.808 4.437 . 0 0 "[ . 1 . 2]" 1
171 1 15 ASP H 1 17 GLU H . . 4.120 3.607 3.527 3.766 . 0 0 "[ . 1 . 2]" 1
172 1 15 ASP H 1 17 GLU HB2 . . 4.690 4.342 4.221 4.662 . 0 0 "[ . 1 . 2]" 1
173 1 15 ASP H 1 18 LEU MD2 . . 5.500 5.464 5.342 5.513 0.013 7 0 "[ . 1 . 2]" 1
174 1 15 ASP HA 1 18 LEU H . . 3.950 3.473 3.241 3.662 . 0 0 "[ . 1 . 2]" 1
175 1 15 ASP HA 1 18 LEU QB . . 3.650 2.917 2.681 3.022 . 0 0 "[ . 1 . 2]" 1
176 1 15 ASP HA 1 18 LEU MD1 . . 5.500 5.425 5.208 5.517 0.017 19 0 "[ . 1 . 2]" 1
177 1 15 ASP HA 1 18 LEU MD2 . . 3.790 3.176 3.030 3.248 . 0 0 "[ . 1 . 2]" 1
178 1 15 ASP HA 1 19 LEU H . . 4.970 4.183 3.883 4.486 . 0 0 "[ . 1 . 2]" 1
179 1 15 ASP HA 1 19 LEU QD . . 4.700 3.818 3.075 4.410 . 0 0 "[ . 1 . 2]" 1
180 1 15 ASP QB 1 16 GLU H . . 3.380 2.042 1.886 2.648 . 0 0 "[ . 1 . 2]" 1
181 1 15 ASP QB 1 19 LEU QD . . 4.440 3.372 2.707 4.018 . 0 0 "[ . 1 . 2]" 1
182 1 15 ASP HB2 1 16 GLU H . . 3.940 2.359 1.902 3.587 . 0 0 "[ . 1 . 2]" 1
183 1 15 ASP HB3 1 16 GLU H . . 3.940 2.819 1.896 3.708 . 0 0 "[ . 1 . 2]" 1
184 1 16 GLU H 1 16 GLU HB3 . . 3.020 2.593 2.390 2.815 . 0 0 "[ . 1 . 2]" 1
185 1 16 GLU H 1 16 GLU HG2 . . 3.860 2.319 1.916 2.723 . 0 0 "[ . 1 . 2]" 1
186 1 16 GLU H 1 16 GLU QG . . 3.080 2.282 1.906 2.657 . 0 0 "[ . 1 . 2]" 1
187 1 16 GLU H 1 16 GLU HG3 . . 3.860 3.474 3.052 3.702 . 0 0 "[ . 1 . 2]" 1
188 1 16 GLU H 1 17 GLU H . . 3.060 2.689 2.638 2.785 . 0 0 "[ . 1 . 2]" 1
189 1 16 GLU H 1 18 LEU QB . . 5.340 5.245 5.153 5.376 0.036 14 0 "[ . 1 . 2]" 1
190 1 16 GLU H 1 19 LEU QD . . 4.570 4.111 3.672 4.464 . 0 0 "[ . 1 . 2]" 1
191 1 16 GLU H 1 19 LEU HG . . 5.500 5.350 4.956 5.511 0.011 13 0 "[ . 1 . 2]" 1
192 1 16 GLU H 1 39 VAL MG1 . . 5.500 4.927 4.527 5.317 . 0 0 "[ . 1 . 2]" 1
193 1 16 GLU HA 1 16 GLU QG . . 3.600 3.376 3.331 3.438 . 0 0 "[ . 1 . 2]" 1
194 1 16 GLU HA 1 19 LEU H . . 4.050 3.676 3.525 3.909 . 0 0 "[ . 1 . 2]" 1
195 1 16 GLU HA 1 19 LEU HB2 . . 3.380 2.923 2.744 3.052 . 0 0 "[ . 1 . 2]" 1
196 1 16 GLU HA 1 19 LEU HB3 . . 4.570 4.547 4.370 4.581 0.011 5 0 "[ . 1 . 2]" 1
197 1 16 GLU HA 1 19 LEU QD . . 3.520 2.727 2.202 3.527 0.007 13 0 "[ . 1 . 2]" 1
198 1 16 GLU HA 1 19 LEU HG . . 4.300 3.838 3.608 4.084 . 0 0 "[ . 1 . 2]" 1
199 1 16 GLU HA 1 20 LEU H . . 4.330 3.984 3.756 4.350 0.020 14 0 "[ . 1 . 2]" 1
200 1 16 GLU HA 1 39 VAL MG1 . . 3.880 2.727 2.206 3.097 . 0 0 "[ . 1 . 2]" 1
201 1 16 GLU HB2 1 17 GLU H . . 4.920 4.060 3.852 4.167 . 0 0 "[ . 1 . 2]" 1
202 1 16 GLU HB2 1 39 VAL MG1 . . 4.600 2.697 2.468 3.175 . 0 0 "[ . 1 . 2]" 1
203 1 16 GLU HB2 1 41 ASN HD21 . . 4.600 2.248 1.899 3.027 . 0 0 "[ . 1 . 2]" 1
204 1 16 GLU HB2 1 41 ASN HD22 . . 4.710 3.379 3.023 4.007 . 0 0 "[ . 1 . 2]" 1
205 1 16 GLU HB3 1 17 GLU H . . 4.330 4.231 4.106 4.320 . 0 0 "[ . 1 . 2]" 1
206 1 16 GLU HB3 1 39 VAL MG1 . . 4.860 3.453 3.156 3.924 . 0 0 "[ . 1 . 2]" 1
207 1 16 GLU HB3 1 41 ASN HD21 . . 4.990 2.150 1.901 2.573 . 0 0 "[ . 1 . 2]" 1
208 1 16 GLU HB3 1 41 ASN HD22 . . 4.970 2.876 2.760 3.117 . 0 0 "[ . 1 . 2]" 1
209 1 16 GLU QG 1 17 GLU H . . 3.570 2.590 2.351 2.711 . 0 0 "[ . 1 . 2]" 1
210 1 16 GLU QG 1 39 VAL MG1 . . 4.510 4.128 3.980 4.507 . 0 0 "[ . 1 . 2]" 1
211 1 16 GLU HG2 1 39 VAL MG1 . . 5.290 4.921 4.595 5.271 . 0 0 "[ . 1 . 2]" 1
212 1 16 GLU HG3 1 39 VAL MG1 . . 5.290 4.446 4.229 4.953 . 0 0 "[ . 1 . 2]" 1
213 1 17 GLU H 1 17 GLU HB2 . . 2.910 2.260 2.195 2.391 . 0 0 "[ . 1 . 2]" 1
214 1 17 GLU H 1 17 GLU HB3 . . 3.680 3.537 3.483 3.605 . 0 0 "[ . 1 . 2]" 1
215 1 17 GLU H 1 17 GLU HG2 . . 3.910 3.530 2.890 3.912 0.002 6 0 "[ . 1 . 2]" 1
216 1 17 GLU H 1 17 GLU HG3 . . 3.950 3.248 2.609 3.959 0.009 8 0 "[ . 1 . 2]" 1
217 1 17 GLU H 1 18 LEU H . . 3.160 2.360 2.303 2.518 . 0 0 "[ . 1 . 2]" 1
218 1 17 GLU H 1 18 LEU HA . . 5.390 5.028 4.985 5.123 . 0 0 "[ . 1 . 2]" 1
219 1 17 GLU H 1 18 LEU QB . . 4.380 4.054 4.008 4.112 . 0 0 "[ . 1 . 2]" 1
220 1 17 GLU H 1 18 LEU MD2 . . 5.500 5.550 5.538 5.573 0.073 15 0 "[ . 1 . 2]" 1
221 1 17 GLU H 1 19 LEU QD . . 5.210 4.692 4.322 5.097 . 0 0 "[ . 1 . 2]" 1
222 1 17 GLU H 1 39 VAL MG1 . . 5.500 5.049 4.799 5.325 . 0 0 "[ . 1 . 2]" 1
223 1 17 GLU HA 1 17 GLU HG2 . . 4.220 2.356 2.174 2.652 . 0 0 "[ . 1 . 2]" 1
224 1 17 GLU HA 1 17 GLU HG3 . . 3.970 3.285 2.946 3.690 . 0 0 "[ . 1 . 2]" 1
225 1 17 GLU HA 1 19 LEU H . . 4.890 4.642 4.319 4.859 . 0 0 "[ . 1 . 2]" 1
226 1 17 GLU HA 1 20 LEU HB2 . . 4.380 3.645 3.319 3.834 . 0 0 "[ . 1 . 2]" 1
227 1 17 GLU HA 1 20 LEU HB3 . . 3.850 3.304 2.989 3.655 . 0 0 "[ . 1 . 2]" 1
228 1 17 GLU HA 1 20 LEU QD . . 4.330 3.435 3.195 3.617 . 0 0 "[ . 1 . 2]" 1
229 1 17 GLU HB2 1 18 LEU H . . 3.420 2.858 2.362 3.015 . 0 0 "[ . 1 . 2]" 1
230 1 17 GLU HB2 1 18 LEU QB . . 4.780 4.240 4.008 4.345 . 0 0 "[ . 1 . 2]" 1
231 1 17 GLU HB3 1 18 LEU H . . 3.920 3.516 3.311 3.693 . 0 0 "[ . 1 . 2]" 1
232 1 17 GLU HB3 1 18 LEU QB . . 5.070 4.634 4.473 4.807 . 0 0 "[ . 1 . 2]" 1
233 1 18 LEU H 1 18 LEU HB2 . . 3.520 3.009 2.891 3.094 . 0 0 "[ . 1 . 2]" 1
234 1 18 LEU H 1 18 LEU QB . . 2.700 2.104 2.087 2.141 . 0 0 "[ . 1 . 2]" 1
235 1 18 LEU H 1 18 LEU HB3 . . 3.520 2.149 2.129 2.206 . 0 0 "[ . 1 . 2]" 1
236 1 18 LEU H 1 18 LEU MD1 . . 4.590 4.360 4.313 4.402 . 0 0 "[ . 1 . 2]" 1
237 1 18 LEU H 1 18 LEU MD2 . . 4.220 3.933 3.906 3.978 . 0 0 "[ . 1 . 2]" 1
238 1 18 LEU H 1 18 LEU HG . . 4.340 4.087 4.029 4.239 . 0 0 "[ . 1 . 2]" 1
239 1 18 LEU H 1 19 LEU H . . 3.140 2.554 2.462 2.818 . 0 0 "[ . 1 . 2]" 1
240 1 18 LEU H 1 19 LEU QD . . 5.040 4.286 3.346 4.838 . 0 0 "[ . 1 . 2]" 1
241 1 18 LEU H 1 20 LEU H . . 4.550 4.228 3.972 4.554 0.004 14 0 "[ . 1 . 2]" 1
242 1 18 LEU HA 1 18 LEU MD1 . . 3.120 2.623 2.485 2.737 . 0 0 "[ . 1 . 2]" 1
243 1 18 LEU HA 1 18 LEU MD2 . . 4.090 4.049 4.030 4.059 . 0 0 "[ . 1 . 2]" 1
244 1 18 LEU HA 1 18 LEU HG . . 4.100 3.332 3.122 3.372 . 0 0 "[ . 1 . 2]" 1
245 1 18 LEU HA 1 20 LEU H . . 5.500 4.662 4.416 4.932 . 0 0 "[ . 1 . 2]" 1
246 1 18 LEU HA 1 21 ILE H . . 4.040 3.797 3.639 3.996 . 0 0 "[ . 1 . 2]" 1
247 1 18 LEU HA 1 21 ILE MD . . 3.670 2.648 2.155 2.963 . 0 0 "[ . 1 . 2]" 1
248 1 18 LEU HA 1 21 ILE QG . . 4.390 3.940 3.360 4.314 . 0 0 "[ . 1 . 2]" 1
249 1 18 LEU HA 1 21 ILE MG . . 4.810 4.717 4.613 4.831 0.021 14 0 "[ . 1 . 2]" 1
250 1 18 LEU HA 1 22 ASP H . . 4.550 4.286 4.174 4.486 . 0 0 "[ . 1 . 2]" 1
251 1 18 LEU QB 1 18 LEU MD2 . . 3.110 1.978 1.932 1.992 . 0 0 "[ . 1 . 2]" 1
252 1 18 LEU QB 1 19 LEU H . . 3.050 2.720 2.586 2.882 . 0 0 "[ . 1 . 2]" 1
253 1 18 LEU QB 1 19 LEU HA . . 5.340 4.464 4.375 4.528 . 0 0 "[ . 1 . 2]" 1
254 1 18 LEU QB 1 22 ASP H . . 5.340 5.345 5.311 5.356 0.016 5 0 "[ . 1 . 2]" 1
255 1 18 LEU HB2 1 18 LEU MD2 . . 3.570 2.604 2.576 2.715 . 0 0 "[ . 1 . 2]" 1
256 1 18 LEU HB3 1 18 LEU MD2 . . 3.570 2.051 1.977 2.073 . 0 0 "[ . 1 . 2]" 1
257 1 18 LEU MD1 1 19 LEU HA . . 5.500 4.063 3.928 4.542 . 0 0 "[ . 1 . 2]" 1
258 1 18 LEU MD2 1 19 LEU H . . 4.340 3.711 3.432 3.898 . 0 0 "[ . 1 . 2]" 1
259 1 18 LEU HG 1 19 LEU H . . 4.680 2.956 2.740 3.183 . 0 0 "[ . 1 . 2]" 1
260 1 18 LEU HG 1 19 LEU HA . . 4.310 2.981 2.881 3.141 . 0 0 "[ . 1 . 2]" 1
261 1 19 LEU H 1 19 LEU HB2 . . 3.060 2.443 2.349 2.535 . 0 0 "[ . 1 . 2]" 1
262 1 19 LEU H 1 19 LEU HB3 . . 3.740 3.579 3.564 3.587 . 0 0 "[ . 1 . 2]" 1
263 1 19 LEU H 1 19 LEU MD1 . . 4.450 3.511 3.130 3.894 . 0 0 "[ . 1 . 2]" 1
264 1 19 LEU H 1 19 LEU MD2 . . 4.450 3.136 1.841 3.712 . 0 0 "[ . 1 . 2]" 1
265 1 19 LEU H 1 19 LEU HG . . 3.610 2.599 2.170 3.598 . 0 0 "[ . 1 . 2]" 1
266 1 19 LEU H 1 20 LEU H . . 3.150 2.810 2.673 2.970 . 0 0 "[ . 1 . 2]" 1
267 1 19 LEU H 1 21 ILE H . . 4.870 4.436 4.163 4.571 . 0 0 "[ . 1 . 2]" 1
268 1 19 LEU H 1 21 ILE MD . . 5.500 5.334 4.104 5.504 0.004 8 0 "[ . 1 . 2]" 1
269 1 19 LEU H 1 39 VAL MG1 . . 5.500 4.618 4.362 4.793 . 0 0 "[ . 1 . 2]" 1
270 1 19 LEU H 1 39 VAL MG2 . . 5.010 4.696 4.518 4.948 . 0 0 "[ . 1 . 2]" 1
271 1 19 LEU HA 1 19 LEU QD . . 3.130 2.163 1.959 2.546 . 0 0 "[ . 1 . 2]" 1
272 1 19 LEU HA 1 19 LEU HG . . 4.010 3.149 2.817 3.766 . 0 0 "[ . 1 . 2]" 1
273 1 19 LEU HA 1 21 ILE H . . 4.540 4.455 4.238 4.556 0.016 14 0 "[ . 1 . 2]" 1
274 1 19 LEU HA 1 22 ASP H . . 4.130 3.622 3.357 3.892 . 0 0 "[ . 1 . 2]" 1
275 1 19 LEU HA 1 22 ASP HB2 . . 3.600 2.964 2.166 3.558 . 0 0 "[ . 1 . 2]" 1
276 1 19 LEU HA 1 22 ASP HB3 . . 3.640 3.169 2.766 3.661 0.021 16 0 "[ . 1 . 2]" 1
277 1 19 LEU HA 1 23 ALA MB . . 5.070 4.418 4.153 4.525 . 0 0 "[ . 1 . 2]" 1
278 1 19 LEU HA 1 38 TYR QD . . 4.550 3.758 3.417 4.048 . 0 0 "[ . 1 . 2]" 1
279 1 19 LEU HA 1 38 TYR QE . . 3.630 2.536 2.002 2.919 . 0 0 "[ . 1 . 2]" 1
280 1 19 LEU HB2 1 20 LEU H . . 3.460 2.419 2.241 2.605 . 0 0 "[ . 1 . 2]" 1
281 1 19 LEU HB2 1 20 LEU HA . . 5.190 4.247 4.133 4.402 . 0 0 "[ . 1 . 2]" 1
282 1 19 LEU HB2 1 21 ILE H . . 5.380 5.121 4.936 5.249 . 0 0 "[ . 1 . 2]" 1
283 1 19 LEU HB2 1 23 ALA MB . . 5.500 5.065 4.844 5.222 . 0 0 "[ . 1 . 2]" 1
284 1 19 LEU HB2 1 38 TYR QD . . 4.680 4.007 3.673 4.339 . 0 0 "[ . 1 . 2]" 1
285 1 19 LEU HB2 1 39 VAL HA . . 3.620 2.793 2.569 2.985 . 0 0 "[ . 1 . 2]" 1
286 1 19 LEU HB2 1 39 VAL MG2 . . 4.350 2.926 2.600 3.340 . 0 0 "[ . 1 . 2]" 1
287 1 19 LEU HB3 1 19 LEU MD1 . . 3.500 2.398 2.059 2.630 . 0 0 "[ . 1 . 2]" 1
288 1 19 LEU HB3 1 19 LEU MD2 . . 3.500 2.460 2.042 3.175 . 0 0 "[ . 1 . 2]" 1
289 1 19 LEU HB3 1 20 LEU H . . 3.700 3.380 3.116 3.617 . 0 0 "[ . 1 . 2]" 1
290 1 19 LEU HB3 1 38 TYR QD . . 3.870 2.390 1.997 2.703 . 0 0 "[ . 1 . 2]" 1
291 1 19 LEU HB3 1 38 TYR QE . . 4.190 2.965 2.325 3.468 . 0 0 "[ . 1 . 2]" 1
292 1 19 LEU HB3 1 39 VAL HA . . 3.500 2.525 2.344 2.713 . 0 0 "[ . 1 . 2]" 1
293 1 19 LEU HB3 1 39 VAL MG1 . . 4.040 3.762 3.488 4.040 . 0 0 "[ . 1 . 2]" 1
294 1 19 LEU HB3 1 39 VAL MG2 . . 4.160 2.889 2.602 3.199 . 0 0 "[ . 1 . 2]" 1
295 1 19 LEU QD 1 20 LEU H . . 5.440 3.890 3.720 4.063 . 0 0 "[ . 1 . 2]" 1
296 1 19 LEU QD 1 22 ASP HB2 . . 4.670 3.984 3.226 4.571 . 0 0 "[ . 1 . 2]" 1
297 1 19 LEU QD 1 22 ASP HB3 . . 4.750 3.822 3.450 4.192 . 0 0 "[ . 1 . 2]" 1
298 1 19 LEU QD 1 38 TYR QD . . 3.760 2.963 2.371 3.340 . 0 0 "[ . 1 . 2]" 1
299 1 19 LEU QD 1 38 TYR QE . . 3.370 2.153 1.951 2.466 . 0 0 "[ . 1 . 2]" 1
300 1 19 LEU QD 1 39 VAL HA . . 3.830 2.570 1.970 3.522 . 0 0 "[ . 1 . 2]" 1
301 1 19 LEU MD1 1 38 TYR QD . . 5.010 3.676 2.379 4.244 . 0 0 "[ . 1 . 2]" 1
302 1 19 LEU MD1 1 38 TYR QE . . 4.710 3.775 1.970 4.708 . 0 0 "[ . 1 . 2]" 1
303 1 19 LEU MD1 1 39 VAL HA . . 4.640 2.613 1.978 3.661 . 0 0 "[ . 1 . 2]" 1
304 1 19 LEU MD2 1 38 TYR QD . . 5.010 3.567 2.684 4.838 . 0 0 "[ . 1 . 2]" 1
305 1 19 LEU MD2 1 38 TYR QE . . 4.710 2.634 1.955 4.164 . 0 0 "[ . 1 . 2]" 1
306 1 19 LEU MD2 1 39 VAL HA . . 4.640 4.007 3.555 4.646 0.006 13 0 "[ . 1 . 2]" 1
307 1 19 LEU HG 1 38 TYR QE . . 5.000 4.571 4.096 5.001 0.001 18 0 "[ . 1 . 2]" 1
308 1 19 LEU HG 1 39 VAL HA . . 4.880 4.288 3.034 4.881 0.001 10 0 "[ . 1 . 2]" 1
309 1 20 LEU H 1 20 LEU HB2 . . 3.080 2.419 2.279 2.554 . 0 0 "[ . 1 . 2]" 1
310 1 20 LEU H 1 20 LEU HB3 . . 3.070 2.638 2.469 2.770 . 0 0 "[ . 1 . 2]" 1
311 1 20 LEU H 1 20 LEU QD . . 4.550 3.617 3.511 3.693 . 0 0 "[ . 1 . 2]" 1
312 1 20 LEU H 1 20 LEU HG . . 4.680 4.544 4.464 4.600 . 0 0 "[ . 1 . 2]" 1
313 1 20 LEU H 1 21 ILE H . . 3.330 3.003 2.831 3.163 . 0 0 "[ . 1 . 2]" 1
