NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
413415 |
2cpb   |
4197 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_2cpb
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 3090
_Distance_constraint_stats_list.Viol_total 5931.255
_Distance_constraint_stats_list.Viol_max 0.498
_Distance_constraint_stats_list.Viol_rms 0.0449
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0169
_Distance_constraint_stats_list.Viol_average_violations_only 0.0768
_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 GLU 1.257 0.120 15 0 "[ . 1 . 2 .]"
1 3 GLY 6.317 0.330 24 0 "[ . 1 . 2 .]"
1 4 ASP 8.677 0.291 24 0 "[ . 1 . 2 .]"
1 5 ASP 9.982 0.258 16 0 "[ . 1 . 2 .]"
1 6 PRO 8.704 0.291 24 0 "[ . 1 . 2 .]"
1 7 ALA 4.989 0.206 23 0 "[ . 1 . 2 .]"
1 8 LYS 4.854 0.289 15 0 "[ . 1 . 2 .]"
1 9 ALA 0.745 0.289 15 0 "[ . 1 . 2 .]"
1 10 ALA 1.462 0.105 9 0 "[ . 1 . 2 .]"
1 11 PHE 6.089 0.278 8 0 "[ . 1 . 2 .]"
1 12 ASN 2.548 0.126 19 0 "[ . 1 . 2 .]"
1 13 SER 4.743 0.126 19 0 "[ . 1 . 2 .]"
1 14 LEU 13.765 0.207 7 0 "[ . 1 . 2 .]"
1 15 GLN 5.893 0.207 7 0 "[ . 1 . 2 .]"
1 16 ALA 2.816 0.111 2 0 "[ . 1 . 2 .]"
1 17 SER 1.285 0.076 2 0 "[ . 1 . 2 .]"
1 18 ALA 0.528 0.072 19 0 "[ . 1 . 2 .]"
1 19 THR 3.957 0.174 21 0 "[ . 1 . 2 .]"
1 20 GLU 13.092 0.294 25 0 "[ . 1 . 2 .]"
1 21 TYR 3.661 0.183 13 0 "[ . 1 . 2 .]"
1 22 ILE 24.705 0.367 21 0 "[ . 1 . 2 .]"
1 23 GLY 0.709 0.121 20 0 "[ . 1 . 2 .]"
1 24 TYR 6.490 0.357 18 0 "[ . 1 . 2 .]"
1 25 ALA 4.778 0.141 5 0 "[ . 1 . 2 .]"
1 26 TRP 7.115 0.269 12 0 "[ . 1 . 2 .]"
1 27 ALA 2.667 0.357 18 0 "[ . 1 . 2 .]"
1 28 MET 13.927 0.206 17 0 "[ . 1 . 2 .]"
1 29 VAL 1.374 0.053 19 0 "[ . 1 . 2 .]"
1 30 VAL 4.860 0.120 12 0 "[ . 1 . 2 .]"
1 31 VAL 8.409 0.213 5 0 "[ . 1 . 2 .]"
1 32 ILE 10.005 0.213 5 0 "[ . 1 . 2 .]"
1 33 VAL 8.347 0.165 8 0 "[ . 1 . 2 .]"
1 34 GLY 0.291 0.062 12 0 "[ . 1 . 2 .]"
1 35 ALA 0.125 0.038 15 0 "[ . 1 . 2 .]"
1 36 THR 0.849 0.058 19 0 "[ . 1 . 2 .]"
1 37 ILE 16.101 0.276 25 0 "[ . 1 . 2 .]"
1 38 GLY 2.974 0.213 5 0 "[ . 1 . 2 .]"
1 39 ILE 3.415 0.142 9 0 "[ . 1 . 2 .]"
1 40 LYS 0.901 0.243 10 0 "[ . 1 . 2 .]"
1 41 LEU 14.940 0.230 5 0 "[ . 1 . 2 .]"
1 42 PHE 8.365 0.230 5 0 "[ . 1 . 2 .]"
1 43 LYS 18.937 0.498 14 0 "[ . 1 . 2 .]"
1 44 LYS 12.279 0.308 24 0 "[ . 1 . 2 .]"
1 45 PHE 2.273 0.124 19 0 "[ . 1 . 2 .]"
1 46 THR 2.951 0.247 23 0 "[ . 1 . 2 .]"
1 47 SER 1.272 0.143 16 0 "[ . 1 . 2 .]"
1 48 LYS 12.466 0.493 16 0 "[ . 1 . 2 .]"
1 49 ALA 2.616 0.157 1 0 "[ . 1 . 2 .]"
1 50 SER 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 GLU HA 1 2 GLU HB3 3.070 2.460 3.700 2.561 2.378 3.027 0.082 4 0 "[ . 1 . 2 .]" 1
2 1 2 GLU HA 1 2 GLU QG 4.070 3.260 5.320 3.284 3.140 3.374 0.120 15 0 "[ . 1 . 2 .]" 1
3 1 2 GLU HA 1 3 GLY H 2.250 . 2.700 2.354 2.140 2.794 0.094 24 0 "[ . 1 . 2 .]" 1
4 1 2 GLU HB2 1 2 GLU QG 2.460 . 2.950 2.319 2.153 2.538 . 0 0 "[ . 1 . 2 .]" 1
5 1 2 GLU HB3 1 2 GLU QG 2.210 . 2.650 2.335 2.157 2.542 . 0 0 "[ . 1 . 2 .]" 1
6 1 3 GLY H 1 3 GLY HA2 2.070 . 2.480 2.561 2.267 2.710 0.230 22 0 "[ . 1 . 2 .]" 1
7 1 3 GLY H 1 3 GLY HA3 2.000 . 2.400 2.414 2.282 2.730 0.330 24 0 "[ . 1 . 2 .]" 1
8 1 3 GLY HA2 1 4 ASP H 2.310 . 2.770 2.533 2.200 2.812 0.042 4 0 "[ . 1 . 2 .]" 1
9 1 3 GLY HA3 1 4 ASP H 2.310 . 2.770 2.619 2.335 2.930 0.160 11 0 "[ . 1 . 2 .]" 1
10 1 4 ASP H 1 4 ASP QB 2.000 . 2.400 2.287 2.046 2.662 0.262 24 0 "[ . 1 . 2 .]" 1
11 1 4 ASP HA 1 4 ASP QB 2.400 . 2.880 2.501 2.148 2.536 . 0 0 "[ . 1 . 2 .]" 1
12 1 4 ASP QB 1 6 PRO QD 3.850 3.080 4.940 4.333 2.949 5.231 0.291 24 0 "[ . 1 . 2 .]" 1
13 1 4 ASP QB 1 7 ALA MB 4.120 3.300 5.400 5.559 5.511 5.606 0.206 23 0 "[ . 1 . 2 .]" 1
14 1 5 ASP H 1 5 ASP HA 2.420 . 2.900 2.847 2.759 2.943 0.043 4 0 "[ . 1 . 2 .]" 1
15 1 5 ASP H 1 5 ASP HB3 2.470 . 2.960 3.076 2.994 3.140 0.180 3 0 "[ . 1 . 2 .]" 1
16 1 5 ASP H 1 6 PRO QD 3.060 2.450 3.690 3.365 2.428 3.948 0.258 16 0 "[ . 1 . 2 .]" 1
17 1 5 ASP HA 1 5 ASP HB2 2.550 2.040 3.060 2.552 2.412 2.730 . 0 0 "[ . 1 . 2 .]" 1
18 1 5 ASP HA 1 5 ASP HB3 2.620 2.100 3.140 2.963 2.372 3.019 . 0 0 "[ . 1 . 2 .]" 1
19 1 5 ASP HA 1 6 PRO HA 4.270 3.420 5.670 4.560 4.443 4.751 . 0 0 "[ . 1 . 2 .]" 1
20 1 5 ASP HA 1 6 PRO QD 2.060 . 2.470 2.106 1.890 2.467 . 0 0 "[ . 1 . 2 .]" 1
21 1 5 ASP HA 1 6 PRO QG 3.290 2.630 4.040 3.982 3.814 4.265 0.225 4 0 "[ . 1 . 2 .]" 1
22 1 5 ASP HA 1 8 LYS QB 4.080 3.260 5.340 5.087 4.106 5.437 0.097 24 0 "[ . 1 . 2 .]" 1
23 1 5 ASP HA 1 8 LYS QD 5.780 4.620 8.540 6.642 4.552 7.801 0.068 23 0 "[ . 1 . 2 .]" 1
24 1 5 ASP HB2 1 6 PRO QD 3.630 2.900 4.580 3.898 3.629 4.368 . 0 0 "[ . 1 . 2 .]" 1
25 1 5 ASP HB3 1 6 PRO QD 4.140 3.310 5.440 4.068 3.805 4.295 . 0 0 "[ . 1 . 2 .]" 1
26 1 5 ASP HB3 1 8 LYS H 3.210 2.570 3.920 3.555 3.137 4.082 0.162 15 0 "[ . 1 . 2 .]" 1
27 1 6 PRO HA 1 6 PRO HB2 2.880 2.300 3.460 2.726 2.709 2.739 . 0 0 "[ . 1 . 2 .]" 1
28 1 6 PRO HA 1 6 PRO HB3 2.490 . 2.990 2.283 2.271 2.299 . 0 0 "[ . 1 . 2 .]" 1
29 1 6 PRO HA 1 6 PRO QD 3.780 3.020 4.830 3.311 3.240 3.424 . 0 0 "[ . 1 . 2 .]" 1
30 1 6 PRO HA 1 6 PRO QG 3.110 2.490 3.760 3.489 3.479 3.508 . 0 0 "[ . 1 . 2 .]" 1
31 1 6 PRO HA 1 7 ALA H 3.780 3.020 4.830 3.425 3.388 3.439 . 0 0 "[ . 1 . 2 .]" 1
32 1 6 PRO HB2 1 6 PRO QD 3.010 2.410 3.610 3.538 3.534 3.543 . 0 0 "[ . 1 . 2 .]" 1
33 1 6 PRO HB2 1 6 PRO QG 1.990 . 2.390 2.187 2.180 2.191 . 0 0 "[ . 1 . 2 .]" 1
34 1 6 PRO HB2 1 7 ALA MB 4.340 3.470 5.790 4.773 4.468 4.912 . 0 0 "[ . 1 . 2 .]" 1
35 1 6 PRO HB3 1 6 PRO QD 3.530 2.820 4.420 2.858 2.795 2.982 0.025 24 0 "[ . 1 . 2 .]" 1
36 1 6 PRO HB3 1 6 PRO QG 2.520 2.020 3.020 2.242 2.226 2.252 . 0 0 "[ . 1 . 2 .]" 1
37 1 6 PRO HB3 1 7 ALA MB 4.470 3.580 6.020 5.672 5.469 5.769 . 0 0 "[ . 1 . 2 .]" 1
38 1 6 PRO QD 1 6 PRO QG 2.410 . 2.890 1.976 1.942 1.996 . 0 0 "[ . 1 . 2 .]" 1
39 1 6 PRO QD 1 7 ALA H 3.110 2.490 3.770 2.759 2.483 2.930 0.007 19 0 "[ . 1 . 2 .]" 1
40 1 6 PRO QG 1 7 ALA H 3.410 2.730 4.230 2.834 2.713 3.002 0.017 1 0 "[ . 1 . 2 .]" 1
41 1 6 PRO QG 1 7 ALA MB 4.460 3.570 6.000 3.774 3.472 3.985 0.098 15 0 "[ . 1 . 2 .]" 1
42 1 7 ALA H 1 7 ALA HA 2.940 2.350 3.530 2.826 2.778 2.920 . 0 0 "[ . 1 . 2 .]" 1
43 1 7 ALA H 1 7 ALA MB 2.740 2.190 3.290 2.170 2.117 2.220 0.073 20 0 "[ . 1 . 2 .]" 1
44 1 7 ALA H 1 8 LYS H 2.770 2.220 3.320 2.535 2.193 2.664 0.027 15 0 "[ . 1 . 2 .]" 1
45 1 7 ALA HA 1 8 LYS H 3.170 2.540 3.860 3.486 3.358 3.574 . 0 0 "[ . 1 . 2 .]" 1
46 1 8 LYS H 1 8 LYS HA 2.960 2.370 3.550 2.783 2.342 2.943 0.028 15 0 "[ . 1 . 2 .]" 1
47 1 8 LYS H 1 8 LYS HG2 2.870 2.300 3.440 3.065 2.277 3.353 0.023 23 0 "[ . 1 . 2 .]" 1
