NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
621636 |
5woc   |
30319 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5woc
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 452
_Distance_constraint_stats_list.Viol_count 573
_Distance_constraint_stats_list.Viol_total 2547.386
_Distance_constraint_stats_list.Viol_max 0.552
_Distance_constraint_stats_list.Viol_rms 0.0609
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0141
_Distance_constraint_stats_list.Viol_average_violations_only 0.2223
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 SER 0.001 0.001 17 0 "[ . 1 . 2]"
1 2 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLU 13.779 0.397 13 0 "[ . 1 . 2]"
1 4 GLU 2.673 0.540 20 1 "[ . 1 . +]"
1 5 ARG 12.930 0.397 13 0 "[ . 1 . 2]"
1 6 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLN 9.531 0.384 2 0 "[ . 1 . 2]"
1 8 LEU 10.040 0.540 20 1 "[ . 1 . +]"
1 9 CYS 0.124 0.124 17 0 "[ . 1 . 2]"
1 10 THR 17.980 0.469 17 0 "[ . 1 . 2]"
1 11 ALA 0.320 0.146 6 0 "[ . 1 . 2]"
1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLU 6.452 0.427 2 0 "[ . 1 . 2]"
1 14 LYS 8.645 0.469 17 0 "[ . 1 . 2]"
1 15 ALA 5.919 0.187 5 0 "[ . 1 . 2]"
1 16 ASP 2.840 0.150 8 0 "[ . 1 . 2]"
1 17 GLU 3.784 0.402 16 0 "[ . 1 . 2]"
1 18 LEU 10.239 0.366 20 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 1 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 GLU 13.585 0.409 13 0 "[ . 1 . 2]"
2 4 GLU 2.692 0.552 20 1 "[ . 1 . +]"
2 5 ARG 15.259 0.409 13 0 "[ . 1 . 2]"
2 6 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 GLN 9.889 0.403 2 0 "[ . 1 . 2]"
2 8 LEU 12.447 0.552 20 1 "[ . 1 . +]"
2 9 CYS 0.101 0.101 17 0 "[ . 1 . 2]"
2 10 THR 18.149 0.465 17 0 "[ . 1 . 2]"
2 11 ALA 0.340 0.167 6 0 "[ . 1 . 2]"
2 12 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 GLU 6.289 0.444 2 0 "[ . 1 . 2]"
2 14 LYS 8.420 0.465 17 0 "[ . 1 . 2]"
2 15 ALA 5.974 0.190 5 0 "[ . 1 . 2]"
2 16 ASP 2.809 0.153 8 0 "[ . 1 . 2]"
2 17 GLU 3.739 0.402 16 0 "[ . 1 . 2]"
2 18 LEU 10.311 0.365 10 0 "[ . 1 . 2]"
2 19 GLY 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 1 SER HA 1 1 SER QB 2.400 . 3.000 2.250 2.155 2.368 . 0 0 "[ . 1 . 2]" 1
2 1 1 SER HA 1 3 GLU H 4.000 . 6.200 3.535 3.395 3.625 . 0 0 "[ . 1 . 2]" 1
3 1 1 SER HA 1 4 GLU H 3.900 . 6.000 3.875 3.700 4.054 . 0 0 "[ . 1 . 2]" 1
4 1 1 SER QB 1 3 GLU H 3.900 . 6.000 4.056 3.876 4.616 . 0 0 "[ . 1 . 2]" 1
5 1 1 SER QB 1 4 GLU H 3.570 . 5.350 2.784 2.577 3.570 . 0 0 "[ . 1 . 2]" 1
6 1 1 SER HG 1 3 GLU H 3.900 . 6.000 5.411 2.974 6.001 0.001 17 0 "[ . 1 . 2]" 1
7 1 1 SER HG 1 4 GLU H 3.900 . 6.000 4.369 1.902 5.388 . 0 0 "[ . 1 . 2]" 1
8 1 2 PRO HA 1 2 PRO HB3 2.580 . 3.370 2.317 2.298 2.333 . 0 0 "[ . 1 . 2]" 1
9 1 2 PRO HA 1 2 PRO QD 2.720 . 3.650 3.326 3.244 3.388 . 0 0 "[ . 1 . 2]" 1
10 1 2 PRO HA 1 2 PRO HG2 2.970 . 4.140 3.901 3.868 3.937 . 0 0 "[ . 1 . 2]" 1
11 1 2 PRO HA 1 3 GLU H 3.550 . 5.300 3.543 3.506 3.565 . 0 0 "[ . 1 . 2]" 1
12 1 2 PRO HA 1 5 ARG H 3.900 . 6.000 3.440 3.260 3.653 . 0 0 "[ . 1 . 2]" 1
13 1 2 PRO HA 1 5 ARG HB2 3.300 . 4.810 3.539 3.309 3.832 . 0 0 "[ . 1 . 2]" 1
14 1 2 PRO HA 1 5 ARG HB3 3.490 . 5.190 2.468 2.306 2.894 . 0 0 "[ . 1 . 2]" 1
15 1 2 PRO HA 1 6 ALA H 3.240 . 4.680 4.159 3.919 4.509 . 0 0 "[ . 1 . 2]" 1
16 1 2 PRO HB2 1 2 PRO QD 2.790 . 3.780 3.169 2.789 3.554 . 0 0 "[ . 1 . 2]" 1
17 1 2 PRO HB2 1 2 PRO HG3 2.580 . 3.360 2.852 2.666 3.005 . 0 0 "[ . 1 . 2]" 1
18 1 2 PRO HB3 1 2 PRO QD 2.990 . 4.190 3.238 2.847 3.558 . 0 0 "[ . 1 . 2]" 1
19 1 2 PRO HB3 1 2 PRO HG2 2.750 . 3.710 2.799 2.624 2.990 . 0 0 "[ . 1 . 2]" 1
20 1 2 PRO QD 1 2 PRO HG2 2.530 . 3.260 2.233 2.209 2.263 . 0 0 "[ . 1 . 2]" 1
21 1 2 PRO QD 1 2 PRO HG3 2.530 . 3.260 2.230 2.191 2.264 . 0 0 "[ . 1 . 2]" 1
22 1 2 PRO QD 1 3 GLU H 3.210 . 4.620 2.814 2.693 2.966 . 0 0 "[ . 1 . 2]" 1
23 1 3 GLU H 1 3 GLU HA 2.950 . 4.100 2.844 2.832 2.862 . 0 0 "[ . 1 . 2]" 1
24 1 3 GLU H 1 3 GLU HB2 2.710 . 3.630 2.394 2.347 2.541 . 0 0 "[ . 1 . 2]" 1
25 1 3 GLU H 1 3 GLU HB3 2.740 . 3.680 3.370 2.546 3.576 . 0 0 "[ . 1 . 2]" 1
26 1 3 GLU H 1 3 GLU HG2 3.260 . 4.730 3.804 3.572 4.675 . 0 0 "[ . 1 . 2]" 1
27 1 3 GLU H 1 3 GLU HG3 3.900 . 6.000 2.687 2.206 4.441 . 0 0 "[ . 1 . 2]" 1
28 1 3 GLU H 1 4 GLU H 3.030 . 4.270 2.623 2.570 2.690 . 0 0 "[ . 1 . 2]" 1
29 1 3 GLU HA 1 3 GLU HB2 2.700 . 3.600 2.922 2.470 3.035 . 0 0 "[ . 1 . 2]" 1
30 1 3 GLU HA 1 3 GLU HB3 2.640 . 3.480 2.624 2.518 3.027 . 0 0 "[ . 1 . 2]" 1
31 1 3 GLU HA 1 3 GLU HG2 2.730 . 3.660 2.681 2.476 3.679 0.019 14 0 "[ . 1 . 2]" 1
32 1 3 GLU HA 1 3 GLU HG3 2.980 . 4.160 2.715 2.342 2.796 . 0 0 "[ . 1 . 2]" 1
33 1 3 GLU HA 1 4 GLU H 2.920 . 4.040 3.549 3.536 3.559 . 0 0 "[ . 1 . 2]" 1
34 1 3 GLU HA 1 6 ALA H 3.030 . 4.260 3.429 3.272 3.580 . 0 0 "[ . 1 . 2]" 1
35 1 3 GLU HA 1 7 GLN H 2.920 . 4.040 4.277 4.146 4.415 0.375 14 0 "[ . 1 . 2]" 1
