NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
621993 |
5lwc   |
34044 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5lwc
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 561
_Distance_constraint_stats_list.Viol_count 322
_Distance_constraint_stats_list.Viol_total 89.058
_Distance_constraint_stats_list.Viol_max 0.053
_Distance_constraint_stats_list.Viol_rms 0.0029
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0138
_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 ALA 0.002 0.001 14 0 "[ . 1 . 2]"
1 3 GLY 0.005 0.005 6 0 "[ . 1 . 2]"
1 4 LEU 0.081 0.023 20 0 "[ . 1 . 2]"
1 5 LEU 0.005 0.003 9 0 "[ . 1 . 2]"
1 6 ARG 0.060 0.016 9 0 "[ . 1 . 2]"
1 7 PHE 0.092 0.016 9 0 "[ . 1 . 2]"
1 8 LEU 0.212 0.019 11 0 "[ . 1 . 2]"
1 9 LEU 0.293 0.037 7 0 "[ . 1 . 2]"
1 10 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 LYS 0.221 0.037 7 0 "[ . 1 . 2]"
1 12 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ARG 0.187 0.022 16 0 "[ . 1 . 2]"
1 14 ALA 0.187 0.022 16 0 "[ . 1 . 2]"
1 15 LEU 0.473 0.023 4 0 "[ . 1 . 2]"
1 16 TYR 0.086 0.016 4 0 "[ . 1 . 2]"
1 17 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 TRP 0.084 0.014 19 0 "[ . 1 . 2]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LYS 0.006 0.006 4 0 "[ . 1 . 2]"
1 21 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 HIS 0.274 0.026 17 0 "[ . 1 . 2]"
1 23 VAL 0.274 0.026 17 0 "[ . 1 . 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LYS 0.057 0.019 18 0 "[ . 1 . 2]"
1 26 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 TRP 0.019 0.010 12 0 "[ . 1 . 2]"
1 28 GLU 0.275 0.043 16 0 "[ . 1 . 2]"
1 29 TRP 0.843 0.043 16 0 "[ . 1 . 2]"
1 30 LEU 0.054 0.013 9 0 "[ . 1 . 2]"
1 31 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ALA 0.015 0.006 17 0 "[ . 1 . 2]"
1 35 THR 0.044 0.013 4 0 "[ . 1 . 2]"
1 36 TYR 0.089 0.014 16 0 "[ . 1 . 2]"
1 37 GLU 0.010 0.008 12 0 "[ . 1 . 2]"
1 38 GLN 0.228 0.024 7 0 "[ . 1 . 2]"
1 39 ILE 0.369 0.027 4 0 "[ . 1 . 2]"
1 40 LYS 1.649 0.053 10 0 "[ . 1 . 2]"
1 41 GLU 0.554 0.031 5 0 "[ . 1 . 2]"
1 42 TRP 0.123 0.018 3 0 "[ . 1 . 2]"
1 43 ILE 0.103 0.020 17 0 "[ . 1 . 2]"
1 44 GLU 1.521 0.053 10 0 "[ . 1 . 2]"
1 45 ASN 0.014 0.014 6 0 "[ . 1 . 2]"
1 46 ALA 0.164 0.028 16 0 "[ . 1 . 2]"
1 47 LEU 0.223 0.028 16 0 "[ . 1 . 2]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ALA H 1 2 ALA MB 3.220 . 3.420 2.220 2.183 2.245 . 0 0 "[ . 1 . 2]" 1
2 1 2 ALA H 1 4 LEU HB3 5.500 . 5.700 5.133 4.891 5.353 . 0 0 "[ . 1 . 2]" 1
3 1 2 ALA H 1 5 LEU HB2 5.220 . 5.420 5.322 5.212 5.393 . 0 0 "[ . 1 . 2]" 1
4 1 2 ALA H 1 5 LEU HG 5.060 . 5.260 5.203 5.094 5.261 0.001 14 0 "[ . 1 . 2]" 1
5 1 2 ALA HA 1 5 LEU H 3.980 . 4.180 3.467 3.415 3.547 . 0 0 "[ . 1 . 2]" 1
6 1 2 ALA HA 1 5 LEU HB2 4.030 . 4.230 2.791 2.707 2.905 . 0 0 "[ . 1 . 2]" 1
7 1 2 ALA HA 1 5 LEU MD1 4.060 . 4.260 2.453 2.333 2.577 . 0 0 "[ . 1 . 2]" 1
8 1 2 ALA MB 1 3 GLY H 3.910 . 4.110 2.516 2.391 2.568 . 0 0 "[ . 1 . 2]" 1
9 1 3 GLY H 1 4 LEU H 3.690 . 3.890 2.658 2.600 2.713 . 0 0 "[ . 1 . 2]" 1
10 1 3 GLY H 1 5 LEU HB2 5.370 . 5.570 5.203 5.154 5.262 . 0 0 "[ . 1 . 2]" 1
11 1 3 GLY HA2 1 5 LEU H 4.770 . 4.970 4.487 4.426 4.551 . 0 0 "[ . 1 . 2]" 1
12 1 3 GLY HA2 1 6 ARG QB 4.380 . 4.580 2.708 2.598 3.016 . 0 0 "[ . 1 . 2]" 1
13 1 3 GLY HA2 1 6 ARG QD 4.550 . 4.750 4.146 3.645 4.755 0.005 6 0 "[ . 1 . 2]" 1
14 1 3 GLY HA3 1 6 ARG QB 4.790 . 4.990 4.141 4.038 4.615 . 0 0 "[ . 1 . 2]" 1
15 1 4 LEU H 1 4 LEU HB2 3.540 . 3.740 2.459 2.350 2.631 . 0 0 "[ . 1 . 2]" 1
16 1 4 LEU H 1 4 LEU HB3 3.330 . 3.530 2.453 2.352 2.531 . 0 0 "[ . 1 . 2]" 1
17 1 4 LEU H 1 5 LEU H 3.720 . 3.920 2.712 2.660 2.762 . 0 0 "[ . 1 . 2]" 1
18 1 4 LEU H 1 30 LEU QD 4.710 . 4.910 4.748 4.491 4.908 . 0 0 "[ . 1 . 2]" 1
19 1 4 LEU HA 1 4 LEU QD 3.130 . 3.330 2.088 2.008 2.389 . 0 0 "[ . 1 . 2]" 1
20 1 4 LEU HA 1 6 ARG H 5.030 . 5.230 4.541 4.508 4.578 . 0 0 "[ . 1 . 2]" 1
21 1 4 LEU HA 1 36 TYR HE1 4.560 . 4.760 4.365 4.106 4.760 . 0 0 "[ . 1 . 2]" 1
22 1 4 LEU HB2 1 5 LEU H 4.880 . 5.080 3.815 3.731 3.961 . 0 0 "[ . 1 . 2]" 1
23 1 4 LEU HB2 1 30 LEU MD1 4.550 . 4.750 3.583 2.911 4.269 . 0 0 "[ . 1 . 2]" 1
24 1 4 LEU HB2 1 30 LEU QD 3.860 . 4.060 3.132 2.841 3.332 . 0 0 "[ . 1 . 2]" 1
25 1 4 LEU HB2 1 30 LEU MD2 4.550 . 4.750 3.542 3.115 4.221 . 0 0 "[ . 1 . 2]" 1
26 1 4 LEU HB2 1 36 TYR HE1 4.080 . 4.280 3.692 3.500 3.907 . 0 0 "[ . 1 . 2]" 1
27 1 4 LEU HB3 1 30 LEU QD 4.690 . 4.890 3.649 3.389 3.899 . 0 0 "[ . 1 . 2]" 1
28 1 4 LEU HB3 1 36 TYR HE1 5.180 . 5.380 5.291 5.134 5.394 0.014 16 0 "[ . 1 . 2]" 1
29 1 4 LEU QD 1 5 LEU MD2 2.790 . 2.990 2.556 2.273 2.993 0.003 9 0 "[ . 1 . 2]" 1
30 1 4 LEU QD 1 5 LEU HG 3.860 . 4.060 2.919 2.472 3.550 . 0 0 "[ . 1 . 2]" 1
31 1 4 LEU QD 1 7 PHE HD1 4.280 . 4.480 3.511 3.148 4.267 . 0 0 "[ . 1 . 2]" 1
32 1 4 LEU QD 1 8 LEU H 4.930 . 5.130 3.544 3.071 4.513 . 0 0 "[ . 1 . 2]" 1
33 1 4 LEU QD 1 8 LEU QD 2.850 . 3.050 1.930 1.800 2.360 . 0 0 "[ . 1 . 2]" 1
34 1 4 LEU QD 1 8 LEU HG 3.560 . 3.760 2.693 2.144 3.596 . 0 0 "[ . 1 . 2]" 1
35 1 4 LEU QD 1 36 TYR HA 3.320 . 3.520 3.285 2.395 3.524 0.004 11 0 "[ . 1 . 2]" 1
36 1 4 LEU QD 1 36 TYR HD1 3.770 . 3.970 2.061 1.972 2.214 . 0 0 "[ . 1 . 2]" 1
37 1 4 LEU QD 1 36 TYR HE1 4.490 . 4.690 2.628 2.114 3.504 . 0 0 "[ . 1 . 2]" 1
38 1 4 LEU QD 1 39 ILE HB 4.280 . 4.480 4.142 3.117 4.442 . 0 0 "[ . 1 . 2]" 1
39 1 4 LEU QD 1 39 ILE MG 3.610 . 3.810 3.589 2.703 3.833 0.023 20 0 "[ . 1 . 2]" 1
40 1 4 LEU MD1 1 8 LEU MD1 3.980 . 4.180 2.110 1.864 3.034 . 0 0 "[ . 1 . 2]" 1
41 1 4 LEU MD1 1 8 LEU MD2 3.980 . 4.180 3.832 3.498 4.147 . 0 0 "[ . 1 . 2]" 1
42 1 4 LEU MD1 1 8 LEU HG 4.680 . 4.880 3.306 2.441 3.879 . 0 0 "[ . 1 . 2]" 1
43 1 4 LEU MD2 1 8 LEU MD1 3.980 . 4.180 2.535 2.262 2.804 . 0 0 "[ . 1 . 2]" 1
44 1 4 LEU MD2 1 8 LEU MD2 3.980 . 4.180 3.637 3.297 4.162 . 0 0 "[ . 1 . 2]" 1
45 1 4 LEU MD2 1 8 LEU HG 4.680 . 4.880 2.969 2.278 4.424 . 0 0 "[ . 1 . 2]" 1
46 1 5 LEU H 1 5 LEU HB2 3.590 . 3.790 2.404 2.378 2.450 . 0 0 "[ . 1 . 2]" 1
