NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
573823 |
2mle   |
19816 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mle
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 783
_Distance_constraint_stats_list.Viol_count 619
_Distance_constraint_stats_list.Viol_total 1136.314
_Distance_constraint_stats_list.Viol_max 0.411
_Distance_constraint_stats_list.Viol_rms 0.0252
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0036
_Distance_constraint_stats_list.Viol_average_violations_only 0.0918
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 1.763 0.363 13 0 "[ . 1 . 2]"
1 3 LYS 2.403 0.363 13 0 "[ . 1 . 2]"
1 4 SER 0.172 0.153 7 0 "[ . 1 . 2]"
1 5 GLU 0.526 0.149 12 0 "[ . 1 . 2]"
1 6 GLU 0.792 0.220 1 0 "[ . 1 . 2]"
1 7 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LEU 4.633 0.226 8 0 "[ . 1 . 2]"
1 9 SER 3.661 0.226 8 0 "[ . 1 . 2]"
1 10 ASP 0.740 0.175 11 0 "[ . 1 . 2]"
1 11 LEU 0.960 0.204 1 0 "[ . 1 . 2]"
1 12 PHE 1.000 0.234 13 0 "[ . 1 . 2]"
1 13 ARG 0.106 0.056 10 0 "[ . 1 . 2]"
1 14 MET 0.957 0.204 1 0 "[ . 1 . 2]"
1 15 PHE 1.175 0.202 1 0 "[ . 1 . 2]"
1 16 ASP 0.489 0.312 19 0 "[ . 1 . 2]"
1 17 LYS 3.926 0.382 5 0 "[ . 1 . 2]"
1 18 ASN 1.808 0.382 5 0 "[ . 1 . 2]"
1 19 ALA 0.361 0.361 14 0 "[ . 1 . 2]"
1 20 ASP 0.340 0.134 14 0 "[ . 1 . 2]"
1 21 GLY 0.494 0.361 14 0 "[ . 1 . 2]"
1 22 TYR 0.759 0.132 7 0 "[ . 1 . 2]"
1 23 ILE 0.505 0.091 6 0 "[ . 1 . 2]"
1 24 ASP 0.986 0.407 6 0 "[ . 1 . 2]"
1 25 LEU 1.387 0.407 6 0 "[ . 1 . 2]"
1 26 ASP 0.710 0.229 6 0 "[ . 1 . 2]"
1 27 GLU 1.409 0.160 18 0 "[ . 1 . 2]"
1 28 LEU 0.071 0.036 13 0 "[ . 1 . 2]"
1 29 LYS 1.537 0.229 6 0 "[ . 1 . 2]"
1 30 ILE 2.325 0.212 18 0 "[ . 1 . 2]"
1 31 MET 2.814 0.229 3 0 "[ . 1 . 2]"
1 32 LEU 3.147 0.173 17 0 "[ . 1 . 2]"
1 33 GLN 0.457 0.094 14 0 "[ . 1 . 2]"
1 34 ALA 6.020 0.379 15 0 "[ . 1 . 2]"
1 35 THR 9.160 0.411 12 0 "[ . 1 . 2]"
1 36 GLY 0.526 0.411 12 0 "[ . 1 . 2]"
1 37 GLU 0.374 0.108 6 0 "[ . 1 . 2]"
1 38 THR 0.559 0.170 10 0 "[ . 1 . 2]"
1 39 ILE 2.925 0.247 17 0 "[ . 1 . 2]"
1 40 THR 1.066 0.220 16 0 "[ . 1 . 2]"
1 41 GLU 0.564 0.185 6 0 "[ . 1 . 2]"
1 42 ASP 0.513 0.116 20 0 "[ . 1 . 2]"
1 43 ASP 1.303 0.279 11 0 "[ . 1 . 2]"
1 44 ILE 1.872 0.279 11 0 "[ . 1 . 2]"
1 45 GLU 0.696 0.259 16 0 "[ . 1 . 2]"
1 46 GLU 3.396 0.405 9 0 "[ . 1 . 2]"
1 47 LEU 3.990 0.405 9 0 "[ . 1 . 2]"
1 48 MET 4.283 0.260 16 0 "[ . 1 . 2]"
1 49 LYS 4.542 0.259 16 0 "[ . 1 . 2]"
1 50 ASP 1.065 0.152 14 0 "[ . 1 . 2]"
1 51 GLY 0.333 0.132 11 0 "[ . 1 . 2]"
1 52 ASP 1.236 0.303 14 0 "[ . 1 . 2]"
1 53 LYS 1.885 0.303 14 0 "[ . 1 . 2]"
1 54 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 GLY 0.061 0.061 15 0 "[ . 1 . 2]"
1 58 ARG 1.982 0.242 4 0 "[ . 1 . 2]"
1 59 ILE 3.548 0.248 9 0 "[ . 1 . 2]"
1 60 ASP 2.082 0.248 9 0 "[ . 1 . 2]"
1 61 TYR 0.649 0.333 13 0 "[ . 1 . 2]"
1 62 ASP 0.345 0.333 13 0 "[ . 1 . 2]"
1 63 GLU 0.865 0.147 4 0 "[ . 1 . 2]"
1 64 PHE 0.959 0.125 15 0 "[ . 1 . 2]"
1 65 LEU 2.319 0.312 4 0 "[ . 1 . 2]"
1 66 GLU 2.534 0.312 4 0 "[ . 1 . 2]"
1 67 PHE 1.477 0.164 8 0 "[ . 1 . 2]"
1 68 MET 1.752 0.230 3 0 "[ . 1 . 2]"
1 69 LYS 1.672 0.398 6 0 "[ . 1 . 2]"
1 70 GLY 0.001 0.001 5 0 "[ . 1 . 2]"
1 71 VAL 0.251 0.077 19 0 "[ . 1 . 2]"
1 72 GLU 1.086 0.221 7 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET ME 1 3 LYS QB 3.310 . 3.310 3.117 1.961 3.499 0.189 15 0 "[ . 1 . 2]" 1
2 1 1 MET ME 1 3 LYS QD 3.620 . 3.620 3.182 1.951 3.983 0.363 13 0 "[ . 1 . 2]" 1
3 1 3 LYS HA 1 4 SER H 4.420 . 4.420 2.766 2.195 3.660 . 0 0 "[ . 1 . 2]" 1
4 1 3 LYS QB 1 6 GLU QB 4.680 . 4.680 3.137 1.921 4.762 0.082 1 0 "[ . 1 . 2]" 1
5 1 3 LYS QD 1 6 GLU QB 4.710 . 4.710 4.120 3.013 4.930 0.220 1 0 "[ . 1 . 2]" 1
6 1 4 SER H 1 6 GLU H 4.860 . 4.860 3.744 2.410 5.013 0.153 7 0 "[ . 1 . 2]" 1
7 1 4 SER QB 1 5 GLU H 4.440 . 4.440 2.368 1.781 3.017 0.019 1 0 "[ . 1 . 2]" 1
8 1 5 GLU H 1 6 GLU H 4.310 . 4.310 2.700 2.500 2.969 . 0 0 "[ . 1 . 2]" 1
9 1 5 GLU H 1 7 GLU H 5.380 . 5.380 4.316 4.033 5.142 . 0 0 "[ . 1 . 2]" 1
10 1 5 GLU HA 1 8 LEU H 5.180 . 5.180 3.511 3.158 3.825 . 0 0 "[ . 1 . 2]" 1
11 1 5 GLU HA 1 8 LEU QD 3.860 . 3.860 2.812 1.794 3.884 0.024 3 0 "[ . 1 . 2]" 1
12 1 5 GLU HA 1 65 LEU QD 4.830 . 4.830 3.729 2.594 4.444 . 0 0 "[ . 1 . 2]" 1
13 1 5 GLU QB 1 65 LEU MD1 5.940 . 5.940 4.733 2.671 5.768 . 0 0 "[ . 1 . 2]" 1
14 1 5 GLU QB 1 65 LEU QD 5.210 . 5.210 4.256 2.594 5.139 . 0 0 "[ . 1 . 2]" 1
15 1 5 GLU QB 1 65 LEU MD2 5.940 . 5.940 4.970 3.517 5.856 . 0 0 "[ . 1 . 2]" 1
16 1 5 GLU QG 1 8 LEU QD 4.960 . 4.960 3.795 2.738 5.109 0.149 12 0 "[ . 1 . 2]" 1
17 1 5 GLU QG 1 65 LEU MD1 5.160 . 5.160 4.196 3.121 5.183 0.023 20 0 "[ . 1 . 2]" 1
18 1 5 GLU QG 1 65 LEU QD 4.300 . 4.300 3.728 2.778 4.449 0.149 18 0 "[ . 1 . 2]" 1
19 1 5 GLU QG 1 65 LEU MD2 5.160 . 5.160 4.302 3.115 5.126 . 0 0 "[ . 1 . 2]" 1
20 1 6 GLU H 1 7 GLU H 4.030 . 4.030 2.737 2.544 3.135 . 0 0 "[ . 1 . 2]" 1
21 1 6 GLU HA 1 7 GLU H 4.550 . 4.550 3.598 3.560 3.656 . 0 0 "[ . 1 . 2]" 1
22 1 6 GLU QB 1 7 GLU H 3.870 . 3.870 2.533 2.153 3.024 . 0 0 "[ . 1 . 2]" 1
23 1 7 GLU H 1 7 GLU QG 5.060 . 5.060 2.295 1.936 4.038 . 0 0 "[ . 1 . 2]" 1
24 1 7 GLU H 1 8 LEU H 4.180 . 4.180 2.683 2.482 2.882 . 0 0 "[ . 1 . 2]" 1
25 1 7 GLU H 1 9 SER H 5.140 . 5.140 4.244 3.935 4.639 . 0 0 "[ . 1 . 2]" 1
26 1 7 GLU QG 1 8 LEU H 5.580 . 5.580 3.942 2.009 4.675 . 0 0 "[ . 1 . 2]" 1
27 1 8 LEU H 1 8 LEU HB3 3.630 . 3.630 2.388 2.017 2.868 . 0 0 "[ . 1 . 2]" 1
28 1 8 LEU H 1 8 LEU MD1 5.240 . 5.240 4.067 3.490 4.363 . 0 0 "[ . 1 . 2]" 1
29 1 8 LEU H 1 8 LEU QD 4.310 . 4.310 3.473 2.440 3.733 . 0 0 "[ . 1 . 2]" 1
30 1 8 LEU H 1 8 LEU MD2 5.240 . 5.240 3.848 2.470 4.268 . 0 0 "[ . 1 . 2]" 1
31 1 8 LEU H 1 8 LEU HG 4.480 . 4.480 3.853 1.895 4.428 . 0 0 "[ . 1 . 2]" 1
32 1 8 LEU H 1 10 ASP H 5.560 . 5.560 4.289 4.070 4.680 . 0 0 "[ . 1 . 2]" 1
33 1 8 LEU H 1 65 LEU QD 5.660 . 5.660 4.912 3.654 5.559 . 0 0 "[ . 1 . 2]" 1
34 1 8 LEU HA 1 11 LEU H 4.670 . 4.670 3.572 3.277 3.920 . 0 0 "[ . 1 . 2]" 1
35 1 8 LEU HA 1 65 LEU QD 5.770 . 5.770 4.680 3.188 5.570 . 0 0 "[ . 1 . 2]" 1
36 1 8 LEU HB2 1 9 SER H 5.230 . 5.230 3.871 3.675 4.200 . 0 0 "[ . 1 . 2]" 1
37 1 8 LEU HB3 1 9 SER H 4.950 . 4.950 2.846 2.299 4.136 . 0 0 "[ . 1 . 2]" 1
38 1 8 LEU HB3 1 65 LEU QB 5.970 . 5.970 5.545 4.500 6.148 0.178 17 0 "[ . 1 . 2]" 1
39 1 8 LEU HB3 1 65 LEU QD 4.060 . 4.060 3.611 2.846 4.100 0.040 7 0 "[ . 1 . 2]" 1
40 1 8 LEU QD 1 9 SER H 4.880 . 4.880 3.266 2.135 3.690 . 0 0 "[ . 1 . 2]" 1
41 1 8 LEU QD 1 9 SER HA 3.740 . 3.740 3.507 2.588 3.962 0.222 11 0 "[ . 1 . 2]" 1
42 1 8 LEU QD 1 9 SER QB 4.720 . 4.720 4.290 3.387 4.798 0.078 15 0 "[ . 1 . 2]" 1
43 1 8 LEU QD 1 65 LEU HA 4.290 . 4.290 2.506 1.718 3.823 0.082 12 0 "[ . 1 . 2]" 1
44 1 8 LEU QD 1 65 LEU QB 4.370 . 4.370 2.449 1.747 3.804 0.053 3 0 "[ . 1 . 2]" 1
45 1 8 LEU MD1 1 9 SER H 5.670 . 5.670 3.898 2.251 4.645 . 0 0 "[ . 1 . 2]" 1
46 1 8 LEU MD1 1 9 SER QB 5.400 . 5.400 5.074 3.466 5.626 0.226 8 0 "[ . 1 . 2]" 1
47 1 8 LEU MD1 1 65 LEU HA 5.250 . 5.250 2.709 1.726 4.244 0.074 12 0 "[ . 1 . 2]" 1
48 1 8 LEU MD2 1 9 SER H 5.670 . 5.670 3.747 2.140 4.221 . 0 0 "[ . 1 . 2]" 1
49 1 8 LEU MD2 1 9 SER QB 5.400 . 5.400 4.917 3.420 5.450 0.050 6 0 "[ . 1 . 2]" 1
50 1 8 LEU MD2 1 65 LEU HA 5.250 . 5.250 3.402 2.131 4.342 . 0 0 "[ . 1 . 2]" 1
51 1 8 LEU HG 1 9 SER H 5.300 . 5.300 3.002 1.977 3.943 . 0 0 "[ . 1 . 2]" 1
52 1 8 LEU HG 1 9 SER HA 5.420 . 5.420 3.512 3.026 4.687 . 0 0 "[ . 1 . 2]" 1
53 1 8 LEU HG 1 9 SER QB 5.000 . 5.000 4.584 4.007 5.087 0.087 12 0 "[ . 1 . 2]" 1
54 1 9 SER H 1 9 SER QB 3.700 . 3.700 2.512 2.034 2.690 . 0 0 "[ . 1 . 2]" 1
55 1 9 SER H 1 10 ASP H 4.050 . 4.050 2.801 2.704 3.023 . 0 0 "[ . 1 . 2]" 1
56 1 9 SER H 1 11 LEU H 5.580 . 5.580 4.309 4.178 4.594 . 0 0 "[ . 1 . 2]" 1
57 1 9 SER H 1 12 PHE HB2 6.000 . 6.000 5.078 4.689 5.381 . 0 0 "[ . 1 . 2]" 1
58 1 9 SER HA 1 13 ARG H 5.760 . 5.760 4.166 3.709 4.600 . 0 0 "[ . 1 . 2]" 1
59 1 9 SER QB 1 10 ASP H 4.500 . 4.500 2.526 2.342 3.465 . 0 0 "[ . 1 . 2]" 1
60 1 9 SER QB 1 12 PHE HB2 6.000 . 6.000 5.031 4.669 5.508 . 0 0 "[ . 1 . 2]" 1
61 1 9 SER QB 1 12 PHE HB3 5.750 . 5.750 4.350 3.819 5.008 . 0 0 "[ . 1 . 2]" 1
62 1 10 ASP H 1 10 ASP QB 3.820 . 3.820 2.154 1.998 2.396 . 0 0 "[ . 1 . 2]" 1
63 1 10 ASP H 1 11 LEU H 3.890 . 3.890 2.703 2.599 2.860 . 0 0 "[ . 1 . 2]" 1
64 1 10 ASP H 1 11 LEU QD 5.520 . 5.520 4.652 3.523 5.564 0.044 14 0 "[ . 1 . 2]" 1