36 1 3 GLU HB2 1 3 GLU HG3 2.760 . 3.730 2.585 2.501 3.024 . 0 0 "[ . 1 . 2]" 1
37 1 3 GLU HB2 1 4 GLU H 3.160 . 4.530 2.861 2.554 3.917 . 0 0 "[ . 1 . 2]" 1
38 1 3 GLU HB3 1 3 GLU HG3 2.570 . 3.350 2.979 2.583 3.026 . 0 0 "[ . 1 . 2]" 1
39 1 3 GLU HB3 1 4 GLU H 3.000 . 4.200 3.377 2.587 3.595 . 0 0 "[ . 1 . 2]" 1
40 1 3 GLU HG3 1 5 ARG HD2 4.600 . 7.400 7.652 7.517 7.797 0.397 13 0 "[ . 1 . 2]" 1
41 1 3 GLU HG3 1 5 ARG HD3 4.600 . 7.400 7.598 7.476 7.729 0.329 16 0 "[ . 1 . 2]" 1
42 1 4 GLU H 1 4 GLU HA 2.760 . 3.730 2.843 2.818 2.861 . 0 0 "[ . 1 . 2]" 1
43 1 4 GLU H 1 4 GLU QB 2.650 . 3.510 2.298 2.242 2.383 . 0 0 "[ . 1 . 2]" 1
44 1 4 GLU H 1 4 GLU QG 2.850 . 3.900 3.242 2.271 4.036 0.136 9 0 "[ . 1 . 2]" 1
45 1 4 GLU H 1 5 ARG H 3.030 . 4.260 2.565 2.507 2.623 . 0 0 "[ . 1 . 2]" 1
46 1 4 GLU HA 1 4 GLU QB 2.600 . 3.410 2.386 2.351 2.416 . 0 0 "[ . 1 . 2]" 1
47 1 4 GLU HA 1 4 GLU QG 2.760 . 3.720 2.471 2.290 2.857 . 0 0 "[ . 1 . 2]" 1
48 1 4 GLU QB 1 4 GLU QG 2.300 . 2.810 2.081 2.024 2.109 . 0 0 "[ . 1 . 2]" 1
49 1 4 GLU QB 1 5 ARG H 3.210 . 4.630 2.588 2.529 2.665 . 0 0 "[ . 1 . 2]" 1
50 1 4 GLU QB 1 5 ARG HB2 3.360 . 4.930 4.359 4.299 4.414 . 0 0 "[ . 1 . 2]" 1
51 1 4 GLU QG 1 8 LEU MD2 3.160 . 4.520 4.038 2.503 5.060 0.540 20 1 "[ . 1 . +]" 1
52 1 5 ARG H 1 5 ARG HB2 3.000 . 4.210 2.715 2.680 2.766 . 0 0 "[ . 1 . 2]" 1
53 1 5 ARG H 1 5 ARG HB3 3.270 . 4.750 2.287 2.255 2.328 . 0 0 "[ . 1 . 2]" 1
54 1 5 ARG H 1 5 ARG HG2 3.900 . 6.000 4.425 4.416 4.441 . 0 0 "[ . 1 . 2]" 1
55 1 5 ARG H 1 5 ARG HG3 3.160 . 4.520 4.651 4.624 4.679 0.159 4 0 "[ . 1 . 2]" 1
56 1 5 ARG H 1 6 ALA H 2.990 . 4.180 2.738 2.670 2.809 . 0 0 "[ . 1 . 2]" 1
57 1 5 ARG H 1 6 ALA HA 3.640 . 5.490 5.319 5.247 5.378 . 0 0 "[ . 1 . 2]" 1
58 1 5 ARG HA 1 5 ARG HB2 2.900 . 4.000 2.354 2.336 2.373 . 0 0 "[ . 1 . 2]" 1
59 1 5 ARG HA 1 5 ARG HB3 2.870 . 3.950 3.014 3.004 3.023 . 0 0 "[ . 1 . 2]" 1
60 1 5 ARG HA 1 5 ARG HG2 2.780 . 3.770 2.625 2.577 2.661 . 0 0 "[ . 1 . 2]" 1
61 1 5 ARG HA 1 5 ARG HG3 3.020 . 4.250 3.561 3.507 3.605 . 0 0 "[ . 1 . 2]" 1
62 1 5 ARG HA 1 8 LEU MD1 3.610 . 5.430 3.223 2.549 5.154 . 0 0 "[ . 1 . 2]" 1
63 1 5 ARG HA 1 9 CYS H 3.900 . 6.000 3.741 3.430 4.100 . 0 0 "[ . 1 . 2]" 1
64 1 5 ARG HB2 1 5 ARG HD2 3.180 . 4.570 3.451 3.398 3.482 . 0 0 "[ . 1 . 2]" 1
65 1 5 ARG HB2 1 5 ARG HD3 3.130 . 4.470 3.779 3.729 3.905 . 0 0 "[ . 1 . 2]" 1
66 1 5 ARG HB2 1 6 ALA H 3.040 . 4.290 3.983 3.925 4.030 . 0 0 "[ . 1 . 2]" 1
67 1 5 ARG HB3 1 5 ARG HD2 3.120 . 4.440 2.362 2.260 2.415 . 0 0 "[ . 1 . 2]" 1
68 1 5 ARG HB3 1 5 ARG HD3 3.080 . 4.360 2.654 2.544 2.909 . 0 0 "[ . 1 . 2]" 1
69 1 5 ARG HB3 1 5 ARG HG3 2.670 . 3.540 2.745 2.712 2.787 . 0 0 "[ . 1 . 2]" 1
70 1 5 ARG HB3 1 6 ALA H 3.200 . 4.610 2.633 2.542 2.700 . 0 0 "[ . 1 . 2]" 1
71 1 5 ARG HD2 1 5 ARG HG2 2.920 . 4.050 3.043 3.037 3.050 . 0 0 "[ . 1 . 2]" 1
72 1 5 ARG HD2 1 5 ARG HG3 2.940 . 4.090 2.479 2.443 2.582 . 0 0 "[ . 1 . 2]" 1
73 1 5 ARG HD3 1 5 ARG HG2 2.880 . 3.970 2.488 2.403 2.524 . 0 0 "[ . 1 . 2]" 1
74 1 5 ARG HD3 1 5 ARG HG3 2.890 . 3.980 3.034 3.027 3.042 . 0 0 "[ . 1 . 2]" 1
75 1 5 ARG HG2 1 8 LEU H 3.400 . 5.000 5.047 4.856 5.214 0.214 8 0 "[ . 1 . 2]" 1
76 1 5 ARG HG2 1 8 LEU QB 3.290 . 4.790 4.057 3.793 4.526 . 0 0 "[ . 1 . 2]" 1
77 1 5 ARG HG2 1 9 CYS H 3.140 . 4.490 3.848 3.604 4.280 . 0 0 "[ . 1 . 2]" 1
78 1 6 ALA H 1 6 ALA HA 2.540 . 3.280 2.804 2.782 2.827 . 0 0 "[ . 1 . 2]" 1
79 1 6 ALA H 1 6 ALA MB 2.360 . 2.930 2.211 2.174 2.234 . 0 0 "[ . 1 . 2]" 1
80 1 6 ALA H 1 7 GLN H 2.480 . 3.170 2.756 2.693 2.805 . 0 0 "[ . 1 . 2]" 1
81 1 6 ALA HA 1 6 ALA MB 2.240 . 2.690 2.140 2.133 2.147 . 0 0 "[ . 1 . 2]" 1
82 1 6 ALA HA 1 9 CYS HB2 3.190 . 4.580 2.894 2.387 3.915 . 0 0 "[ . 1 . 2]" 1
83 1 6 ALA HA 1 9 CYS HB3 3.160 . 4.520 3.313 2.559 4.360 . 0 0 "[ . 1 . 2]" 1
84 1 6 ALA HA 1 10 THR H 3.490 . 5.190 4.314 4.194 4.488 . 0 0 "[ . 1 . 2]" 1
85 1 6 ALA MB 1 7 GLN H 2.780 . 3.760 2.429 2.363 2.532 . 0 0 "[ . 1 . 2]" 1
86 1 6 ALA MB 1 10 THR H 3.600 . 5.410 4.863 4.779 5.041 . 0 0 "[ . 1 . 2]" 1
87 1 7 GLN H 1 7 GLN HA 2.920 . 4.050 2.857 2.825 2.875 . 0 0 "[ . 1 . 2]" 1
88 1 7 GLN H 1 7 GLN QB 2.660 . 3.530 2.326 2.219 2.416 . 0 0 "[ . 1 . 2]" 1
89 1 7 GLN H 1 7 GLN HG2 3.500 . 5.200 3.469 2.207 4.649 . 0 0 "[ . 1 . 2]" 1
90 1 7 GLN H 1 7 GLN HG3 3.160 . 4.530 3.622 2.251 4.589 0.059 6 0 "[ . 1 . 2]" 1
91 1 7 GLN HA 1 7 GLN QB 2.490 . 3.180 2.398 2.370 2.445 . 0 0 "[ . 1 . 2]" 1
92 1 7 GLN HA 1 7 GLN HG2 2.800 . 3.800 2.927 2.303 3.706 . 0 0 "[ . 1 . 2]" 1
93 1 7 GLN HA 1 7 GLN HG3 3.050 . 4.310 3.134 2.406 3.708 . 0 0 "[ . 1 . 2]" 1
94 1 7 GLN HA 1 10 THR H 3.060 . 4.320 3.607 3.499 4.036 . 0 0 "[ . 1 . 2]" 1
95 1 7 GLN HA 1 10 THR MG 2.910 . 4.030 4.166 3.307 4.414 0.384 2 0 "[ . 1 . 2]" 1
96 1 7 GLN HA 1 11 ALA H 3.370 . 4.940 4.618 4.475 5.086 0.146 6 0 "[ . 1 . 2]" 1