47 1 5 LEU H 1 5 LEU HB3 4.150 . 4.350 3.573 3.562 3.585 . 0 0 "[ . 1 . 2]" 1
48 1 5 LEU H 1 5 LEU MD1 4.850 . 5.050 3.480 3.422 3.516 . 0 0 "[ . 1 . 2]" 1
49 1 5 LEU H 1 5 LEU MD2 4.700 . 4.900 3.474 3.347 3.562 . 0 0 "[ . 1 . 2]" 1
50 1 5 LEU H 1 6 ARG H 4.070 . 4.270 2.690 2.656 2.728 . 0 0 "[ . 1 . 2]" 1
51 1 5 LEU H 1 8 LEU QD 5.430 . 5.630 4.323 3.847 4.804 . 0 0 "[ . 1 . 2]" 1
52 1 5 LEU HA 1 5 LEU MD2 2.950 . 3.150 2.120 2.082 2.168 . 0 0 "[ . 1 . 2]" 1
53 1 5 LEU HA 1 5 LEU HG 4.200 . 4.400 2.868 2.818 2.911 . 0 0 "[ . 1 . 2]" 1
54 1 5 LEU HA 1 8 LEU H 4.210 . 4.410 3.515 3.473 3.556 . 0 0 "[ . 1 . 2]" 1
55 1 5 LEU HA 1 8 LEU QB 3.770 . 3.970 2.776 2.646 2.894 . 0 0 "[ . 1 . 2]" 1
56 1 5 LEU HA 1 8 LEU QD 4.040 . 4.240 2.648 2.247 3.067 . 0 0 "[ . 1 . 2]" 1
57 1 5 LEU HA 1 16 TYR HD2 4.460 . 4.660 3.423 3.231 3.791 . 0 0 "[ . 1 . 2]" 1
58 1 5 LEU HA 1 16 TYR HE2 4.700 . 4.900 4.205 3.955 4.521 . 0 0 "[ . 1 . 2]" 1
59 1 5 LEU HB2 1 16 TYR HE2 4.550 . 4.750 4.013 3.864 4.338 . 0 0 "[ . 1 . 2]" 1
60 1 5 LEU HB3 1 5 LEU MD2 3.340 . 3.540 2.228 2.214 2.250 . 0 0 "[ . 1 . 2]" 1
61 1 5 LEU HB3 1 6 ARG H 5.410 . 5.610 3.523 3.492 3.575 . 0 0 "[ . 1 . 2]" 1
62 1 5 LEU HB3 1 16 TYR HD2 4.790 . 4.990 3.226 2.966 3.547 . 0 0 "[ . 1 . 2]" 1
63 1 5 LEU HB3 1 16 TYR HE2 3.250 . 3.450 2.368 2.275 2.695 . 0 0 "[ . 1 . 2]" 1
64 1 5 LEU MD1 1 16 TYR HE2 4.750 . 4.950 3.106 2.992 3.361 . 0 0 "[ . 1 . 2]" 1
65 1 5 LEU MD2 1 8 LEU QD 3.960 . 4.160 2.807 2.542 3.011 . 0 0 "[ . 1 . 2]" 1
66 1 5 LEU MD2 1 16 TYR HA 5.080 . 5.280 3.828 3.567 4.050 . 0 0 "[ . 1 . 2]" 1
67 1 5 LEU MD2 1 16 TYR HD2 3.960 . 4.160 2.854 2.629 3.036 . 0 0 "[ . 1 . 2]" 1
68 1 5 LEU MD2 1 16 TYR HE2 4.040 . 4.240 2.695 2.353 3.022 . 0 0 "[ . 1 . 2]" 1
69 1 5 LEU MD2 1 19 ALA MB 3.180 . 3.380 2.395 2.090 2.824 . 0 0 "[ . 1 . 2]" 1
70 1 6 ARG H 1 6 ARG QB 3.270 . 3.470 2.243 2.098 2.266 . 0 0 "[ . 1 . 2]" 1
71 1 6 ARG H 1 7 PHE QB 4.910 . 5.110 4.424 4.400 4.463 . 0 0 "[ . 1 . 2]" 1
72 1 6 ARG HA 1 6 ARG QG 3.590 . 3.790 2.390 2.280 3.467 . 0 0 "[ . 1 . 2]" 1
73 1 6 ARG HA 1 9 LEU H 4.120 . 4.320 3.551 3.496 3.603 . 0 0 "[ . 1 . 2]" 1
74 1 6 ARG HA 1 9 LEU HB2 4.630 . 4.830 3.331 3.152 3.578 . 0 0 "[ . 1 . 2]" 1
75 1 6 ARG HA 1 9 LEU HB3 4.250 . 4.450 2.998 2.803 3.167 . 0 0 "[ . 1 . 2]" 1
76 1 6 ARG HA 1 9 LEU QD 4.800 . 5.000 3.629 3.461 4.348 . 0 0 "[ . 1 . 2]" 1
77 1 6 ARG QB 1 7 PHE H 3.770 . 3.970 2.499 2.383 3.325 . 0 0 "[ . 1 . 2]" 1
78 1 6 ARG QD 1 7 PHE HA 3.740 . 3.940 3.088 2.644 3.956 0.016 9 0 "[ . 1 . 2]" 1
79 1 7 PHE H 1 7 PHE HB2 3.570 . 3.770 2.442 2.366 2.513 . 0 0 "[ . 1 . 2]" 1
80 1 7 PHE H 1 7 PHE QB 3.060 . 3.260 2.219 2.198 2.247 . 0 0 "[ . 1 . 2]" 1
81 1 7 PHE H 1 7 PHE HB3 3.570 . 3.770 2.551 2.469 2.636 . 0 0 "[ . 1 . 2]" 1
82 1 7 PHE H 1 8 LEU H 3.860 . 4.060 2.750 2.688 2.776 . 0 0 "[ . 1 . 2]" 1
83 1 7 PHE HA 1 7 PHE HD2 4.330 . 4.530 2.712 2.579 2.969 . 0 0 "[ . 1 . 2]" 1
84 1 7 PHE QB 1 8 LEU H 3.590 . 3.790 2.431 2.368 2.478 . 0 0 "[ . 1 . 2]" 1
85 1 7 PHE QB 1 36 TYR QB 4.150 . 4.350 3.574 2.712 3.861 . 0 0 "[ . 1 . 2]" 1
86 1 7 PHE QB 1 36 TYR HD2 5.050 . 5.250 4.748 3.095 5.251 0.001 11 0 "[ . 1 . 2]" 1
87 1 7 PHE HB2 1 8 LEU H 4.420 . 4.620 3.784 3.682 3.846 . 0 0 "[ . 1 . 2]" 1
88 1 7 PHE HB3 1 8 LEU H 4.420 . 4.620 2.461 2.395 2.509 . 0 0 "[ . 1 . 2]" 1
89 1 7 PHE HD1 1 8 LEU H 4.310 . 4.510 3.482 3.337 3.654 . 0 0 "[ . 1 . 2]" 1
90 1 7 PHE HD1 1 8 LEU QD 4.760 . 4.960 3.268 2.729 3.683 . 0 0 "[ . 1 . 2]" 1
91 1 7 PHE HD1 1 8 LEU HG 5.240 . 5.440 2.964 2.743 3.145 . 0 0 "[ . 1 . 2]" 1
92 1 7 PHE HE1 1 11 LYS HB2 4.830 . 5.030 4.881 4.504 5.038 0.008 12 0 "[ . 1 . 2]" 1
93 1 7 PHE HE1 1 11 LYS HE2 4.730 . 4.930 3.817 2.779 4.199 . 0 0 "[ . 1 . 2]" 1
94 1 7 PHE HE1 1 11 LYS QE 3.910 . 4.110 3.099 2.676 3.415 . 0 0 "[ . 1 . 2]" 1
95 1 7 PHE HE1 1 11 LYS HE3 4.730 . 4.930 3.491 2.752 4.931 0.001 20 0 "[ . 1 . 2]" 1
96 1 7 PHE HE1 1 11 LYS QG 4.430 . 4.630 2.875 2.466 3.087 . 0 0 "[ . 1 . 2]" 1
97 1 7 PHE HE1 1 37 GLU HA 4.020 . 4.220 3.194 2.787 3.410 . 0 0 "[ . 1 . 2]" 1
98 1 7 PHE HE1 1 37 GLU QB 4.350 . 4.550 4.279 4.072 4.558 0.008 12 0 "[ . 1 . 2]" 1
99 1 7 PHE HE1 1 37 GLU QG 4.780 . 4.980 4.300 2.833 4.982 0.002 15 0 "[ . 1 . 2]" 1
100 1 7 PHE HE1 1 40 LYS H 4.990 . 5.190 4.994 4.767 5.143 . 0 0 "[ . 1 . 2]" 1
101 1 7 PHE HE1 1 40 LYS HB3 4.610 . 4.810 4.643 4.473 4.817 0.007 20 0 "[ . 1 . 2]" 1
102 1 8 LEU H 1 8 LEU QD 4.050 . 4.250 3.142 2.937 3.314 . 0 0 "[ . 1 . 2]" 1
103 1 8 LEU H 1 8 LEU HG 4.110 . 4.310 2.535 2.333 2.680 . 0 0 "[ . 1 . 2]" 1
104 1 8 LEU H 1 9 LEU H 4.100 . 4.300 2.684 2.662 2.721 . 0 0 "[ . 1 . 2]" 1
105 1 8 LEU HA 1 8 LEU QD 2.920 . 3.120 2.177 2.075 2.258 . 0 0 "[ . 1 . 2]" 1
106 1 8 LEU HA 1 11 LYS H 4.610 . 4.810 3.537 3.498 3.634 . 0 0 "[ . 1 . 2]" 1
107 1 8 LEU HA 1 11 LYS HB2 4.510 . 4.710 2.930 2.868 3.020 . 0 0 "[ . 1 . 2]" 1
108 1 8 LEU HA 1 15 LEU MD1 3.540 . 3.740 3.188 2.918 3.418 . 0 0 "[ . 1 . 2]" 1
109 1 8 LEU QB 1 8 LEU QD 2.650 . 2.850 1.912 1.888 1.927 . 0 0 "[ . 1 . 2]" 1
110 1 8 LEU QB 1 9 LEU H 3.970 . 4.170 2.607 2.543 2.675 . 0 0 "[ . 1 . 2]" 1
111 1 8 LEU QB 1 15 LEU MD1 3.830 . 4.030 3.669 3.364 3.914 . 0 0 "[ . 1 . 2]" 1
112 1 8 LEU HB2 1 16 TYR HA 4.280 . 4.480 3.374 3.124 3.699 . 0 0 "[ . 1 . 2]" 1
113 1 8 LEU HB3 1 16 TYR HA 4.280 . 4.480 2.966 2.739 3.271 . 0 0 "[ . 1 . 2]" 1
114 1 8 LEU QD 1 15 LEU QB 3.200 . 3.400 1.979 1.913 2.035 . 0 0 "[ . 1 . 2]" 1
115 1 8 LEU QD 1 15 LEU MD2 3.810 . 4.010 3.081 2.942 3.196 . 0 0 "[ . 1 . 2]" 1
116 1 8 LEU QD 1 16 TYR H 5.440 . 5.640 4.121 3.891 4.291 . 0 0 "[ . 1 . 2]" 1
117 1 8 LEU QD 1 16 TYR HA 3.960 . 4.160 3.289 3.108 3.595 . 0 0 "[ . 1 . 2]" 1
118 1 8 LEU QD 1 18 TRP HB3 4.250 . 4.450 4.432 4.348 4.464 0.014 19 0 "[ . 1 . 2]" 1
119 1 8 LEU QD 1 18 TRP HD1 3.990 . 4.190 3.986 3.646 4.160 . 0 0 "[ . 1 . 2]" 1
120 1 8 LEU QD 1 19 ALA MB 3.780 . 3.980 2.202 2.106 2.359 . 0 0 "[ . 1 . 2]" 1
121 1 8 LEU QD 1 40 LYS HA 3.870 . 4.070 3.205 2.941 3.444 . 0 0 "[ . 1 . 2]" 1