65 1 10 ASP H 1 12 PHE HB3 6.000 . 6.000 5.167 4.855 5.530 . 0 0 "[ . 1 . 2]" 1
66 1 10 ASP HA 1 11 LEU QD 5.770 . 5.770 5.213 4.452 5.822 0.052 10 0 "[ . 1 . 2]" 1
67 1 10 ASP HA 1 13 ARG H 4.700 . 4.700 3.581 3.201 3.952 . 0 0 "[ . 1 . 2]" 1
68 1 10 ASP HA 1 13 ARG QB 4.930 . 4.930 2.984 2.227 4.171 . 0 0 "[ . 1 . 2]" 1
69 1 10 ASP HA 1 13 ARG QD 4.330 . 4.330 3.089 1.868 4.334 0.004 9 0 "[ . 1 . 2]" 1
70 1 10 ASP HA 1 13 ARG QG 5.020 . 5.020 3.630 2.143 4.773 . 0 0 "[ . 1 . 2]" 1
71 1 10 ASP HA 1 14 MET H 5.790 . 5.790 4.469 3.906 5.051 . 0 0 "[ . 1 . 2]" 1
72 1 10 ASP QB 1 11 LEU H 4.050 . 4.050 2.430 2.254 2.555 . 0 0 "[ . 1 . 2]" 1
73 1 10 ASP QB 1 11 LEU QD 4.240 . 4.240 3.506 2.285 4.415 0.175 11 0 "[ . 1 . 2]" 1
74 1 11 LEU H 1 11 LEU MD1 4.780 . 4.780 3.279 1.995 3.882 . 0 0 "[ . 1 . 2]" 1
75 1 11 LEU H 1 11 LEU QD 3.870 . 3.870 2.918 1.990 3.578 . 0 0 "[ . 1 . 2]" 1
76 1 11 LEU H 1 11 LEU MD2 4.780 . 4.780 3.712 3.099 4.258 . 0 0 "[ . 1 . 2]" 1
77 1 11 LEU H 1 11 LEU HG 5.030 . 5.030 3.182 2.050 4.485 . 0 0 "[ . 1 . 2]" 1
78 1 11 LEU H 1 12 PHE H 4.060 . 4.060 2.716 2.648 2.816 . 0 0 "[ . 1 . 2]" 1
79 1 11 LEU H 1 13 ARG H 5.190 . 5.190 4.292 4.023 4.527 . 0 0 "[ . 1 . 2]" 1
80 1 11 LEU H 1 14 MET H 6.000 . 6.000 4.969 4.589 5.377 . 0 0 "[ . 1 . 2]" 1
81 1 11 LEU H 1 14 MET QG 5.290 . 5.290 4.513 3.933 5.494 0.204 1 0 "[ . 1 . 2]" 1
82 1 11 LEU HA 1 11 LEU QD 3.700 . 3.700 2.402 1.968 3.335 . 0 0 "[ . 1 . 2]" 1
83 1 11 LEU HA 1 13 ARG H 5.240 . 5.240 4.518 4.216 4.744 . 0 0 "[ . 1 . 2]" 1
84 1 11 LEU HA 1 14 MET H 4.640 . 4.640 3.510 3.112 3.879 . 0 0 "[ . 1 . 2]" 1
85 1 11 LEU HA 1 14 MET HB3 5.390 . 5.390 3.897 2.313 4.651 . 0 0 "[ . 1 . 2]" 1
86 1 11 LEU HA 1 14 MET QG 4.930 . 4.930 2.170 1.800 3.102 0.000 6 0 "[ . 1 . 2]" 1
87 1 11 LEU QB 1 12 PHE H 4.330 . 4.330 2.613 2.360 3.584 . 0 0 "[ . 1 . 2]" 1
88 1 11 LEU QB 1 13 ARG H 5.850 . 5.850 4.809 4.596 5.351 . 0 0 "[ . 1 . 2]" 1
89 1 11 LEU QD 1 12 PHE H 5.410 . 5.410 3.824 2.667 4.137 . 0 0 "[ . 1 . 2]" 1
90 1 11 LEU QD 1 14 MET H 6.000 . 6.000 4.892 4.505 5.478 . 0 0 "[ . 1 . 2]" 1
91 1 11 LEU QD 1 14 MET QG 4.890 . 4.890 3.252 2.192 4.263 . 0 0 "[ . 1 . 2]" 1
92 1 12 PHE H 1 12 PHE HB2 3.940 . 3.940 2.344 2.096 2.472 . 0 0 "[ . 1 . 2]" 1
93 1 12 PHE H 1 12 PHE HB3 4.350 . 4.350 2.605 2.468 2.900 . 0 0 "[ . 1 . 2]" 1
94 1 12 PHE H 1 12 PHE QD 5.340 . 5.340 4.116 3.906 4.182 . 0 0 "[ . 1 . 2]" 1
95 1 12 PHE H 1 13 ARG H 4.260 . 4.260 2.772 2.645 2.874 . 0 0 "[ . 1 . 2]" 1
96 1 12 PHE HA 1 12 PHE QD 4.360 . 4.360 2.771 2.424 3.008 . 0 0 "[ . 1 . 2]" 1
97 1 12 PHE HA 1 15 PHE QD 4.680 . 4.680 3.444 2.047 4.783 0.103 3 0 "[ . 1 . 2]" 1
98 1 12 PHE HA 1 16 ASP H 5.440 . 5.440 4.317 3.503 4.934 . 0 0 "[ . 1 . 2]" 1
99 1 12 PHE HA 1 23 ILE MD 4.500 . 4.500 2.957 1.883 3.756 . 0 0 "[ . 1 . 2]" 1
100 1 12 PHE HB2 1 13 ARG H 5.060 . 5.060 3.705 3.523 3.805 . 0 0 "[ . 1 . 2]" 1
101 1 12 PHE HB2 1 61 TYR QE 5.260 . 5.260 3.666 2.560 5.494 0.234 13 0 "[ . 1 . 2]" 1
102 1 12 PHE HB3 1 13 ARG H 4.110 . 4.110 2.416 2.267 2.529 . 0 0 "[ . 1 . 2]" 1
103 1 12 PHE HB3 1 61 TYR QE 5.500 . 5.500 3.574 2.515 4.902 . 0 0 "[ . 1 . 2]" 1
104 1 12 PHE QD 1 13 ARG H 5.480 . 5.480 3.529 3.220 4.024 . 0 0 "[ . 1 . 2]" 1
105 1 12 PHE QD 1 13 ARG HA 5.280 . 5.280 3.421 2.930 3.998 . 0 0 "[ . 1 . 2]" 1
106 1 12 PHE QD 1 13 ARG QG 5.620 . 5.620 4.098 2.896 5.506 . 0 0 "[ . 1 . 2]" 1
107 1 12 PHE QD 1 15 PHE HB3 6.000 . 6.000 5.112 4.095 5.893 . 0 0 "[ . 1 . 2]" 1
108 1 12 PHE QD 1 16 ASP QB 5.740 . 5.740 3.852 2.228 4.837 . 0 0 "[ . 1 . 2]" 1
109 1 12 PHE QD 1 23 ILE MD 4.460 . 4.460 3.032 2.201 3.572 . 0 0 "[ . 1 . 2]" 1
110 1 12 PHE QD 1 59 ILE MG 5.940 . 5.940 4.777 4.282 5.503 . 0 0 "[ . 1 . 2]" 1
111 1 12 PHE QD 1 64 PHE H 5.890 . 5.890 4.767 4.252 5.294 . 0 0 "[ . 1 . 2]" 1
112 1 12 PHE QD 1 64 PHE HB2 4.500 . 4.500 2.879 2.274 3.400 . 0 0 "[ . 1 . 2]" 1
113 1 12 PHE QD 1 64 PHE HB3 5.020 . 5.020 2.719 1.959 3.183 . 0 0 "[ . 1 . 2]" 1
114 1 12 PHE QD 1 64 PHE QD 4.100 . 4.100 2.815 2.033 3.587 . 0 0 "[ . 1 . 2]" 1
115 1 12 PHE QD 1 65 LEU H 6.000 . 6.000 5.066 4.347 5.429 . 0 0 "[ . 1 . 2]" 1
116 1 12 PHE QE 1 15 PHE HB3 6.000 . 6.000 5.585 4.885 6.121 0.121 17 0 "[ . 1 . 2]" 1
117 1 12 PHE QE 1 21 GLY HA2 5.360 . 5.360 3.039 2.374 4.007 . 0 0 "[ . 1 . 2]" 1
118 1 12 PHE QE 1 21 GLY QA 4.530 . 4.530 2.956 2.348 3.791 . 0 0 "[ . 1 . 2]" 1
119 1 12 PHE QE 1 21 GLY HA3 5.360 . 5.360 4.132 3.699 4.682 . 0 0 "[ . 1 . 2]" 1
120 1 12 PHE QE 1 22 TYR HA 5.070 . 5.070 3.399 2.688 4.024 . 0 0 "[ . 1 . 2]" 1
121 1 12 PHE QE 1 22 TYR HB3 6.000 . 6.000 5.311 4.712 5.907 . 0 0 "[ . 1 . 2]" 1
122 1 12 PHE QE 1 23 ILE H 5.180 . 5.180 3.558 3.201 3.954 . 0 0 "[ . 1 . 2]" 1
123 1 12 PHE QE 1 23 ILE MD 4.180 . 4.180 2.917 2.203 3.353 . 0 0 "[ . 1 . 2]" 1
124 1 12 PHE QE 1 59 ILE MG 4.560 . 4.560 3.507 2.887 4.091 . 0 0 "[ . 1 . 2]" 1
125 1 12 PHE QE 1 60 ASP HA 5.280 . 5.280 3.598 2.674 4.091 . 0 0 "[ . 1 . 2]" 1
126 1 12 PHE QE 1 60 ASP HB2 6.000 . 6.000 5.535 4.482 6.022 0.022 18 0 "[ . 1 . 2]" 1
127 1 12 PHE QE 1 60 ASP QB 5.640 . 5.640 4.830 4.158 5.220 . 0 0 "[ . 1 . 2]" 1
128 1 12 PHE QE 1 60 ASP HB3 6.000 . 6.000 5.344 4.911 5.761 . 0 0 "[ . 1 . 2]" 1
129 1 12 PHE QE 1 61 TYR HA 4.340 . 4.340 2.602 2.106 3.035 . 0 0 "[ . 1 . 2]" 1
130 1 12 PHE QE 1 61 TYR HB2 5.370 . 5.370 3.729 3.027 5.220 . 0 0 "[ . 1 . 2]" 1
131 1 12 PHE QE 1 61 TYR HB3 5.650 . 5.650 4.757 4.204 5.189 . 0 0 "[ . 1 . 2]" 1
132 1 12 PHE QE 1 64 PHE H 5.020 . 5.020 3.740 3.386 3.985 . 0 0 "[ . 1 . 2]" 1
133 1 12 PHE QE 1 64 PHE HB2 4.210 . 4.210 2.185 1.968 2.608 . 0 0 "[ . 1 . 2]" 1
134 1 12 PHE QE 1 64 PHE HB3 4.110 . 4.110 3.102 2.702 3.695 . 0 0 "[ . 1 . 2]" 1
135 1 12 PHE HZ 1 21 GLY QA 5.730 . 5.730 4.373 3.879 5.319 . 0 0 "[ . 1 . 2]" 1
136 1 12 PHE HZ 1 22 TYR H 5.810 . 5.810 4.543 4.091 5.285 . 0 0 "[ . 1 . 2]" 1
137 1 12 PHE HZ 1 22 TYR HA 4.660 . 4.660 2.193 1.790 2.882 0.010 16 0 "[ . 1 . 2]" 1
138 1 12 PHE HZ 1 22 TYR HB3 5.900 . 5.900 4.464 3.802 5.277 . 0 0 "[ . 1 . 2]" 1
139 1 12 PHE HZ 1 22 TYR QD 5.690 . 5.690 4.056 2.930 4.931 . 0 0 "[ . 1 . 2]" 1
140 1 12 PHE HZ 1 23 ILE H 5.220 . 5.220 3.095 2.211 3.955 . 0 0 "[ . 1 . 2]" 1
141 1 12 PHE HZ 1 23 ILE MD 6.000 . 6.000 3.597 2.843 4.367 . 0 0 "[ . 1 . 2]" 1
142 1 12 PHE HZ 1 23 ILE QG 5.560 . 5.560 3.101 2.635 4.965 . 0 0 "[ . 1 . 2]" 1
143 1 12 PHE HZ 1 59 ILE MG 6.000 . 6.000 5.003 4.556 5.477 . 0 0 "[ . 1 . 2]" 1
144 1 12 PHE HZ 1 60 ASP HA 4.850 . 4.850 2.864 2.053 3.249 . 0 0 "[ . 1 . 2]" 1
145 1 12 PHE HZ 1 60 ASP HB2 5.770 . 5.770 5.312 4.326 5.834 0.064 20 0 "[ . 1 . 2]" 1
146 1 12 PHE HZ 1 60 ASP QB 5.090 . 5.090 4.726 3.984 5.109 0.019 18 0 "[ . 1 . 2]" 1
147 1 12 PHE HZ 1 60 ASP HB3 5.770 . 5.770 5.359 4.378 5.820 0.050 5 0 "[ . 1 . 2]" 1
148 1 12 PHE HZ 1 61 TYR H 5.100 . 5.100 3.185 2.680 3.987 . 0 0 "[ . 1 . 2]" 1
149 1 12 PHE HZ 1 61 TYR HA 5.080 . 5.080 3.709 3.243 4.742 . 0 0 "[ . 1 . 2]" 1
150 1 12 PHE HZ 1 61 TYR HB3 6.000 . 6.000 5.150 4.620 6.067 0.067 16 0 "[ . 1 . 2]" 1
151 1 12 PHE HZ 1 64 PHE HB3 6.000 . 6.000 5.326 4.839 5.974 . 0 0 "[ . 1 . 2]" 1
152 1 13 ARG H 1 13 ARG QB 3.790 . 3.790 2.321 2.125 2.812 . 0 0 "[ . 1 . 2]" 1
153 1 13 ARG H 1 13 ARG QG 4.720 . 4.720 2.703 1.902 3.981 . 0 0 "[ . 1 . 2]" 1
154 1 13 ARG HA 1 15 PHE H 5.600 . 5.600 4.405 4.240 4.569 . 0 0 "[ . 1 . 2]" 1
155 1 13 ARG HA 1 16 ASP H 4.590 . 4.590 3.645 3.386 4.064 . 0 0 "[ . 1 . 2]" 1
156 1 13 ARG HA 1 16 ASP QB 4.940 . 4.940 3.165 2.566 3.795 . 0 0 "[ . 1 . 2]" 1
157 1 13 ARG QB 1 14 MET H 4.180 . 4.180 2.639 2.209 3.551 . 0 0 "[ . 1 . 2]" 1
158 1 13 ARG QB 1 14 MET QG 5.020 . 5.020 4.305 3.522 5.076 0.056 10 0 "[ . 1 . 2]" 1
159 1 13 ARG QB 1 15 PHE H 5.630 . 5.630 4.691 4.408 5.227 . 0 0 "[ . 1 . 2]" 1
160 1 13 ARG QB 1 16 ASP QB 6.000 . 6.000 4.788 4.136 5.391 . 0 0 "[ . 1 . 2]" 1
161 1 13 ARG QG 1 16 ASP H 6.000 . 6.000 5.284 4.890 5.655 . 0 0 "[ . 1 . 2]" 1
162 1 14 MET H 1 14 MET HB3 4.030 . 4.030 2.661 2.051 3.026 . 0 0 "[ . 1 . 2]" 1
163 1 14 MET H 1 14 MET QG 4.300 . 4.300 2.321 1.800 3.782 . 0 0 "[ . 1 . 2]" 1
164 1 14 MET H 1 15 PHE H 3.820 . 3.820 2.644 2.512 2.753 . 0 0 "[ . 1 . 2]" 1
165 1 14 MET H 1 16 ASP H 5.100 . 5.100 4.323 4.053 4.593 . 0 0 "[ . 1 . 2]" 1
166 1 14 MET HB2 1 15 PHE H 5.020 . 5.020 3.878 3.467 4.245 . 0 0 "[ . 1 . 2]" 1
167 1 14 MET ME 1 15 PHE HA 4.980 . 4.980 3.518 2.407 4.493 . 0 0 "[ . 1 . 2]" 1