48 1 8 LYS H 1 8 LYS HG3 2.870 2.300 3.440 2.649 2.276 3.653 0.213 23 0 "[ . 1 . 2 .]" 1
49 1 8 LYS H 1 9 ALA H 2.940 2.350 3.530 2.691 2.271 3.176 0.079 18 0 "[ . 1 . 2 .]" 1
50 1 8 LYS HA 1 8 LYS QD 3.880 3.100 5.000 3.771 3.030 4.223 0.070 23 0 "[ . 1 . 2 .]" 1
51 1 8 LYS HA 1 8 LYS HG2 4.940 3.950 6.890 4.131 3.743 4.223 0.207 23 0 "[ . 1 . 2 .]" 1
52 1 8 LYS HA 1 9 ALA H 3.410 2.730 4.230 3.422 2.667 3.519 0.063 15 0 "[ . 1 . 2 .]" 1
53 1 8 LYS HA 1 11 PHE HB2 3.590 2.870 4.520 3.427 2.846 4.251 0.024 7 0 "[ . 1 . 2 .]" 1
54 1 8 LYS HA 1 11 PHE HB3 3.430 2.740 4.260 3.408 2.720 4.282 0.022 24 0 "[ . 1 . 2 .]" 1
55 1 8 LYS QB 1 8 LYS QE 3.930 3.140 5.080 3.574 3.025 3.749 0.115 23 0 "[ . 1 . 2 .]" 1
56 1 8 LYS QB 1 9 ALA H 3.050 2.440 3.680 3.602 3.512 3.969 0.289 15 0 "[ . 1 . 2 .]" 1
57 1 8 LYS QD 1 8 LYS HG3 2.290 . 2.750 2.266 2.151 2.381 . 0 0 "[ . 1 . 2 .]" 1
58 1 8 LYS QE 1 8 LYS HG2 3.530 2.820 4.420 2.803 2.724 3.598 0.096 7 0 "[ . 1 . 2 .]" 1
59 1 8 LYS QE 1 8 LYS HG3 3.960 3.170 5.130 3.235 3.082 3.491 0.088 8 0 "[ . 1 . 2 .]" 1
60 1 9 ALA H 1 9 ALA HA 2.840 2.270 3.410 2.831 2.712 2.927 . 0 0 "[ . 1 . 2 .]" 1
61 1 9 ALA H 1 9 ALA MB 2.690 2.150 3.230 2.194 2.099 2.256 0.051 24 0 "[ . 1 . 2 .]" 1
62 1 9 ALA H 1 10 ALA H 3.180 2.540 3.870 2.777 2.509 3.311 0.031 19 0 "[ . 1 . 2 .]" 1
63 1 9 ALA HA 1 9 ALA MB 2.090 . 2.510 2.126 2.098 2.138 . 0 0 "[ . 1 . 2 .]" 1
64 1 9 ALA HA 1 12 ASN HB2 3.200 2.560 3.900 3.660 3.103 3.914 0.014 15 0 "[ . 1 . 2 .]" 1
65 1 9 ALA HA 1 12 ASN HB3 3.180 2.540 3.870 3.472 2.797 3.871 0.001 12 0 "[ . 1 . 2 .]" 1
66 1 9 ALA MB 1 12 ASN HB2 4.390 3.510 5.880 5.045 4.658 5.299 . 0 0 "[ . 1 . 2 .]" 1
67 1 10 ALA H 1 10 ALA HA 2.520 2.020 3.020 2.774 2.708 2.900 . 0 0 "[ . 1 . 2 .]" 1
68 1 10 ALA H 1 10 ALA MB 2.260 . 2.710 2.130 2.029 2.244 . 0 0 "[ . 1 . 2 .]" 1
69 1 10 ALA H 1 11 PHE H 2.580 2.060 3.100 2.783 2.494 2.976 . 0 0 "[ . 1 . 2 .]" 1
70 1 10 ALA HA 1 11 PHE H 3.260 2.610 4.000 3.524 3.473 3.573 . 0 0 "[ . 1 . 2 .]" 1
71 1 10 ALA HA 1 13 SER H 3.950 3.160 5.120 3.425 3.135 3.782 0.025 19 0 "[ . 1 . 2 .]" 1
72 1 10 ALA HA 1 13 SER HB2 2.980 2.380 3.580 3.009 2.301 3.685 0.105 9 0 "[ . 1 . 2 .]" 1
73 1 10 ALA HA 1 13 SER HB3 3.050 2.440 3.670 3.528 2.870 3.773 0.103 16 0 "[ . 1 . 2 .]" 1
74 1 10 ALA MB 1 11 PHE H 2.990 2.390 3.590 2.656 2.380 2.885 0.010 22 0 "[ . 1 . 2 .]" 1
75 1 10 ALA MB 1 11 PHE QD 4.220 3.380 5.580 4.905 3.373 5.218 0.007 7 0 "[ . 1 . 2 .]" 1
76 1 11 PHE H 1 11 PHE HA 2.830 2.260 3.400 2.820 2.768 2.887 . 0 0 "[ . 1 . 2 .]" 1
77 1 11 PHE H 1 11 PHE HB2 2.840 2.270 3.410 2.373 2.150 2.545 0.120 7 0 "[ . 1 . 2 .]" 1
78 1 11 PHE H 1 11 PHE HB3 2.840 2.270 3.410 2.728 2.513 3.452 0.042 24 0 "[ . 1 . 2 .]" 1
79 1 11 PHE H 1 12 ASN H 3.220 2.580 3.930 2.700 2.547 2.934 0.033 25 0 "[ . 1 . 2 .]" 1
80 1 11 PHE HA 1 11 PHE HB2 3.050 2.440 3.680 2.565 2.472 2.955 . 0 0 "[ . 1 . 2 .]" 1
81 1 11 PHE HA 1 11 PHE HB3 3.170 2.540 3.860 2.986 2.712 3.022 . 0 0 "[ . 1 . 2 .]" 1
82 1 11 PHE HA 1 12 ASN H 3.070 2.460 3.710 3.546 3.483 3.569 . 0 0 "[ . 1 . 2 .]" 1
83 1 11 PHE HA 1 14 LEU HB2 3.770 3.020 4.810 3.747 3.002 4.599 0.018 7 0 "[ . 1 . 2 .]" 1
84 1 11 PHE HA 1 14 LEU HB3 3.580 2.860 4.500 3.927 2.842 4.446 0.018 18 0 "[ . 1 . 2 .]" 1
85 1 11 PHE HA 1 14 LEU QD 3.660 2.930 4.630 4.153 3.446 4.627 . 0 0 "[ . 1 . 2 .]" 1
86 1 11 PHE HB2 1 11 PHE QD 3.760 2.760 4.800 2.714 2.663 2.780 0.097 14 0 "[ . 1 . 2 .]" 1
87 1 11 PHE HB2 1 12 ASN H 3.180 2.540 3.870 3.642 2.538 3.877 0.007 18 0 "[ . 1 . 2 .]" 1
88 1 11 PHE HB3 1 11 PHE QD 3.680 2.680 4.670 2.548 2.402 2.619 0.278 8 0 "[ . 1 . 2 .]" 1
89 1 11 PHE HB3 1 12 ASN H 3.180 2.540 3.870 2.551 2.467 2.878 0.073 19 0 "[ . 1 . 2 .]" 1
90 1 11 PHE QD 1 12 ASN HA 5.430 4.340 7.840 4.564 4.323 5.653 0.017 11 0 "[ . 1 . 2 .]" 1
91 1 11 PHE QD 1 14 LEU QD 4.490 3.590 6.060 3.826 3.567 4.741 0.023 21 0 "[ . 1 . 2 .]" 1
92 1 12 ASN H 1 12 ASN HB2 2.780 2.220 3.340 2.321 2.166 2.494 0.054 25 0 "[ . 1 . 2 .]" 1
93 1 12 ASN H 1 12 ASN HB3 2.780 2.220 3.340 2.820 2.572 3.076 . 0 0 "[ . 1 . 2 .]" 1
94 1 12 ASN H 1 13 SER H 3.270 2.620 4.010 2.579 2.494 2.710 0.126 19 0 "[ . 1 . 2 .]" 1
95 1 12 ASN HA 1 12 ASN HB2 2.680 2.140 3.220 2.625 2.489 2.775 . 0 0 "[ . 1 . 2 .]" 1
96 1 12 ASN HA 1 12 ASN HB3 2.680 2.140 3.220 2.983 2.909 3.023 . 0 0 "[ . 1 . 2 .]" 1
97 1 12 ASN HA 1 15 GLN HB2 3.280 2.620 4.030 3.910 3.248 4.054 0.024 2 0 "[ . 1 . 2 .]" 1
98 1 12 ASN HB2 1 13 SER H 3.400 2.720 4.220 3.959 3.561 4.266 0.046 14 0 "[ . 1 . 2 .]" 1
99 1 12 ASN HB3 1 13 SER H 3.400 2.720 4.220 3.213 2.700 3.904 0.020 13 0 "[ . 1 . 2 .]" 1
100 1 13 SER H 1 13 SER HA 3.060 2.450 3.690 2.871 2.766 2.939 . 0 0 "[ . 1 . 2 .]" 1
101 1 13 SER H 1 13 SER HB2 3.060 2.450 3.690 2.779 2.373 3.384 0.077 24 0 "[ . 1 . 2 .]" 1
102 1 13 SER H 1 13 SER HB3 3.060 2.450 3.690 3.250 2.769 3.662 . 0 0 "[ . 1 . 2 .]" 1
103 1 13 SER HA 1 13 SER HB2 2.760 2.210 3.310 2.833 2.596 3.008 . 0 0 "[ . 1 . 2 .]" 1
104 1 13 SER HA 1 13 SER HB3 2.660 2.130 3.190 2.536 2.232 2.988 . 0 0 "[ . 1 . 2 .]" 1
105 1 13 SER HA 1 14 LEU H 3.090 2.470 3.740 3.511 3.448 3.564 . 0 0 "[ . 1 . 2 .]" 1
106 1 13 SER HA 1 16 ALA MB 3.010 2.410 3.620 2.656 2.334 3.602 0.076 10 0 "[ . 1 . 2 .]" 1
107 1 13 SER HB2 1 14 LEU H 2.970 2.380 3.560 3.166 2.592 3.633 0.073 11 0 "[ . 1 . 2 .]" 1
108 1 13 SER HB2 1 16 ALA MB 3.500 2.800 4.380 4.423 4.367 4.480 0.100 18 0 "[ . 1 . 2 .]" 1
109 1 13 SER HB3 1 16 ALA MB 3.470 2.780 4.330 3.933 3.225 4.392 0.062 10 0 "[ . 1 . 2 .]" 1
110 1 14 LEU H 1 14 LEU HA 2.690 2.150 3.230 2.773 2.751 2.817 . 0 0 "[ . 1 . 2 .]" 1
111 1 14 LEU H 1 14 LEU HB2 2.860 2.290 3.430 2.449 2.216 2.589 0.074 7 0 "[ . 1 . 2 .]" 1
112 1 14 LEU H 1 14 LEU HB3 2.380 . 2.860 2.621 2.428 2.895 0.035 7 0 "[ . 1 . 2 .]" 1
113 1 14 LEU H 1 14 LEU MD1 3.980 3.180 5.170 3.938 3.567 4.118 . 0 0 "[ . 1 . 2 .]" 1
114 1 14 LEU H 1 14 LEU MD2 3.980 3.180 5.170 4.281 3.666 4.338 . 0 0 "[ . 1 . 2 .]" 1
115 1 14 LEU H 1 15 GLN H 2.980 2.380 3.580 2.716 2.579 2.767 . 0 0 "[ . 1 . 2 .]" 1
116 1 14 LEU HA 1 14 LEU HB2 2.870 2.300 3.440 2.477 2.397 2.654 . 0 0 "[ . 1 . 2 .]" 1
117 1 14 LEU HA 1 14 LEU HB3 2.920 2.340 3.500 3.015 2.985 3.023 . 0 0 "[ . 1 . 2 .]" 1
118 1 14 LEU HA 1 14 LEU HG 3.240 2.590 3.970 3.052 2.674 3.624 . 0 0 "[ . 1 . 2 .]" 1
119 1 14 LEU HA 1 15 GLN H 2.820 2.260 3.380 3.449 3.442 3.468 0.088 7 0 "[ . 1 . 2 .]" 1
120 1 14 LEU HA 1 17 SER QB 2.780 2.220 3.340 3.049 2.516 3.397 0.057 22 0 "[ . 1 . 2 .]" 1
121 1 14 LEU HB2 1 14 LEU QD 2.930 2.340 3.520 2.167 2.144 2.216 0.196 16 0 "[ . 1 . 2 .]" 1