122 1 8 LEU QD 1 40 LYS HB2 3.520 . 3.720 3.449 3.221 3.678 . 0 0 "[ . 1 . 2]" 1
123 1 8 LEU QD 1 40 LYS HB3 3.560 . 3.760 2.276 2.035 2.519 . 0 0 "[ . 1 . 2]" 1
124 1 8 LEU QD 1 40 LYS QD 3.870 . 4.070 3.409 3.006 3.945 . 0 0 "[ . 1 . 2]" 1
125 1 8 LEU QD 1 40 LYS QG 4.050 . 4.250 3.613 3.277 4.016 . 0 0 "[ . 1 . 2]" 1
126 1 8 LEU QD 1 43 ILE MD 4.110 . 4.310 2.671 2.457 2.865 . 0 0 "[ . 1 . 2]" 1
127 1 8 LEU MD1 1 16 TYR HA 4.580 . 4.780 3.419 3.186 3.762 . 0 0 "[ . 1 . 2]" 1
128 1 8 LEU MD1 1 18 TRP HD1 4.670 . 4.870 4.415 3.766 4.859 . 0 0 "[ . 1 . 2]" 1
129 1 8 LEU MD1 1 19 ALA H 5.500 . 5.700 4.053 3.786 4.355 . 0 0 "[ . 1 . 2]" 1
130 1 8 LEU MD2 1 16 TYR HA 4.580 . 4.780 4.334 3.798 4.709 . 0 0 "[ . 1 . 2]" 1
131 1 8 LEU MD2 1 18 TRP HD1 4.670 . 4.870 4.648 4.255 4.883 0.013 2 0 "[ . 1 . 2]" 1
132 1 8 LEU MD2 1 19 ALA H 5.500 . 5.700 4.901 4.339 5.475 . 0 0 "[ . 1 . 2]" 1
133 1 8 LEU HG 1 39 ILE MG 5.290 . 5.490 5.089 4.562 5.485 . 0 0 "[ . 1 . 2]" 1
134 1 8 LEU HG 1 40 LYS QG 5.500 . 5.700 5.703 5.670 5.719 0.019 11 0 "[ . 1 . 2]" 1
135 1 9 LEU H 1 9 LEU HB2 3.430 . 3.630 2.316 2.210 2.476 . 0 0 "[ . 1 . 2]" 1
136 1 9 LEU H 1 9 LEU HB3 3.570 . 3.770 2.712 2.508 2.863 . 0 0 "[ . 1 . 2]" 1
137 1 9 LEU H 1 9 LEU MD1 5.500 . 5.700 4.076 3.924 4.190 . 0 0 "[ . 1 . 2]" 1
138 1 9 LEU H 1 9 LEU MD2 5.500 . 5.700 4.185 3.722 4.284 . 0 0 "[ . 1 . 2]" 1
139 1 9 LEU H 1 10 SER H 3.950 . 4.150 2.721 2.697 2.765 . 0 0 "[ . 1 . 2]" 1
140 1 9 LEU H 1 16 TYR HD2 4.390 . 4.590 3.684 3.433 3.897 . 0 0 "[ . 1 . 2]" 1
141 1 9 LEU HA 1 9 LEU QD 3.100 . 3.300 2.313 1.971 2.601 . 0 0 "[ . 1 . 2]" 1
142 1 9 LEU HA 1 16 TYR HB2 3.710 . 3.910 2.299 2.263 2.439 . 0 0 "[ . 1 . 2]" 1
143 1 9 LEU HA 1 16 TYR HB3 4.230 . 4.430 3.452 3.282 3.632 . 0 0 "[ . 1 . 2]" 1
144 1 9 LEU HA 1 16 TYR HD1 5.360 . 5.560 5.164 4.807 5.562 0.002 12 0 "[ . 1 . 2]" 1
145 1 9 LEU HA 1 16 TYR HD2 5.500 . 5.700 4.212 3.961 4.370 . 0 0 "[ . 1 . 2]" 1
146 1 9 LEU HB2 1 11 LYS H 5.500 . 5.700 5.702 5.670 5.737 0.037 7 0 "[ . 1 . 2]" 1
147 1 9 LEU HB2 1 16 TYR HB2 4.240 . 4.440 3.068 2.740 3.414 . 0 0 "[ . 1 . 2]" 1
148 1 9 LEU HB2 1 16 TYR HB3 5.210 . 5.410 4.464 4.128 4.844 . 0 0 "[ . 1 . 2]" 1
149 1 9 LEU HB2 1 16 TYR HD2 4.380 . 4.580 3.101 2.775 3.354 . 0 0 "[ . 1 . 2]" 1
150 1 9 LEU HB2 1 16 TYR HE2 4.180 . 4.380 4.316 4.032 4.387 0.007 19 0 "[ . 1 . 2]" 1
151 1 9 LEU HB3 1 10 SER H 4.120 . 4.320 2.507 2.420 2.570 . 0 0 "[ . 1 . 2]" 1
152 1 9 LEU HB3 1 16 TYR HB2 5.310 . 5.510 4.440 4.238 4.666 . 0 0 "[ . 1 . 2]" 1
153 1 9 LEU HB3 1 16 TYR HD2 5.290 . 5.490 4.788 4.370 5.099 . 0 0 "[ . 1 . 2]" 1
154 1 9 LEU QD 1 13 ARG HA 3.280 . 3.480 2.893 2.325 3.437 . 0 0 "[ . 1 . 2]" 1
155 1 9 LEU QD 1 13 ARG QB 4.440 . 4.640 3.809 3.373 4.350 . 0 0 "[ . 1 . 2]" 1
156 1 9 LEU QD 1 13 ARG QD 4.280 . 4.480 4.149 3.781 4.478 . 0 0 "[ . 1 . 2]" 1
157 1 9 LEU QD 1 13 ARG QG 3.820 . 4.020 2.927 2.358 3.785 . 0 0 "[ . 1 . 2]" 1
158 1 9 LEU QD 1 16 TYR HB2 4.350 . 4.550 2.948 2.225 3.699 . 0 0 "[ . 1 . 2]" 1
159 1 9 LEU QD 1 16 TYR HB3 4.430 . 4.630 3.277 2.453 4.084 . 0 0 "[ . 1 . 2]" 1
160 1 9 LEU QD 1 16 TYR HD1 4.220 . 4.420 3.525 2.727 3.874 . 0 0 "[ . 1 . 2]" 1
161 1 9 LEU QD 1 16 TYR HE1 4.810 . 5.010 3.976 3.372 4.484 . 0 0 "[ . 1 . 2]" 1
162 1 9 LEU QD 1 16 TYR HE2 5.440 . 5.640 3.839 3.445 4.153 . 0 0 "[ . 1 . 2]" 1
163 1 9 LEU MD1 1 16 TYR HE1 5.500 . 5.700 4.342 3.746 5.716 0.016 4 0 "[ . 1 . 2]" 1
164 1 9 LEU MD2 1 16 TYR HE1 5.500 . 5.700 5.298 3.396 5.714 0.014 15 0 "[ . 1 . 2]" 1
165 1 10 SER H 1 10 SER QB 3.410 . 3.610 2.382 2.222 2.503 . 0 0 "[ . 1 . 2]" 1
166 1 10 SER H 1 11 LYS HB2 4.990 . 5.190 4.926 4.849 5.022 . 0 0 "[ . 1 . 2]" 1
167 1 10 SER H 1 11 LYS QG 5.240 . 5.440 4.396 4.336 4.524 . 0 0 "[ . 1 . 2]" 1
168 1 10 SER QB 1 11 LYS H 4.500 . 4.700 2.743 2.534 3.412 . 0 0 "[ . 1 . 2]" 1
169 1 11 LYS H 1 11 LYS HG2 4.530 . 4.730 2.320 2.250 2.442 . 0 0 "[ . 1 . 2]" 1
170 1 11 LYS H 1 11 LYS QG 3.670 . 3.870 2.295 2.230 2.408 . 0 0 "[ . 1 . 2]" 1
171 1 11 LYS H 1 11 LYS HG3 4.530 . 4.730 3.636 3.586 3.690 . 0 0 "[ . 1 . 2]" 1
172 1 11 LYS H 1 12 GLY H 3.410 . 3.610 2.636 2.605 2.657 . 0 0 "[ . 1 . 2]" 1
173 1 11 LYS H 1 15 LEU MD1 5.500 . 5.700 4.169 3.819 4.515 . 0 0 "[ . 1 . 2]" 1
174 1 11 LYS HB2 1 15 LEU MD1 4.000 . 4.200 2.432 2.142 2.754 . 0 0 "[ . 1 . 2]" 1
175 1 12 GLY HA2 1 15 LEU MD1 4.480 . 4.680 4.019 3.664 4.272 . 0 0 "[ . 1 . 2]" 1
176 1 12 GLY HA3 1 13 ARG H 3.270 . 3.470 2.803 2.710 2.941 . 0 0 "[ . 1 . 2]" 1
177 1 12 GLY HA3 1 14 ALA H 4.150 . 4.350 3.562 3.459 3.683 . 0 0 "[ . 1 . 2]" 1
178 1 13 ARG H 1 13 ARG QB 3.460 . 3.660 2.327 2.224 2.375 . 0 0 "[ . 1 . 2]" 1
179 1 13 ARG H 1 14 ALA HA 4.760 . 4.960 4.934 4.876 4.982 0.022 16 0 "[ . 1 . 2]" 1
180 1 13 ARG H 1 14 ALA MB 3.710 . 3.910 3.910 3.871 3.931 0.021 20 0 "[ . 1 . 2]" 1
181 1 13 ARG HA 1 16 TYR HB3 3.670 . 3.870 2.770 2.563 2.946 . 0 0 "[ . 1 . 2]" 1
182 1 13 ARG QB 1 14 ALA H 4.140 . 4.340 2.723 2.658 2.778 . 0 0 "[ . 1 . 2]" 1
183 1 14 ALA H 1 14 ALA MB 3.210 . 3.410 2.135 2.095 2.159 . 0 0 "[ . 1 . 2]" 1
184 1 14 ALA H 1 15 LEU H 3.900 . 4.100 2.713 2.623 2.796 . 0 0 "[ . 1 . 2]" 1
185 1 14 ALA HA 1 17 ASN QB 3.900 . 4.100 2.741 2.638 2.935 . 0 0 "[ . 1 . 2]" 1
186 1 15 LEU H 1 15 LEU QB 3.460 . 3.660 2.577 2.524 2.625 . 0 0 "[ . 1 . 2]" 1
187 1 15 LEU H 1 15 LEU MD1 4.400 . 4.600 3.277 3.145 3.366 . 0 0 "[ . 1 . 2]" 1
188 1 15 LEU H 1 15 LEU MD2 4.910 . 5.110 3.068 2.967 3.238 . 0 0 "[ . 1 . 2]" 1
189 1 15 LEU H 1 15 LEU HG 3.550 . 3.750 1.755 1.742 1.787 . 0 0 "[ . 1 . 2]" 1
190 1 15 LEU H 1 16 TYR H 3.540 . 3.740 2.679 2.642 2.710 . 0 0 "[ . 1 . 2]" 1
191 1 15 LEU H 1 40 LYS HB2 5.500 . 5.700 5.715 5.703 5.723 0.023 4 0 "[ . 1 . 2]" 1
192 1 15 LEU HA 1 15 LEU MD2 3.760 . 3.960 2.264 2.160 2.398 . 0 0 "[ . 1 . 2]" 1
193 1 15 LEU HA 1 18 TRP H 4.510 . 4.710 3.546 3.481 3.600 . 0 0 "[ . 1 . 2]" 1
194 1 15 LEU HA 1 18 TRP HB2 4.220 . 4.420 3.656 3.485 3.825 . 0 0 "[ . 1 . 2]" 1