168 1 14 MET ME 1 15 PHE HB2 5.160 . 5.160 4.421 3.077 5.230 0.070 18 0 "[ . 1 . 2]" 1
169 1 14 MET ME 1 15 PHE QD 5.530 . 5.530 3.130 2.690 3.812 . 0 0 "[ . 1 . 2]" 1
170 1 14 MET ME 1 15 PHE QE 4.390 . 4.390 3.310 2.436 4.477 0.087 15 0 "[ . 1 . 2]" 1
171 1 14 MET QG 1 15 PHE H 4.650 . 4.650 2.274 1.948 4.185 . 0 0 "[ . 1 . 2]" 1
172 1 14 MET QG 1 15 PHE HA 4.790 . 4.790 3.654 2.987 4.992 0.202 1 0 "[ . 1 . 2]" 1
173 1 14 MET QG 1 15 PHE QD 4.870 . 4.870 2.960 1.937 4.864 . 0 0 "[ . 1 . 2]" 1
174 1 14 MET QG 1 16 ASP H 5.860 . 5.860 4.676 4.407 6.037 0.177 1 0 "[ . 1 . 2]" 1
175 1 15 PHE H 1 15 PHE HB2 3.950 . 3.950 2.155 2.003 2.306 . 0 0 "[ . 1 . 2]" 1
176 1 15 PHE H 1 23 ILE MD 5.350 . 5.350 4.183 3.426 5.101 . 0 0 "[ . 1 . 2]" 1
177 1 15 PHE HB2 1 16 ASP H 4.380 . 4.380 3.017 2.636 3.621 . 0 0 "[ . 1 . 2]" 1
178 1 15 PHE HB2 1 23 ILE MD 4.190 . 4.190 2.714 1.973 3.824 . 0 0 "[ . 1 . 2]" 1
179 1 15 PHE HB3 1 16 ASP H 4.780 . 4.780 3.165 2.441 3.548 . 0 0 "[ . 1 . 2]" 1
180 1 15 PHE HB3 1 23 ILE MD 4.150 . 4.150 2.292 1.756 3.219 0.044 19 0 "[ . 1 . 2]" 1
181 1 15 PHE QD 1 23 ILE MD 4.460 . 4.460 3.249 2.141 4.239 . 0 0 "[ . 1 . 2]" 1
182 1 15 PHE QD 1 23 ILE MG 4.680 . 4.680 2.811 2.016 4.212 . 0 0 "[ . 1 . 2]" 1
183 1 15 PHE QD 1 31 MET QB 5.250 . 5.250 4.251 2.859 5.302 0.052 17 0 "[ . 1 . 2]" 1
184 1 15 PHE QD 1 31 MET ME 6.000 . 6.000 4.474 2.998 5.944 . 0 0 "[ . 1 . 2]" 1
185 1 15 PHE QD 1 31 MET QG 4.740 . 4.740 3.725 2.698 4.761 0.021 9 0 "[ . 1 . 2]" 1
186 1 15 PHE QE 1 28 LEU QD 5.990 . 5.990 3.433 1.952 6.017 0.027 9 0 "[ . 1 . 2]" 1
187 1 15 PHE QE 1 31 MET QB 4.610 . 4.610 3.977 2.467 4.651 0.041 13 0 "[ . 1 . 2]" 1
188 1 15 PHE QE 1 31 MET ME 5.410 . 5.410 3.757 2.505 5.345 . 0 0 "[ . 1 . 2]" 1
189 1 15 PHE HZ 1 31 MET ME 5.870 . 5.870 4.405 2.696 5.768 . 0 0 "[ . 1 . 2]" 1
190 1 16 ASP H 1 17 LYS H 5.240 . 5.240 4.305 3.944 4.700 . 0 0 "[ . 1 . 2]" 1
191 1 16 ASP H 1 23 ILE MD 5.420 . 5.420 3.444 2.386 5.038 . 0 0 "[ . 1 . 2]" 1
192 1 16 ASP HA 1 17 LYS H 3.720 . 3.720 2.270 2.060 2.431 . 0 0 "[ . 1 . 2]" 1
193 1 16 ASP HA 1 17 LYS QG 5.240 . 5.240 3.969 3.123 5.552 0.312 19 0 "[ . 1 . 2]" 1
194 1 16 ASP HA 1 18 ASN H 4.850 . 4.850 3.779 3.385 4.583 . 0 0 "[ . 1 . 2]" 1
195 1 16 ASP HA 1 19 ALA H 5.090 . 5.090 4.514 4.070 4.977 . 0 0 "[ . 1 . 2]" 1
196 1 16 ASP QB 1 23 ILE MD 5.250 . 5.250 3.097 1.882 4.938 . 0 0 "[ . 1 . 2]" 1
197 1 17 LYS H 1 17 LYS QB 3.870 . 3.870 2.504 2.100 3.026 . 0 0 "[ . 1 . 2]" 1
198 1 17 LYS H 1 17 LYS QE 5.650 . 5.650 4.665 3.754 5.386 . 0 0 "[ . 1 . 2]" 1
199 1 17 LYS H 1 17 LYS HG2 4.790 . 4.790 2.857 1.872 4.874 0.084 4 0 "[ . 1 . 2]" 1
200 1 17 LYS H 1 17 LYS HG3 4.790 . 4.790 3.055 1.798 4.211 0.002 15 0 "[ . 1 . 2]" 1
201 1 17 LYS H 1 18 ASN H 4.200 . 4.200 2.584 2.034 2.954 . 0 0 "[ . 1 . 2]" 1
202 1 17 LYS H 1 19 ALA H 4.900 . 4.900 4.091 2.989 4.555 . 0 0 "[ . 1 . 2]" 1
203 1 17 LYS H 1 27 GLU QB 4.380 . 4.380 2.940 1.999 3.994 . 0 0 "[ . 1 . 2]" 1
204 1 17 LYS H 1 27 GLU QG 4.860 . 4.860 2.710 2.038 3.325 . 0 0 "[ . 1 . 2]" 1
205 1 17 LYS QB 1 17 LYS QD 3.500 . 3.500 2.146 1.963 2.373 . 0 0 "[ . 1 . 2]" 1
206 1 17 LYS QB 1 17 LYS QE 4.500 . 4.500 3.516 2.321 3.823 . 0 0 "[ . 1 . 2]" 1
207 1 17 LYS QB 1 18 ASN H 4.580 . 4.580 3.186 2.269 3.800 . 0 0 "[ . 1 . 2]" 1
208 1 17 LYS QB 1 19 ALA H 6.000 . 6.000 4.769 4.403 5.224 . 0 0 "[ . 1 . 2]" 1
209 1 17 LYS QB 1 27 GLU QG 5.320 . 5.320 2.965 1.721 3.977 0.079 19 0 "[ . 1 . 2]" 1
210 1 17 LYS QB 1 30 ILE MD 5.760 . 5.760 3.787 2.379 5.019 . 0 0 "[ . 1 . 2]" 1
211 1 17 LYS QD 1 30 ILE MG 4.670 . 4.670 3.004 1.932 4.089 . 0 0 "[ . 1 . 2]" 1
212 1 17 LYS QE 1 30 ILE HA 6.000 . 6.000 5.273 4.556 6.071 0.071 1 0 "[ . 1 . 2]" 1
213 1 17 LYS QE 1 30 ILE HB 4.790 . 4.790 3.149 1.921 3.867 . 0 0 "[ . 1 . 2]" 1
214 1 17 LYS QE 1 30 ILE MD 5.030 . 5.030 2.581 1.710 5.062 0.090 2 0 "[ . 1 . 2]" 1
215 1 17 LYS QE 1 30 ILE QG 5.450 . 5.450 3.458 1.748 5.282 0.052 3 0 "[ . 1 . 2]" 1
216 1 17 LYS QE 1 30 ILE MG 3.890 . 3.890 3.097 2.126 4.102 0.212 18 0 "[ . 1 . 2]" 1
217 1 17 LYS QE 1 31 MET H 6.000 . 6.000 4.743 2.606 6.073 0.073 6 0 "[ . 1 . 2]" 1
218 1 17 LYS QG 1 18 ASN H 5.180 . 5.180 2.970 1.926 4.461 . 0 0 "[ . 1 . 2]" 1
219 1 17 LYS QG 1 18 ASN HA 5.250 . 5.250 4.413 3.219 5.632 0.382 5 0 "[ . 1 . 2]" 1
220 1 17 LYS QG 1 27 GLU QB 4.770 . 4.770 3.140 2.040 4.661 . 0 0 "[ . 1 . 2]" 1
221 1 17 LYS QG 1 27 GLU QG 5.130 . 5.130 2.277 1.640 4.240 0.160 18 0 "[ . 1 . 2]" 1
222 1 18 ASN H 1 19 ALA H 3.620 . 3.620 2.672 2.400 2.831 . 0 0 "[ . 1 . 2]" 1
223 1 18 ASN H 1 19 ALA MB 5.860 . 5.860 4.837 4.650 4.976 . 0 0 "[ . 1 . 2]" 1
224 1 18 ASN H 1 27 GLU QB 5.560 . 5.560 4.520 3.756 5.616 0.056 15 0 "[ . 1 . 2]" 1
225 1 18 ASN H 1 27 GLU QG 4.400 . 4.400 3.071 2.465 3.782 . 0 0 "[ . 1 . 2]" 1
226 1 18 ASN HA 1 19 ALA H 4.470 . 4.470 3.357 3.046 3.566 . 0 0 "[ . 1 . 2]" 1
227 1 18 ASN HA 1 19 ALA MB 5.300 . 5.300 3.913 3.697 4.002 . 0 0 "[ . 1 . 2]" 1
228 1 18 ASN QB 1 19 ALA H 4.380 . 4.380 3.498 2.868 4.083 . 0 0 "[ . 1 . 2]" 1
229 1 18 ASN QB 1 20 ASP H 5.180 . 5.180 2.957 2.343 4.296 . 0 0 "[ . 1 . 2]" 1
230 1 18 ASN QB 1 20 ASP QB 5.720 . 5.720 2.936 2.439 4.166 . 0 0 "[ . 1 . 2]" 1
231 1 19 ALA H 1 20 ASP H 4.000 . 4.000 2.770 2.303 3.379 . 0 0 "[ . 1 . 2]" 1
232 1 19 ALA H 1 21 GLY H 5.180 . 5.180 4.330 3.593 5.541 0.361 14 0 "[ . 1 . 2]" 1
233 1 19 ALA HA 1 20 ASP H 4.220 . 4.220 3.087 2.903 3.317 . 0 0 "[ . 1 . 2]" 1
234 1 19 ALA MB 1 20 ASP H 4.670 . 4.670 3.562 3.363 3.724 . 0 0 "[ . 1 . 2]" 1
235 1 19 ALA MB 1 20 ASP HA 5.700 . 5.700 4.212 4.148 4.286 . 0 0 "[ . 1 . 2]" 1
236 1 19 ALA MB 1 21 GLY H 5.470 . 5.470 4.483 4.096 4.643 . 0 0 "[ . 1 . 2]" 1
237 1 20 ASP H 1 21 GLY H 3.740 . 3.740 2.620 2.326 3.874 0.134 14 0 "[ . 1 . 2]" 1
238 1 20 ASP H 1 22 TYR H 4.730 . 4.730 4.014 3.561 4.784 0.054 14 0 "[ . 1 . 2]" 1
239 1 20 ASP HA 1 22 TYR H 5.630 . 5.630 4.540 4.017 4.642 . 0 0 "[ . 1 . 2]" 1
240 1 20 ASP QB 1 22 TYR QD 5.880 . 5.880 3.218 2.164 4.106 . 0 0 "[ . 1 . 2]" 1
241 1 20 ASP QB 1 22 TYR QE 5.640 . 5.640 4.653 3.054 5.732 0.092 14 0 "[ . 1 . 2]" 1
242 1 21 GLY H 1 22 TYR H 3.730 . 3.730 2.594 2.304 3.437 . 0 0 "[ . 1 . 2]" 1
243 1 21 GLY QA 1 22 TYR HA 5.570 . 5.570 4.106 4.037 4.149 . 0 0 "[ . 1 . 2]" 1
244 1 21 GLY QA 1 22 TYR QD 5.940 . 5.940 3.575 2.974 4.193 . 0 0 "[ . 1 . 2]" 1
245 1 21 GLY QA 1 22 TYR QE 5.690 . 5.690 3.920 3.283 4.522 . 0 0 "[ . 1 . 2]" 1
246 1 21 GLY HA2 1 22 TYR H 4.530 . 4.530 3.427 3.353 3.507 . 0 0 "[ . 1 . 2]" 1
247 1 21 GLY HA3 1 22 TYR H 4.530 . 4.530 3.291 3.191 3.387 . 0 0 "[ . 1 . 2]" 1
248 1 22 TYR H 1 22 TYR HB2 4.100 . 4.100 2.546 2.404 2.652 . 0 0 "[ . 1 . 2]" 1
249 1 22 TYR H 1 22 TYR QD 4.740 . 4.740 2.729 2.500 3.391 . 0 0 "[ . 1 . 2]" 1
250 1 22 TYR H 1 22 TYR QE 6.000 . 6.000 4.680 4.407 5.025 . 0 0 "[ . 1 . 2]" 1
251 1 22 TYR H 1 23 ILE H 5.620 . 5.620 4.459 4.427 4.509 . 0 0 "[ . 1 . 2]" 1
252 1 22 TYR HA 1 23 ILE H 3.830 . 3.830 2.352 2.293 2.422 . 0 0 "[ . 1 . 2]" 1
253 1 22 TYR HA 1 58 ARG QB 5.210 . 5.210 4.276 3.722 4.754 . 0 0 "[ . 1 . 2]" 1
254 1 22 TYR HB2 1 23 ILE H 4.760 . 4.760 3.940 3.778 4.172 . 0 0 "[ . 1 . 2]" 1
255 1 22 TYR HB2 1 58 ARG QB 4.720 . 4.720 3.044 2.506 3.720 . 0 0 "[ . 1 . 2]" 1
256 1 22 TYR HB2 1 58 ARG QD 4.830 . 4.830 3.372 1.853 4.828 . 0 0 "[ . 1 . 2]" 1
257 1 22 TYR HB3 1 23 ILE H 4.470 . 4.470 2.984 2.688 3.349 . 0 0 "[ . 1 . 2]" 1
258 1 22 TYR HB3 1 23 ILE HB 6.000 . 6.000 5.109 4.805 5.540 . 0 0 "[ . 1 . 2]" 1
259 1 22 TYR HB3 1 58 ARG QB 4.370 . 4.370 2.196 1.786 2.815 0.014 7 0 "[ . 1 . 2]" 1
260 1 22 TYR HB3 1 58 ARG QG 4.450 . 4.450 2.746 1.743 4.306 0.057 12 0 "[ . 1 . 2]" 1
261 1 22 TYR HB3 1 59 ILE H 4.930 . 4.930 3.570 2.611 4.485 . 0 0 "[ . 1 . 2]" 1
262 1 22 TYR HB3 1 59 ILE HB 6.000 . 6.000 5.095 4.262 5.932 . 0 0 "[ . 1 . 2]" 1
263 1 22 TYR QD 1 58 ARG QB 4.750 . 4.750 3.514 1.935 4.433 . 0 0 "[ . 1 . 2]" 1
264 1 22 TYR QD 1 58 ARG QD 5.090 . 5.090 3.531 2.662 4.721 . 0 0 "[ . 1 . 2]" 1
265 1 22 TYR QD 1 58 ARG QG 4.780 . 4.780 3.228 2.268 4.690 . 0 0 "[ . 1 . 2]" 1
266 1 22 TYR QD 1 59 ILE HA 6.000 . 6.000 5.116 3.989 6.016 0.016 7 0 "[ . 1 . 2]" 1
267 1 22 TYR QD 1 60 ASP HA 4.170 . 4.170 2.264 1.767 3.223 0.033 19 0 "[ . 1 . 2]" 1
268 1 22 TYR QD 1 60 ASP HB2 4.860 . 4.860 3.029 1.977 4.425 . 0 0 "[ . 1 . 2]" 1
269 1 22 TYR QD 1 60 ASP QB 4.280 . 4.280 2.699 1.807 3.947 . 0 0 "[ . 1 . 2]" 1
270 1 22 TYR QD 1 60 ASP HB3 4.860 . 4.860 3.711 1.813 4.789 . 0 0 "[ . 1 . 2]" 1
