NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
587498 |
4cz4   |
19929 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_4cz4
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 547
_Distance_constraint_stats_list.Viol_count 1312
_Distance_constraint_stats_list.Viol_total 780.742
_Distance_constraint_stats_list.Viol_max 0.185
_Distance_constraint_stats_list.Viol_rms 0.0128
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0036
_Distance_constraint_stats_list.Viol_average_violations_only 0.0298
_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 2 MET 1.889 0.132 14 0 "[ . 1 . 2]"
1 3 THR 0.045 0.045 19 0 "[ . 1 . 2]"
1 4 ARG 0.114 0.083 1 0 "[ . 1 . 2]"
1 5 SER 0.977 0.083 4 0 "[ . 1 . 2]"
1 6 ALA 0.776 0.072 6 0 "[ . 1 . 2]"
1 7 PHE 6.467 0.095 10 0 "[ . 1 . 2]"
1 8 ALA 1.469 0.071 9 0 "[ . 1 . 2]"
1 9 ASN 0.523 0.072 6 0 "[ . 1 . 2]"
1 10 LEU 6.829 0.132 14 0 "[ . 1 . 2]"
1 11 PRO 1.965 0.076 18 0 "[ . 1 . 2]"
1 12 LEU 2.238 0.063 5 0 "[ . 1 . 2]"
1 13 TRP 6.792 0.157 4 0 "[ . 1 . 2]"
1 14 LYS 8.450 0.157 4 0 "[ . 1 . 2]"
1 15 GLN 6.555 0.107 18 0 "[ . 1 . 2]"
1 16 GLN 4.951 0.090 19 0 "[ . 1 . 2]"
1 17 ALA 1.843 0.090 19 0 "[ . 1 . 2]"
1 18 LEU 7.163 0.105 17 0 "[ . 1 . 2]"
1 19 MET 6.976 0.185 12 0 "[ . 1 . 2]"
1 20 LYS 2.017 0.185 12 0 "[ . 1 . 2]"
1 21 GLU 0.726 0.105 17 0 "[ . 1 . 2]"
1 22 LYS 0.886 0.137 17 0 "[ . 1 . 2]"
1 23 GLY 0.210 0.063 7 0 "[ . 1 . 2]"
1 24 LEU 2.118 0.073 14 0 "[ . 1 . 2]"
1 25 PHE 0.472 0.065 1 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 2 MET H 1 2 MET QB 3.770 . 3.770 2.564 2.261 3.151 . 0 0 "[ . 1 . 2]" 1
2 1 2 MET H 1 2 MET HG2 5.300 . 5.300 4.047 2.053 5.031 . 0 0 "[ . 1 . 2]" 1
3 1 2 MET H 1 2 MET QG 4.490 . 4.490 3.673 2.021 4.166 . 0 0 "[ . 1 . 2]" 1
4 1 2 MET H 1 2 MET HG3 5.300 . 5.300 4.323 3.024 4.781 . 0 0 "[ . 1 . 2]" 1
5 1 2 MET H 1 3 THR H 5.090 . 5.090 4.206 3.882 4.434 . 0 0 "[ . 1 . 2]" 1
6 1 2 MET H 1 3 THR HA 5.500 . 5.500 4.894 4.499 5.331 . 0 0 "[ . 1 . 2]" 1
7 1 2 MET H 1 3 THR MG 5.270 . 5.270 4.455 3.794 5.315 0.045 19 0 "[ . 1 . 2]" 1
8 1 2 MET H 1 6 ALA MB 5.500 . 5.500 4.972 4.363 5.542 0.042 19 0 "[ . 1 . 2]" 1
9 1 2 MET HA 1 3 THR H 3.260 . 3.260 2.132 2.058 2.289 . 0 0 "[ . 1 . 2]" 1
10 1 2 MET HA 1 6 ALA MB 4.290 . 4.290 2.760 2.012 4.055 . 0 0 "[ . 1 . 2]" 1
11 1 2 MET QB 1 3 THR H 4.530 . 4.530 3.618 2.661 3.956 . 0 0 "[ . 1 . 2]" 1
12 1 2 MET QB 1 6 ALA MB 4.440 . 4.440 3.326 2.164 4.456 0.016 6 0 "[ . 1 . 2]" 1
13 1 2 MET ME 1 6 ALA MB 3.290 . 3.290 2.822 2.078 3.324 0.034 11 0 "[ . 1 . 2]" 1
14 1 2 MET ME 1 10 LEU H 5.010 . 5.010 5.043 4.811 5.142 0.132 14 0 "[ . 1 . 2]" 1
15 1 2 MET ME 1 10 LEU HB3 4.670 . 4.670 4.585 4.261 4.733 0.063 9 0 "[ . 1 . 2]" 1
16 1 2 MET ME 1 10 LEU MD1 3.270 . 3.270 1.756 1.353 2.101 . 0 0 "[ . 1 . 2]" 1
17 1 2 MET ME 1 10 LEU MD2 3.290 . 3.290 2.368 1.726 3.285 . 0 0 "[ . 1 . 2]" 1
18 1 2 MET ME 1 18 LEU MD1 3.380 . 3.380 2.700 1.974 3.250 . 0 0 "[ . 1 . 2]" 1
19 1 2 MET ME 1 18 LEU MD2 4.160 . 4.160 3.948 3.390 4.211 0.051 11 0 "[ . 1 . 2]" 1
20 1 2 MET QG 1 6 ALA MB 3.700 . 3.700 2.710 1.626 3.716 0.016 7 0 "[ . 1 . 2]" 1
21 1 2 MET QG 1 7 PHE H 4.540 . 4.540 3.700 2.859 4.567 0.027 13 0 "[ . 1 . 2]" 1
22 1 2 MET QG 1 7 PHE HA 5.070 . 5.070 4.138 3.249 5.134 0.064 15 0 "[ . 1 . 2]" 1
23 1 2 MET QG 1 7 PHE HB2 4.490 . 4.490 3.477 2.745 4.504 0.014 9 0 "[ . 1 . 2]" 1
24 1 2 MET QG 1 18 LEU MD1 4.660 . 4.660 3.925 2.695 4.606 . 0 0 "[ . 1 . 2]" 1
25 1 2 MET HG2 1 3 THR H 5.500 . 5.500 4.117 3.281 5.083 . 0 0 "[ . 1 . 2]" 1
26 1 2 MET HG2 1 18 LEU MD1 5.500 . 5.500 4.362 2.790 5.279 . 0 0 "[ . 1 . 2]" 1
27 1 2 MET HG3 1 3 THR H 5.500 . 5.500 3.540 2.836 4.814 . 0 0 "[ . 1 . 2]" 1
28 1 2 MET HG3 1 18 LEU MD1 5.500 . 5.500 4.534 3.564 5.314 . 0 0 "[ . 1 . 2]" 1
29 1 3 THR H 1 3 THR MG 3.520 . 3.520 2.565 2.297 2.872 . 0 0 "[ . 1 . 2]" 1
30 1 3 THR H 1 6 ALA MB 3.830 . 3.830 2.219 1.622 3.132 . 0 0 "[ . 1 . 2]" 1
31 1 3 THR HA 1 3 THR MG 3.400 . 3.400 2.329 2.254 2.404 . 0 0 "[ . 1 . 2]" 1
32 1 3 THR HA 1 4 ARG H 3.330 . 3.330 2.543 2.313 2.712 . 0 0 "[ . 1 . 2]" 1
33 1 3 THR HB 1 4 ARG H 4.370 . 4.370 2.208 1.959 2.469 . 0 0 "[ . 1 . 2]" 1
34 1 3 THR HB 1 6 ALA MB 4.920 . 4.920 4.376 4.037 4.773 . 0 0 "[ . 1 . 2]" 1
35 1 3 THR MG 1 4 ARG H 4.530 . 4.530 3.578 3.447 3.721 . 0 0 "[ . 1 . 2]" 1
36 1 4 ARG H 1 4 ARG HG2 5.290 . 5.290 3.737 1.926 4.606 . 0 0 "[ . 1 . 2]" 1
37 1 4 ARG H 1 4 ARG QG 4.500 . 4.500 3.031 1.905 4.018 . 0 0 "[ . 1 . 2]" 1
38 1 4 ARG H 1 4 ARG HG3 5.290 . 5.290 3.476 1.980 4.537 . 0 0 "[ . 1 . 2]" 1
39 1 4 ARG HA 1 4 ARG QD 4.250 . 4.250 3.618 1.918 4.333 0.083 1 0 "[ . 1 . 2]" 1
40 1 4 ARG HA 1 7 PHE H 4.000 . 4.000 3.189 2.697 3.512 . 0 0 "[ . 1 . 2]" 1
41 1 4 ARG HA 1 7 PHE HB2 3.990 . 3.990 3.138 2.761 3.610 . 0 0 "[ . 1 . 2]" 1
42 1 4 ARG HA 1 7 PHE HB3 3.780 . 3.780 2.105 1.672 2.561 . 0 0 "[ . 1 . 2]" 1
43 1 4 ARG HA 1 7 PHE QD 4.560 . 4.560 3.654 3.162 4.048 . 0 0 "[ . 1 . 2]" 1
44 1 4 ARG HB2 1 5 SER H 5.120 . 5.120 3.533 2.768 4.320 . 0 0 "[ . 1 . 2]" 1
45 1 4 ARG HB3 1 5 SER H 5.120 . 5.120 3.561 2.633 4.417 . 0 0 "[ . 1 . 2]" 1
46 1 5 SER H 1 6 ALA H 5.330 . 5.330 2.631 2.437 2.824 . 0 0 "[ . 1 . 2]" 1
47 1 5 SER HA 1 7 PHE H 4.670 . 4.670 4.344 4.144 4.610 . 0 0 "[ . 1 . 2]" 1
48 1 5 SER HA 1 8 ALA H 4.080 . 4.080 3.359 2.903 3.809 . 0 0 "[ . 1 . 2]" 1
49 1 5 SER HA 1 8 ALA MB 3.630 . 3.630 2.807 2.274 3.261 . 0 0 "[ . 1 . 2]" 1
50 1 5 SER HA 1 9 ASN H 5.420 . 5.420 4.890 4.611 5.182 . 0 0 "[ . 1 . 2]" 1
51 1 5 SER HA 1 9 ASN HD22 5.320 . 5.320 4.665 4.352 5.007 . 0 0 "[ . 1 . 2]" 1
52 1 5 SER QB 1 6 ALA H 3.880 . 3.880 2.435 2.200 3.140 . 0 0 "[ . 1 . 2]" 1
53 1 5 SER QB 1 7 PHE H 4.680 . 4.680 4.520 4.422 4.739 0.059 3 0 "[ . 1 . 2]" 1
54 1 5 SER HB2 1 6 ALA H 4.440 . 4.440 2.732 2.228 3.823 . 0 0 "[ . 1 . 2]" 1