195 1 15 LEU HA 1 18 TRP HB3 4.590 . 4.790 2.671 2.486 2.786 . 0 0 "[ . 1 . 2]" 1
196 1 15 LEU HA 1 43 ILE MD 4.970 . 5.170 3.211 3.076 3.360 . 0 0 "[ . 1 . 2]" 1
197 1 15 LEU HA 1 43 ILE MG 3.330 . 3.530 2.461 2.371 2.659 . 0 0 "[ . 1 . 2]" 1
198 1 15 LEU HA 1 47 LEU QD 4.660 . 4.860 4.674 3.993 4.882 0.022 9 0 "[ . 1 . 2]" 1
199 1 15 LEU QB 1 16 TYR H 3.530 . 3.730 2.445 2.339 2.538 . 0 0 "[ . 1 . 2]" 1
200 1 15 LEU QB 1 16 TYR HA 4.810 . 5.010 3.815 3.754 3.869 . 0 0 "[ . 1 . 2]" 1
201 1 15 LEU QB 1 43 ILE MD 4.560 . 4.760 3.208 2.974 3.329 . 0 0 "[ . 1 . 2]" 1
202 1 15 LEU QB 1 43 ILE MG 3.950 . 4.150 3.541 3.451 3.591 . 0 0 "[ . 1 . 2]" 1
203 1 15 LEU HB2 1 43 ILE MG 4.560 . 4.760 4.757 4.680 4.780 0.020 17 0 "[ . 1 . 2]" 1
204 1 15 LEU HB3 1 43 ILE MG 4.560 . 4.760 3.653 3.541 3.714 . 0 0 "[ . 1 . 2]" 1
205 1 15 LEU MD1 1 16 TYR H 5.500 . 5.700 4.204 4.098 4.287 . 0 0 "[ . 1 . 2]" 1
206 1 15 LEU MD1 1 40 LYS H 4.980 . 5.180 4.774 4.721 4.812 . 0 0 "[ . 1 . 2]" 1
207 1 15 LEU MD1 1 40 LYS HA 4.330 . 4.530 3.663 3.584 3.734 . 0 0 "[ . 1 . 2]" 1
208 1 15 LEU MD1 1 40 LYS HB2 4.290 . 4.490 2.064 2.030 2.141 . 0 0 "[ . 1 . 2]" 1
209 1 15 LEU MD1 1 40 LYS HB3 4.430 . 4.630 2.247 2.220 2.285 . 0 0 "[ . 1 . 2]" 1
210 1 15 LEU MD1 1 40 LYS QE 4.880 . 5.080 3.768 2.278 4.042 . 0 0 "[ . 1 . 2]" 1
211 1 15 LEU MD1 1 40 LYS QG 4.270 . 4.470 3.412 3.378 3.445 . 0 0 "[ . 1 . 2]" 1
212 1 15 LEU MD2 1 40 LYS HA 4.790 . 4.990 2.430 2.300 2.550 . 0 0 "[ . 1 . 2]" 1
213 1 15 LEU MD2 1 40 LYS QD 3.390 . 3.590 3.446 3.230 3.602 0.012 13 0 "[ . 1 . 2]" 1
214 1 15 LEU MD2 1 40 LYS QG 4.170 . 4.370 3.821 3.768 3.913 . 0 0 "[ . 1 . 2]" 1
215 1 15 LEU MD2 1 44 GLU H 4.590 . 4.790 3.009 2.930 3.101 . 0 0 "[ . 1 . 2]" 1
216 1 15 LEU MD2 1 44 GLU HA 4.160 . 4.360 3.325 3.177 3.422 . 0 0 "[ . 1 . 2]" 1
217 1 15 LEU MD2 1 44 GLU HG2 3.550 . 3.750 3.467 3.361 3.603 . 0 0 "[ . 1 . 2]" 1
218 1 15 LEU MD2 1 44 GLU HG3 4.840 . 5.040 4.309 3.721 4.471 . 0 0 "[ . 1 . 2]" 1
219 1 16 TYR H 1 16 TYR HB2 3.680 . 3.880 2.584 2.515 2.651 . 0 0 "[ . 1 . 2]" 1
220 1 16 TYR H 1 16 TYR HB3 3.390 . 3.590 2.441 2.383 2.496 . 0 0 "[ . 1 . 2]" 1
221 1 16 TYR H 1 16 TYR HD1 5.110 . 5.310 4.666 4.598 4.729 . 0 0 "[ . 1 . 2]" 1
222 1 16 TYR H 1 16 TYR HD2 5.500 . 5.700 4.691 4.603 4.777 . 0 0 "[ . 1 . 2]" 1
223 1 16 TYR H 1 17 ASN H 3.900 . 4.100 2.711 2.677 2.754 . 0 0 "[ . 1 . 2]" 1
224 1 16 TYR HA 1 16 TYR HD2 3.610 . 3.810 2.548 2.370 2.769 . 0 0 "[ . 1 . 2]" 1
225 1 16 TYR HA 1 19 ALA MB 4.000 . 4.200 2.738 2.660 2.932 . 0 0 "[ . 1 . 2]" 1
226 1 16 TYR HB2 1 16 TYR HD2 3.470 . 3.670 2.619 2.510 2.724 . 0 0 "[ . 1 . 2]" 1
227 1 16 TYR HB2 1 17 ASN H 4.880 . 5.080 3.857 3.816 3.897 . 0 0 "[ . 1 . 2]" 1
228 1 16 TYR HB3 1 16 TYR HD1 3.360 . 3.560 2.344 2.302 2.395 . 0 0 "[ . 1 . 2]" 1
229 1 16 TYR HB3 1 17 ASN H 3.730 . 3.930 2.499 2.453 2.535 . 0 0 "[ . 1 . 2]" 1
230 1 16 TYR HD1 1 17 ASN H 3.990 . 4.190 3.426 3.137 3.652 . 0 0 "[ . 1 . 2]" 1
231 1 16 TYR HD1 1 17 ASN HA 4.570 . 4.770 3.540 3.168 3.856 . 0 0 "[ . 1 . 2]" 1
232 1 16 TYR HE1 1 20 LYS QD 4.470 . 4.670 3.456 2.937 4.224 . 0 0 "[ . 1 . 2]" 1
233 1 17 ASN H 1 17 ASN QB 3.410 . 3.610 2.272 2.242 2.328 . 0 0 "[ . 1 . 2]" 1
234 1 17 ASN H 1 18 TRP H 4.070 . 4.270 2.698 2.643 2.739 . 0 0 "[ . 1 . 2]" 1
235 1 17 ASN HA 1 20 LYS H 4.740 . 4.940 3.530 3.496 3.595 . 0 0 "[ . 1 . 2]" 1
236 1 17 ASN HA 1 20 LYS QB 3.830 . 4.030 2.760 2.700 2.808 . 0 0 "[ . 1 . 2]" 1
237 1 17 ASN QB 1 18 TRP H 3.840 . 4.040 2.525 2.473 2.594 . 0 0 "[ . 1 . 2]" 1
238 1 17 ASN QB 1 20 LYS QB 4.600 . 4.800 4.437 4.266 4.550 . 0 0 "[ . 1 . 2]" 1
239 1 18 TRP H 1 18 TRP HB3 3.330 . 3.530 2.368 2.278 2.427 . 0 0 "[ . 1 . 2]" 1
240 1 18 TRP H 1 19 ALA H 3.650 . 3.850 2.769 2.739 2.795 . 0 0 "[ . 1 . 2]" 1
241 1 18 TRP HA 1 20 LYS H 4.710 . 4.910 4.494 4.444 4.526 . 0 0 "[ . 1 . 2]" 1
242 1 18 TRP HA 1 21 SER H 5.280 . 5.480 3.567 3.528 3.618 . 0 0 "[ . 1 . 2]" 1
243 1 18 TRP HB2 1 43 ILE MG 3.800 . 4.000 2.764 2.509 3.152 . 0 0 "[ . 1 . 2]" 1
244 1 18 TRP HB3 1 19 ALA H 4.460 . 4.660 2.545 2.471 2.620 . 0 0 "[ . 1 . 2]" 1
245 1 18 TRP HB3 1 43 ILE MG 4.190 . 4.390 2.456 2.181 2.829 . 0 0 "[ . 1 . 2]" 1
246 1 18 TRP HE1 1 25 LYS HB2 5.500 . 5.700 3.020 2.738 3.248 . 0 0 "[ . 1 . 2]" 1
247 1 18 TRP HE1 1 25 LYS HB3 5.500 . 5.700 2.896 2.583 3.458 . 0 0 "[ . 1 . 2]" 1
248 1 18 TRP HE1 1 25 LYS QG 4.430 . 4.630 3.231 2.684 4.140 . 0 0 "[ . 1 . 2]" 1
249 1 18 TRP HZ2 1 25 LYS HA 5.500 . 5.700 5.583 5.160 5.710 0.010 18 0 "[ . 1 . 2]" 1
250 1 18 TRP HZ2 1 25 LYS HB2 4.320 . 4.520 4.123 3.510 4.455 . 0 0 "[ . 1 . 2]" 1
251 1 18 TRP HZ2 1 25 LYS HB3 4.320 . 4.520 3.744 3.262 4.187 . 0 0 "[ . 1 . 2]" 1
252 1 19 ALA H 1 19 ALA MB 3.380 . 3.580 2.194 2.164 2.240 . 0 0 "[ . 1 . 2]" 1
253 1 19 ALA H 1 20 LYS H 3.910 . 4.110 2.702 2.667 2.726 . 0 0 "[ . 1 . 2]" 1
254 1 19 ALA H 1 20 LYS QB 5.200 . 5.400 4.461 4.422 4.491 . 0 0 "[ . 1 . 2]" 1
255 1 19 ALA H 1 43 ILE MD 4.830 . 5.030 4.103 3.814 4.342 . 0 0 "[ . 1 . 2]" 1
256 1 19 ALA H 1 43 ILE MG 5.380 . 5.580 4.427 4.006 4.728 . 0 0 "[ . 1 . 2]" 1
257 1 19 ALA HA 1 26 VAL MG1 5.420 . 5.620 4.871 4.303 5.196 . 0 0 "[ . 1 . 2]" 1
258 1 19 ALA HA 1 26 VAL MG2 3.240 . 3.440 2.406 2.106 2.628 . 0 0 "[ . 1 . 2]" 1
259 1 19 ALA MB 1 20 LYS H 3.960 . 4.160 2.537 2.473 2.622 . 0 0 "[ . 1 . 2]" 1
260 1 19 ALA MB 1 26 VAL MG2 3.200 . 3.400 2.100 2.007 2.190 . 0 0 "[ . 1 . 2]" 1
261 1 20 LYS H 1 20 LYS QB 3.190 . 3.390 2.257 2.238 2.274 . 0 0 "[ . 1 . 2]" 1
262 1 20 LYS H 1 20 LYS QG 4.510 . 4.710 3.951 3.930 3.970 . 0 0 "[ . 1 . 2]" 1
263 1 20 LYS H 1 21 SER H 3.930 . 4.130 2.681 2.650 2.707 . 0 0 "[ . 1 . 2]" 1
264 1 20 LYS HA 1 20 LYS QD 3.940 . 4.140 3.949 3.904 4.146 0.006 4 0 "[ . 1 . 2]" 1
265 1 20 LYS HA 1 20 LYS QG 3.510 . 3.710 2.335 2.294 2.361 . 0 0 "[ . 1 . 2]" 1
266 1 20 LYS QB 1 21 SER H 3.970 . 4.170 2.462 2.425 2.494 . 0 0 "[ . 1 . 2]" 1
267 1 21 SER QB 1 22 HIS H 4.190 . 4.390 2.694 2.504 3.383 . 0 0 "[ . 1 . 2]" 1
268 1 22 HIS H 1 23 VAL HA 4.340 . 4.540 4.546 4.470 4.566 0.026 17 0 "[ . 1 . 2]" 1