271 1 22 TYR QE 1 58 ARG QD 5.550 . 5.550 4.450 3.079 5.682 0.132 7 0 "[ . 1 . 2]" 1
272 1 22 TYR QE 1 58 ARG QG 5.400 . 5.400 4.448 3.436 5.504 0.104 15 0 "[ . 1 . 2]" 1
273 1 22 TYR QE 1 60 ASP HA 5.370 . 5.370 3.728 3.117 5.155 . 0 0 "[ . 1 . 2]" 1
274 1 22 TYR QE 1 60 ASP HB2 5.000 . 5.000 3.202 2.048 4.898 . 0 0 "[ . 1 . 2]" 1
275 1 22 TYR QE 1 60 ASP QB 4.140 . 4.140 2.855 2.003 4.194 0.054 17 0 "[ . 1 . 2]" 1
276 1 22 TYR QE 1 60 ASP HB3 5.000 . 5.000 3.904 2.412 5.033 0.033 4 0 "[ . 1 . 2]" 1
277 1 23 ILE H 1 23 ILE HB 4.060 . 4.060 2.509 2.277 2.647 . 0 0 "[ . 1 . 2]" 1
278 1 23 ILE H 1 23 ILE QG 4.670 . 4.670 2.269 2.064 3.227 . 0 0 "[ . 1 . 2]" 1
279 1 23 ILE H 1 24 ASP H 5.550 . 5.550 4.391 4.215 4.505 . 0 0 "[ . 1 . 2]" 1
280 1 23 ILE H 1 58 ARG HA 5.430 . 5.430 5.213 4.541 5.521 0.091 6 0 "[ . 1 . 2]" 1
281 1 23 ILE H 1 58 ARG QB 5.120 . 5.120 3.903 3.031 4.503 . 0 0 "[ . 1 . 2]" 1
282 1 23 ILE H 1 59 ILE H 4.270 . 4.270 3.160 2.601 3.500 . 0 0 "[ . 1 . 2]" 1
283 1 23 ILE H 1 60 ASP H 6.000 . 6.000 4.772 4.598 5.405 . 0 0 "[ . 1 . 2]" 1
284 1 23 ILE HA 1 24 ASP H 3.700 . 3.700 2.171 2.131 2.244 . 0 0 "[ . 1 . 2]" 1
285 1 23 ILE HA 1 59 ILE H 5.710 . 5.710 4.705 4.296 5.114 . 0 0 "[ . 1 . 2]" 1
286 1 23 ILE HB 1 24 ASP H 5.430 . 5.430 4.239 4.085 4.431 . 0 0 "[ . 1 . 2]" 1
287 1 23 ILE HB 1 59 ILE H 4.340 . 4.340 3.214 2.685 3.963 . 0 0 "[ . 1 . 2]" 1
288 1 23 ILE MD 1 23 ILE MG 3.620 . 3.620 1.895 1.743 3.032 0.057 6 0 "[ . 1 . 2]" 1
289 1 23 ILE MG 1 24 ASP H 4.340 . 4.340 2.982 2.635 3.269 . 0 0 "[ . 1 . 2]" 1
290 1 23 ILE MG 1 27 GLU QG 5.250 . 5.250 4.456 3.663 4.793 . 0 0 "[ . 1 . 2]" 1
291 1 23 ILE MG 1 28 LEU H 4.890 . 4.890 3.562 3.034 3.981 . 0 0 "[ . 1 . 2]" 1
292 1 24 ASP H 1 24 ASP QB 3.830 . 3.830 2.398 2.218 3.055 . 0 0 "[ . 1 . 2]" 1
293 1 24 ASP H 1 26 ASP H 5.930 . 5.930 5.157 4.796 5.665 . 0 0 "[ . 1 . 2]" 1
294 1 24 ASP H 1 27 GLU H 4.730 . 4.730 3.543 3.117 3.948 . 0 0 "[ . 1 . 2]" 1
295 1 24 ASP H 1 27 GLU QG 4.900 . 4.900 3.032 2.497 3.793 . 0 0 "[ . 1 . 2]" 1
296 1 24 ASP H 1 59 ILE H 6.000 . 6.000 4.873 4.483 5.466 . 0 0 "[ . 1 . 2]" 1
297 1 24 ASP HA 1 25 LEU H 3.980 . 3.980 2.380 2.311 2.542 . 0 0 "[ . 1 . 2]" 1
298 1 24 ASP HA 1 25 LEU HA 5.420 . 5.420 4.468 4.391 4.521 . 0 0 "[ . 1 . 2]" 1
299 1 24 ASP HA 1 26 ASP H 5.730 . 5.730 4.422 4.125 4.720 . 0 0 "[ . 1 . 2]" 1
300 1 24 ASP HA 1 48 MET ME 4.530 . 4.530 3.356 2.114 4.612 0.082 17 0 "[ . 1 . 2]" 1
301 1 24 ASP QB 1 25 LEU H 3.730 . 3.730 2.801 2.267 3.427 . 0 0 "[ . 1 . 2]" 1
302 1 24 ASP QB 1 25 LEU HG 5.620 . 5.620 5.145 4.401 6.027 0.407 6 0 "[ . 1 . 2]" 1
303 1 24 ASP QB 1 26 ASP H 4.360 . 4.360 2.933 2.565 3.270 . 0 0 "[ . 1 . 2]" 1
304 1 24 ASP QB 1 27 GLU H 4.230 . 4.230 2.529 2.084 3.893 . 0 0 "[ . 1 . 2]" 1
305 1 24 ASP HB2 1 26 ASP H 4.850 . 4.850 3.742 2.884 4.537 . 0 0 "[ . 1 . 2]" 1
306 1 24 ASP HB3 1 26 ASP H 4.850 . 4.850 3.220 2.649 4.755 . 0 0 "[ . 1 . 2]" 1
307 1 25 LEU H 1 25 LEU MD1 4.760 . 4.760 3.321 1.975 4.118 . 0 0 "[ . 1 . 2]" 1
308 1 25 LEU H 1 25 LEU MD2 4.760 . 4.760 3.734 2.986 4.281 . 0 0 "[ . 1 . 2]" 1
309 1 25 LEU H 1 25 LEU HG 4.850 . 4.850 2.908 2.021 4.451 . 0 0 "[ . 1 . 2]" 1
310 1 25 LEU H 1 26 ASP H 4.040 . 4.040 2.847 2.694 3.067 . 0 0 "[ . 1 . 2]" 1
311 1 25 LEU H 1 26 ASP HB2 6.000 . 6.000 5.079 4.910 5.502 . 0 0 "[ . 1 . 2]" 1
312 1 25 LEU H 1 48 MET ME 5.160 . 5.160 3.121 2.214 4.319 . 0 0 "[ . 1 . 2]" 1
313 1 25 LEU HA 1 25 LEU QD 3.780 . 3.780 2.267 1.772 3.087 0.028 1 0 "[ . 1 . 2]" 1
314 1 25 LEU HA 1 28 LEU QD 4.130 . 4.130 2.523 1.845 3.457 . 0 0 "[ . 1 . 2]" 1
315 1 25 LEU HA 1 48 MET ME 5.030 . 5.030 3.931 2.432 5.031 0.001 20 0 "[ . 1 . 2]" 1
316 1 25 LEU QD 1 26 ASP H 5.590 . 5.590 3.779 2.834 4.073 . 0 0 "[ . 1 . 2]" 1
317 1 25 LEU QD 1 48 MET H 5.160 . 5.160 3.651 2.693 4.543 . 0 0 "[ . 1 . 2]" 1
318 1 25 LEU QD 1 48 MET HB2 3.780 . 3.780 2.160 1.677 3.432 0.123 1 0 "[ . 1 . 2]" 1
319 1 25 LEU QD 1 48 MET HB3 4.650 . 4.650 2.690 2.149 3.895 . 0 0 "[ . 1 . 2]" 1
320 1 25 LEU QD 1 48 MET ME 3.350 . 3.350 2.625 1.783 3.475 0.125 3 0 "[ . 1 . 2]" 1
321 1 25 LEU QD 1 48 MET QG 4.170 . 4.170 2.408 1.794 3.432 0.006 16 0 "[ . 1 . 2]" 1
322 1 25 LEU QD 1 49 LYS H 6.000 . 6.000 4.600 3.923 5.258 . 0 0 "[ . 1 . 2]" 1
323 1 25 LEU MD1 1 26 ASP H 6.000 . 6.000 4.178 2.876 4.593 . 0 0 "[ . 1 . 2]" 1
324 1 25 LEU MD2 1 26 ASP H 6.000 . 6.000 4.498 3.599 4.809 . 0 0 "[ . 1 . 2]" 1
325 1 26 ASP H 1 26 ASP HB2 3.640 . 3.640 2.403 2.216 2.560 . 0 0 "[ . 1 . 2]" 1
326 1 26 ASP H 1 26 ASP HB3 4.070 . 4.070 2.764 2.403 3.577 . 0 0 "[ . 1 . 2]" 1
327 1 26 ASP H 1 27 GLU H 3.860 . 3.860 2.725 2.672 2.777 . 0 0 "[ . 1 . 2]" 1
328 1 26 ASP H 1 28 LEU QB 5.940 . 5.940 4.989 4.615 5.938 . 0 0 "[ . 1 . 2]" 1
329 1 26 ASP H 1 29 LYS H 6.000 . 6.000 4.665 4.476 4.981 . 0 0 "[ . 1 . 2]" 1
330 1 26 ASP HA 1 29 LYS H 4.830 . 4.830 3.403 3.177 3.805 . 0 0 "[ . 1 . 2]" 1
331 1 26 ASP HA 1 29 LYS QB 5.410 . 5.410 3.091 1.924 4.145 . 0 0 "[ . 1 . 2]" 1
332 1 26 ASP HA 1 29 LYS QD 4.850 . 4.850 3.092 2.240 4.012 . 0 0 "[ . 1 . 2]" 1
333 1 26 ASP HA 1 30 ILE H 5.150 . 5.150 3.917 3.457 4.613 . 0 0 "[ . 1 . 2]" 1
334 1 26 ASP HB2 1 27 GLU H 4.740 . 4.740 3.610 2.618 3.923 . 0 0 "[ . 1 . 2]" 1
335 1 26 ASP HB2 1 29 LYS QD 6.000 . 6.000 4.983 4.000 5.928 . 0 0 "[ . 1 . 2]" 1
336 1 26 ASP HB2 1 30 ILE MD 5.680 . 5.680 4.910 3.819 5.783 0.103 4 0 "[ . 1 . 2]" 1
337 1 26 ASP HB3 1 27 GLU H 4.420 . 4.420 2.696 2.304 3.718 . 0 0 "[ . 1 . 2]" 1
338 1 26 ASP HB3 1 29 LYS QD 6.000 . 6.000 5.056 2.921 6.229 0.229 6 0 "[ . 1 . 2]" 1
339 1 26 ASP HB3 1 30 ILE MD 5.000 . 5.000 4.172 2.545 5.056 0.056 3 0 "[ . 1 . 2]" 1
340 1 27 GLU H 1 27 GLU QG 3.780 . 3.780 2.139 1.973 2.905 . 0 0 "[ . 1 . 2]" 1
341 1 27 GLU HA 1 30 ILE H 4.790 . 4.790 3.652 3.368 4.083 . 0 0 "[ . 1 . 2]" 1
342 1 27 GLU QB 1 28 LEU H 4.730 . 4.730 2.557 2.322 2.732 . 0 0 "[ . 1 . 2]" 1
343 1 27 GLU QB 1 30 ILE HB 5.810 . 5.810 4.687 4.032 5.232 . 0 0 "[ . 1 . 2]" 1
344 1 27 GLU QB 1 30 ILE MD 5.560 . 5.560 4.903 3.916 5.704 0.144 4 0 "[ . 1 . 2]" 1
345 1 27 GLU QG 1 30 ILE MD 5.090 . 5.090 4.060 2.971 5.122 0.032 4 0 "[ . 1 . 2]" 1
346 1 28 LEU H 1 28 LEU QB 3.790 . 3.790 2.331 2.138 2.484 . 0 0 "[ . 1 . 2]" 1
347 1 28 LEU H 1 28 LEU MD1 5.610 . 5.610 3.696 3.170 4.150 . 0 0 "[ . 1 . 2]" 1
348 1 28 LEU H 1 28 LEU QD 4.700 . 4.700 3.211 2.921 3.728 . 0 0 "[ . 1 . 2]" 1
349 1 28 LEU H 1 28 LEU MD2 5.610 . 5.610 3.582 3.034 4.294 . 0 0 "[ . 1 . 2]" 1
350 1 28 LEU H 1 28 LEU HG 4.570 . 4.570 2.874 2.070 4.464 . 0 0 "[ . 1 . 2]" 1
351 1 28 LEU H 1 30 ILE H 5.300 . 5.300 4.253 4.038 4.447 . 0 0 "[ . 1 . 2]" 1
352 1 28 LEU H 1 30 ILE HB 6.000 . 6.000 5.289 4.793 5.620 . 0 0 "[ . 1 . 2]" 1
353 1 28 LEU HA 1 28 LEU QD 3.870 . 3.870 2.296 1.921 3.381 . 0 0 "[ . 1 . 2]" 1
354 1 28 LEU HA 1 29 LYS H 4.560 . 4.560 3.602 3.546 3.661 . 0 0 "[ . 1 . 2]" 1
355 1 28 LEU HA 1 31 MET H 4.820 . 4.820 3.669 3.286 4.107 . 0 0 "[ . 1 . 2]" 1
356 1 28 LEU QB 1 29 LYS H 3.850 . 3.850 2.519 2.229 3.580 . 0 0 "[ . 1 . 2]" 1
357 1 28 LEU QD 1 29 LYS H 6.000 . 6.000 3.785 2.609 4.092 . 0 0 "[ . 1 . 2]" 1
358 1 28 LEU QD 1 47 LEU HB3 3.970 . 3.970 3.341 2.434 4.006 0.036 13 0 "[ . 1 . 2]" 1
359 1 28 LEU QD 1 48 MET H 5.050 . 5.050 3.672 2.819 4.918 . 0 0 "[ . 1 . 2]" 1
360 1 28 LEU QD 1 48 MET HA 4.730 . 4.730 3.137 1.833 4.298 . 0 0 "[ . 1 . 2]" 1
361 1 29 LYS H 1 29 LYS QD 5.440 . 5.440 4.060 3.509 4.626 . 0 0 "[ . 1 . 2]" 1
362 1 29 LYS H 1 29 LYS QE 6.000 . 6.000 4.946 3.977 5.995 . 0 0 "[ . 1 . 2]" 1
363 1 29 LYS H 1 29 LYS QG 5.100 . 5.100 2.893 1.824 4.028 . 0 0 "[ . 1 . 2]" 1
364 1 29 LYS H 1 30 ILE H 3.940 . 3.940 2.801 2.644 2.925 . 0 0 "[ . 1 . 2]" 1
365 1 29 LYS H 1 31 MET H 5.220 . 5.220 4.288 4.074 4.417 . 0 0 "[ . 1 . 2]" 1
366 1 29 LYS H 1 44 ILE MG 4.790 . 4.790 3.195 2.396 4.615 . 0 0 "[ . 1 . 2]" 1
367 1 29 LYS HA 1 32 LEU H 4.780 . 4.780 3.458 2.970 4.059 . 0 0 "[ . 1 . 2]" 1
368 1 29 LYS HA 1 32 LEU QD 4.430 . 4.430 3.067 2.044 4.110 . 0 0 "[ . 1 . 2]" 1
369 1 29 LYS HA 1 33 GLN H 5.900 . 5.900 4.043 3.710 4.246 . 0 0 "[ . 1 . 2]" 1
370 1 29 LYS HA 1 44 ILE MG 5.200 . 5.200 3.235 1.961 4.461 . 0 0 "[ . 1 . 2]" 1
371 1 29 LYS QB 1 29 LYS QE 4.080 . 4.080 2.990 2.091 3.855 . 0 0 "[ . 1 . 2]" 1
372 1 29 LYS QB 1 30 ILE H 4.750 . 4.750 2.995 2.024 3.560 . 0 0 "[ . 1 . 2]" 1
373 1 29 LYS QB 1 33 GLN HG2 5.790 . 5.790 5.041 4.143 5.862 0.072 15 0 "[ . 1 . 2]" 1