55 1 5 SER HB2 1 7 PHE H 5.500 . 5.500 4.954 4.650 5.583 0.083 4 0 "[ . 1 . 2]" 1
56 1 5 SER HB3 1 6 ALA H 4.440 . 4.440 3.409 2.293 3.968 . 0 0 "[ . 1 . 2]" 1
57 1 5 SER HB3 1 7 PHE H 5.500 . 5.500 5.384 4.712 5.555 0.055 13 0 "[ . 1 . 2]" 1
58 1 6 ALA H 1 6 ALA MB 3.240 . 3.240 2.238 2.200 2.264 . 0 0 "[ . 1 . 2]" 1
59 1 6 ALA H 1 7 PHE H 3.830 . 3.830 2.568 2.378 2.651 . 0 0 "[ . 1 . 2]" 1
60 1 6 ALA HA 1 9 ASN H 4.530 . 4.530 3.582 3.391 3.765 . 0 0 "[ . 1 . 2]" 1
61 1 6 ALA HA 1 9 ASN HB2 4.230 . 4.230 2.951 2.531 3.232 . 0 0 "[ . 1 . 2]" 1
62 1 6 ALA HA 1 9 ASN HD21 4.960 . 4.960 2.749 2.509 2.856 . 0 0 "[ . 1 . 2]" 1
63 1 6 ALA HA 1 9 ASN HD22 4.290 . 4.290 4.156 3.855 4.298 0.008 2 0 "[ . 1 . 2]" 1
64 1 6 ALA MB 1 7 PHE H 3.300 . 3.300 2.488 2.379 2.588 . 0 0 "[ . 1 . 2]" 1
65 1 6 ALA MB 1 7 PHE HA 3.850 . 3.850 3.850 3.758 3.873 0.023 11 0 "[ . 1 . 2]" 1
66 1 6 ALA MB 1 9 ASN H 4.720 . 4.720 4.507 4.360 4.639 . 0 0 "[ . 1 . 2]" 1
67 1 6 ALA MB 1 9 ASN HD21 5.320 . 5.320 4.351 4.167 4.419 . 0 0 "[ . 1 . 2]" 1
68 1 6 ALA MB 1 9 ASN HD22 5.500 . 5.500 5.480 5.232 5.572 0.072 6 0 "[ . 1 . 2]" 1
69 1 6 ALA MB 1 10 LEU MD2 3.920 . 3.920 3.448 3.108 3.709 . 0 0 "[ . 1 . 2]" 1
70 1 7 PHE H 1 7 PHE HB2 3.090 . 3.090 2.715 2.600 2.782 . 0 0 "[ . 1 . 2]" 1
71 1 7 PHE H 1 7 PHE HB3 3.710 . 3.710 2.333 2.253 2.435 . 0 0 "[ . 1 . 2]" 1
72 1 7 PHE H 1 7 PHE QD 4.230 . 4.230 4.143 4.065 4.217 . 0 0 "[ . 1 . 2]" 1
73 1 7 PHE H 1 8 ALA H 3.360 . 3.360 2.744 2.634 2.838 . 0 0 "[ . 1 . 2]" 1
74 1 7 PHE H 1 8 ALA MB 4.670 . 4.670 4.414 4.290 4.503 . 0 0 "[ . 1 . 2]" 1
75 1 7 PHE H 1 9 ASN H 5.180 . 5.180 4.031 3.913 4.138 . 0 0 "[ . 1 . 2]" 1
76 1 7 PHE H 1 10 LEU MD1 5.500 . 5.500 4.211 4.040 4.405 . 0 0 "[ . 1 . 2]" 1
77 1 7 PHE H 1 10 LEU MD2 4.790 . 4.790 4.815 4.637 4.882 0.092 4 0 "[ . 1 . 2]" 1
78 1 7 PHE H 1 10 LEU HG 5.160 . 5.160 4.158 3.968 4.290 . 0 0 "[ . 1 . 2]" 1
79 1 7 PHE HA 1 7 PHE QD 3.090 . 3.090 3.028 2.954 3.078 . 0 0 "[ . 1 . 2]" 1
80 1 7 PHE HA 1 7 PHE QE 4.870 . 4.870 4.872 4.838 4.903 0.033 3 0 "[ . 1 . 2]" 1
81 1 7 PHE HA 1 8 ALA H 3.560 . 3.560 3.520 3.487 3.543 . 0 0 "[ . 1 . 2]" 1
82 1 7 PHE HA 1 9 ASN H 4.920 . 4.920 3.828 3.672 4.013 . 0 0 "[ . 1 . 2]" 1
83 1 7 PHE HA 1 10 LEU H 4.140 . 4.140 3.438 3.361 3.529 . 0 0 "[ . 1 . 2]" 1
84 1 7 PHE HA 1 10 LEU MD1 2.980 . 2.980 2.083 1.991 2.280 . 0 0 "[ . 1 . 2]" 1
85 1 7 PHE HA 1 10 LEU MD2 3.530 . 3.530 3.409 3.168 3.522 . 0 0 "[ . 1 . 2]" 1
86 1 7 PHE HA 1 10 LEU HG 3.380 . 3.380 1.991 1.888 2.107 . 0 0 "[ . 1 . 2]" 1
87 1 7 PHE HA 1 15 GLN HE21 4.410 . 4.410 4.383 4.220 4.447 0.037 11 0 "[ . 1 . 2]" 1
88 1 7 PHE HB2 1 8 ALA H 4.020 . 4.020 4.007 3.963 4.040 0.020 11 0 "[ . 1 . 2]" 1
89 1 7 PHE HB2 1 10 LEU H 5.500 . 5.500 5.562 5.523 5.595 0.095 10 0 "[ . 1 . 2]" 1
90 1 7 PHE HB2 1 10 LEU MD1 4.560 . 4.560 3.288 3.101 3.510 . 0 0 "[ . 1 . 2]" 1
91 1 7 PHE HB2 1 15 GLN HE21 5.500 . 5.500 5.494 5.393 5.535 0.035 4 0 "[ . 1 . 2]" 1
92 1 7 PHE HB3 1 8 ALA H 3.490 . 3.490 2.726 2.666 2.793 . 0 0 "[ . 1 . 2]" 1
93 1 7 PHE HB3 1 10 LEU H 5.500 . 5.500 5.514 5.498 5.540 0.040 10 0 "[ . 1 . 2]" 1
94 1 7 PHE HB3 1 10 LEU MD1 4.610 . 4.610 4.362 4.168 4.609 . 0 0 "[ . 1 . 2]" 1
95 1 7 PHE QD 1 8 ALA H 3.650 . 3.650 3.071 2.969 3.158 . 0 0 "[ . 1 . 2]" 1
96 1 7 PHE QD 1 8 ALA HA 3.580 . 3.580 3.144 2.950 3.244 . 0 0 "[ . 1 . 2]" 1
97 1 7 PHE QD 1 8 ALA MB 3.830 . 3.830 3.190 3.055 3.307 . 0 0 "[ . 1 . 2]" 1
98 1 7 PHE QD 1 10 LEU MD1 4.130 . 4.130 2.625 2.315 2.869 . 0 0 "[ . 1 . 2]" 1
99 1 7 PHE QD 1 15 GLN HA 4.160 . 4.160 3.995 3.714 4.182 0.022 5 0 "[ . 1 . 2]" 1
100 1 7 PHE QD 1 15 GLN HE22 4.600 . 4.600 3.145 3.014 3.214 . 0 0 "[ . 1 . 2]" 1
101 1 7 PHE QD 1 18 LEU HB2 4.140 . 4.140 3.262 2.806 3.672 . 0 0 "[ . 1 . 2]" 1
102 1 7 PHE QD 1 18 LEU HB3 4.050 . 4.050 3.399 3.065 3.812 . 0 0 "[ . 1 . 2]" 1
103 1 7 PHE QD 1 18 LEU MD1 3.330 . 3.330 2.066 1.703 2.574 . 0 0 "[ . 1 . 2]" 1
104 1 7 PHE QD 1 18 LEU MD2 4.840 . 4.840 4.315 3.980 4.783 . 0 0 "[ . 1 . 2]" 1
105 1 7 PHE QD 1 19 MET ME 3.660 . 3.660 3.627 3.382 3.692 0.032 1 0 "[ . 1 . 2]" 1
106 1 7 PHE QD 1 19 MET HG2 4.610 . 4.610 4.533 4.436 4.643 0.033 11 0 "[ . 1 . 2]" 1
107 1 7 PHE QD 1 19 MET HG3 5.500 . 5.500 5.506 5.354 5.554 0.054 18 0 "[ . 1 . 2]" 1
108 1 7 PHE QE 1 8 ALA HA 4.030 . 4.030 4.068 4.035 4.101 0.071 9 0 "[ . 1 . 2]" 1
109 1 7 PHE QE 1 10 LEU MD1 4.240 . 4.240 3.986 3.506 4.269 0.029 19 0 "[ . 1 . 2]" 1
110 1 7 PHE QE 1 15 GLN H 5.500 . 5.500 5.107 4.900 5.265 . 0 0 "[ . 1 . 2]" 1
111 1 7 PHE QE 1 15 GLN HA 3.200 . 3.200 2.472 2.229 2.706 . 0 0 "[ . 1 . 2]" 1
112 1 7 PHE QE 1 15 GLN HB3 3.770 . 3.770 3.727 3.365 3.803 0.033 15 0 "[ . 1 . 2]" 1
113 1 7 PHE QE 1 16 GLN H 5.500 . 5.500 5.434 5.186 5.529 0.029 17 0 "[ . 1 . 2]" 1
114 1 7 PHE QE 1 18 LEU H 4.490 . 4.490 4.007 3.524 4.219 . 0 0 "[ . 1 . 2]" 1
115 1 7 PHE QE 1 18 LEU HB2 3.400 . 3.400 2.175 1.540 2.417 . 0 0 "[ . 1 . 2]" 1
116 1 7 PHE QE 1 18 LEU HB3 3.570 . 3.570 3.124 2.541 3.334 . 0 0 "[ . 1 . 2]" 1
117 1 7 PHE QE 1 18 LEU MD1 3.220 . 3.220 2.933 2.511 3.191 . 0 0 "[ . 1 . 2]" 1
118 1 7 PHE QE 1 18 LEU MD2 4.950 . 4.950 4.696 4.193 4.911 . 0 0 "[ . 1 . 2]" 1
119 1 7 PHE QE 1 19 MET H 4.140 . 4.140 3.153 2.932 3.288 . 0 0 "[ . 1 . 2]" 1
120 1 7 PHE QE 1 19 MET HA 4.470 . 4.470 4.450 4.356 4.501 0.031 13 0 "[ . 1 . 2]" 1
121 1 7 PHE QE 1 19 MET HB2 4.720 . 4.720 4.562 4.493 4.682 . 0 0 "[ . 1 . 2]" 1
122 1 7 PHE QE 1 19 MET HB3 5.200 . 5.200 5.099 5.021 5.246 0.046 12 0 "[ . 1 . 2]" 1
123 1 7 PHE QE 1 19 MET ME 5.500 . 5.500 2.712 2.586 2.861 . 0 0 "[ . 1 . 2]" 1
124 1 7 PHE QE 1 19 MET HG2 3.720 . 3.720 2.344 2.191 2.765 . 0 0 "[ . 1 . 2]" 1
125 1 7 PHE QE 1 19 MET HG3 3.480 . 3.480 3.482 3.409 3.527 0.047 3 0 "[ . 1 . 2]" 1
126 1 8 ALA H 1 8 ALA MB 2.690 . 2.690 2.233 2.214 2.268 . 0 0 "[ . 1 . 2]" 1