269 1 22 HIS H 1 23 VAL MG1 5.500 . 5.700 4.370 4.021 5.721 0.021 8 0 "[ . 1 . 2]" 1
270 1 22 HIS H 1 23 VAL QG 4.210 . 4.410 4.042 3.876 4.120 . 0 0 "[ . 1 . 2]" 1
271 1 22 HIS H 1 23 VAL MG2 5.500 . 5.700 5.091 4.024 5.281 . 0 0 "[ . 1 . 2]" 1
272 1 22 HIS QB 1 23 VAL H 4.250 . 4.450 3.800 3.741 3.993 . 0 0 "[ . 1 . 2]" 1
273 1 22 HIS QB 1 23 VAL QG 5.280 . 5.480 4.305 4.215 4.539 . 0 0 "[ . 1 . 2]" 1
274 1 22 HIS QB 1 25 LYS H 5.340 . 5.540 2.645 2.431 3.087 . 0 0 "[ . 1 . 2]" 1
275 1 22 HIS QB 1 25 LYS QB 4.070 . 4.270 2.753 2.490 2.922 . 0 0 "[ . 1 . 2]" 1
276 1 22 HIS HB2 1 23 VAL H 4.860 . 5.060 4.517 4.410 4.650 . 0 0 "[ . 1 . 2]" 1
277 1 22 HIS HB3 1 23 VAL H 4.860 . 5.060 4.088 4.009 4.352 . 0 0 "[ . 1 . 2]" 1
278 1 23 VAL H 1 23 VAL HB 3.610 . 3.810 3.514 2.762 3.622 . 0 0 "[ . 1 . 2]" 1
279 1 23 VAL H 1 23 VAL QG 3.810 . 4.010 1.755 1.706 1.817 . 0 0 "[ . 1 . 2]" 1
280 1 23 VAL H 1 24 GLY H 4.340 . 4.540 2.498 2.451 2.573 . 0 0 "[ . 1 . 2]" 1
281 1 23 VAL HA 1 25 LYS H 4.610 . 4.810 4.218 4.099 4.468 . 0 0 "[ . 1 . 2]" 1
282 1 23 VAL HA 1 26 VAL H 4.300 . 4.500 3.303 3.199 3.432 . 0 0 "[ . 1 . 2]" 1
283 1 23 VAL HA 1 26 VAL HB 3.830 . 4.030 2.794 2.541 2.886 . 0 0 "[ . 1 . 2]" 1
284 1 23 VAL HA 1 26 VAL MG2 3.690 . 3.890 2.820 2.670 3.092 . 0 0 "[ . 1 . 2]" 1
285 1 23 VAL HB 1 24 GLY H 4.560 . 4.760 3.858 3.025 3.992 . 0 0 "[ . 1 . 2]" 1
286 1 23 VAL QG 1 24 GLY H 4.430 . 4.630 2.410 2.217 3.409 . 0 0 "[ . 1 . 2]" 1
287 1 23 VAL QG 1 24 GLY QA 4.570 . 4.770 3.091 2.939 3.906 . 0 0 "[ . 1 . 2]" 1
288 1 23 VAL QG 1 25 LYS H 5.440 . 5.640 4.344 4.245 4.812 . 0 0 "[ . 1 . 2]" 1
289 1 23 VAL QG 1 26 VAL H 5.030 . 5.230 4.468 4.070 4.589 . 0 0 "[ . 1 . 2]" 1
290 1 23 VAL QG 1 26 VAL MG2 4.160 . 4.360 3.722 3.208 4.021 . 0 0 "[ . 1 . 2]" 1
291 1 23 VAL MG1 1 24 GLY H 5.080 . 5.280 3.960 3.887 4.071 . 0 0 "[ . 1 . 2]" 1
292 1 23 VAL MG2 1 24 GLY H 5.080 . 5.280 2.448 2.230 3.674 . 0 0 "[ . 1 . 2]" 1
293 1 24 GLY H 1 25 LYS H 3.770 . 3.970 2.710 2.658 2.830 . 0 0 "[ . 1 . 2]" 1
294 1 25 LYS H 1 25 LYS HB2 3.580 . 3.780 2.462 2.206 2.537 . 0 0 "[ . 1 . 2]" 1
295 1 25 LYS H 1 25 LYS HB3 3.580 . 3.780 3.579 3.505 3.607 . 0 0 "[ . 1 . 2]" 1
296 1 25 LYS H 1 26 VAL H 3.930 . 4.130 2.645 2.587 2.712 . 0 0 "[ . 1 . 2]" 1
297 1 25 LYS HA 1 25 LYS QD 3.700 . 3.900 2.233 2.156 2.536 . 0 0 "[ . 1 . 2]" 1
298 1 25 LYS HA 1 25 LYS QE 4.870 . 5.070 3.997 3.745 4.298 . 0 0 "[ . 1 . 2]" 1
299 1 25 LYS HA 1 28 GLU QB 3.760 . 3.960 2.576 2.299 2.895 . 0 0 "[ . 1 . 2]" 1
300 1 25 LYS QB 1 26 VAL H 3.760 . 3.960 2.598 2.512 2.759 . 0 0 "[ . 1 . 2]" 1
301 1 25 LYS QB 1 29 TRP HH2 4.990 . 5.190 4.301 2.272 5.156 . 0 0 "[ . 1 . 2]" 1
302 1 25 LYS QD 1 29 TRP HE1 5.330 . 5.530 4.225 3.503 5.549 0.019 18 0 "[ . 1 . 2]" 1
303 1 25 LYS QD 1 29 TRP HZ2 4.210 . 4.410 2.680 2.253 4.415 0.005 17 0 "[ . 1 . 2]" 1
304 1 25 LYS QG 1 29 TRP HZ2 5.170 . 5.370 4.240 2.277 5.374 0.004 18 0 "[ . 1 . 2]" 1
305 1 26 VAL H 1 26 VAL HB 3.520 . 3.720 2.399 2.361 2.439 . 0 0 "[ . 1 . 2]" 1
306 1 26 VAL H 1 26 VAL MG1 4.450 . 4.650 3.728 3.711 3.743 . 0 0 "[ . 1 . 2]" 1
307 1 26 VAL H 1 26 VAL MG2 3.500 . 3.700 2.219 2.163 2.315 . 0 0 "[ . 1 . 2]" 1
308 1 26 VAL H 1 27 TRP H 3.670 . 3.870 2.649 2.556 2.710 . 0 0 "[ . 1 . 2]" 1
309 1 26 VAL HA 1 26 VAL MG1 3.500 . 3.700 2.390 2.333 2.444 . 0 0 "[ . 1 . 2]" 1
310 1 26 VAL HA 1 26 VAL MG2 3.230 . 3.430 2.306 2.221 2.359 . 0 0 "[ . 1 . 2]" 1
311 1 26 VAL HB 1 27 TRP H 3.830 . 4.030 2.469 2.435 2.508 . 0 0 "[ . 1 . 2]" 1
312 1 26 VAL MG1 1 27 TRP H 4.660 . 4.860 3.179 3.085 3.247 . 0 0 "[ . 1 . 2]" 1
313 1 26 VAL MG2 1 27 TRP H 5.010 . 5.210 3.842 3.807 3.888 . 0 0 "[ . 1 . 2]" 1
314 1 27 TRP H 1 27 TRP QB 3.450 . 3.650 2.318 2.202 2.347 . 0 0 "[ . 1 . 2]" 1
315 1 27 TRP H 1 28 GLU H 3.850 . 4.050 2.689 2.624 2.723 . 0 0 "[ . 1 . 2]" 1
316 1 27 TRP QB 1 27 TRP HD1 3.330 . 3.530 2.647 2.473 3.178 . 0 0 "[ . 1 . 2]" 1
317 1 27 TRP HB2 1 29 TRP H 5.500 . 5.700 5.270 5.213 5.562 . 0 0 "[ . 1 . 2]" 1
318 1 27 TRP HB3 1 29 TRP H 5.500 . 5.700 5.653 5.612 5.710 0.010 12 0 "[ . 1 . 2]" 1
319 1 28 GLU H 1 28 GLU QB 3.210 . 3.410 2.250 2.116 2.565 . 0 0 "[ . 1 . 2]" 1
320 1 28 GLU H 1 28 GLU QG 4.590 . 4.790 3.799 2.193 4.061 . 0 0 "[ . 1 . 2]" 1
321 1 28 GLU H 1 29 TRP H 3.780 . 3.980 2.891 2.844 3.032 . 0 0 "[ . 1 . 2]" 1
322 1 28 GLU H 1 29 TRP HB2 5.420 . 5.620 5.446 5.309 5.573 . 0 0 "[ . 1 . 2]" 1
323 1 28 GLU H 1 30 LEU H 5.500 . 5.700 4.196 4.167 4.224 . 0 0 "[ . 1 . 2]" 1
324 1 28 GLU HA 1 31 LYS H 4.820 . 5.020 3.681 3.603 3.905 . 0 0 "[ . 1 . 2]" 1
325 1 28 GLU HA 1 31 LYS QB 3.740 . 3.940 2.979 2.836 3.244 . 0 0 "[ . 1 . 2]" 1
326 1 28 GLU QB 1 29 TRP H 3.680 . 3.880 2.488 2.263 2.574 . 0 0 "[ . 1 . 2]" 1
327 1 28 GLU QB 1 29 TRP HZ3 4.490 . 4.690 4.641 3.847 4.733 0.043 16 0 "[ . 1 . 2]" 1
328 1 28 GLU QG 1 29 TRP HH2 5.110 . 5.310 5.073 4.550 5.348 0.038 12 0 "[ . 1 . 2]" 1
329 1 29 TRP H 1 29 TRP HB2 4.120 . 4.320 2.773 2.487 2.905 . 0 0 "[ . 1 . 2]" 1
330 1 29 TRP H 1 29 TRP HB3 4.160 . 4.360 3.652 3.625 3.714 . 0 0 "[ . 1 . 2]" 1
331 1 29 TRP H 1 29 TRP HD1 5.360 . 5.560 3.661 3.398 4.509 . 0 0 "[ . 1 . 2]" 1
332 1 29 TRP H 1 30 LEU H 3.930 . 4.130 2.635 2.577 2.663 . 0 0 "[ . 1 . 2]" 1
333 1 29 TRP H 1 34 ALA MB 5.440 . 5.640 5.342 5.057 5.589 . 0 0 "[ . 1 . 2]" 1
334 1 29 TRP HB2 1 30 LEU H 4.340 . 4.540 2.760 2.652 2.994 . 0 0 "[ . 1 . 2]" 1
335 1 29 TRP HB2 1 30 LEU QD 4.330 . 4.530 3.302 2.504 4.491 . 0 0 "[ . 1 . 2]" 1
336 1 29 TRP HB2 1 34 ALA MB 3.890 . 4.090 3.849 3.475 4.095 0.005 13 0 "[ . 1 . 2]" 1
337 1 29 TRP HB2 1 39 ILE MD 4.650 . 4.850 2.239 2.153 2.603 . 0 0 "[ . 1 . 2]" 1
338 1 29 TRP HB2 1 39 ILE HG12 4.540 . 4.740 3.303 2.416 3.541 . 0 0 "[ . 1 . 2]" 1
339 1 29 TRP HB2 1 39 ILE QG 3.870 . 4.070 3.225 2.392 3.448 . 0 0 "[ . 1 . 2]" 1
340 1 29 TRP HB2 1 39 ILE HG13 4.540 . 4.740 4.544 3.840 4.749 0.009 15 0 "[ . 1 . 2]" 1
341 1 29 TRP HB2 1 39 ILE MG 4.600 . 4.800 3.274 3.120 3.655 . 0 0 "[ . 1 . 2]" 1