97 1 7 GLN HE21 1 7 GLN HG2 3.280 . 4.770 2.712 2.244 3.426 . 0 0 "[ . 1 . 2]" 1
98 1 7 GLN HE21 1 7 GLN HG3 3.360 . 4.930 2.811 2.240 3.296 . 0 0 "[ . 1 . 2]" 1
99 1 7 GLN HE22 1 7 GLN HG2 3.790 . 5.790 3.708 3.510 4.025 . 0 0 "[ . 1 . 2]" 1
100 1 7 GLN HE22 1 7 GLN HG3 3.900 . 6.000 3.749 3.508 3.960 . 0 0 "[ . 1 . 2]" 1
101 1 8 LEU H 1 8 LEU HA 2.880 . 3.960 2.839 2.819 2.906 . 0 0 "[ . 1 . 2]" 1
102 1 8 LEU H 1 8 LEU QB 3.020 . 4.250 2.298 2.161 2.376 . 0 0 "[ . 1 . 2]" 1
103 1 8 LEU H 1 8 LEU MD1 3.390 . 4.990 3.276 2.119 4.061 . 0 0 "[ . 1 . 2]" 1
104 1 8 LEU H 1 8 LEU MD2 3.110 . 4.420 3.501 2.027 4.082 . 0 0 "[ . 1 . 2]" 1
105 1 8 LEU H 1 8 LEU HG 3.060 . 4.330 2.835 2.291 4.147 . 0 0 "[ . 1 . 2]" 1
106 1 8 LEU H 1 9 CYS H 2.700 . 3.600 2.588 2.365 2.647 . 0 0 "[ . 1 . 2]" 1
107 1 8 LEU HA 1 8 LEU QB 2.580 . 3.360 2.425 2.376 2.505 . 0 0 "[ . 1 . 2]" 1
108 1 8 LEU HA 1 8 LEU MD1 2.580 . 3.370 3.333 2.204 3.783 0.413 10 0 "[ . 1 . 2]" 1
109 1 8 LEU HA 1 8 LEU MD2 2.580 . 3.370 2.459 2.121 3.730 0.360 12 0 "[ . 1 . 2]" 1
110 1 8 LEU HA 1 8 LEU HG 3.290 . 4.790 2.788 2.239 3.630 . 0 0 "[ . 1 . 2]" 1
111 1 8 LEU HA 1 9 CYS H 2.880 . 3.960 3.512 3.439 3.533 . 0 0 "[ . 1 . 2]" 1
112 1 8 LEU HA 1 11 ALA MB 2.570 . 3.350 2.734 2.522 3.005 . 0 0 "[ . 1 . 2]" 1
113 1 8 LEU QB 1 8 LEU MD2 2.980 . 4.170 2.197 2.082 2.397 . 0 0 "[ . 1 . 2]" 1
114 1 8 LEU QB 1 9 CYS H 3.320 . 4.850 2.703 2.568 3.112 . 0 0 "[ . 1 . 2]" 1
115 1 8 LEU MD1 2 11 ALA MB 3.320 . 4.840 2.703 1.983 4.595 . 0 0 "[ . 1 . 2]" 1
116 1 8 LEU MD1 2 12 ALA MB 3.320 . 4.840 3.434 2.316 4.651 . 0 0 "[ . 1 . 2]" 1
117 1 8 LEU MD2 1 9 CYS H 3.620 . 5.440 4.708 4.067 5.073 . 0 0 "[ . 1 . 2]" 1
118 1 8 LEU MD2 2 11 ALA MB 3.320 . 4.840 2.649 1.975 3.763 . 0 0 "[ . 1 . 2]" 1
119 1 8 LEU MD2 2 12 ALA MB 3.320 . 4.840 3.829 2.793 4.484 . 0 0 "[ . 1 . 2]" 1
120 1 9 CYS H 1 9 CYS HB2 2.830 . 3.860 2.298 2.068 2.890 . 0 0 "[ . 1 . 2]" 1
121 1 9 CYS H 1 9 CYS HB3 2.860 . 3.930 2.995 2.212 3.557 . 0 0 "[ . 1 . 2]" 1
122 1 9 CYS H 1 10 THR H 2.510 . 3.220 2.688 2.636 2.783 . 0 0 "[ . 1 . 2]" 1
123 1 9 CYS HA 1 12 ALA MB 3.240 . 4.680 2.757 2.530 3.047 . 0 0 "[ . 1 . 2]" 1
124 1 9 CYS HA 1 13 GLU H 3.320 . 4.850 3.795 3.272 4.104 . 0 0 "[ . 1 . 2]" 1
125 1 9 CYS HB2 1 10 THR H 2.910 . 4.030 3.432 2.768 4.154 0.124 17 0 "[ . 1 . 2]" 1
126 1 9 CYS HB3 1 10 THR H 2.970 . 4.140 2.860 2.466 3.524 . 0 0 "[ . 1 . 2]" 1
127 1 10 THR H 1 10 THR HA 2.610 . 3.430 2.830 2.820 2.851 . 0 0 "[ . 1 . 2]" 1
128 1 10 THR H 1 10 THR HB 2.690 . 3.590 2.513 2.355 3.551 . 0 0 "[ . 1 . 2]" 1
129 1 10 THR H 1 10 THR MG 2.920 . 4.040 3.535 2.364 3.744 . 0 0 "[ . 1 . 2]" 1
130 1 10 THR HA 1 10 THR HB 2.700 . 3.600 2.945 2.560 3.015 . 0 0 "[ . 1 . 2]" 1
131 1 10 THR HA 1 10 THR MG 2.600 . 3.410 2.420 2.274 3.192 . 0 0 "[ . 1 . 2]" 1
132 1 10 THR HA 1 14 LYS HB3 3.260 . 4.730 5.018 4.817 5.199 0.469 17 0 "[ . 1 . 2]" 1
133 1 10 THR HB 1 13 GLU HB3 3.370 . 4.940 5.257 4.818 5.367 0.427 2 0 "[ . 1 . 2]" 1
134 1 10 THR MG 1 11 ALA H 3.370 . 4.940 3.246 1.829 4.099 . 0 0 "[ . 1 . 2]" 1
135 1 10 THR MG 1 14 LYS QD 3.660 . 5.520 3.652 3.099 5.585 0.065 10 0 "[ . 1 . 2]" 1
136 1 10 THR MG 1 14 LYS HG3 3.770 . 5.740 5.020 4.642 6.003 0.263 10 0 "[ . 1 . 2]" 1
137 1 10 THR MG 1 14 LYS QZ 3.230 . 4.670 4.423 3.426 5.050 0.380 12 0 "[ . 1 . 2]" 1
138 1 11 ALA H 1 11 ALA HA 2.760 . 3.730 2.823 2.808 2.840 . 0 0 "[ . 1 . 2]" 1
139 1 11 ALA H 1 11 ALA MB 2.390 . 2.980 2.221 2.195 2.246 . 0 0 "[ . 1 . 2]" 1
140 1 11 ALA HA 1 11 ALA MB 2.330 . 2.860 2.142 2.137 2.147 . 0 0 "[ . 1 . 2]" 1
141 1 11 ALA HA 1 14 LYS H 3.840 . 5.880 3.666 3.586 3.828 . 0 0 "[ . 1 . 2]" 1
142 1 11 ALA HA 1 14 LYS HB2 2.880 . 3.960 3.846 3.681 4.018 0.058 2 0 "[ . 1 . 2]" 1
143 1 11 ALA HA 1 14 LYS HB3 3.010 . 4.220 2.728 2.589 2.893 . 0 0 "[ . 1 . 2]" 1
144 1 11 ALA HA 1 15 ALA H 3.900 . 6.000 3.843 3.695 4.011 . 0 0 "[ . 1 . 2]" 1
145 1 11 ALA MB 1 14 LYS HB3 3.400 . 5.000 4.292 4.157 4.421 . 0 0 "[ . 1 . 2]" 1
146 1 11 ALA MB 2 8 LEU MD1 3.320 . 4.840 2.737 1.959 4.587 . 0 0 "[ . 1 . 2]" 1
147 1 11 ALA MB 2 8 LEU MD2 3.320 . 4.840 2.653 2.013 3.769 . 0 0 "[ . 1 . 2]" 1
148 1 12 ALA H 1 12 ALA HA 2.880 . 3.960 2.844 2.833 2.862 . 0 0 "[ . 1 . 2]" 1
149 1 12 ALA H 1 12 ALA MB 2.540 . 3.280 2.177 2.044 2.238 . 0 0 "[ . 1 . 2]" 1
150 1 12 ALA HA 1 12 ALA MB 2.490 . 3.190 2.134 2.125 2.145 . 0 0 "[ . 1 . 2]" 1
151 1 12 ALA HA 1 15 ALA MB 2.570 . 3.350 2.604 2.379 2.810 . 0 0 "[ . 1 . 2]" 1
152 1 12 ALA MB 1 15 ALA H 3.860 . 5.920 4.634 4.536 4.716 . 0 0 "[ . 1 . 2]" 1
153 1 12 ALA MB 2 8 LEU MD1 3.320 . 4.840 3.405 2.203 4.632 . 0 0 "[ . 1 . 2]" 1
154 1 12 ALA MB 2 8 LEU MD2 3.320 . 4.840 3.798 2.738 4.501 . 0 0 "[ . 1 . 2]" 1
155 1 13 GLU H 1 13 GLU HA 2.710 . 3.630 2.829 2.815 2.844 . 0 0 "[ . 1 . 2]" 1