314 1 20 LEU H 1 23 ALA MB . . 4.910 4.666 4.553 4.802 . 0 0 "[ . 1 . 2]" 1
315 1 20 LEU H 1 39 VAL HA . . 4.720 4.355 4.079 4.577 . 0 0 "[ . 1 . 2]" 1
316 1 20 LEU H 1 39 VAL MG1 . . 3.610 3.240 2.953 3.535 . 0 0 "[ . 1 . 2]" 1
317 1 20 LEU H 1 39 VAL MG2 . . 3.730 2.735 2.472 3.053 . 0 0 "[ . 1 . 2]" 1
318 1 20 LEU HA 1 20 LEU MD1 . . 4.690 2.145 1.990 2.338 . 0 0 "[ . 1 . 2]" 1
319 1 20 LEU HA 1 20 LEU QD . . 3.170 2.134 1.983 2.322 . 0 0 "[ . 1 . 2]" 1
320 1 20 LEU HA 1 20 LEU MD2 . . 4.690 3.870 3.786 3.936 . 0 0 "[ . 1 . 2]" 1
321 1 20 LEU HA 1 20 LEU HG . . 3.910 3.164 3.023 3.255 . 0 0 "[ . 1 . 2]" 1
322 1 20 LEU HA 1 23 ALA H . . 4.090 3.936 3.814 4.028 . 0 0 "[ . 1 . 2]" 1
323 1 20 LEU HA 1 23 ALA MB . . 3.550 3.042 2.847 3.200 . 0 0 "[ . 1 . 2]" 1
324 1 20 LEU HA 1 24 CYS H . . 4.810 4.147 3.900 4.290 . 0 0 "[ . 1 . 2]" 1
325 1 20 LEU HA 1 35 ILE MG . . 3.860 2.912 2.693 3.137 . 0 0 "[ . 1 . 2]" 1
326 1 20 LEU HA 1 39 VAL HB . . 5.500 4.709 4.387 5.000 . 0 0 "[ . 1 . 2]" 1
327 1 20 LEU HA 1 39 VAL MG1 . . 4.440 3.682 3.326 4.040 . 0 0 "[ . 1 . 2]" 1
328 1 20 LEU HA 1 39 VAL MG2 . . 3.200 2.005 1.784 2.249 . 0 0 "[ . 1 . 2]" 1
329 1 20 LEU HB2 1 20 LEU MD1 . . 3.590 2.321 2.206 2.423 . 0 0 "[ . 1 . 2]" 1
330 1 20 LEU HB2 1 20 LEU QD . . 3.130 2.060 2.029 2.119 . 0 0 "[ . 1 . 2]" 1
331 1 20 LEU HB2 1 20 LEU MD2 . . 3.590 2.311 2.230 2.408 . 0 0 "[ . 1 . 2]" 1
332 1 20 LEU HB2 1 21 ILE H . . 4.350 3.743 3.634 3.888 . 0 0 "[ . 1 . 2]" 1
333 1 20 LEU HB2 1 39 VAL MG1 . . 4.140 3.021 2.606 3.510 . 0 0 "[ . 1 . 2]" 1
334 1 20 LEU HB2 1 39 VAL MG2 . . 3.620 2.758 2.253 3.070 . 0 0 "[ . 1 . 2]" 1
335 1 20 LEU HB3 1 21 ILE H . . 3.280 2.371 2.233 2.548 . 0 0 "[ . 1 . 2]" 1
336 1 20 LEU HB3 1 21 ILE MD . . 4.570 4.200 2.369 4.464 . 0 0 "[ . 1 . 2]" 1
337 1 20 LEU HB3 1 21 ILE QG . . 4.720 3.057 2.946 3.528 . 0 0 "[ . 1 . 2]" 1
338 1 20 LEU HB3 1 22 ASP H . . 5.400 5.159 4.935 5.283 . 0 0 "[ . 1 . 2]" 1
339 1 20 LEU HB3 1 39 VAL MG2 . . 4.390 3.916 3.616 4.173 . 0 0 "[ . 1 . 2]" 1
340 1 20 LEU HB3 1 51 HIS HD2 . . 5.080 4.781 4.513 5.082 0.002 17 0 "[ . 1 . 2]" 1
341 1 20 LEU QD 1 21 ILE H . . 4.400 3.788 3.603 4.005 . 0 0 "[ . 1 . 2]" 1
342 1 20 LEU QD 1 23 ALA MB . . 3.930 3.612 3.403 3.787 . 0 0 "[ . 1 . 2]" 1
343 1 20 LEU QD 1 24 CYS H . . 4.450 4.121 3.913 4.315 . 0 0 "[ . 1 . 2]" 1
344 1 20 LEU QD 1 32 TRP HH2 . . 4.810 3.353 2.539 3.806 . 0 0 "[ . 1 . 2]" 1
345 1 20 LEU QD 1 32 TRP HZ3 . . 3.700 2.100 1.887 2.413 . 0 0 "[ . 1 . 2]" 1
346 1 20 LEU QD 1 48 CYS H . . 5.440 4.960 4.576 5.224 . 0 0 "[ . 1 . 2]" 1
347 1 20 LEU QD 1 48 CYS HA . . 3.540 3.208 2.779 3.445 . 0 0 "[ . 1 . 2]" 1
348 1 20 LEU QD 1 48 CYS HB2 . . 4.260 3.861 3.619 4.081 . 0 0 "[ . 1 . 2]" 1
349 1 20 LEU QD 1 48 CYS HB3 . . 3.380 2.488 2.246 2.716 . 0 0 "[ . 1 . 2]" 1
350 1 20 LEU QD 1 51 HIS H . . 5.380 4.962 4.746 5.184 . 0 0 "[ . 1 . 2]" 1
351 1 20 LEU QD 1 51 HIS HB2 . . 4.780 4.639 4.514 4.770 . 0 0 "[ . 1 . 2]" 1
352 1 20 LEU QD 1 51 HIS HB3 . . 4.290 3.537 3.421 3.715 . 0 0 "[ . 1 . 2]" 1
353 1 20 LEU QD 1 51 HIS HD2 . . 3.110 1.895 1.769 2.016 . 0 0 "[ . 1 . 2]" 1
354 1 20 LEU QD 1 52 TYR H . . 3.540 3.417 3.257 3.530 . 0 0 "[ . 1 . 2]" 1
355 1 20 LEU QD 1 52 TYR HA . . 3.830 2.970 2.728 3.132 . 0 0 "[ . 1 . 2]" 1
356 1 20 LEU QD 1 52 TYR QB . . 3.270 2.057 1.925 2.351 . 0 0 "[ . 1 . 2]" 1
357 1 20 LEU QD 1 52 TYR QD . . 3.260 2.010 1.922 2.288 . 0 0 "[ . 1 . 2]" 1
358 1 20 LEU QD 1 53 LEU H . . 5.440 4.913 4.770 5.085 . 0 0 "[ . 1 . 2]" 1
359 1 20 LEU QD 1 56 TYR QE . . 3.990 2.098 1.832 2.644 . 0 0 "[ . 1 . 2]" 1
360 1 20 LEU MD1 1 48 CYS HA . . 4.080 3.439 2.994 3.716 . 0 0 "[ . 1 . 2]" 1
361 1 20 LEU MD1 1 48 CYS HB3 . . 4.250 2.509 2.258 2.749 . 0 0 "[ . 1 . 2]" 1
362 1 20 LEU MD1 1 51 HIS HB3 . . 5.500 4.334 4.032 4.508 . 0 0 "[ . 1 . 2]" 1
363 1 20 LEU MD1 1 52 TYR H . . 4.460 4.222 4.009 4.408 . 0 0 "[ . 1 . 2]" 1
364 1 20 LEU MD1 1 52 TYR QB . . 3.880 2.668 2.327 2.985 . 0 0 "[ . 1 . 2]" 1
365 1 20 LEU MD1 1 52 TYR QD . . 4.260 2.959 2.532 3.306 . 0 0 "[ . 1 . 2]" 1
366 1 20 LEU MD2 1 48 CYS HA . . 4.080 3.849 3.294 4.082 0.002 7 0 "[ . 1 . 2]" 1
367 1 20 LEU MD2 1 48 CYS HB3 . . 4.250 4.121 3.870 4.253 0.003 3 0 "[ . 1 . 2]" 1
368 1 20 LEU MD2 1 51 HIS HB3 . . 5.500 3.755 3.568 3.972 . 0 0 "[ . 1 . 2]" 1
369 1 20 LEU MD2 1 52 TYR H . . 4.460 3.615 3.447 3.737 . 0 0 "[ . 1 . 2]" 1
370 1 20 LEU MD2 1 52 TYR QB . . 3.880 2.162 1.962 2.518 . 0 0 "[ . 1 . 2]" 1
371 1 20 LEU MD2 1 52 TYR QD . . 4.260 2.052 1.939 2.356 . 0 0 "[ . 1 . 2]" 1
372 1 20 LEU HG 1 21 ILE H . . 5.040 3.614 3.210 4.088 . 0 0 "[ . 1 . 2]" 1
373 1 20 LEU HG 1 24 CYS H . . 5.490 4.647 4.442 4.852 . 0 0 "[ . 1 . 2]" 1
374 1 20 LEU HG 1 52 TYR QB . . 4.520 3.567 3.288 3.743 . 0 0 "[ . 1 . 2]" 1
375 1 20 LEU HG 1 52 TYR QD . . 3.680 2.186 2.000 2.420 . 0 0 "[ . 1 . 2]" 1
376 1 20 LEU HG 1 52 TYR QE . . 4.970 3.522 3.214 3.758 . 0 0 "[ . 1 . 2]" 1
377 1 21 ILE H 1 21 ILE HB . . 2.920 2.533 2.477 2.617 . 0 0 "[ . 1 . 2]" 1
378 1 21 ILE H 1 21 ILE MD . . 3.890 3.233 1.793 3.463 . 0 0 "[ . 1 . 2]" 1
379 1 21 ILE H 1 21 ILE HG12 . . 3.610 3.554 3.285 3.691 0.081 14 0 "[ . 1 . 2]" 1
380 1 21 ILE H 1 21 ILE QG . . 3.110 2.132 1.943 2.695 . 0 0 "[ . 1 . 2]" 1
381 1 21 ILE H 1 21 ILE HG13 . . 3.610 2.150 1.957 2.770 . 0 0 "[ . 1 . 2]" 1
382 1 21 ILE H 1 21 ILE MG . . 3.800 3.762 3.759 3.765 . 0 0 "[ . 1 . 2]" 1
383 1 21 ILE H 1 23 ALA H . . 4.740 4.106 3.927 4.254 . 0 0 "[ . 1 . 2]" 1
384 1 21 ILE H 1 23 ALA MB . . 4.990 4.813 4.680 4.939 . 0 0 "[ . 1 . 2]" 1
385 1 21 ILE H 1 52 TYR QD . . 5.500 5.300 5.097 5.504 0.004 17 0 "[ . 1 . 2]" 1
386 1 21 ILE H 1 52 TYR QE . . 5.500 5.187 4.826 5.486 . 0 0 "[ . 1 . 2]" 1
387 1 21 ILE H 1 56 TYR QE . . 5.500 5.257 4.650 5.500 0.000 12 0 "[ . 1 . 2]" 1
388 1 21 ILE HA 1 21 ILE MD . . 3.860 3.847 3.396 3.886 0.026 16 0 "[ . 1 . 2]" 1
389 1 21 ILE HA 1 21 ILE HG12 . . 3.820 2.727 2.605 3.558 . 0 0 "[ . 1 . 2]" 1
390 1 21 ILE HA 1 21 ILE HG13 . . 3.820 2.798 2.397 3.026 . 0 0 "[ . 1 . 2]" 1
391 1 21 ILE HA 1 21 ILE MG . . 3.320 2.391 2.329 2.459 . 0 0 "[ . 1 . 2]" 1
392 1 21 ILE HA 1 23 ALA H . . 4.920 4.240 4.107 4.386 . 0 0 "[ . 1 . 2]" 1
393 1 21 ILE HA 1 23 ALA MB . . 5.400 4.896 4.743 5.010 . 0 0 "[ . 1 . 2]" 1
394 1 21 ILE HA 1 24 CYS H . . 3.920 3.289 3.197 3.441 . 0 0 "[ . 1 . 2]" 1
395 1 21 ILE HA 1 24 CYS QB . . 3.580 2.403 2.086 3.035 . 0 0 "[ . 1 . 2]" 1
396 1 21 ILE HA 1 52 TYR QE . . 3.990 3.423 3.235 3.699 . 0 0 "[ . 1 . 2]" 1
397 1 21 ILE HB 1 21 ILE MD . . 3.420 2.336 2.118 2.402 . 0 0 "[ . 1 . 2]" 1
398 1 21 ILE HB 1 22 ASP H . . 3.370 2.187 2.077 2.440 . 0 0 "[ . 1 . 2]" 1
399 1 21 ILE HB 1 22 ASP HA . . 4.350 4.148 4.063 4.209 . 0 0 "[ . 1 . 2]" 1
400 1 21 ILE HB 1 22 ASP HB2 . . 5.160 4.131 3.939 4.505 . 0 0 "[ . 1 . 2]" 1
401 1 21 ILE HB 1 23 ALA H . . 4.850 4.776 4.643 4.856 0.006 8 0 "[ . 1 . 2]" 1
402 1 21 ILE MD 1 22 ASP H . . 5.000 4.077 3.266 4.301 . 0 0 "[ . 1 . 2]" 1
403 1 21 ILE MD 1 56 TYR QD . . 5.500 5.159 4.743 5.464 . 0 0 "[ . 1 . 2]" 1
404 1 21 ILE MD 1 56 TYR QE . . 3.810 3.355 2.799 3.806 . 0 0 "[ . 1 . 2]" 1
405 1 21 ILE QG 1 21 ILE MG . . 3.150 2.114 2.026 2.240 . 0 0 "[ . 1 . 2]" 1
406 1 21 ILE QG 1 22 ASP H . . 4.450 3.950 3.804 4.145 . 0 0 "[ . 1 . 2]" 1
407 1 21 ILE QG 1 52 TYR QE . . 4.200 3.290 2.833 3.871 . 0 0 "[ . 1 . 2]" 1
408 1 21 ILE QG 1 56 TYR QE . . 4.630 2.749 2.287 3.413 . 0 0 "[ . 1 . 2]" 1
409 1 21 ILE HG12 1 21 ILE MG . . 3.680 2.151 2.052 2.290 . 0 0 "[ . 1 . 2]" 1
410 1 21 ILE HG12 1 52 TYR QE . . 4.990 3.520 2.982 4.713 . 0 0 "[ . 1 . 2]" 1
411 1 21 ILE HG12 1 56 TYR QE . . 5.350 2.845 2.311 3.851 . 0 0 "[ . 1 . 2]" 1
412 1 21 ILE HG13 1 21 ILE MG . . 3.680 3.137 2.616 3.183 . 0 0 "[ . 1 . 2]" 1
413 1 21 ILE HG13 1 52 TYR QE . . 4.990 4.130 3.227 4.988 . 0 0 "[ . 1 . 2]" 1
414 1 21 ILE HG13 1 56 TYR QE . . 5.350 3.809 3.512 4.040 . 0 0 "[ . 1 . 2]" 1
415 1 21 ILE MG 1 22 ASP H . . 3.770 3.103 2.926 3.331 . 0 0 "[ . 1 . 2]" 1
416 1 21 ILE MG 1 22 ASP HA . . 4.070 3.405 3.269 3.556 . 0 0 "[ . 1 . 2]" 1
417 1 21 ILE MG 1 22 ASP HB2 . . 5.460 4.532 4.281 5.003 . 0 0 "[ . 1 . 2]" 1
418 1 21 ILE MG 1 24 CYS QB . . 5.340 3.347 3.184 4.386 . 0 0 "[ . 1 . 2]" 1
419 1 21 ILE MG 1 25 GLU H . . 4.650 3.815 3.750 4.009 . 0 0 "[ . 1 . 2]" 1
420 1 21 ILE MG 1 25 GLU HA . . 5.500 5.477 5.001 5.512 0.012 2 0 "[ . 1 . 2]" 1
421 1 21 ILE MG 1 25 GLU QB . . 4.190 3.616 3.030 3.832 . 0 0 "[ . 1 . 2]" 1
422 1 21 ILE MG 1 25 GLU QG . . 4.080 3.191 2.791 3.885 . 0 0 "[ . 1 . 2]" 1
423 1 21 ILE MG 1 52 TYR QE . . 4.770 4.259 3.931 4.656 . 0 0 "[ . 1 . 2]" 1
424 1 21 ILE MG 1 56 TYR QE . . 5.240 3.887 3.340 4.681 . 0 0 "[ . 1 . 2]" 1
425 1 22 ASP H 1 22 ASP HB2 . . 3.150 2.224 2.176 2.317 . 0 0 "[ . 1 . 2]" 1
426 1 22 ASP H 1 22 ASP HB3 . . 3.580 3.110 2.827 3.544 . 0 0 "[ . 1 . 2]" 1
427 1 22 ASP H 1 23 ALA H . . 3.430 2.934 2.760 2.992 . 0 0 "[ . 1 . 2]" 1
428 1 22 ASP H 1 23 ALA MB . . 4.660 4.560 4.465 4.643 . 0 0 "[ . 1 . 2]" 1
429 1 22 ASP H 1 38 TYR QE . . 5.080 4.743 4.489 4.975 . 0 0 "[ . 1 . 2]" 1
430 1 22 ASP HA 1 23 ALA MB . . 5.500 5.016 5.003 5.032 . 0 0 "[ . 1 . 2]" 1
431 1 22 ASP HA 1 24 CYS H . . 4.860 4.734 4.603 4.856 . 0 0 "[ . 1 . 2]" 1
432 1 22 ASP HA 1 25 GLU H . . 4.110 3.892 3.663 4.045 . 0 0 "[ . 1 . 2]" 1
433 1 22 ASP HA 1 25 GLU QB . . 3.930 3.554 3.406 3.947 0.017 20 0 "[ . 1 . 2]" 1
434 1 22 ASP HA 1 26 THR H . . 4.110 4.010 3.627 4.116 0.006 5 0 "[ . 1 . 2]" 1
435 1 22 ASP HA 1 26 THR HB . . 4.870 4.621 4.557 4.697 . 0 0 "[ . 1 . 2]" 1
436 1 22 ASP HA 1 26 THR MG . . 5.500 5.509 5.501 5.532 0.032 19 0 "[ . 1 . 2]" 1
437 1 22 ASP HB2 1 23 ALA H . . 4.020 3.443 2.845 3.795 . 0 0 "[ . 1 . 2]" 1
438 1 22 ASP HB2 1 38 TYR QE . . 4.050 3.512 2.637 4.048 . 0 0 "[ . 1 . 2]" 1
439 1 22 ASP HB3 1 23 ALA H . . 3.540 2.784 2.478 3.420 . 0 0 "[ . 1 . 2]" 1
440 1 22 ASP HB3 1 23 ALA MB . . 4.860 3.920 3.684 4.343 . 0 0 "[ . 1 . 2]" 1
441 1 22 ASP HB3 1 26 THR MG . . 5.460 5.058 4.611 5.352 . 0 0 "[ . 1 . 2]" 1
442 1 22 ASP HB3 1 38 TYR QD . . 4.940 4.398 3.873 4.938 . 0 0 "[ . 1 . 2]" 1
443 1 22 ASP HB3 1 38 TYR QE . . 3.850 2.547 1.999 3.027 . 0 0 "[ . 1 . 2]" 1
444 1 23 ALA H 1 23 ALA MB . . 2.890 2.123 2.042 2.260 . 0 0 "[ . 1 . 2]" 1
445 1 23 ALA H 1 24 CYS H . . 3.360 2.587 2.491 2.670 . 0 0 "[ . 1 . 2]" 1
446 1 23 ALA H 1 24 CYS HA . . 5.250 5.184 5.101 5.252 0.002 7 0 "[ . 1 . 2]" 1
447 1 23 ALA H 1 24 CYS QB . . 5.340 4.374 4.165 4.594 . 0 0 "[ . 1 . 2]" 1
448 1 23 ALA H 1 25 GLU H . . 4.850 4.106 3.840 4.229 . 0 0 "[ . 1 . 2]" 1
449 1 23 ALA H 1 35 ILE MG . . 4.410 4.367 4.238 4.414 0.004 2 0 "[ . 1 . 2]" 1
450 1 23 ALA H 1 38 TYR QD . . 4.330 3.899 3.566 4.253 . 0 0 "[ . 1 . 2]" 1
451 1 23 ALA H 1 38 TYR QE . . 4.280 3.603 3.326 3.890 . 0 0 "[ . 1 . 2]" 1
452 1 23 ALA H 1 39 VAL MG2 . . 4.900 4.433 4.055 4.654 . 0 0 "[ . 1 . 2]" 1
453 1 23 ALA HA 1 24 CYS HA . . 5.410 4.872 4.775 4.906 . 0 0 "[ . 1 . 2]" 1
454 1 23 ALA HA 1 26 THR H . . 4.110 3.100 3.020 3.448 . 0 0 "[ . 1 . 2]" 1
455 1 23 ALA HA 1 26 THR HB . . 4.010 2.069 1.997 2.727 . 0 0 "[ . 1 . 2]" 1
456 1 23 ALA HA 1 26 THR MG . . 4.590 3.422 3.247 4.005 . 0 0 "[ . 1 . 2]" 1