342 1 29 TRP HB2 1 42 TRP HZ3 5.000 . 5.200 5.118 4.479 5.218 0.018 3 0 "[ . 1 . 2]" 1
343 1 29 TRP HB3 1 30 LEU H 3.890 . 4.090 3.923 3.828 3.992 . 0 0 "[ . 1 . 2]" 1
344 1 29 TRP HB3 1 34 ALA MB 4.400 . 4.600 2.438 2.083 2.712 . 0 0 "[ . 1 . 2]" 1
345 1 29 TRP HB3 1 35 THR H 5.500 . 5.700 5.674 5.424 5.713 0.013 4 0 "[ . 1 . 2]" 1
346 1 29 TRP HB3 1 39 ILE H 5.500 . 5.700 5.513 5.341 5.595 . 0 0 "[ . 1 . 2]" 1
347 1 29 TRP HB3 1 39 ILE QG 4.330 . 4.530 2.259 2.222 2.439 . 0 0 "[ . 1 . 2]" 1
348 1 29 TRP HB3 1 39 ILE MG 4.690 . 4.890 3.413 3.134 4.109 . 0 0 "[ . 1 . 2]" 1
349 1 29 TRP HD1 1 34 ALA MB 5.440 . 5.640 4.923 2.573 5.646 0.006 17 0 "[ . 1 . 2]" 1
350 1 29 TRP HH2 1 42 TRP HB2 5.500 . 5.700 5.340 4.462 5.700 . 0 0 "[ . 1 . 2]" 1
351 1 29 TRP HZ3 1 39 ILE MG 5.260 . 5.460 5.101 3.522 5.487 0.027 4 0 "[ . 1 . 2]" 1
352 1 30 LEU H 1 30 LEU QB 3.370 . 3.570 2.270 2.176 2.415 . 0 0 "[ . 1 . 2]" 1
353 1 30 LEU H 1 30 LEU QD 4.280 . 4.480 2.640 2.029 3.285 . 0 0 "[ . 1 . 2]" 1
354 1 30 LEU H 1 30 LEU HG 3.990 . 4.190 3.158 2.279 4.040 . 0 0 "[ . 1 . 2]" 1
355 1 30 LEU HA 1 30 LEU MD1 4.520 . 4.720 3.077 2.100 3.785 . 0 0 "[ . 1 . 2]" 1
356 1 30 LEU HA 1 30 LEU QD 3.000 . 3.200 2.148 1.943 2.600 . 0 0 "[ . 1 . 2]" 1
357 1 30 LEU HA 1 30 LEU MD2 4.520 . 4.720 2.443 2.090 3.685 . 0 0 "[ . 1 . 2]" 1
358 1 30 LEU QB 1 31 LYS H 3.960 . 4.160 2.646 2.534 2.701 . 0 0 "[ . 1 . 2]" 1
359 1 30 LEU QD 1 36 TYR HD1 4.090 . 4.290 3.854 3.059 4.251 . 0 0 "[ . 1 . 2]" 1
360 1 30 LEU QD 1 36 TYR HE1 3.480 . 3.680 2.881 2.107 3.650 . 0 0 "[ . 1 . 2]" 1
361 1 30 LEU MD1 1 36 TYR HE1 4.160 . 4.360 3.941 2.256 4.373 0.013 9 0 "[ . 1 . 2]" 1
362 1 30 LEU MD2 1 36 TYR HE1 4.160 . 4.360 3.235 2.113 4.368 0.008 2 0 "[ . 1 . 2]" 1
363 1 31 LYS H 1 31 LYS QB 3.220 . 3.420 2.284 2.226 2.407 . 0 0 "[ . 1 . 2]" 1
364 1 31 LYS H 1 31 LYS QD 5.100 . 5.300 4.269 3.651 4.558 . 0 0 "[ . 1 . 2]" 1
365 1 31 LYS H 1 31 LYS HG2 5.160 . 5.360 4.219 2.208 4.599 . 0 0 "[ . 1 . 2]" 1
366 1 31 LYS H 1 31 LYS QG 4.410 . 4.610 3.618 2.186 4.013 . 0 0 "[ . 1 . 2]" 1
367 1 31 LYS H 1 31 LYS HG3 5.160 . 5.360 4.058 2.267 4.607 . 0 0 "[ . 1 . 2]" 1
368 1 31 LYS H 1 32 SER H 3.820 . 4.020 2.658 2.601 2.700 . 0 0 "[ . 1 . 2]" 1
369 1 31 LYS HA 1 31 LYS QD 4.720 . 4.920 3.745 2.186 3.973 . 0 0 "[ . 1 . 2]" 1
370 1 31 LYS HA 1 31 LYS HG2 4.190 . 4.390 2.934 2.314 3.758 . 0 0 "[ . 1 . 2]" 1
371 1 31 LYS HA 1 31 LYS QG 3.610 . 3.810 2.381 2.281 2.876 . 0 0 "[ . 1 . 2]" 1
372 1 31 LYS HA 1 31 LYS HG3 4.190 . 4.390 2.648 2.398 3.729 . 0 0 "[ . 1 . 2]" 1
373 1 31 LYS QB 1 32 SER H 4.080 . 4.280 2.492 2.456 2.553 . 0 0 "[ . 1 . 2]" 1
374 1 32 SER H 1 32 SER QB 3.370 . 3.570 2.400 2.209 2.574 . 0 0 "[ . 1 . 2]" 1
375 1 32 SER H 1 33 GLY HA2 5.190 . 5.390 4.923 4.826 5.008 . 0 0 "[ . 1 . 2]" 1
376 1 32 SER H 1 33 GLY QA 4.560 . 4.760 4.514 4.432 4.591 . 0 0 "[ . 1 . 2]" 1
377 1 32 SER H 1 33 GLY HA3 5.190 . 5.390 5.245 5.163 5.333 . 0 0 "[ . 1 . 2]" 1
378 1 32 SER QB 1 33 GLY H 3.950 . 4.150 2.880 2.479 3.635 . 0 0 "[ . 1 . 2]" 1
379 1 32 SER HB2 1 33 GLY H 4.520 . 4.720 3.470 2.592 4.109 . 0 0 "[ . 1 . 2]" 1
380 1 32 SER HB3 1 33 GLY H 4.520 . 4.720 3.431 2.510 4.156 . 0 0 "[ . 1 . 2]" 1
381 1 33 GLY H 1 34 ALA H 3.570 . 3.770 2.238 2.027 2.422 . 0 0 "[ . 1 . 2]" 1
382 1 33 GLY H 1 34 ALA MB 5.460 . 5.660 3.885 3.689 4.076 . 0 0 "[ . 1 . 2]" 1
383 1 34 ALA H 1 34 ALA MB 3.300 . 3.500 2.172 2.102 2.255 . 0 0 "[ . 1 . 2]" 1
384 1 34 ALA HA 1 35 THR H 3.200 . 3.400 2.461 2.277 2.723 . 0 0 "[ . 1 . 2]" 1
385 1 34 ALA HA 1 35 THR MG 4.670 . 4.870 3.398 3.201 3.829 . 0 0 "[ . 1 . 2]" 1
386 1 34 ALA MB 1 35 THR H 3.550 . 3.750 2.311 1.766 2.797 . 0 0 "[ . 1 . 2]" 1
387 1 34 ALA MB 1 38 GLN H 5.210 . 5.410 4.939 4.661 5.152 . 0 0 "[ . 1 . 2]" 1
388 1 34 ALA MB 1 38 GLN QB 4.390 . 4.590 3.064 2.634 3.359 . 0 0 "[ . 1 . 2]" 1
389 1 34 ALA MB 1 39 ILE H 4.770 . 4.970 3.888 3.711 4.018 . 0 0 "[ . 1 . 2]" 1
390 1 34 ALA MB 1 39 ILE HA 4.760 . 4.960 4.231 4.049 4.386 . 0 0 "[ . 1 . 2]" 1
391 1 34 ALA MB 1 39 ILE HB 5.320 . 5.520 4.567 4.471 4.698 . 0 0 "[ . 1 . 2]" 1
392 1 34 ALA MB 1 39 ILE MD 3.390 . 3.590 2.372 2.114 2.864 . 0 0 "[ . 1 . 2]" 1
393 1 34 ALA MB 1 39 ILE QG 3.120 . 3.320 2.269 2.151 2.373 . 0 0 "[ . 1 . 2]" 1
394 1 34 ALA MB 1 42 TRP HE3 5.090 . 5.290 4.587 4.226 4.773 . 0 0 "[ . 1 . 2]" 1
395 1 34 ALA MB 1 42 TRP HH2 3.610 . 3.810 2.663 2.336 3.441 . 0 0 "[ . 1 . 2]" 1
396 1 34 ALA MB 1 42 TRP HZ2 5.500 . 5.700 4.469 4.229 5.027 . 0 0 "[ . 1 . 2]" 1
397 1 34 ALA MB 1 42 TRP HZ3 3.420 . 3.620 2.872 2.485 3.585 . 0 0 "[ . 1 . 2]" 1
398 1 35 THR H 1 35 THR MG 4.050 . 4.250 2.271 1.806 2.634 . 0 0 "[ . 1 . 2]" 1
399 1 35 THR H 1 38 GLN H 5.360 . 5.560 4.106 3.838 4.437 . 0 0 "[ . 1 . 2]" 1
400 1 35 THR H 1 38 GLN HB2 4.610 . 4.810 3.790 3.360 4.158 . 0 0 "[ . 1 . 2]" 1
401 1 35 THR H 1 38 GLN QB 4.050 . 4.250 2.700 2.506 3.126 . 0 0 "[ . 1 . 2]" 1
402 1 35 THR H 1 38 GLN HB3 4.610 . 4.810 2.767 2.545 3.231 . 0 0 "[ . 1 . 2]" 1
403 1 35 THR H 1 38 GLN QG 5.340 . 5.540 4.454 4.132 4.891 . 0 0 "[ . 1 . 2]" 1
404 1 35 THR H 1 39 ILE QG 4.830 . 5.030 3.668 3.185 4.230 . 0 0 "[ . 1 . 2]" 1
405 1 35 THR HA 1 35 THR MG 3.190 . 3.390 2.391 2.210 2.513 . 0 0 "[ . 1 . 2]" 1
406 1 35 THR HA 1 36 TYR H 3.190 . 3.390 2.290 2.186 2.376 . 0 0 "[ . 1 . 2]" 1
407 1 35 THR HB 1 36 TYR H 3.530 . 3.730 2.750 2.495 3.007 . 0 0 "[ . 1 . 2]" 1
408 1 35 THR HB 1 37 GLU H 3.940 . 4.140 2.988 2.564 3.298 . 0 0 "[ . 1 . 2]" 1
409 1 35 THR MG 1 36 TYR H 4.580 . 4.780 3.864 3.516 4.087 . 0 0 "[ . 1 . 2]" 1
410 1 36 TYR H 1 36 TYR QB 3.470 . 3.670 2.603 2.539 2.710 . 0 0 "[ . 1 . 2]" 1
411 1 36 TYR H 1 36 TYR HD1 4.170 . 4.370 3.463 2.473 3.780 . 0 0 "[ . 1 . 2]" 1
412 1 36 TYR H 1 36 TYR HD2 4.410 . 4.610 3.140 2.948 3.783 . 0 0 "[ . 1 . 2]" 1
413 1 36 TYR H 1 37 GLU H 3.970 . 4.170 2.700 2.601 2.782 . 0 0 "[ . 1 . 2]" 1
414 1 36 TYR HA 1 36 TYR HD1 3.420 . 3.620 2.279 2.247 2.305 . 0 0 "[ . 1 . 2]" 1