156 1 13 GLU H 1 13 GLU HB2 3.520 . 5.250 2.532 2.452 2.589 . 0 0 "[ . 1 . 2]" 1
157 1 13 GLU H 1 13 GLU HB3 2.890 . 3.980 2.509 2.466 2.570 . 0 0 "[ . 1 . 2]" 1
158 1 13 GLU H 1 13 GLU HG2 3.520 . 5.240 4.456 4.366 4.643 . 0 0 "[ . 1 . 2]" 1
159 1 13 GLU H 1 14 LYS H 2.820 . 3.850 2.646 2.600 2.681 . 0 0 "[ . 1 . 2]" 1
160 1 13 GLU HA 1 13 GLU HB2 2.780 . 3.760 2.462 2.436 2.494 . 0 0 "[ . 1 . 2]" 1
161 1 13 GLU HA 1 13 GLU HB3 2.600 . 3.410 3.040 3.032 3.046 . 0 0 "[ . 1 . 2]" 1
162 1 13 GLU HA 1 13 GLU HG2 2.810 . 3.820 3.076 2.331 3.740 . 0 0 "[ . 1 . 2]" 1
163 1 13 GLU HA 1 13 GLU HG3 2.870 . 3.950 2.705 2.444 3.608 . 0 0 "[ . 1 . 2]" 1
164 1 13 GLU HA 1 14 LYS H 3.580 . 5.370 3.535 3.521 3.548 . 0 0 "[ . 1 . 2]" 1
165 1 13 GLU HA 1 16 ASP HB2 3.570 . 5.340 3.392 2.878 3.652 . 0 0 "[ . 1 . 2]" 1
166 1 13 GLU HB2 1 13 GLU HG3 2.850 . 3.900 2.553 2.346 3.045 . 0 0 "[ . 1 . 2]" 1
167 1 13 GLU HB2 1 14 LYS H 3.900 . 6.000 3.821 3.781 3.858 . 0 0 "[ . 1 . 2]" 1
168 1 13 GLU HB3 1 14 LYS H 3.700 . 5.610 2.503 2.467 2.569 . 0 0 "[ . 1 . 2]" 1
169 1 14 LYS H 1 14 LYS HB2 2.950 . 4.100 2.547 2.474 2.599 . 0 0 "[ . 1 . 2]" 1
170 1 14 LYS H 1 14 LYS HB3 3.220 . 4.650 2.493 2.422 2.578 . 0 0 "[ . 1 . 2]" 1
171 1 14 LYS H 1 14 LYS HG2 3.570 . 5.350 4.433 4.374 4.621 . 0 0 "[ . 1 . 2]" 1
172 1 14 LYS H 1 14 LYS HG3 3.520 . 5.240 4.434 4.397 4.449 . 0 0 "[ . 1 . 2]" 1
173 1 14 LYS H 1 15 ALA H 2.990 . 4.190 2.634 2.581 2.663 . 0 0 "[ . 1 . 2]" 1
174 1 14 LYS HA 1 14 LYS HB2 2.800 . 3.810 2.451 2.423 2.488 . 0 0 "[ . 1 . 2]" 1
175 1 14 LYS HA 1 15 ALA H 3.190 . 4.590 3.540 3.511 3.555 . 0 0 "[ . 1 . 2]" 1
176 1 14 LYS HA 1 17 GLU HB3 2.970 . 4.140 3.778 3.016 4.375 0.235 2 0 "[ . 1 . 2]" 1
177 1 14 LYS HA 1 18 LEU H 3.540 . 5.280 4.352 4.209 4.574 . 0 0 "[ . 1 . 2]" 1
178 1 14 LYS HB2 1 14 LYS QD 2.730 . 3.670 2.454 2.273 2.848 . 0 0 "[ . 1 . 2]" 1
179 1 14 LYS HB2 1 14 LYS HG2 2.880 . 3.960 3.015 2.549 3.050 . 0 0 "[ . 1 . 2]" 1
180 1 14 LYS HB2 1 14 LYS HG3 2.870 . 3.940 2.511 2.423 3.034 . 0 0 "[ . 1 . 2]" 1
181 1 14 LYS HB2 1 15 ALA H 3.480 . 5.170 3.901 3.834 3.964 . 0 0 "[ . 1 . 2]" 1
182 1 14 LYS HB3 1 14 LYS HG2 2.900 . 4.010 2.468 2.404 2.518 . 0 0 "[ . 1 . 2]" 1
183 1 14 LYS HB3 1 14 LYS HG3 2.770 . 3.750 3.016 2.567 3.047 . 0 0 "[ . 1 . 2]" 1
184 1 14 LYS HB3 1 15 ALA H 3.490 . 5.190 2.625 2.553 2.701 . 0 0 "[ . 1 . 2]" 1
185 1 14 LYS QD 1 14 LYS HG2 2.640 . 3.480 2.340 2.182 2.419 . 0 0 "[ . 1 . 2]" 1
186 1 14 LYS QD 1 14 LYS HG3 2.410 . 3.020 2.347 2.190 2.471 . 0 0 "[ . 1 . 2]" 1
187 1 14 LYS HG2 1 14 LYS QZ 3.260 . 4.720 3.520 2.095 4.063 . 0 0 "[ . 1 . 2]" 1
188 1 14 LYS HG3 1 14 LYS QZ 3.170 . 4.540 3.406 1.910 4.071 . 0 0 "[ . 1 . 2]" 1
189 1 15 ALA H 1 15 ALA MB 2.650 . 3.510 2.215 2.186 2.238 . 0 0 "[ . 1 . 2]" 1
190 1 15 ALA H 1 16 ASP H 2.730 . 3.660 2.673 2.629 2.695 . 0 0 "[ . 1 . 2]" 1
191 1 15 ALA HA 1 15 ALA MB 2.340 . 2.890 2.142 2.135 2.147 . 0 0 "[ . 1 . 2]" 1
192 1 15 ALA HA 1 16 ASP H 2.590 . 3.380 3.522 3.510 3.530 0.150 8 0 "[ . 1 . 2]" 1
193 1 15 ALA HA 1 18 LEU MD2 3.160 . 4.530 4.684 4.651 4.717 0.187 5 0 "[ . 1 . 2]" 1
194 1 15 ALA HA 1 18 LEU HG 3.630 . 5.460 3.435 3.362 3.545 . 0 0 "[ . 1 . 2]" 1
195 1 16 ASP H 1 16 ASP HA 2.750 . 3.700 2.821 2.808 2.830 . 0 0 "[ . 1 . 2]" 1
196 1 16 ASP H 1 16 ASP HB2 2.960 . 4.130 2.485 2.360 2.541 . 0 0 "[ . 1 . 2]" 1
197 1 16 ASP H 1 16 ASP HB3 2.930 . 4.060 2.815 2.541 3.588 . 0 0 "[ . 1 . 2]" 1
198 1 16 ASP HA 1 18 LEU H 3.900 . 6.000 4.387 4.297 4.478 . 0 0 "[ . 1 . 2]" 1
199 1 17 GLU H 1 17 GLU HB2 3.110 . 4.430 2.441 2.378 2.536 . 0 0 "[ . 1 . 2]" 1
200 1 17 GLU H 1 17 GLU HB3 2.690 . 3.580 3.109 2.509 3.579 . 0 0 "[ . 1 . 2]" 1
201 1 17 GLU H 1 17 GLU HG2 2.990 . 4.190 3.809 2.242 4.592 0.402 16 0 "[ . 1 . 2]" 1
202 1 17 GLU H 1 17 GLU HG3 3.260 . 4.730 3.378 2.257 4.595 . 0 0 "[ . 1 . 2]" 1
203 1 17 GLU HA 1 17 GLU HB3 2.870 . 3.940 2.756 2.524 3.032 . 0 0 "[ . 1 . 2]" 1
204 1 17 GLU HA 1 17 GLU HG2 3.320 . 4.850 2.747 2.288 3.695 . 0 0 "[ . 1 . 2]" 1
205 1 17 GLU HA 1 17 GLU HG3 3.660 . 5.530 2.850 2.446 3.682 . 0 0 "[ . 1 . 2]" 1
206 1 17 GLU HA 1 18 LEU H 3.180 . 4.570 3.541 3.534 3.547 . 0 0 "[ . 1 . 2]" 1
207 1 17 GLU HB2 1 17 GLU HG3 2.870 . 3.940 2.499 2.372 3.035 . 0 0 "[ . 1 . 2]" 1
208 1 17 GLU HB3 1 17 GLU HG3 2.460 . 3.130 2.932 2.523 3.033 . 0 0 "[ . 1 . 2]" 1
209 1 17 GLU HB3 1 18 LEU H 3.410 . 5.020 3.143 2.574 3.622 . 0 0 "[ . 1 . 2]" 1
210 1 17 GLU HB3 1 18 LEU MD1 3.900 . 6.000 5.274 4.667 5.789 . 0 0 "[ . 1 . 2]" 1
211 1 17 GLU HB3 1 18 LEU MD2 3.530 . 5.270 4.230 3.962 4.460 . 0 0 "[ . 1 . 2]" 1
212 1 18 LEU H 1 18 LEU QB 2.890 . 3.980 2.368 2.351 2.386 . 0 0 "[ . 1 . 2]" 1
213 1 18 LEU H 1 18 LEU MD1 3.560 . 5.320 3.489 3.451 3.512 . 0 0 "[ . 1 . 2]" 1
214 1 18 LEU H 1 18 LEU MD2 3.460 . 5.120 3.502 3.451 3.541 . 0 0 "[ . 1 . 2]" 1