374 1 29 LYS QB 1 44 ILE MG 4.540 . 4.540 2.680 1.966 3.609 . 0 0 "[ . 1 . 2]" 1
375 1 29 LYS QD 1 30 ILE H 3.970 . 3.970 3.034 2.227 3.886 . 0 0 "[ . 1 . 2]" 1
376 1 29 LYS QD 1 30 ILE HA 4.300 . 4.300 3.355 2.431 4.422 0.122 3 0 "[ . 1 . 2]" 1
377 1 29 LYS QD 1 30 ILE MD 4.040 . 4.040 3.651 2.633 4.181 0.141 10 0 "[ . 1 . 2]" 1
378 1 29 LYS QD 1 30 ILE QG 3.470 . 3.470 2.512 1.787 3.570 0.100 4 0 "[ . 1 . 2]" 1
379 1 29 LYS QD 1 33 GLN HG2 5.640 . 5.640 4.550 2.933 5.645 0.005 18 0 "[ . 1 . 2]" 1
380 1 29 LYS QE 1 33 GLN HG3 5.760 . 5.760 4.863 3.472 5.830 0.070 4 0 "[ . 1 . 2]" 1
381 1 29 LYS QE 1 44 ILE MG 6.000 . 6.000 5.083 2.858 6.008 0.008 7 0 "[ . 1 . 2]" 1
382 1 29 LYS QG 1 44 ILE MG 5.000 . 5.000 3.662 3.001 4.206 . 0 0 "[ . 1 . 2]" 1
383 1 30 ILE H 1 30 ILE HB 3.920 . 3.920 2.451 2.360 2.561 . 0 0 "[ . 1 . 2]" 1
384 1 30 ILE H 1 30 ILE MD 4.820 . 4.820 3.530 3.330 3.941 . 0 0 "[ . 1 . 2]" 1
385 1 30 ILE H 1 30 ILE QG 4.640 . 4.640 2.070 1.919 2.317 . 0 0 "[ . 1 . 2]" 1
386 1 30 ILE H 1 30 ILE MG 4.770 . 4.770 3.759 3.709 3.788 . 0 0 "[ . 1 . 2]" 1
387 1 30 ILE H 1 31 MET H 4.090 . 4.090 2.795 2.600 2.947 . 0 0 "[ . 1 . 2]" 1
388 1 30 ILE H 1 31 MET QB 5.530 . 5.530 4.565 4.246 5.182 . 0 0 "[ . 1 . 2]" 1
389 1 30 ILE H 1 33 GLN H 6.000 . 6.000 4.649 4.471 4.788 . 0 0 "[ . 1 . 2]" 1
390 1 30 ILE HA 1 33 GLN H 4.480 . 4.480 3.306 3.006 3.576 . 0 0 "[ . 1 . 2]" 1
391 1 30 ILE HA 1 33 GLN QB 4.860 . 4.860 2.362 2.046 2.720 . 0 0 "[ . 1 . 2]" 1
392 1 30 ILE HA 1 33 GLN HG2 5.190 . 5.190 4.452 3.855 4.878 . 0 0 "[ . 1 . 2]" 1
393 1 30 ILE HA 1 34 ALA H 5.490 . 5.490 4.039 3.782 4.423 . 0 0 "[ . 1 . 2]" 1
394 1 30 ILE HA 1 34 ALA MB 6.000 . 6.000 4.658 4.264 5.210 . 0 0 "[ . 1 . 2]" 1
395 1 30 ILE HB 1 31 MET H 4.520 . 4.520 2.666 2.370 2.873 . 0 0 "[ . 1 . 2]" 1
396 1 30 ILE HB 1 31 MET QB 5.600 . 5.600 4.408 3.943 4.848 . 0 0 "[ . 1 . 2]" 1
397 1 30 ILE QG 1 33 GLN QB 5.820 . 5.820 4.187 3.733 5.147 . 0 0 "[ . 1 . 2]" 1
398 1 30 ILE QG 1 33 GLN HG3 5.850 . 5.850 4.717 4.109 5.156 . 0 0 "[ . 1 . 2]" 1
399 1 30 ILE MG 1 31 MET H 4.500 . 4.500 3.480 3.259 3.696 . 0 0 "[ . 1 . 2]" 1
400 1 30 ILE MG 1 33 GLN H 5.640 . 5.640 4.666 4.387 4.936 . 0 0 "[ . 1 . 2]" 1
401 1 30 ILE MG 1 33 GLN QB 4.970 . 4.970 3.462 2.972 3.885 . 0 0 "[ . 1 . 2]" 1
402 1 30 ILE MG 1 34 ALA H 5.790 . 5.790 4.039 3.540 4.407 . 0 0 "[ . 1 . 2]" 1
403 1 31 MET H 1 32 LEU H 4.020 . 4.020 2.747 2.639 2.902 . 0 0 "[ . 1 . 2]" 1
404 1 31 MET H 1 33 GLN H 5.260 . 5.260 4.117 3.956 4.237 . 0 0 "[ . 1 . 2]" 1
405 1 31 MET HA 1 33 GLN H 5.560 . 5.560 4.520 4.371 4.635 . 0 0 "[ . 1 . 2]" 1
406 1 31 MET ME 1 32 LEU HA 4.630 . 4.630 4.292 3.533 4.803 0.173 17 0 "[ . 1 . 2]" 1
407 1 31 MET ME 1 32 LEU QD 4.010 . 4.010 3.631 1.904 4.161 0.151 3 0 "[ . 1 . 2]" 1
408 1 31 MET ME 1 35 THR MG 4.430 . 4.430 4.109 2.087 4.659 0.229 3 0 "[ . 1 . 2]" 1
409 1 32 LEU H 1 32 LEU MD1 4.950 . 4.950 3.430 2.040 4.012 . 0 0 "[ . 1 . 2]" 1
410 1 32 LEU H 1 32 LEU MD2 4.950 . 4.950 3.149 2.015 4.227 . 0 0 "[ . 1 . 2]" 1
411 1 32 LEU H 1 32 LEU HG 5.480 . 5.480 3.263 2.103 4.502 . 0 0 "[ . 1 . 2]" 1
412 1 32 LEU H 1 33 GLN H 4.050 . 4.050 2.685 2.610 2.780 . 0 0 "[ . 1 . 2]" 1
413 1 32 LEU H 1 35 THR MG 5.810 . 5.810 5.745 5.191 5.894 0.084 19 0 "[ . 1 . 2]" 1
414 1 32 LEU HA 1 32 LEU QD 3.610 . 3.610 2.030 1.787 2.922 0.013 7 0 "[ . 1 . 2]" 1
415 1 32 LEU HA 1 35 THR H 5.220 . 5.220 3.353 3.090 3.655 . 0 0 "[ . 1 . 2]" 1
416 1 32 LEU HA 1 35 THR MG 3.600 . 3.600 3.529 3.287 3.707 0.107 18 0 "[ . 1 . 2]" 1
417 1 32 LEU HA 1 37 GLU H 5.690 . 5.690 4.317 3.026 5.396 . 0 0 "[ . 1 . 2]" 1
418 1 32 LEU HA 1 39 ILE MD 5.190 . 5.190 4.200 3.340 5.199 0.009 4 0 "[ . 1 . 2]" 1
419 1 32 LEU QB 1 33 GLN H 4.300 . 4.300 2.604 2.366 2.782 . 0 0 "[ . 1 . 2]" 1
420 1 32 LEU QB 1 39 ILE MD 3.850 . 3.850 2.393 1.727 3.896 0.073 3 0 "[ . 1 . 2]" 1
421 1 32 LEU HB2 1 33 GLN H 4.890 . 4.890 2.876 2.580 3.881 . 0 0 "[ . 1 . 2]" 1
422 1 32 LEU HB3 1 33 GLN H 4.890 . 4.890 3.375 2.394 3.747 . 0 0 "[ . 1 . 2]" 1
423 1 32 LEU QD 1 33 GLN H 6.000 . 6.000 3.982 3.819 4.153 . 0 0 "[ . 1 . 2]" 1
424 1 32 LEU QD 1 35 THR H 5.870 . 5.870 4.519 4.066 5.059 . 0 0 "[ . 1 . 2]" 1
425 1 32 LEU QD 1 35 THR MG 3.690 . 3.690 3.435 2.881 3.829 0.139 17 0 "[ . 1 . 2]" 1
426 1 32 LEU QD 1 36 GLY H 6.000 . 6.000 5.136 4.204 6.110 0.110 12 0 "[ . 1 . 2]" 1
427 1 32 LEU QD 1 37 GLU QB 4.130 . 4.130 3.214 1.934 4.142 0.012 9 0 "[ . 1 . 2]" 1
428 1 33 GLN H 1 33 GLN HG2 4.310 . 4.310 3.325 2.247 3.543 . 0 0 "[ . 1 . 2]" 1
429 1 33 GLN H 1 33 GLN HG3 4.550 . 4.550 2.298 2.134 3.235 . 0 0 "[ . 1 . 2]" 1
430 1 33 GLN H 1 34 ALA H 3.920 . 3.920 2.703 2.650 2.749 . 0 0 "[ . 1 . 2]" 1
431 1 33 GLN H 1 34 ALA MB 5.360 . 5.360 4.337 4.251 4.404 . 0 0 "[ . 1 . 2]" 1
432 1 33 GLN H 1 35 THR H 5.300 . 5.300 4.106 3.954 4.284 . 0 0 "[ . 1 . 2]" 1
433 1 33 GLN H 1 39 ILE MD 5.030 . 5.030 3.478 2.456 5.056 0.026 9 0 "[ . 1 . 2]" 1
434 1 33 GLN HA 1 39 ILE MD 4.540 . 4.540 3.008 1.934 4.634 0.094 14 0 "[ . 1 . 2]" 1
435 1 33 GLN QB 1 34 ALA H 4.980 . 4.980 2.648 2.548 2.805 . 0 0 "[ . 1 . 2]" 1
436 1 33 GLN QB 1 34 ALA MB 5.080 . 5.080 3.822 3.646 4.000 . 0 0 "[ . 1 . 2]" 1
437 1 33 GLN HG2 1 34 ALA H 5.720 . 5.720 5.000 4.469 5.135 . 0 0 "[ . 1 . 2]" 1
438 1 33 GLN HG2 1 39 ILE QG 4.970 . 4.970 3.861 2.024 5.024 0.054 3 0 "[ . 1 . 2]" 1
439 1 34 ALA H 1 34 ALA MB 3.490 . 3.490 2.192 2.155 2.225 . 0 0 "[ . 1 . 2]" 1
440 1 34 ALA H 1 35 THR MG 5.240 . 5.240 5.514 4.707 5.619 0.379 15 0 "[ . 1 . 2]" 1
441 1 34 ALA MB 1 35 THR H 4.230 . 4.230 2.426 2.308 2.728 . 0 0 "[ . 1 . 2]" 1
442 1 35 THR H 1 35 THR HB 4.300 . 4.300 2.593 2.326 3.521 . 0 0 "[ . 1 . 2]" 1
443 1 35 THR H 1 35 THR MG 3.780 . 3.780 3.547 2.661 3.661 . 0 0 "[ . 1 . 2]" 1
444 1 35 THR H 1 36 GLY H 3.630 . 3.630 2.817 2.588 4.041 0.411 12 0 "[ . 1 . 2]" 1
445 1 35 THR MG 1 36 GLY H 5.040 . 5.040 3.767 3.496 4.290 . 0 0 "[ . 1 . 2]" 1
446 1 35 THR MG 1 37 GLU H 4.410 . 4.410 3.424 2.638 4.445 0.035 18 0 "[ . 1 . 2]" 1
447 1 35 THR MG 1 37 GLU QB 4.080 . 4.080 3.089 1.876 4.183 0.103 19 0 "[ . 1 . 2]" 1
448 1 35 THR MG 1 37 GLU QG 5.000 . 5.000 2.780 1.745 4.797 0.055 16 0 "[ . 1 . 2]" 1
449 1 36 GLY H 1 37 GLU H 4.400 . 4.400 2.548 2.098 3.709 . 0 0 "[ . 1 . 2]" 1
450 1 36 GLY HA2 1 37 GLU H 4.040 . 4.040 3.045 2.666 3.461 . 0 0 "[ . 1 . 2]" 1
451 1 37 GLU H 1 37 GLU QB 3.860 . 3.860 2.331 1.940 2.491 . 0 0 "[ . 1 . 2]" 1
452 1 37 GLU H 1 38 THR H 5.430 . 5.430 4.320 2.847 4.708 . 0 0 "[ . 1 . 2]" 1
453 1 37 GLU H 1 39 ILE MD 5.480 . 5.480 4.133 2.471 5.588 0.108 6 0 "[ . 1 . 2]" 1
454 1 37 GLU QB 1 38 THR H 5.070 . 5.070 2.732 1.856 3.894 . 0 0 "[ . 1 . 2]" 1
455 1 38 THR HB 1 39 ILE H 4.040 . 4.040 3.749 2.526 4.210 0.170 10 0 "[ . 1 . 2]" 1
456 1 38 THR MG 1 39 ILE H 5.030 . 5.030 3.595 2.705 4.450 . 0 0 "[ . 1 . 2]" 1
457 1 39 ILE H 1 39 ILE HB 4.010 . 4.010 3.177 2.329 3.781 . 0 0 "[ . 1 . 2]" 1
458 1 39 ILE H 1 39 ILE MD 5.190 . 5.190 3.415 1.882 4.516 . 0 0 "[ . 1 . 2]" 1
459 1 39 ILE H 1 39 ILE QG 4.480 . 4.480 2.696 1.995 4.156 . 0 0 "[ . 1 . 2]" 1
460 1 39 ILE H 1 40 THR H 5.230 . 5.230 4.007 2.432 4.552 . 0 0 "[ . 1 . 2]" 1
461 1 39 ILE HA 1 39 ILE MD 3.840 . 3.840 3.168 1.953 4.087 0.247 17 0 "[ . 1 . 2]" 1
462 1 39 ILE HA 1 40 THR H 3.630 . 3.630 2.565 2.223 3.588 . 0 0 "[ . 1 . 2]" 1
463 1 39 ILE HB 1 40 THR H 5.590 . 5.590 3.599 2.566 4.352 . 0 0 "[ . 1 . 2]" 1
464 1 39 ILE MD 1 39 ILE MG 3.470 . 3.470 1.923 1.721 3.202 0.079 6 0 "[ . 1 . 2]" 1
465 1 39 ILE MD 1 40 THR H 4.950 . 4.950 4.459 3.598 5.159 0.209 4 0 "[ . 1 . 2]" 1
466 1 39 ILE QG 1 40 THR H 6.000 . 6.000 4.024 2.485 4.972 . 0 0 "[ . 1 . 2]" 1
467 1 39 ILE MG 1 40 THR H 4.480 . 4.480 3.614 2.453 4.335 . 0 0 "[ . 1 . 2]" 1
468 1 40 THR H 1 43 ASP H 5.140 . 5.140 4.223 3.565 4.894 . 0 0 "[ . 1 . 2]" 1
469 1 40 THR H 1 43 ASP QB 4.180 . 4.180 3.412 2.296 4.400 0.220 16 0 "[ . 1 . 2]" 1
470 1 40 THR H 1 44 ILE H 5.280 . 5.280 4.421 3.593 5.347 0.067 7 0 "[ . 1 . 2]" 1
471 1 40 THR HB 1 42 ASP H 3.800 . 3.800 3.410 2.864 3.866 0.066 17 0 "[ . 1 . 2]" 1
472 1 40 THR HB 1 43 ASP H 4.150 . 4.150 2.693 2.103 4.220 0.070 17 0 "[ . 1 . 2]" 1
473 1 40 THR HB 1 43 ASP QB 4.810 . 4.810 3.144 1.818 4.837 0.027 17 0 "[ . 1 . 2]" 1
474 1 40 THR MG 1 41 GLU H 4.840 . 4.840 3.283 2.496 4.522 . 0 0 "[ . 1 . 2]" 1
475 1 40 THR MG 1 41 GLU QB 5.830 . 5.830 4.496 3.633 5.435 . 0 0 "[ . 1 . 2]" 1