122 1 14 LEU HB2 1 14 LEU HG 2.350 . 2.820 2.982 2.589 3.002 0.182 19 0 "[ . 1 . 2 .]" 1
123 1 14 LEU HB2 1 15 GLN H 3.360 2.690 4.150 4.032 3.679 4.141 . 0 0 "[ . 1 . 2 .]" 1
124 1 14 LEU HB3 1 14 LEU QD 2.970 2.380 3.560 2.323 2.281 2.528 0.099 2 0 "[ . 1 . 2 .]" 1
125 1 14 LEU HB3 1 15 GLN H 3.770 3.020 4.810 2.989 2.876 3.016 0.144 7 0 "[ . 1 . 2 .]" 1
126 1 14 LEU MD1 1 15 GLN H 5.080 4.060 7.150 4.479 3.940 4.751 0.120 7 0 "[ . 1 . 2 .]" 1
127 1 14 LEU MD2 1 15 GLN H 5.080 4.060 7.150 4.757 4.582 4.915 . 0 0 "[ . 1 . 2 .]" 1
128 1 14 LEU HG 1 15 GLN H 3.770 3.020 4.810 4.140 3.860 5.017 0.207 7 0 "[ . 1 . 2 .]" 1
129 1 15 GLN H 1 15 GLN HA 2.840 2.270 3.410 2.879 2.802 2.916 . 0 0 "[ . 1 . 2 .]" 1
130 1 15 GLN H 1 15 GLN HB2 2.950 2.360 3.540 2.459 2.291 2.733 0.069 8 0 "[ . 1 . 2 .]" 1
131 1 15 GLN H 1 15 GLN HB3 2.950 2.360 3.540 2.697 2.369 3.578 0.038 11 0 "[ . 1 . 2 .]" 1
132 1 15 GLN H 1 15 GLN HG2 4.090 3.270 5.350 4.469 3.845 4.628 . 0 0 "[ . 1 . 2 .]" 1
133 1 15 GLN H 1 15 GLN HG3 4.090 3.270 5.350 4.447 3.730 4.622 . 0 0 "[ . 1 . 2 .]" 1
134 1 15 GLN H 1 16 ALA H 3.000 2.400 3.600 2.407 2.289 2.658 0.111 2 0 "[ . 1 . 2 .]" 1
135 1 15 GLN HA 1 15 GLN HB2 2.780 2.220 3.340 2.574 2.408 3.023 . 0 0 "[ . 1 . 2 .]" 1
136 1 15 GLN HA 1 15 GLN HB3 2.780 2.220 3.340 2.984 2.534 3.024 . 0 0 "[ . 1 . 2 .]" 1
137 1 15 GLN HA 1 15 GLN HG2 3.120 2.500 3.780 2.959 2.463 3.717 0.037 7 0 "[ . 1 . 2 .]" 1
138 1 15 GLN HA 1 15 GLN HG3 3.220 2.580 3.930 2.764 2.494 3.542 0.086 11 0 "[ . 1 . 2 .]" 1
139 1 15 GLN HA 1 16 ALA H 2.910 2.330 3.490 3.468 3.313 3.519 0.029 20 0 "[ . 1 . 2 .]" 1
140 1 15 GLN HA 1 18 ALA MB 3.450 2.760 4.300 3.224 2.718 4.310 0.042 18 0 "[ . 1 . 2 .]" 1
141 1 15 GLN HB2 1 16 ALA H 3.350 2.680 4.140 3.869 2.825 4.140 . 0 0 "[ . 1 . 2 .]" 1
142 1 15 GLN HB3 1 15 GLN HG2 2.440 . 2.930 2.570 2.264 2.970 0.040 7 0 "[ . 1 . 2 .]" 1
143 1 15 GLN HB3 1 15 GLN HG3 2.440 . 2.930 2.802 2.429 3.009 0.079 1 0 "[ . 1 . 2 .]" 1
144 1 15 GLN HB3 1 16 ALA H 3.350 2.680 4.140 2.995 2.677 3.718 0.003 20 0 "[ . 1 . 2 .]" 1
145 1 15 GLN HE21 1 15 GLN HG2 3.580 2.860 4.500 3.314 2.758 3.562 0.102 20 0 "[ . 1 . 2 .]" 1
146 1 15 GLN HE22 1 15 GLN HG2 4.500 3.600 6.080 3.992 3.723 4.114 . 0 0 "[ . 1 . 2 .]" 1
147 1 15 GLN HE22 1 15 GLN HG3 4.500 3.600 6.080 3.708 3.496 4.112 0.104 19 0 "[ . 1 . 2 .]" 1
148 1 16 ALA H 1 16 ALA HA 2.780 2.220 3.340 2.871 2.783 2.935 . 0 0 "[ . 1 . 2 .]" 1
149 1 16 ALA H 1 16 ALA MB 2.490 . 2.990 2.152 2.008 2.276 . 0 0 "[ . 1 . 2 .]" 1
150 1 16 ALA HA 1 16 ALA MB 2.320 . 2.780 2.122 2.095 2.141 . 0 0 "[ . 1 . 2 .]" 1
151 1 16 ALA HA 1 17 SER H 2.880 2.300 3.460 3.471 3.436 3.536 0.076 2 0 "[ . 1 . 2 .]" 1
152 1 16 ALA MB 1 17 SER H 2.680 2.140 3.220 2.832 2.370 3.002 . 0 0 "[ . 1 . 2 .]" 1
153 1 16 ALA MB 1 17 SER HA 3.580 2.860 4.500 3.883 3.754 4.071 . 0 0 "[ . 1 . 2 .]" 1
154 1 17 SER H 1 17 SER HA 3.340 2.670 4.120 2.855 2.732 2.956 . 0 0 "[ . 1 . 2 .]" 1
155 1 17 SER H 1 17 SER QB 2.580 2.060 3.100 2.255 2.041 2.642 0.019 5 0 "[ . 1 . 2 .]" 1
156 1 17 SER H 1 18 ALA H 2.690 2.150 3.230 2.520 2.128 2.867 0.022 25 0 "[ . 1 . 2 .]" 1
157 1 17 SER HA 1 17 SER QB 2.330 . 2.800 2.415 2.179 2.535 . 0 0 "[ . 1 . 2 .]" 1
158 1 17 SER HA 1 18 ALA H 3.590 2.870 4.520 3.480 3.350 3.571 . 0 0 "[ . 1 . 2 .]" 1
159 1 17 SER HA 1 20 GLU HB2 4.220 3.380 5.580 3.613 3.322 5.276 0.058 13 0 "[ . 1 . 2 .]" 1
160 1 17 SER HA 1 20 GLU HB3 4.210 3.370 5.560 4.695 3.331 5.284 0.039 17 0 "[ . 1 . 2 .]" 1
161 1 17 SER HA 1 20 GLU HG2 3.990 3.190 5.180 4.744 3.363 5.214 0.034 13 0 "[ . 1 . 2 .]" 1
162 1 17 SER HA 1 21 TYR QD 4.240 3.390 5.610 5.229 4.426 5.643 0.033 1 0 "[ . 1 . 2 .]" 1
163 1 17 SER HA 1 21 TYR QE 4.720 3.780 6.480 5.560 4.089 6.453 . 0 0 "[ . 1 . 2 .]" 1
164 1 17 SER QB 1 18 ALA H 2.630 2.100 3.160 2.885 2.381 3.232 0.072 19 0 "[ . 1 . 2 .]" 1
165 1 18 ALA H 1 18 ALA HA 2.710 2.170 3.250 2.797 2.673 2.938 . 0 0 "[ . 1 . 2 .]" 1
166 1 18 ALA H 1 18 ALA MB 2.440 . 2.930 2.164 2.019 2.298 . 0 0 "[ . 1 . 2 .]" 1
167 1 18 ALA H 1 19 THR H 2.860 2.290 3.430 2.724 2.264 3.070 0.026 20 0 "[ . 1 . 2 .]" 1
168 1 18 ALA HA 1 21 TYR QD 3.360 2.690 4.150 3.169 2.678 4.186 0.036 20 0 "[ . 1 . 2 .]" 1
169 1 18 ALA HA 1 21 TYR QE 4.030 3.220 5.250 4.774 4.056 5.263 0.013 25 0 "[ . 1 . 2 .]" 1
170 1 18 ALA MB 1 19 THR H 2.950 2.360 3.540 2.605 2.350 2.869 0.010 25 0 "[ . 1 . 2 .]" 1
171 1 18 ALA MB 1 19 THR HA 3.780 3.020 4.830 3.751 3.624 3.882 . 0 0 "[ . 1 . 2 .]" 1
172 1 18 ALA MB 1 21 TYR QD 4.380 3.500 5.860 4.526 3.946 5.456 . 0 0 "[ . 1 . 2 .]" 1
173 1 19 THR H 1 19 THR HA 2.620 2.100 3.140 2.781 2.701 2.919 . 0 0 "[ . 1 . 2 .]" 1
174 1 19 THR H 1 19 THR HB 2.620 2.100 3.140 2.955 2.640 3.161 0.021 22 0 "[ . 1 . 2 .]" 1
175 1 19 THR H 1 19 THR MG 3.310 2.650 4.070 3.599 3.440 3.745 . 0 0 "[ . 1 . 2 .]" 1
176 1 19 THR H 1 20 GLU H 3.490 2.790 4.360 2.812 2.738 2.942 0.052 10 0 "[ . 1 . 2 .]" 1
177 1 19 THR HA 1 19 THR HB 2.430 . 2.920 2.958 2.896 2.999 0.079 18 0 "[ . 1 . 2 .]" 1
178 1 19 THR HA 1 19 THR MG 2.780 2.220 3.340 2.209 2.165 2.255 0.055 22 0 "[ . 1 . 2 .]" 1
179 1 19 THR HA 1 20 GLU H 3.630 2.900 4.580 3.503 2.995 3.578 . 0 0 "[ . 1 . 2 .]" 1
180 1 19 THR HA 1 22 ILE HB 3.010 2.410 3.620 2.890 2.366 3.731 0.111 21 0 "[ . 1 . 2 .]" 1
181 1 19 THR HA 1 22 ILE MD 3.570 2.860 4.490 3.010 2.781 3.753 0.079 25 0 "[ . 1 . 2 .]" 1
182 1 19 THR HA 1 22 ILE HG13 3.670 2.940 4.650 3.514 2.766 3.919 0.174 21 0 "[ . 1 . 2 .]" 1
183 1 19 THR HA 1 22 ILE MG 3.610 2.890 4.550 4.129 3.606 4.618 0.068 22 0 "[ . 1 . 2 .]" 1
184 1 19 THR HB 1 19 THR MG 2.600 2.080 3.120 2.124 2.090 2.135 . 0 0 "[ . 1 . 2 .]" 1
185 1 19 THR HB 1 20 GLU H 3.310 2.650 4.070 2.797 2.577 4.022 0.073 4 0 "[ . 1 . 2 .]" 1
186 1 19 THR MG 1 20 GLU H 4.000 3.200 5.200 3.997 3.747 4.326 . 0 0 "[ . 1 . 2 .]" 1
187 1 19 THR MG 1 20 GLU HA 4.970 3.980 6.940 4.370 3.939 4.721 0.041 18 0 "[ . 1 . 2 .]" 1
188 1 19 THR MG 1 22 ILE MD 3.170 2.540 3.860 3.682 3.143 3.905 0.045 22 0 "[ . 1 . 2 .]" 1
189 1 20 GLU H 1 20 GLU HA 3.010 2.410 3.620 2.808 2.732 2.906 . 0 0 "[ . 1 . 2 .]" 1
190 1 20 GLU H 1 20 GLU HB2 2.710 2.170 3.250 2.318 2.090 3.479 0.229 1 0 "[ . 1 . 2 .]" 1
191 1 20 GLU H 1 20 GLU HB3 2.710 2.170 3.250 3.183 2.150 3.459 0.209 7 0 "[ . 1 . 2 .]" 1
192 1 20 GLU H 1 20 GLU HG2 3.250 2.600 3.980 3.644 2.576 4.247 0.267 17 0 "[ . 1 . 2 .]" 1
193 1 20 GLU H 1 20 GLU HG3 3.250 2.600 3.980 3.648 2.642 4.274 0.294 25 0 "[ . 1 . 2 .]" 1
194 1 20 GLU H 1 21 TYR H 3.430 2.740 4.260 2.692 2.590 2.786 0.150 25 0 "[ . 1 . 2 .]" 1