215 1 18 LEU H 1 18 LEU HG 2.290 . 2.780 2.259 2.226 2.295 . 0 0 "[ . 1 . 2]" 1
216 1 18 LEU HA 1 18 LEU MD1 2.610 . 3.420 3.778 3.771 3.786 0.366 20 0 "[ . 1 . 2]" 1
217 1 18 LEU HA 1 18 LEU MD2 3.070 . 4.340 2.123 2.108 2.134 . 0 0 "[ . 1 . 2]" 1
218 1 18 LEU HA 1 18 LEU HG 2.720 . 3.640 2.843 2.801 2.873 . 0 0 "[ . 1 . 2]" 1
219 1 18 LEU HA 1 19 GLY H 2.860 . 3.930 3.535 3.524 3.545 . 0 0 "[ . 1 . 2]" 1
220 1 18 LEU QB 1 18 LEU MD1 2.870 . 3.950 2.088 2.074 2.109 . 0 0 "[ . 1 . 2]" 1
221 1 18 LEU QB 1 18 LEU MD2 2.540 . 3.280 2.215 2.196 2.232 . 0 0 "[ . 1 . 2]" 1
222 1 18 LEU QB 1 19 GLY H 3.620 . 5.450 2.572 2.546 2.592 . 0 0 "[ . 1 . 2]" 1
223 1 18 LEU MD1 1 18 LEU MD2 2.250 . 2.710 2.054 2.005 2.083 . 0 0 "[ . 1 . 2]" 1
224 1 18 LEU MD1 1 18 LEU HG 2.490 . 3.180 2.138 2.131 2.143 . 0 0 "[ . 1 . 2]" 1
225 1 18 LEU MD1 1 19 GLY H 3.590 . 5.390 4.506 4.479 4.545 . 0 0 "[ . 1 . 2]" 1
226 1 18 LEU MD2 1 18 LEU HG 2.370 . 2.940 2.140 2.136 2.144 . 0 0 "[ . 1 . 2]" 1
227 1 18 LEU MD2 1 19 GLY H 3.320 . 4.840 4.694 4.675 4.713 . 0 0 "[ . 1 . 2]" 1
228 1 18 LEU HG 1 19 GLY H 3.300 . 4.800 4.374 4.339 4.410 . 0 0 "[ . 1 . 2]" 1
229 1 19 GLY H 1 19 GLY HA2 2.650 . 3.500 2.485 2.419 2.543 . 0 0 "[ . 1 . 2]" 1
230 1 19 GLY H 1 19 GLY HA3 2.710 . 3.630 2.974 2.964 2.982 . 0 0 "[ . 1 . 2]" 1
231 2 1 SER HA 2 1 SER QB 2.400 . 3.000 2.251 2.156 2.366 . 0 0 "[ . 1 . 2]" 1
232 2 1 SER HA 2 3 GLU H 4.000 . 6.200 3.545 3.403 3.637 . 0 0 "[ . 1 . 2]" 1
233 2 1 SER HA 2 4 GLU H 3.900 . 6.000 3.882 3.702 4.067 . 0 0 "[ . 1 . 2]" 1
234 2 1 SER QB 2 3 GLU H 3.900 . 6.000 4.066 3.861 4.617 . 0 0 "[ . 1 . 2]" 1
235 2 1 SER QB 2 4 GLU H 3.570 . 5.350 2.791 2.574 3.550 . 0 0 "[ . 1 . 2]" 1
236 2 1 SER HG 2 3 GLU H 3.900 . 6.000 5.421 2.995 5.990 . 0 0 "[ . 1 . 2]" 1
237 2 1 SER HG 2 4 GLU H 3.900 . 6.000 4.364 1.837 5.345 . 0 0 "[ . 1 . 2]" 1
238 2 2 PRO HA 2 2 PRO HB3 2.580 . 3.370 2.316 2.298 2.331 . 0 0 "[ . 1 . 2]" 1
239 2 2 PRO HA 2 2 PRO QD 2.720 . 3.650 3.324 3.248 3.390 . 0 0 "[ . 1 . 2]" 1
240 2 2 PRO HA 2 2 PRO HG2 2.970 . 4.140 3.900 3.868 3.937 . 0 0 "[ . 1 . 2]" 1
241 2 2 PRO HA 2 3 GLU H 3.550 . 5.300 3.543 3.507 3.565 . 0 0 "[ . 1 . 2]" 1
242 2 2 PRO HA 2 5 ARG H 3.900 . 6.000 3.443 3.273 3.647 . 0 0 "[ . 1 . 2]" 1
243 2 2 PRO HA 2 5 ARG HB2 3.300 . 4.810 3.556 3.280 3.824 . 0 0 "[ . 1 . 2]" 1
244 2 2 PRO HA 2 5 ARG HB3 3.490 . 5.190 2.475 2.315 2.895 . 0 0 "[ . 1 . 2]" 1
245 2 2 PRO HA 2 6 ALA H 3.240 . 4.680 4.159 3.929 4.532 . 0 0 "[ . 1 . 2]" 1
246 2 2 PRO HB2 2 2 PRO QD 2.790 . 3.780 3.171 2.788 3.554 . 0 0 "[ . 1 . 2]" 1
247 2 2 PRO HB2 2 2 PRO HG3 2.580 . 3.360 2.854 2.667 3.005 . 0 0 "[ . 1 . 2]" 1
248 2 2 PRO HB3 2 2 PRO QD 2.990 . 4.190 3.241 2.852 3.557 . 0 0 "[ . 1 . 2]" 1
249 2 2 PRO HB3 2 2 PRO HG2 2.750 . 3.710 2.799 2.622 2.989 . 0 0 "[ . 1 . 2]" 1
250 2 2 PRO QD 2 2 PRO HG2 2.530 . 3.260 2.232 2.208 2.262 . 0 0 "[ . 1 . 2]" 1
251 2 2 PRO QD 2 2 PRO HG3 2.530 . 3.260 2.230 2.191 2.265 . 0 0 "[ . 1 . 2]" 1
252 2 2 PRO QD 2 3 GLU H 3.210 . 4.620 2.821 2.683 2.952 . 0 0 "[ . 1 . 2]" 1
253 2 3 GLU H 2 3 GLU HA 2.950 . 4.100 2.841 2.828 2.861 . 0 0 "[ . 1 . 2]" 1
254 2 3 GLU H 2 3 GLU HB2 2.710 . 3.630 2.395 2.352 2.538 . 0 0 "[ . 1 . 2]" 1
255 2 3 GLU H 2 3 GLU HB3 2.740 . 3.680 3.370 2.545 3.577 . 0 0 "[ . 1 . 2]" 1
256 2 3 GLU H 2 3 GLU HG2 3.260 . 4.730 3.798 3.557 4.670 . 0 0 "[ . 1 . 2]" 1
257 2 3 GLU H 2 3 GLU HG3 3.900 . 6.000 2.681 2.192 4.439 . 0 0 "[ . 1 . 2]" 1
258 2 3 GLU H 2 4 GLU H 3.030 . 4.270 2.632 2.577 2.715 . 0 0 "[ . 1 . 2]" 1
259 2 3 GLU HA 2 3 GLU HB2 2.700 . 3.600 2.922 2.470 3.032 . 0 0 "[ . 1 . 2]" 1
260 2 3 GLU HA 2 3 GLU HB3 2.640 . 3.480 2.624 2.519 3.026 . 0 0 "[ . 1 . 2]" 1
261 2 3 GLU HA 2 3 GLU HG2 2.730 . 3.660 2.681 2.476 3.681 0.021 14 0 "[ . 1 . 2]" 1
262 2 3 GLU HA 2 3 GLU HG3 2.980 . 4.160 2.717 2.347 2.806 . 0 0 "[ . 1 . 2]" 1
263 2 3 GLU HA 2 4 GLU H 2.920 . 4.040 3.550 3.539 3.562 . 0 0 "[ . 1 . 2]" 1
264 2 3 GLU HA 2 6 ALA H 3.030 . 4.260 3.434 3.268 3.584 . 0 0 "[ . 1 . 2]" 1
265 2 3 GLU HA 2 7 GLN H 2.920 . 4.040 4.267 4.143 4.404 0.364 14 0 "[ . 1 . 2]" 1
266 2 3 GLU HB2 2 3 GLU HG3 2.760 . 3.730 2.584 2.500 3.023 . 0 0 "[ . 1 . 2]" 1
267 2 3 GLU HB2 2 4 GLU H 3.160 . 4.530 2.857 2.544 3.917 . 0 0 "[ . 1 . 2]" 1
268 2 3 GLU HB3 2 3 GLU HG3 2.570 . 3.350 2.979 2.583 3.025 . 0 0 "[ . 1 . 2]" 1
269 2 3 GLU HB3 2 4 GLU H 3.000 . 4.200 3.372 2.564 3.586 . 0 0 "[ . 1 . 2]" 1
270 2 3 GLU HG3 2 5 ARG HD2 4.600 . 7.400 7.652 7.519 7.809 0.409 13 0 "[ . 1 . 2]" 1
271 2 3 GLU HG3 2 5 ARG HD3 4.600 . 7.400 7.599 7.460 7.735 0.335 16 0 "[ . 1 . 2]" 1
272 2 4 GLU H 2 4 GLU HA 2.760 . 3.730 2.842 2.813 2.861 . 0 0 "[ . 1 . 2]" 1
273 2 4 GLU H 2 4 GLU QB 2.650 . 3.510 2.298 2.240 2.382 . 0 0 "[ . 1 . 2]" 1
274 2 4 GLU H 2 4 GLU QG 2.850 . 3.900 3.240 2.276 4.033 0.133 9 0 "[ . 1 . 2]" 1
