NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
655024 |
7b7o   |
34582 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_7b7o
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 372
_Distance_constraint_stats_list.Viol_count 58
_Distance_constraint_stats_list.Viol_total 33.632
_Distance_constraint_stats_list.Viol_max 0.365
_Distance_constraint_stats_list.Viol_rms 0.0132
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0580
_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 LEU 0.000 0.000 . 0 "[ . 1]"
1 3 PHE 0.142 0.080 5 0 "[ . 1]"
1 4 GLY 0.142 0.080 5 0 "[ . 1]"
1 5 LEU 0.000 0.000 . 0 "[ . 1]"
1 6 GLY 0.000 0.000 . 0 "[ . 1]"
1 7 VAL 0.000 0.000 . 0 "[ . 1]"
1 8 PRO 0.000 0.000 . 0 "[ . 1]"
1 9 GLU 0.001 0.001 7 0 "[ . 1]"
1 10 LEU 0.006 0.005 7 0 "[ . 1]"
1 11 ALA 0.000 0.000 . 0 "[ . 1]"
1 12 VAL 0.000 0.000 . 0 "[ . 1]"
1 13 ILE 0.000 0.000 . 0 "[ . 1]"
1 14 ALA 0.000 0.000 . 0 "[ . 1]"
1 15 GLY 0.000 0.000 . 0 "[ . 1]"
1 16 VAL 0.000 0.000 . 0 "[ . 1]"
1 17 ALA 0.016 0.016 10 0 "[ . 1]"
1 18 ALA 0.019 0.008 10 0 "[ . 1]"
1 19 LEU 0.000 0.000 1 0 "[ . 1]"
1 20 LEU 0.230 0.194 10 0 "[ . 1]"
1 21 PHE 0.016 0.008 10 0 "[ . 1]"
1 22 GLY 0.876 0.273 7 0 "[ . 1]"
1 23 PRO 0.871 0.273 7 0 "[ . 1]"
1 24 LYS 0.009 0.004 5 0 "[ . 1]"
1 25 LYS 0.003 0.002 6 0 "[ . 1]"
1 26 LEU 0.855 0.365 6 0 "[ . 1]"
1 27 PRO 0.738 0.365 6 0 "[ . 1]"
1 28 GLU 0.081 0.043 9 0 "[ . 1]"
1 29 ILE 0.272 0.152 4 0 "[ . 1]"
1 30 GLY 0.267 0.152 4 0 "[ . 1]"
1 31 LYS 0.001 0.001 8 0 "[ . 1]"
1 32 SER 0.000 0.000 . 0 "[ . 1]"
1 33 ILE 0.043 0.020 10 0 "[ . 1]"
1 34 GLY 0.535 0.107 10 0 "[ . 1]"
1 35 LYS 0.054 0.020 10 0 "[ . 1]"
1 36 THR 0.021 0.021 1 0 "[ . 1]"
1 37 VAL 0.285 0.143 3 0 "[ . 1]"
1 38 LYS 0.480 0.107 10 0 "[ . 1]"
1 39 SER 0.021 0.021 1 0 "[ . 1]"
1 40 PHE 0.005 0.005 4 0 "[ . 1]"
1 41 GLN 0.000 0.000 . 0 "[ . 1]"
1 42 GLN 0.005 0.005 4 0 "[ . 1]"
1 43 ALA 0.000 0.000 . 0 "[ . 1]"
1 44 ALA 0.003 0.003 6 0 "[ . 1]"
1 45 LYS 0.000 0.000 . 0 "[ . 1]"
1 46 GLU 0.068 0.068 6 0 "[ . 1]"
1 47 PHE 0.071 0.068 6 0 "[ . 1]"
1 48 GLU 0.001 0.001 5 0 "[ . 1]"
1 49 SER 0.000 0.000 . 0 "[ . 1]"