195 1 20 GLU HA 1 20 GLU HB2 2.710 2.170 3.250 2.833 2.290 2.984 . 0 0 "[ . 1 . 2 .]" 1
196 1 20 GLU HA 1 20 GLU HB3 2.830 2.260 3.400 2.701 2.526 3.002 . 0 0 "[ . 1 . 2 .]" 1
197 1 20 GLU HA 1 20 GLU HG2 2.990 2.390 3.590 2.996 2.351 3.730 0.140 20 0 "[ . 1 . 2 .]" 1
198 1 20 GLU HA 1 20 GLU HG3 3.310 2.650 4.070 2.900 2.550 3.864 0.100 16 0 "[ . 1 . 2 .]" 1
199 1 20 GLU HA 1 21 TYR H 3.560 2.850 4.470 3.446 3.335 3.608 . 0 0 "[ . 1 . 2 .]" 1
200 1 20 GLU HB2 1 20 GLU HG2 2.700 2.160 3.240 2.727 2.371 3.026 . 0 0 "[ . 1 . 2 .]" 1
201 1 20 GLU HB2 1 20 GLU HG3 3.030 2.420 3.650 2.622 2.309 3.020 0.111 1 0 "[ . 1 . 2 .]" 1
202 1 20 GLU HB2 1 21 TYR H 3.170 2.540 3.860 3.481 3.081 4.040 0.180 17 0 "[ . 1 . 2 .]" 1
203 1 20 GLU HB2 1 21 TYR QD 4.040 3.230 5.270 3.866 3.252 5.122 . 0 0 "[ . 1 . 2 .]" 1
204 1 20 GLU HB3 1 20 GLU HG2 2.310 . 2.770 2.567 2.192 2.988 0.218 12 0 "[ . 1 . 2 .]" 1
205 1 20 GLU HB3 1 21 TYR H 3.170 2.540 3.860 3.619 2.489 3.910 0.051 20 0 "[ . 1 . 2 .]" 1
206 1 20 GLU HB3 1 21 TYR QE 4.440 3.550 5.970 4.588 3.495 5.972 0.055 21 0 "[ . 1 . 2 .]" 1
207 1 21 TYR H 1 21 TYR HA 3.450 2.760 4.300 2.919 2.893 2.948 . 0 0 "[ . 1 . 2 .]" 1
208 1 21 TYR H 1 21 TYR HB2 2.760 2.210 3.310 2.314 2.181 2.918 0.029 9 0 "[ . 1 . 2 .]" 1
209 1 21 TYR H 1 21 TYR HB3 2.940 2.350 3.530 3.530 3.404 3.713 0.183 13 0 "[ . 1 . 2 .]" 1
210 1 21 TYR H 1 21 TYR QD 3.080 2.460 3.720 2.885 2.405 3.584 0.055 20 0 "[ . 1 . 2 .]" 1
211 1 21 TYR H 1 22 ILE H 2.550 2.040 3.060 2.292 1.988 2.554 0.052 13 0 "[ . 1 . 2 .]" 1
212 1 21 TYR HA 1 21 TYR HB2 2.820 2.260 3.380 2.981 2.931 3.018 . 0 0 "[ . 1 . 2 .]" 1
213 1 21 TYR HA 1 21 TYR HB3 2.560 2.050 3.070 2.592 2.267 2.736 . 0 0 "[ . 1 . 2 .]" 1
214 1 21 TYR HA 1 21 TYR QD 2.740 2.190 3.290 2.736 2.135 3.093 0.055 21 0 "[ . 1 . 2 .]" 1
215 1 21 TYR HA 1 21 TYR QE 4.480 3.580 6.040 4.455 4.260 5.013 . 0 0 "[ . 1 . 2 .]" 1
216 1 21 TYR HA 1 22 ILE H 3.800 3.040 4.860 3.499 3.366 3.577 . 0 0 "[ . 1 . 2 .]" 1
217 1 21 TYR HA 1 24 TYR QD 2.830 2.260 3.400 3.269 2.325 3.483 0.083 10 0 "[ . 1 . 2 .]" 1
218 1 21 TYR HA 1 24 TYR QE 4.500 3.600 6.080 4.277 3.566 5.445 0.034 9 0 "[ . 1 . 2 .]" 1
219 1 21 TYR HB2 1 21 TYR QD 2.700 2.160 3.240 2.430 2.269 2.765 . 0 0 "[ . 1 . 2 .]" 1
220 1 21 TYR HB2 1 21 TYR QE 3.640 2.910 4.600 4.421 4.375 4.506 . 0 0 "[ . 1 . 2 .]" 1
221 1 21 TYR HB3 1 21 TYR QD 2.650 2.120 3.180 2.439 2.294 2.678 . 0 0 "[ . 1 . 2 .]" 1
222 1 21 TYR HB3 1 21 TYR QE 3.840 3.070 4.930 4.427 4.388 4.491 . 0 0 "[ . 1 . 2 .]" 1
223 1 22 ILE H 1 22 ILE HA 2.450 . 2.940 2.813 2.711 2.869 . 0 0 "[ . 1 . 2 .]" 1
224 1 22 ILE H 1 22 ILE HB 2.320 . 2.780 2.278 2.200 2.353 . 0 0 "[ . 1 . 2 .]" 1
225 1 22 ILE H 1 22 ILE MD 3.170 2.540 3.860 3.647 3.518 3.870 0.010 25 0 "[ . 1 . 2 .]" 1
226 1 22 ILE H 1 22 ILE HG12 3.010 2.410 3.620 3.442 2.420 3.687 0.067 20 0 "[ . 1 . 2 .]" 1
227 1 22 ILE H 1 22 ILE HG13 2.760 2.210 3.310 2.492 2.176 3.535 0.225 21 0 "[ . 1 . 2 .]" 1
228 1 22 ILE H 1 22 ILE MG 2.830 2.260 3.400 3.669 3.635 3.697 0.297 10 0 "[ . 1 . 2 .]" 1
229 1 22 ILE H 1 23 GLY H 2.640 2.110 3.170 2.605 2.386 2.924 . 0 0 "[ . 1 . 2 .]" 1
230 1 22 ILE HA 1 22 ILE HB 3.110 2.490 3.770 3.013 2.991 3.020 . 0 0 "[ . 1 . 2 .]" 1
231 1 22 ILE HA 1 22 ILE HG12 3.280 2.620 4.030 2.496 2.372 2.587 0.248 25 0 "[ . 1 . 2 .]" 1
232 1 22 ILE HA 1 22 ILE HG13 3.710 2.970 4.720 3.027 2.876 3.621 0.094 20 0 "[ . 1 . 2 .]" 1
233 1 22 ILE HA 1 22 ILE MG 3.280 2.620 4.030 2.558 2.504 2.662 0.116 24 0 "[ . 1 . 2 .]" 1
234 1 22 ILE HB 1 22 ILE MD 3.140 2.510 3.810 2.537 2.427 3.228 0.083 4 0 "[ . 1 . 2 .]" 1
235 1 22 ILE HB 1 22 ILE HG12 3.700 2.960 4.700 2.985 2.593 3.042 0.367 21 0 "[ . 1 . 2 .]" 1
236 1 22 ILE HB 1 22 ILE HG13 3.140 2.510 3.810 2.453 2.388 2.477 0.122 21 0 "[ . 1 . 2 .]" 1
237 1 22 ILE HB 1 23 GLY H 3.030 2.420 3.650 3.036 2.451 3.539 . 0 0 "[ . 1 . 2 .]" 1
238 1 22 ILE MD 1 22 ILE HG12 2.770 2.220 3.320 2.138 2.108 2.149 0.112 20 0 "[ . 1 . 2 .]" 1
239 1 22 ILE MD 1 22 ILE HG13 2.850 2.280 3.420 2.149 2.125 2.160 0.155 25 0 "[ . 1 . 2 .]" 1
240 1 22 ILE HG12 1 22 ILE MG 3.020 2.420 3.630 2.499 2.373 3.213 0.047 9 0 "[ . 1 . 2 .]" 1
241 1 22 ILE MG 1 23 GLY H 3.360 2.690 4.150 3.517 2.820 3.811 . 0 0 "[ . 1 . 2 .]" 1
242 1 23 GLY H 1 23 GLY HA2 2.440 . 2.930 2.876 2.513 2.956 0.026 18 0 "[ . 1 . 2 .]" 1
243 1 23 GLY H 1 23 GLY HA3 2.440 . 2.930 2.470 2.292 2.954 0.024 13 0 "[ . 1 . 2 .]" 1
244 1 23 GLY H 1 24 TYR H 2.790 2.230 3.350 2.933 2.302 3.417 0.067 3 0 "[ . 1 . 2 .]" 1
245 1 23 GLY HA2 1 24 TYR H 2.940 2.350 3.530 2.939 2.229 3.570 0.121 20 0 "[ . 1 . 2 .]" 1
246 1 23 GLY HA3 1 24 TYR H 3.090 2.470 3.740 3.217 2.447 3.568 0.023 21 0 "[ . 1 . 2 .]" 1
247 1 24 TYR H 1 24 TYR HA 3.420 2.740 4.250 2.908 2.791 2.961 . 0 0 "[ . 1 . 2 .]" 1
248 1 24 TYR H 1 24 TYR HB2 2.920 2.340 3.500 2.951 2.146 3.634 0.194 17 0 "[ . 1 . 2 .]" 1
249 1 24 TYR H 1 24 TYR HB3 2.920 2.340 3.500 3.218 2.346 3.602 0.102 19 0 "[ . 1 . 2 .]" 1
250 1 24 TYR H 1 24 TYR QD 2.930 2.340 3.520 2.921 2.295 3.556 0.045 9 0 "[ . 1 . 2 .]" 1
251 1 24 TYR H 1 25 ALA H 2.800 2.240 3.360 2.700 2.161 3.365 0.079 20 0 "[ . 1 . 2 .]" 1
252 1 24 TYR HA 1 24 TYR HB2 2.470 . 2.960 2.739 2.226 3.011 0.051 25 0 "[ . 1 . 2 .]" 1
253 1 24 TYR HA 1 24 TYR HB3 2.470 . 2.960 2.525 2.217 2.911 . 0 0 "[ . 1 . 2 .]" 1
254 1 24 TYR HA 1 24 TYR QD 2.820 2.260 3.380 3.028 2.229 3.644 0.264 2 0 "[ . 1 . 2 .]" 1
255 1 24 TYR HA 1 24 TYR QE 4.220 3.380 5.580 4.926 4.165 5.583 0.003 8 0 "[ . 1 . 2 .]" 1
256 1 24 TYR HA 1 25 ALA H 3.550 2.840 4.460 3.101 2.732 3.567 0.108 19 0 "[ . 1 . 2 .]" 1
257 1 24 TYR HA 1 27 ALA MB 2.780 2.220 3.340 3.055 2.278 3.697 0.357 18 0 "[ . 1 . 2 .]" 1
258 1 24 TYR HB2 1 24 TYR QD 2.610 2.090 3.130 2.523 2.284 2.761 . 0 0 "[ . 1 . 2 .]" 1
259 1 24 TYR HB2 1 24 TYR QE 4.220 3.380 5.580 4.439 4.374 4.509 . 0 0 "[ . 1 . 2 .]" 1
260 1 24 TYR HB2 1 25 ALA H 4.150 3.320 5.460 4.065 3.272 4.627 0.048 3 0 "[ . 1 . 2 .]" 1
261 1 24 TYR HB3 1 24 TYR QD 2.580 2.070 3.090 2.405 2.266 2.760 . 0 0 "[ . 1 . 2 .]" 1
262 1 24 TYR HB3 1 24 TYR QE 4.220 3.380 5.580 4.414 4.373 4.508 . 0 0 "[ . 1 . 2 .]" 1
263 1 24 TYR HB3 1 25 ALA H 4.150 3.320 5.460 4.219 3.279 4.679 0.041 15 0 "[ . 1 . 2 .]" 1
264 1 24 TYR HB3 1 27 ALA MB 3.800 3.040 4.860 3.920 2.927 4.928 0.113 18 0 "[ . 1 . 2 .]" 1
265 1 24 TYR QD 1 27 ALA MB 4.090 3.270 5.350 4.033 3.258 5.222 0.012 6 0 "[ . 1 . 2 .]" 1
266 1 25 ALA H 1 25 ALA HA 2.810 2.250 3.370 2.822 2.288 2.958 . 0 0 "[ . 1 . 2 .]" 1
267 1 25 ALA H 1 25 ALA MB 2.850 2.280 3.420 2.284 2.217 2.923 0.063 22 0 "[ . 1 . 2 .]" 1