127 1 8 ALA H 1 9 ASN H 3.600 . 3.600 2.619 2.539 2.720 . 0 0 "[ . 1 . 2]" 1
128 1 8 ALA H 1 9 ASN HB2 5.180 . 5.180 4.731 4.553 4.916 . 0 0 "[ . 1 . 2]" 1
129 1 8 ALA H 1 10 LEU H 4.580 . 4.580 4.082 4.022 4.166 . 0 0 "[ . 1 . 2]" 1
130 1 8 ALA H 1 10 LEU MD1 5.500 . 5.500 4.969 4.837 5.177 . 0 0 "[ . 1 . 2]" 1
131 1 8 ALA H 1 10 LEU MD2 5.500 . 5.500 5.515 5.440 5.557 0.057 11 0 "[ . 1 . 2]" 1
132 1 8 ALA HA 1 9 ASN HD21 5.490 . 5.490 5.386 5.229 5.511 0.021 4 0 "[ . 1 . 2]" 1
133 1 8 ALA HA 1 10 LEU H 4.180 . 4.180 3.795 3.619 4.013 . 0 0 "[ . 1 . 2]" 1
134 1 8 ALA HA 1 15 GLN HE22 3.910 . 3.910 3.761 3.495 3.887 . 0 0 "[ . 1 . 2]" 1
135 1 8 ALA MB 1 9 ASN H 3.590 . 3.590 3.015 2.855 3.146 . 0 0 "[ . 1 . 2]" 1
136 1 8 ALA MB 1 9 ASN HD21 4.920 . 4.920 3.340 3.113 3.550 . 0 0 "[ . 1 . 2]" 1
137 1 8 ALA MB 1 9 ASN HD22 4.430 . 4.430 3.854 3.548 4.051 . 0 0 "[ . 1 . 2]" 1
138 1 8 ALA MB 1 10 LEU H 4.460 . 4.460 4.441 4.370 4.489 0.029 12 0 "[ . 1 . 2]" 1
139 1 8 ALA MB 1 15 GLN HE22 5.120 . 5.120 5.057 4.837 5.136 0.016 18 0 "[ . 1 . 2]" 1
140 1 9 ASN H 1 9 ASN HB2 3.490 . 3.490 2.409 2.362 2.498 . 0 0 "[ . 1 . 2]" 1
141 1 9 ASN H 1 9 ASN HB3 3.740 . 3.740 3.635 3.596 3.696 . 0 0 "[ . 1 . 2]" 1
142 1 9 ASN H 1 10 LEU H 3.270 . 3.270 2.294 2.189 2.427 . 0 0 "[ . 1 . 2]" 1
143 1 9 ASN H 1 10 LEU HA 5.470 . 5.470 4.785 4.629 4.958 . 0 0 "[ . 1 . 2]" 1
144 1 9 ASN H 1 10 LEU HB2 4.940 . 4.940 4.591 4.439 4.825 . 0 0 "[ . 1 . 2]" 1
145 1 9 ASN H 1 10 LEU MD1 5.170 . 5.170 4.746 4.652 4.975 . 0 0 "[ . 1 . 2]" 1
146 1 9 ASN H 1 10 LEU MD2 5.140 . 5.140 4.181 3.916 4.420 . 0 0 "[ . 1 . 2]" 1
147 1 9 ASN H 1 10 LEU HG 4.830 . 4.830 3.416 3.270 3.647 . 0 0 "[ . 1 . 2]" 1
148 1 9 ASN HA 1 10 LEU H 3.550 . 3.550 3.340 3.254 3.427 . 0 0 "[ . 1 . 2]" 1
149 1 9 ASN HB2 1 9 ASN HD22 3.590 . 3.590 3.487 3.465 3.514 . 0 0 "[ . 1 . 2]" 1
150 1 9 ASN HB2 1 10 LEU H 4.200 . 4.200 3.497 3.262 3.693 . 0 0 "[ . 1 . 2]" 1
151 1 9 ASN HB3 1 10 LEU H 4.270 . 4.270 4.110 3.961 4.286 0.016 13 0 "[ . 1 . 2]" 1
152 1 10 LEU H 1 10 LEU HB2 2.810 . 2.810 2.498 2.441 2.559 . 0 0 "[ . 1 . 2]" 1
153 1 10 LEU H 1 10 LEU HB3 3.620 . 3.620 3.561 3.519 3.606 . 0 0 "[ . 1 . 2]" 1
154 1 10 LEU H 1 10 LEU MD1 3.720 . 3.720 3.617 3.506 3.731 0.011 13 0 "[ . 1 . 2]" 1
155 1 10 LEU H 1 10 LEU MD2 3.740 . 3.740 3.111 2.942 3.316 . 0 0 "[ . 1 . 2]" 1
156 1 10 LEU H 1 10 LEU HG 3.010 . 3.010 2.219 2.019 2.468 . 0 0 "[ . 1 . 2]" 1
157 1 10 LEU H 1 11 PRO HD2 4.930 . 4.930 4.707 4.652 4.775 . 0 0 "[ . 1 . 2]" 1
158 1 10 LEU H 1 11 PRO HD3 5.080 . 5.080 5.095 5.020 5.117 0.037 13 0 "[ . 1 . 2]" 1
159 1 10 LEU H 1 15 GLN HE21 4.770 . 4.770 4.392 4.230 4.574 . 0 0 "[ . 1 . 2]" 1
160 1 10 LEU H 1 15 GLN HE22 4.210 . 4.210 3.411 3.197 3.644 . 0 0 "[ . 1 . 2]" 1
161 1 10 LEU HA 1 10 LEU MD1 3.870 . 3.870 3.777 3.744 3.843 . 0 0 "[ . 1 . 2]" 1
162 1 10 LEU HA 1 10 LEU MD2 2.610 . 2.610 2.047 1.976 2.084 . 0 0 "[ . 1 . 2]" 1
163 1 10 LEU HA 1 10 LEU HG 3.640 . 3.640 3.228 3.157 3.306 . 0 0 "[ . 1 . 2]" 1
164 1 10 LEU HA 1 11 PRO HD2 3.040 . 3.040 2.259 2.204 2.330 . 0 0 "[ . 1 . 2]" 1
165 1 10 LEU HA 1 11 PRO HD3 3.410 . 3.410 2.360 2.288 2.403 . 0 0 "[ . 1 . 2]" 1
166 1 10 LEU HA 1 14 LYS HB3 4.560 . 4.560 4.630 4.579 4.670 0.110 15 0 "[ . 1 . 2]" 1
167 1 10 LEU HB2 1 10 LEU MD1 2.720 . 2.720 2.296 2.253 2.331 . 0 0 "[ . 1 . 2]" 1
168 1 10 LEU HB2 1 10 LEU MD2 3.180 . 3.180 3.190 3.181 3.197 0.017 8 0 "[ . 1 . 2]" 1
169 1 10 LEU HB2 1 14 LYS HB3 3.560 . 3.560 3.070 2.899 3.204 . 0 0 "[ . 1 . 2]" 1
170 1 10 LEU HB2 1 15 GLN HE21 2.890 . 2.890 2.259 2.146 2.337 . 0 0 "[ . 1 . 2]" 1
171 1 10 LEU HB2 1 15 GLN HE22 4.590 . 4.590 2.209 2.110 2.304 . 0 0 "[ . 1 . 2]" 1
172 1 10 LEU HB3 1 10 LEU MD1 2.920 . 2.920 2.282 2.238 2.337 . 0 0 "[ . 1 . 2]" 1
173 1 10 LEU HB3 1 10 LEU MD2 2.930 . 2.930 2.415 2.365 2.486 . 0 0 "[ . 1 . 2]" 1
174 1 10 LEU HB3 1 11 PRO HD2 3.120 . 3.120 1.997 1.960 2.061 . 0 0 "[ . 1 . 2]" 1
175 1 10 LEU HB3 1 11 PRO HD3 3.480 . 3.480 3.496 3.439 3.528 0.048 9 0 "[ . 1 . 2]" 1
176 1 10 LEU HB3 1 14 LYS H 5.190 . 5.190 4.530 4.385 4.666 . 0 0 "[ . 1 . 2]" 1
177 1 10 LEU HB3 1 14 LYS HB3 3.400 . 3.400 2.285 2.202 2.331 . 0 0 "[ . 1 . 2]" 1
178 1 10 LEU HB3 1 15 GLN H 4.770 . 4.770 4.554 4.390 4.710 . 0 0 "[ . 1 . 2]" 1
179 1 10 LEU HB3 1 15 GLN HE21 4.390 . 4.390 3.323 3.171 3.487 . 0 0 "[ . 1 . 2]" 1
180 1 10 LEU HB3 1 15 GLN HE22 5.270 . 5.270 3.849 3.749 3.985 . 0 0 "[ . 1 . 2]" 1
181 1 10 LEU HB3 1 15 GLN HG2 5.120 . 5.120 4.368 4.119 4.627 . 0 0 "[ . 1 . 2]" 1
182 1 10 LEU MD1 1 11 PRO HD2 3.830 . 3.830 3.709 3.547 3.839 0.009 5 0 "[ . 1 . 2]" 1
183 1 10 LEU MD1 1 14 LYS HB3 3.750 . 3.750 2.383 2.181 2.591 . 0 0 "[ . 1 . 2]" 1
184 1 10 LEU MD1 1 14 LYS HE2 5.250 . 5.250 3.842 3.301 4.698 . 0 0 "[ . 1 . 2]" 1
185 1 10 LEU MD1 1 14 LYS QE 4.460 . 4.460 3.571 3.166 4.043 . 0 0 "[ . 1 . 2]" 1
186 1 10 LEU MD1 1 14 LYS HE3 5.250 . 5.250 4.330 4.043 4.837 . 0 0 "[ . 1 . 2]" 1
187 1 10 LEU MD1 1 15 GLN H 5.240 . 5.240 4.814 4.548 4.958 . 0 0 "[ . 1 . 2]" 1
188 1 10 LEU MD1 1 15 GLN HA 4.210 . 4.210 4.107 3.697 4.255 0.045 1 0 "[ . 1 . 2]" 1
189 1 10 LEU MD1 1 15 GLN HE21 3.640 . 3.640 2.864 2.400 3.066 . 0 0 "[ . 1 . 2]" 1
190 1 10 LEU MD1 1 18 LEU H 5.500 . 5.500 5.219 5.088 5.367 . 0 0 "[ . 1 . 2]" 1
191 1 10 LEU MD2 1 11 PRO HD2 3.620 . 3.620 2.800 2.485 3.036 . 0 0 "[ . 1 . 2]" 1
192 1 10 LEU MD2 1 11 PRO HD3 3.540 . 3.540 3.497 3.310 3.583 0.043 12 0 "[ . 1 . 2]" 1
193 1 10 LEU MD2 1 14 LYS QE 4.280 . 4.280 3.832 3.124 4.334 0.054 11 0 "[ . 1 . 2]" 1
194 1 10 LEU HG 1 15 GLN HE21 4.950 . 4.950 4.280 4.046 4.411 . 0 0 "[ . 1 . 2]" 1
195 1 11 PRO HA 1 12 LEU H 2.860 . 2.860 2.340 2.275 2.393 . 0 0 "[ . 1 . 2]" 1
196 1 11 PRO HA 1 12 LEU QB 4.530 . 4.530 4.144 4.090 4.193 . 0 0 "[ . 1 . 2]" 1