1 50 GLU 0.012 0.011 5 0 "[ . 1]"
1 51 LEU 0.016 0.016 7 0 "[ . 1]"
1 52 LYS 0.016 0.016 7 0 "[ . 1]"
1 53 THR 0.000 0.000 . 0 "[ . 1]"
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 LEU HA 1 3 PHE H . . 3.070 2.499 2.140 2.970 . 0 0 "[ . 1]" 1
2 1 2 LEU HA 1 4 GLY H . . 4.810 3.721 3.173 4.589 . 0 0 "[ . 1]" 1
3 1 2 LEU HA 1 5 LEU H . . 5.500 4.793 3.925 5.500 . 0 0 "[ . 1]" 1
4 1 2 LEU QB 1 3 PHE H . . 4.150 3.122 1.938 3.890 . 0 0 "[ . 1]" 1
5 1 2 LEU HB2 1 4 GLY H . . 5.500 4.718 2.984 5.466 . 0 0 "[ . 1]" 1
6 1 2 LEU HB3 1 4 GLY H . . 5.500 3.887 2.354 5.223 . 0 0 "[ . 1]" 1
7 1 2 LEU QD 1 3 PHE H . . 4.310 3.493 2.310 4.303 . 0 0 "[ . 1]" 1
8 1 3 PHE H 1 3 PHE HB2 . . 4.160 2.850 2.104 3.679 . 0 0 "[ . 1]" 1
9 1 3 PHE H 1 3 PHE HB3 . . 4.160 3.425 2.742 4.023 . 0 0 "[ . 1]" 1
10 1 3 PHE H 1 3 PHE QD . . 4.560 3.633 2.495 4.454 . 0 0 "[ . 1]" 1
11 1 3 PHE H 1 4 GLY H . . 3.700 2.665 2.218 3.761 0.061 5 0 "[ . 1]" 1
12 1 3 PHE HA 1 4 GLY H . . 3.490 3.146 2.718 3.570 0.080 5 0 "[ . 1]" 1
13 1 3 PHE HA 1 5 LEU H . . 4.990 4.351 3.260 4.989 . 0 0 "[ . 1]" 1
14 1 3 PHE QB 1 4 GLY H . . 4.060 3.379 1.960 4.026 . 0 0 "[ . 1]" 1
15 1 3 PHE QB 1 5 LEU H . . 4.540 3.973 3.278 4.531 . 0 0 "[ . 1]" 1
16 1 3 PHE HB2 1 4 GLY H . . 4.610 3.932 3.082 4.611 0.001 10 0 "[ . 1]" 1
17 1 3 PHE HB3 1 4 GLY H . . 4.610 3.813 1.973 4.607 . 0 0 "[ . 1]" 1
18 1 3 PHE QD 1 4 GLY H . . 5.500 4.564 3.289 4.904 . 0 0 "[ . 1]" 1
19 1 3 PHE QD 1 5 LEU H . . 5.500 5.201 4.958 5.465 . 0 0 "[ . 1]" 1
20 1 4 GLY H 1 5 LEU H . . 3.600 2.729 1.999 3.557 . 0 0 "[ . 1]" 1
21 1 4 GLY H 1 5 LEU QD . . 5.110 4.438 2.910 5.025 . 0 0 "[ . 1]" 1
22 1 4 GLY H 1 5 LEU HG . . 5.060 4.496 3.908 4.984 . 0 0 "[ . 1]" 1
23 1 5 LEU H 1 5 LEU QB . . 3.520 2.517 2.230 3.008 . 0 0 "[ . 1]" 1
24 1 5 LEU H 1 5 LEU QD . . 3.780 3.116 2.000 3.686 . 0 0 "[ . 1]" 1
25 1 5 LEU H 1 5 LEU HG . . 3.330 2.744 1.998 3.315 . 0 0 "[ . 1]" 1
26 1 5 LEU H 1 6 GLY H . . 4.640 4.274 2.548 4.605 . 0 0 "[ . 1]" 1
27 1 5 LEU HA 1 6 GLY H . . 3.230 2.489 2.176 2.929 . 0 0 "[ . 1]" 1
28 1 5 LEU QB 1 6 GLY H . . 4.100 2.613 2.004 4.012 . 0 0 "[ . 1]" 1