275 2 4 GLU H 2 5 ARG H 3.030 . 4.260 2.576 2.502 2.640 . 0 0 "[ . 1 . 2]" 1
276 2 4 GLU HA 2 4 GLU QB 2.600 . 3.410 2.385 2.350 2.416 . 0 0 "[ . 1 . 2]" 1
277 2 4 GLU HA 2 4 GLU QG 2.760 . 3.720 2.470 2.286 2.858 . 0 0 "[ . 1 . 2]" 1
278 2 4 GLU QB 2 4 GLU QG 2.300 . 2.810 2.081 2.025 2.108 . 0 0 "[ . 1 . 2]" 1
279 2 4 GLU QB 2 5 ARG H 3.210 . 4.630 2.586 2.521 2.654 . 0 0 "[ . 1 . 2]" 1
280 2 4 GLU QB 2 5 ARG HB2 3.360 . 4.930 4.361 4.299 4.411 . 0 0 "[ . 1 . 2]" 1
281 2 4 GLU QG 2 8 LEU MD2 3.160 . 4.520 4.038 2.508 5.072 0.552 20 1 "[ . 1 . +]" 1
282 2 5 ARG H 2 5 ARG HB2 3.000 . 4.210 2.718 2.680 2.769 . 0 0 "[ . 1 . 2]" 1
283 2 5 ARG H 2 5 ARG HB3 3.270 . 4.750 2.283 2.248 2.334 . 0 0 "[ . 1 . 2]" 1
284 2 5 ARG H 2 5 ARG HG2 3.900 . 6.000 4.418 4.408 4.438 . 0 0 "[ . 1 . 2]" 1
285 2 5 ARG H 2 5 ARG HG3 3.160 . 4.520 4.649 4.623 4.675 0.155 4 0 "[ . 1 . 2]" 1
286 2 5 ARG H 2 6 ALA H 2.990 . 4.180 2.735 2.662 2.813 . 0 0 "[ . 1 . 2]" 1
287 2 5 ARG H 2 6 ALA HA 3.640 . 5.490 5.319 5.243 5.378 . 0 0 "[ . 1 . 2]" 1
288 2 5 ARG HA 2 5 ARG HB2 2.900 . 4.000 2.352 2.331 2.372 . 0 0 "[ . 1 . 2]" 1
289 2 5 ARG HA 2 5 ARG HB3 2.870 . 3.950 3.013 3.002 3.022 . 0 0 "[ . 1 . 2]" 1
290 2 5 ARG HA 2 5 ARG HG2 2.780 . 3.770 2.623 2.563 2.665 . 0 0 "[ . 1 . 2]" 1
291 2 5 ARG HA 2 5 ARG HG3 3.020 . 4.250 3.560 3.499 3.605 . 0 0 "[ . 1 . 2]" 1
292 2 5 ARG HA 2 8 LEU MD1 3.610 . 5.430 3.220 2.527 5.145 . 0 0 "[ . 1 . 2]" 1
293 2 5 ARG HA 2 9 CYS H 3.900 . 6.000 3.748 3.455 4.112 . 0 0 "[ . 1 . 2]" 1
294 2 5 ARG HB2 2 5 ARG HD2 3.180 . 4.570 3.451 3.403 3.483 . 0 0 "[ . 1 . 2]" 1
295 2 5 ARG HB2 2 5 ARG HD3 3.130 . 4.470 3.783 3.731 3.902 . 0 0 "[ . 1 . 2]" 1
296 2 5 ARG HB2 2 6 ALA H 3.040 . 4.290 3.983 3.914 4.038 . 0 0 "[ . 1 . 2]" 1
297 2 5 ARG HB3 2 5 ARG HD2 3.120 . 4.440 2.359 2.258 2.410 . 0 0 "[ . 1 . 2]" 1
298 2 5 ARG HB3 2 5 ARG HD3 3.080 . 4.360 2.659 2.545 2.915 . 0 0 "[ . 1 . 2]" 1
299 2 5 ARG HB3 2 5 ARG HG3 2.670 . 3.540 2.745 2.712 2.783 . 0 0 "[ . 1 . 2]" 1
300 2 5 ARG HB3 2 6 ALA H 3.200 . 4.610 2.634 2.526 2.714 . 0 0 "[ . 1 . 2]" 1
301 2 5 ARG HD2 2 5 ARG HG2 2.920 . 4.050 3.045 3.037 3.051 . 0 0 "[ . 1 . 2]" 1
302 2 5 ARG HD2 2 5 ARG HG3 2.940 . 4.090 2.483 2.448 2.588 . 0 0 "[ . 1 . 2]" 1
303 2 5 ARG HD3 2 5 ARG HG2 2.880 . 3.970 2.486 2.399 2.517 . 0 0 "[ . 1 . 2]" 1
304 2 5 ARG HD3 2 5 ARG HG3 2.890 . 3.980 3.035 3.026 3.041 . 0 0 "[ . 1 . 2]" 1
305 2 5 ARG HG2 2 8 LEU H 3.300 . 4.800 4.983 4.817 5.138 0.338 20 0 "[ . 1 . 2]" 1
306 2 5 ARG HG2 2 8 LEU QB 3.290 . 4.790 4.045 3.780 4.500 . 0 0 "[ . 1 . 2]" 1
307 2 5 ARG HG2 2 9 CYS H 3.140 . 4.490 3.839 3.602 4.264 . 0 0 "[ . 1 . 2]" 1
308 2 6 ALA H 2 6 ALA HA 2.540 . 3.280 2.803 2.784 2.823 . 0 0 "[ . 1 . 2]" 1
309 2 6 ALA H 2 6 ALA MB 2.360 . 2.930 2.214 2.184 2.237 . 0 0 "[ . 1 . 2]" 1
310 2 6 ALA H 2 7 GLN H 2.480 . 3.170 2.750 2.697 2.800 . 0 0 "[ . 1 . 2]" 1
311 2 6 ALA HA 2 6 ALA MB 2.240 . 2.690 2.140 2.133 2.147 . 0 0 "[ . 1 . 2]" 1
312 2 6 ALA HA 2 9 CYS HB2 3.190 . 4.580 2.895 2.393 3.873 . 0 0 "[ . 1 . 2]" 1
313 2 6 ALA HA 2 9 CYS HB3 3.160 . 4.520 3.339 2.544 4.446 . 0 0 "[ . 1 . 2]" 1
314 2 6 ALA HA 2 10 THR H 3.490 . 5.190 4.335 4.201 4.524 . 0 0 "[ . 1 . 2]" 1
315 2 6 ALA MB 2 7 GLN H 2.780 . 3.760 2.421 2.342 2.543 . 0 0 "[ . 1 . 2]" 1
316 2 6 ALA MB 2 10 THR H 3.600 . 5.410 4.887 4.783 5.092 . 0 0 "[ . 1 . 2]" 1
317 2 7 GLN H 2 7 GLN HA 2.920 . 4.050 2.857 2.829 2.873 . 0 0 "[ . 1 . 2]" 1
318 2 7 GLN H 2 7 GLN QB 2.660 . 3.530 2.329 2.222 2.416 . 0 0 "[ . 1 . 2]" 1
319 2 7 GLN H 2 7 GLN HG2 3.500 . 5.200 3.479 2.228 4.658 . 0 0 "[ . 1 . 2]" 1
320 2 7 GLN H 2 7 GLN HG3 3.160 . 4.530 3.632 2.262 4.591 0.061 6 0 "[ . 1 . 2]" 1
321 2 7 GLN HA 2 7 GLN QB 2.490 . 3.180 2.398 2.372 2.443 . 0 0 "[ . 1 . 2]" 1
322 2 7 GLN HA 2 7 GLN HG2 2.800 . 3.800 2.927 2.301 3.708 . 0 0 "[ . 1 . 2]" 1
323 2 7 GLN HA 2 7 GLN HG3 3.050 . 4.310 3.135 2.407 3.707 . 0 0 "[ . 1 . 2]" 1
324 2 7 GLN HA 2 10 THR H 3.060 . 4.320 3.633 3.513 4.077 . 0 0 "[ . 1 . 2]" 1
325 2 7 GLN HA 2 10 THR MG 2.910 . 4.030 4.194 3.321 4.433 0.403 2 0 "[ . 1 . 2]" 1
326 2 7 GLN HA 2 11 ALA H 3.370 . 4.940 4.662 4.506 5.107 0.167 6 0 "[ . 1 . 2]" 1
327 2 7 GLN HE21 2 7 GLN HG2 3.280 . 4.770 2.712 2.245 3.427 . 0 0 "[ . 1 . 2]" 1
328 2 7 GLN HE21 2 7 GLN HG3 3.360 . 4.930 2.811 2.239 3.296 . 0 0 "[ . 1 . 2]" 1
329 2 7 GLN HE22 2 7 GLN HG2 3.790 . 5.790 3.708 3.510 4.026 . 0 0 "[ . 1 . 2]" 1
330 2 7 GLN HE22 2 7 GLN HG3 3.900 . 6.000 3.748 3.507 3.960 . 0 0 "[ . 1 . 2]" 1
331 2 8 LEU H 2 8 LEU HA 2.880 . 3.960 2.849 2.831 2.915 . 0 0 "[ . 1 . 2]" 1
332 2 8 LEU H 2 8 LEU QB 3.020 . 4.250 2.283 2.125 2.374 . 0 0 "[ . 1 . 2]" 1
333 2 8 LEU H 2 8 LEU MD1 3.390 . 4.990 3.297 2.221 4.106 . 0 0 "[ . 1 . 2]" 1
334 2 8 LEU H 2 8 LEU MD2 3.110 . 4.420 3.533 2.089 4.110 . 0 0 "[ . 1 . 2]" 1