197 1 11 PRO HA 1 13 TRP H 4.790 . 4.790 4.537 4.436 4.648 . 0 0 "[ . 1 . 2]" 1
198 1 11 PRO HA 1 13 TRP HE1 5.430 . 5.430 5.464 5.435 5.506 0.076 18 0 "[ . 1 . 2]" 1
199 1 11 PRO HA 1 14 LYS H 5.010 . 5.010 4.651 4.617 4.690 . 0 0 "[ . 1 . 2]" 1
200 1 11 PRO HA 1 15 GLN H 5.500 . 5.500 5.386 5.279 5.529 0.029 2 0 "[ . 1 . 2]" 1
201 1 11 PRO HB2 1 12 LEU H 4.330 . 4.330 2.796 2.664 2.926 . 0 0 "[ . 1 . 2]" 1
202 1 11 PRO HB2 1 13 TRP H 3.740 . 3.740 2.878 2.770 2.985 . 0 0 "[ . 1 . 2]" 1
203 1 11 PRO HB2 1 13 TRP HD1 3.280 . 3.280 2.508 2.422 2.577 . 0 0 "[ . 1 . 2]" 1
204 1 11 PRO HB2 1 13 TRP HE1 3.670 . 3.670 2.970 2.924 3.085 . 0 0 "[ . 1 . 2]" 1
205 1 11 PRO HB2 1 14 LYS H 3.960 . 3.960 3.097 3.030 3.162 . 0 0 "[ . 1 . 2]" 1
206 1 11 PRO HB2 1 14 LYS HB2 3.900 . 3.900 3.677 3.365 3.836 . 0 0 "[ . 1 . 2]" 1
207 1 11 PRO HB2 1 15 GLN H 5.230 . 5.230 4.959 4.891 5.042 . 0 0 "[ . 1 . 2]" 1
208 1 11 PRO HB3 1 12 LEU H 4.140 . 4.140 3.386 3.300 3.501 . 0 0 "[ . 1 . 2]" 1
209 1 11 PRO HB3 1 13 TRP H 4.900 . 4.900 4.479 4.413 4.585 . 0 0 "[ . 1 . 2]" 1
210 1 11 PRO HB3 1 13 TRP HD1 3.770 . 3.770 3.756 3.688 3.785 0.015 3 0 "[ . 1 . 2]" 1
211 1 11 PRO HB3 1 13 TRP HE1 3.700 . 3.700 3.491 3.435 3.556 . 0 0 "[ . 1 . 2]" 1
212 1 11 PRO HB3 1 14 LYS H 4.700 . 4.700 4.691 4.631 4.742 0.042 10 0 "[ . 1 . 2]" 1
213 1 11 PRO HD2 1 14 LYS H 5.010 . 5.010 4.386 4.213 4.572 . 0 0 "[ . 1 . 2]" 1
214 1 11 PRO HD2 1 14 LYS HB2 3.720 . 3.720 2.569 2.423 2.766 . 0 0 "[ . 1 . 2]" 1
215 1 11 PRO HD2 1 14 LYS HB3 3.450 . 3.450 3.408 3.282 3.466 0.016 1 0 "[ . 1 . 2]" 1
216 1 11 PRO HD2 1 14 LYS HD2 4.550 . 4.550 2.800 1.902 3.670 . 0 0 "[ . 1 . 2]" 1
217 1 11 PRO HD2 1 14 LYS HG3 4.760 . 4.760 2.891 2.626 3.111 . 0 0 "[ . 1 . 2]" 1
218 1 11 PRO HD2 1 15 GLN H 5.370 . 5.370 5.327 5.166 5.385 0.015 2 0 "[ . 1 . 2]" 1
219 1 11 PRO HD3 1 13 TRP HE1 5.110 . 5.110 4.962 4.747 5.108 . 0 0 "[ . 1 . 2]" 1
220 1 11 PRO QG 1 12 LEU H 5.000 . 5.000 4.355 4.260 4.437 . 0 0 "[ . 1 . 2]" 1
221 1 11 PRO QG 1 13 TRP HD1 4.000 . 4.000 3.631 3.436 3.741 . 0 0 "[ . 1 . 2]" 1
222 1 11 PRO QG 1 13 TRP HH2 5.170 . 5.170 4.746 4.654 4.848 . 0 0 "[ . 1 . 2]" 1
223 1 11 PRO QG 1 13 TRP HZ2 3.800 . 3.800 3.278 3.226 3.335 . 0 0 "[ . 1 . 2]" 1
224 1 11 PRO QG 1 14 LYS H 3.920 . 3.920 2.921 2.770 3.128 . 0 0 "[ . 1 . 2]" 1
225 1 11 PRO QG 1 14 LYS HB2 3.830 . 3.830 2.198 1.919 2.400 . 0 0 "[ . 1 . 2]" 1
226 1 11 PRO HG2 1 13 TRP HE1 3.880 . 3.880 2.966 2.717 3.145 . 0 0 "[ . 1 . 2]" 1
227 1 11 PRO HG2 1 13 TRP HZ2 4.340 . 4.340 3.680 3.513 3.802 . 0 0 "[ . 1 . 2]" 1
228 1 11 PRO HG3 1 13 TRP HE1 3.880 . 3.880 2.664 2.436 2.825 . 0 0 "[ . 1 . 2]" 1
229 1 11 PRO HG3 1 13 TRP HZ2 4.340 . 4.340 3.687 3.578 3.861 . 0 0 "[ . 1 . 2]" 1
230 1 12 LEU H 1 12 LEU HB2 3.470 . 3.470 2.381 2.324 2.453 . 0 0 "[ . 1 . 2]" 1
231 1 12 LEU H 1 12 LEU QB 3.660 . 3.660 2.194 2.168 2.229 . 0 0 "[ . 1 . 2]" 1
232 1 12 LEU H 1 12 LEU HB3 3.580 . 3.580 2.573 2.524 2.609 . 0 0 "[ . 1 . 2]" 1
233 1 12 LEU H 1 12 LEU MD1 4.400 . 4.400 4.010 3.940 4.078 . 0 0 "[ . 1 . 2]" 1
234 1 12 LEU H 1 12 LEU MD2 4.330 . 4.330 4.228 4.192 4.273 . 0 0 "[ . 1 . 2]" 1
235 1 12 LEU H 1 12 LEU HG 4.630 . 4.630 4.512 4.496 4.537 . 0 0 "[ . 1 . 2]" 1
236 1 12 LEU H 1 13 TRP H 3.600 . 3.600 2.830 2.768 2.928 . 0 0 "[ . 1 . 2]" 1
237 1 12 LEU H 1 13 TRP HA 5.500 . 5.500 5.385 5.337 5.465 . 0 0 "[ . 1 . 2]" 1
238 1 12 LEU H 1 13 TRP HD1 4.650 . 4.650 4.202 4.076 4.338 . 0 0 "[ . 1 . 2]" 1
239 1 12 LEU H 1 14 LYS H 5.300 . 5.300 4.092 4.024 4.153 . 0 0 "[ . 1 . 2]" 1
240 1 12 LEU H 1 15 GLN H 5.500 . 5.500 4.783 4.705 4.904 . 0 0 "[ . 1 . 2]" 1
241 1 12 LEU H 1 15 GLN HG2 5.500 . 5.500 4.333 4.191 4.607 . 0 0 "[ . 1 . 2]" 1
242 1 12 LEU H 1 15 GLN HG3 5.500 . 5.500 4.867 4.647 5.206 . 0 0 "[ . 1 . 2]" 1
243 1 12 LEU HA 1 12 LEU MD1 3.000 . 3.000 2.037 1.963 2.097 . 0 0 "[ . 1 . 2]" 1
244 1 12 LEU HA 1 12 LEU MD2 3.840 . 3.840 3.850 3.828 3.863 0.023 10 0 "[ . 1 . 2]" 1
245 1 12 LEU HA 1 12 LEU HG 3.950 . 3.950 3.089 3.017 3.150 . 0 0 "[ . 1 . 2]" 1
246 1 12 LEU HA 1 14 LYS H 4.740 . 4.740 4.087 4.044 4.140 . 0 0 "[ . 1 . 2]" 1
247 1 12 LEU HA 1 15 GLN H 3.600 . 3.600 3.306 3.216 3.394 . 0 0 "[ . 1 . 2]" 1
248 1 12 LEU HA 1 15 GLN HB2 3.690 . 3.690 2.960 2.709 3.232 . 0 0 "[ . 1 . 2]" 1
249 1 12 LEU HA 1 15 GLN HG2 3.080 . 3.080 2.611 2.423 2.771 . 0 0 "[ . 1 . 2]" 1
250 1 12 LEU HA 1 15 GLN HG3 4.130 . 4.130 2.606 2.459 2.846 . 0 0 "[ . 1 . 2]" 1
251 1 12 LEU HA 1 16 GLN H 4.520 . 4.520 4.371 4.257 4.533 0.013 2 0 "[ . 1 . 2]" 1
252 1 12 LEU QB 1 12 LEU MD1 3.080 . 3.080 2.338 2.309 2.360 . 0 0 "[ . 1 . 2]" 1
253 1 12 LEU QB 1 12 LEU MD2 2.910 . 2.910 2.102 2.087 2.124 . 0 0 "[ . 1 . 2]" 1
254 1 12 LEU QB 1 13 TRP H 3.120 . 3.120 2.425 2.367 2.471 . 0 0 "[ . 1 . 2]" 1
255 1 12 LEU QB 1 13 TRP HB2 5.440 . 5.440 5.431 5.386 5.454 0.014 6 0 "[ . 1 . 2]" 1
256 1 12 LEU QB 1 16 GLN HE21 5.230 . 5.230 3.708 3.493 4.192 . 0 0 "[ . 1 . 2]" 1
257 1 12 LEU QB 1 16 GLN HE22 5.220 . 5.220 4.417 4.078 4.948 . 0 0 "[ . 1 . 2]" 1
258 1 12 LEU QB 1 16 GLN HG3 4.670 . 4.670 4.693 4.649 4.723 0.053 5 0 "[ . 1 . 2]" 1
259 1 12 LEU HB2 1 12 LEU MD1 3.580 . 3.580 2.403 2.369 2.429 . 0 0 "[ . 1 . 2]" 1
260 1 12 LEU HB2 1 13 TRP H 3.740 . 3.740 3.763 3.745 3.784 0.044 1 0 "[ . 1 . 2]" 1
261 1 12 LEU HB2 1 14 LYS H 5.500 . 5.500 5.539 5.523 5.563 0.063 5 0 "[ . 1 . 2]" 1
262 1 12 LEU HB3 1 13 TRP H 3.480 . 3.480 2.455 2.393 2.505 . 0 0 "[ . 1 . 2]" 1
263 1 12 LEU HB3 1 13 TRP HD1 4.490 . 4.490 4.458 4.312 4.511 0.021 12 0 "[ . 1 . 2]" 1
264 1 12 LEU HB3 1 14 LYS H 5.500 . 5.500 4.779 4.717 4.827 . 0 0 "[ . 1 . 2]" 1
265 1 12 LEU MD1 1 13 TRP H 4.630 . 4.630 4.473 4.401 4.542 . 0 0 "[ . 1 . 2]" 1
266 1 12 LEU MD1 1 14 LYS H 5.500 . 5.500 5.305 5.205 5.396 . 0 0 "[ . 1 . 2]" 1
267 1 12 LEU MD1 1 15 GLN H 4.620 . 4.620 4.303 4.161 4.437 . 0 0 "[ . 1 . 2]" 1