29 1 5 LEU QB 1 7 VAL H . . 5.340 4.618 3.024 5.331 . 0 0 "[ . 1]" 1
30 1 5 LEU QD 1 6 GLY H . . 4.020 3.261 2.580 3.993 . 0 0 "[ . 1]" 1
31 1 6 GLY H 1 7 VAL H . . 4.450 3.350 2.001 4.440 . 0 0 "[ . 1]" 1
32 1 6 GLY QA 1 9 GLU H . . 3.980 3.205 3.009 3.813 . 0 0 "[ . 1]" 1
33 1 7 VAL H 1 7 VAL HB . . 3.660 2.641 2.222 3.641 . 0 0 "[ . 1]" 1
34 1 7 VAL H 1 7 VAL MG1 . . 4.270 3.356 1.669 3.747 . 0 0 "[ . 1]" 1
35 1 7 VAL H 1 7 VAL QG . . 3.360 2.287 1.665 2.651 . 0 0 "[ . 1]" 1
36 1 7 VAL H 1 7 VAL MG2 . . 4.270 2.498 1.984 3.284 . 0 0 "[ . 1]" 1
37 1 7 VAL H 1 8 PRO QD . . 3.590 1.938 1.680 2.117 . 0 0 "[ . 1]" 1
38 1 7 VAL H 1 9 GLU H . . 5.050 3.953 3.727 4.275 . 0 0 "[ . 1]" 1
39 1 8 PRO QB 1 9 GLU H . . 3.830 3.220 2.848 3.461 . 0 0 "[ . 1]" 1
40 1 8 PRO QB 1 10 LEU H . . 5.340 4.837 4.624 5.129 . 0 0 "[ . 1]" 1
41 1 8 PRO QG 1 10 LEU H . . 5.350 4.723 4.362 5.025 . 0 0 "[ . 1]" 1
42 1 9 GLU H 1 9 GLU HB2 . . 3.850 2.458 2.072 3.593 . 0 0 "[ . 1]" 1
43 1 9 GLU H 1 9 GLU QB . . 3.340 2.183 2.046 2.447 . 0 0 "[ . 1]" 1
44 1 9 GLU H 1 9 GLU HB3 . . 3.850 2.906 2.444 3.267 . 0 0 "[ . 1]" 1
45 1 9 GLU H 1 9 GLU HG2 . . 4.700 4.117 2.215 4.675 . 0 0 "[ . 1]" 1
46 1 9 GLU H 1 9 GLU QG . . 4.080 3.444 2.188 4.033 . 0 0 "[ . 1]" 1
47 1 9 GLU H 1 9 GLU HG3 . . 4.700 3.807 2.299 4.407 . 0 0 "[ . 1]" 1
48 1 9 GLU H 1 10 LEU H . . 3.570 2.579 2.370 2.718 . 0 0 "[ . 1]" 1
49 1 9 GLU H 1 10 LEU QB . . 4.760 4.289 4.099 4.496 . 0 0 "[ . 1]" 1
50 1 9 GLU HB2 1 10 LEU H . . 3.940 3.670 3.263 3.918 . 0 0 "[ . 1]" 1
51 1 9 GLU HB3 1 10 LEU H . . 3.940 3.213 2.732 3.941 0.001 7 0 "[ . 1]" 1
52 1 9 GLU QG 1 10 LEU H . . 4.570 3.955 2.161 4.551 . 0 0 "[ . 1]" 1
53 1 10 LEU H 1 10 LEU QB . . 2.950 2.140 2.023 2.293 . 0 0 "[ . 1]" 1
54 1 10 LEU H 1 10 LEU QD . . 4.310 3.316 2.674 3.752 . 0 0 "[ . 1]" 1
55 1 10 LEU H 1 10 LEU HG . . 4.460 4.320 3.796 4.465 0.005 7 0 "[ . 1]" 1
56 1 10 LEU H 1 11 ALA H . . 3.470 2.487 2.279 2.744 . 0 0 "[ . 1]" 1
57 1 10 LEU H 1 12 VAL QG . . 4.960 4.354 3.866 4.891 . 0 0 "[ . 1]" 1
58 1 10 LEU HA 1 13 ILE H . . 4.050 3.628 3.508 3.783 . 0 0 "[ . 1]" 1