268 1 25 ALA HA 1 25 ALA MB 2.830 2.260 3.400 2.144 2.119 2.151 0.141 5 0 "[ . 1 . 2 .]" 1
269 1 25 ALA HA 1 26 TRP H 3.340 2.670 4.120 3.551 3.468 3.583 . 0 0 "[ . 1 . 2 .]" 1
270 1 25 ALA HA 1 28 MET HB2 2.630 2.100 3.160 2.919 2.372 3.202 0.042 19 0 "[ . 1 . 2 .]" 1
271 1 25 ALA HA 1 28 MET HB3 2.630 2.100 3.160 2.912 2.240 3.200 0.040 8 0 "[ . 1 . 2 .]" 1
272 1 25 ALA HA 1 28 MET HG3 4.340 3.470 5.790 4.530 3.916 5.072 . 0 0 "[ . 1 . 2 .]" 1
273 1 25 ALA MB 1 26 TRP H 2.760 2.210 3.310 2.406 2.096 2.837 0.114 18 0 "[ . 1 . 2 .]" 1
274 1 26 TRP H 1 26 TRP HA 3.090 2.470 3.740 2.790 2.720 2.839 . 0 0 "[ . 1 . 2 .]" 1
275 1 26 TRP H 1 26 TRP HB2 2.710 2.170 3.250 2.177 2.078 2.597 0.092 23 0 "[ . 1 . 2 .]" 1
276 1 26 TRP H 1 26 TRP HB3 2.710 2.170 3.250 3.429 3.349 3.519 0.269 12 0 "[ . 1 . 2 .]" 1
277 1 26 TRP H 1 26 TRP HD1 3.140 2.510 3.810 3.564 3.020 3.838 0.028 16 0 "[ . 1 . 2 .]" 1
278 1 26 TRP H 1 27 ALA H 2.830 2.270 3.390 2.729 2.543 3.103 . 0 0 "[ . 1 . 2 .]" 1
279 1 26 TRP HA 1 26 TRP HB2 2.960 2.370 3.550 2.955 2.900 3.018 . 0 0 "[ . 1 . 2 .]" 1
280 1 26 TRP HA 1 26 TRP HB3 3.060 2.450 3.690 2.671 2.416 2.788 0.034 21 0 "[ . 1 . 2 .]" 1
281 1 26 TRP HA 1 26 TRP HD1 3.900 3.120 5.030 4.361 4.167 4.660 . 0 0 "[ . 1 . 2 .]" 1
282 1 26 TRP HA 1 26 TRP HE3 2.740 2.190 3.290 2.336 2.142 2.641 0.048 21 0 "[ . 1 . 2 .]" 1
283 1 26 TRP HA 1 29 VAL H 3.480 2.780 4.340 3.483 3.262 3.811 . 0 0 "[ . 1 . 2 .]" 1
284 1 26 TRP HA 1 29 VAL HB 2.990 2.390 3.590 2.772 2.611 2.863 . 0 0 "[ . 1 . 2 .]" 1
285 1 26 TRP HA 1 29 VAL MG1 3.240 2.590 3.970 3.995 3.841 4.023 0.053 19 0 "[ . 1 . 2 .]" 1
286 1 26 TRP HA 1 29 VAL MG2 2.970 2.380 3.560 2.549 2.368 2.822 0.012 16 0 "[ . 1 . 2 .]" 1
287 1 26 TRP HB2 1 26 TRP HD1 3.110 2.490 3.770 2.580 2.574 2.588 . 0 0 "[ . 1 . 2 .]" 1
288 1 26 TRP HB2 1 27 ALA H 2.650 2.120 3.180 2.802 2.469 3.058 . 0 0 "[ . 1 . 2 .]" 1
289 1 26 TRP HB3 1 26 TRP HD1 3.210 2.570 3.920 3.598 3.540 3.664 . 0 0 "[ . 1 . 2 .]" 1
290 1 26 TRP HE3 1 29 VAL MG1 3.240 2.590 3.970 3.424 3.195 3.913 . 0 0 "[ . 1 . 2 .]" 1
291 1 26 TRP HE3 1 29 VAL MG2 3.050 2.440 3.680 3.498 2.784 3.685 0.005 11 0 "[ . 1 . 2 .]" 1
292 1 26 TRP HH2 1 26 TRP HZ3 2.140 . 2.570 2.459 2.458 2.461 . 0 0 "[ . 1 . 2 .]" 1
293 1 26 TRP HZ3 1 29 VAL MG1 3.440 2.750 4.280 3.269 2.761 4.314 0.034 12 0 "[ . 1 . 2 .]" 1
294 1 26 TRP HZ3 1 29 VAL MG2 3.780 3.030 4.830 4.273 3.584 4.535 . 0 0 "[ . 1 . 2 .]" 1
295 1 27 ALA H 1 27 ALA HA 2.500 . 3.000 2.839 2.780 2.908 . 0 0 "[ . 1 . 2 .]" 1
296 1 27 ALA H 1 27 ALA MB 2.300 . 2.760 2.107 2.005 2.240 . 0 0 "[ . 1 . 2 .]" 1
297 1 27 ALA H 1 28 MET H 2.380 . 2.850 2.606 2.387 2.783 . 0 0 "[ . 1 . 2 .]" 1
298 1 27 ALA HA 1 27 ALA MB 2.360 . 2.830 2.113 2.095 2.140 . 0 0 "[ . 1 . 2 .]" 1
299 1 27 ALA HA 1 28 MET H 3.310 2.650 4.070 3.540 3.490 3.574 . 0 0 "[ . 1 . 2 .]" 1
300 1 27 ALA HA 1 30 VAL H 3.170 2.540 3.860 3.293 3.131 3.447 . 0 0 "[ . 1 . 2 .]" 1
301 1 27 ALA HA 1 30 VAL HB 2.710 2.170 3.250 2.533 2.437 2.663 . 0 0 "[ . 1 . 2 .]" 1
302 1 27 ALA HA 1 30 VAL MG1 3.140 2.510 3.810 3.862 3.824 3.893 0.083 16 0 "[ . 1 . 2 .]" 1
303 1 27 ALA HA 1 30 VAL MG2 3.070 2.460 3.700 2.703 2.439 3.057 0.021 2 0 "[ . 1 . 2 .]" 1
304 1 27 ALA MB 1 28 MET H 2.780 2.220 3.340 2.612 2.338 2.815 . 0 0 "[ . 1 . 2 .]" 1
305 1 27 ALA MB 1 30 VAL HB 3.200 2.560 3.900 3.885 3.755 3.960 0.060 20 0 "[ . 1 . 2 .]" 1
306 1 27 ALA MB 1 30 VAL MG2 4.680 3.740 6.400 4.032 3.868 4.285 . 0 0 "[ . 1 . 2 .]" 1
307 1 28 MET H 1 28 MET HA 2.400 . 2.880 2.808 2.771 2.844 . 0 0 "[ . 1 . 2 .]" 1
308 1 28 MET H 1 28 MET HB2 2.740 2.190 3.290 2.264 2.057 2.479 0.133 12 0 "[ . 1 . 2 .]" 1
309 1 28 MET H 1 28 MET HB3 2.530 2.020 3.040 2.785 2.528 3.153 0.113 12 0 "[ . 1 . 2 .]" 1
310 1 28 MET H 1 28 MET HG3 3.480 2.780 4.340 4.509 4.457 4.546 0.206 17 0 "[ . 1 . 2 .]" 1
311 1 28 MET HA 1 28 MET HB2 2.720 2.180 3.260 2.631 2.505 2.825 . 0 0 "[ . 1 . 2 .]" 1
312 1 28 MET HA 1 28 MET HB3 2.520 2.020 3.020 2.993 2.897 3.032 0.012 7 0 "[ . 1 . 2 .]" 1
313 1 28 MET HA 1 28 MET ME 3.200 2.560 3.900 3.375 2.550 3.943 0.043 13 0 "[ . 1 . 2 .]" 1
314 1 28 MET HA 1 28 MET HG2 3.700 2.960 4.700 3.226 2.762 3.665 0.198 17 0 "[ . 1 . 2 .]" 1
315 1 28 MET HA 1 28 MET HG3 4.270 3.420 5.670 3.438 3.255 3.653 0.165 7 0 "[ . 1 . 2 .]" 1
316 1 28 MET HA 1 29 VAL H 3.220 2.580 3.930 3.520 3.490 3.546 . 0 0 "[ . 1 . 2 .]" 1
317 1 28 MET HA 1 31 VAL H 3.000 2.400 3.600 3.337 3.099 3.586 . 0 0 "[ . 1 . 2 .]" 1
318 1 28 MET HA 1 31 VAL HB 2.410 . 2.890 2.280 2.077 2.552 . 0 0 "[ . 1 . 2 .]" 1
319 1 28 MET HA 1 31 VAL MG1 3.140 2.510 3.810 3.067 2.604 3.463 . 0 0 "[ . 1 . 2 .]" 1
320 1 28 MET HA 1 31 VAL MG2 2.870 2.300 3.440 3.419 3.210 3.471 0.031 18 0 "[ . 1 . 2 .]" 1
321 1 28 MET HA 1 32 ILE MD 4.390 3.510 5.880 4.840 4.543 5.193 . 0 0 "[ . 1 . 2 .]" 1
322 1 28 MET HB2 1 28 MET HG2 2.870 2.300 3.440 2.329 2.316 2.356 . 0 0 "[ . 1 . 2 .]" 1
323 1 28 MET HB2 1 28 MET HG3 3.040 2.430 3.660 2.787 2.539 3.005 . 0 0 "[ . 1 . 2 .]" 1
324 1 28 MET HB2 1 29 VAL H 3.240 2.590 3.970 3.576 3.198 3.845 . 0 0 "[ . 1 . 2 .]" 1
325 1 28 MET HB3 1 28 MET HG2 2.670 2.140 3.200 2.769 2.534 3.008 . 0 0 "[ . 1 . 2 .]" 1
326 1 28 MET HB3 1 28 MET HG3 2.920 2.340 3.500 2.317 2.299 2.350 0.041 14 0 "[ . 1 . 2 .]" 1
327 1 28 MET HB3 1 32 ILE MD 3.310 2.650 4.070 4.078 3.506 4.214 0.144 22 0 "[ . 1 . 2 .]" 1
328 1 28 MET ME 1 31 VAL MG2 3.700 2.960 4.700 3.973 3.057 4.640 . 0 0 "[ . 1 . 2 .]" 1
329 1 28 MET HG2 1 32 ILE MD 3.850 3.080 4.950 4.594 4.253 4.984 0.034 4 0 "[ . 1 . 2 .]" 1
330 1 28 MET HG3 1 32 ILE MD 3.700 2.960 4.700 3.393 2.849 4.073 0.111 22 0 "[ . 1 . 2 .]" 1
331 1 29 VAL H 1 29 VAL HA 3.440 2.750 4.280 2.826 2.790 2.862 . 0 0 "[ . 1 . 2 .]" 1
332 1 29 VAL H 1 29 VAL HB 2.590 2.070 3.110 2.452 2.399 2.535 . 0 0 "[ . 1 . 2 .]" 1
333 1 29 VAL HA 1 29 VAL HB 2.850 2.280 3.420 3.019 3.017 3.020 . 0 0 "[ . 1 . 2 .]" 1
334 1 29 VAL HA 1 29 VAL MG1 2.570 2.060 3.080 2.400 2.296 2.475 . 0 0 "[ . 1 . 2 .]" 1
335 1 29 VAL HA 1 32 ILE H 2.990 2.390 3.590 3.509 3.185 3.635 0.045 6 0 "[ . 1 . 2 .]" 1
336 1 29 VAL HA 1 32 ILE HB 2.670 2.140 3.200 2.676 2.316 2.903 . 0 0 "[ . 1 . 2 .]" 1
337 1 29 VAL HA 1 32 ILE MD 3.240 2.590 3.970 2.896 2.555 3.732 0.035 23 0 "[ . 1 . 2 .]" 1
338 1 29 VAL HB 1 29 VAL MG1 2.510 2.010 3.010 2.114 2.088 2.132 . 0 0 "[ . 1 . 2 .]" 1
339 1 29 VAL HB 1 29 VAL MG2 2.450 . 2.940 2.101 2.087 2.133 . 0 0 "[ . 1 . 2 .]" 1
340 1 29 VAL HB 1 30 VAL H 2.690 2.150 3.230 2.472 2.187 2.654 . 0 0 "[ . 1 . 2 .]" 1