268 1 12 LEU MD1 1 15 GLN HG2 3.860 . 3.860 3.777 3.497 3.888 0.028 8 0 "[ . 1 . 2]" 1
269 1 12 LEU MD1 1 16 GLN H 4.390 . 4.390 4.280 4.124 4.409 0.019 2 0 "[ . 1 . 2]" 1
270 1 12 LEU MD1 1 16 GLN HE21 4.340 . 4.340 2.932 2.609 3.616 . 0 0 "[ . 1 . 2]" 1
271 1 12 LEU MD1 1 16 GLN HE22 4.660 . 4.660 4.055 3.737 4.457 . 0 0 "[ . 1 . 2]" 1
272 1 12 LEU MD1 1 16 GLN HG2 4.130 . 4.130 3.931 3.715 4.142 0.012 3 0 "[ . 1 . 2]" 1
273 1 12 LEU MD1 1 16 GLN HG3 3.870 . 3.870 3.451 3.183 3.722 . 0 0 "[ . 1 . 2]" 1
274 1 12 LEU MD2 1 13 TRP H 4.350 . 4.350 4.215 4.089 4.322 . 0 0 "[ . 1 . 2]" 1
275 1 12 LEU MD2 1 16 GLN HE21 3.870 . 3.870 2.992 2.794 3.545 . 0 0 "[ . 1 . 2]" 1
276 1 12 LEU MD2 1 16 GLN HE22 4.380 . 4.380 3.184 2.909 3.544 . 0 0 "[ . 1 . 2]" 1
277 1 12 LEU HG 1 13 TRP H 3.900 . 3.900 3.775 3.633 3.889 . 0 0 "[ . 1 . 2]" 1
278 1 12 LEU HG 1 16 GLN H 5.190 . 5.190 4.587 4.454 4.750 . 0 0 "[ . 1 . 2]" 1
279 1 12 LEU HG 1 16 GLN HE21 3.210 . 3.210 1.730 1.456 2.226 . 0 0 "[ . 1 . 2]" 1
280 1 12 LEU HG 1 16 GLN HE22 4.520 . 4.520 2.889 2.466 3.221 . 0 0 "[ . 1 . 2]" 1
281 1 12 LEU HG 1 16 GLN HG3 3.940 . 3.940 3.156 3.020 3.359 . 0 0 "[ . 1 . 2]" 1
282 1 13 TRP H 1 13 TRP HA 2.850 . 2.850 2.797 2.779 2.816 . 0 0 "[ . 1 . 2]" 1
283 1 13 TRP H 1 13 TRP HB2 3.620 . 3.620 3.638 3.623 3.651 0.031 18 0 "[ . 1 . 2]" 1
284 1 13 TRP H 1 13 TRP HB3 2.930 . 2.930 2.522 2.478 2.555 . 0 0 "[ . 1 . 2]" 1
285 1 13 TRP H 1 13 TRP HD1 2.870 . 2.870 2.655 2.608 2.710 . 0 0 "[ . 1 . 2]" 1
286 1 13 TRP H 1 13 TRP HE1 5.190 . 5.190 4.738 4.684 4.819 . 0 0 "[ . 1 . 2]" 1
287 1 13 TRP H 1 14 LYS H 3.370 . 3.370 2.678 2.630 2.751 . 0 0 "[ . 1 . 2]" 1
288 1 13 TRP H 1 14 LYS HA 5.480 . 5.480 5.287 5.250 5.332 . 0 0 "[ . 1 . 2]" 1
289 1 13 TRP H 1 14 LYS HB2 5.100 . 5.100 4.633 4.437 4.768 . 0 0 "[ . 1 . 2]" 1
290 1 13 TRP H 1 15 GLN H 4.280 . 4.280 4.083 4.032 4.193 . 0 0 "[ . 1 . 2]" 1
291 1 13 TRP HA 1 13 TRP HD1 4.750 . 4.750 4.561 4.531 4.590 . 0 0 "[ . 1 . 2]" 1
292 1 13 TRP HA 1 13 TRP HE3 4.090 . 4.090 4.104 4.086 4.123 0.033 8 0 "[ . 1 . 2]" 1
293 1 13 TRP HA 1 15 GLN H 4.350 . 4.350 4.140 4.075 4.189 . 0 0 "[ . 1 . 2]" 1
294 1 13 TRP HA 1 16 GLN H 3.610 . 3.610 3.436 3.372 3.494 . 0 0 "[ . 1 . 2]" 1
295 1 13 TRP HA 1 16 GLN HB3 5.100 . 5.100 4.559 4.418 4.827 . 0 0 "[ . 1 . 2]" 1
296 1 13 TRP HA 1 16 GLN HE22 5.500 . 5.500 3.719 3.165 4.408 . 0 0 "[ . 1 . 2]" 1
297 1 13 TRP HA 1 16 GLN HG3 4.600 . 4.600 3.057 2.843 3.424 . 0 0 "[ . 1 . 2]" 1
298 1 13 TRP HA 1 17 ALA H 4.190 . 4.190 4.025 3.878 4.115 . 0 0 "[ . 1 . 2]" 1
299 1 13 TRP HB2 1 13 TRP HD1 3.800 . 3.800 3.789 3.773 3.800 0.000 2 0 "[ . 1 . 2]" 1
300 1 13 TRP HB2 1 13 TRP HE3 3.340 . 3.340 2.580 2.531 2.633 . 0 0 "[ . 1 . 2]" 1
301 1 13 TRP HB2 1 14 LYS H 4.620 . 4.620 3.977 3.942 4.028 . 0 0 "[ . 1 . 2]" 1
302 1 13 TRP HB2 1 16 GLN H 5.500 . 5.500 5.322 5.256 5.365 . 0 0 "[ . 1 . 2]" 1
303 1 13 TRP HB3 1 13 TRP HD1 3.200 . 3.200 2.656 2.637 2.671 . 0 0 "[ . 1 . 2]" 1
304 1 13 TRP HB3 1 13 TRP HE1 4.990 . 4.990 4.793 4.764 4.816 . 0 0 "[ . 1 . 2]" 1
305 1 13 TRP HB3 1 14 LYS H 4.670 . 4.670 4.005 3.945 4.027 . 0 0 "[ . 1 . 2]" 1
306 1 13 TRP HD1 1 14 LYS H 4.140 . 4.140 3.899 3.826 3.963 . 0 0 "[ . 1 . 2]" 1
307 1 13 TRP HD1 1 14 LYS HB2 5.450 . 5.450 5.252 4.839 5.394 . 0 0 "[ . 1 . 2]" 1
308 1 13 TRP HE1 1 14 LYS HB2 5.080 . 5.080 4.928 4.422 5.099 0.019 1 0 "[ . 1 . 2]" 1
309 1 13 TRP HE1 1 14 LYS HG2 5.280 . 5.280 5.163 4.732 5.370 0.090 15 0 "[ . 1 . 2]" 1
310 1 13 TRP HE1 1 14 LYS HG3 5.120 . 5.120 4.103 3.844 4.309 . 0 0 "[ . 1 . 2]" 1
311 1 13 TRP HE3 1 14 LYS H 4.490 . 4.490 3.986 3.934 4.034 . 0 0 "[ . 1 . 2]" 1
312 1 13 TRP HE3 1 14 LYS HA 3.450 . 3.450 3.038 2.963 3.101 . 0 0 "[ . 1 . 2]" 1
313 1 13 TRP HE3 1 14 LYS HB2 5.230 . 5.230 5.012 4.769 5.082 . 0 0 "[ . 1 . 2]" 1
314 1 13 TRP HE3 1 14 LYS HB3 5.500 . 5.500 5.517 5.498 5.540 0.040 7 0 "[ . 1 . 2]" 1
315 1 13 TRP HE3 1 14 LYS HG3 4.750 . 4.750 4.508 4.132 4.829 0.079 11 0 "[ . 1 . 2]" 1
316 1 13 TRP HE3 1 15 GLN H 5.500 . 5.500 5.513 5.474 5.532 0.032 13 0 "[ . 1 . 2]" 1
317 1 13 TRP HE3 1 16 GLN H 5.500 . 5.500 5.528 5.499 5.561 0.061 10 0 "[ . 1 . 2]" 1
318 1 13 TRP HE3 1 17 ALA MB 3.590 . 3.590 2.639 2.504 2.799 . 0 0 "[ . 1 . 2]" 1
319 1 13 TRP HH2 1 14 LYS HD2 4.950 . 4.950 4.737 4.494 4.959 0.009 7 0 "[ . 1 . 2]" 1
320 1 13 TRP HH2 1 14 LYS QE 4.230 . 4.230 2.597 2.219 3.114 . 0 0 "[ . 1 . 2]" 1
321 1 13 TRP HH2 1 17 ALA MB 5.500 . 5.500 4.941 4.757 5.191 . 0 0 "[ . 1 . 2]" 1
322 1 13 TRP HZ2 1 14 LYS HB2 5.500 . 5.500 5.065 4.556 5.264 . 0 0 "[ . 1 . 2]" 1
323 1 13 TRP HZ2 1 14 LYS HD2 4.810 . 4.810 4.794 4.276 4.967 0.157 4 0 "[ . 1 . 2]" 1
324 1 13 TRP HZ2 1 14 LYS QE 4.300 . 4.300 3.697 3.030 4.323 0.023 2 0 "[ . 1 . 2]" 1
325 1 13 TRP HZ3 1 14 LYS HB3 5.500 . 5.500 5.569 5.552 5.583 0.083 2 0 "[ . 1 . 2]" 1
326 1 13 TRP HZ3 1 17 ALA MB 3.960 . 3.960 3.116 2.983 3.339 . 0 0 "[ . 1 . 2]" 1
327 1 14 LYS H 1 14 LYS HB2 3.620 . 3.620 2.199 2.104 2.251 . 0 0 "[ . 1 . 2]" 1
328 1 14 LYS H 1 14 LYS HG2 4.560 . 4.560 3.688 3.418 3.937 . 0 0 "[ . 1 . 2]" 1
329 1 14 LYS H 1 14 LYS HG3 4.790 . 4.790 3.508 3.173 3.959 . 0 0 "[ . 1 . 2]" 1
330 1 14 LYS H 1 15 GLN H 3.080 . 3.080 2.390 2.350 2.449 . 0 0 "[ . 1 . 2]" 1
331 1 14 LYS H 1 15 GLN HA 5.220 . 5.220 5.043 5.001 5.094 . 0 0 "[ . 1 . 2]" 1
332 1 14 LYS H 1 15 GLN HB2 4.930 . 4.930 4.712 4.654 4.819 . 0 0 "[ . 1 . 2]" 1
333 1 14 LYS H 1 16 GLN H 4.400 . 4.400 3.955 3.897 4.032 . 0 0 "[ . 1 . 2]" 1
334 1 14 LYS HA 1 14 LYS HD2 4.640 . 4.640 4.361 4.011 4.590 . 0 0 "[ . 1 . 2]" 1
335 1 14 LYS HA 1 14 LYS HG3 4.060 . 4.060 3.259 3.004 3.450 . 0 0 "[ . 1 . 2]" 1
336 1 14 LYS HA 1 15 GLN HE21 5.130 . 5.130 4.720 4.606 4.778 . 0 0 "[ . 1 . 2]" 1
337 1 14 LYS HA 1 16 GLN H 4.630 . 4.630 4.145 4.101 4.221 . 0 0 "[ . 1 . 2]" 1