59 1 10 LEU HA 1 13 ILE MD . . 4.400 4.159 3.726 4.399 . 0 0 "[ . 1]" 1
60 1 10 LEU QB 1 11 ALA H . . 3.820 2.881 2.713 2.964 . 0 0 "[ . 1]" 1
61 1 10 LEU QD 1 11 ALA H . . 5.290 3.893 3.173 4.295 . 0 0 "[ . 1]" 1
62 1 11 ALA H 1 11 ALA MB . . 3.150 2.166 2.067 2.273 . 0 0 "[ . 1]" 1
63 1 11 ALA H 1 12 VAL H . . 3.540 2.451 2.274 2.749 . 0 0 "[ . 1]" 1
64 1 11 ALA H 1 12 VAL HB . . 5.220 4.791 4.581 5.057 . 0 0 "[ . 1]" 1
65 1 11 ALA H 1 12 VAL QG . . 4.540 3.706 3.494 4.053 . 0 0 "[ . 1]" 1
66 1 11 ALA H 1 13 ILE H . . 5.030 4.212 3.785 4.906 . 0 0 "[ . 1]" 1
67 1 11 ALA H 1 13 ILE MG . . 5.500 4.113 3.821 4.315 . 0 0 "[ . 1]" 1
68 1 11 ALA H 1 14 ALA H . . 5.500 4.943 4.613 5.307 . 0 0 "[ . 1]" 1
69 1 11 ALA MB 1 12 VAL H . . 3.500 2.841 2.565 2.950 . 0 0 "[ . 1]" 1
70 1 12 VAL H 1 12 VAL HB . . 3.290 2.598 2.505 2.690 . 0 0 "[ . 1]" 1
71 1 12 VAL H 1 12 VAL MG1 . . 4.010 2.885 1.930 3.780 . 0 0 "[ . 1]" 1
72 1 12 VAL H 1 12 VAL QG . . 3.100 2.096 1.925 2.256 . 0 0 "[ . 1]" 1
73 1 12 VAL H 1 12 VAL MG2 . . 4.010 3.007 2.102 3.810 . 0 0 "[ . 1]" 1
74 1 12 VAL H 1 13 ILE H . . 3.560 2.528 2.254 2.869 . 0 0 "[ . 1]" 1
75 1 12 VAL H 1 14 ALA H . . 4.850 3.839 3.601 4.057 . 0 0 "[ . 1]" 1
76 1 12 VAL HB 1 13 ILE H . . 4.050 3.088 2.025 3.997 . 0 0 "[ . 1]" 1
77 1 12 VAL QG 1 16 VAL H . . 4.670 4.033 3.169 4.620 . 0 0 "[ . 1]" 1
78 1 13 ILE H 1 13 ILE HB . . 3.220 2.515 2.439 2.680 . 0 0 "[ . 1]" 1
79 1 13 ILE H 1 13 ILE MD . . 4.520 4.338 4.219 4.437 . 0 0 "[ . 1]" 1
80 1 13 ILE H 1 13 ILE QG . . 4.600 3.974 3.961 3.988 . 0 0 "[ . 1]" 1
81 1 13 ILE H 1 13 ILE MG . . 3.950 2.143 1.971 2.341 . 0 0 "[ . 1]" 1
82 1 13 ILE H 1 14 ALA H . . 3.590 2.672 2.411 2.781 . 0 0 "[ . 1]" 1
83 1 13 ILE H 1 14 ALA MB . . 4.490 4.307 3.982 4.475 . 0 0 "[ . 1]" 1
84 1 13 ILE H 1 15 GLY H . . 4.980 4.653 4.178 4.910 . 0 0 "[ . 1]" 1
85 1 13 ILE H 1 16 VAL H . . 5.210 4.951 4.785 5.130 . 0 0 "[ . 1]" 1
86 1 13 ILE H 1 16 VAL HB . . 5.500 5.295 4.621 5.495 . 0 0 "[ . 1]" 1
87 1 13 ILE H 1 16 VAL QG . . 5.190 3.953 3.695 4.170 . 0 0 "[ . 1]" 1
88 1 13 ILE HA 1 13 ILE MD . . 4.380 3.664 3.397 3.810 . 0 0 "[ . 1]" 1