476 1 40 THR MG 1 41 GLU QG 5.700 . 5.700 4.633 3.535 5.249 . 0 0 "[ . 1 . 2]" 1
477 1 40 THR MG 1 43 ASP H 5.430 . 5.430 3.763 2.463 5.455 0.025 17 0 "[ . 1 . 2]" 1
478 1 41 GLU H 1 41 GLU QG 4.450 . 4.450 2.328 1.941 4.016 . 0 0 "[ . 1 . 2]" 1
479 1 41 GLU H 1 42 ASP H 4.170 . 4.170 2.874 2.647 3.688 . 0 0 "[ . 1 . 2]" 1
480 1 41 GLU H 1 43 ASP H 5.450 . 5.450 4.278 2.863 5.231 . 0 0 "[ . 1 . 2]" 1
481 1 41 GLU HA 1 43 ASP H 5.290 . 5.290 4.448 4.069 4.771 . 0 0 "[ . 1 . 2]" 1
482 1 41 GLU HA 1 44 ILE H 4.760 . 4.760 3.447 2.858 4.274 . 0 0 "[ . 1 . 2]" 1
483 1 41 GLU HA 1 44 ILE HB 4.190 . 4.190 2.702 1.917 3.535 . 0 0 "[ . 1 . 2]" 1
484 1 41 GLU HA 1 44 ILE MD 3.950 . 3.950 2.544 1.776 4.135 0.185 6 0 "[ . 1 . 2]" 1
485 1 41 GLU HA 1 45 GLU H 5.000 . 5.000 4.179 3.623 4.692 . 0 0 "[ . 1 . 2]" 1
486 1 41 GLU QB 1 42 ASP H 4.230 . 4.230 2.674 1.921 3.911 . 0 0 "[ . 1 . 2]" 1
487 1 41 GLU QB 1 44 ILE MD 5.560 . 5.560 4.162 3.263 5.553 . 0 0 "[ . 1 . 2]" 1
488 1 41 GLU QB 1 45 GLU H 5.840 . 5.840 4.728 4.091 5.358 . 0 0 "[ . 1 . 2]" 1
489 1 41 GLU QG 1 44 ILE HB 6.000 . 6.000 4.682 3.534 5.628 . 0 0 "[ . 1 . 2]" 1
490 1 41 GLU QG 1 44 ILE MD 5.020 . 5.020 3.674 2.030 5.196 0.176 4 0 "[ . 1 . 2]" 1
491 1 42 ASP H 1 42 ASP QB 3.750 . 3.750 2.467 2.132 2.718 . 0 0 "[ . 1 . 2]" 1
492 1 42 ASP H 1 43 ASP H 3.970 . 3.970 2.715 2.114 2.959 . 0 0 "[ . 1 . 2]" 1
493 1 42 ASP H 1 44 ILE MD 5.690 . 5.690 4.977 4.240 5.806 0.116 20 0 "[ . 1 . 2]" 1
494 1 42 ASP H 1 45 GLU H 5.930 . 5.930 4.620 3.338 4.979 . 0 0 "[ . 1 . 2]" 1
495 1 42 ASP HA 1 44 ILE H 5.820 . 5.820 4.474 4.146 4.682 . 0 0 "[ . 1 . 2]" 1
496 1 42 ASP HA 1 45 GLU QB 4.840 . 4.840 2.513 1.764 3.572 0.036 3 0 "[ . 1 . 2]" 1
497 1 42 ASP HA 1 46 GLU H 5.270 . 5.270 4.150 3.494 4.586 . 0 0 "[ . 1 . 2]" 1
498 1 42 ASP HA 1 46 GLU QB 5.970 . 5.970 5.214 4.632 5.956 . 0 0 "[ . 1 . 2]" 1
499 1 42 ASP QB 1 43 ASP H 3.960 . 3.960 2.920 2.304 3.545 . 0 0 "[ . 1 . 2]" 1
500 1 43 ASP H 1 43 ASP QB 3.720 . 3.720 2.376 2.172 2.623 . 0 0 "[ . 1 . 2]" 1
501 1 43 ASP H 1 44 ILE H 4.050 . 4.050 2.670 2.491 2.832 . 0 0 "[ . 1 . 2]" 1
502 1 43 ASP H 1 44 ILE HB 5.760 . 5.760 4.751 4.467 5.072 . 0 0 "[ . 1 . 2]" 1
503 1 43 ASP H 1 45 GLU H 5.040 . 5.040 4.100 3.936 4.358 . 0 0 "[ . 1 . 2]" 1
504 1 43 ASP QB 1 44 ILE H 3.950 . 3.950 2.783 2.266 3.640 . 0 0 "[ . 1 . 2]" 1
505 1 43 ASP QB 1 44 ILE MD 4.370 . 4.370 4.202 2.803 4.649 0.279 11 0 "[ . 1 . 2]" 1
506 1 44 ILE H 1 44 ILE HB 3.690 . 3.690 2.492 2.279 2.685 . 0 0 "[ . 1 . 2]" 1
507 1 44 ILE H 1 44 ILE MD 3.980 . 3.980 3.057 2.458 3.495 . 0 0 "[ . 1 . 2]" 1
508 1 44 ILE H 1 45 GLU H 4.010 . 4.010 2.722 2.420 2.913 . 0 0 "[ . 1 . 2]" 1
509 1 44 ILE H 1 46 GLU H 5.550 . 5.550 4.214 3.900 4.570 . 0 0 "[ . 1 . 2]" 1
510 1 44 ILE HA 1 44 ILE MD 4.790 . 4.790 3.395 2.004 3.922 . 0 0 "[ . 1 . 2]" 1
511 1 44 ILE HA 1 44 ILE MG 3.610 . 3.610 2.432 2.264 2.567 . 0 0 "[ . 1 . 2]" 1
512 1 44 ILE HA 1 46 GLU H 5.730 . 5.730 4.557 4.220 5.073 . 0 0 "[ . 1 . 2]" 1
513 1 44 ILE HA 1 47 LEU H 4.760 . 4.760 3.611 3.208 4.210 . 0 0 "[ . 1 . 2]" 1
514 1 44 ILE HA 1 47 LEU HB2 4.470 . 4.470 2.858 2.298 3.952 . 0 0 "[ . 1 . 2]" 1
515 1 44 ILE HA 1 47 LEU HB3 5.230 . 5.230 4.151 2.530 4.933 . 0 0 "[ . 1 . 2]" 1
516 1 44 ILE HA 1 47 LEU QD 5.120 . 5.120 2.953 1.983 3.975 . 0 0 "[ . 1 . 2]" 1
517 1 44 ILE HB 1 45 GLU H 3.970 . 3.970 2.496 2.254 2.719 . 0 0 "[ . 1 . 2]" 1
518 1 44 ILE HB 1 45 GLU QB 5.300 . 5.300 4.043 3.550 4.444 . 0 0 "[ . 1 . 2]" 1
519 1 44 ILE MG 1 45 GLU H 4.630 . 4.630 3.475 3.336 3.686 . 0 0 "[ . 1 . 2]" 1
520 1 44 ILE MG 1 45 GLU HA 4.570 . 4.570 3.709 3.484 4.003 . 0 0 "[ . 1 . 2]" 1
521 1 44 ILE MG 1 46 GLU H 6.000 . 6.000 5.185 4.950 5.458 . 0 0 "[ . 1 . 2]" 1
522 1 45 GLU H 1 45 GLU QB 3.480 . 3.480 2.161 1.998 2.534 . 0 0 "[ . 1 . 2]" 1
523 1 45 GLU H 1 45 GLU QG 4.990 . 4.990 3.397 2.254 4.005 . 0 0 "[ . 1 . 2]" 1
524 1 45 GLU H 1 46 GLU H 3.970 . 3.970 2.776 2.616 2.920 . 0 0 "[ . 1 . 2]" 1
525 1 45 GLU HA 1 49 LYS H 5.920 . 5.920 4.284 3.212 4.960 . 0 0 "[ . 1 . 2]" 1
526 1 45 GLU HA 1 49 LYS QE 5.130 . 5.130 3.668 2.702 4.732 . 0 0 "[ . 1 . 2]" 1
527 1 45 GLU QB 1 46 GLU H 3.750 . 3.750 2.644 2.182 3.640 . 0 0 "[ . 1 . 2]" 1
528 1 45 GLU QG 1 49 LYS QD 5.390 . 5.390 4.491 3.149 5.649 0.259 16 0 "[ . 1 . 2]" 1
529 1 45 GLU QG 1 49 LYS QE 4.540 . 4.540 3.109 1.749 4.603 0.063 17 0 "[ . 1 . 2]" 1
530 1 46 GLU H 1 46 GLU HG2 4.790 . 4.790 3.571 2.073 4.684 . 0 0 "[ . 1 . 2]" 1
531 1 46 GLU H 1 46 GLU QG 4.150 . 4.150 3.174 2.060 4.105 . 0 0 "[ . 1 . 2]" 1
532 1 46 GLU H 1 46 GLU HG3 4.790 . 4.790 3.936 2.149 4.539 . 0 0 "[ . 1 . 2]" 1
533 1 46 GLU H 1 47 LEU H 3.910 . 3.910 2.692 2.574 2.845 . 0 0 "[ . 1 . 2]" 1
534 1 46 GLU QG 1 47 LEU H 4.620 . 4.620 3.823 1.881 4.160 . 0 0 "[ . 1 . 2]" 1
535 1 46 GLU QG 1 47 LEU HA 5.390 . 5.390 4.804 3.935 5.795 0.405 9 0 "[ . 1 . 2]" 1
536 1 46 GLU QG 1 47 LEU QD 4.310 . 4.310 4.036 3.012 4.506 0.196 11 0 "[ . 1 . 2]" 1
537 1 47 LEU H 1 47 LEU QD 4.360 . 4.360 2.648 2.028 3.632 . 0 0 "[ . 1 . 2]" 1
538 1 47 LEU H 1 50 ASP HB2 6.000 . 6.000 5.788 5.239 6.116 0.116 20 0 "[ . 1 . 2]" 1
539 1 47 LEU H 1 50 ASP HB3 6.000 . 6.000 5.614 5.137 6.050 0.050 6 0 "[ . 1 . 2]" 1
540 1 47 LEU HA 1 47 LEU QD 3.690 . 3.690 2.141 1.812 2.783 . 0 0 "[ . 1 . 2]" 1
541 1 47 LEU HA 1 67 PHE QE 4.940 . 4.940 3.635 2.124 4.347 . 0 0 "[ . 1 . 2]" 1
542 1 47 LEU HB3 1 67 PHE QE 4.810 . 4.810 3.595 2.632 4.690 . 0 0 "[ . 1 . 2]" 1
543 1 47 LEU QD 1 48 MET H 5.900 . 5.900 4.001 3.775 4.176 . 0 0 "[ . 1 . 2]" 1
544 1 47 LEU QD 1 50 ASP HB3 5.100 . 5.100 3.929 3.165 4.950 . 0 0 "[ . 1 . 2]" 1
545 1 47 LEU QD 1 67 PHE QE 4.390 . 4.390 3.400 2.205 4.335 . 0 0 "[ . 1 . 2]" 1
546 1 48 MET H 1 48 MET HB2 4.020 . 4.020 2.615 2.332 3.121 . 0 0 "[ . 1 . 2]" 1
547 1 48 MET H 1 51 GLY H 5.910 . 5.910 4.692 4.485 5.049 . 0 0 "[ . 1 . 2]" 1
548 1 48 MET HA 1 49 LYS QE 5.970 . 5.970 5.827 5.252 6.218 0.248 13 0 "[ . 1 . 2]" 1
549 1 48 MET HA 1 51 GLY H 4.770 . 4.770 3.498 3.194 3.887 . 0 0 "[ . 1 . 2]" 1
550 1 48 MET HA 1 51 GLY HA3 5.400 . 5.400 3.723 3.221 4.215 . 0 0 "[ . 1 . 2]" 1
551 1 48 MET HA 1 59 ILE MD 4.270 . 4.270 2.529 2.014 3.307 . 0 0 "[ . 1 . 2]" 1
552 1 48 MET HB3 1 49 LYS H 4.040 . 4.040 2.635 2.278 3.485 . 0 0 "[ . 1 . 2]" 1
553 1 48 MET HB3 1 50 ASP H 5.970 . 5.970 5.119 4.872 5.549 . 0 0 "[ . 1 . 2]" 1
554 1 48 MET ME 1 52 ASP HB2 5.020 . 5.020 3.165 1.841 5.040 0.020 17 0 "[ . 1 . 2]" 1
555 1 48 MET ME 1 57 GLY HA2 5.090 . 5.090 3.427 1.805 4.638 . 0 0 "[ . 1 . 2]" 1
556 1 48 MET ME 1 57 GLY HA3 5.650 . 5.650 4.262 3.136 5.072 . 0 0 "[ . 1 . 2]" 1
557 1 48 MET ME 1 58 ARG H 5.330 . 5.330 3.764 2.503 5.310 . 0 0 "[ . 1 . 2]" 1
558 1 48 MET QG 1 49 LYS H 5.350 . 5.350 3.342 2.496 4.066 . 0 0 "[ . 1 . 2]" 1
559 1 48 MET QG 1 49 LYS QB 5.500 . 5.500 4.710 3.868 5.643 0.143 16 0 "[ . 1 . 2]" 1
560 1 48 MET QG 1 49 LYS QD 5.190 . 5.190 4.046 2.509 5.063 . 0 0 "[ . 1 . 2]" 1
561 1 48 MET QG 1 49 LYS QE 3.770 . 3.770 3.774 3.077 3.981 0.211 3 0 "[ . 1 . 2]" 1
562 1 48 MET QG 1 52 ASP HB2 4.930 . 4.930 3.174 1.994 5.190 0.260 16 0 "[ . 1 . 2]" 1
563 1 49 LYS H 1 49 LYS QB 3.720 . 3.720 2.349 2.055 2.598 . 0 0 "[ . 1 . 2]" 1
564 1 49 LYS H 1 49 LYS QD 4.560 . 4.560 3.200 1.968 4.074 . 0 0 "[ . 1 . 2]" 1
565 1 49 LYS H 1 49 LYS QE 4.940 . 4.940 3.401 2.390 4.022 . 0 0 "[ . 1 . 2]" 1
566 1 49 LYS H 1 49 LYS QG 4.850 . 4.850 2.451 1.882 3.789 . 0 0 "[ . 1 . 2]" 1
567 1 49 LYS H 1 50 ASP H 3.900 . 3.900 2.761 2.643 2.902 . 0 0 "[ . 1 . 2]" 1
568 1 49 LYS H 1 50 ASP HB2 6.000 . 6.000 5.122 4.862 5.336 . 0 0 "[ . 1 . 2]" 1
569 1 49 LYS H 1 50 ASP HB3 5.970 . 5.970 4.995 4.730 5.229 . 0 0 "[ . 1 . 2]" 1
570 1 49 LYS H 1 51 GLY H 4.970 . 4.970 4.124 3.950 4.334 . 0 0 "[ . 1 . 2]" 1
571 1 49 LYS HA 1 49 LYS QD 4.770 . 4.770 2.899 1.790 4.056 0.010 16 0 "[ . 1 . 2]" 1
572 1 49 LYS HA 1 49 LYS QE 4.790 . 4.790 4.078 3.267 4.709 . 0 0 "[ . 1 . 2]" 1
573 1 49 LYS HA 1 50 ASP H 4.570 . 4.570 3.593 3.531 3.634 . 0 0 "[ . 1 . 2]" 1
574 1 49 LYS HA 1 52 ASP H 4.340 . 4.340 3.539 3.134 4.181 . 0 0 "[ . 1 . 2]" 1
575 1 49 LYS HA 1 52 ASP HB2 5.230 . 5.230 4.064 3.341 5.011 . 0 0 "[ . 1 . 2]" 1
576 1 49 LYS QB 1 50 ASP H 4.030 . 4.030 2.564 2.294 2.813 . 0 0 "[ . 1 . 2]" 1
577 1 49 LYS QB 1 51 GLY H 5.600 . 5.600 4.681 4.539 4.954 . 0 0 "[ . 1 . 2]" 1
578 1 49 LYS QD 1 50 ASP H 5.850 . 5.850 4.687 4.256 5.078 . 0 0 "[ . 1 . 2]" 1