341 1 30 VAL H 1 30 VAL HA 3.230 2.580 3.950 2.820 2.771 2.876 . 0 0 "[ . 1 . 2 .]" 1
342 1 30 VAL H 1 30 VAL HB 2.430 . 2.920 2.396 2.278 2.486 . 0 0 "[ . 1 . 2 .]" 1
343 1 30 VAL HA 1 30 VAL HB 2.450 . 2.940 3.009 3.004 3.013 0.073 21 0 "[ . 1 . 2 .]" 1
344 1 30 VAL HA 1 30 VAL MG1 2.360 . 2.830 2.445 2.375 2.534 . 0 0 "[ . 1 . 2 .]" 1
345 1 30 VAL HA 1 30 VAL MG2 2.430 . 2.920 2.316 2.195 2.414 . 0 0 "[ . 1 . 2 .]" 1
346 1 30 VAL HA 1 31 VAL H 4.020 3.220 5.230 3.512 3.478 3.536 . 0 0 "[ . 1 . 2 .]" 1
347 1 30 VAL HA 1 33 VAL H 2.820 2.260 3.380 3.438 3.416 3.500 0.120 12 0 "[ . 1 . 2 .]" 1
348 1 30 VAL HA 1 33 VAL HB 2.750 2.200 3.300 2.747 2.268 3.290 . 0 0 "[ . 1 . 2 .]" 1
349 1 30 VAL HB 1 30 VAL MG2 2.460 . 2.950 2.105 2.087 2.129 . 0 0 "[ . 1 . 2 .]" 1
350 1 31 VAL H 1 31 VAL HA 3.350 2.680 4.140 2.814 2.786 2.857 . 0 0 "[ . 1 . 2 .]" 1
351 1 31 VAL H 1 31 VAL HB 2.370 . 2.840 2.032 2.007 2.105 . 0 0 "[ . 1 . 2 .]" 1
352 1 31 VAL H 1 32 ILE H 2.620 2.100 3.140 2.738 2.540 2.901 . 0 0 "[ . 1 . 2 .]" 1
353 1 31 VAL HA 1 31 VAL HB 3.020 2.420 3.630 2.885 2.815 2.955 . 0 0 "[ . 1 . 2 .]" 1
354 1 31 VAL HA 1 31 VAL MG1 2.360 . 2.830 2.917 2.787 3.007 0.177 6 0 "[ . 1 . 2 .]" 1
355 1 31 VAL HA 1 31 VAL MG2 2.470 . 2.960 2.048 1.955 2.166 0.025 2 0 "[ . 1 . 2 .]" 1
356 1 31 VAL HB 1 31 VAL MG1 2.180 . 2.620 2.129 2.127 2.132 . 0 0 "[ . 1 . 2 .]" 1
357 1 31 VAL HB 1 31 VAL MG2 2.360 . 2.830 2.111 2.087 2.131 . 0 0 "[ . 1 . 2 .]" 1
358 1 31 VAL HB 1 32 ILE H 3.010 2.410 3.620 2.846 2.541 3.087 . 0 0 "[ . 1 . 2 .]" 1
359 1 31 VAL MG1 1 31 VAL MG2 1.850 . 2.220 2.058 2.028 2.087 . 0 0 "[ . 1 . 2 .]" 1
360 1 31 VAL MG1 1 32 ILE HB 3.000 2.400 3.600 3.767 3.736 3.813 0.213 5 0 "[ . 1 . 2 .]" 1
361 1 31 VAL MG1 1 32 ILE HG13 3.000 2.400 3.600 2.336 2.311 2.379 0.089 13 0 "[ . 1 . 2 .]" 1
362 1 32 ILE H 1 32 ILE HA 2.710 2.170 3.250 2.774 2.744 2.822 . 0 0 "[ . 1 . 2 .]" 1
363 1 32 ILE H 1 32 ILE HB 2.500 . 3.000 2.290 2.244 2.326 . 0 0 "[ . 1 . 2 .]" 1
364 1 32 ILE H 1 32 ILE MD 3.240 2.590 3.970 3.613 3.457 3.732 . 0 0 "[ . 1 . 2 .]" 1
365 1 32 ILE H 1 32 ILE HG12 2.940 2.350 3.530 3.526 3.456 3.566 0.036 10 0 "[ . 1 . 2 .]" 1
366 1 32 ILE H 1 32 ILE HG13 2.600 2.080 3.120 2.303 2.223 2.398 . 0 0 "[ . 1 . 2 .]" 1
367 1 32 ILE H 1 32 ILE MG 3.240 2.590 3.970 3.698 3.680 3.713 . 0 0 "[ . 1 . 2 .]" 1
368 1 32 ILE H 1 33 VAL H 2.670 2.140 3.200 2.798 2.662 2.896 . 0 0 "[ . 1 . 2 .]" 1
369 1 32 ILE HA 1 32 ILE HB 2.670 2.140 3.200 2.996 2.992 3.000 . 0 0 "[ . 1 . 2 .]" 1
370 1 32 ILE HA 1 32 ILE MD 3.090 2.470 3.730 3.758 3.735 3.786 0.056 22 0 "[ . 1 . 2 .]" 1
371 1 32 ILE HA 1 32 ILE HG12 2.650 2.120 3.180 2.397 2.343 2.479 . 0 0 "[ . 1 . 2 .]" 1
372 1 32 ILE HA 1 32 ILE HG13 2.580 2.060 3.100 2.855 2.771 2.959 . 0 0 "[ . 1 . 2 .]" 1
373 1 32 ILE HA 1 32 ILE MG 2.620 2.100 3.140 2.556 2.487 2.600 . 0 0 "[ . 1 . 2 .]" 1
374 1 32 ILE HA 1 35 ALA MB 2.520 2.020 3.020 2.591 2.095 3.024 0.004 15 0 "[ . 1 . 2 .]" 1
375 1 32 ILE HB 1 32 ILE HG13 2.230 . 2.680 2.431 2.399 2.468 . 0 0 "[ . 1 . 2 .]" 1
376 1 32 ILE HB 1 32 ILE MG 2.300 . 2.760 2.124 2.097 2.140 . 0 0 "[ . 1 . 2 .]" 1
377 1 32 ILE HB 1 33 VAL H 2.850 2.280 3.420 2.694 2.487 2.978 . 0 0 "[ . 1 . 2 .]" 1
378 1 32 ILE MD 1 32 ILE HG12 2.380 . 2.860 2.114 2.099 2.141 . 0 0 "[ . 1 . 2 .]" 1
379 1 32 ILE MD 1 32 ILE HG13 2.510 2.010 3.010 2.111 2.096 2.137 . 0 0 "[ . 1 . 2 .]" 1
380 1 32 ILE MD 1 32 ILE MG 2.140 . 2.570 1.802 1.681 1.987 0.029 2 0 "[ . 1 . 2 .]" 1
381 1 32 ILE HG12 1 32 ILE MG 2.500 . 3.000 2.418 2.348 2.493 . 0 0 "[ . 1 . 2 .]" 1
382 1 32 ILE HG13 1 32 ILE MG 2.690 2.150 3.230 3.192 3.180 3.199 . 0 0 "[ . 1 . 2 .]" 1
383 1 32 ILE MG 1 35 ALA MB 3.600 2.880 4.540 3.535 2.867 4.230 0.013 12 0 "[ . 1 . 2 .]" 1
384 1 33 VAL H 1 33 VAL HA 2.210 . 2.650 2.765 2.737 2.815 0.165 8 0 "[ . 1 . 2 .]" 1
385 1 33 VAL H 1 33 VAL HB 2.400 . 2.880 2.461 2.377 2.546 . 0 0 "[ . 1 . 2 .]" 1
386 1 33 VAL H 1 33 VAL MG1 2.980 2.380 3.580 3.714 3.704 3.725 0.145 16 0 "[ . 1 . 2 .]" 1
387 1 33 VAL H 1 33 VAL MG2 2.670 2.140 3.200 2.183 2.110 2.341 0.030 16 0 "[ . 1 . 2 .]" 1
388 1 33 VAL H 1 34 GLY H 2.510 2.010 3.010 2.806 2.527 3.009 . 0 0 "[ . 1 . 2 .]" 1
389 1 33 VAL HA 1 33 VAL HB 3.130 2.500 3.800 3.011 3.005 3.014 . 0 0 "[ . 1 . 2 .]" 1
390 1 33 VAL HA 1 33 VAL MG1 2.490 . 2.990 2.394 2.278 2.527 . 0 0 "[ . 1 . 2 .]" 1
391 1 33 VAL HA 1 33 VAL MG2 2.510 2.010 3.010 2.295 2.185 2.411 . 0 0 "[ . 1 . 2 .]" 1
392 1 33 VAL HA 1 36 THR HB 2.630 2.100 3.160 2.847 2.152 3.142 . 0 0 "[ . 1 . 2 .]" 1
393 1 33 VAL HA 1 36 THR MG 3.330 2.660 4.100 4.013 3.416 4.147 0.047 8 0 "[ . 1 . 2 .]" 1
394 1 33 VAL HB 1 33 VAL MG2 2.200 . 2.640 2.099 2.088 2.128 . 0 0 "[ . 1 . 2 .]" 1
395 1 33 VAL HB 1 34 GLY H 2.650 2.120 3.180 2.490 2.120 2.896 0.000 22 0 "[ . 1 . 2 .]" 1
396 1 33 VAL MG1 1 34 GLY H 3.220 2.580 3.930 3.290 2.785 3.725 . 0 0 "[ . 1 . 2 .]" 1
397 1 33 VAL MG2 1 34 GLY H 3.220 2.580 3.930 3.823 3.618 3.992 0.062 12 0 "[ . 1 . 2 .]" 1
398 1 33 VAL MG2 1 36 THR HB 3.700 2.960 4.700 4.587 3.758 4.758 0.058 19 0 "[ . 1 . 2 .]" 1
399 1 34 GLY H 1 34 GLY QA 2.180 . 2.620 2.205 2.191 2.243 . 0 0 "[ . 1 . 2 .]" 1
400 1 34 GLY QA 1 35 ALA H 2.420 . 2.900 2.728 2.583 2.841 . 0 0 "[ . 1 . 2 .]" 1
401 1 34 GLY QA 1 37 ILE HB 3.070 2.460 3.710 3.370 2.471 3.742 0.032 16 0 "[ . 1 . 2 .]" 1
402 1 35 ALA H 1 35 ALA HA 2.530 2.020 3.040 2.858 2.779 2.920 . 0 0 "[ . 1 . 2 .]" 1
403 1 35 ALA H 1 35 ALA MB 2.470 . 2.960 2.152 2.017 2.272 . 0 0 "[ . 1 . 2 .]" 1
404 1 35 ALA H 1 36 THR H 2.570 2.060 3.080 2.539 2.290 2.877 . 0 0 "[ . 1 . 2 .]" 1
405 1 35 ALA HA 1 35 ALA MB 2.430 . 2.920 2.120 2.096 2.139 . 0 0 "[ . 1 . 2 .]" 1
406 1 35 ALA HA 1 38 GLY H 3.480 2.780 4.340 3.594 3.091 4.366 0.026 20 0 "[ . 1 . 2 .]" 1
407 1 35 ALA HA 1 38 GLY QA 3.460 2.770 4.310 3.953 3.201 4.348 0.038 15 0 "[ . 1 . 2 .]" 1
408 1 35 ALA MB 1 36 THR H 2.650 2.120 3.180 2.590 2.277 2.920 . 0 0 "[ . 1 . 2 .]" 1
409 1 36 THR H 1 36 THR HA 2.510 2.010 3.010 2.794 2.717 2.942 . 0 0 "[ . 1 . 2 .]" 1
410 1 36 THR H 1 36 THR HB 2.820 2.260 3.380 2.559 2.382 2.884 . 0 0 "[ . 1 . 2 .]" 1
411 1 36 THR H 1 37 ILE H 2.490 . 2.990 2.801 2.476 3.009 0.019 21 0 "[ . 1 . 2 .]" 1
412 1 36 THR HA 1 36 THR HB 2.610 2.090 3.130 3.016 2.992 3.022 . 0 0 "[ . 1 . 2 .]" 1
413 1 36 THR HA 1 36 THR MG 2.490 . 2.990 2.368 2.253 2.478 . 0 0 "[ . 1 . 2 .]" 1
414 1 36 THR HA 1 39 ILE HB 2.750 2.200 3.300 2.890 2.224 3.350 0.050 20 0 "[ . 1 . 2 .]" 1
415 1 36 THR HA 1 39 ILE MD 3.250 2.600 3.980 2.704 2.571 3.566 0.029 12 0 "[ . 1 . 2 .]" 1