457 1 23 ALA HA 1 27 LEU H . . 4.070 2.343 2.217 2.582 . 0 0 "[ . 1 . 2]" 1
458 1 23 ALA HA 1 27 LEU HB2 . . 4.480 3.598 3.386 3.738 . 0 0 "[ . 1 . 2]" 1
459 1 23 ALA HA 1 27 LEU HB3 . . 5.220 5.026 4.856 5.098 . 0 0 "[ . 1 . 2]" 1
460 1 23 ALA HA 1 27 LEU MD1 . . 4.110 3.404 2.981 3.643 . 0 0 "[ . 1 . 2]" 1
461 1 23 ALA HA 1 27 LEU MD2 . . 4.950 4.220 4.154 4.330 . 0 0 "[ . 1 . 2]" 1
462 1 23 ALA HA 1 27 LEU HG . . 4.490 2.664 2.563 2.808 . 0 0 "[ . 1 . 2]" 1
463 1 23 ALA HA 1 35 ILE HA . . 5.500 5.014 4.651 5.228 . 0 0 "[ . 1 . 2]" 1
464 1 23 ALA HA 1 38 TYR QD . . 4.700 4.243 3.962 4.478 . 0 0 "[ . 1 . 2]" 1
465 1 23 ALA HA 1 38 TYR QE . . 5.010 4.228 4.000 4.495 . 0 0 "[ . 1 . 2]" 1
466 1 23 ALA MB 1 24 CYS H . . 3.130 2.549 2.332 2.684 . 0 0 "[ . 1 . 2]" 1
467 1 23 ALA MB 1 24 CYS HB2 . . 5.500 4.555 4.254 5.009 . 0 0 "[ . 1 . 2]" 1
468 1 23 ALA MB 1 24 CYS QB . . 4.700 4.130 3.770 4.432 . 0 0 "[ . 1 . 2]" 1
469 1 23 ALA MB 1 24 CYS HB3 . . 5.500 4.789 3.898 5.362 . 0 0 "[ . 1 . 2]" 1
470 1 23 ALA MB 1 25 GLU H . . 4.720 4.436 4.284 4.547 . 0 0 "[ . 1 . 2]" 1
471 1 23 ALA MB 1 26 THR H . . 5.070 4.332 4.253 4.658 . 0 0 "[ . 1 . 2]" 1
472 1 23 ALA MB 1 27 LEU HA . . 5.500 5.193 4.992 5.459 . 0 0 "[ . 1 . 2]" 1
473 1 23 ALA MB 1 27 LEU MD1 . . 3.570 2.185 1.961 2.550 . 0 0 "[ . 1 . 2]" 1
474 1 23 ALA MB 1 28 GLY H . . 4.730 3.978 3.739 4.297 . 0 0 "[ . 1 . 2]" 1
475 1 23 ALA MB 1 35 ILE H . . 4.950 4.585 4.311 4.783 . 0 0 "[ . 1 . 2]" 1
476 1 23 ALA MB 1 35 ILE HA . . 3.370 2.637 2.335 2.846 . 0 0 "[ . 1 . 2]" 1
477 1 23 ALA MB 1 35 ILE HB . . 4.720 4.158 3.946 4.261 . 0 0 "[ . 1 . 2]" 1
478 1 23 ALA MB 1 35 ILE MD . . 3.960 3.215 2.768 3.507 . 0 0 "[ . 1 . 2]" 1
479 1 23 ALA MB 1 35 ILE HG12 . . 3.770 2.118 1.977 2.602 . 0 0 "[ . 1 . 2]" 1
480 1 23 ALA MB 1 35 ILE MG . . 3.060 2.136 1.923 2.466 . 0 0 "[ . 1 . 2]" 1
481 1 23 ALA MB 1 38 TYR H . . 4.830 4.572 4.267 4.706 . 0 0 "[ . 1 . 2]" 1
482 1 23 ALA MB 1 38 TYR HA . . 5.180 4.804 4.540 5.013 . 0 0 "[ . 1 . 2]" 1
483 1 23 ALA MB 1 38 TYR HB2 . . 3.890 3.269 2.894 3.589 . 0 0 "[ . 1 . 2]" 1
484 1 23 ALA MB 1 38 TYR HB3 . . 3.530 2.539 2.212 2.697 . 0 0 "[ . 1 . 2]" 1
485 1 23 ALA MB 1 38 TYR QD . . 3.150 2.464 1.974 2.702 . 0 0 "[ . 1 . 2]" 1
486 1 23 ALA MB 1 38 TYR QE . . 4.090 3.379 3.107 3.609 . 0 0 "[ . 1 . 2]" 1
487 1 23 ALA MB 1 39 VAL H . . 4.490 4.389 4.056 4.494 0.004 16 0 "[ . 1 . 2]" 1
488 1 23 ALA MB 1 39 VAL HA . . 5.500 4.819 4.395 5.003 . 0 0 "[ . 1 . 2]" 1
489 1 23 ALA MB 1 39 VAL HB . . 5.500 5.283 4.852 5.503 0.003 18 0 "[ . 1 . 2]" 1
490 1 23 ALA MB 1 39 VAL MG2 . . 3.390 2.953 2.617 3.148 . 0 0 "[ . 1 . 2]" 1
491 1 24 CYS H 1 24 CYS HB2 . . 3.660 2.726 2.515 3.512 . 0 0 "[ . 1 . 2]" 1
492 1 24 CYS H 1 24 CYS QB . . 2.940 2.329 2.191 2.575 . 0 0 "[ . 1 . 2]" 1
493 1 24 CYS H 1 24 CYS HB3 . . 3.660 2.824 2.214 3.600 . 0 0 "[ . 1 . 2]" 1
494 1 24 CYS H 1 25 GLU HA . . 5.500 5.414 5.225 5.470 . 0 0 "[ . 1 . 2]" 1
495 1 24 CYS H 1 26 THR HB . . 5.500 4.997 4.876 5.386 . 0 0 "[ . 1 . 2]" 1
496 1 24 CYS H 1 27 LEU H . . 5.150 4.782 4.712 4.873 . 0 0 "[ . 1 . 2]" 1
497 1 24 CYS H 1 27 LEU HB2 . . 5.500 5.231 5.082 5.346 . 0 0 "[ . 1 . 2]" 1
498 1 24 CYS H 1 29 LEU MD1 . . 5.500 5.498 5.423 5.512 0.012 20 0 "[ . 1 . 2]" 1
499 1 24 CYS H 1 35 ILE MD . . 4.480 3.891 3.591 4.340 . 0 0 "[ . 1 . 2]" 1
500 1 24 CYS H 1 35 ILE MG . . 4.300 3.698 3.413 4.056 . 0 0 "[ . 1 . 2]" 1
501 1 24 CYS H 1 52 TYR QE . . 5.500 5.482 5.205 5.520 0.020 16 0 "[ . 1 . 2]" 1
502 1 24 CYS HA 1 26 THR H . . 4.860 4.613 4.497 4.897 0.037 20 0 "[ . 1 . 2]" 1
503 1 24 CYS HA 1 27 LEU H . . 4.870 4.828 4.724 4.876 0.006 20 0 "[ . 1 . 2]" 1
504 1 24 CYS HA 1 27 LEU HB2 . . 4.850 4.588 4.235 4.664 . 0 0 "[ . 1 . 2]" 1
505 1 24 CYS HA 1 28 GLY H . . 3.870 3.164 2.944 3.271 . 0 0 "[ . 1 . 2]" 1
506 1 24 CYS HA 1 29 LEU MD1 . . 4.130 3.979 3.894 4.101 . 0 0 "[ . 1 . 2]" 1
507 1 24 CYS HA 1 29 LEU HG . . 4.430 2.506 2.379 2.713 . 0 0 "[ . 1 . 2]" 1
508 1 24 CYS HA 1 35 ILE MD . . 3.520 2.457 2.052 2.922 . 0 0 "[ . 1 . 2]" 1
509 1 24 CYS HA 1 35 ILE HG12 . . 4.430 3.658 3.183 4.195 . 0 0 "[ . 1 . 2]" 1
510 1 24 CYS HA 1 35 ILE HG13 . . 5.180 4.732 4.207 5.135 . 0 0 "[ . 1 . 2]" 1
511 1 24 CYS HA 1 35 ILE MG . . 4.960 4.104 3.760 4.404 . 0 0 "[ . 1 . 2]" 1
512 1 24 CYS QB 1 25 GLU H . . 3.450 2.727 2.587 3.467 0.017 20 0 "[ . 1 . 2]" 1
513 1 24 CYS QB 1 25 GLU QB . . 4.520 4.201 3.861 4.565 0.045 20 0 "[ . 1 . 2]" 1
514 1 24 CYS QB 1 26 THR H . . 5.340 4.631 4.518 5.314 . 0 0 "[ . 1 . 2]" 1
515 1 24 CYS QB 1 28 GLY H . . 5.340 4.874 4.651 4.973 . 0 0 "[ . 1 . 2]" 1
516 1 24 CYS QB 1 29 LEU MD1 . . 3.530 2.782 2.314 3.127 . 0 0 "[ . 1 . 2]" 1
517 1 24 CYS QB 1 29 LEU MD2 . . 4.690 2.429 1.958 3.175 . 0 0 "[ . 1 . 2]" 1
518 1 24 CYS QB 1 29 LEU HG . . 5.070 2.487 1.983 2.782 . 0 0 "[ . 1 . 2]" 1
519 1 24 CYS HB2 1 52 TYR QE . . 4.380 3.646 3.302 3.908 . 0 0 "[ . 1 . 2]" 1
520 1 24 CYS HB3 1 52 TYR QE . . 4.380 3.885 3.383 4.101 . 0 0 "[ . 1 . 2]" 1
521 1 25 GLU H 1 25 GLU HB2 . . 3.660 2.470 2.233 3.660 . 0 0 "[ . 1 . 2]" 1
522 1 25 GLU H 1 25 GLU QB . . 3.020 2.335 2.209 2.682 . 0 0 "[ . 1 . 2]" 1
523 1 25 GLU H 1 25 GLU HB3 . . 3.660 3.484 2.498 3.646 . 0 0 "[ . 1 . 2]" 1
524 1 25 GLU H 1 25 GLU HG2 . . 4.250 3.179 1.982 4.231 . 0 0 "[ . 1 . 2]" 1
525 1 25 GLU H 1 25 GLU QG . . 3.570 2.811 1.970 3.562 . 0 0 "[ . 1 . 2]" 1
526 1 25 GLU H 1 25 GLU HG3 . . 4.250 3.601 2.494 4.172 . 0 0 "[ . 1 . 2]" 1
527 1 25 GLU H 1 26 THR H . . 3.180 2.231 2.214 2.312 . 0 0 "[ . 1 . 2]" 1
528 1 25 GLU H 1 26 THR MG . . 5.500 5.530 5.508 5.579 0.079 19 0 "[ . 1 . 2]" 1
529 1 25 GLU H 1 27 LEU H . . 4.690 4.468 4.187 4.532 . 0 0 "[ . 1 . 2]" 1
530 1 25 GLU H 1 28 GLY H . . 4.370 4.326 4.027 4.373 0.003 17 0 "[ . 1 . 2]" 1
531 1 25 GLU HA 1 25 GLU HG2 . . 4.100 2.816 2.241 3.801 . 0 0 "[ . 1 . 2]" 1
532 1 25 GLU HA 1 25 GLU QG . . 3.430 2.636 2.204 3.338 . 0 0 "[ . 1 . 2]" 1
533 1 25 GLU HA 1 25 GLU HG3 . . 4.100 3.446 2.548 3.840 . 0 0 "[ . 1 . 2]" 1
534 1 25 GLU QB 1 26 THR H . . 3.300 2.877 2.741 3.335 0.035 19 0 "[ . 1 . 2]" 1
535 1 25 GLU QB 1 26 THR HA . . 4.850 3.990 3.900 4.538 . 0 0 "[ . 1 . 2]" 1
536 1 25 GLU HB2 1 26 THR H . . 3.830 3.023 2.809 3.890 0.060 20 0 "[ . 1 . 2]" 1
537 1 25 GLU HB3 1 26 THR H . . 3.830 3.698 3.491 3.833 0.003 13 0 "[ . 1 . 2]" 1
538 1 25 GLU QG 1 26 THR H . . 4.570 4.084 1.935 4.576 0.006 10 0 "[ . 1 . 2]" 1
539 1 26 THR H 1 26 THR HB . . 3.440 2.391 2.359 2.428 . 0 0 "[ . 1 . 2]" 1
540 1 26 THR H 1 26 THR MG . . 3.970 3.738 3.721 3.755 . 0 0 "[ . 1 . 2]" 1
541 1 26 THR H 1 27 LEU H . . 3.190 2.837 2.765 2.897 . 0 0 "[ . 1 . 2]" 1
542 1 26 THR H 1 27 LEU HA . . 5.400 5.308 5.253 5.380 . 0 0 "[ . 1 . 2]" 1
543 1 26 THR H 1 27 LEU HB2 . . 5.070 5.010 4.920 5.072 0.002 13 0 "[ . 1 . 2]" 1
544 1 26 THR H 1 27 LEU MD2 . . 5.500 5.475 5.401 5.502 0.002 8 0 "[ . 1 . 2]" 1
545 1 26 THR H 1 27 LEU HG . . 5.500 4.755 4.663 4.863 . 0 0 "[ . 1 . 2]" 1
546 1 26 THR H 1 28 GLY H . . 4.350 3.751 3.666 3.885 . 0 0 "[ . 1 . 2]" 1
547 1 26 THR HA 1 26 THR MG . . 3.160 2.478 2.431 2.519 . 0 0 "[ . 1 . 2]" 1
548 1 26 THR HA 1 27 LEU HA . . 4.920 4.657 4.647 4.679 . 0 0 "[ . 1 . 2]" 1
549 1 26 THR HB 1 27 LEU H . . 3.240 2.106 2.077 2.168 . 0 0 "[ . 1 . 2]" 1
550 1 26 THR HB 1 27 LEU HA . . 4.630 4.476 4.409 4.528 . 0 0 "[ . 1 . 2]" 1
551 1 26 THR HB 1 27 LEU HB2 . . 5.200 4.439 4.381 4.514 . 0 0 "[ . 1 . 2]" 1
552 1 26 THR HB 1 27 LEU MD1 . . 5.060 4.438 4.320 4.548 . 0 0 "[ . 1 . 2]" 1
553 1 26 THR HB 1 27 LEU MD2 . . 4.610 3.938 3.829 4.040 . 0 0 "[ . 1 . 2]" 1
554 1 26 THR HB 1 27 LEU HG . . 4.030 3.055 2.965 3.154 . 0 0 "[ . 1 . 2]" 1
555 1 26 THR HB 1 38 TYR QE . . 5.110 4.690 4.261 4.945 . 0 0 "[ . 1 . 2]" 1
556 1 26 THR MG 1 27 LEU H . . 3.820 2.577 2.445 2.802 . 0 0 "[ . 1 . 2]" 1
557 1 26 THR MG 1 27 LEU HA . . 4.230 3.043 2.952 3.260 . 0 0 "[ . 1 . 2]" 1
558 1 26 THR MG 1 27 LEU MD1 . . 4.610 3.900 3.719 4.148 . 0 0 "[ . 1 . 2]" 1
559 1 26 THR MG 1 27 LEU MD2 . . 3.590 2.259 2.079 2.596 . 0 0 "[ . 1 . 2]" 1
560 1 26 THR MG 1 27 LEU HG . . 4.210 2.636 2.369 2.969 . 0 0 "[ . 1 . 2]" 1
561 1 26 THR MG 1 28 GLY H . . 5.500 4.650 4.539 4.814 . 0 0 "[ . 1 . 2]" 1
562 1 26 THR MG 1 38 TYR QE . . 4.220 3.667 3.160 4.153 . 0 0 "[ . 1 . 2]" 1
563 1 27 LEU H 1 27 LEU HB2 . . 3.170 2.538 2.493 2.589 . 0 0 "[ . 1 . 2]" 1
564 1 27 LEU H 1 27 LEU HB3 . . 3.750 3.599 3.593 3.603 . 0 0 "[ . 1 . 2]" 1
565 1 27 LEU H 1 27 LEU MD1 . . 3.890 3.611 3.505 3.700 . 0 0 "[ . 1 . 2]" 1
566 1 27 LEU H 1 27 LEU MD2 . . 3.840 3.240 3.150 3.320 . 0 0 "[ . 1 . 2]" 1
567 1 27 LEU H 1 27 LEU HG . . 3.110 2.208 2.108 2.300 . 0 0 "[ . 1 . 2]" 1
568 1 27 LEU H 1 28 GLY H . . 3.100 2.564 2.526 2.618 . 0 0 "[ . 1 . 2]" 1
569 1 27 LEU H 1 28 GLY HA2 . . 5.030 4.782 4.754 4.827 . 0 0 "[ . 1 . 2]" 1
570 1 27 LEU H 1 35 ILE MD . . 5.500 5.178 4.696 5.505 0.005 10 0 "[ . 1 . 2]" 1
571 1 27 LEU HA 1 27 LEU MD1 . . 4.420 3.893 3.867 3.929 . 0 0 "[ . 1 . 2]" 1
572 1 27 LEU HA 1 27 LEU MD2 . . 2.990 2.153 1.977 2.276 . 0 0 "[ . 1 . 2]" 1
573 1 27 LEU HA 1 27 LEU HG . . 4.040 3.194 3.164 3.226 . 0 0 "[ . 1 . 2]" 1
574 1 27 LEU HB2 1 27 LEU MD1 . . 3.470 2.296 2.204 2.389 . 0 0 "[ . 1 . 2]" 1
575 1 27 LEU HB2 1 28 GLY H . . 3.820 2.509 2.483 2.569 . 0 0 "[ . 1 . 2]" 1
576 1 27 LEU HB2 1 35 ILE H . . 5.150 4.531 4.026 4.951 . 0 0 "[ . 1 . 2]" 1
577 1 27 LEU HB2 1 35 ILE HA . . 5.500 3.905 3.438 4.064 . 0 0 "[ . 1 . 2]" 1
578 1 27 LEU HB2 1 35 ILE MD . . 4.310 3.817 3.383 4.193 . 0 0 "[ . 1 . 2]" 1
579 1 27 LEU HB2 1 35 ILE HG12 . . 4.530 2.850 2.483 3.331 . 0 0 "[ . 1 . 2]" 1
580 1 27 LEU HB3 1 27 LEU MD1 . . 3.570 2.371 2.263 2.464 . 0 0 "[ . 1 . 2]" 1
581 1 27 LEU HB3 1 27 LEU MD2 . . 3.380 2.324 2.253 2.414 . 0 0 "[ . 1 . 2]" 1
582 1 27 LEU HB3 1 28 GLY H . . 4.150 3.666 3.622 3.730 . 0 0 "[ . 1 . 2]" 1
583 1 27 LEU HB3 1 34 ASP QB . . 4.910 2.789 2.373 3.338 . 0 0 "[ . 1 . 2]" 1
584 1 27 LEU HB3 1 35 ILE MD . . 5.130 4.792 4.403 5.132 0.002 16 0 "[ . 1 . 2]" 1
585 1 27 LEU MD1 1 28 GLY H . . 4.950 4.385 4.311 4.462 . 0 0 "[ . 1 . 2]" 1
586 1 27 LEU MD1 1 34 ASP H . . 5.130 4.641 4.262 5.048 . 0 0 "[ . 1 . 2]" 1
587 1 27 LEU MD1 1 34 ASP HA . . 5.100 3.800 3.484 4.224 . 0 0 "[ . 1 . 2]" 1
588 1 27 LEU MD1 1 34 ASP HB2 . . 3.970 3.241 2.777 3.845 . 0 0 "[ . 1 . 2]" 1
589 1 27 LEU MD1 1 34 ASP QB . . 3.380 2.214 1.926 2.637 . 0 0 "[ . 1 . 2]" 1
590 1 27 LEU MD1 1 34 ASP HB3 . . 3.970 2.264 1.957 2.689 . 0 0 "[ . 1 . 2]" 1
591 1 27 LEU MD1 1 35 ILE H . . 4.480 3.301 2.961 3.728 . 0 0 "[ . 1 . 2]" 1
592 1 27 LEU MD1 1 35 ILE HA . . 3.510 2.178 1.974 2.526 . 0 0 "[ . 1 . 2]" 1
593 1 27 LEU MD1 1 35 ILE MD . . 4.530 4.175 3.884 4.510 . 0 0 "[ . 1 . 2]" 1
594 1 27 LEU MD1 1 35 ILE HG13 . . 4.560 3.242 2.798 3.835 . 0 0 "[ . 1 . 2]" 1
595 1 27 LEU MD1 1 35 ILE MG . . 4.470 3.631 3.405 4.012 . 0 0 "[ . 1 . 2]" 1
596 1 27 LEU MD1 1 38 TYR H . . 4.240 3.727 3.405 3.947 . 0 0 "[ . 1 . 2]" 1
597 1 27 LEU MD1 1 38 TYR HA . . 5.100 4.096 3.989 4.335 . 0 0 "[ . 1 . 2]" 1
598 1 27 LEU MD1 1 38 TYR HB2 . . 3.750 2.022 1.897 2.276 . 0 0 "[ . 1 . 2]" 1
599 1 27 LEU MD1 1 38 TYR HB3 . . 4.260 2.729 2.350 3.164 . 0 0 "[ . 1 . 2]" 1