89 1 13 ILE HB 1 14 ALA H . . 4.240 4.052 4.004 4.105 . 0 0 "[ . 1]" 1
90 1 13 ILE QG 1 14 ALA H . . 5.070 3.912 3.723 4.022 . 0 0 "[ . 1]" 1
91 1 13 ILE MG 1 14 ALA H . . 3.910 2.196 2.047 2.365 . 0 0 "[ . 1]" 1
92 1 13 ILE MG 1 15 GLY H . . 5.350 4.572 4.230 4.776 . 0 0 "[ . 1]" 1
93 1 14 ALA H 1 14 ALA MB . . 3.010 2.164 2.034 2.271 . 0 0 "[ . 1]" 1
94 1 14 ALA H 1 15 GLY H . . 3.530 2.793 2.419 2.977 . 0 0 "[ . 1]" 1
95 1 14 ALA H 1 16 VAL H . . 4.010 3.967 3.898 4.010 . 0 0 "[ . 1]" 1
96 1 14 ALA H 1 16 VAL QG . . 5.360 4.148 3.695 4.388 . 0 0 "[ . 1]" 1
97 1 14 ALA MB 1 15 GLY H . . 3.540 2.381 2.213 2.698 . 0 0 "[ . 1]" 1
98 1 14 ALA MB 1 16 VAL H . . 4.560 4.325 4.141 4.559 . 0 0 "[ . 1]" 1
99 1 14 ALA MB 1 16 VAL QG . . 4.850 4.761 4.481 4.850 . 0 0 "[ . 1]" 1
100 1 14 ALA MB 1 17 ALA H . . 5.090 4.818 4.513 5.075 . 0 0 "[ . 1]" 1
101 1 15 GLY H 1 16 VAL H . . 3.470 2.619 2.460 2.760 . 0 0 "[ . 1]" 1
102 1 15 GLY H 1 16 VAL HB . . 5.270 4.965 4.748 5.130 . 0 0 "[ . 1]" 1
103 1 15 GLY H 1 16 VAL QG . . 4.740 3.821 3.721 4.048 . 0 0 "[ . 1]" 1
104 1 15 GLY H 1 18 ALA MB . . 4.560 4.400 4.296 4.522 . 0 0 "[ . 1]" 1
105 1 15 GLY QA 1 18 ALA H . . 4.200 3.264 2.927 3.664 . 0 0 "[ . 1]" 1
106 1 15 GLY QA 1 19 LEU H . . 4.890 4.283 3.937 4.683 . 0 0 "[ . 1]" 1
107 1 15 GLY HA2 1 18 ALA H . . 5.060 3.348 2.985 3.783 . 0 0 "[ . 1]" 1
108 1 15 GLY HA2 1 18 ALA MB . . 4.640 2.272 1.989 2.505 . 0 0 "[ . 1]" 1
109 1 15 GLY HA3 1 18 ALA H . . 5.060 4.537 4.223 4.898 . 0 0 "[ . 1]" 1
110 1 15 GLY HA3 1 18 ALA MB . . 4.640 3.759 3.420 3.958 . 0 0 "[ . 1]" 1
111 1 16 VAL H 1 16 VAL HB . . 3.260 2.570 2.442 2.625 . 0 0 "[ . 1]" 1
112 1 16 VAL H 1 16 VAL MG1 . . 4.240 3.282 2.070 3.786 . 0 0 "[ . 1]" 1
113 1 16 VAL H 1 16 VAL QG . . 3.130 2.127 1.997 2.224 . 0 0 "[ . 1]" 1
114 1 16 VAL H 1 16 VAL MG2 . . 4.240 2.626 2.004 3.784 . 0 0 "[ . 1]" 1
115 1 16 VAL H 1 19 LEU H . . 5.270 5.014 4.765 5.214 . 0 0 "[ . 1]" 1
116 1 16 VAL HA 1 18 ALA H . . 5.410 4.288 4.040 4.650 . 0 0 "[ . 1]" 1
117 1 16 VAL HA 1 19 LEU H . . 4.110 3.831 3.546 4.096 . 0 0 "[ . 1]" 1
118 1 16 VAL HA 1 20 LEU H . . 5.500 5.142 4.615 5.494 . 0 0 "[ . 1]" 1