416 1 36 THR HA 1 39 ILE MG 3.790 3.030 4.850 4.143 3.585 4.539 . 0 0 "[ . 1 . 2 .]" 1
417 1 36 THR HB 1 36 THR MG 2.320 . 2.780 2.116 2.092 2.136 . 0 0 "[ . 1 . 2 .]" 1
418 1 36 THR HB 1 37 ILE H 2.710 2.170 3.250 2.434 2.127 2.920 0.043 20 0 "[ . 1 . 2 .]" 1
419 1 36 THR MG 1 39 ILE HB 4.330 3.460 5.770 3.861 3.445 4.707 0.015 5 0 "[ . 1 . 2 .]" 1
420 1 37 ILE H 1 37 ILE HA 2.460 . 2.950 2.778 2.731 2.829 . 0 0 "[ . 1 . 2 .]" 1
421 1 37 ILE H 1 37 ILE HB 2.470 . 2.960 2.442 2.346 2.585 . 0 0 "[ . 1 . 2 .]" 1
422 1 37 ILE H 1 37 ILE MD 2.980 2.380 3.580 3.672 3.637 3.739 0.159 19 0 "[ . 1 . 2 .]" 1
423 1 37 ILE H 1 37 ILE HG12 2.760 2.210 3.310 2.172 2.121 2.332 0.089 13 0 "[ . 1 . 2 .]" 1
424 1 37 ILE H 1 37 ILE HG13 2.590 2.070 3.110 2.861 2.321 3.225 0.115 16 0 "[ . 1 . 2 .]" 1
425 1 37 ILE H 1 38 GLY H 2.630 2.100 3.160 2.793 2.526 3.119 . 0 0 "[ . 1 . 2 .]" 1
426 1 37 ILE HA 1 37 ILE HB 3.090 2.470 3.740 2.990 2.985 2.998 . 0 0 "[ . 1 . 2 .]" 1
427 1 37 ILE HA 1 37 ILE MD 2.550 2.040 3.060 2.619 2.200 3.198 0.138 19 0 "[ . 1 . 2 .]" 1
428 1 37 ILE HA 1 37 ILE HG12 2.910 2.330 3.490 2.493 2.335 2.619 . 0 0 "[ . 1 . 2 .]" 1
429 1 37 ILE HA 1 37 ILE HG13 2.830 2.260 3.400 3.603 3.538 3.659 0.259 23 0 "[ . 1 . 2 .]" 1
430 1 37 ILE HA 1 37 ILE MG 2.600 2.080 3.120 2.415 2.305 2.514 . 0 0 "[ . 1 . 2 .]" 1
431 1 37 ILE HA 1 40 LYS HB2 3.430 2.740 4.260 3.438 2.738 4.117 0.002 24 0 "[ . 1 . 2 .]" 1
432 1 37 ILE HA 1 40 LYS HB3 3.340 2.670 4.120 3.541 2.872 4.131 0.011 23 0 "[ . 1 . 2 .]" 1
433 1 37 ILE HB 1 37 ILE MD 2.400 . 2.880 3.053 2.899 3.156 0.276 25 0 "[ . 1 . 2 .]" 1
434 1 37 ILE HB 1 37 ILE HG12 3.280 2.620 4.030 2.715 2.586 2.899 0.034 16 0 "[ . 1 . 2 .]" 1
435 1 37 ILE HB 1 37 ILE MG 2.310 . 2.770 2.120 2.091 2.136 . 0 0 "[ . 1 . 2 .]" 1
436 1 37 ILE HB 1 38 GLY H 2.500 . 3.000 2.527 2.058 2.917 . 0 0 "[ . 1 . 2 .]" 1
437 1 37 ILE MD 1 37 ILE HG12 2.240 . 2.690 2.114 2.087 2.128 . 0 0 "[ . 1 . 2 .]" 1
438 1 37 ILE HG12 1 37 ILE MG 2.660 2.130 3.190 3.077 2.890 3.193 0.003 14 0 "[ . 1 . 2 .]" 1
439 1 37 ILE HG13 1 37 ILE MG 2.620 2.100 3.140 2.776 2.562 3.079 . 0 0 "[ . 1 . 2 .]" 1
440 1 38 GLY H 1 38 GLY QA 2.000 . 2.400 2.206 2.192 2.233 . 0 0 "[ . 1 . 2 .]" 1
441 1 38 GLY H 1 39 ILE H 2.700 2.160 3.240 2.745 2.432 2.982 . 0 0 "[ . 1 . 2 .]" 1
442 1 38 GLY QA 1 39 ILE H 2.750 2.200 3.300 2.631 2.514 2.905 . 0 0 "[ . 1 . 2 .]" 1
443 1 38 GLY QA 1 41 LEU HB2 3.450 2.760 4.300 4.415 4.358 4.513 0.213 5 0 "[ . 1 . 2 .]" 1
444 1 39 ILE H 1 39 ILE HA 2.840 2.270 3.410 2.768 2.727 2.912 . 0 0 "[ . 1 . 2 .]" 1
445 1 39 ILE H 1 39 ILE HB 2.520 2.020 3.020 2.500 2.394 2.572 . 0 0 "[ . 1 . 2 .]" 1
446 1 39 ILE H 1 39 ILE MD 3.150 2.520 3.830 3.492 3.125 3.746 . 0 0 "[ . 1 . 2 .]" 1
447 1 39 ILE H 1 39 ILE HG12 3.340 2.670 4.120 3.339 3.118 3.677 . 0 0 "[ . 1 . 2 .]" 1
448 1 39 ILE H 1 39 ILE HG13 2.520 2.020 3.020 2.054 2.000 2.366 0.020 25 0 "[ . 1 . 2 .]" 1
449 1 39 ILE H 1 40 LYS H 2.680 2.140 3.220 2.742 2.246 2.860 . 0 0 "[ . 1 . 2 .]" 1
450 1 39 ILE HA 1 39 ILE HB 2.910 2.330 3.490 3.017 3.007 3.021 . 0 0 "[ . 1 . 2 .]" 1
451 1 39 ILE HA 1 39 ILE MD 3.310 2.650 4.070 3.803 3.760 3.869 . 0 0 "[ . 1 . 2 .]" 1
452 1 39 ILE HA 1 39 ILE HG12 3.080 2.460 3.720 2.514 2.440 2.740 0.020 9 0 "[ . 1 . 2 .]" 1
453 1 39 ILE HA 1 39 ILE HG13 2.890 2.310 3.470 2.929 2.575 3.096 . 0 0 "[ . 1 . 2 .]" 1
454 1 39 ILE HA 1 39 ILE MG 2.880 2.300 3.460 2.432 2.344 2.537 . 0 0 "[ . 1 . 2 .]" 1
455 1 39 ILE HA 1 40 LYS H 4.000 3.200 5.200 3.473 3.432 3.500 . 0 0 "[ . 1 . 2 .]" 1
456 1 39 ILE HA 1 42 PHE HB2 3.060 2.450 3.690 3.513 3.017 3.746 0.056 24 0 "[ . 1 . 2 .]" 1
457 1 39 ILE HA 1 42 PHE HB3 3.000 2.400 3.600 3.080 2.530 3.614 0.014 5 0 "[ . 1 . 2 .]" 1
458 1 39 ILE HB 1 39 ILE MD 2.560 2.050 3.070 2.323 2.112 2.450 . 0 0 "[ . 1 . 2 .]" 1
459 1 39 ILE HB 1 39 ILE HG12 2.780 2.220 3.340 3.020 2.998 3.025 . 0 0 "[ . 1 . 2 .]" 1
460 1 39 ILE HB 1 39 ILE MG 2.810 2.250 3.370 2.141 2.108 2.147 0.142 9 0 "[ . 1 . 2 .]" 1
461 1 39 ILE MD 1 39 ILE HG12 2.250 . 2.700 2.114 2.097 2.141 . 0 0 "[ . 1 . 2 .]" 1
462 1 39 ILE MD 1 39 ILE HG13 2.620 2.100 3.140 2.116 2.099 2.143 0.001 19 0 "[ . 1 . 2 .]" 1
463 1 39 ILE HG12 1 39 ILE MG 2.820 2.260 3.380 2.371 2.250 2.457 0.010 15 0 "[ . 1 . 2 .]" 1
464 1 39 ILE HG13 1 39 ILE MG 2.700 2.160 3.240 3.196 3.168 3.203 . 0 0 "[ . 1 . 2 .]" 1
465 1 39 ILE MG 1 40 LYS HA 3.550 2.840 4.460 3.569 3.428 3.748 . 0 0 "[ . 1 . 2 .]" 1
466 1 40 LYS H 1 40 LYS HA 2.800 2.240 3.360 2.894 2.875 2.920 . 0 0 "[ . 1 . 2 .]" 1
467 1 40 LYS H 1 41 LEU H 2.940 2.350 3.530 2.696 2.344 2.827 0.006 5 0 "[ . 1 . 2 .]" 1
468 1 40 LYS HA 1 43 LYS HB3 3.230 2.580 3.950 3.165 2.549 3.985 0.035 19 0 "[ . 1 . 2 .]" 1
469 1 40 LYS HB3 1 40 LYS QG 3.060 2.450 3.690 2.454 2.207 2.538 0.243 10 0 "[ . 1 . 2 .]" 1
470 1 40 LYS HE2 1 41 LEU QD 5.050 4.040 7.100 5.664 4.033 6.991 0.007 13 0 "[ . 1 . 2 .]" 1
471 1 41 LEU H 1 41 LEU HA 2.710 2.170 3.250 2.775 2.730 2.836 . 0 0 "[ . 1 . 2 .]" 1
472 1 41 LEU H 1 41 LEU HB3 2.520 2.020 3.020 2.655 2.594 2.782 . 0 0 "[ . 1 . 2 .]" 1
473 1 41 LEU H 1 41 LEU QD 3.120 2.500 3.780 2.796 2.611 3.037 . 0 0 "[ . 1 . 2 .]" 1
474 1 41 LEU H 1 41 LEU HG 2.520 2.020 3.020 1.968 1.920 2.104 0.100 6 0 "[ . 1 . 2 .]" 1
475 1 41 LEU HA 1 41 LEU HB2 2.860 2.290 3.430 2.520 2.432 2.571 . 0 0 "[ . 1 . 2 .]" 1
476 1 41 LEU HA 1 41 LEU HB3 3.200 2.560 3.900 2.410 2.373 2.467 0.187 6 0 "[ . 1 . 2 .]" 1
477 1 41 LEU HA 1 41 LEU HG 3.670 2.940 4.650 3.553 3.514 3.667 . 0 0 "[ . 1 . 2 .]" 1
478 1 41 LEU HA 1 42 PHE H 2.810 2.250 3.370 3.502 3.466 3.541 0.171 6 0 "[ . 1 . 2 .]" 1
479 1 41 LEU HB2 1 41 LEU QD 2.660 2.130 3.190 2.076 2.044 2.101 0.086 5 0 "[ . 1 . 2 .]" 1
480 1 41 LEU HB2 1 41 LEU HG 3.280 2.620 4.030 2.946 2.907 2.977 . 0 0 "[ . 1 . 2 .]" 1
481 1 41 LEU HB2 1 42 PHE H 2.890 2.310 3.470 3.526 3.142 3.700 0.230 5 0 "[ . 1 . 2 .]" 1
482 1 41 LEU HB3 1 41 LEU HG 2.930 2.340 3.520 2.689 2.584 2.784 . 0 0 "[ . 1 . 2 .]" 1
483 1 41 LEU HG 1 42 PHE H 2.560 2.050 3.070 2.064 1.945 2.226 0.105 6 0 "[ . 1 . 2 .]" 1
484 1 42 PHE H 1 42 PHE HA 3.200 2.560 3.900 2.795 2.718 2.910 . 0 0 "[ . 1 . 2 .]" 1
485 1 42 PHE H 1 42 PHE HB2 2.450 . 2.940 2.239 2.113 2.492 . 0 0 "[ . 1 . 2 .]" 1
486 1 42 PHE H 1 42 PHE HB3 2.450 . 2.940 2.854 2.562 3.019 0.079 24 0 "[ . 1 . 2 .]" 1
487 1 42 PHE H 1 43 LYS H 2.660 2.130 3.190 2.696 2.319 2.988 . 0 0 "[ . 1 . 2 .]" 1
488 1 42 PHE HA 1 42 PHE HB2 2.520 2.020 3.020 2.611 2.420 2.753 . 0 0 "[ . 1 . 2 .]" 1
489 1 42 PHE HA 1 42 PHE HB3 2.680 2.140 3.220 2.982 2.913 3.018 . 0 0 "[ . 1 . 2 .]" 1