600 1 27 LEU MD1 1 38 TYR QD . . 3.780 2.561 2.240 2.828 . 0 0 "[ . 1 . 2]" 1
601 1 27 LEU MD1 1 38 TYR QE . . 4.520 4.050 3.781 4.324 . 0 0 "[ . 1 . 2]" 1
602 1 27 LEU MD2 1 28 GLY H . . 4.660 4.622 4.575 4.654 . 0 0 "[ . 1 . 2]" 1
603 1 27 LEU MD2 1 34 ASP HB2 . . 4.600 4.307 3.811 4.603 0.003 8 0 "[ . 1 . 2]" 1
604 1 27 LEU MD2 1 34 ASP QB . . 3.940 3.187 2.562 3.737 . 0 0 "[ . 1 . 2]" 1
605 1 27 LEU MD2 1 34 ASP HB3 . . 4.600 3.292 2.604 3.953 . 0 0 "[ . 1 . 2]" 1
606 1 27 LEU MD2 1 35 ILE HA . . 5.500 4.845 4.570 5.177 . 0 0 "[ . 1 . 2]" 1
607 1 27 LEU MD2 1 38 TYR HB2 . . 4.820 4.020 3.810 4.395 . 0 0 "[ . 1 . 2]" 1
608 1 27 LEU MD2 1 38 TYR QD . . 4.340 3.332 2.959 3.669 . 0 0 "[ . 1 . 2]" 1
609 1 27 LEU MD2 1 38 TYR QE . . 4.830 4.037 3.473 4.369 . 0 0 "[ . 1 . 2]" 1
610 1 27 LEU HG 1 28 GLY H . . 5.080 4.158 4.089 4.238 . 0 0 "[ . 1 . 2]" 1
611 1 28 GLY H 1 29 LEU H . . 4.070 3.744 3.482 4.094 0.024 19 0 "[ . 1 . 2]" 1
612 1 28 GLY H 1 35 ILE MD . . 4.930 3.690 3.258 4.011 . 0 0 "[ . 1 . 2]" 1
613 1 28 GLY H 1 35 ILE HG13 . . 5.500 4.532 4.144 4.983 . 0 0 "[ . 1 . 2]" 1
614 1 28 GLY HA2 1 29 LEU H . . 3.060 2.165 2.142 2.220 . 0 0 "[ . 1 . 2]" 1
615 1 28 GLY HA2 1 29 LEU HB2 . . 4.830 4.473 4.435 4.600 . 0 0 "[ . 1 . 2]" 1
616 1 28 GLY HA2 1 29 LEU MD1 . . 5.260 4.986 4.700 5.217 . 0 0 "[ . 1 . 2]" 1
617 1 28 GLY HA2 1 29 LEU HG . . 4.900 4.139 3.914 4.289 . 0 0 "[ . 1 . 2]" 1
618 1 28 GLY HA3 1 29 LEU H . . 3.350 3.209 2.997 3.351 0.001 11 0 "[ . 1 . 2]" 1
619 1 28 GLY HA3 1 29 LEU HB2 . . 5.500 5.244 5.144 5.324 . 0 0 "[ . 1 . 2]" 1
620 1 28 GLY HA3 1 29 LEU HG . . 5.500 5.470 5.252 5.506 0.006 7 0 "[ . 1 . 2]" 1
621 1 28 GLY HA3 1 30 GLY H . . 5.040 3.331 2.921 3.620 . 0 0 "[ . 1 . 2]" 1
622 1 29 LEU H 1 29 LEU HB2 . . 2.870 2.436 2.250 2.584 . 0 0 "[ . 1 . 2]" 1
623 1 29 LEU H 1 29 LEU HB3 . . 3.900 3.578 3.535 3.612 . 0 0 "[ . 1 . 2]" 1
624 1 29 LEU H 1 29 LEU MD1 . . 3.940 3.440 3.189 3.600 . 0 0 "[ . 1 . 2]" 1
625 1 29 LEU H 1 29 LEU MD2 . . 4.320 3.637 3.225 4.080 . 0 0 "[ . 1 . 2]" 1
626 1 29 LEU H 1 29 LEU HG . . 3.580 2.418 2.151 2.879 . 0 0 "[ . 1 . 2]" 1
627 1 29 LEU H 1 30 GLY H . . 3.660 2.728 2.476 2.932 . 0 0 "[ . 1 . 2]" 1
628 1 29 LEU HA 1 29 LEU MD1 . . 3.920 3.873 3.835 3.919 . 0 0 "[ . 1 . 2]" 1
629 1 29 LEU HA 1 29 LEU MD2 . . 4.210 2.212 2.006 2.485 . 0 0 "[ . 1 . 2]" 1
630 1 29 LEU HA 1 31 ASN H . . 4.290 3.698 3.562 4.132 . 0 0 "[ . 1 . 2]" 1
631 1 29 LEU HA 1 32 TRP HZ2 . . 5.500 4.957 4.689 5.249 . 0 0 "[ . 1 . 2]" 1
632 1 29 LEU HA 1 35 ILE MD . . 3.420 1.815 1.770 1.887 . 0 0 "[ . 1 . 2]" 1
633 1 29 LEU HB2 1 29 LEU MD1 . . 3.470 2.136 2.014 2.267 . 0 0 "[ . 1 . 2]" 1
634 1 29 LEU HB2 1 29 LEU MD2 . . 3.620 3.164 3.137 3.191 . 0 0 "[ . 1 . 2]" 1
635 1 29 LEU HB2 1 30 GLY H . . 4.440 2.999 2.786 3.728 . 0 0 "[ . 1 . 2]" 1
636 1 29 LEU HB2 1 32 TRP HZ2 . . 5.500 4.991 4.545 5.406 . 0 0 "[ . 1 . 2]" 1
637 1 29 LEU HB3 1 29 LEU MD2 . . 3.620 2.242 2.081 2.319 . 0 0 "[ . 1 . 2]" 1
638 1 29 LEU HB3 1 32 TRP HE1 . . 4.700 3.942 3.503 4.320 . 0 0 "[ . 1 . 2]" 1
639 1 29 LEU HB3 1 32 TRP HZ2 . . 4.260 3.399 2.935 3.880 . 0 0 "[ . 1 . 2]" 1
640 1 29 LEU HB3 1 35 ILE MD . . 4.470 3.672 3.599 3.806 . 0 0 "[ . 1 . 2]" 1
641 1 29 LEU MD1 1 30 GLY H . . 5.280 4.689 4.528 5.205 . 0 0 "[ . 1 . 2]" 1
642 1 29 LEU MD1 1 32 TRP HE1 . . 5.450 5.189 4.699 5.465 0.015 16 0 "[ . 1 . 2]" 1
643 1 29 LEU MD1 1 32 TRP HH2 . . 4.000 3.570 2.777 3.953 . 0 0 "[ . 1 . 2]" 1
644 1 29 LEU MD1 1 32 TRP HZ2 . . 3.960 3.479 2.923 3.901 . 0 0 "[ . 1 . 2]" 1
645 1 29 LEU MD1 1 32 TRP HZ3 . . 5.240 5.048 4.365 5.246 0.006 16 0 "[ . 1 . 2]" 1
646 1 29 LEU MD1 1 35 ILE MD . . 4.220 4.112 3.967 4.228 0.008 18 0 "[ . 1 . 2]" 1
647 1 29 LEU MD1 1 52 TYR QD . . 4.550 3.843 3.323 4.313 . 0 0 "[ . 1 . 2]" 1
648 1 29 LEU MD1 1 52 TYR QE . . 4.060 3.332 2.912 3.720 . 0 0 "[ . 1 . 2]" 1
649 1 29 LEU MD1 1 53 LEU MD2 . . 4.530 4.271 3.638 4.535 0.005 19 0 "[ . 1 . 2]" 1
650 1 29 LEU MD2 1 30 GLY H . . 5.190 4.837 4.723 4.987 . 0 0 "[ . 1 . 2]" 1
651 1 29 LEU MD2 1 32 TRP HB3 . . 5.500 5.368 5.193 5.511 0.011 7 0 "[ . 1 . 2]" 1
652 1 29 LEU MD2 1 32 TRP HH2 . . 4.710 2.063 1.938 2.425 . 0 0 "[ . 1 . 2]" 1
653 1 29 LEU MD2 1 32 TRP HZ2 . . 4.110 2.615 2.280 3.144 . 0 0 "[ . 1 . 2]" 1
654 1 29 LEU MD2 1 52 TYR QD . . 3.950 3.378 3.013 3.720 . 0 0 "[ . 1 . 2]" 1
655 1 29 LEU MD2 1 52 TYR QE . . 4.030 3.748 3.387 4.023 . 0 0 "[ . 1 . 2]" 1
656 1 29 LEU HG 1 52 TYR QE . . 5.380 5.103 4.670 5.377 . 0 0 "[ . 1 . 2]" 1
657 1 30 GLY H 1 31 ASN H . . 3.440 2.936 2.719 3.087 . 0 0 "[ . 1 . 2]" 1
658 1 30 GLY H 1 35 ILE MD . . 5.290 4.376 4.111 4.584 . 0 0 "[ . 1 . 2]" 1
659 1 31 ASN H 1 31 ASN HB2 . . 3.490 2.937 2.350 3.195 . 0 0 "[ . 1 . 2]" 1
660 1 31 ASN H 1 31 ASN QB . . 3.050 2.583 2.318 2.725 . 0 0 "[ . 1 . 2]" 1
661 1 31 ASN H 1 31 ASN HB3 . . 3.490 2.919 2.695 3.536 0.046 17 0 "[ . 1 . 2]" 1
662 1 31 ASN H 1 35 ILE MD . . 4.160 3.751 3.295 4.142 . 0 0 "[ . 1 . 2]" 1
663 1 31 ASN HA 1 31 ASN QD . . 4.620 3.560 2.858 3.999 . 0 0 "[ . 1 . 2]" 1
664 1 31 ASN QB 1 31 ASN QD . . 2.850 2.151 2.063 2.213 . 0 0 "[ . 1 . 2]" 1
665 1 31 ASN QB 1 33 ALA H . . 5.050 4.339 3.882 4.759 . 0 0 "[ . 1 . 2]" 1
666 1 31 ASN QB 1 33 ALA MB . . 5.030 4.065 3.485 4.439 . 0 0 "[ . 1 . 2]" 1
667 1 31 ASN QB 1 34 ASP H . . 4.040 3.321 2.825 3.650 . 0 0 "[ . 1 . 2]" 1
668 1 31 ASN QB 1 34 ASP QB . . 3.750 2.904 2.619 3.374 . 0 0 "[ . 1 . 2]" 1
669 1 31 ASN QB 1 35 ILE H . . 5.000 4.441 4.186 4.786 . 0 0 "[ . 1 . 2]" 1
670 1 31 ASN HB2 1 31 ASN HD22 . . 4.060 3.707 3.433 4.051 . 0 0 "[ . 1 . 2]" 1
671 1 31 ASN HB3 1 31 ASN HD22 . . 4.060 3.659 3.437 4.041 . 0 0 "[ . 1 . 2]" 1
672 1 31 ASN QD 1 33 ALA H . . 5.340 4.134 3.088 4.757 . 0 0 "[ . 1 . 2]" 1
673 1 31 ASN QD 1 33 ALA MB . . 3.980 2.753 1.814 3.318 . 0 0 "[ . 1 . 2]" 1
674 1 31 ASN QD 1 34 ASP H . . 4.760 3.452 1.788 4.645 . 0 0 "[ . 1 . 2]" 1
675 1 31 ASN HD21 1 33 ALA MB . . 4.700 3.717 2.391 4.558 . 0 0 "[ . 1 . 2]" 1
676 1 31 ASN HD22 1 33 ALA MB . . 4.700 2.900 1.879 4.330 . 0 0 "[ . 1 . 2]" 1
677 1 32 TRP H 1 32 TRP HD1 . . 5.250 2.728 2.570 3.000 . 0 0 "[ . 1 . 2]" 1
678 1 32 TRP HA 1 32 TRP HE3 . . 3.480 2.833 2.588 2.976 . 0 0 "[ . 1 . 2]" 1
679 1 32 TRP HA 1 32 TRP HZ3 . . 5.250 4.938 4.710 5.067 . 0 0 "[ . 1 . 2]" 1
680 1 32 TRP HA 1 35 ILE H . . 3.520 3.034 2.933 3.347 . 0 0 "[ . 1 . 2]" 1
681 1 32 TRP HA 1 35 ILE HA . . 5.400 4.962 4.865 5.197 . 0 0 "[ . 1 . 2]" 1
682 1 32 TRP HA 1 35 ILE HB . . 3.150 2.434 2.315 2.565 . 0 0 "[ . 1 . 2]" 1
683 1 32 TRP HA 1 35 ILE MD . . 3.550 2.263 2.053 2.531 . 0 0 "[ . 1 . 2]" 1
684 1 32 TRP HA 1 35 ILE HG12 . . 4.660 4.278 4.121 4.605 . 0 0 "[ . 1 . 2]" 1
685 1 32 TRP HA 1 35 ILE HG13 . . 4.300 2.965 2.650 3.243 . 0 0 "[ . 1 . 2]" 1
686 1 32 TRP HA 1 35 ILE MG . . 4.290 3.871 3.744 4.016 . 0 0 "[ . 1 . 2]" 1
687 1 32 TRP HA 1 36 ALA H . . 4.730 3.909 3.794 4.108 . 0 0 "[ . 1 . 2]" 1
688 1 32 TRP HA 1 36 ALA MB . . 4.970 4.786 4.604 4.909 . 0 0 "[ . 1 . 2]" 1
689 1 32 TRP HB2 1 32 TRP HE1 . . 5.030 4.767 4.755 4.775 . 0 0 "[ . 1 . 2]" 1
690 1 32 TRP HB2 1 33 ALA H . . 4.330 2.716 2.465 2.830 . 0 0 "[ . 1 . 2]" 1
691 1 32 TRP HB2 1 35 ILE HB . . 5.250 4.970 4.857 5.246 . 0 0 "[ . 1 . 2]" 1
692 1 32 TRP HB2 1 45 LYS HA . . 4.380 3.908 3.723 4.083 . 0 0 "[ . 1 . 2]" 1
693 1 32 TRP HB2 1 45 LYS HB2 . . 4.090 2.708 2.420 3.057 . 0 0 "[ . 1 . 2]" 1
694 1 32 TRP HB2 1 45 LYS HB3 . . 4.000 3.887 3.714 4.002 0.002 17 0 "[ . 1 . 2]" 1
695 1 32 TRP HB2 1 49 ARG H . . 5.490 5.433 5.161 5.498 0.008 9 0 "[ . 1 . 2]" 1
696 1 32 TRP HB2 1 49 ARG HB2 . . 5.030 3.543 3.412 3.681 . 0 0 "[ . 1 . 2]" 1
697 1 32 TRP HB2 1 49 ARG HB3 . . 5.130 5.077 4.947 5.140 0.010 16 0 "[ . 1 . 2]" 1
698 1 32 TRP HB3 1 32 TRP HD1 . . 3.860 3.748 3.687 3.780 . 0 0 "[ . 1 . 2]" 1
699 1 32 TRP HB3 1 33 ALA H . . 3.950 3.621 3.459 3.708 . 0 0 "[ . 1 . 2]" 1
700 1 32 TRP HB3 1 33 ALA HA . . 4.660 4.392 4.316 4.470 . 0 0 "[ . 1 . 2]" 1
701 1 32 TRP HB3 1 35 ILE MG . . 5.050 4.643 4.506 4.930 . 0 0 "[ . 1 . 2]" 1
702 1 32 TRP HB3 1 36 ALA H . . 4.640 4.224 4.049 4.356 . 0 0 "[ . 1 . 2]" 1
703 1 32 TRP HB3 1 36 ALA MB . . 4.080 3.962 3.784 4.081 0.001 5 0 "[ . 1 . 2]" 1
704 1 32 TRP HB3 1 45 LYS HA . . 4.200 2.555 2.392 2.794 . 0 0 "[ . 1 . 2]" 1
705 1 32 TRP HB3 1 45 LYS HB2 . . 4.120 2.658 1.985 3.020 . 0 0 "[ . 1 . 2]" 1
706 1 32 TRP HB3 1 45 LYS HB3 . . 3.850 3.426 3.046 3.621 . 0 0 "[ . 1 . 2]" 1
707 1 32 TRP HB3 1 45 LYS HD2 . . 5.500 5.190 4.120 5.485 . 0 0 "[ . 1 . 2]" 1
708 1 32 TRP HB3 1 45 LYS HD3 . . 5.500 5.315 5.061 5.535 0.035 9 0 "[ . 1 . 2]" 1
709 1 32 TRP HB3 1 48 CYS HB2 . . 4.330 4.132 3.740 4.317 . 0 0 "[ . 1 . 2]" 1
710 1 32 TRP HB3 1 49 ARG H . . 4.260 4.161 4.003 4.253 . 0 0 "[ . 1 . 2]" 1
711 1 32 TRP HB3 1 49 ARG HA . . 4.830 4.254 4.070 4.535 . 0 0 "[ . 1 . 2]" 1
712 1 32 TRP HB3 1 49 ARG HB3 . . 5.040 4.539 4.374 4.764 . 0 0 "[ . 1 . 2]" 1
713 1 32 TRP HD1 1 49 ARG HB2 . . 5.300 3.770 3.255 4.023 . 0 0 "[ . 1 . 2]" 1
714 1 32 TRP HD1 1 49 ARG HD2 . . 4.570 3.358 2.234 4.575 0.005 13 0 "[ . 1 . 2]" 1
715 1 32 TRP HD1 1 49 ARG QD . . 4.000 2.962 2.217 4.017 0.017 7 0 "[ . 1 . 2]" 1
716 1 32 TRP HD1 1 49 ARG HD3 . . 4.570 3.823 2.522 4.574 0.004 16 0 "[ . 1 . 2]" 1
717 1 32 TRP HD1 1 49 ARG QG . . 5.090 3.688 3.301 4.177 . 0 0 "[ . 1 . 2]" 1
718 1 32 TRP HE1 1 49 ARG HA . . 5.150 4.271 3.745 4.718 . 0 0 "[ . 1 . 2]" 1
719 1 32 TRP HE1 1 49 ARG HB2 . . 4.840 4.152 3.491 4.467 . 0 0 "[ . 1 . 2]" 1
720 1 32 TRP HE1 1 49 ARG HB3 . . 5.500 5.346 4.776 5.504 0.004 19 0 "[ . 1 . 2]" 1
721 1 32 TRP HE1 1 49 ARG HD2 . . 4.730 3.609 2.569 4.747 0.017 13 0 "[ . 1 . 2]" 1
722 1 32 TRP HE1 1 49 ARG QD . . 3.980 3.285 2.546 3.926 . 0 0 "[ . 1 . 2]" 1
723 1 32 TRP HE1 1 49 ARG HD3 . . 4.730 4.193 3.099 4.730 0.000 17 0 "[ . 1 . 2]" 1
724 1 32 TRP HE1 1 49 ARG QG . . 3.800 2.647 2.081 3.060 . 0 0 "[ . 1 . 2]" 1
725 1 32 TRP HE1 1 53 LEU MD1 . . 4.930 3.764 3.250 4.165 . 0 0 "[ . 1 . 2]" 1
726 1 32 TRP HE1 1 53 LEU HG . . 5.500 5.026 4.539 5.492 . 0 0 "[ . 1 . 2]" 1
727 1 32 TRP HE3 1 35 ILE HB . . 3.470 2.675 2.324 2.873 . 0 0 "[ . 1 . 2]" 1
728 1 32 TRP HE3 1 35 ILE MD . . 4.020 2.598 2.187 2.903 . 0 0 "[ . 1 . 2]" 1
729 1 32 TRP HE3 1 35 ILE HG13 . . 4.850 4.541 4.052 4.778 . 0 0 "[ . 1 . 2]" 1
730 1 32 TRP HE3 1 35 ILE MG . . 3.550 2.752 2.548 2.897 . 0 0 "[ . 1 . 2]" 1
731 1 32 TRP HE3 1 36 ALA MB . . 5.400 4.782 4.576 4.973 . 0 0 "[ . 1 . 2]" 1
732 1 32 TRP HE3 1 45 LYS HA . . 4.940 3.826 3.452 4.105 . 0 0 "[ . 1 . 2]" 1
733 1 32 TRP HE3 1 48 CYS HB2 . . 3.950 3.352 2.964 3.635 . 0 0 "[ . 1 . 2]" 1
734 1 32 TRP HE3 1 48 CYS HB3 . . 3.910 3.185 2.914 3.671 . 0 0 "[ . 1 . 2]" 1
735 1 32 TRP HH2 1 35 ILE MD . . 5.090 4.139 3.791 4.303 . 0 0 "[ . 1 . 2]" 1
736 1 32 TRP HH2 1 35 ILE MG . . 5.190 4.928 4.586 5.187 . 0 0 "[ . 1 . 2]" 1
737 1 32 TRP HH2 1 49 ARG HA . . 4.350 3.282 3.036 3.447 . 0 0 "[ . 1 . 2]" 1
738 1 32 TRP HH2 1 52 TYR H . . 4.480 4.105 3.812 4.338 . 0 0 "[ . 1 . 2]" 1
739 1 32 TRP HH2 1 52 TYR QB . . 3.470 1.972 1.854 2.133 . 0 0 "[ . 1 . 2]" 1
740 1 32 TRP HH2 1 52 TYR QD . . 3.770 3.262 3.065 3.439 . 0 0 "[ . 1 . 2]" 1
741 1 32 TRP HH2 1 53 LEU H . . 4.840 4.453 4.119 4.836 . 0 0 "[ . 1 . 2]" 1