415 1 36 TYR HA 1 36 TYR HE1 4.770 . 4.970 4.618 4.561 4.729 . 0 0 "[ . 1 . 2]" 1
416 1 36 TYR HA 1 39 ILE H 4.850 . 5.050 3.613 3.523 3.683 . 0 0 "[ . 1 . 2]" 1
417 1 36 TYR HA 1 39 ILE HB 3.910 . 4.110 2.755 2.602 2.929 . 0 0 "[ . 1 . 2]" 1
418 1 36 TYR HA 1 39 ILE MD 4.190 . 4.390 2.245 2.225 2.309 . 0 0 "[ . 1 . 2]" 1
419 1 36 TYR QB 1 37 GLU H 3.870 . 4.070 2.536 2.466 2.624 . 0 0 "[ . 1 . 2]" 1
420 1 37 GLU H 1 37 GLU QB 3.450 . 3.650 2.332 2.223 2.776 . 0 0 "[ . 1 . 2]" 1
421 1 37 GLU H 1 38 GLN H 3.940 . 4.140 2.768 2.696 2.835 . 0 0 "[ . 1 . 2]" 1
422 1 37 GLU HA 1 37 GLU QG 3.550 . 3.750 2.433 2.299 3.274 . 0 0 "[ . 1 . 2]" 1
423 1 37 GLU HA 1 40 LYS H 4.370 . 4.570 3.558 3.501 3.606 . 0 0 "[ . 1 . 2]" 1
424 1 37 GLU HA 1 40 LYS HB3 4.840 . 5.040 4.565 4.440 4.657 . 0 0 "[ . 1 . 2]" 1
425 1 37 GLU QB 1 38 GLN H 3.950 . 4.150 2.432 2.261 3.137 . 0 0 "[ . 1 . 2]" 1
426 1 37 GLU QG 1 38 GLN H 4.950 . 5.150 3.453 1.735 4.096 . 0 0 "[ . 1 . 2]" 1
427 1 38 GLN H 1 38 GLN HB2 4.040 . 4.240 2.500 2.364 2.593 . 0 0 "[ . 1 . 2]" 1
428 1 38 GLN H 1 38 GLN QB 3.310 . 3.510 2.227 2.190 2.271 . 0 0 "[ . 1 . 2]" 1
429 1 38 GLN H 1 38 GLN HB3 4.040 . 4.240 2.508 2.389 2.620 . 0 0 "[ . 1 . 2]" 1
430 1 38 GLN H 1 38 GLN QG 4.580 . 4.780 3.933 3.900 3.967 . 0 0 "[ . 1 . 2]" 1
431 1 38 GLN H 1 39 ILE H 3.900 . 4.100 2.739 2.660 2.791 . 0 0 "[ . 1 . 2]" 1
432 1 38 GLN HA 1 38 GLN HG2 4.210 . 4.410 3.096 2.933 3.254 . 0 0 "[ . 1 . 2]" 1
433 1 38 GLN HA 1 38 GLN QG 3.370 . 3.570 2.381 2.332 2.443 . 0 0 "[ . 1 . 2]" 1
434 1 38 GLN HA 1 38 GLN HG3 4.210 . 4.410 2.477 2.437 2.527 . 0 0 "[ . 1 . 2]" 1
435 1 38 GLN HA 1 41 GLU H 4.520 . 4.720 3.494 3.451 3.532 . 0 0 "[ . 1 . 2]" 1
436 1 38 GLN HA 1 41 GLU HA 5.200 . 5.400 5.197 5.148 5.283 . 0 0 "[ . 1 . 2]" 1
437 1 38 GLN HA 1 41 GLU QB 3.540 . 3.740 2.498 2.452 2.560 . 0 0 "[ . 1 . 2]" 1
438 1 38 GLN HA 1 42 TRP H 5.470 . 5.670 4.164 4.114 4.207 . 0 0 "[ . 1 . 2]" 1
439 1 38 GLN QB 1 39 ILE H 4.410 . 4.610 2.588 2.527 2.640 . 0 0 "[ . 1 . 2]" 1
440 1 38 GLN HB2 1 41 GLU H 5.500 . 5.700 5.711 5.690 5.724 0.024 7 0 "[ . 1 . 2]" 1
441 1 38 GLN HB3 1 41 GLU H 5.500 . 5.700 5.507 5.453 5.542 . 0 0 "[ . 1 . 2]" 1
442 1 38 GLN QG 1 41 GLU H 4.740 . 4.940 4.753 4.710 4.796 . 0 0 "[ . 1 . 2]" 1
443 1 38 GLN QG 1 42 TRP HD1 4.770 . 4.970 4.325 3.874 4.575 . 0 0 "[ . 1 . 2]" 1
444 1 38 GLN QG 1 42 TRP HE3 5.030 . 5.230 3.961 3.477 4.199 . 0 0 "[ . 1 . 2]" 1
445 1 38 GLN QG 1 42 TRP HZ2 4.980 . 5.180 2.839 2.757 2.962 . 0 0 "[ . 1 . 2]" 1
446 1 38 GLN HG2 1 41 GLU H 5.500 . 5.700 5.270 5.170 5.381 . 0 0 "[ . 1 . 2]" 1
447 1 38 GLN HG2 1 42 TRP HD1 5.500 . 5.700 4.899 4.673 5.230 . 0 0 "[ . 1 . 2]" 1
448 1 38 GLN HG3 1 41 GLU H 5.500 . 5.700 5.413 5.297 5.574 . 0 0 "[ . 1 . 2]" 1
449 1 38 GLN HG3 1 42 TRP HD1 5.500 . 5.700 4.841 4.118 5.157 . 0 0 "[ . 1 . 2]" 1
450 1 39 ILE H 1 39 ILE HB 3.290 . 3.490 2.437 2.376 2.556 . 0 0 "[ . 1 . 2]" 1
451 1 39 ILE H 1 39 ILE QG 3.160 . 3.360 2.159 2.065 2.257 . 0 0 "[ . 1 . 2]" 1
452 1 39 ILE H 1 39 ILE MG 3.810 . 4.010 3.734 3.693 3.775 . 0 0 "[ . 1 . 2]" 1
453 1 39 ILE H 1 40 LYS H 3.950 . 4.150 2.845 2.787 2.905 . 0 0 "[ . 1 . 2]" 1
454 1 39 ILE H 1 40 LYS QG 5.400 . 5.600 4.235 4.092 4.289 . 0 0 "[ . 1 . 2]" 1
455 1 39 ILE HA 1 39 ILE MD 4.450 . 4.650 3.812 3.788 3.861 . 0 0 "[ . 1 . 2]" 1
456 1 39 ILE HA 1 39 ILE HG12 3.750 . 3.950 2.592 2.494 2.719 . 0 0 "[ . 1 . 2]" 1
457 1 39 ILE HA 1 39 ILE QG 3.170 . 3.370 2.359 2.329 2.430 . 0 0 "[ . 1 . 2]" 1
458 1 39 ILE HA 1 39 ILE HG13 3.750 . 3.950 2.717 2.682 2.792 . 0 0 "[ . 1 . 2]" 1
459 1 39 ILE HA 1 39 ILE MG 3.360 . 3.560 2.381 2.323 2.412 . 0 0 "[ . 1 . 2]" 1
460 1 39 ILE HA 1 42 TRP H 4.530 . 4.730 3.531 3.395 3.659 . 0 0 "[ . 1 . 2]" 1
461 1 39 ILE HA 1 42 TRP HB2 3.850 . 4.050 3.196 3.066 3.321 . 0 0 "[ . 1 . 2]" 1
462 1 39 ILE HA 1 42 TRP HE3 3.660 . 3.860 2.471 2.282 3.666 . 0 0 "[ . 1 . 2]" 1
463 1 39 ILE MD 1 39 ILE MG 3.410 . 3.610 2.046 1.842 2.228 . 0 0 "[ . 1 . 2]" 1
464 1 39 ILE QG 1 40 LYS H 5.130 . 5.330 4.211 4.161 4.255 . 0 0 "[ . 1 . 2]" 1
465 1 39 ILE QG 1 42 TRP HE3 4.360 . 4.560 3.376 3.227 4.370 . 0 0 "[ . 1 . 2]" 1
466 1 39 ILE MG 1 40 LYS HA 3.750 . 3.950 3.328 3.194 3.526 . 0 0 "[ . 1 . 2]" 1
467 1 39 ILE MG 1 43 ILE H 5.500 . 5.700 4.142 3.993 4.210 . 0 0 "[ . 1 . 2]" 1
468 1 39 ILE MG 1 43 ILE MD 2.640 . 2.840 2.144 2.040 2.244 . 0 0 "[ . 1 . 2]" 1
469 1 39 ILE MG 1 43 ILE HG12 5.490 . 5.690 4.032 3.857 4.124 . 0 0 "[ . 1 . 2]" 1
470 1 39 ILE MG 1 43 ILE QG 4.800 . 5.000 2.975 2.753 3.096 . 0 0 "[ . 1 . 2]" 1
471 1 39 ILE MG 1 43 ILE HG13 5.490 . 5.690 3.063 2.818 3.200 . 0 0 "[ . 1 . 2]" 1
472 1 40 LYS H 1 40 LYS HB2 3.770 . 3.970 3.756 3.722 3.781 . 0 0 "[ . 1 . 2]" 1
473 1 40 LYS H 1 40 LYS HB3 3.390 . 3.590 2.896 2.816 2.956 . 0 0 "[ . 1 . 2]" 1
474 1 40 LYS H 1 40 LYS QD 5.340 . 5.540 4.073 3.973 4.134 . 0 0 "[ . 1 . 2]" 1
475 1 40 LYS H 1 40 LYS QG 4.030 . 4.230 2.148 2.051 2.231 . 0 0 "[ . 1 . 2]" 1
476 1 40 LYS H 1 41 GLU H 3.920 . 4.120 2.555 2.511 2.614 . 0 0 "[ . 1 . 2]" 1
477 1 40 LYS H 1 43 ILE HB 5.500 . 5.700 5.014 4.964 5.064 . 0 0 "[ . 1 . 2]" 1
478 1 40 LYS HA 1 41 GLU HA 4.970 . 5.170 4.817 4.785 4.843 . 0 0 "[ . 1 . 2]" 1
479 1 40 LYS HA 1 43 ILE H 4.790 . 4.990 3.195 3.146 3.257 . 0 0 "[ . 1 . 2]" 1
480 1 40 LYS HA 1 43 ILE HB 4.000 . 4.200 2.290 2.255 2.315 . 0 0 "[ . 1 . 2]" 1
481 1 40 LYS HA 1 43 ILE MD 4.390 . 4.590 2.270 2.224 2.377 . 0 0 "[ . 1 . 2]" 1
482 1 40 LYS HA 1 44 GLU H 4.440 . 4.640 3.804 3.717 3.838 . 0 0 "[ . 1 . 2]" 1
483 1 40 LYS HB2 1 41 GLU HA 4.440 . 4.640 4.362 4.306 4.441 . 0 0 "[ . 1 . 2]" 1
484 1 40 LYS HB2 1 44 GLU H 4.030 . 4.230 4.182 4.130 4.223 . 0 0 "[ . 1 . 2]" 1
485 1 40 LYS HB2 1 44 GLU HB3 3.630 . 3.830 3.872 3.852 3.883 0.053 10 0 "[ . 1 . 2]" 1
486 1 40 LYS HB2 1 44 GLU HG2 3.720 . 3.920 3.934 3.914 3.945 0.025 20 0 "[ . 1 . 2]" 1
487 1 40 LYS HB3 1 41 GLU H 4.280 . 4.480 4.131 4.060 4.194 . 0 0 "[ . 1 . 2]" 1
488 1 40 LYS QG 1 41 GLU H 4.640 . 4.840 2.147 2.027 2.215 . 0 0 "[ . 1 . 2]" 1