119 1 16 VAL MG1 1 17 ALA H . . 4.120 3.052 2.150 3.749 . 0 0 "[ . 1]" 1
120 1 16 VAL MG2 1 17 ALA H . . 4.120 3.747 3.550 3.895 . 0 0 "[ . 1]" 1
121 1 17 ALA H 1 17 ALA MB . . 3.030 2.171 2.028 2.310 . 0 0 "[ . 1]" 1
122 1 17 ALA H 1 18 ALA H . . 3.370 2.434 2.261 2.661 . 0 0 "[ . 1]" 1
123 1 17 ALA H 1 19 LEU H . . 4.600 4.054 3.893 4.233 . 0 0 "[ . 1]" 1
124 1 17 ALA H 1 20 LEU H . . 5.440 5.116 4.865 5.456 0.016 10 0 "[ . 1]" 1
125 1 17 ALA HA 1 19 LEU H . . 4.600 3.878 3.700 4.029 . 0 0 "[ . 1]" 1
126 1 17 ALA HA 1 21 PHE H . . 4.510 3.931 3.709 4.167 . 0 0 "[ . 1]" 1
127 1 17 ALA MB 1 21 PHE H . . 4.790 4.187 4.088 4.284 . 0 0 "[ . 1]" 1
128 1 18 ALA H 1 18 ALA MB . . 3.250 2.120 2.038 2.233 . 0 0 "[ . 1]" 1
129 1 18 ALA H 1 19 LEU H . . 3.470 2.585 2.468 2.712 . 0 0 "[ . 1]" 1
130 1 18 ALA H 1 20 LEU H . . 4.820 4.240 3.967 4.827 0.007 10 0 "[ . 1]" 1
131 1 18 ALA H 1 21 PHE H . . 5.210 4.893 4.603 5.218 0.008 10 0 "[ . 1]" 1
132 1 18 ALA H 1 22 GLY H . . 5.500 5.374 5.206 5.504 0.004 10 0 "[ . 1]" 1
133 1 18 ALA HA 1 21 PHE H . . 4.720 3.728 3.305 4.031 . 0 0 "[ . 1]" 1
134 1 18 ALA HA 1 22 GLY H . . 3.940 3.206 2.988 3.374 . 0 0 "[ . 1]" 1
135 1 18 ALA MB 1 19 LEU H . . 3.340 2.904 2.858 2.975 . 0 0 "[ . 1]" 1
136 1 18 ALA MB 1 19 LEU HG . . 4.270 3.776 3.430 4.201 . 0 0 "[ . 1]" 1
137 1 18 ALA MB 1 21 PHE H . . 5.390 4.938 4.588 5.172 . 0 0 "[ . 1]" 1
138 1 18 ALA MB 1 22 GLY H . . 4.520 4.189 4.068 4.375 . 0 0 "[ . 1]" 1
139 1 19 LEU H 1 19 LEU QB . . 3.150 2.223 2.067 2.410 . 0 0 "[ . 1]" 1
140 1 19 LEU H 1 19 LEU MD1 . . 4.490 3.585 3.244 3.928 . 0 0 "[ . 1]" 1
141 1 19 LEU H 1 19 LEU QD . . 3.860 3.311 3.059 3.576 . 0 0 "[ . 1]" 1
142 1 19 LEU H 1 19 LEU MD2 . . 4.490 3.959 3.343 4.216 . 0 0 "[ . 1]" 1
143 1 19 LEU H 1 19 LEU HG . . 4.500 2.920 2.355 3.369 . 0 0 "[ . 1]" 1
144 1 19 LEU H 1 20 LEU H . . 3.470 2.501 2.302 2.791 . 0 0 "[ . 1]" 1
145 1 19 LEU H 1 20 LEU QB . . 4.860 4.616 4.331 4.860 0.000 1 0 "[ . 1]" 1
146 1 19 LEU H 1 20 LEU MD1 . . 5.500 4.965 4.337 5.498 . 0 0 "[ . 1]" 1
147 1 19 LEU H 1 20 LEU MD2 . . 5.500 4.872 3.385 5.349 . 0 0 "[ . 1]" 1