742 1 32 TRP HH2 1 53 LEU MD2 . . 5.500 4.683 4.071 5.201 . 0 0 "[ . 1 . 2]" 1
743 1 32 TRP HH2 1 53 LEU HG . . 5.040 4.052 3.532 4.552 . 0 0 "[ . 1 . 2]" 1
744 1 32 TRP HZ2 1 35 ILE MD . . 5.290 4.730 4.559 4.990 . 0 0 "[ . 1 . 2]" 1
745 1 32 TRP HZ2 1 49 ARG HA . . 4.290 3.451 2.952 3.787 . 0 0 "[ . 1 . 2]" 1
746 1 32 TRP HZ2 1 49 ARG QG . . 4.140 3.216 2.859 3.588 . 0 0 "[ . 1 . 2]" 1
747 1 32 TRP HZ2 1 52 TYR QB . . 4.820 3.507 2.892 3.857 . 0 0 "[ . 1 . 2]" 1
748 1 32 TRP HZ2 1 52 TYR QD . . 4.660 4.343 3.923 4.650 . 0 0 "[ . 1 . 2]" 1
749 1 32 TRP HZ2 1 53 LEU MD1 . . 4.580 3.467 3.094 3.925 . 0 0 "[ . 1 . 2]" 1
750 1 32 TRP HZ2 1 53 LEU MD2 . . 4.470 3.530 3.020 3.899 . 0 0 "[ . 1 . 2]" 1
751 1 32 TRP HZ2 1 53 LEU HG . . 5.120 3.213 2.800 3.590 . 0 0 "[ . 1 . 2]" 1
752 1 32 TRP HZ3 1 35 ILE HB . . 5.330 4.336 3.929 4.563 . 0 0 "[ . 1 . 2]" 1
753 1 32 TRP HZ3 1 35 ILE MD . . 4.220 3.012 2.452 3.282 . 0 0 "[ . 1 . 2]" 1
754 1 32 TRP HZ3 1 35 ILE MG . . 3.580 2.973 2.559 3.225 . 0 0 "[ . 1 . 2]" 1
755 1 32 TRP HZ3 1 48 CYS HB2 . . 4.700 4.324 3.875 4.699 . 0 0 "[ . 1 . 2]" 1
756 1 32 TRP HZ3 1 48 CYS HB3 . . 4.100 3.186 2.733 3.619 . 0 0 "[ . 1 . 2]" 1
757 1 32 TRP HZ3 1 49 ARG H . . 5.010 4.686 4.388 4.973 . 0 0 "[ . 1 . 2]" 1
758 1 32 TRP HZ3 1 49 ARG HA . . 4.300 3.159 2.867 3.562 . 0 0 "[ . 1 . 2]" 1
759 1 32 TRP HZ3 1 52 TYR H . . 4.740 4.572 4.321 4.749 0.009 16 0 "[ . 1 . 2]" 1
760 1 32 TRP HZ3 1 52 TYR QB . . 4.040 3.048 2.819 3.261 . 0 0 "[ . 1 . 2]" 1
761 1 33 ALA H 1 33 ALA MB . . 2.880 2.142 2.043 2.253 . 0 0 "[ . 1 . 2]" 1
762 1 33 ALA H 1 34 ASP H . . 3.130 2.946 2.914 2.971 . 0 0 "[ . 1 . 2]" 1
763 1 33 ALA H 1 34 ASP HA . . 5.500 5.500 5.477 5.521 0.021 7 0 "[ . 1 . 2]" 1
764 1 33 ALA H 1 35 ILE H . . 4.660 4.350 4.159 4.580 . 0 0 "[ . 1 . 2]" 1
765 1 33 ALA H 1 35 ILE HB . . 5.500 5.237 5.076 5.363 . 0 0 "[ . 1 . 2]" 1
766 1 33 ALA H 1 45 LYS HB2 . . 4.300 3.558 3.192 3.905 . 0 0 "[ . 1 . 2]" 1
767 1 33 ALA H 1 45 LYS HB3 . . 4.500 3.732 3.497 4.004 . 0 0 "[ . 1 . 2]" 1
768 1 33 ALA H 1 45 LYS QD . . 4.610 3.684 2.836 3.995 . 0 0 "[ . 1 . 2]" 1
769 1 33 ALA HA 1 45 LYS H . . 4.880 4.292 4.054 4.501 . 0 0 "[ . 1 . 2]" 1
770 1 33 ALA HA 1 45 LYS HB2 . . 3.710 3.186 2.985 3.345 . 0 0 "[ . 1 . 2]" 1
771 1 33 ALA HA 1 45 LYS HB3 . . 3.820 2.113 1.999 2.316 . 0 0 "[ . 1 . 2]" 1
772 1 33 ALA HA 1 45 LYS HD2 . . 4.000 3.360 2.144 4.006 0.006 19 0 "[ . 1 . 2]" 1
773 1 33 ALA HA 1 45 LYS QD . . 3.500 2.223 2.010 2.524 . 0 0 "[ . 1 . 2]" 1
774 1 33 ALA HA 1 45 LYS HD3 . . 4.000 2.313 2.026 3.280 . 0 0 "[ . 1 . 2]" 1
775 1 33 ALA MB 1 34 ASP H . . 3.290 2.653 2.482 2.806 . 0 0 "[ . 1 . 2]" 1
776 1 33 ALA MB 1 34 ASP HA . . 5.410 3.787 3.718 3.885 . 0 0 "[ . 1 . 2]" 1
777 1 33 ALA MB 1 34 ASP QB . . 5.340 4.107 3.744 4.330 . 0 0 "[ . 1 . 2]" 1
778 1 33 ALA MB 1 35 ILE H . . 4.970 4.597 4.428 4.756 . 0 0 "[ . 1 . 2]" 1
779 1 33 ALA MB 1 36 ALA H . . 4.860 4.828 4.660 4.864 0.004 11 0 "[ . 1 . 2]" 1
780 1 33 ALA MB 1 37 ASP H . . 5.500 5.269 5.001 5.447 . 0 0 "[ . 1 . 2]" 1
781 1 33 ALA MB 1 45 LYS HE2 . . 5.090 4.411 3.624 5.091 0.001 20 0 "[ . 1 . 2]" 1
782 1 33 ALA MB 1 45 LYS QE . . 4.470 3.904 3.483 4.408 . 0 0 "[ . 1 . 2]" 1
783 1 33 ALA MB 1 45 LYS HE3 . . 5.090 4.573 3.715 5.081 . 0 0 "[ . 1 . 2]" 1
784 1 34 ASP H 1 34 ASP HB2 . . 3.740 2.324 2.193 2.557 . 0 0 "[ . 1 . 2]" 1
785 1 34 ASP H 1 34 ASP QB . . 2.970 2.280 2.171 2.507 . 0 0 "[ . 1 . 2]" 1
786 1 34 ASP H 1 34 ASP HB3 . . 3.740 3.412 2.792 3.614 . 0 0 "[ . 1 . 2]" 1
787 1 34 ASP H 1 35 ILE H . . 3.360 2.538 2.450 2.739 . 0 0 "[ . 1 . 2]" 1
788 1 34 ASP H 1 35 ILE HB . . 5.050 4.704 4.541 4.804 . 0 0 "[ . 1 . 2]" 1
789 1 34 ASP H 1 35 ILE MD . . 5.500 4.973 4.606 5.268 . 0 0 "[ . 1 . 2]" 1
790 1 34 ASP H 1 35 ILE HG13 . . 4.740 4.148 4.027 4.363 . 0 0 "[ . 1 . 2]" 1
791 1 34 ASP H 1 36 ALA H . . 4.690 4.048 3.924 4.186 . 0 0 "[ . 1 . 2]" 1
792 1 34 ASP H 1 37 ASP H . . 5.300 5.146 5.010 5.270 . 0 0 "[ . 1 . 2]" 1
793 1 34 ASP HA 1 35 ILE HG13 . . 5.500 5.371 5.206 5.480 . 0 0 "[ . 1 . 2]" 1
794 1 34 ASP HA 1 36 ALA H . . 4.530 4.320 4.167 4.498 . 0 0 "[ . 1 . 2]" 1
795 1 34 ASP QB 1 35 ILE H . . 3.320 2.552 2.293 2.669 . 0 0 "[ . 1 . 2]" 1
796 1 34 ASP QB 1 35 ILE MD . . 4.980 4.518 4.268 4.708 . 0 0 "[ . 1 . 2]" 1
797 1 34 ASP QB 1 36 ALA H . . 4.850 4.664 4.493 4.830 . 0 0 "[ . 1 . 2]" 1
798 1 34 ASP QB 1 37 ASP H . . 5.340 5.026 4.810 5.209 . 0 0 "[ . 1 . 2]" 1
799 1 34 ASP HB2 1 35 ILE H . . 3.950 2.839 2.497 3.690 . 0 0 "[ . 1 . 2]" 1
800 1 34 ASP HB3 1 35 ILE H . . 3.950 3.265 2.324 3.713 . 0 0 "[ . 1 . 2]" 1
801 1 35 ILE H 1 35 ILE HB . . 3.070 2.537 2.432 2.613 . 0 0 "[ . 1 . 2]" 1
802 1 35 ILE H 1 35 ILE MD . . 3.980 3.474 3.237 3.636 . 0 0 "[ . 1 . 2]" 1
803 1 35 ILE H 1 35 ILE HG12 . . 3.650 3.422 3.129 3.608 . 0 0 "[ . 1 . 2]" 1
804 1 35 ILE H 1 35 ILE HG13 . . 3.350 2.095 2.000 2.300 . 0 0 "[ . 1 . 2]" 1
805 1 35 ILE H 1 35 ILE MG . . 3.910 3.762 3.745 3.767 . 0 0 "[ . 1 . 2]" 1
806 1 35 ILE H 1 36 ALA H . . 3.270 2.733 2.576 2.888 . 0 0 "[ . 1 . 2]" 1
807 1 35 ILE H 1 36 ALA MB . . 5.300 4.356 4.245 4.456 . 0 0 "[ . 1 . 2]" 1
808 1 35 ILE H 1 37 ASP H . . 4.670 4.471 4.327 4.639 . 0 0 "[ . 1 . 2]" 1
809 1 35 ILE HA 1 35 ILE MD . . 4.010 3.837 3.787 3.885 . 0 0 "[ . 1 . 2]" 1
810 1 35 ILE HA 1 35 ILE HG12 . . 3.570 2.574 2.454 2.752 . 0 0 "[ . 1 . 2]" 1
811 1 35 ILE HA 1 35 ILE HG13 . . 3.700 2.916 2.749 3.120 . 0 0 "[ . 1 . 2]" 1
812 1 35 ILE HA 1 35 ILE MG . . 3.360 2.416 2.314 2.470 . 0 0 "[ . 1 . 2]" 1
813 1 35 ILE HA 1 36 ALA HA . . 5.500 4.865 4.805 4.904 . 0 0 "[ . 1 . 2]" 1
814 1 35 ILE HA 1 37 ASP H . . 4.980 4.476 4.150 4.693 . 0 0 "[ . 1 . 2]" 1
815 1 35 ILE HA 1 38 TYR H . . 3.830 3.287 3.138 3.442 . 0 0 "[ . 1 . 2]" 1
816 1 35 ILE HA 1 38 TYR HB2 . . 4.050 3.035 2.683 3.331 . 0 0 "[ . 1 . 2]" 1
817 1 35 ILE HA 1 38 TYR HB3 . . 3.820 2.555 2.415 2.722 . 0 0 "[ . 1 . 2]" 1
818 1 35 ILE HA 1 38 TYR QD . . 4.960 4.320 4.172 4.473 . 0 0 "[ . 1 . 2]" 1
819 1 35 ILE HA 1 39 VAL H . . 4.660 4.037 3.879 4.182 . 0 0 "[ . 1 . 2]" 1
820 1 35 ILE HA 1 39 VAL MG2 . . 4.970 3.666 3.430 3.957 . 0 0 "[ . 1 . 2]" 1
821 1 35 ILE HB 1 35 ILE MD . . 3.690 2.381 2.144 2.519 . 0 0 "[ . 1 . 2]" 1
822 1 35 ILE HB 1 36 ALA H . . 3.260 2.650 2.530 2.826 . 0 0 "[ . 1 . 2]" 1
823 1 35 ILE HB 1 36 ALA MB . . 4.810 4.089 3.997 4.250 . 0 0 "[ . 1 . 2]" 1
824 1 35 ILE MD 1 35 ILE MG . . 3.180 2.099 1.904 2.441 . 0 0 "[ . 1 . 2]" 1
825 1 35 ILE MD 1 36 ALA H . . 4.690 4.567 4.392 4.687 . 0 0 "[ . 1 . 2]" 1
826 1 35 ILE HG12 1 35 ILE MG . . 3.560 2.256 2.078 2.357 . 0 0 "[ . 1 . 2]" 1
827 1 35 ILE HG12 1 36 ALA H . . 5.330 5.028 4.924 5.143 . 0 0 "[ . 1 . 2]" 1
828 1 35 ILE HG13 1 36 ALA H . . 4.480 4.269 4.180 4.402 . 0 0 "[ . 1 . 2]" 1
829 1 35 ILE MG 1 36 ALA H . . 3.710 3.473 3.301 3.668 . 0 0 "[ . 1 . 2]" 1
830 1 35 ILE MG 1 36 ALA HA . . 4.070 3.551 3.328 3.709 . 0 0 "[ . 1 . 2]" 1
831 1 35 ILE MG 1 37 ASP H . . 5.160 5.007 4.764 5.164 0.004 19 0 "[ . 1 . 2]" 1
832 1 35 ILE MG 1 38 TYR H . . 4.670 4.028 3.795 4.317 . 0 0 "[ . 1 . 2]" 1
833 1 35 ILE MG 1 38 TYR HB2 . . 5.270 4.374 4.026 4.767 . 0 0 "[ . 1 . 2]" 1
834 1 35 ILE MG 1 38 TYR HB3 . . 4.760 3.129 2.835 3.502 . 0 0 "[ . 1 . 2]" 1
835 1 35 ILE MG 1 38 TYR QD . . 5.260 4.013 3.772 4.194 . 0 0 "[ . 1 . 2]" 1
836 1 35 ILE MG 1 39 VAL H . . 3.570 3.351 3.142 3.541 . 0 0 "[ . 1 . 2]" 1
837 1 35 ILE MG 1 39 VAL HB . . 4.750 3.472 3.332 3.695 . 0 0 "[ . 1 . 2]" 1
838 1 35 ILE MG 1 39 VAL MG2 . . 2.990 1.894 1.837 1.993 . 0 0 "[ . 1 . 2]" 1
839 1 35 ILE MG 1 48 CYS HB2 . . 4.150 3.712 3.530 3.906 . 0 0 "[ . 1 . 2]" 1
840 1 35 ILE MG 1 48 CYS HB3 . . 3.620 2.853 2.657 3.205 . 0 0 "[ . 1 . 2]" 1
841 1 35 ILE MG 1 49 ARG H . . 5.500 5.469 5.334 5.504 0.004 17 0 "[ . 1 . 2]" 1
842 1 36 ALA H 1 36 ALA MB . . 2.840 2.191 2.031 2.241 . 0 0 "[ . 1 . 2]" 1
843 1 36 ALA H 1 37 ASP H . . 3.360 2.865 2.700 2.985 . 0 0 "[ . 1 . 2]" 1
844 1 36 ALA H 1 37 ASP HB2 . . 5.260 5.100 4.940 5.204 . 0 0 "[ . 1 . 2]" 1
845 1 36 ALA H 1 37 ASP HB3 . . 5.500 5.297 5.043 5.496 . 0 0 "[ . 1 . 2]" 1
846 1 36 ALA H 1 38 TYR H . . 4.770 3.882 3.809 3.970 . 0 0 "[ . 1 . 2]" 1
847 1 36 ALA H 1 39 VAL HB . . 5.500 5.250 5.106 5.394 . 0 0 "[ . 1 . 2]" 1
848 1 36 ALA H 1 45 LYS HA . . 4.240 3.804 3.644 3.962 . 0 0 "[ . 1 . 2]" 1
849 1 36 ALA H 1 45 LYS HB2 . . 5.460 4.908 4.580 5.106 . 0 0 "[ . 1 . 2]" 1
850 1 36 ALA H 1 45 LYS HB3 . . 4.740 3.752 3.389 3.941 . 0 0 "[ . 1 . 2]" 1
851 1 36 ALA H 1 48 CYS HB3 . . 5.500 5.214 4.967 5.504 0.004 9 0 "[ . 1 . 2]" 1
852 1 36 ALA HA 1 38 TYR H . . 4.480 3.965 3.849 4.088 . 0 0 "[ . 1 . 2]" 1
853 1 36 ALA HA 1 39 VAL H . . 3.800 3.417 3.318 3.538 . 0 0 "[ . 1 . 2]" 1
854 1 36 ALA HA 1 39 VAL HB . . 3.460 3.029 2.861 3.244 . 0 0 "[ . 1 . 2]" 1
855 1 36 ALA HA 1 39 VAL MG2 . . 3.880 3.696 3.274 3.878 . 0 0 "[ . 1 . 2]" 1
856 1 36 ALA HA 1 40 GLY H . . 4.170 3.259 3.093 3.488 . 0 0 "[ . 1 . 2]" 1
857 1 36 ALA HA 1 40 GLY HA2 . . 5.430 4.761 4.530 5.002 . 0 0 "[ . 1 . 2]" 1
858 1 36 ALA HA 1 45 LYS H . . 5.190 4.028 3.712 4.473 . 0 0 "[ . 1 . 2]" 1
859 1 36 ALA HA 1 48 CYS HB3 . . 5.240 4.137 3.909 4.381 . 0 0 "[ . 1 . 2]" 1
860 1 36 ALA MB 1 37 ASP H . . 3.290 2.391 2.263 2.565 . 0 0 "[ . 1 . 2]" 1
861 1 36 ALA MB 1 37 ASP HA . . 4.410 3.780 3.682 3.832 . 0 0 "[ . 1 . 2]" 1
862 1 36 ALA MB 1 37 ASP HB3 . . 5.190 4.669 4.494 4.866 . 0 0 "[ . 1 . 2]" 1
863 1 36 ALA MB 1 38 TYR H . . 5.100 4.168 4.082 4.241 . 0 0 "[ . 1 . 2]" 1
864 1 36 ALA MB 1 39 VAL HB . . 4.700 4.526 4.347 4.707 0.007 2 0 "[ . 1 . 2]" 1
865 1 36 ALA MB 1 40 GLY H . . 4.910 4.213 4.083 4.401 . 0 0 "[ . 1 . 2]" 1
866 1 36 ALA MB 1 44 THR HA . . 4.190 2.034 1.964 2.290 . 0 0 "[ . 1 . 2]" 1
867 1 36 ALA MB 1 45 LYS H . . 4.170 1.918 1.723 2.305 . 0 0 "[ . 1 . 2]" 1
868 1 36 ALA MB 1 45 LYS HA . . 3.040 2.358 2.125 2.675 . 0 0 "[ . 1 . 2]" 1
869 1 36 ALA MB 1 45 LYS HB2 . . 3.830 3.548 3.351 3.793 . 0 0 "[ . 1 . 2]" 1
870 1 36 ALA MB 1 45 LYS HB3 . . 4.100 2.257 1.969 2.525 . 0 0 "[ . 1 . 2]" 1
871 1 36 ALA MB 1 45 LYS QD . . 4.220 3.635 3.180 3.984 . 0 0 "[ . 1 . 2]" 1
872 1 36 ALA MB 1 45 LYS QG . . 3.550 3.269 3.035 3.486 . 0 0 "[ . 1 . 2]" 1
873 1 36 ALA MB 1 48 CYS HB2 . . 4.540 3.585 3.232 3.856 . 0 0 "[ . 1 . 2]" 1
874 1 36 ALA MB 1 48 CYS HB3 . . 5.500 4.680 4.329 4.975 . 0 0 "[ . 1 . 2]" 1
875 1 36 ALA MB 1 49 ARG H . . 5.300 5.220 5.059 5.303 0.003 2 0 "[ . 1 . 2]" 1
876 1 37 ASP H 1 37 ASP HB2 . . 3.440 2.369 2.256 2.501 . 0 0 "[ . 1 . 2]" 1
877 1 37 ASP H 1 37 ASP HB3 . . 3.100 2.726 2.568 2.869 . 0 0 "[ . 1 . 2]" 1
878 1 37 ASP H 1 38 TYR H . . 3.190 2.562 2.443 2.662 . 0 0 "[ . 1 . 2]" 1
879 1 37 ASP H 1 38 TYR HA . . 5.270 5.170 5.048 5.264 . 0 0 "[ . 1 . 2]" 1
880 1 37 ASP H 1 38 TYR HB2 . . 5.030 4.748 4.576 4.912 . 0 0 "[ . 1 . 2]" 1
881 1 37 ASP H 1 38 TYR HB3 . . 5.170 4.982 4.787 5.095 . 0 0 "[ . 1 . 2]" 1
882 1 37 ASP H 1 39 VAL H . . 4.280 4.203 4.089 4.286 0.006 9 0 "[ . 1 . 2]" 1
883 1 37 ASP H 1 39 VAL MG2 . . 5.470 5.433 5.319 5.474 0.004 11 0 "[ . 1 . 2]" 1
884 1 37 ASP HA 1 39 VAL H . . 4.750 4.434 4.322 4.532 . 0 0 "[ . 1 . 2]" 1
885 1 37 ASP HA 1 40 GLY H . . 4.600 4.563 4.430 4.604 0.004 10 0 "[ . 1 . 2]" 1