489 1 40 LYS QG 1 44 GLU HG3 5.220 . 5.420 5.274 4.285 5.443 0.023 13 0 "[ . 1 . 2]" 1
490 1 41 GLU H 1 41 GLU QB 3.130 . 3.330 2.253 2.231 2.273 . 0 0 "[ . 1 . 2]" 1
491 1 41 GLU H 1 41 GLU QG 4.390 . 4.590 3.958 3.926 4.053 . 0 0 "[ . 1 . 2]" 1
492 1 41 GLU H 1 42 TRP H 3.690 . 3.890 2.824 2.775 2.864 . 0 0 "[ . 1 . 2]" 1
493 1 41 GLU H 1 44 GLU HG2 4.540 . 4.740 4.441 4.394 4.634 . 0 0 "[ . 1 . 2]" 1
494 1 41 GLU HA 1 42 TRP HA 4.750 . 4.950 4.785 4.699 4.819 . 0 0 "[ . 1 . 2]" 1
495 1 41 GLU HA 1 44 GLU H 4.670 . 4.870 3.636 3.587 3.689 . 0 0 "[ . 1 . 2]" 1
496 1 41 GLU HA 1 44 GLU HB3 4.390 . 4.590 4.286 4.245 4.399 . 0 0 "[ . 1 . 2]" 1
497 1 41 GLU HA 1 45 ASN H 4.710 . 4.910 4.076 4.046 4.126 . 0 0 "[ . 1 . 2]" 1
498 1 41 GLU QB 1 42 TRP H 3.640 . 3.840 2.380 2.331 2.413 . 0 0 "[ . 1 . 2]" 1
499 1 41 GLU QB 1 42 TRP HD1 4.140 . 4.340 4.035 2.876 4.283 . 0 0 "[ . 1 . 2]" 1
500 1 41 GLU QB 1 44 GLU HG3 4.440 . 4.640 4.639 4.287 4.671 0.031 5 0 "[ . 1 . 2]" 1
501 1 41 GLU QG 1 42 TRP HD1 5.040 . 5.240 3.660 2.807 3.813 . 0 0 "[ . 1 . 2]" 1
502 1 42 TRP H 1 42 TRP HB2 3.330 . 3.530 2.499 2.442 2.546 . 0 0 "[ . 1 . 2]" 1
503 1 42 TRP H 1 42 TRP HD1 4.080 . 4.280 3.553 2.703 3.804 . 0 0 "[ . 1 . 2]" 1
504 1 42 TRP H 1 43 ILE H 3.810 . 4.010 2.661 2.627 2.699 . 0 0 "[ . 1 . 2]" 1
505 1 42 TRP H 1 43 ILE HB 5.280 . 5.480 4.758 4.721 4.796 . 0 0 "[ . 1 . 2]" 1
506 1 42 TRP HA 1 42 TRP HD1 3.240 . 3.440 2.253 2.235 2.271 . 0 0 "[ . 1 . 2]" 1
507 1 42 TRP HA 1 45 ASN H 4.690 . 4.890 3.647 3.524 3.700 . 0 0 "[ . 1 . 2]" 1
508 1 42 TRP HB2 1 42 TRP HE3 3.580 . 3.780 2.531 2.466 2.844 . 0 0 "[ . 1 . 2]" 1
509 1 42 TRP HB2 1 43 ILE H 4.080 . 4.280 2.497 2.378 2.655 . 0 0 "[ . 1 . 2]" 1
510 1 42 TRP HB2 1 44 GLU H 5.480 . 5.680 5.149 5.044 5.256 . 0 0 "[ . 1 . 2]" 1
511 1 42 TRP HB3 1 42 TRP HD1 3.870 . 4.070 3.305 3.223 3.582 . 0 0 "[ . 1 . 2]" 1
512 1 43 ILE H 1 43 ILE HB 3.530 . 3.730 2.411 2.381 2.440 . 0 0 "[ . 1 . 2]" 1
513 1 43 ILE H 1 43 ILE MD 4.330 . 4.530 3.424 3.335 3.492 . 0 0 "[ . 1 . 2]" 1
514 1 43 ILE H 1 43 ILE QG 4.120 . 4.320 2.211 2.148 2.284 . 0 0 "[ . 1 . 2]" 1
515 1 43 ILE H 1 44 GLU H 3.660 . 3.860 2.820 2.794 2.854 . 0 0 "[ . 1 . 2]" 1
516 1 43 ILE HA 1 43 ILE MD 4.560 . 4.760 3.795 3.770 3.823 . 0 0 "[ . 1 . 2]" 1
517 1 43 ILE HA 1 43 ILE HG12 4.080 . 4.280 2.512 2.449 2.573 . 0 0 "[ . 1 . 2]" 1
518 1 43 ILE HA 1 43 ILE QG 3.570 . 3.770 2.340 2.297 2.370 . 0 0 "[ . 1 . 2]" 1
519 1 43 ILE HA 1 43 ILE HG13 4.080 . 4.280 2.792 2.743 2.826 . 0 0 "[ . 1 . 2]" 1
520 1 43 ILE HA 1 43 ILE MG 3.500 . 3.700 2.410 2.375 2.446 . 0 0 "[ . 1 . 2]" 1
521 1 43 ILE HA 1 46 ALA MB 3.480 . 3.680 2.886 2.719 3.024 . 0 0 "[ . 1 . 2]" 1
522 1 43 ILE HA 1 47 LEU H 4.780 . 4.980 4.143 4.063 4.221 . 0 0 "[ . 1 . 2]" 1
523 1 43 ILE HB 1 44 GLU H 3.920 . 4.120 2.580 2.534 2.635 . 0 0 "[ . 1 . 2]" 1
524 1 43 ILE HB 1 45 ASN H 5.500 . 5.700 4.993 4.941 5.042 . 0 0 "[ . 1 . 2]" 1
525 1 43 ILE MD 1 43 ILE MG 3.210 . 3.410 1.796 1.756 1.852 . 0 0 "[ . 1 . 2]" 1
526 1 43 ILE MG 1 47 LEU QD 3.740 . 3.940 3.244 2.242 3.485 . 0 0 "[ . 1 . 2]" 1
527 1 43 ILE MG 1 47 LEU HG 4.800 . 5.000 4.765 4.516 4.945 . 0 0 "[ . 1 . 2]" 1
528 1 44 GLU H 1 44 GLU HB3 3.590 . 3.790 2.553 2.470 2.668 . 0 0 "[ . 1 . 2]" 1
529 1 44 GLU H 1 44 GLU HG2 4.100 . 4.300 2.892 2.832 3.252 . 0 0 "[ . 1 . 2]" 1
530 1 44 GLU H 1 44 GLU HG3 3.520 . 3.720 2.544 1.933 2.614 . 0 0 "[ . 1 . 2]" 1
531 1 44 GLU H 1 45 ASN QB 4.520 . 4.720 4.457 4.394 4.602 . 0 0 "[ . 1 . 2]" 1
532 1 44 GLU HA 1 44 GLU HG3 4.200 . 4.400 3.591 3.570 3.603 . 0 0 "[ . 1 . 2]" 1
533 1 44 GLU HA 1 47 LEU H 4.510 . 4.710 3.262 3.223 3.327 . 0 0 "[ . 1 . 2]" 1
534 1 44 GLU HA 1 47 LEU HB2 3.980 . 4.180 2.691 2.314 2.874 . 0 0 "[ . 1 . 2]" 1
535 1 44 GLU HA 1 47 LEU HB3 4.600 . 4.800 2.909 2.778 3.509 . 0 0 "[ . 1 . 2]" 1
536 1 44 GLU HB2 1 45 ASN H 4.400 . 4.600 4.053 3.962 4.101 . 0 0 "[ . 1 . 2]" 1
537 1 44 GLU HB3 1 45 ASN H 4.020 . 4.220 4.128 4.091 4.234 0.014 6 0 "[ . 1 . 2]" 1
538 1 44 GLU HG2 1 45 ASN H 4.680 . 4.880 3.704 3.625 4.091 . 0 0 "[ . 1 . 2]" 1
539 1 44 GLU HG3 1 45 ASN H 4.080 . 4.280 2.091 2.038 2.529 . 0 0 "[ . 1 . 2]" 1
540 1 45 ASN H 1 45 ASN HB2 3.920 . 4.120 2.514 2.282 2.604 . 0 0 "[ . 1 . 2]" 1
541 1 45 ASN H 1 45 ASN QB 3.290 . 3.490 2.252 2.232 2.282 . 0 0 "[ . 1 . 2]" 1
542 1 45 ASN H 1 45 ASN HB3 3.920 . 4.120 2.696 2.439 3.559 . 0 0 "[ . 1 . 2]" 1
543 1 45 ASN H 1 46 ALA H 3.930 . 4.130 2.680 2.655 2.705 . 0 0 "[ . 1 . 2]" 1
544 1 45 ASN HA 1 48 GLY H 4.990 . 5.190 3.534 3.458 3.585 . 0 0 "[ . 1 . 2]" 1
545 1 45 ASN QB 1 46 ALA H 3.540 . 3.740 2.556 2.474 2.610 . 0 0 "[ . 1 . 2]" 1
546 1 45 ASN QB 1 47 LEU H 5.030 . 5.230 4.726 4.658 4.774 . 0 0 "[ . 1 . 2]" 1
547 1 45 ASN HB2 1 46 ALA H 4.300 . 4.500 3.660 2.651 3.939 . 0 0 "[ . 1 . 2]" 1
548 1 45 ASN HB3 1 46 ALA H 4.300 . 4.500 2.756 2.505 3.471 . 0 0 "[ . 1 . 2]" 1
549 1 46 ALA H 1 46 ALA MB 3.270 . 3.470 2.227 2.197 2.261 . 0 0 "[ . 1 . 2]" 1
550 1 46 ALA H 1 47 LEU HB2 4.410 . 4.610 4.577 4.312 4.627 0.017 14 0 "[ . 1 . 2]" 1
551 1 46 ALA H 1 47 LEU HB3 5.500 . 5.700 5.177 5.070 5.728 0.028 16 0 "[ . 1 . 2]" 1
552 1 46 ALA MB 1 47 LEU H 3.540 . 3.740 2.480 2.407 2.552 . 0 0 "[ . 1 . 2]" 1
553 1 47 LEU H 1 47 LEU HB2 3.270 . 3.470 2.167 2.003 2.225 . 0 0 "[ . 1 . 2]" 1
554 1 47 LEU HB2 1 48 GLY H 4.480 . 4.680 3.528 3.001 3.639 . 0 0 "[ . 1 . 2]" 1
555 1 47 LEU HB3 1 48 GLY H 4.310 . 4.510 2.548 2.464 2.938 . 0 0 "[ . 1 . 2]" 1
556 1 48 GLY H 1 49 TRP H 3.470 . 3.670 2.683 2.639 2.794 . 0 0 "[ . 1 . 2]" 1
557 1 49 TRP H 1 49 TRP HB2 4.190 . 4.390 3.192 2.361 4.058 . 0 0 "[ . 1 . 2]" 1
558 1 49 TRP H 1 49 TRP QB 3.400 . 3.600 2.699 2.217 3.310 . 0 0 "[ . 1 . 2]" 1
559 1 49 TRP H 1 49 TRP HB3 4.190 . 4.390 3.086 2.358 3.744 . 0 0 "[ . 1 . 2]" 1
560 1 49 TRP H 1 49 TRP HD1 5.080 . 5.280 3.892 2.463 5.050 . 0 0 "[ . 1 . 2]" 1
561 1 49 TRP H 1 50 ARG H 4.420 . 4.620 3.428 2.554 4.585 . 0 0 "[ . 1 . 2]" 1
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