148 1 19 LEU H 1 21 PHE H . . 4.940 4.169 3.780 4.437 . 0 0 "[ . 1]" 1
149 1 19 LEU H 1 21 PHE QB . . 5.340 5.123 4.700 5.339 . 0 0 "[ . 1]" 1
150 1 19 LEU HA 1 22 GLY H . . 4.390 3.948 3.703 4.225 . 0 0 "[ . 1]" 1
151 1 19 LEU QB 1 20 LEU H . . 3.800 2.694 2.160 2.935 . 0 0 "[ . 1]" 1
152 1 19 LEU QB 1 21 PHE H . . 5.340 4.865 4.527 5.081 . 0 0 "[ . 1]" 1
153 1 19 LEU QD 1 22 GLY H . . 5.440 5.325 5.227 5.437 . 0 0 "[ . 1]" 1
154 1 20 LEU H 1 20 LEU HB2 . . 3.650 2.743 2.345 3.654 0.004 1 0 "[ . 1]" 1
155 1 20 LEU H 1 20 LEU HB3 . . 3.650 3.421 2.665 3.645 . 0 0 "[ . 1]" 1
156 1 20 LEU H 1 20 LEU MD1 . . 4.800 3.427 2.205 3.820 . 0 0 "[ . 1]" 1
157 1 20 LEU H 1 20 LEU QD . . 3.950 2.946 1.783 3.323 . 0 0 "[ . 1]" 1
158 1 20 LEU H 1 20 LEU MD2 . . 4.800 3.262 1.883 3.749 . 0 0 "[ . 1]" 1
159 1 20 LEU H 1 20 LEU HG . . 3.540 2.452 2.044 3.734 0.194 10 0 "[ . 1]" 1
160 1 20 LEU H 1 21 PHE H . . 3.520 2.556 2.241 2.956 . 0 0 "[ . 1]" 1
161 1 20 LEU H 1 21 PHE QB . . 5.070 4.328 4.058 4.673 . 0 0 "[ . 1]" 1
162 1 20 LEU H 1 22 GLY H . . 4.280 3.794 3.523 4.281 0.001 10 0 "[ . 1]" 1
163 1 20 LEU QB 1 21 PHE H . . 3.580 2.518 2.105 3.488 . 0 0 "[ . 1]" 1
164 1 20 LEU QB 1 22 GLY H . . 5.340 4.578 4.302 4.932 . 0 0 "[ . 1]" 1
165 1 20 LEU HB2 1 21 PHE H . . 4.130 2.626 2.126 3.923 . 0 0 "[ . 1]" 1
166 1 20 LEU HB3 1 21 PHE H . . 4.130 3.538 3.249 3.907 . 0 0 "[ . 1]" 1
167 1 20 LEU QD 1 21 PHE H . . 4.440 3.535 2.507 4.182 . 0 0 "[ . 1]" 1
168 1 20 LEU QD 1 22 GLY H . . 5.440 5.099 4.273 5.435 . 0 0 "[ . 1]" 1
169 1 20 LEU MD1 1 21 PHE H . . 5.440 3.866 2.549 4.631 . 0 0 "[ . 1]" 1
170 1 20 LEU MD2 1 21 PHE H . . 5.440 4.318 3.199 4.763 . 0 0 "[ . 1]" 1
171 1 20 LEU HG 1 21 PHE H . . 4.770 3.831 1.976 4.778 0.008 10 0 "[ . 1]" 1
172 1 21 PHE H 1 21 PHE HB2 . . 3.930 2.252 2.078 2.455 . 0 0 "[ . 1]" 1
173 1 21 PHE H 1 21 PHE QB . . 3.380 2.183 2.056 2.335 . 0 0 "[ . 1]" 1
174 1 21 PHE H 1 21 PHE HB3 . . 3.930 3.134 2.660 3.584 . 0 0 "[ . 1]" 1
175 1 21 PHE H 1 21 PHE QD . . 4.200 3.594 2.936 4.170 . 0 0 "[ . 1]" 1
176 1 21 PHE H 1 22 GLY H . . 3.230 2.542 2.152 2.793 . 0 0 "[ . 1]" 1