886 1 37 ASP HA 1 40 GLY HA2 . . 4.720 4.673 4.573 4.720 . 0 0 "[ . 1 . 2]" 1
887 1 37 ASP HB2 1 38 TYR H . . 4.100 3.995 3.862 4.103 0.003 17 0 "[ . 1 . 2]" 1
888 1 37 ASP HB3 1 38 TYR H . . 3.570 3.123 2.990 3.251 . 0 0 "[ . 1 . 2]" 1
889 1 37 ASP HB3 1 39 VAL H . . 5.470 5.294 5.201 5.391 . 0 0 "[ . 1 . 2]" 1
890 1 38 TYR H 1 38 TYR HB2 . . 2.900 2.583 2.463 2.689 . 0 0 "[ . 1 . 2]" 1
891 1 38 TYR H 1 38 TYR HB3 . . 3.010 2.614 2.530 2.711 . 0 0 "[ . 1 . 2]" 1
892 1 38 TYR H 1 38 TYR QD . . 4.430 4.234 4.198 4.249 . 0 0 "[ . 1 . 2]" 1
893 1 38 TYR H 1 39 VAL H . . 3.140 2.330 2.267 2.405 . 0 0 "[ . 1 . 2]" 1
894 1 38 TYR H 1 39 VAL HA . . 5.080 5.023 4.973 5.082 0.002 10 0 "[ . 1 . 2]" 1
895 1 38 TYR H 1 39 VAL HB . . 4.690 4.576 4.496 4.662 . 0 0 "[ . 1 . 2]" 1
896 1 38 TYR H 1 39 VAL MG2 . . 4.170 3.944 3.837 4.068 . 0 0 "[ . 1 . 2]" 1
897 1 38 TYR H 1 40 GLY H . . 4.900 4.476 4.376 4.582 . 0 0 "[ . 1 . 2]" 1
898 1 38 TYR HA 1 38 TYR QD . . 3.720 3.009 2.870 3.111 . 0 0 "[ . 1 . 2]" 1
899 1 38 TYR HA 1 38 TYR QE . . 5.000 4.632 4.537 4.709 . 0 0 "[ . 1 . 2]" 1
900 1 38 TYR HB2 1 39 VAL H . . 4.040 3.845 3.723 3.968 . 0 0 "[ . 1 . 2]" 1
901 1 38 TYR HB2 1 39 VAL MG2 . . 4.860 4.451 4.360 4.577 . 0 0 "[ . 1 . 2]" 1
902 1 38 TYR HB3 1 39 VAL H . . 3.350 2.714 2.629 2.821 . 0 0 "[ . 1 . 2]" 1
903 1 38 TYR HB3 1 39 VAL MG2 . . 4.310 2.907 2.805 3.103 . 0 0 "[ . 1 . 2]" 1
904 1 38 TYR HB3 1 40 GLY H . . 5.500 5.489 5.429 5.511 0.011 16 0 "[ . 1 . 2]" 1
905 1 38 TYR QD 1 39 VAL H . . 4.050 3.777 3.470 3.969 . 0 0 "[ . 1 . 2]" 1
906 1 38 TYR QD 1 39 VAL HA . . 4.010 3.380 3.049 3.682 . 0 0 "[ . 1 . 2]" 1
907 1 38 TYR QD 1 39 VAL MG2 . . 3.950 2.951 2.663 3.234 . 0 0 "[ . 1 . 2]" 1
908 1 38 TYR QE 1 39 VAL HA . . 5.490 5.049 4.645 5.426 . 0 0 "[ . 1 . 2]" 1
909 1 39 VAL H 1 39 VAL HB . . 2.950 2.480 2.444 2.517 . 0 0 "[ . 1 . 2]" 1
910 1 39 VAL H 1 39 VAL MG1 . . 4.160 3.772 3.761 3.791 . 0 0 "[ . 1 . 2]" 1
911 1 39 VAL H 1 39 VAL MG2 . . 3.020 2.334 2.205 2.446 . 0 0 "[ . 1 . 2]" 1
912 1 39 VAL H 1 40 GLY H . . 3.260 2.779 2.685 2.868 . 0 0 "[ . 1 . 2]" 1
913 1 39 VAL H 1 40 GLY HA3 . . 4.960 4.823 4.723 4.904 . 0 0 "[ . 1 . 2]" 1
914 1 39 VAL HA 1 39 VAL MG1 . . 3.120 2.424 2.346 2.476 . 0 0 "[ . 1 . 2]" 1
915 1 39 VAL HA 1 39 VAL MG2 . . 3.250 2.386 2.285 2.443 . 0 0 "[ . 1 . 2]" 1
916 1 39 VAL HB 1 40 GLY H . . 3.320 2.004 1.952 2.072 . 0 0 "[ . 1 . 2]" 1
917 1 39 VAL HB 1 40 GLY HA2 . . 5.160 4.213 4.169 4.257 . 0 0 "[ . 1 . 2]" 1
918 1 39 VAL HB 1 43 ARG HB3 . . 5.500 4.869 4.615 5.130 . 0 0 "[ . 1 . 2]" 1
919 1 39 VAL MG1 1 40 GLY H . . 3.870 2.789 2.631 2.956 . 0 0 "[ . 1 . 2]" 1
920 1 39 VAL MG1 1 40 GLY HA2 . . 5.100 4.009 3.841 4.161 . 0 0 "[ . 1 . 2]" 1
921 1 39 VAL MG1 1 40 GLY HA3 . . 5.180 4.052 3.938 4.184 . 0 0 "[ . 1 . 2]" 1
922 1 39 VAL MG1 1 41 ASN H . . 4.680 4.484 4.350 4.596 . 0 0 "[ . 1 . 2]" 1
923 1 39 VAL MG1 1 41 ASN HB2 . . 4.550 3.437 3.335 3.516 . 0 0 "[ . 1 . 2]" 1
924 1 39 VAL MG1 1 41 ASN HB3 . . 4.820 4.684 4.617 4.749 . 0 0 "[ . 1 . 2]" 1
925 1 39 VAL MG1 1 41 ASN HD21 . . 4.300 1.901 1.835 2.004 . 0 0 "[ . 1 . 2]" 1
926 1 39 VAL MG1 1 41 ASN HD22 . . 4.320 2.400 2.091 2.681 . 0 0 "[ . 1 . 2]" 1
927 1 39 VAL MG1 1 43 ARG H . . 5.500 4.616 4.350 4.859 . 0 0 "[ . 1 . 2]" 1
928 1 39 VAL MG1 1 43 ARG HB2 . . 4.360 2.932 2.590 3.150 . 0 0 "[ . 1 . 2]" 1
929 1 39 VAL MG1 1 43 ARG HB3 . . 4.000 3.802 3.423 3.994 . 0 0 "[ . 1 . 2]" 1
930 1 39 VAL MG1 1 43 ARG HG2 . . 4.290 3.732 3.550 3.900 . 0 0 "[ . 1 . 2]" 1
931 1 39 VAL MG2 1 40 GLY H . . 4.060 3.627 3.583 3.671 . 0 0 "[ . 1 . 2]" 1
932 1 39 VAL MG2 1 41 ASN HD21 . . 5.500 4.501 4.364 4.589 . 0 0 "[ . 1 . 2]" 1
933 1 39 VAL MG2 1 48 CYS HB3 . . 4.880 3.271 2.953 3.675 . 0 0 "[ . 1 . 2]" 1
934 1 40 GLY H 1 40 GLY HA2 . . 2.880 2.304 2.298 2.316 . 0 0 "[ . 1 . 2]" 1
935 1 40 GLY H 1 41 ASN H . . 4.620 4.528 4.497 4.555 . 0 0 "[ . 1 . 2]" 1
936 1 40 GLY H 1 41 ASN HD21 . . 5.240 4.431 3.952 4.615 . 0 0 "[ . 1 . 2]" 1
937 1 40 GLY H 1 43 ARG HB2 . . 5.190 3.390 3.232 3.558 . 0 0 "[ . 1 . 2]" 1
938 1 40 GLY H 1 43 ARG HB3 . . 5.480 4.953 4.788 5.162 . 0 0 "[ . 1 . 2]" 1
939 1 40 GLY H 1 44 THR H . . 5.500 5.493 5.456 5.510 0.010 7 0 "[ . 1 . 2]" 1
940 1 40 GLY HA2 1 41 ASN H . . 3.210 3.209 3.166 3.239 0.029 18 0 "[ . 1 . 2]" 1
941 1 40 GLY HA2 1 41 ASN HA . . 5.500 5.049 5.027 5.065 . 0 0 "[ . 1 . 2]" 1
942 1 40 GLY HA2 1 42 ALA H . . 4.240 3.947 3.678 4.135 . 0 0 "[ . 1 . 2]" 1
943 1 40 GLY HA2 1 43 ARG H . . 4.360 3.011 2.952 3.054 . 0 0 "[ . 1 . 2]" 1
944 1 40 GLY HA3 1 41 ASN H . . 2.920 2.140 2.138 2.148 . 0 0 "[ . 1 . 2]" 1
945 1 40 GLY HA3 1 41 ASN HA . . 4.700 4.364 4.361 4.370 . 0 0 "[ . 1 . 2]" 1
946 1 40 GLY HA3 1 41 ASN HD21 . . 5.360 4.572 4.108 4.769 . 0 0 "[ . 1 . 2]" 1
947 1 41 ASN H 1 41 ASN HA . . 2.840 2.279 2.275 2.289 . 0 0 "[ . 1 . 2]" 1
948 1 41 ASN H 1 41 ASN HB2 . . 3.800 3.736 3.696 3.758 . 0 0 "[ . 1 . 2]" 1
949 1 41 ASN H 1 41 ASN HB3 . . 3.970 3.896 3.848 3.937 . 0 0 "[ . 1 . 2]" 1
950 1 41 ASN H 1 42 ALA H . . 3.470 2.874 2.789 2.988 . 0 0 "[ . 1 . 2]" 1
951 1 41 ASN H 1 42 ALA MB . . 5.140 4.962 4.905 5.041 . 0 0 "[ . 1 . 2]" 1
952 1 41 ASN H 1 43 ARG H . . 4.660 3.944 3.861 4.045 . 0 0 "[ . 1 . 2]" 1
953 1 41 ASN HA 1 41 ASN HD21 . . 4.850 4.383 4.222 4.445 . 0 0 "[ . 1 . 2]" 1
954 1 41 ASN HA 1 41 ASN HD22 . . 5.240 4.821 4.719 4.867 . 0 0 "[ . 1 . 2]" 1
955 1 41 ASN HA 1 42 ALA H . . 3.500 2.692 2.631 2.790 . 0 0 "[ . 1 . 2]" 1
956 1 41 ASN HA 1 42 ALA HA . . 4.790 4.683 4.652 4.724 . 0 0 "[ . 1 . 2]" 1
957 1 41 ASN HA 1 42 ALA MB . . 4.520 3.674 3.644 3.792 . 0 0 "[ . 1 . 2]" 1
958 1 41 ASN HB2 1 42 ALA H . . 4.320 4.280 4.212 4.315 . 0 0 "[ . 1 . 2]" 1
959 1 41 ASN HB2 1 43 ARG H . . 4.600 4.204 4.128 4.307 . 0 0 "[ . 1 . 2]" 1
960 1 41 ASN HB2 1 43 ARG HE . . 5.460 3.473 3.346 3.630 . 0 0 "[ . 1 . 2]" 1
961 1 41 ASN HB2 1 43 ARG HG2 . . 4.530 2.745 2.705 2.769 . 0 0 "[ . 1 . 2]" 1
962 1 41 ASN HB3 1 41 ASN HD22 . . 4.010 3.970 3.944 4.023 0.013 16 0 "[ . 1 . 2]" 1
963 1 41 ASN HB3 1 42 ALA H . . 4.720 4.513 4.485 4.543 . 0 0 "[ . 1 . 2]" 1
964 1 41 ASN HB3 1 43 ARG HE . . 5.390 4.521 4.348 4.675 . 0 0 "[ . 1 . 2]" 1
965 1 41 ASN HB3 1 43 ARG HG2 . . 4.250 4.235 4.166 4.253 0.003 17 0 "[ . 1 . 2]" 1
966 1 41 ASN HD21 1 43 ARG HE . . 4.950 4.766 4.433 4.947 . 0 0 "[ . 1 . 2]" 1
967 1 41 ASN HD21 1 43 ARG HG2 . . 4.920 3.857 3.725 3.906 . 0 0 "[ . 1 . 2]" 1
968 1 41 ASN HD21 1 43 ARG HG3 . . 5.330 3.584 3.362 3.809 . 0 0 "[ . 1 . 2]" 1
969 1 41 ASN HD22 1 43 ARG HG2 . . 5.500 5.482 5.385 5.502 0.002 7 0 "[ . 1 . 2]" 1
970 1 42 ALA H 1 42 ALA HA . . 2.840 2.280 2.276 2.288 . 0 0 "[ . 1 . 2]" 1
971 1 42 ALA H 1 42 ALA MB . . 3.250 2.928 2.893 2.950 . 0 0 "[ . 1 . 2]" 1
972 1 42 ALA H 1 43 ARG H . . 3.200 2.546 2.462 2.617 . 0 0 "[ . 1 . 2]" 1
973 1 42 ALA H 1 43 ARG HB2 . . 5.130 5.049 4.941 5.112 . 0 0 "[ . 1 . 2]" 1
974 1 42 ALA H 1 43 ARG HG2 . . 4.790 4.109 4.039 4.173 . 0 0 "[ . 1 . 2]" 1
975 1 42 ALA HA 1 43 ARG H . . 3.460 2.972 2.911 2.991 . 0 0 "[ . 1 . 2]" 1
976 1 42 ALA MB 1 43 ARG H . . 3.680 3.603 3.590 3.635 . 0 0 "[ . 1 . 2]" 1
977 1 43 ARG H 1 43 ARG HB2 . . 3.430 2.751 2.708 2.782 . 0 0 "[ . 1 . 2]" 1
978 1 43 ARG H 1 43 ARG HB3 . . 4.090 3.798 3.773 3.816 . 0 0 "[ . 1 . 2]" 1
979 1 43 ARG H 1 43 ARG HD3 . . 4.050 3.890 3.761 4.036 . 0 0 "[ . 1 . 2]" 1
980 1 43 ARG H 1 43 ARG HE . . 5.310 4.992 4.741 5.208 . 0 0 "[ . 1 . 2]" 1
981 1 43 ARG H 1 43 ARG HG2 . . 2.880 2.611 2.525 2.700 . 0 0 "[ . 1 . 2]" 1
982 1 43 ARG H 1 43 ARG HG3 . . 5.010 3.986 3.896 4.096 . 0 0 "[ . 1 . 2]" 1
983 1 43 ARG H 1 44 THR H . . 4.590 4.427 4.393 4.470 . 0 0 "[ . 1 . 2]" 1
984 1 43 ARG HA 1 43 ARG HD2 . . 3.930 3.293 3.133 3.470 . 0 0 "[ . 1 . 2]" 1
985 1 43 ARG HA 1 43 ARG HD3 . . 3.340 2.154 2.016 2.280 . 0 0 "[ . 1 . 2]" 1
986 1 43 ARG HA 1 43 ARG HE . . 5.140 4.715 4.549 4.851 . 0 0 "[ . 1 . 2]" 1
987 1 43 ARG HA 1 43 ARG HG2 . . 4.150 3.168 3.095 3.226 . 0 0 "[ . 1 . 2]" 1
988 1 43 ARG HA 1 44 THR H . . 2.850 2.590 2.486 2.651 . 0 0 "[ . 1 . 2]" 1
989 1 43 ARG HA 1 44 THR MG . . 4.280 3.456 3.224 3.721 . 0 0 "[ . 1 . 2]" 1
990 1 43 ARG HA 1 47 GLU HB2 . . 5.140 3.247 3.119 3.396 . 0 0 "[ . 1 . 2]" 1
991 1 43 ARG HA 1 47 GLU QG . . 5.500 3.682 2.857 4.458 . 0 0 "[ . 1 . 2]" 1
992 1 43 ARG HB2 1 43 ARG HE . . 4.810 4.640 4.616 4.661 . 0 0 "[ . 1 . 2]" 1
993 1 43 ARG HB2 1 44 THR H . . 4.160 3.066 2.918 3.272 . 0 0 "[ . 1 . 2]" 1
994 1 43 ARG HB3 1 43 ARG HD2 . . 3.670 2.548 2.449 2.641 . 0 0 "[ . 1 . 2]" 1
995 1 43 ARG HB3 1 43 ARG HD3 . . 3.960 2.847 2.708 2.967 . 0 0 "[ . 1 . 2]" 1
996 1 43 ARG HB3 1 43 ARG HE . . 5.030 4.449 4.391 4.491 . 0 0 "[ . 1 . 2]" 1
997 1 43 ARG HB3 1 44 THR H . . 4.490 2.165 2.059 2.326 . 0 0 "[ . 1 . 2]" 1
998 1 43 ARG HB3 1 47 GLU HB2 . . 4.560 3.032 2.755 3.365 . 0 0 "[ . 1 . 2]" 1
999 1 43 ARG HB3 1 47 GLU HB3 . . 4.990 3.424 2.882 3.816 . 0 0 "[ . 1 . 2]" 1
1000 1 43 ARG HB3 1 48 CYS H . . 4.000 3.110 2.983 3.232 . 0 0 "[ . 1 . 2]" 1
1001 1 43 ARG HB3 1 48 CYS HB3 . . 5.500 4.952 4.672 5.210 . 0 0 "[ . 1 . 2]" 1
1002 1 43 ARG HB3 1 51 HIS HB3 . . 5.500 5.505 5.497 5.512 0.012 11 0 "[ . 1 . 2]" 1
1003 1 43 ARG HD2 1 43 ARG QH1 . . 4.200 2.467 2.135 2.606 . 0 0 "[ . 1 . 2]" 1
1004 1 43 ARG HD2 1 44 THR H . . 4.390 4.298 4.171 4.390 0.000 14 0 "[ . 1 . 2]" 1
1005 1 43 ARG HD2 1 47 GLU HB2 . . 4.850 4.097 3.621 4.356 . 0 0 "[ . 1 . 2]" 1
1006 1 43 ARG HD2 1 47 GLU QG . . 5.220 4.521 3.965 5.044 . 0 0 "[ . 1 . 2]" 1
1007 1 43 ARG HD2 1 48 CYS H . . 5.500 4.702 4.450 4.834 . 0 0 "[ . 1 . 2]" 1
1008 1 43 ARG HD3 1 43 ARG QH1 . . 4.090 2.029 1.901 2.349 . 0 0 "[ . 1 . 2]" 1
1009 1 43 ARG HD3 1 44 THR H . . 4.280 4.152 3.979 4.284 0.004 16 0 "[ . 1 . 2]" 1
1010 1 43 ARG HD3 1 47 GLU HB2 . . 5.500 4.193 3.826 4.535 . 0 0 "[ . 1 . 2]" 1
1011 1 43 ARG HD3 1 47 GLU QG . . 5.500 4.236 3.701 4.844 . 0 0 "[ . 1 . 2]" 1
1012 1 43 ARG HE 1 43 ARG HG2 . . 3.680 2.516 2.356 2.662 . 0 0 "[ . 1 . 2]" 1
1013 1 43 ARG HE 1 43 ARG HG3 . . 3.760 2.626 2.525 2.758 . 0 0 "[ . 1 . 2]" 1
1014 1 43 ARG HG2 1 44 THR H . . 5.230 4.756 4.695 4.855 . 0 0 "[ . 1 . 2]" 1
1015 1 43 ARG HG3 1 44 THR H . . 4.920 4.613 4.479 4.760 . 0 0 "[ . 1 . 2]" 1
1016 1 44 THR H 1 44 THR MG . . 3.080 2.648 2.339 3.083 0.003 7 0 "[ . 1 . 2]" 1
1017 1 44 THR H 1 45 LYS H . . 4.970 4.343 4.311 4.376 . 0 0 "[ . 1 . 2]" 1
1018 1 44 THR H 1 45 LYS HA . . 5.440 5.032 4.994 5.089 . 0 0 "[ . 1 . 2]" 1
1019 1 44 THR H 1 47 GLU H . . 4.370 3.200 3.069 3.308 . 0 0 "[ . 1 . 2]" 1
1020 1 44 THR H 1 47 GLU HA . . 5.500 4.836 4.729 4.980 . 0 0 "[ . 1 . 2]" 1
1021 1 44 THR H 1 47 GLU HB2 . . 3.270 1.981 1.898 2.174 . 0 0 "[ . 1 . 2]" 1
1022 1 44 THR H 1 47 GLU HB3 . . 3.920 3.401 3.094 3.689 . 0 0 "[ . 1 . 2]" 1
1023 1 44 THR H 1 47 GLU QG . . 4.140 3.623 2.888 4.142 0.002 14 0 "[ . 1 . 2]" 1
1024 1 44 THR H 1 48 CYS H . . 4.900 2.425 2.267 2.546 . 0 0 "[ . 1 . 2]" 1
1025 1 44 THR HA 1 44 THR MG . . 3.280 2.999 2.398 3.207 . 0 0 "[ . 1 . 2]" 1
1026 1 44 THR HA 1 45 LYS H . . 3.040 2.436 2.319 2.649 . 0 0 "[ . 1 . 2]" 1
1027 1 44 THR HA 1 45 LYS HA . . 5.040 4.301 4.294 4.318 . 0 0 "[ . 1 . 2]" 1
1028 1 44 THR HA 1 46 GLU H . . 4.740 4.498 4.258 4.638 . 0 0 "[ . 1 . 2]" 1