338 1 14 LYS HA 1 17 ALA H 3.570 . 3.570 3.164 3.061 3.268 . 0 0 "[ . 1 . 2]" 1
339 1 14 LYS HA 1 17 ALA MB 2.810 . 2.810 2.268 2.156 2.375 . 0 0 "[ . 1 . 2]" 1
340 1 14 LYS HA 1 18 LEU H 4.180 . 4.180 3.735 3.536 3.818 . 0 0 "[ . 1 . 2]" 1
341 1 14 LYS HB2 1 15 GLN H 3.740 . 3.740 3.095 2.995 3.237 . 0 0 "[ . 1 . 2]" 1
342 1 14 LYS HB2 1 15 GLN HA 5.130 . 5.130 4.845 4.709 5.134 0.004 11 0 "[ . 1 . 2]" 1
343 1 14 LYS HB3 1 14 LYS QE 4.150 . 4.150 3.801 3.597 3.940 . 0 0 "[ . 1 . 2]" 1
344 1 14 LYS HB3 1 15 GLN H 3.440 . 3.440 3.407 3.229 3.473 0.033 2 0 "[ . 1 . 2]" 1
345 1 14 LYS HB3 1 15 GLN HA 4.050 . 4.050 4.052 4.024 4.075 0.025 14 0 "[ . 1 . 2]" 1
346 1 14 LYS HB3 1 15 GLN HE21 3.480 . 3.480 2.961 2.865 3.018 . 0 0 "[ . 1 . 2]" 1
347 1 14 LYS HB3 1 15 GLN HE22 4.260 . 4.260 4.246 4.101 4.305 0.045 5 0 "[ . 1 . 2]" 1
348 1 14 LYS HB3 1 16 GLN H 5.290 . 5.290 5.298 5.241 5.326 0.036 16 0 "[ . 1 . 2]" 1
349 1 14 LYS HB3 1 18 LEU MD1 4.180 . 4.180 3.035 2.698 3.281 . 0 0 "[ . 1 . 2]" 1
350 1 14 LYS QD 1 15 GLN HE21 4.470 . 4.470 4.406 4.166 4.502 0.032 10 0 "[ . 1 . 2]" 1
351 1 14 LYS HD2 1 15 GLN HE21 5.300 . 5.300 5.217 4.982 5.321 0.021 14 0 "[ . 1 . 2]" 1
352 1 14 LYS QE 1 14 LYS HG2 3.620 . 3.620 2.295 2.230 2.382 . 0 0 "[ . 1 . 2]" 1
353 1 14 LYS QE 1 14 LYS HG3 3.640 . 3.640 2.755 2.489 3.057 . 0 0 "[ . 1 . 2]" 1
354 1 14 LYS QE 1 17 ALA MB 4.930 . 4.930 4.220 3.585 4.715 . 0 0 "[ . 1 . 2]" 1
355 1 14 LYS QE 1 18 LEU MD1 4.230 . 4.230 3.716 2.889 4.243 0.013 4 0 "[ . 1 . 2]" 1
356 1 14 LYS QE 1 18 LEU MD2 4.160 . 4.160 3.770 2.620 4.160 . 0 0 "[ . 1 . 2]" 1
357 1 14 LYS QE 1 18 LEU HG 4.210 . 4.210 4.197 3.310 4.294 0.084 7 0 "[ . 1 . 2]" 1
358 1 14 LYS HE2 1 18 LEU MD1 4.850 . 4.850 3.922 2.956 4.675 . 0 0 "[ . 1 . 2]" 1
359 1 14 LYS HE3 1 18 LEU MD1 4.850 . 4.850 4.696 4.008 4.912 0.062 10 0 "[ . 1 . 2]" 1
360 1 14 LYS HG2 1 15 GLN H 5.020 . 5.020 4.896 4.780 5.025 0.005 2 0 "[ . 1 . 2]" 1
361 1 14 LYS HG2 1 17 ALA H 5.500 . 5.500 5.181 5.012 5.370 . 0 0 "[ . 1 . 2]" 1
362 1 14 LYS HG2 1 18 LEU H 5.500 . 5.500 5.388 5.167 5.561 0.061 13 0 "[ . 1 . 2]" 1
363 1 14 LYS HG3 1 15 GLN H 5.200 . 5.200 5.036 4.812 5.239 0.039 11 0 "[ . 1 . 2]" 1
364 1 15 GLN H 1 15 GLN HB2 2.990 . 2.990 2.596 2.554 2.630 . 0 0 "[ . 1 . 2]" 1
365 1 15 GLN H 1 15 GLN HE21 4.050 . 4.050 2.881 2.788 2.981 . 0 0 "[ . 1 . 2]" 1
366 1 15 GLN H 1 15 GLN HE22 4.670 . 4.670 4.518 4.423 4.615 . 0 0 "[ . 1 . 2]" 1
367 1 15 GLN H 1 15 GLN HG2 2.690 . 2.690 1.964 1.897 2.017 . 0 0 "[ . 1 . 2]" 1
368 1 15 GLN H 1 15 GLN HG3 3.470 . 3.470 3.445 3.379 3.487 0.017 13 0 "[ . 1 . 2]" 1
369 1 15 GLN H 1 16 GLN H 3.130 . 3.130 2.478 2.370 2.528 . 0 0 "[ . 1 . 2]" 1
370 1 15 GLN H 1 16 GLN HA 5.330 . 5.330 5.144 5.077 5.188 . 0 0 "[ . 1 . 2]" 1
371 1 15 GLN H 1 16 GLN HE21 5.500 . 5.500 5.287 4.731 5.575 0.075 2 0 "[ . 1 . 2]" 1
372 1 15 GLN H 1 16 GLN HG3 5.110 . 5.110 3.913 3.359 4.031 . 0 0 "[ . 1 . 2]" 1
373 1 15 GLN H 1 17 ALA H 4.170 . 4.170 3.928 3.849 4.047 . 0 0 "[ . 1 . 2]" 1
374 1 15 GLN H 1 18 LEU H 4.970 . 4.970 4.652 4.595 4.707 . 0 0 "[ . 1 . 2]" 1
375 1 15 GLN H 1 18 LEU HB2 5.360 . 5.360 5.217 5.141 5.283 . 0 0 "[ . 1 . 2]" 1
376 1 15 GLN H 1 18 LEU MD1 5.500 . 5.500 4.892 4.743 5.001 . 0 0 "[ . 1 . 2]" 1
377 1 15 GLN HA 1 15 GLN HE21 3.090 . 3.090 2.036 1.982 2.107 . 0 0 "[ . 1 . 2]" 1
378 1 15 GLN HA 1 15 GLN HG2 3.870 . 3.870 3.055 3.020 3.100 . 0 0 "[ . 1 . 2]" 1
379 1 15 GLN HA 1 15 GLN HG3 3.870 . 3.870 3.782 3.759 3.807 . 0 0 "[ . 1 . 2]" 1
380 1 15 GLN HA 1 17 ALA H 4.840 . 4.840 4.559 4.437 4.705 . 0 0 "[ . 1 . 2]" 1
381 1 15 GLN HA 1 18 LEU H 3.990 . 3.990 3.719 3.581 3.877 . 0 0 "[ . 1 . 2]" 1
382 1 15 GLN HA 1 18 LEU HB2 3.650 . 3.650 3.191 3.059 3.345 . 0 0 "[ . 1 . 2]" 1
383 1 15 GLN HA 1 18 LEU MD1 3.670 . 3.670 3.576 3.508 3.690 0.020 12 0 "[ . 1 . 2]" 1
384 1 15 GLN HA 1 18 LEU HG 5.260 . 5.260 4.483 4.235 4.691 . 0 0 "[ . 1 . 2]" 1
385 1 15 GLN HA 1 19 MET H 4.530 . 4.530 3.766 3.631 3.876 . 0 0 "[ . 1 . 2]" 1
386 1 15 GLN HB2 1 15 GLN HE21 3.960 . 3.960 3.950 3.911 3.973 0.013 4 0 "[ . 1 . 2]" 1
387 1 15 GLN HB2 1 15 GLN HE22 5.230 . 5.230 5.040 5.023 5.052 . 0 0 "[ . 1 . 2]" 1
388 1 15 GLN HB2 1 16 GLN H 3.440 . 3.440 2.520 2.445 2.607 . 0 0 "[ . 1 . 2]" 1
389 1 15 GLN HB2 1 16 GLN HE21 4.380 . 4.380 4.392 4.187 4.454 0.074 15 0 "[ . 1 . 2]" 1
390 1 15 GLN HB3 1 15 GLN HE21 3.520 . 3.520 3.544 3.524 3.561 0.041 15 0 "[ . 1 . 2]" 1
391 1 15 GLN HE21 1 18 LEU H 5.230 . 5.230 5.024 4.953 5.103 . 0 0 "[ . 1 . 2]" 1
392 1 15 GLN HE21 1 18 LEU HB2 4.160 . 4.160 4.209 4.177 4.251 0.091 17 0 "[ . 1 . 2]" 1
393 1 15 GLN HE21 1 18 LEU MD1 3.240 . 3.240 3.280 3.260 3.302 0.062 3 0 "[ . 1 . 2]" 1
394 1 15 GLN HE21 1 18 LEU HG 5.040 . 5.040 4.759 4.510 5.012 . 0 0 "[ . 1 . 2]" 1
395 1 15 GLN HE21 1 19 MET H 5.500 . 5.500 5.579 5.544 5.607 0.107 18 0 "[ . 1 . 2]" 1
396 1 15 GLN HG2 1 16 GLN H 4.120 . 4.120 3.926 3.827 3.992 . 0 0 "[ . 1 . 2]" 1
397 1 15 GLN HG3 1 16 GLN H 5.500 . 5.500 4.672 4.572 4.755 . 0 0 "[ . 1 . 2]" 1
398 1 16 GLN H 1 16 GLN HB2 2.930 . 2.930 2.548 2.476 2.630 . 0 0 "[ . 1 . 2]" 1
399 1 16 GLN H 1 16 GLN HB3 3.650 . 3.650 3.575 3.518 3.606 . 0 0 "[ . 1 . 2]" 1
400 1 16 GLN H 1 16 GLN HE21 5.070 . 5.070 4.037 3.436 4.356 . 0 0 "[ . 1 . 2]" 1
401 1 16 GLN H 1 16 GLN HG2 3.780 . 3.780 3.242 3.033 3.399 . 0 0 "[ . 1 . 2]" 1
402 1 16 GLN H 1 16 GLN HG3 3.320 . 3.320 2.022 1.682 2.114 . 0 0 "[ . 1 . 2]" 1
403 1 16 GLN H 1 17 ALA H 3.130 . 3.130 2.496 2.385 2.541 . 0 0 "[ . 1 . 2]" 1
404 1 16 GLN H 1 17 ALA HA 5.130 . 5.130 5.121 5.023 5.153 0.023 20 0 "[ . 1 . 2]" 1
405 1 16 GLN H 1 17 ALA MB 4.150 . 4.150 4.120 3.995 4.172 0.022 2 0 "[ . 1 . 2]" 1
406 1 16 GLN H 1 18 LEU H 4.410 . 4.410 3.986 3.873 4.078 . 0 0 "[ . 1 . 2]" 1