490 1 42 PHE HA 1 42 PHE QD 3.160 2.530 3.850 2.895 2.641 3.046 . 0 0 "[ . 1 . 2 .]" 1
491 1 42 PHE HA 1 45 PHE HB2 3.740 2.990 4.760 3.405 2.934 4.337 0.056 14 0 "[ . 1 . 2 .]" 1
492 1 42 PHE HA 1 45 PHE HB3 2.590 2.070 3.110 2.899 2.223 3.187 0.077 12 0 "[ . 1 . 2 .]" 1
493 1 42 PHE HB2 1 42 PHE QD 2.970 2.380 3.560 2.399 2.309 2.510 0.071 15 0 "[ . 1 . 2 .]" 1
494 1 42 PHE HB2 1 43 LYS H 3.090 2.470 3.740 3.768 3.499 3.844 0.104 17 0 "[ . 1 . 2 .]" 1
495 1 42 PHE HB3 1 42 PHE QD 2.970 2.380 3.560 2.409 2.324 2.568 0.056 11 0 "[ . 1 . 2 .]" 1
496 1 42 PHE HB3 1 43 LYS H 3.090 2.470 3.740 2.903 2.413 3.240 0.057 18 0 "[ . 1 . 2 .]" 1
497 1 43 LYS H 1 43 LYS HA 2.890 2.310 3.470 2.835 2.605 2.925 . 0 0 "[ . 1 . 2 .]" 1
498 1 43 LYS H 1 43 LYS HB2 2.790 2.230 3.350 3.016 2.131 3.526 0.176 18 0 "[ . 1 . 2 .]" 1
499 1 43 LYS H 1 43 LYS HB3 2.790 2.230 3.350 2.288 2.079 3.273 0.151 10 0 "[ . 1 . 2 .]" 1
500 1 43 LYS H 1 43 LYS HG2 2.990 2.390 3.590 3.765 2.866 4.088 0.498 14 0 "[ . 1 . 2 .]" 1
501 1 43 LYS H 1 44 LYS H 3.030 2.420 3.650 2.640 2.355 3.474 0.065 5 0 "[ . 1 . 2 .]" 1
502 1 43 LYS HA 1 43 LYS HB2 2.950 2.360 3.540 2.333 2.241 2.769 0.119 10 0 "[ . 1 . 2 .]" 1
503 1 43 LYS HA 1 43 LYS HB3 2.950 2.360 3.540 2.919 2.467 3.016 . 0 0 "[ . 1 . 2 .]" 1
504 1 43 LYS HA 1 43 LYS QD 3.060 2.450 3.690 3.650 2.420 3.901 0.211 10 0 "[ . 1 . 2 .]" 1
505 1 43 LYS HA 1 43 LYS QE 3.710 2.970 4.720 4.458 2.966 4.739 0.019 18 0 "[ . 1 . 2 .]" 1
506 1 43 LYS HA 1 43 LYS HG2 3.020 2.420 3.630 3.535 2.194 4.027 0.397 18 0 "[ . 1 . 2 .]" 1
507 1 43 LYS HA 1 43 LYS HG3 3.100 2.480 3.750 3.049 2.892 3.559 . 0 0 "[ . 1 . 2 .]" 1
508 1 43 LYS HA 1 44 LYS H 3.380 2.700 4.180 3.521 3.444 3.569 . 0 0 "[ . 1 . 2 .]" 1
509 1 43 LYS QD 1 43 LYS QE 2.570 2.060 3.080 2.052 2.005 2.097 0.055 11 0 "[ . 1 . 2 .]" 1
510 1 43 LYS QE 1 43 LYS HG3 3.760 3.010 4.800 3.294 3.000 3.552 0.010 6 0 "[ . 1 . 2 .]" 1
511 1 43 LYS HG2 1 44 LYS HG3 3.550 2.840 4.460 3.642 2.850 4.622 0.162 6 0 "[ . 1 . 2 .]" 1
512 1 44 LYS H 1 45 PHE H 2.700 2.160 3.240 2.489 2.141 3.050 0.019 18 0 "[ . 1 . 2 .]" 1
513 1 44 LYS HA 1 44 LYS HB2 2.670 2.140 3.200 2.991 2.924 3.022 . 0 0 "[ . 1 . 2 .]" 1
514 1 44 LYS HA 1 45 PHE H 2.860 2.290 3.430 3.455 3.381 3.554 0.124 19 0 "[ . 1 . 2 .]" 1
515 1 44 LYS HB2 1 44 LYS HG2 3.360 2.690 4.150 2.907 2.628 3.051 0.062 25 0 "[ . 1 . 2 .]" 1
516 1 44 LYS HB2 1 44 LYS HG3 3.050 2.440 3.680 2.362 2.271 2.681 0.169 21 0 "[ . 1 . 2 .]" 1
517 1 44 LYS HB2 1 45 PHE H 2.740 2.190 3.290 2.966 2.112 3.339 0.078 19 0 "[ . 1 . 2 .]" 1
518 1 44 LYS HB3 1 44 LYS QE 3.980 3.180 5.170 3.250 3.091 3.422 0.089 22 0 "[ . 1 . 2 .]" 1
519 1 44 LYS HB3 1 44 LYS HG2 3.340 2.670 4.120 2.724 2.362 3.016 0.308 24 0 "[ . 1 . 2 .]" 1
520 1 44 LYS HB3 1 44 LYS HG3 3.100 2.480 3.750 2.900 2.618 3.047 . 0 0 "[ . 1 . 2 .]" 1
521 1 44 LYS HD2 1 44 LYS HG2 3.050 2.440 3.680 2.634 2.441 2.681 . 0 0 "[ . 1 . 2 .]" 1
522 1 44 LYS HD2 1 44 LYS HG3 2.730 2.180 3.280 2.320 2.284 2.481 . 0 0 "[ . 1 . 2 .]" 1
523 1 44 LYS HD3 1 44 LYS QE 3.090 2.470 3.740 2.301 2.196 2.482 0.274 24 0 "[ . 1 . 2 .]" 1
524 1 44 LYS HD3 1 44 LYS HG3 2.690 2.150 3.230 2.631 2.432 2.684 . 0 0 "[ . 1 . 2 .]" 1
525 1 44 LYS QE 1 44 LYS HG2 3.330 2.660 4.110 2.624 2.379 3.054 0.281 15 0 "[ . 1 . 2 .]" 1
526 1 44 LYS QE 1 44 LYS HG3 3.970 3.180 5.150 3.493 3.316 3.659 . 0 0 "[ . 1 . 2 .]" 1
527 1 45 PHE H 1 45 PHE HB2 2.570 2.060 3.080 2.637 2.219 3.054 . 0 0 "[ . 1 . 2 .]" 1
528 1 45 PHE H 1 45 PHE HB3 3.230 2.580 3.950 2.764 2.499 3.416 0.081 16 0 "[ . 1 . 2 .]" 1
529 1 45 PHE H 1 46 THR H 2.660 2.130 3.190 2.923 2.456 3.256 0.066 12 0 "[ . 1 . 2 .]" 1
530 1 45 PHE HA 1 45 PHE HB2 2.840 2.270 3.410 2.484 2.327 2.756 . 0 0 "[ . 1 . 2 .]" 1
531 1 45 PHE HA 1 45 PHE HB3 2.780 2.220 3.340 3.010 2.918 3.027 . 0 0 "[ . 1 . 2 .]" 1
532 1 45 PHE HB3 1 46 THR MG 3.970 3.180 5.150 3.778 3.157 5.175 0.025 8 0 "[ . 1 . 2 .]" 1
533 1 46 THR H 1 46 THR HA 2.370 . 2.840 2.922 2.898 2.944 0.104 1 0 "[ . 1 . 2 .]" 1
534 1 46 THR H 1 46 THR MG 2.830 2.260 3.400 3.076 2.198 3.647 0.247 23 0 "[ . 1 . 2 .]" 1
535 1 46 THR H 1 47 SER H 2.450 . 2.940 2.697 1.923 2.952 0.037 4 0 "[ . 1 . 2 .]" 1
536 1 46 THR HA 1 46 THR HB 2.430 . 2.920 2.583 2.362 2.990 0.070 23 0 "[ . 1 . 2 .]" 1
537 1 46 THR HA 1 46 THR MG 2.660 2.130 3.190 2.336 2.084 3.209 0.046 9 0 "[ . 1 . 2 .]" 1
538 1 46 THR HA 1 47 SER H 2.990 2.390 3.590 3.102 2.528 3.564 . 0 0 "[ . 1 . 2 .]" 1
539 1 46 THR HB 1 46 THR MG 2.600 2.080 3.120 2.119 2.091 2.134 . 0 0 "[ . 1 . 2 .]" 1
540 1 47 SER H 1 47 SER HA 3.070 2.460 3.710 2.742 2.317 2.959 0.143 16 0 "[ . 1 . 2 .]" 1
541 1 47 SER H 1 47 SER QB 2.610 2.090 3.130 2.715 2.103 3.189 0.059 9 0 "[ . 1 . 2 .]" 1
542 1 47 SER HA 1 47 SER QB 2.510 2.010 3.010 2.387 2.153 2.537 . 0 0 "[ . 1 . 2 .]" 1
543 1 47 SER QB 1 48 LYS H 2.820 2.260 3.380 2.872 2.218 3.498 0.118 6 0 "[ . 1 . 2 .]" 1
544 1 48 LYS H 1 48 LYS HA 1.970 . 2.360 2.429 2.282 2.853 0.493 16 0 "[ . 1 . 2 .]" 1
545 1 48 LYS H 1 48 LYS HB2 2.620 2.100 3.140 3.151 2.653 3.377 0.237 11 0 "[ . 1 . 2 .]" 1
546 1 48 LYS H 1 48 LYS QD 2.620 2.100 3.140 2.693 2.037 3.231 0.091 20 0 "[ . 1 . 2 .]" 1
547 1 48 LYS H 1 48 LYS QG 2.560 2.050 3.070 2.411 1.937 3.151 0.113 15 0 "[ . 1 . 2 .]" 1
548 1 48 LYS HA 1 48 LYS HB2 2.980 2.380 3.580 3.005 2.981 3.014 . 0 0 "[ . 1 . 2 .]" 1
549 1 48 LYS HA 1 48 LYS HB3 2.670 2.140 3.200 2.461 2.325 2.539 . 0 0 "[ . 1 . 2 .]" 1
550 1 48 LYS HA 1 48 LYS QD 2.970 2.380 3.560 2.712 2.261 3.680 0.120 23 0 "[ . 1 . 2 .]" 1
551 1 48 LYS HA 1 48 LYS QG 3.260 2.610 4.000 2.709 2.351 3.202 0.259 11 0 "[ . 1 . 2 .]" 1
552 1 48 LYS HB2 1 48 LYS QG 2.290 . 2.750 2.278 2.161 2.502 . 0 0 "[ . 1 . 2 .]" 1
553 1 48 LYS HB3 1 48 LYS QG 2.390 . 2.870 2.308 2.160 2.463 . 0 0 "[ . 1 . 2 .]" 1
554 1 48 LYS QD 1 48 LYS QE 2.100 . 2.520 1.998 1.945 2.104 . 0 0 "[ . 1 . 2 .]" 1
555 1 48 LYS QD 1 48 LYS QG 1.630 . 1.960 2.026 1.959 2.093 0.133 19 0 "[ . 1 . 2 .]" 1
556 1 48 LYS QE 1 48 LYS QG 3.330 2.660 4.110 2.637 2.556 2.923 0.104 10 0 "[ . 1 . 2 .]" 1
557 1 49 ALA H 1 49 ALA HA 2.380 . 2.860 2.805 2.735 2.905 0.045 1 0 "[ . 1 . 2 .]" 1
558 1 49 ALA H 1 49 ALA MB 1.570 . 1.880 1.982 1.973 2.037 0.157 1 0 "[ . 1 . 2 .]" 1
559 1 49 ALA HA 1 49 ALA MB 2.460 . 2.950 2.094 2.092 2.095 . 0 0 "[ . 1 . 2 .]" 1
560 1 49 ALA HA 1 50 SER H 2.640 2.110 3.170 2.379 2.143 3.110 . 0 0 "[ . 1 . 2 .]" 1
561 1 50 SER HA 1 50 SER QB 2.570 2.060 3.080 2.416 2.172 2.534 . 0 0 "[ . 1 . 2 .]" 1
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