1029 1 44 THR HA 1 47 GLU H . . 5.040 4.514 4.404 4.659 . 0 0 "[ . 1 . 2]" 1
1030 1 44 THR MG 1 45 LYS H . . 3.710 3.514 3.300 3.712 0.002 14 0 "[ . 1 . 2]" 1
1031 1 44 THR MG 1 46 GLU H . . 4.420 2.904 1.971 4.422 0.002 18 0 "[ . 1 . 2]" 1
1032 1 44 THR MG 1 46 GLU HB2 . . 4.860 2.701 1.958 4.719 . 0 0 "[ . 1 . 2]" 1
1033 1 44 THR MG 1 47 GLU H . . 4.470 2.613 1.874 4.423 . 0 0 "[ . 1 . 2]" 1
1034 1 44 THR MG 1 47 GLU HB2 . . 4.440 2.819 2.098 4.310 . 0 0 "[ . 1 . 2]" 1
1035 1 44 THR MG 1 47 GLU QG . . 4.610 2.880 2.068 4.546 . 0 0 "[ . 1 . 2]" 1
1036 1 45 LYS H 1 45 LYS HB2 . . 3.800 3.602 3.582 3.622 . 0 0 "[ . 1 . 2]" 1
1037 1 45 LYS H 1 45 LYS HB3 . . 3.810 2.541 2.410 2.684 . 0 0 "[ . 1 . 2]" 1
1038 1 45 LYS H 1 45 LYS QD . . 4.080 3.709 3.357 4.077 . 0 0 "[ . 1 . 2]" 1
1039 1 45 LYS H 1 45 LYS HG2 . . 4.030 2.186 1.896 2.425 . 0 0 "[ . 1 . 2]" 1
1040 1 45 LYS H 1 45 LYS QG . . 3.530 2.161 1.879 2.398 . 0 0 "[ . 1 . 2]" 1
1041 1 45 LYS H 1 45 LYS HG3 . . 4.030 3.444 3.029 3.782 . 0 0 "[ . 1 . 2]" 1
1042 1 45 LYS H 1 46 GLU H . . 3.580 2.932 2.621 3.157 . 0 0 "[ . 1 . 2]" 1
1043 1 45 LYS H 1 47 GLU H . . 5.060 4.239 4.036 4.419 . 0 0 "[ . 1 . 2]" 1
1044 1 45 LYS H 1 48 CYS H . . 5.180 4.767 4.664 4.871 . 0 0 "[ . 1 . 2]" 1
1045 1 45 LYS HA 1 46 GLU HA . . 5.350 4.807 4.754 4.865 . 0 0 "[ . 1 . 2]" 1
1046 1 45 LYS HA 1 48 CYS H . . 4.640 4.061 3.956 4.159 . 0 0 "[ . 1 . 2]" 1
1047 1 45 LYS HA 1 48 CYS HB2 . . 3.770 2.751 2.521 2.990 . 0 0 "[ . 1 . 2]" 1
1048 1 45 LYS HA 1 48 CYS HB3 . . 4.600 4.289 4.022 4.607 0.007 7 0 "[ . 1 . 2]" 1
1049 1 45 LYS HB2 1 46 GLU H . . 4.870 3.560 3.356 3.744 . 0 0 "[ . 1 . 2]" 1
1050 1 45 LYS HB2 1 47 GLU H . . 5.500 5.488 5.345 5.513 0.013 7 0 "[ . 1 . 2]" 1
1051 1 45 LYS HB2 1 49 ARG H . . 5.060 5.035 4.927 5.069 0.009 13 0 "[ . 1 . 2]" 1
1052 1 45 LYS HB3 1 45 LYS QD . . 3.670 2.273 2.070 2.566 . 0 0 "[ . 1 . 2]" 1
1053 1 45 LYS HB3 1 46 GLU H . . 4.170 3.882 3.768 4.026 . 0 0 "[ . 1 . 2]" 1
1054 1 45 LYS QE 1 45 LYS QG . . 3.250 2.157 2.010 2.347 . 0 0 "[ . 1 . 2]" 1
1055 1 45 LYS QE 1 46 GLU H . . 5.040 3.869 3.527 4.218 . 0 0 "[ . 1 . 2]" 1
1056 1 45 LYS QG 1 46 GLU QG . . 4.710 2.336 2.054 3.492 . 0 0 "[ . 1 . 2]" 1
1057 1 45 LYS QG 1 47 GLU H . . 5.230 4.241 4.143 4.334 . 0 0 "[ . 1 . 2]" 1
1058 1 45 LYS HG2 1 46 GLU H . . 3.370 2.383 1.935 2.997 . 0 0 "[ . 1 . 2]" 1
1059 1 45 LYS HG3 1 46 GLU H . . 3.370 2.118 1.898 2.501 . 0 0 "[ . 1 . 2]" 1
1060 1 46 GLU H 1 46 GLU HB2 . . 3.120 2.420 2.271 2.527 . 0 0 "[ . 1 . 2]" 1
1061 1 46 GLU H 1 46 GLU HB3 . . 4.100 3.579 3.540 3.591 . 0 0 "[ . 1 . 2]" 1
1062 1 46 GLU H 1 46 GLU HG2 . . 4.400 3.123 2.142 3.991 . 0 0 "[ . 1 . 2]" 1
1063 1 46 GLU H 1 46 GLU QG . . 3.660 2.372 2.096 3.392 . 0 0 "[ . 1 . 2]" 1
1064 1 46 GLU H 1 46 GLU HG3 . . 4.400 2.904 2.116 3.903 . 0 0 "[ . 1 . 2]" 1
1065 1 46 GLU H 1 47 GLU H . . 3.250 2.703 2.542 2.903 . 0 0 "[ . 1 . 2]" 1
1066 1 46 GLU H 1 47 GLU HB2 . . 5.160 4.826 4.541 5.044 . 0 0 "[ . 1 . 2]" 1
1067 1 46 GLU H 1 47 GLU QG . . 5.500 4.891 3.961 5.503 0.003 17 0 "[ . 1 . 2]" 1
1068 1 46 GLU H 1 49 ARG H . . 5.310 4.788 4.717 4.932 . 0 0 "[ . 1 . 2]" 1
1069 1 46 GLU HA 1 46 GLU HG2 . . 3.980 2.759 2.327 3.587 . 0 0 "[ . 1 . 2]" 1
1070 1 46 GLU HA 1 46 GLU QG . . 3.410 2.541 2.281 2.935 . 0 0 "[ . 1 . 2]" 1
1071 1 46 GLU HA 1 46 GLU HG3 . . 3.980 3.190 2.308 3.770 . 0 0 "[ . 1 . 2]" 1
1072 1 46 GLU HA 1 47 GLU HA . . 5.500 4.655 4.627 4.676 . 0 0 "[ . 1 . 2]" 1
1073 1 46 GLU HA 1 48 CYS H . . 5.500 5.483 5.349 5.516 0.016 17 0 "[ . 1 . 2]" 1
1074 1 46 GLU HA 1 49 ARG H . . 4.680 4.325 4.222 4.444 . 0 0 "[ . 1 . 2]" 1
1075 1 46 GLU HA 1 49 ARG HB2 . . 4.360 4.252 4.066 4.368 0.008 6 0 "[ . 1 . 2]" 1
1076 1 46 GLU HA 1 49 ARG HB3 . . 3.660 3.375 3.137 3.587 . 0 0 "[ . 1 . 2]" 1
1077 1 46 GLU HA 1 50 ASP H . . 4.840 4.563 4.328 4.843 0.003 13 0 "[ . 1 . 2]" 1
1078 1 46 GLU HB2 1 47 GLU H . . 3.440 2.728 2.587 2.867 . 0 0 "[ . 1 . 2]" 1
1079 1 46 GLU HB2 1 48 CYS H . . 5.500 5.378 5.230 5.475 . 0 0 "[ . 1 . 2]" 1
1080 1 46 GLU HB3 1 47 GLU H . . 3.820 3.617 3.356 3.771 . 0 0 "[ . 1 . 2]" 1
1081 1 46 GLU QG 1 47 GLU H . . 4.630 4.193 4.047 4.517 . 0 0 "[ . 1 . 2]" 1
1082 1 47 GLU H 1 47 GLU HB2 . . 2.980 2.329 2.210 2.621 . 0 0 "[ . 1 . 2]" 1
1083 1 47 GLU H 1 47 GLU HB3 . . 3.770 3.573 3.504 3.647 . 0 0 "[ . 1 . 2]" 1
1084 1 47 GLU H 1 47 GLU QG . . 3.670 2.858 2.142 3.457 . 0 0 "[ . 1 . 2]" 1
1085 1 47 GLU H 1 48 CYS H . . 3.190 2.663 2.558 2.730 . 0 0 "[ . 1 . 2]" 1
1086 1 47 GLU H 1 48 CYS HA . . 5.390 5.189 5.097 5.251 . 0 0 "[ . 1 . 2]" 1
1087 1 47 GLU H 1 48 CYS HB2 . . 4.890 4.438 4.353 4.631 . 0 0 "[ . 1 . 2]" 1
1088 1 47 GLU H 1 49 ARG H . . 4.620 3.722 3.611 3.904 . 0 0 "[ . 1 . 2]" 1
1089 1 47 GLU H 1 49 ARG HB3 . . 5.500 4.725 4.567 5.064 . 0 0 "[ . 1 . 2]" 1
1090 1 47 GLU HA 1 47 GLU QG . . 3.570 2.543 2.186 2.925 . 0 0 "[ . 1 . 2]" 1
1091 1 47 GLU HA 1 50 ASP H . . 4.340 3.800 3.529 3.973 . 0 0 "[ . 1 . 2]" 1
1092 1 47 GLU HA 1 50 ASP QB . . 3.640 3.333 3.028 3.635 . 0 0 "[ . 1 . 2]" 1
1093 1 47 GLU HB2 1 48 CYS H . . 3.240 2.231 1.998 2.364 . 0 0 "[ . 1 . 2]" 1
1094 1 47 GLU HB2 1 49 ARG H . . 5.500 4.688 4.541 4.889 . 0 0 "[ . 1 . 2]" 1
1095 1 47 GLU HB3 1 48 CYS H . . 3.760 2.941 2.724 3.281 . 0 0 "[ . 1 . 2]" 1
1096 1 47 GLU QG 1 48 CYS H . . 4.470 4.021 3.614 4.181 . 0 0 "[ . 1 . 2]" 1
1097 1 48 CYS H 1 48 CYS HB2 . . 3.100 2.533 2.375 2.672 . 0 0 "[ . 1 . 2]" 1
1098 1 48 CYS H 1 48 CYS HB3 . . 3.620 3.606 3.585 3.623 0.003 16 0 "[ . 1 . 2]" 1
1099 1 48 CYS H 1 49 ARG H . . 3.250 2.930 2.878 2.996 . 0 0 "[ . 1 . 2]" 1
1100 1 48 CYS H 1 49 ARG HB2 . . 5.500 5.472 5.386 5.520 0.020 16 0 "[ . 1 . 2]" 1
1101 1 48 CYS HA 1 51 HIS H . . 4.220 3.939 3.659 4.236 0.016 19 0 "[ . 1 . 2]" 1
1102 1 48 CYS HA 1 51 HIS HB2 . . 3.970 3.544 3.263 3.887 . 0 0 "[ . 1 . 2]" 1
1103 1 48 CYS HA 1 51 HIS HB3 . . 4.100 2.351 2.119 2.647 . 0 0 "[ . 1 . 2]" 1
1104 1 48 CYS HA 1 52 TYR H . . 4.520 4.190 3.931 4.400 . 0 0 "[ . 1 . 2]" 1
1105 1 48 CYS HA 1 52 TYR QB . . 5.190 4.645 4.327 4.903 . 0 0 "[ . 1 . 2]" 1
1106 1 48 CYS HB2 1 49 ARG H . . 3.380 2.782 2.549 2.967 . 0 0 "[ . 1 . 2]" 1
1107 1 48 CYS HB3 1 49 ARG H . . 3.660 3.660 3.605 3.674 0.014 16 0 "[ . 1 . 2]" 1
1108 1 48 CYS HB3 1 49 ARG HA . . 5.500 4.345 4.218 4.470 . 0 0 "[ . 1 . 2]" 1
1109 1 49 ARG H 1 49 ARG HB2 . . 3.120 2.674 2.533 2.752 . 0 0 "[ . 1 . 2]" 1
1110 1 49 ARG H 1 49 ARG HB3 . . 3.080 2.388 2.332 2.519 . 0 0 "[ . 1 . 2]" 1
1111 1 49 ARG H 1 49 ARG QD . . 4.810 4.492 4.357 4.691 . 0 0 "[ . 1 . 2]" 1
1112 1 49 ARG H 1 49 ARG HG2 . . 4.810 4.365 4.311 4.464 . 0 0 "[ . 1 . 2]" 1
1113 1 49 ARG H 1 49 ARG QG . . 4.170 3.946 3.921 3.972 . 0 0 "[ . 1 . 2]" 1
1114 1 49 ARG H 1 49 ARG HG3 . . 4.810 4.502 4.453 4.551 . 0 0 "[ . 1 . 2]" 1
1115 1 49 ARG H 1 50 ASP H . . 3.350 3.026 2.818 3.129 . 0 0 "[ . 1 . 2]" 1
1116 1 49 ARG H 1 51 HIS H . . 4.710 3.928 3.647 4.104 . 0 0 "[ . 1 . 2]" 1
1117 1 49 ARG H 1 51 HIS HB2 . . 5.500 5.513 5.505 5.524 0.024 19 0 "[ . 1 . 2]" 1
1118 1 49 ARG H 1 52 TYR H . . 5.240 4.826 4.718 4.952 . 0 0 "[ . 1 . 2]" 1
1119 1 49 ARG H 1 52 TYR QB . . 5.470 5.278 5.107 5.407 . 0 0 "[ . 1 . 2]" 1
1120 1 49 ARG HA 1 49 ARG HD2 . . 5.040 4.487 4.016 4.949 . 0 0 "[ . 1 . 2]" 1
1121 1 49 ARG HA 1 49 ARG HD3 . . 5.040 4.609 4.067 5.013 . 0 0 "[ . 1 . 2]" 1
1122 1 49 ARG HA 1 49 ARG HG2 . . 4.070 3.327 3.010 3.525 . 0 0 "[ . 1 . 2]" 1
1123 1 49 ARG HA 1 49 ARG QG . . 3.420 2.544 2.434 2.619 . 0 0 "[ . 1 . 2]" 1
1124 1 49 ARG HA 1 49 ARG HG3 . . 4.070 2.650 2.525 2.804 . 0 0 "[ . 1 . 2]" 1
1125 1 49 ARG HA 1 51 HIS H . . 5.170 4.559 3.896 4.986 . 0 0 "[ . 1 . 2]" 1
1126 1 49 ARG HA 1 52 TYR H . . 4.410 3.899 3.490 4.133 . 0 0 "[ . 1 . 2]" 1
1127 1 49 ARG HA 1 52 TYR QB . . 3.820 3.541 3.294 3.817 . 0 0 "[ . 1 . 2]" 1
1128 1 49 ARG HA 1 53 LEU H . . 5.050 4.633 4.410 4.918 . 0 0 "[ . 1 . 2]" 1
1129 1 49 ARG HA 1 53 LEU MD1 . . 4.560 4.050 3.695 4.409 . 0 0 "[ . 1 . 2]" 1
1130 1 49 ARG HB2 1 49 ARG HD2 . . 4.070 2.928 2.181 3.670 . 0 0 "[ . 1 . 2]" 1
1131 1 49 ARG HB2 1 49 ARG QD . . 3.540 2.401 2.145 2.978 . 0 0 "[ . 1 . 2]" 1
1132 1 49 ARG HB2 1 49 ARG HD3 . . 4.070 2.888 2.240 3.820 . 0 0 "[ . 1 . 2]" 1
1133 1 49 ARG HB2 1 50 ASP H . . 4.120 3.594 3.499 3.670 . 0 0 "[ . 1 . 2]" 1
1134 1 49 ARG HB3 1 49 ARG QD . . 3.620 2.586 2.198 3.000 . 0 0 "[ . 1 . 2]" 1
1135 1 49 ARG HB3 1 50 ASP H . . 3.250 2.085 1.939 2.174 . 0 0 "[ . 1 . 2]" 1
1136 1 49 ARG HB3 1 51 HIS H . . 5.090 4.511 4.249 4.786 . 0 0 "[ . 1 . 2]" 1
1137 1 49 ARG QD 1 53 LEU MD1 . . 4.300 3.447 2.865 4.005 . 0 0 "[ . 1 . 2]" 1
1138 1 49 ARG HD2 1 53 LEU MD1 . . 5.010 3.925 2.938 4.651 . 0 0 "[ . 1 . 2]" 1
1139 1 49 ARG HD3 1 53 LEU MD1 . . 5.010 4.060 3.080 4.619 . 0 0 "[ . 1 . 2]" 1
1140 1 49 ARG QG 1 50 ASP H . . 3.870 2.615 2.436 2.903 . 0 0 "[ . 1 . 2]" 1
1141 1 49 ARG QG 1 50 ASP HA . . 4.800 3.091 2.940 3.293 . 0 0 "[ . 1 . 2]" 1
1142 1 49 ARG HG2 1 50 ASP H . . 4.510 2.659 2.464 2.968 . 0 0 "[ . 1 . 2]" 1
1143 1 49 ARG HG3 1 50 ASP H . . 4.510 3.883 3.607 4.166 . 0 0 "[ . 1 . 2]" 1
1144 1 50 ASP H 1 50 ASP HB2 . . 3.570 2.400 2.238 2.790 . 0 0 "[ . 1 . 2]" 1
1145 1 50 ASP H 1 50 ASP QB . . 2.910 2.288 2.184 2.695 . 0 0 "[ . 1 . 2]" 1
1146 1 50 ASP H 1 50 ASP HB3 . . 3.570 3.185 2.371 3.577 0.007 15 0 "[ . 1 . 2]" 1
1147 1 50 ASP H 1 51 HIS HB3 . . 4.770 4.746 4.691 4.780 0.010 17 0 "[ . 1 . 2]" 1
1148 1 50 ASP H 1 53 LEU MD1 . . 4.850 3.926 3.577 4.266 . 0 0 "[ . 1 . 2]" 1
1149 1 50 ASP HA 1 53 LEU H . . 4.230 3.110 2.990 3.305 . 0 0 "[ . 1 . 2]" 1
1150 1 50 ASP HA 1 53 LEU HB2 . . 3.850 2.269 2.065 2.479 . 0 0 "[ . 1 . 2]" 1
1151 1 50 ASP HA 1 53 LEU HB3 . . 4.590 3.944 3.722 4.133 . 0 0 "[ . 1 . 2]" 1
1152 1 50 ASP HA 1 53 LEU MD1 . . 3.860 2.521 1.981 2.925 . 0 0 "[ . 1 . 2]" 1
1153 1 50 ASP HA 1 53 LEU HG . . 4.420 3.739 3.341 4.089 . 0 0 "[ . 1 . 2]" 1
1154 1 50 ASP HA 1 54 LYS H . . 4.570 4.221 3.934 4.493 . 0 0 "[ . 1 . 2]" 1
1155 1 50 ASP QB 1 51 HIS H . . 3.370 2.620 2.331 3.020 . 0 0 "[ . 1 . 2]" 1
1156 1 50 ASP HB2 1 51 HIS H . . 4.150 3.192 2.448 3.999 . 0 0 "[ . 1 . 2]" 1
1157 1 50 ASP HB3 1 51 HIS H . . 4.150 3.146 2.353 3.964 . 0 0 "[ . 1 . 2]" 1
1158 1 51 HIS H 1 51 HIS HB2 . . 3.100 2.721 2.548 2.920 . 0 0 "[ . 1 . 2]" 1
1159 1 51 HIS H 1 51 HIS HB3 . . 3.030 2.388 2.228 2.576 . 0 0 "[ . 1 . 2]" 1
1160 1 51 HIS H 1 51 HIS HD2 . . 5.370 4.986 4.757 5.204 . 0 0 "[ . 1 . 2]" 1
1161 1 51 HIS H 1 52 TYR QB . . 4.920 4.654 4.345 4.813 . 0 0 "[ . 1 . 2]" 1
1162 1 51 HIS HA 1 54 LYS H . . 4.500 3.725 3.457 3.992 . 0 0 "[ . 1 . 2]" 1
1163 1 51 HIS HA 1 54 LYS QB . . 3.790 3.662 2.690 3.843 0.053 17 0 "[ . 1 . 2]" 1
1164 1 51 HIS HA 1 54 LYS QD . . 4.300 2.847 2.088 4.221 . 0 0 "[ . 1 . 2]" 1
1165 1 51 HIS HA 1 54 LYS QE . . 5.500 3.742 1.988 5.275 . 0 0 "[ . 1 . 2]" 1
1166 1 51 HIS HA 1 54 LYS HG2 . . 4.520 2.321 1.974 4.520 0.000 19 0 "[ . 1 . 2]" 1
1167 1 51 HIS HA 1 54 LYS HG3 . . 4.520 3.288 2.151 3.957 . 0 0 "[ . 1 . 2]" 1
1168 1 51 HIS HB2 1 51 HIS HD2 . . 3.950 3.740 3.630 3.800 . 0 0 "[ . 1 . 2]" 1
1169 1 51 HIS HB2 1 52 TYR H . . 4.080 4.021 3.914 4.084 0.004 7 0 "[ . 1 . 2]" 1