407 1 16 GLN H 1 18 LEU HB2 5.500 . 5.500 5.299 5.227 5.370 . 0 0 "[ . 1 . 2]" 1
408 1 16 GLN H 1 19 MET H 5.500 . 5.500 4.715 4.673 4.763 . 0 0 "[ . 1 . 2]" 1
409 1 16 GLN H 1 25 PHE QD 5.500 . 5.500 5.366 5.066 5.539 0.039 16 0 "[ . 1 . 2]" 1
410 1 16 GLN HA 1 16 GLN HG2 3.500 . 3.500 2.605 2.515 2.737 . 0 0 "[ . 1 . 2]" 1
411 1 16 GLN HA 1 16 GLN HG3 3.740 . 3.740 3.141 3.036 3.270 . 0 0 "[ . 1 . 2]" 1
412 1 16 GLN HA 1 18 LEU H 4.400 . 4.400 4.336 4.199 4.429 0.029 18 0 "[ . 1 . 2]" 1
413 1 16 GLN HA 1 19 MET H 3.850 . 3.850 3.813 3.676 3.884 0.034 11 0 "[ . 1 . 2]" 1
414 1 16 GLN HA 1 19 MET HB2 4.510 . 4.510 3.079 2.886 3.214 . 0 0 "[ . 1 . 2]" 1
415 1 16 GLN HA 1 19 MET HG2 5.050 . 5.050 4.614 4.415 4.714 . 0 0 "[ . 1 . 2]" 1
416 1 16 GLN HA 1 19 MET HG3 4.470 . 4.470 4.361 4.118 4.504 0.034 13 0 "[ . 1 . 2]" 1
417 1 16 GLN HA 1 20 LYS H 4.860 . 4.860 3.855 3.529 4.024 . 0 0 "[ . 1 . 2]" 1
418 1 16 GLN HB2 1 16 GLN HE21 4.690 . 4.690 3.926 2.871 4.394 . 0 0 "[ . 1 . 2]" 1
419 1 16 GLN HB2 1 16 GLN HE22 5.150 . 5.150 4.427 3.843 4.667 . 0 0 "[ . 1 . 2]" 1
420 1 16 GLN HB2 1 17 ALA H 3.590 . 3.590 2.404 2.273 2.552 . 0 0 "[ . 1 . 2]" 1
421 1 16 GLN HB2 1 20 LYS H 5.500 . 5.500 5.535 5.447 5.565 0.065 14 0 "[ . 1 . 2]" 1
422 1 16 GLN HB3 1 16 GLN HE22 5.340 . 5.340 4.680 4.402 4.777 . 0 0 "[ . 1 . 2]" 1
423 1 16 GLN HB3 1 17 ALA H 4.070 . 4.070 3.621 3.496 3.756 . 0 0 "[ . 1 . 2]" 1
424 1 16 GLN HB3 1 18 LEU H 5.500 . 5.500 5.526 5.429 5.571 0.071 19 0 "[ . 1 . 2]" 1
425 1 16 GLN HB3 1 25 PHE QD 4.320 . 4.320 3.694 2.928 4.190 . 0 0 "[ . 1 . 2]" 1
426 1 16 GLN HB3 1 25 PHE QE 4.630 . 4.630 4.031 2.986 4.596 . 0 0 "[ . 1 . 2]" 1
427 1 16 GLN HG2 1 17 ALA H 4.970 . 4.970 4.787 4.682 4.852 . 0 0 "[ . 1 . 2]" 1
428 1 16 GLN HG3 1 17 ALA H 4.920 . 4.920 3.907 3.653 3.981 . 0 0 "[ . 1 . 2]" 1
429 1 16 GLN HG3 1 17 ALA MB 5.230 . 5.230 5.275 5.087 5.320 0.090 19 0 "[ . 1 . 2]" 1
430 1 17 ALA H 1 17 ALA MB 2.750 . 2.750 2.182 2.149 2.219 . 0 0 "[ . 1 . 2]" 1
431 1 17 ALA H 1 18 LEU H 3.120 . 3.120 2.658 2.567 2.708 . 0 0 "[ . 1 . 2]" 1
432 1 17 ALA H 1 18 LEU HB2 4.760 . 4.760 4.783 4.754 4.795 0.035 10 0 "[ . 1 . 2]" 1
433 1 17 ALA H 1 18 LEU MD1 5.500 . 5.500 5.465 5.358 5.525 0.025 18 0 "[ . 1 . 2]" 1
434 1 17 ALA H 1 18 LEU MD2 5.480 . 5.480 5.410 5.176 5.514 0.034 4 0 "[ . 1 . 2]" 1
435 1 17 ALA H 1 18 LEU HG 4.740 . 4.740 4.619 4.513 4.710 . 0 0 "[ . 1 . 2]" 1
436 1 17 ALA H 1 19 MET H 4.630 . 4.630 4.330 4.238 4.428 . 0 0 "[ . 1 . 2]" 1
437 1 17 ALA H 1 20 LYS H 4.890 . 4.890 4.630 4.539 4.734 . 0 0 "[ . 1 . 2]" 1
438 1 17 ALA HA 1 20 LYS H 4.170 . 4.170 3.820 3.579 4.118 . 0 0 "[ . 1 . 2]" 1
439 1 17 ALA MB 1 18 LEU H 2.940 . 2.940 2.618 2.440 2.824 . 0 0 "[ . 1 . 2]" 1
440 1 17 ALA MB 1 19 MET H 5.500 . 5.500 4.680 4.544 4.795 . 0 0 "[ . 1 . 2]" 1
441 1 17 ALA MB 1 20 LYS H 5.330 . 5.330 4.729 4.540 4.978 . 0 0 "[ . 1 . 2]" 1
442 1 18 LEU H 1 18 LEU HB2 2.780 . 2.780 2.324 2.268 2.393 . 0 0 "[ . 1 . 2]" 1
443 1 18 LEU H 1 18 LEU HB3 3.640 . 3.640 3.586 3.553 3.622 . 0 0 "[ . 1 . 2]" 1
444 1 18 LEU H 1 18 LEU MD1 3.900 . 3.900 3.740 3.642 3.843 . 0 0 "[ . 1 . 2]" 1
445 1 18 LEU H 1 18 LEU MD2 3.910 . 3.910 3.556 3.463 3.638 . 0 0 "[ . 1 . 2]" 1
446 1 18 LEU H 1 18 LEU HG 2.920 . 2.920 2.663 2.576 2.776 . 0 0 "[ . 1 . 2]" 1
447 1 18 LEU H 1 19 MET H 3.010 . 3.010 2.475 2.400 2.521 . 0 0 "[ . 1 . 2]" 1
448 1 18 LEU H 1 19 MET HG2 5.060 . 5.060 4.263 4.148 4.345 . 0 0 "[ . 1 . 2]" 1
449 1 18 LEU H 1 19 MET HG3 5.460 . 5.460 5.503 5.483 5.529 0.069 8 0 "[ . 1 . 2]" 1
450 1 18 LEU H 1 20 LYS H 4.260 . 4.260 3.662 3.451 3.877 . 0 0 "[ . 1 . 2]" 1
451 1 18 LEU HA 1 18 LEU MD2 2.690 . 2.690 1.902 1.878 1.936 . 0 0 "[ . 1 . 2]" 1
452 1 18 LEU HA 1 18 LEU HG 3.340 . 3.340 3.040 2.976 3.126 . 0 0 "[ . 1 . 2]" 1
453 1 18 LEU HA 1 21 GLU QG 4.480 . 4.480 2.979 2.000 4.363 . 0 0 "[ . 1 . 2]" 1
454 1 18 LEU HB2 1 18 LEU MD1 3.010 . 3.010 2.307 2.279 2.355 . 0 0 "[ . 1 . 2]" 1
455 1 18 LEU HB2 1 18 LEU MD2 3.460 . 3.460 3.179 3.170 3.193 . 0 0 "[ . 1 . 2]" 1
456 1 18 LEU HB2 1 19 MET H 3.440 . 3.440 2.525 2.433 2.579 . 0 0 "[ . 1 . 2]" 1
457 1 18 LEU HB2 1 19 MET HG3 5.060 . 5.060 4.913 4.734 5.060 . 0 0 "[ . 1 . 2]" 1
458 1 18 LEU HB2 1 21 GLU H 5.500 . 5.500 5.529 5.442 5.605 0.105 17 0 "[ . 1 . 2]" 1
459 1 18 LEU HB3 1 18 LEU MD1 2.940 . 2.940 2.314 2.259 2.371 . 0 0 "[ . 1 . 2]" 1
460 1 18 LEU HB3 1 18 LEU MD2 3.230 . 3.230 2.391 2.340 2.462 . 0 0 "[ . 1 . 2]" 1
461 1 18 LEU HB3 1 19 MET H 3.480 . 3.480 3.435 3.345 3.489 0.009 1 0 "[ . 1 . 2]" 1
462 1 18 LEU MD1 1 19 MET H 4.430 . 4.430 4.443 4.392 4.468 0.038 6 0 "[ . 1 . 2]" 1
463 1 18 LEU MD1 1 19 MET HG2 5.090 . 5.090 4.726 4.546 4.927 . 0 0 "[ . 1 . 2]" 1
464 1 18 LEU MD2 1 19 MET H 4.580 . 4.580 4.613 4.597 4.631 0.051 15 0 "[ . 1 . 2]" 1
465 1 18 LEU HG 1 19 MET H 4.630 . 4.630 4.452 4.381 4.511 . 0 0 "[ . 1 . 2]" 1
466 1 19 MET H 1 19 MET HB3 3.670 . 3.670 3.587 3.562 3.603 . 0 0 "[ . 1 . 2]" 1
467 1 19 MET H 1 19 MET ME 4.280 . 4.280 3.304 3.171 4.000 . 0 0 "[ . 1 . 2]" 1
468 1 19 MET H 1 19 MET HG2 3.510 . 3.510 2.135 2.080 2.198 . 0 0 "[ . 1 . 2]" 1
469 1 19 MET H 1 19 MET HG3 3.340 . 3.340 3.408 3.376 3.438 0.098 12 0 "[ . 1 . 2]" 1
470 1 19 MET H 1 20 LYS H 3.040 . 3.040 2.643 2.507 2.779 . 0 0 "[ . 1 . 2]" 1
471 1 19 MET H 1 21 GLU H 4.500 . 4.500 4.293 4.169 4.472 . 0 0 "[ . 1 . 2]" 1
472 1 19 MET H 1 24 LEU MD1 5.330 . 5.330 4.920 4.636 5.254 . 0 0 "[ . 1 . 2]" 1
473 1 19 MET H 1 24 LEU MD2 5.330 . 5.330 5.256 4.971 5.376 0.046 13 0 "[ . 1 . 2]" 1
474 1 19 MET HA 1 19 MET ME 4.630 . 4.630 1.665 1.523 3.437 . 0 0 "[ . 1 . 2]" 1
475 1 19 MET HA 1 19 MET HG2 3.970 . 3.970 2.803 2.593 2.841 . 0 0 "[ . 1 . 2]" 1
476 1 19 MET HA 1 19 MET HG3 3.890 . 3.890 3.757 3.587 3.799 . 0 0 "[ . 1 . 2]" 1
477 1 19 MET HA 1 21 GLU H 5.500 . 5.500 3.976 3.612 4.396 . 0 0 "[ . 1 . 2]" 1