335 2 8 LEU H 2 8 LEU HG 3.060 . 4.330 2.869 2.318 4.192 . 0 0 "[ . 1 . 2]" 1
336 2 8 LEU H 2 9 CYS H 2.700 . 3.600 2.551 2.334 2.619 . 0 0 "[ . 1 . 2]" 1
337 2 8 LEU HA 2 8 LEU QB 2.580 . 3.360 2.430 2.384 2.519 . 0 0 "[ . 1 . 2]" 1
338 2 8 LEU HA 2 8 LEU MD1 2.580 . 3.370 3.333 2.189 3.786 0.416 10 0 "[ . 1 . 2]" 1
339 2 8 LEU HA 2 8 LEU MD2 2.580 . 3.370 2.461 2.127 3.726 0.356 19 0 "[ . 1 . 2]" 1
340 2 8 LEU HA 2 8 LEU HG 3.290 . 4.790 2.784 2.231 3.627 . 0 0 "[ . 1 . 2]" 1
341 2 8 LEU HA 2 9 CYS H 2.880 . 3.960 3.508 3.423 3.531 . 0 0 "[ . 1 . 2]" 1
342 2 8 LEU HA 2 11 ALA MB 2.570 . 3.350 2.772 2.529 3.066 . 0 0 "[ . 1 . 2]" 1
343 2 8 LEU QB 2 8 LEU MD2 2.980 . 4.170 2.192 2.077 2.377 . 0 0 "[ . 1 . 2]" 1
344 2 8 LEU QB 2 9 CYS H 3.320 . 4.850 2.718 2.572 3.137 . 0 0 "[ . 1 . 2]" 1
345 2 8 LEU MD2 2 9 CYS H 3.620 . 5.440 4.716 4.087 5.104 . 0 0 "[ . 1 . 2]" 1
346 2 9 CYS H 2 9 CYS HB2 2.830 . 3.860 2.293 2.061 2.888 . 0 0 "[ . 1 . 2]" 1
347 2 9 CYS H 2 9 CYS HB3 2.860 . 3.930 3.000 2.213 3.580 . 0 0 "[ . 1 . 2]" 1
348 2 9 CYS H 2 10 THR H 2.510 . 3.220 2.688 2.642 2.774 . 0 0 "[ . 1 . 2]" 1
349 2 9 CYS HA 2 12 ALA MB 3.240 . 4.680 2.768 2.524 3.062 . 0 0 "[ . 1 . 2]" 1
350 2 9 CYS HA 2 13 GLU H 3.320 . 4.850 3.809 3.292 4.125 . 0 0 "[ . 1 . 2]" 1
351 2 9 CYS HB2 2 10 THR H 2.910 . 4.030 3.422 2.693 4.131 0.101 17 0 "[ . 1 . 2]" 1
352 2 9 CYS HB3 2 10 THR H 2.970 . 4.140 2.849 2.405 3.527 . 0 0 "[ . 1 . 2]" 1
353 2 10 THR H 2 10 THR HA 2.610 . 3.430 2.825 2.811 2.839 . 0 0 "[ . 1 . 2]" 1
354 2 10 THR H 2 10 THR HB 2.690 . 3.590 2.514 2.325 3.544 . 0 0 "[ . 1 . 2]" 1
355 2 10 THR H 2 10 THR MG 2.920 . 4.040 3.533 2.339 3.741 . 0 0 "[ . 1 . 2]" 1
356 2 10 THR HA 2 10 THR HB 2.700 . 3.600 2.946 2.560 3.015 . 0 0 "[ . 1 . 2]" 1
357 2 10 THR HA 2 10 THR MG 2.600 . 3.410 2.420 2.267 3.194 . 0 0 "[ . 1 . 2]" 1
358 2 10 THR HA 2 14 LYS HB3 3.260 . 4.730 5.013 4.824 5.195 0.465 17 0 "[ . 1 . 2]" 1
359 2 10 THR HB 2 13 GLU HB3 3.370 . 4.940 5.249 4.827 5.384 0.444 2 0 "[ . 1 . 2]" 1
360 2 10 THR MG 2 11 ALA H 3.370 . 4.940 3.256 1.823 4.101 . 0 0 "[ . 1 . 2]" 1
361 2 10 THR MG 2 14 LYS QD 3.660 . 5.520 3.646 3.098 5.572 0.052 10 0 "[ . 1 . 2]" 1
362 2 10 THR MG 2 14 LYS HG3 3.770 . 5.740 5.012 4.638 5.996 0.256 10 0 "[ . 1 . 2]" 1
363 2 10 THR MG 2 14 LYS QZ 3.230 . 4.670 4.418 3.433 5.049 0.379 12 0 "[ . 1 . 2]" 1
364 2 11 ALA H 2 11 ALA HA 2.760 . 3.730 2.821 2.811 2.834 . 0 0 "[ . 1 . 2]" 1
365 2 11 ALA H 2 11 ALA MB 2.390 . 2.980 2.217 2.194 2.241 . 0 0 "[ . 1 . 2]" 1
366 2 11 ALA HA 2 11 ALA MB 2.330 . 2.860 2.142 2.137 2.147 . 0 0 "[ . 1 . 2]" 1
367 2 11 ALA HA 2 14 LYS H 3.840 . 5.880 3.652 3.574 3.813 . 0 0 "[ . 1 . 2]" 1
368 2 11 ALA HA 2 14 LYS HB2 2.880 . 3.960 3.832 3.672 4.007 0.047 2 0 "[ . 1 . 2]" 1
369 2 11 ALA HA 2 14 LYS HB3 3.010 . 4.220 2.710 2.582 2.888 . 0 0 "[ . 1 . 2]" 1
370 2 11 ALA HA 2 15 ALA H 3.900 . 6.000 3.831 3.694 3.988 . 0 0 "[ . 1 . 2]" 1
371 2 11 ALA MB 2 14 LYS HB3 3.400 . 5.000 4.279 4.150 4.416 . 0 0 "[ . 1 . 2]" 1
372 2 12 ALA H 2 12 ALA HA 2.880 . 3.960 2.843 2.832 2.856 . 0 0 "[ . 1 . 2]" 1
373 2 12 ALA H 2 12 ALA MB 2.540 . 3.280 2.179 2.048 2.238 . 0 0 "[ . 1 . 2]" 1
374 2 12 ALA HA 2 12 ALA MB 2.490 . 3.190 2.134 2.125 2.147 . 0 0 "[ . 1 . 2]" 1
375 2 12 ALA HA 2 15 ALA MB 2.570 . 3.350 2.599 2.385 2.823 . 0 0 "[ . 1 . 2]" 1
376 2 12 ALA MB 2 15 ALA H 3.860 . 5.920 4.634 4.547 4.716 . 0 0 "[ . 1 . 2]" 1
377 2 13 GLU H 2 13 GLU HA 2.710 . 3.630 2.832 2.822 2.843 . 0 0 "[ . 1 . 2]" 1
378 2 13 GLU H 2 13 GLU HB2 3.520 . 5.250 2.536 2.454 2.580 . 0 0 "[ . 1 . 2]" 1
379 2 13 GLU H 2 13 GLU HB3 2.890 . 3.980 2.511 2.476 2.565 . 0 0 "[ . 1 . 2]" 1
380 2 13 GLU H 2 13 GLU HG2 3.520 . 5.240 4.456 4.369 4.641 . 0 0 "[ . 1 . 2]" 1
381 2 13 GLU H 2 14 LYS H 2.820 . 3.850 2.641 2.597 2.669 . 0 0 "[ . 1 . 2]" 1
382 2 13 GLU HA 2 13 GLU HB2 2.780 . 3.760 2.462 2.439 2.492 . 0 0 "[ . 1 . 2]" 1
383 2 13 GLU HA 2 13 GLU HB3 2.600 . 3.410 3.040 3.030 3.045 . 0 0 "[ . 1 . 2]" 1
384 2 13 GLU HA 2 13 GLU HG2 2.810 . 3.820 3.075 2.325 3.743 . 0 0 "[ . 1 . 2]" 1
385 2 13 GLU HA 2 13 GLU HG3 2.870 . 3.950 2.703 2.447 3.609 . 0 0 "[ . 1 . 2]" 1
386 2 13 GLU HA 2 14 LYS H 3.580 . 5.370 3.534 3.521 3.546 . 0 0 "[ . 1 . 2]" 1
387 2 13 GLU HA 2 16 ASP HB2 3.570 . 5.340 3.385 2.851 3.659 . 0 0 "[ . 1 . 2]" 1
388 2 13 GLU HB2 2 13 GLU HG3 2.850 . 3.900 2.553 2.352 3.045 . 0 0 "[ . 1 . 2]" 1
389 2 13 GLU HB2 2 14 LYS H 3.900 . 6.000 3.822 3.760 3.860 . 0 0 "[ . 1 . 2]" 1
390 2 13 GLU HB3 2 14 LYS H 3.700 . 5.610 2.506 2.469 2.585 . 0 0 "[ . 1 . 2]" 1
391 2 14 LYS H 2 14 LYS HB2 2.950 . 4.100 2.546 2.479 2.599 . 0 0 "[ . 1 . 2]" 1
392 2 14 LYS H 2 14 LYS HB3 3.220 . 4.650 2.492 2.417 2.574 . 0 0 "[ . 1 . 2]" 1
393 2 14 LYS H 2 14 LYS HG2 3.570 . 5.350 4.432 4.371 4.623 . 0 0 "[ . 1 . 2]" 1
394 2 14 LYS H 2 14 LYS HG3 3.520 . 5.240 4.434 4.403 4.451 . 0 0 "[ . 1 . 2]" 1