1170 1 51 HIS HB3 1 52 TYR H . . 3.910 2.705 2.531 2.800 . 0 0 "[ . 1 . 2]" 1
1171 1 51 HIS HD2 1 52 TYR H . . 4.820 3.834 3.414 4.085 . 0 0 "[ . 1 . 2]" 1
1172 1 51 HIS HD2 1 52 TYR HA . . 5.120 4.056 3.655 4.519 . 0 0 "[ . 1 . 2]" 1
1173 1 51 HIS HD2 1 56 TYR QE . . 5.330 4.460 3.961 5.201 . 0 0 "[ . 1 . 2]" 1
1174 1 52 TYR H 1 52 TYR QB . . 2.750 2.279 2.260 2.305 . 0 0 "[ . 1 . 2]" 1
1175 1 52 TYR H 1 52 TYR QD . . 4.310 4.201 4.154 4.222 . 0 0 "[ . 1 . 2]" 1
1176 1 52 TYR H 1 53 LEU HB2 . . 4.730 4.590 4.531 4.732 0.002 19 0 "[ . 1 . 2]" 1
1177 1 52 TYR H 1 53 LEU MD1 . . 5.160 4.870 4.709 4.996 . 0 0 "[ . 1 . 2]" 1
1178 1 52 TYR H 1 54 LYS H . . 4.750 3.771 3.601 3.954 . 0 0 "[ . 1 . 2]" 1
1179 1 52 TYR H 1 55 THR H . . 5.190 4.523 4.341 4.909 . 0 0 "[ . 1 . 2]" 1
1180 1 52 TYR HA 1 52 TYR QD . . 3.480 3.180 3.149 3.224 . 0 0 "[ . 1 . 2]" 1
1181 1 52 TYR HA 1 55 THR H . . 5.150 3.220 3.023 3.464 . 0 0 "[ . 1 . 2]" 1
1182 1 52 TYR HA 1 55 THR HB . . 4.480 2.696 2.510 3.097 . 0 0 "[ . 1 . 2]" 1
1183 1 52 TYR HA 1 55 THR MG . . 4.990 4.111 3.980 4.482 . 0 0 "[ . 1 . 2]" 1
1184 1 52 TYR HA 1 56 TYR H . . 3.950 3.102 2.738 3.275 . 0 0 "[ . 1 . 2]" 1
1185 1 52 TYR HA 1 56 TYR HB2 . . 5.350 3.962 3.693 4.129 . 0 0 "[ . 1 . 2]" 1
1186 1 52 TYR HA 1 56 TYR HB3 . . 5.500 5.450 5.264 5.510 0.010 16 0 "[ . 1 . 2]" 1
1187 1 52 TYR HA 1 56 TYR QD . . 3.440 2.154 1.999 2.469 . 0 0 "[ . 1 . 2]" 1
1188 1 52 TYR HA 1 56 TYR QE . . 4.360 3.038 2.493 3.619 . 0 0 "[ . 1 . 2]" 1
1189 1 52 TYR QB 1 53 LEU H . . 3.140 2.677 2.403 2.945 . 0 0 "[ . 1 . 2]" 1
1190 1 52 TYR QB 1 53 LEU MD1 . . 4.930 4.382 4.173 4.638 . 0 0 "[ . 1 . 2]" 1
1191 1 52 TYR QB 1 53 LEU MD2 . . 4.880 4.194 4.028 4.504 . 0 0 "[ . 1 . 2]" 1
1192 1 52 TYR QB 1 53 LEU HG . . 4.290 3.272 3.082 3.533 . 0 0 "[ . 1 . 2]" 1
1193 1 52 TYR QB 1 54 LYS H . . 4.940 4.446 4.268 4.658 . 0 0 "[ . 1 . 2]" 1
1194 1 52 TYR QB 1 56 TYR QD . . 4.940 3.774 3.473 4.048 . 0 0 "[ . 1 . 2]" 1
1195 1 52 TYR QD 1 53 LEU H . . 3.690 3.444 3.205 3.692 0.002 6 0 "[ . 1 . 2]" 1
1196 1 52 TYR QD 1 53 LEU HA . . 3.930 2.821 2.636 3.007 . 0 0 "[ . 1 . 2]" 1
1197 1 52 TYR QD 1 53 LEU MD1 . . 5.070 4.822 4.588 4.952 . 0 0 "[ . 1 . 2]" 1
1198 1 52 TYR QD 1 53 LEU MD2 . . 3.650 3.195 2.914 3.376 . 0 0 "[ . 1 . 2]" 1
1199 1 52 TYR QD 1 53 LEU HG . . 3.680 3.405 3.100 3.572 . 0 0 "[ . 1 . 2]" 1
1200 1 52 TYR QD 1 56 TYR HB2 . . 4.800 2.847 2.502 3.327 . 0 0 "[ . 1 . 2]" 1
1201 1 52 TYR QD 1 56 TYR HB3 . . 4.960 4.202 3.898 4.614 . 0 0 "[ . 1 . 2]" 1
1202 1 52 TYR QD 1 57 ILE H . . 5.280 3.908 3.176 4.347 . 0 0 "[ . 1 . 2]" 1
1203 1 52 TYR QE 1 53 LEU MD2 . . 4.270 4.163 3.779 4.274 0.004 9 0 "[ . 1 . 2]" 1
1204 1 52 TYR QE 1 53 LEU HG . . 5.500 5.365 5.105 5.507 0.007 16 0 "[ . 1 . 2]" 1
1205 1 52 TYR QE 1 56 TYR HB2 . . 4.500 2.805 2.394 3.415 . 0 0 "[ . 1 . 2]" 1
1206 1 52 TYR QE 1 56 TYR HB3 . . 4.850 3.131 2.589 3.828 . 0 0 "[ . 1 . 2]" 1
1207 1 52 TYR QE 1 57 ILE MD . . 4.850 3.340 1.922 3.994 . 0 0 "[ . 1 . 2]" 1
1208 1 52 TYR QE 1 57 ILE HG12 . . 5.500 3.947 3.332 4.764 . 0 0 "[ . 1 . 2]" 1
1209 1 52 TYR QE 1 57 ILE QG . . 4.730 3.767 3.267 4.235 . 0 0 "[ . 1 . 2]" 1
1210 1 52 TYR QE 1 57 ILE HG13 . . 5.500 4.965 4.419 5.500 0.000 7 0 "[ . 1 . 2]" 1
1211 1 53 LEU H 1 53 LEU HB2 . . 3.130 2.394 2.291 2.461 . 0 0 "[ . 1 . 2]" 1
1212 1 53 LEU H 1 53 LEU HB3 . . 4.060 3.585 3.557 3.600 . 0 0 "[ . 1 . 2]" 1
1213 1 53 LEU H 1 53 LEU MD1 . . 3.810 3.448 3.270 3.629 . 0 0 "[ . 1 . 2]" 1
1214 1 53 LEU H 1 53 LEU MD2 . . 4.000 3.767 3.572 3.956 . 0 0 "[ . 1 . 2]" 1
1215 1 53 LEU H 1 53 LEU HG . . 3.090 2.518 2.310 2.778 . 0 0 "[ . 1 . 2]" 1
1216 1 53 LEU H 1 54 LYS H . . 3.360 2.502 2.283 2.642 . 0 0 "[ . 1 . 2]" 1
1217 1 53 LEU H 1 55 THR H . . 5.420 3.978 3.704 4.251 . 0 0 "[ . 1 . 2]" 1
1218 1 53 LEU H 1 56 TYR HB2 . . 5.500 5.198 5.065 5.354 . 0 0 "[ . 1 . 2]" 1
1219 1 53 LEU H 1 57 ILE QG . . 5.340 5.014 4.519 5.341 0.001 17 0 "[ . 1 . 2]" 1
1220 1 53 LEU HA 1 53 LEU MD1 . . 4.370 3.899 3.869 3.925 . 0 0 "[ . 1 . 2]" 1
1221 1 53 LEU HA 1 53 LEU MD2 . . 3.120 2.294 2.077 2.558 . 0 0 "[ . 1 . 2]" 1
1222 1 53 LEU HA 1 53 LEU HG . . 3.660 2.883 2.767 2.947 . 0 0 "[ . 1 . 2]" 1
1223 1 53 LEU HA 1 56 TYR H . . 5.010 4.219 3.963 4.536 . 0 0 "[ . 1 . 2]" 1
1224 1 53 LEU HA 1 56 TYR HB2 . . 5.500 3.817 3.599 4.139 . 0 0 "[ . 1 . 2]" 1
1225 1 53 LEU HA 1 56 TYR HB3 . . 5.500 5.327 5.141 5.503 0.003 17 0 "[ . 1 . 2]" 1
1226 1 53 LEU HA 1 57 ILE H . . 4.120 3.119 2.663 3.581 . 0 0 "[ . 1 . 2]" 1
1227 1 53 LEU HA 1 57 ILE HB . . 4.070 3.038 2.011 3.688 . 0 0 "[ . 1 . 2]" 1
1228 1 53 LEU HA 1 57 ILE MD . . 4.600 3.712 1.979 4.304 . 0 0 "[ . 1 . 2]" 1
1229 1 53 LEU HA 1 57 ILE HG12 . . 4.560 2.604 2.135 2.983 . 0 0 "[ . 1 . 2]" 1
1230 1 53 LEU HA 1 57 ILE QG . . 3.910 2.501 2.044 2.917 . 0 0 "[ . 1 . 2]" 1
1231 1 53 LEU HA 1 57 ILE HG13 . . 4.560 3.355 2.610 4.197 . 0 0 "[ . 1 . 2]" 1
1232 1 53 LEU HA 1 57 ILE MG . . 4.890 4.287 3.591 4.641 . 0 0 "[ . 1 . 2]" 1
1233 1 53 LEU HB2 1 53 LEU MD1 . . 3.370 2.201 2.028 2.322 . 0 0 "[ . 1 . 2]" 1
1234 1 53 LEU HB2 1 54 LYS H . . 3.670 3.329 3.134 3.383 . 0 0 "[ . 1 . 2]" 1
1235 1 53 LEU HB3 1 53 LEU MD1 . . 3.340 2.499 2.386 2.634 . 0 0 "[ . 1 . 2]" 1
1236 1 53 LEU HB3 1 53 LEU MD2 . . 3.450 2.182 2.035 2.316 . 0 0 "[ . 1 . 2]" 1
1237 1 53 LEU HB3 1 54 LYS H . . 4.480 4.101 3.909 4.181 . 0 0 "[ . 1 . 2]" 1
1238 1 53 LEU MD1 1 54 LYS H . . 5.080 4.939 4.797 5.083 0.003 16 0 "[ . 1 . 2]" 1
1239 1 53 LEU MD2 1 54 LYS H . . 5.120 4.911 4.844 5.028 . 0 0 "[ . 1 . 2]" 1
1240 1 53 LEU MD2 1 57 ILE QG . . 4.050 2.424 1.848 2.819 . 0 0 "[ . 1 . 2]" 1
1241 1 53 LEU HG 1 54 LYS H . . 5.420 4.658 4.578 4.746 . 0 0 "[ . 1 . 2]" 1
1242 1 54 LYS H 1 54 LYS QB . . 2.990 2.650 2.507 2.756 . 0 0 "[ . 1 . 2]" 1
1243 1 54 LYS H 1 54 LYS QD . . 4.850 4.200 3.898 4.514 . 0 0 "[ . 1 . 2]" 1
1244 1 54 LYS H 1 54 LYS HG2 . . 4.710 2.701 2.433 3.579 . 0 0 "[ . 1 . 2]" 1
1245 1 54 LYS H 1 54 LYS QG . . 3.920 2.463 2.387 2.613 . 0 0 "[ . 1 . 2]" 1
1246 1 54 LYS H 1 54 LYS HG3 . . 4.710 3.225 2.439 3.741 . 0 0 "[ . 1 . 2]" 1
1247 1 54 LYS H 1 55 THR H . . 3.300 1.997 1.907 2.150 . 0 0 "[ . 1 . 2]" 1
1248 1 54 LYS H 1 55 THR MG . . 5.500 5.372 5.297 5.504 0.004 19 0 "[ . 1 . 2]" 1
1249 1 54 LYS H 1 56 TYR H . . 4.850 3.709 3.484 4.238 . 0 0 "[ . 1 . 2]" 1
1250 1 54 LYS H 1 57 ILE HB . . 5.500 4.762 4.355 4.984 . 0 0 "[ . 1 . 2]" 1
1251 1 54 LYS HA 1 54 LYS QD . . 4.880 4.215 3.473 4.480 . 0 0 "[ . 1 . 2]" 1
1252 1 54 LYS HA 1 54 LYS QE . . 5.500 4.586 3.246 5.509 0.009 5 0 "[ . 1 . 2]" 1
1253 1 54 LYS HA 1 54 LYS QG . . 3.740 3.230 2.408 3.438 . 0 0 "[ . 1 . 2]" 1
1254 1 54 LYS HA 1 55 THR H . . 3.550 3.458 3.314 3.517 . 0 0 "[ . 1 . 2]" 1
1255 1 54 LYS HA 1 56 TYR H . . 5.500 4.889 4.573 5.347 . 0 0 "[ . 1 . 2]" 1
1256 1 54 LYS HA 1 57 ILE HB . . 4.750 3.942 3.301 4.477 . 0 0 "[ . 1 . 2]" 1
1257 1 54 LYS HA 1 58 GLU H . . 3.810 2.910 2.596 3.374 . 0 0 "[ . 1 . 2]" 1
1258 1 54 LYS HA 1 58 GLU QB . . 3.990 2.162 1.875 3.217 . 0 0 "[ . 1 . 2]" 1
1259 1 54 LYS QB 1 55 THR H . . 3.970 3.499 2.655 3.793 . 0 0 "[ . 1 . 2]" 1
1260 1 54 LYS HB2 1 55 THR H . . 4.560 4.031 2.709 4.388 . 0 0 "[ . 1 . 2]" 1
1261 1 54 LYS HB3 1 55 THR H . . 4.560 3.899 3.775 4.179 . 0 0 "[ . 1 . 2]" 1
1262 1 54 LYS QG 1 55 THR H . . 4.520 2.573 2.274 4.149 . 0 0 "[ . 1 . 2]" 1
1263 1 55 THR H 1 55 THR HB . . 3.280 2.468 2.385 2.571 . 0 0 "[ . 1 . 2]" 1
1264 1 55 THR H 1 55 THR MG . . 3.950 3.775 3.732 3.823 . 0 0 "[ . 1 . 2]" 1
1265 1 55 THR H 1 56 TYR H . . 3.120 2.391 2.101 2.651 . 0 0 "[ . 1 . 2]" 1
1266 1 55 THR H 1 56 TYR HA . . 5.420 5.040 4.800 5.192 . 0 0 "[ . 1 . 2]" 1
1267 1 55 THR H 1 56 TYR HB2 . . 4.990 4.480 4.257 4.602 . 0 0 "[ . 1 . 2]" 1
1268 1 55 THR H 1 56 TYR QD . . 4.710 3.527 3.184 4.256 . 0 0 "[ . 1 . 2]" 1
1269 1 55 THR H 1 58 GLU H . . 4.780 4.302 3.897 4.616 . 0 0 "[ . 1 . 2]" 1
1270 1 55 THR HA 1 55 THR MG . . 3.290 2.443 2.366 2.487 . 0 0 "[ . 1 . 2]" 1
1271 1 55 THR HA 1 57 ILE H . . 5.500 5.403 4.545 5.505 0.005 12 0 "[ . 1 . 2]" 1
1272 1 55 THR HB 1 56 TYR H . . 3.540 2.503 2.178 2.729 . 0 0 "[ . 1 . 2]" 1
1273 1 55 THR HB 1 56 TYR QD . . 4.030 2.357 2.145 3.016 . 0 0 "[ . 1 . 2]" 1
1274 1 55 THR HB 1 56 TYR QE . . 4.510 3.388 2.911 4.301 . 0 0 "[ . 1 . 2]" 1
1275 1 55 THR MG 1 56 TYR H . . 4.140 3.277 2.748 3.518 . 0 0 "[ . 1 . 2]" 1
1276 1 55 THR MG 1 56 TYR QD . . 4.530 3.116 2.740 3.483 . 0 0 "[ . 1 . 2]" 1
1277 1 55 THR MG 1 56 TYR QE . . 4.010 3.313 2.958 3.880 . 0 0 "[ . 1 . 2]" 1
1278 1 55 THR MG 1 57 ILE H . . 5.500 5.354 4.860 5.505 0.005 16 0 "[ . 1 . 2]" 1
1279 1 56 TYR H 1 56 TYR HB2 . . 3.270 2.380 2.319 2.461 . 0 0 "[ . 1 . 2]" 1
1280 1 56 TYR H 1 56 TYR HB3 . . 3.690 3.592 3.558 3.637 . 0 0 "[ . 1 . 2]" 1
1281 1 56 TYR H 1 56 TYR QD . . 3.490 1.969 1.897 2.329 . 0 0 "[ . 1 . 2]" 1
1282 1 56 TYR H 1 56 TYR QE . . 4.600 4.274 4.073 4.435 . 0 0 "[ . 1 . 2]" 1
1283 1 56 TYR H 1 57 ILE H . . 3.290 2.737 2.583 3.035 . 0 0 "[ . 1 . 2]" 1
1284 1 56 TYR H 1 57 ILE MD . . 5.500 4.932 3.306 5.476 . 0 0 "[ . 1 . 2]" 1
1285 1 56 TYR HA 1 56 TYR QD . . 3.500 3.113 2.953 3.170 . 0 0 "[ . 1 . 2]" 1
1286 1 56 TYR HA 1 56 TYR QE . . 5.040 4.665 4.557 4.732 . 0 0 "[ . 1 . 2]" 1
1287 1 56 TYR HA 1 58 GLU H . . 5.410 5.170 4.688 5.406 . 0 0 "[ . 1 . 2]" 1
1288 1 56 TYR HB2 1 57 ILE H . . 4.190 2.200 2.063 2.749 . 0 0 "[ . 1 . 2]" 1
1289 1 56 TYR HB2 1 57 ILE QG . . 5.060 3.380 2.925 4.504 . 0 0 "[ . 1 . 2]" 1
1290 1 56 TYR HB3 1 57 ILE H . . 4.820 3.071 2.776 3.605 . 0 0 "[ . 1 . 2]" 1
1291 1 56 TYR QD 1 57 ILE H . . 4.410 4.023 3.844 4.163 . 0 0 "[ . 1 . 2]" 1
1292 1 56 TYR QD 1 57 ILE MD . . 5.500 4.710 3.882 5.142 . 0 0 "[ . 1 . 2]" 1
1293 1 57 ILE H 1 57 ILE HB . . 3.270 2.534 2.350 2.692 . 0 0 "[ . 1 . 2]" 1
1294 1 57 ILE H 1 57 ILE MD . . 4.500 2.834 1.814 3.426 . 0 0 "[ . 1 . 2]" 1
1295 1 57 ILE H 1 57 ILE HG12 . . 3.930 2.402 1.907 3.776 . 0 0 "[ . 1 . 2]" 1
1296 1 57 ILE H 1 57 ILE QG . . 3.350 2.322 1.899 3.370 0.020 17 0 "[ . 1 . 2]" 1
1297 1 57 ILE H 1 57 ILE HG13 . . 3.930 3.620 3.470 3.899 . 0 0 "[ . 1 . 2]" 1
1298 1 57 ILE H 1 57 ILE MG . . 4.320 3.757 3.715 3.773 . 0 0 "[ . 1 . 2]" 1
1299 1 57 ILE H 1 58 GLU H . . 3.380 2.898 2.661 3.108 . 0 0 "[ . 1 . 2]" 1
1300 1 57 ILE HA 1 57 ILE MD . . 3.680 2.108 1.935 2.464 . 0 0 "[ . 1 . 2]" 1
1301 1 57 ILE HA 1 57 ILE QG . . 3.650 2.858 2.388 3.080 . 0 0 "[ . 1 . 2]" 1
1302 1 57 ILE HA 1 57 ILE MG . . 3.420 2.385 2.254 2.522 . 0 0 "[ . 1 . 2]" 1
1303 1 57 ILE HB 1 58 GLU H . . 3.490 2.218 2.059 2.470 . 0 0 "[ . 1 . 2]" 1
1304 1 57 ILE QG 1 57 ILE MG . . 3.270 2.234 2.097 2.391 . 0 0 "[ . 1 . 2]" 1
1305 1 57 ILE QG 1 58 GLU H . . 4.860 3.901 3.737 4.219 . 0 0 "[ . 1 . 2]" 1
1306 1 57 ILE MG 1 58 GLU H . . 3.710 3.003 2.409 3.381 . 0 0 "[ . 1 . 2]" 1
1307 1 57 ILE MG 1 58 GLU HA . . 4.630 3.391 3.004 3.773 . 0 0 "[ . 1 . 2]" 1
1308 1 57 ILE MG 1 58 GLU QG . . 5.040 3.736 1.976 5.032 . 0 0 "[ . 1 . 2]" 1
1309 1 58 GLU H 1 58 GLU QB . . 3.290 2.304 2.201 2.574 . 0 0 "[ . 1 . 2]" 1
1310 1 58 GLU H 1 58 GLU QG . . 4.150 3.448 2.407 4.123 . 0 0 "[ . 1 . 2]" 1
1311 1 58 GLU HA 1 58 GLU QG . . 3.850 2.581 2.163 3.460 . 0 0 "[ . 1 . 2]" 1
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