478 1 19 MET HA 1 24 LEU HB2 4.800 . 4.800 3.701 3.313 3.974 . 0 0 "[ . 1 . 2]" 1
479 1 19 MET HA 1 24 LEU MD1 4.980 . 4.980 2.671 2.347 3.122 . 0 0 "[ . 1 . 2]" 1
480 1 19 MET HA 1 24 LEU QD 4.060 . 4.060 2.626 2.328 3.003 . 0 0 "[ . 1 . 2]" 1
481 1 19 MET HA 1 24 LEU MD2 4.980 . 4.980 3.917 3.640 4.224 . 0 0 "[ . 1 . 2]" 1
482 1 19 MET HB2 1 20 LYS H 3.890 . 3.890 2.987 2.845 3.067 . 0 0 "[ . 1 . 2]" 1
483 1 19 MET HB3 1 20 LYS H 4.050 . 4.050 3.919 3.690 3.989 . 0 0 "[ . 1 . 2]" 1
484 1 19 MET ME 1 19 MET HG2 3.310 . 3.310 2.396 2.286 2.435 . 0 0 "[ . 1 . 2]" 1
485 1 19 MET ME 1 20 LYS H 5.500 . 5.500 4.655 4.456 5.685 0.185 12 0 "[ . 1 . 2]" 1
486 1 19 MET ME 1 24 LEU QD 3.870 . 3.870 2.627 2.247 3.256 . 0 0 "[ . 1 . 2]" 1
487 1 19 MET HG2 1 20 LYS H 4.980 . 4.980 4.366 4.205 4.441 . 0 0 "[ . 1 . 2]" 1
488 1 19 MET HG2 1 24 LEU QD 4.410 . 4.410 3.672 3.523 3.887 . 0 0 "[ . 1 . 2]" 1
489 1 19 MET HG3 1 20 LYS H 5.060 . 5.060 5.083 4.963 5.119 0.059 4 0 "[ . 1 . 2]" 1
490 1 19 MET HG3 1 24 LEU QD 4.930 . 4.930 3.040 2.694 3.434 . 0 0 "[ . 1 . 2]" 1
491 1 20 LYS H 1 20 LYS QB 3.060 . 3.060 2.249 2.091 2.512 . 0 0 "[ . 1 . 2]" 1
492 1 20 LYS H 1 20 LYS QD 4.570 . 4.570 4.385 3.642 4.609 0.039 9 0 "[ . 1 . 2]" 1
493 1 20 LYS H 1 20 LYS HG2 4.540 . 4.540 4.195 2.619 4.560 0.020 15 0 "[ . 1 . 2]" 1
494 1 20 LYS H 1 20 LYS QG 3.990 . 3.990 3.714 2.562 4.007 0.017 15 0 "[ . 1 . 2]" 1
495 1 20 LYS H 1 20 LYS HG3 4.540 . 4.540 4.244 2.686 4.545 0.005 1 0 "[ . 1 . 2]" 1
496 1 20 LYS H 1 21 GLU H 3.130 . 3.130 2.755 2.559 2.922 . 0 0 "[ . 1 . 2]" 1
497 1 20 LYS HA 1 20 LYS QD 4.430 . 4.430 3.714 2.089 4.296 . 0 0 "[ . 1 . 2]" 1
498 1 20 LYS HA 1 23 GLY H 4.260 . 4.260 3.428 3.076 3.826 . 0 0 "[ . 1 . 2]" 1
499 1 20 LYS HA 1 24 LEU H 3.920 . 3.920 3.476 3.107 3.817 . 0 0 "[ . 1 . 2]" 1
500 1 20 LYS HA 1 24 LEU HB2 5.500 . 5.500 4.342 3.780 4.750 . 0 0 "[ . 1 . 2]" 1
501 1 20 LYS HA 1 25 PHE H 2.840 . 2.840 2.427 2.036 2.865 0.025 13 0 "[ . 1 . 2]" 1
502 1 20 LYS QB 1 23 GLY H 5.110 . 5.110 4.850 4.657 5.083 . 0 0 "[ . 1 . 2]" 1
503 1 20 LYS QB 1 24 LEU H 5.340 . 5.340 5.250 4.910 5.388 0.048 17 0 "[ . 1 . 2]" 1
504 1 21 GLU H 1 21 GLU QB 2.980 . 2.980 2.488 2.111 2.724 . 0 0 "[ . 1 . 2]" 1
505 1 21 GLU H 1 21 GLU HG2 4.140 . 4.140 2.785 1.961 4.157 0.017 18 0 "[ . 1 . 2]" 1
506 1 21 GLU H 1 21 GLU HG3 4.140 . 4.140 3.030 2.035 4.168 0.028 18 0 "[ . 1 . 2]" 1
507 1 21 GLU HA 1 21 GLU HG2 3.920 . 3.920 3.082 2.388 3.858 . 0 0 "[ . 1 . 2]" 1
508 1 21 GLU HA 1 21 GLU QG 3.370 . 3.370 2.828 2.309 3.354 . 0 0 "[ . 1 . 2]" 1
509 1 21 GLU HA 1 21 GLU HG3 3.920 . 3.920 3.459 2.442 3.810 . 0 0 "[ . 1 . 2]" 1
510 1 21 GLU QB 1 23 GLY H 4.930 . 4.930 4.626 4.359 4.939 0.009 13 0 "[ . 1 . 2]" 1
511 1 22 LYS H 1 22 LYS QB 3.300 . 3.300 2.356 2.089 2.521 . 0 0 "[ . 1 . 2]" 1
512 1 22 LYS H 1 22 LYS QG 3.910 . 3.910 3.200 2.490 3.984 0.074 19 0 "[ . 1 . 2]" 1
513 1 22 LYS H 1 23 GLY H 3.580 . 3.580 2.321 2.112 2.457 . 0 0 "[ . 1 . 2]" 1
514 1 22 LYS H 1 23 GLY QA 4.320 . 4.320 4.269 4.128 4.383 0.063 7 0 "[ . 1 . 2]" 1
515 1 22 LYS HA 1 22 LYS QD 3.920 . 3.920 3.071 1.857 4.057 0.137 17 0 "[ . 1 . 2]" 1
516 1 22 LYS HA 1 22 LYS QG 3.870 . 3.870 2.608 2.248 3.029 . 0 0 "[ . 1 . 2]" 1
517 1 22 LYS HA 1 23 GLY H 3.540 . 3.540 3.338 3.096 3.476 . 0 0 "[ . 1 . 2]" 1
518 1 22 LYS QB 1 23 GLY H 4.080 . 4.080 3.188 2.870 3.612 . 0 0 "[ . 1 . 2]" 1
519 1 22 LYS QB 1 24 LEU H 4.910 . 4.910 3.287 2.972 3.666 . 0 0 "[ . 1 . 2]" 1
520 1 22 LYS HB2 1 23 GLY H 4.670 . 4.670 3.704 3.035 4.125 . 0 0 "[ . 1 . 2]" 1
521 1 22 LYS HB3 1 23 GLY H 4.670 . 4.670 3.739 2.959 4.351 . 0 0 "[ . 1 . 2]" 1
522 1 23 GLY H 1 24 LEU H 3.750 . 3.750 2.345 2.081 2.687 . 0 0 "[ . 1 . 2]" 1
523 1 23 GLY QA 1 24 LEU H 3.070 . 3.070 2.891 2.790 2.955 . 0 0 "[ . 1 . 2]" 1
524 1 23 GLY QA 1 25 PHE H 4.860 . 4.860 4.060 3.481 4.492 . 0 0 "[ . 1 . 2]" 1
525 1 24 LEU H 1 24 LEU HB2 3.350 . 3.350 2.454 2.397 2.512 . 0 0 "[ . 1 . 2]" 1
526 1 24 LEU H 1 24 LEU HB3 3.890 . 3.890 3.651 3.617 3.691 . 0 0 "[ . 1 . 2]" 1
527 1 24 LEU H 1 24 LEU MD1 4.330 . 4.330 2.157 1.900 2.271 . 0 0 "[ . 1 . 2]" 1
528 1 24 LEU H 1 24 LEU MD2 4.330 . 4.330 4.123 4.041 4.243 . 0 0 "[ . 1 . 2]" 1
529 1 24 LEU H 1 24 LEU HG 3.700 . 3.700 3.708 3.510 3.746 0.046 8 0 "[ . 1 . 2]" 1
530 1 24 LEU H 1 25 PHE H 3.580 . 3.580 2.440 2.138 2.734 . 0 0 "[ . 1 . 2]" 1
531 1 24 LEU HA 1 24 LEU MD1 3.620 . 3.620 3.015 2.893 3.106 . 0 0 "[ . 1 . 2]" 1
532 1 24 LEU HA 1 24 LEU QD 3.000 . 3.000 2.882 2.791 2.945 . 0 0 "[ . 1 . 2]" 1
533 1 24 LEU HA 1 24 LEU MD2 3.620 . 3.620 3.667 3.635 3.693 0.073 14 0 "[ . 1 . 2]" 1
534 1 24 LEU HB2 1 25 PHE H 3.640 . 3.640 2.540 2.250 2.772 . 0 0 "[ . 1 . 2]" 1
535 1 24 LEU HB2 1 25 PHE QD 3.840 . 3.840 3.005 2.617 3.728 . 0 0 "[ . 1 . 2]" 1
536 1 24 LEU HB2 1 25 PHE QE 4.640 . 4.640 3.884 3.436 4.305 . 0 0 "[ . 1 . 2]" 1
537 1 24 LEU HB3 1 24 LEU MD1 3.670 . 3.670 3.196 3.182 3.207 . 0 0 "[ . 1 . 2]" 1
538 1 24 LEU HB3 1 24 LEU MD2 3.670 . 3.670 2.187 2.160 2.212 . 0 0 "[ . 1 . 2]" 1
539 1 24 LEU HB3 1 25 PHE H 4.490 . 4.490 3.401 3.100 3.635 . 0 0 "[ . 1 . 2]" 1
540 1 24 LEU QD 1 25 PHE H 4.100 . 4.100 3.668 3.521 3.791 . 0 0 "[ . 1 . 2]" 1
541 1 24 LEU QD 1 25 PHE QD 4.540 . 4.540 3.779 3.232 4.182 . 0 0 "[ . 1 . 2]" 1
542 1 24 LEU MD1 1 25 PHE H 4.690 . 4.690 3.858 3.714 4.025 . 0 0 "[ . 1 . 2]" 1
543 1 24 LEU MD2 1 25 PHE H 4.690 . 4.690 4.598 4.340 4.755 0.065 1 0 "[ . 1 . 2]" 1
544 1 25 PHE H 1 25 PHE QB 3.540 . 3.540 2.649 2.384 3.347 . 0 0 "[ . 1 . 2]" 1
545 1 25 PHE H 1 25 PHE QD 3.990 . 3.990 2.907 2.570 3.369 . 0 0 "[ . 1 . 2]" 1
546 1 25 PHE H 1 25 PHE QE 5.360 . 5.360 4.762 4.508 5.028 . 0 0 "[ . 1 . 2]" 1
547 1 25 PHE HA 1 25 PHE QD 3.790 . 3.790 3.034 2.421 3.785 . 0 0 "[ . 1 . 2]" 1
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