579 1 49 LYS QE 1 50 ASP H 6.000 . 6.000 5.396 4.143 6.152 0.152 14 0 "[ . 1 . 2]" 1
580 1 50 ASP H 1 50 ASP HB2 3.800 . 3.800 2.488 2.324 2.645 . 0 0 "[ . 1 . 2]" 1
581 1 50 ASP H 1 50 ASP HB3 3.860 . 3.860 2.570 2.312 2.714 . 0 0 "[ . 1 . 2]" 1
582 1 50 ASP H 1 51 GLY H 3.850 . 3.850 2.631 2.507 2.711 . 0 0 "[ . 1 . 2]" 1
583 1 50 ASP H 1 52 ASP H 5.140 . 5.140 4.199 3.926 4.436 . 0 0 "[ . 1 . 2]" 1
584 1 50 ASP H 1 67 PHE QE 5.670 . 5.670 4.682 4.189 5.023 . 0 0 "[ . 1 . 2]" 1
585 1 50 ASP HB2 1 67 PHE QE 4.820 . 4.820 4.462 3.750 4.850 0.030 5 0 "[ . 1 . 2]" 1
586 1 50 ASP HB3 1 51 GLY H 4.460 . 4.460 2.453 2.156 2.695 . 0 0 "[ . 1 . 2]" 1
587 1 50 ASP HB3 1 67 PHE QE 4.540 . 4.540 2.815 2.122 3.299 . 0 0 "[ . 1 . 2]" 1
588 1 51 GLY H 1 52 ASP H 3.960 . 3.960 2.745 2.433 3.007 . 0 0 "[ . 1 . 2]" 1
589 1 51 GLY H 1 59 ILE MD 4.740 . 4.740 3.500 3.037 4.516 . 0 0 "[ . 1 . 2]" 1
590 1 51 GLY HA2 1 53 LYS H 6.000 . 6.000 4.918 3.844 6.101 0.101 9 0 "[ . 1 . 2]" 1
591 1 51 GLY HA2 1 53 LYS QE 5.100 . 5.100 3.187 2.128 3.968 . 0 0 "[ . 1 . 2]" 1
592 1 51 GLY HA2 1 59 ILE MD 4.580 . 4.580 3.471 2.810 4.576 . 0 0 "[ . 1 . 2]" 1
593 1 51 GLY HA2 1 59 ILE MG 5.090 . 5.090 3.408 2.726 4.896 . 0 0 "[ . 1 . 2]" 1
594 1 51 GLY HA2 1 67 PHE HA 4.940 . 4.940 3.745 1.947 4.959 0.019 9 0 "[ . 1 . 2]" 1
595 1 51 GLY HA2 1 67 PHE QB 4.700 . 4.700 2.814 2.029 3.900 . 0 0 "[ . 1 . 2]" 1
596 1 51 GLY HA3 1 53 LYS QE 4.860 . 4.860 4.465 3.712 4.992 0.132 11 0 "[ . 1 . 2]" 1
597 1 51 GLY HA3 1 59 ILE MD 4.120 . 4.120 2.241 1.854 3.115 . 0 0 "[ . 1 . 2]" 1
598 1 51 GLY HA3 1 59 ILE MG 5.030 . 5.030 2.952 2.380 3.964 . 0 0 "[ . 1 . 2]" 1
599 1 51 GLY HA3 1 64 PHE HA 6.000 . 6.000 5.340 4.663 5.685 . 0 0 "[ . 1 . 2]" 1
600 1 51 GLY HA3 1 67 PHE QB 5.130 . 5.130 3.708 2.643 5.039 . 0 0 "[ . 1 . 2]" 1
601 1 52 ASP H 1 52 ASP HB2 3.940 . 3.940 2.404 2.152 2.626 . 0 0 "[ . 1 . 2]" 1
602 1 52 ASP H 1 53 LYS H 5.610 . 5.610 4.164 3.582 4.615 . 0 0 "[ . 1 . 2]" 1
603 1 52 ASP H 1 53 LYS QE 5.000 . 5.000 4.318 3.112 5.303 0.303 14 0 "[ . 1 . 2]" 1
604 1 52 ASP H 1 59 ILE MD 4.520 . 4.520 2.925 2.186 4.121 . 0 0 "[ . 1 . 2]" 1
605 1 52 ASP HA 1 53 LYS H 3.720 . 3.720 2.300 2.168 2.558 . 0 0 "[ . 1 . 2]" 1
606 1 52 ASP HA 1 54 ASN H 4.740 . 4.740 3.721 3.340 4.188 . 0 0 "[ . 1 . 2]" 1
607 1 52 ASP HA 1 59 ILE MD 5.190 . 5.190 3.223 2.219 4.903 . 0 0 "[ . 1 . 2]" 1
608 1 52 ASP HB2 1 53 LYS H 5.710 . 5.710 4.571 4.204 4.729 . 0 0 "[ . 1 . 2]" 1
609 1 52 ASP HB2 1 59 ILE MD 4.660 . 4.660 2.937 1.917 4.831 0.171 10 0 "[ . 1 . 2]" 1
610 1 53 LYS H 1 53 LYS QB 3.810 . 3.810 2.429 2.180 2.611 . 0 0 "[ . 1 . 2]" 1
611 1 53 LYS H 1 53 LYS QD 4.850 . 4.850 3.421 1.948 4.020 . 0 0 "[ . 1 . 2]" 1
612 1 53 LYS H 1 53 LYS HG2 4.680 . 4.680 2.562 1.866 4.242 . 0 0 "[ . 1 . 2]" 1
613 1 53 LYS H 1 53 LYS QG 4.150 . 4.150 2.293 1.857 3.616 . 0 0 "[ . 1 . 2]" 1
614 1 53 LYS H 1 53 LYS HG3 4.680 . 4.680 3.353 1.916 4.092 . 0 0 "[ . 1 . 2]" 1
615 1 53 LYS H 1 54 ASN H 3.790 . 3.790 2.625 2.094 2.903 . 0 0 "[ . 1 . 2]" 1
616 1 53 LYS H 1 60 ASP H 6.000 . 6.000 5.166 4.339 6.048 0.048 4 0 "[ . 1 . 2]" 1
617 1 53 LYS H 1 63 GLU HA 6.000 . 6.000 4.113 3.324 4.993 . 0 0 "[ . 1 . 2]" 1
618 1 53 LYS H 1 63 GLU HB3 4.570 . 4.570 2.965 2.345 3.750 . 0 0 "[ . 1 . 2]" 1
619 1 53 LYS H 1 63 GLU QG 4.700 . 4.700 2.738 2.101 3.253 . 0 0 "[ . 1 . 2]" 1
620 1 53 LYS HA 1 53 LYS QD 4.330 . 4.330 2.509 1.885 3.918 . 0 0 "[ . 1 . 2]" 1
621 1 53 LYS HA 1 54 ASN H 4.540 . 4.540 3.566 3.462 3.609 . 0 0 "[ . 1 . 2]" 1
622 1 53 LYS HA 1 55 ASN H 5.170 . 5.170 4.030 3.654 4.448 . 0 0 "[ . 1 . 2]" 1
623 1 53 LYS QB 1 54 ASN H 4.180 . 4.180 2.747 2.462 3.325 . 0 0 "[ . 1 . 2]" 1
624 1 53 LYS QB 1 55 ASN H 6.000 . 6.000 4.633 4.452 5.073 . 0 0 "[ . 1 . 2]" 1
625 1 53 LYS QB 1 63 GLU QG 4.870 . 4.870 2.534 1.749 3.717 0.051 20 0 "[ . 1 . 2]" 1
626 1 53 LYS QG 1 63 GLU HB3 4.650 . 4.650 3.367 2.159 4.658 0.008 17 0 "[ . 1 . 2]" 1
627 1 53 LYS QG 1 63 GLU QG 4.810 . 4.810 3.204 2.375 4.145 . 0 0 "[ . 1 . 2]" 1
628 1 53 LYS HG2 1 63 GLU HB3 5.200 . 5.200 3.745 2.181 5.326 0.126 8 0 "[ . 1 . 2]" 1
629 1 53 LYS HG3 1 63 GLU HB3 5.200 . 5.200 4.350 3.462 5.347 0.147 4 0 "[ . 1 . 2]" 1
630 1 54 ASN H 1 55 ASN H 3.630 . 3.630 2.637 2.250 2.870 . 0 0 "[ . 1 . 2]" 1
631 1 54 ASN H 1 56 ASP H 5.290 . 5.290 3.818 3.102 4.179 . 0 0 "[ . 1 . 2]" 1
632 1 54 ASN H 1 63 GLU HB3 6.000 . 6.000 4.850 4.110 5.897 . 0 0 "[ . 1 . 2]" 1
633 1 54 ASN HA 1 55 ASN H 4.380 . 4.380 3.343 2.974 3.498 . 0 0 "[ . 1 . 2]" 1
634 1 54 ASN QB 1 55 ASN H 5.390 . 5.390 3.552 3.259 4.009 . 0 0 "[ . 1 . 2]" 1
635 1 55 ASN H 1 56 ASP H 4.040 . 4.040 2.782 2.606 2.908 . 0 0 "[ . 1 . 2]" 1
636 1 55 ASN HA 1 56 ASP H 3.940 . 3.940 2.841 2.728 3.009 . 0 0 "[ . 1 . 2]" 1
637 1 55 ASN HA 1 57 GLY H 5.080 . 5.080 3.267 3.122 3.543 . 0 0 "[ . 1 . 2]" 1
638 1 55 ASN QB 1 56 ASP H 5.420 . 5.420 3.881 3.836 4.077 . 0 0 "[ . 1 . 2]" 1
639 1 56 ASP H 1 57 GLY H 3.620 . 3.620 2.516 2.309 2.688 . 0 0 "[ . 1 . 2]" 1
640 1 56 ASP H 1 57 GLY HA2 5.420 . 5.420 4.869 4.606 5.088 . 0 0 "[ . 1 . 2]" 1
641 1 56 ASP H 1 57 GLY HA3 6.000 . 6.000 5.168 5.007 5.302 . 0 0 "[ . 1 . 2]" 1
642 1 56 ASP QB 1 57 GLY HA3 5.880 . 5.880 4.806 4.659 5.047 . 0 0 "[ . 1 . 2]" 1
643 1 57 GLY H 1 58 ARG H 3.680 . 3.680 2.684 2.492 2.880 . 0 0 "[ . 1 . 2]" 1
644 1 57 GLY HA2 1 58 ARG H 4.410 . 4.410 3.417 3.271 3.561 . 0 0 "[ . 1 . 2]" 1
645 1 57 GLY HA3 1 58 ARG H 4.490 . 4.490 3.311 3.141 3.433 . 0 0 "[ . 1 . 2]" 1
646 1 57 GLY HA3 1 58 ARG QD 5.660 . 5.660 4.438 2.930 5.721 0.061 15 0 "[ . 1 . 2]" 1
647 1 58 ARG H 1 58 ARG HD2 5.510 . 5.510 4.445 2.692 5.438 . 0 0 "[ . 1 . 2]" 1
648 1 58 ARG H 1 58 ARG QD 4.850 . 4.850 3.860 2.621 4.547 . 0 0 "[ . 1 . 2]" 1
649 1 58 ARG H 1 58 ARG HD3 5.510 . 5.510 4.418 3.605 5.023 . 0 0 "[ . 1 . 2]" 1
650 1 58 ARG H 1 58 ARG QG 4.230 . 4.230 2.448 2.016 4.013 . 0 0 "[ . 1 . 2]" 1
651 1 58 ARG H 1 59 ILE H 5.550 . 5.550 4.449 4.366 4.538 . 0 0 "[ . 1 . 2]" 1
652 1 58 ARG HA 1 59 ILE H 3.880 . 3.880 2.431 2.308 2.593 . 0 0 "[ . 1 . 2]" 1
653 1 58 ARG QB 1 59 ILE H 4.720 . 4.720 2.676 2.190 3.087 . 0 0 "[ . 1 . 2]" 1
654 1 58 ARG QG 1 59 ILE H 5.230 . 5.230 3.867 3.290 4.683 . 0 0 "[ . 1 . 2]" 1
655 1 58 ARG QG 1 59 ILE MD 5.840 . 5.840 5.360 4.410 6.082 0.242 4 0 "[ . 1 . 2]" 1
656 1 58 ARG QG 1 60 ASP QB 5.310 . 5.310 4.467 3.008 5.538 0.228 2 0 "[ . 1 . 2]" 1
657 1 59 ILE H 1 59 ILE MD 4.410 . 4.410 3.239 2.599 3.680 . 0 0 "[ . 1 . 2]" 1
658 1 59 ILE HA 1 60 ASP H 3.670 . 3.670 2.169 2.087 2.245 . 0 0 "[ . 1 . 2]" 1
659 1 59 ILE HA 1 63 GLU H 6.000 . 6.000 5.165 4.811 5.468 . 0 0 "[ . 1 . 2]" 1
660 1 59 ILE HB 1 64 PHE HA 5.450 . 5.450 4.901 4.293 5.518 0.068 2 0 "[ . 1 . 2]" 1
661 1 59 ILE HB 1 67 PHE QE 6.000 . 6.000 5.992 5.113 6.164 0.164 8 0 "[ . 1 . 2]" 1
662 1 59 ILE MD 1 59 ILE MG 3.530 . 3.530 1.924 1.765 2.710 0.035 9 0 "[ . 1 . 2]" 1
663 1 59 ILE MD 1 60 ASP H 5.120 . 5.120 4.371 3.754 5.368 0.248 9 0 "[ . 1 . 2]" 1
664 1 59 ILE MD 1 63 GLU HB2 5.270 . 5.270 4.268 3.396 5.387 0.117 3 0 "[ . 1 . 2]" 1
665 1 59 ILE MD 1 67 PHE QE 5.560 . 5.560 4.064 2.382 4.990 . 0 0 "[ . 1 . 2]" 1
666 1 59 ILE MG 1 60 ASP H 4.160 . 4.160 3.111 2.870 3.324 . 0 0 "[ . 1 . 2]" 1
667 1 59 ILE MG 1 63 GLU H 5.880 . 5.880 4.312 3.829 4.769 . 0 0 "[ . 1 . 2]" 1
668 1 59 ILE MG 1 63 GLU HB2 3.560 . 3.560 2.488 2.032 2.841 . 0 0 "[ . 1 . 2]" 1
669 1 59 ILE MG 1 64 PHE H 4.190 . 4.190 2.826 2.388 3.257 . 0 0 "[ . 1 . 2]" 1
670 1 59 ILE MG 1 64 PHE HA 3.870 . 3.870 2.514 2.120 2.942 . 0 0 "[ . 1 . 2]" 1
671 1 59 ILE MG 1 64 PHE HB2 5.090 . 5.090 2.518 2.143 2.918 . 0 0 "[ . 1 . 2]" 1
672 1 59 ILE MG 1 64 PHE HB3 4.950 . 4.950 3.884 3.560 4.280 . 0 0 "[ . 1 . 2]" 1
673 1 60 ASP H 1 61 TYR H 5.670 . 5.670 4.550 4.384 4.616 . 0 0 "[ . 1 . 2]" 1
674 1 60 ASP H 1 63 GLU H 4.980 . 4.980 3.506 3.183 3.722 . 0 0 "[ . 1 . 2]" 1
675 1 60 ASP H 1 63 GLU HB2 4.080 . 4.080 1.982 1.793 2.135 0.007 10 0 "[ . 1 . 2]" 1
676 1 60 ASP H 1 63 GLU QG 4.890 . 4.890 2.860 2.549 3.112 . 0 0 "[ . 1 . 2]" 1
677 1 60 ASP HA 1 61 TYR H 4.050 . 4.050 2.463 2.342 2.661 . 0 0 "[ . 1 . 2]" 1
678 1 60 ASP QB 1 61 TYR H 3.760 . 3.760 2.951 2.034 3.463 . 0 0 "[ . 1 . 2]" 1
679 1 60 ASP QB 1 62 ASP H 4.760 . 4.760 3.208 2.911 3.637 . 0 0 "[ . 1 . 2]" 1
680 1 61 TYR H 1 61 TYR HB2 3.920 . 3.920 2.385 2.181 3.628 . 0 0 "[ . 1 . 2]" 1
681 1 61 TYR H 1 61 TYR HB3 3.920 . 3.920 2.549 2.341 3.172 . 0 0 "[ . 1 . 2]" 1