395 2 14 LYS H 2 15 ALA H 2.990 . 4.190 2.632 2.585 2.663 . 0 0 "[ . 1 . 2]" 1
396 2 14 LYS HA 2 14 LYS HB2 2.800 . 3.810 2.450 2.417 2.486 . 0 0 "[ . 1 . 2]" 1
397 2 14 LYS HA 2 15 ALA H 3.190 . 4.590 3.539 3.511 3.553 . 0 0 "[ . 1 . 2]" 1
398 2 14 LYS HA 2 17 GLU HB3 2.970 . 4.140 3.772 3.009 4.374 0.234 2 0 "[ . 1 . 2]" 1
399 2 14 LYS HA 2 18 LEU H 3.540 . 5.280 4.341 4.220 4.562 . 0 0 "[ . 1 . 2]" 1
400 2 14 LYS HB2 2 14 LYS QD 2.730 . 3.670 2.455 2.274 2.854 . 0 0 "[ . 1 . 2]" 1
401 2 14 LYS HB2 2 14 LYS HG2 2.880 . 3.960 3.014 2.549 3.050 . 0 0 "[ . 1 . 2]" 1
402 2 14 LYS HB2 2 14 LYS HG3 2.870 . 3.940 2.511 2.423 3.034 . 0 0 "[ . 1 . 2]" 1
403 2 14 LYS HB2 2 15 ALA H 3.480 . 5.170 3.902 3.839 3.973 . 0 0 "[ . 1 . 2]" 1
404 2 14 LYS HB3 2 14 LYS HG2 2.900 . 4.010 2.467 2.403 2.521 . 0 0 "[ . 1 . 2]" 1
405 2 14 LYS HB3 2 14 LYS HG3 2.770 . 3.750 3.016 2.566 3.047 . 0 0 "[ . 1 . 2]" 1
406 2 14 LYS HB3 2 15 ALA H 3.490 . 5.190 2.629 2.559 2.709 . 0 0 "[ . 1 . 2]" 1
407 2 14 LYS QD 2 14 LYS HG2 2.640 . 3.480 2.340 2.181 2.418 . 0 0 "[ . 1 . 2]" 1
408 2 14 LYS QD 2 14 LYS HG3 2.410 . 3.020 2.347 2.191 2.467 . 0 0 "[ . 1 . 2]" 1
409 2 14 LYS HG2 2 14 LYS QZ 3.260 . 4.720 3.521 2.091 4.063 . 0 0 "[ . 1 . 2]" 1
410 2 14 LYS HG3 2 14 LYS QZ 3.170 . 4.540 3.407 1.925 4.070 . 0 0 "[ . 1 . 2]" 1
411 2 15 ALA H 2 15 ALA MB 2.650 . 3.510 2.212 2.180 2.231 . 0 0 "[ . 1 . 2]" 1
412 2 15 ALA H 2 16 ASP H 2.730 . 3.660 2.668 2.617 2.696 . 0 0 "[ . 1 . 2]" 1
413 2 15 ALA HA 2 15 ALA MB 2.340 . 2.890 2.142 2.133 2.148 . 0 0 "[ . 1 . 2]" 1
414 2 15 ALA HA 2 16 ASP H 2.590 . 3.380 3.520 3.509 3.533 0.153 8 0 "[ . 1 . 2]" 1
415 2 15 ALA HA 2 18 LEU MD2 3.160 . 4.530 4.688 4.653 4.720 0.190 5 0 "[ . 1 . 2]" 1
416 2 15 ALA HA 2 18 LEU HG 3.630 . 5.460 3.444 3.377 3.559 . 0 0 "[ . 1 . 2]" 1
417 2 16 ASP H 2 16 ASP HA 2.750 . 3.700 2.822 2.809 2.831 . 0 0 "[ . 1 . 2]" 1
418 2 16 ASP H 2 16 ASP HB2 2.960 . 4.130 2.485 2.364 2.546 . 0 0 "[ . 1 . 2]" 1
419 2 16 ASP H 2 16 ASP HB3 2.930 . 4.060 2.815 2.540 3.591 . 0 0 "[ . 1 . 2]" 1
420 2 16 ASP HA 2 18 LEU H 3.900 . 6.000 4.394 4.307 4.489 . 0 0 "[ . 1 . 2]" 1
421 2 17 GLU H 2 17 GLU HB2 3.110 . 4.430 2.443 2.381 2.533 . 0 0 "[ . 1 . 2]" 1
422 2 17 GLU H 2 17 GLU HB3 2.690 . 3.580 3.109 2.511 3.579 . 0 0 "[ . 1 . 2]" 1
423 2 17 GLU H 2 17 GLU HG2 2.990 . 4.190 3.809 2.226 4.592 0.402 16 0 "[ . 1 . 2]" 1
424 2 17 GLU H 2 17 GLU HG3 3.260 . 4.730 3.381 2.263 4.594 . 0 0 "[ . 1 . 2]" 1
425 2 17 GLU HA 2 17 GLU HB3 2.870 . 3.940 2.755 2.519 3.032 . 0 0 "[ . 1 . 2]" 1
426 2 17 GLU HA 2 17 GLU HG2 3.320 . 4.850 2.749 2.289 3.695 . 0 0 "[ . 1 . 2]" 1
427 2 17 GLU HA 2 17 GLU HG3 3.660 . 5.530 2.852 2.447 3.686 . 0 0 "[ . 1 . 2]" 1
428 2 17 GLU HA 2 18 LEU H 3.180 . 4.570 3.541 3.532 3.547 . 0 0 "[ . 1 . 2]" 1
429 2 17 GLU HB2 2 17 GLU HG3 2.870 . 3.940 2.499 2.376 3.035 . 0 0 "[ . 1 . 2]" 1
430 2 17 GLU HB3 2 17 GLU HG3 2.460 . 3.130 2.932 2.520 3.034 . 0 0 "[ . 1 . 2]" 1
431 2 17 GLU HB3 2 18 LEU H 3.410 . 5.020 3.143 2.571 3.616 . 0 0 "[ . 1 . 2]" 1
432 2 17 GLU HB3 2 18 LEU MD1 3.900 . 6.000 5.276 4.671 5.786 . 0 0 "[ . 1 . 2]" 1
433 2 17 GLU HB3 2 18 LEU MD2 3.530 . 5.270 4.238 4.003 4.457 . 0 0 "[ . 1 . 2]" 1
434 2 18 LEU H 2 18 LEU QB 2.890 . 3.980 2.367 2.349 2.383 . 0 0 "[ . 1 . 2]" 1
435 2 18 LEU H 2 18 LEU MD1 3.560 . 5.320 3.488 3.456 3.509 . 0 0 "[ . 1 . 2]" 1
436 2 18 LEU H 2 18 LEU MD2 3.460 . 5.120 3.506 3.467 3.548 . 0 0 "[ . 1 . 2]" 1
437 2 18 LEU H 2 18 LEU HG 2.290 . 2.780 2.263 2.231 2.294 . 0 0 "[ . 1 . 2]" 1
438 2 18 LEU HA 2 18 LEU MD1 2.610 . 3.420 3.777 3.771 3.785 0.365 10 0 "[ . 1 . 2]" 1
439 2 18 LEU HA 2 18 LEU MD2 3.070 . 4.340 2.122 2.102 2.134 . 0 0 "[ . 1 . 2]" 1
440 2 18 LEU HA 2 18 LEU HG 2.720 . 3.640 2.840 2.799 2.866 . 0 0 "[ . 1 . 2]" 1
441 2 18 LEU HA 2 19 GLY H 2.860 . 3.930 3.534 3.520 3.543 . 0 0 "[ . 1 . 2]" 1
442 2 18 LEU QB 2 18 LEU MD1 2.870 . 3.950 2.088 2.074 2.108 . 0 0 "[ . 1 . 2]" 1
443 2 18 LEU QB 2 18 LEU MD2 2.540 . 3.280 2.214 2.195 2.229 . 0 0 "[ . 1 . 2]" 1
444 2 18 LEU QB 2 19 GLY H 3.620 . 5.450 2.573 2.552 2.592 . 0 0 "[ . 1 . 2]" 1
445 2 18 LEU MD1 2 18 LEU MD2 2.250 . 2.710 2.053 2.002 2.083 . 0 0 "[ . 1 . 2]" 1
446 2 18 LEU MD1 2 18 LEU HG 2.490 . 3.180 2.138 2.132 2.144 . 0 0 "[ . 1 . 2]" 1
447 2 18 LEU MD1 2 19 GLY H 3.590 . 5.390 4.508 4.481 4.548 . 0 0 "[ . 1 . 2]" 1
448 2 18 LEU MD2 2 18 LEU HG 2.370 . 2.940 2.140 2.137 2.144 . 0 0 "[ . 1 . 2]" 1
449 2 18 LEU MD2 2 19 GLY H 3.320 . 4.840 4.694 4.677 4.710 . 0 0 "[ . 1 . 2]" 1
450 2 18 LEU HG 2 19 GLY H 3.300 . 4.800 4.377 4.356 4.406 . 0 0 "[ . 1 . 2]" 1
451 2 19 GLY H 2 19 GLY HA2 2.650 . 3.500 2.484 2.411 2.539 . 0 0 "[ . 1 . 2]" 1
452 2 19 GLY H 2 19 GLY HA3 2.710 . 3.630 2.974 2.964 2.981 . 0 0 "[ . 1 . 2]" 1
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