682 1 61 TYR H 1 61 TYR QD 5.450 . 5.450 4.035 2.745 4.162 . 0 0 "[ . 1 . 2]" 1
683 1 61 TYR H 1 62 ASP H 4.120 . 4.120 2.904 2.775 3.200 . 0 0 "[ . 1 . 2]" 1
684 1 61 TYR H 1 63 GLU H 5.320 . 5.320 4.308 4.157 4.484 . 0 0 "[ . 1 . 2]" 1
685 1 61 TYR HA 1 61 TYR QD 4.120 . 4.120 2.808 2.145 3.632 . 0 0 "[ . 1 . 2]" 1
686 1 61 TYR HA 1 61 TYR QE 5.850 . 5.850 4.608 4.376 5.515 . 0 0 "[ . 1 . 2]" 1
687 1 61 TYR HA 1 62 ASP HA 5.920 . 5.920 4.893 4.801 4.970 . 0 0 "[ . 1 . 2]" 1
688 1 61 TYR HA 1 63 GLU H 6.000 . 6.000 4.739 4.550 4.961 . 0 0 "[ . 1 . 2]" 1
689 1 61 TYR HA 1 64 PHE H 4.880 . 4.880 3.611 3.174 3.934 . 0 0 "[ . 1 . 2]" 1
690 1 61 TYR HB2 1 62 ASP H 5.070 . 5.070 3.707 3.320 3.825 . 0 0 "[ . 1 . 2]" 1
691 1 61 TYR HB3 1 62 ASP H 4.520 . 4.520 2.439 2.150 4.181 . 0 0 "[ . 1 . 2]" 1
692 1 61 TYR HB3 1 62 ASP QB 5.200 . 5.200 4.152 3.747 5.533 0.333 13 0 "[ . 1 . 2]" 1
693 1 61 TYR QD 1 62 ASP H 5.040 . 5.040 3.255 2.322 3.673 . 0 0 "[ . 1 . 2]" 1
694 1 61 TYR QD 1 62 ASP HA 4.860 . 4.860 3.429 3.034 4.333 . 0 0 "[ . 1 . 2]" 1
695 1 61 TYR QE 1 62 ASP HA 5.550 . 5.550 4.835 4.341 5.563 0.013 13 0 "[ . 1 . 2]" 1
696 1 62 ASP H 1 63 GLU H 3.780 . 3.780 2.713 2.639 2.779 . 0 0 "[ . 1 . 2]" 1
697 1 62 ASP H 1 63 GLU QG 5.740 . 5.740 4.248 4.040 4.464 . 0 0 "[ . 1 . 2]" 1
698 1 62 ASP H 1 64 PHE H 5.250 . 5.250 4.009 3.815 4.109 . 0 0 "[ . 1 . 2]" 1
699 1 62 ASP HA 1 65 LEU H 5.140 . 5.140 3.500 3.175 3.891 . 0 0 "[ . 1 . 2]" 1
700 1 62 ASP HA 1 65 LEU QB 5.050 . 5.050 2.925 2.307 3.708 . 0 0 "[ . 1 . 2]" 1
701 1 62 ASP HA 1 65 LEU QD 5.000 . 5.000 3.357 1.883 3.835 . 0 0 "[ . 1 . 2]" 1
702 1 63 GLU H 1 63 GLU QG 3.920 . 3.920 2.119 1.941 2.281 . 0 0 "[ . 1 . 2]" 1
703 1 63 GLU H 1 64 PHE H 3.980 . 3.980 2.648 2.549 2.729 . 0 0 "[ . 1 . 2]" 1
704 1 63 GLU H 1 64 PHE HB2 6.000 . 6.000 4.840 4.739 4.996 . 0 0 "[ . 1 . 2]" 1
705 1 63 GLU H 1 66 GLU H 6.000 . 6.000 5.205 4.742 5.612 . 0 0 "[ . 1 . 2]" 1
706 1 63 GLU HB2 1 64 PHE H 4.340 . 4.340 2.548 2.458 2.732 . 0 0 "[ . 1 . 2]" 1
707 1 63 GLU HB3 1 64 PHE H 5.510 . 5.510 3.648 3.537 3.782 . 0 0 "[ . 1 . 2]" 1
708 1 63 GLU QG 1 64 PHE H 5.330 . 5.330 4.004 3.912 4.105 . 0 0 "[ . 1 . 2]" 1
709 1 64 PHE H 1 64 PHE HB2 3.750 . 3.750 2.379 2.271 2.488 . 0 0 "[ . 1 . 2]" 1
710 1 64 PHE H 1 64 PHE HB3 3.910 . 3.910 2.555 2.443 2.754 . 0 0 "[ . 1 . 2]" 1
711 1 64 PHE H 1 65 LEU H 4.180 . 4.180 2.777 2.674 2.914 . 0 0 "[ . 1 . 2]" 1
712 1 64 PHE H 1 65 LEU QB 5.600 . 5.600 4.457 4.274 4.819 . 0 0 "[ . 1 . 2]" 1
713 1 64 PHE H 1 66 GLU H 5.770 . 5.770 4.406 4.009 4.792 . 0 0 "[ . 1 . 2]" 1
714 1 64 PHE H 1 67 PHE H 5.840 . 5.840 4.656 4.342 5.065 . 0 0 "[ . 1 . 2]" 1
715 1 64 PHE HA 1 66 GLU QG 5.730 . 5.730 5.041 4.264 5.855 0.125 15 0 "[ . 1 . 2]" 1
716 1 64 PHE HA 1 67 PHE H 4.550 . 4.550 3.314 3.025 3.738 . 0 0 "[ . 1 . 2]" 1
717 1 64 PHE HA 1 67 PHE QB 3.850 . 3.850 2.079 1.754 2.564 0.046 2 0 "[ . 1 . 2]" 1
718 1 64 PHE HA 1 68 MET H 5.040 . 5.040 3.900 3.428 5.115 0.075 4 0 "[ . 1 . 2]" 1
719 1 64 PHE HB2 1 65 LEU H 5.140 . 5.140 3.804 3.692 3.925 . 0 0 "[ . 1 . 2]" 1
720 1 64 PHE HB3 1 65 LEU H 4.580 . 4.580 2.517 2.332 2.710 . 0 0 "[ . 1 . 2]" 1
721 1 64 PHE HB3 1 65 LEU HA 5.420 . 5.420 4.261 4.048 4.481 . 0 0 "[ . 1 . 2]" 1
722 1 65 LEU H 1 65 LEU QB 3.870 . 3.870 2.218 2.152 2.519 . 0 0 "[ . 1 . 2]" 1
723 1 65 LEU H 1 65 LEU MD1 5.250 . 5.250 3.902 3.134 4.134 . 0 0 "[ . 1 . 2]" 1
724 1 65 LEU H 1 65 LEU MD2 5.250 . 5.250 4.062 1.937 4.276 . 0 0 "[ . 1 . 2]" 1
725 1 65 LEU H 1 66 GLU H 3.950 . 3.950 2.878 2.602 3.114 . 0 0 "[ . 1 . 2]" 1
726 1 65 LEU H 1 67 PHE H 5.040 . 5.040 4.097 3.925 4.239 . 0 0 "[ . 1 . 2]" 1
727 1 65 LEU HA 1 65 LEU QD 3.560 . 3.560 2.126 1.941 2.305 . 0 0 "[ . 1 . 2]" 1
728 1 65 LEU HA 1 67 PHE H 5.670 . 5.670 4.564 4.201 4.765 . 0 0 "[ . 1 . 2]" 1
729 1 65 LEU HA 1 68 MET H 5.030 . 5.030 3.821 3.476 4.204 . 0 0 "[ . 1 . 2]" 1
730 1 65 LEU QB 1 66 GLU H 4.120 . 4.120 2.421 2.116 2.592 . 0 0 "[ . 1 . 2]" 1
731 1 65 LEU QB 1 66 GLU QG 4.950 . 4.950 3.851 2.725 5.262 0.312 4 0 "[ . 1 . 2]" 1
732 1 65 LEU QD 1 66 GLU H 4.810 . 4.810 3.820 3.418 4.002 . 0 0 "[ . 1 . 2]" 1
733 1 65 LEU QD 1 66 GLU HA 4.880 . 4.880 4.372 3.811 5.032 0.152 20 0 "[ . 1 . 2]" 1
734 1 65 LEU QD 1 66 GLU QB 6.000 . 6.000 4.503 4.012 5.161 . 0 0 "[ . 1 . 2]" 1
735 1 65 LEU QD 1 68 MET ME 3.480 . 3.480 2.550 1.836 3.433 . 0 0 "[ . 1 . 2]" 1
736 1 65 LEU MD1 1 66 GLU H 5.780 . 5.780 4.504 4.086 4.653 . 0 0 "[ . 1 . 2]" 1
737 1 65 LEU MD1 1 66 GLU HA 5.590 . 5.590 4.971 3.998 5.698 0.108 20 0 "[ . 1 . 2]" 1
738 1 65 LEU MD2 1 66 GLU H 5.780 . 5.780 4.149 3.560 4.610 . 0 0 "[ . 1 . 2]" 1
739 1 65 LEU MD2 1 66 GLU HA 5.590 . 5.590 4.896 4.487 5.682 0.092 17 0 "[ . 1 . 2]" 1
740 1 65 LEU HG 1 66 GLU H 4.500 . 4.500 3.791 3.152 4.638 0.138 17 0 "[ . 1 . 2]" 1
741 1 66 GLU H 1 66 GLU QB 3.650 . 3.650 2.464 2.023 2.844 . 0 0 "[ . 1 . 2]" 1
742 1 66 GLU H 1 66 GLU QG 4.090 . 4.090 2.322 1.843 3.768 . 0 0 "[ . 1 . 2]" 1
743 1 66 GLU H 1 67 PHE H 3.820 . 3.820 2.536 2.386 2.721 . 0 0 "[ . 1 . 2]" 1
744 1 66 GLU H 1 67 PHE HA 6.000 . 6.000 5.259 5.136 5.407 . 0 0 "[ . 1 . 2]" 1
745 1 66 GLU H 1 67 PHE QB 5.700 . 5.700 4.141 3.965 4.396 . 0 0 "[ . 1 . 2]" 1
746 1 66 GLU H 1 68 MET H 5.530 . 5.530 4.253 3.956 4.494 . 0 0 "[ . 1 . 2]" 1
747 1 66 GLU H 1 68 MET ME 6.000 . 6.000 5.276 4.548 6.230 0.230 3 0 "[ . 1 . 2]" 1
748 1 66 GLU H 1 68 MET QG 5.880 . 5.880 4.771 3.866 5.810 . 0 0 "[ . 1 . 2]" 1
749 1 66 GLU HA 1 67 PHE HA 6.000 . 6.000 4.985 4.901 5.066 . 0 0 "[ . 1 . 2]" 1
750 1 66 GLU HA 1 69 LYS H 4.470 . 4.470 3.564 3.129 4.112 . 0 0 "[ . 1 . 2]" 1
751 1 66 GLU QG 1 68 MET H 5.750 . 5.750 4.959 4.438 5.809 0.059 10 0 "[ . 1 . 2]" 1
752 1 66 GLU QG 1 69 LYS H 6.000 . 6.000 5.318 4.543 6.025 0.025 14 0 "[ . 1 . 2]" 1
753 1 67 PHE H 1 67 PHE QB 3.600 . 3.600 2.136 2.034 2.196 . 0 0 "[ . 1 . 2]" 1
754 1 67 PHE H 1 68 MET H 4.130 . 4.130 2.825 2.698 2.925 . 0 0 "[ . 1 . 2]" 1
755 1 67 PHE H 1 69 LYS H 4.870 . 4.870 4.217 3.947 4.709 . 0 0 "[ . 1 . 2]" 1
756 1 67 PHE HA 1 69 LYS H 5.350 . 5.350 4.164 3.657 4.609 . 0 0 "[ . 1 . 2]" 1
757 1 67 PHE QB 1 68 MET H 4.080 . 4.080 2.438 2.259 2.642 . 0 0 "[ . 1 . 2]" 1
758 1 67 PHE QB 1 69 LYS H 5.830 . 5.830 4.593 4.477 4.888 . 0 0 "[ . 1 . 2]" 1
759 1 68 MET H 1 68 MET ME 4.590 . 4.590 3.970 3.111 4.632 0.042 7 0 "[ . 1 . 2]" 1
760 1 68 MET H 1 68 MET QG 3.940 . 3.940 2.212 1.887 2.706 . 0 0 "[ . 1 . 2]" 1
761 1 68 MET H 1 69 LYS H 3.780 . 3.780 2.810 2.516 3.070 . 0 0 "[ . 1 . 2]" 1
762 1 68 MET HA 1 69 LYS H 4.450 . 4.450 3.498 2.951 3.610 . 0 0 "[ . 1 . 2]" 1
763 1 68 MET HA 1 71 VAL H 5.280 . 5.280 3.404 2.847 4.117 . 0 0 "[ . 1 . 2]" 1
764 1 68 MET HA 1 71 VAL HB 4.930 . 4.930 3.291 2.144 4.667 . 0 0 "[ . 1 . 2]" 1
765 1 68 MET HA 1 71 VAL QG 3.980 . 3.980 2.800 1.854 4.011 0.031 19 0 "[ . 1 . 2]" 1
766 1 68 MET HA 1 72 GLU H 6.000 . 6.000 5.389 2.402 6.221 0.221 7 0 "[ . 1 . 2]" 1
767 1 69 LYS H 1 69 LYS QB 3.690 . 3.690 2.311 2.116 2.523 . 0 0 "[ . 1 . 2]" 1
768 1 69 LYS H 1 69 LYS QG 5.060 . 5.060 2.997 1.880 4.144 . 0 0 "[ . 1 . 2]" 1
769 1 69 LYS H 1 70 GLY H 4.990 . 4.990 3.302 2.515 4.584 . 0 0 "[ . 1 . 2]" 1
770 1 69 LYS H 1 71 VAL QG 5.440 . 5.440 4.342 2.729 5.517 0.077 19 0 "[ . 1 . 2]" 1
771 1 69 LYS HA 1 69 LYS QD 3.630 . 3.630 2.896 1.927 4.028 0.398 6 0 "[ . 1 . 2]" 1
772 1 69 LYS QB 1 70 GLY H 5.510 . 5.510 3.172 2.523 4.044 . 0 0 "[ . 1 . 2]" 1
773 1 69 LYS QG 1 70 GLY H 5.750 . 5.750 3.987 1.799 4.956 0.001 5 0 "[ . 1 . 2]" 1
774 1 70 GLY H 1 71 VAL H 4.460 . 4.460 2.583 2.187 2.983 . 0 0 "[ . 1 . 2]" 1
775 1 70 GLY QA 1 71 VAL H 4.100 . 4.100 2.855 2.546 3.018 . 0 0 "[ . 1 . 2]" 1
776 1 70 GLY QA 1 71 VAL QG 5.520 . 5.520 3.473 3.093 4.191 . 0 0 "[ . 1 . 2]" 1
777 1 71 VAL H 1 71 VAL HB 4.110 . 4.110 2.734 2.352 3.824 . 0 0 "[ . 1 . 2]" 1
778 1 71 VAL H 1 71 VAL QG 3.770 . 3.770 2.322 1.875 2.778 . 0 0 "[ . 1 . 2]" 1
779 1 71 VAL HA 1 72 GLU H 3.590 . 3.590 2.782 2.217 3.629 0.039 20 0 "[ . 1 . 2]" 1
780 1 71 VAL HB 1 72 GLU H 4.930 . 4.930 3.600 2.118 4.395 . 0 0 "[ . 1 . 2]" 1
781 1 71 VAL QG 1 72 GLU H 4.210 . 4.210 2.659 1.793 3.847 0.007 12 0 "[ . 1 . 2]" 1
782 1 71 VAL MG1 1 72 GLU H 4.980 . 4.980 2.913 1.834 4.319 . 0 0 "[ . 1 . 2]" 1
783 1 71 VAL MG2 1 72 GLU H 4.980 . 4.980 3.720 2.070 4.317 . 0 0 "[ . 1 . 2]" 1
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