177 1 21 PHE H 1 22 GLY QA . . 5.000 4.409 4.079 4.576 . 0 0 "[ . 1]" 1
178 1 21 PHE QB 1 22 GLY H . . 3.810 2.717 2.511 2.914 . 0 0 "[ . 1]" 1
179 1 21 PHE HB2 1 22 GLY H . . 4.470 3.301 2.639 3.968 . 0 0 "[ . 1]" 1
180 1 21 PHE HB3 1 22 GLY H . . 4.470 3.023 2.682 3.554 . 0 0 "[ . 1]" 1
181 1 21 PHE QD 1 22 GLY H . . 4.960 4.429 3.952 4.669 . 0 0 "[ . 1]" 1
182 1 22 GLY H 1 23 PRO QD . . 4.020 3.189 2.306 3.940 . 0 0 "[ . 1]" 1
183 1 22 GLY H 1 23 PRO QG . . 5.350 5.027 4.258 5.623 0.273 7 0 "[ . 1]" 1
184 1 22 GLY QA 1 23 PRO QD . . 3.090 2.002 1.885 2.195 . 0 0 "[ . 1]" 1
185 1 23 PRO QB 1 24 LYS H . . 4.070 2.751 2.063 3.722 . 0 0 "[ . 1]" 1
186 1 24 LYS H 1 24 LYS QD . . 5.170 4.284 2.536 5.086 . 0 0 "[ . 1]" 1
187 1 24 LYS H 1 24 LYS QG . . 4.600 3.354 1.976 4.309 . 0 0 "[ . 1]" 1
188 1 24 LYS H 1 25 LYS H . . 3.630 2.669 1.895 3.237 . 0 0 "[ . 1]" 1
189 1 24 LYS H 1 26 LEU H . . 5.090 4.157 2.775 5.090 . 0 0 "[ . 1]" 1
190 1 24 LYS H 1 27 PRO QD . . 5.230 4.358 1.983 5.234 0.004 5 0 "[ . 1]" 1
191 1 24 LYS QB 1 26 LEU H . . 5.120 4.388 2.437 5.122 0.002 1 0 "[ . 1]" 1
192 1 24 LYS QD 1 25 LYS H . . 4.630 4.372 3.652 4.628 . 0 0 "[ . 1]" 1
193 1 24 LYS QG 1 25 LYS H . . 3.690 3.259 1.958 3.692 0.002 6 0 "[ . 1]" 1
194 1 24 LYS QG 1 26 LEU H . . 5.340 4.131 2.195 5.335 . 0 0 "[ . 1]" 1
195 1 25 LYS H 1 26 LEU H . . 3.510 2.297 1.900 2.781 . 0 0 "[ . 1]" 1
196 1 25 LYS H 1 27 PRO QD . . 4.950 3.307 2.531 3.956 . 0 0 "[ . 1]" 1
197 1 26 LEU H 1 26 LEU QB . . 3.610 2.953 2.081 3.396 . 0 0 "[ . 1]" 1
198 1 26 LEU H 1 26 LEU QD . . 4.370 3.313 2.914 3.672 . 0 0 "[ . 1]" 1
199 1 26 LEU H 1 26 LEU HG . . 3.230 2.913 2.572 3.252 0.022 9 0 "[ . 1]" 1
200 1 26 LEU H 1 27 PRO HD2 . . 4.110 3.071 1.904 4.075 . 0 0 "[ . 1]" 1
201 1 26 LEU H 1 27 PRO HD3 . . 4.110 2.747 2.348 3.361 . 0 0 "[ . 1]" 1
202 1 26 LEU HA 1 27 PRO QG . . 4.850 4.185 3.910 5.215 0.365 6 0 "[ . 1]" 1
203 1 26 LEU HA 1 28 GLU H . . 3.810 3.274 3.047 3.853 0.043 9 0 "[ . 1]" 1
204 1 26 LEU QB 1 28 GLU H . . 4.500 3.674 3.203 4.111 . 0 0 "[ . 1]" 1
205 1 26 LEU HB2 1 28 GLU H . . 5.190 4.464 3.397 4.880 . 0 0 "[ . 1]" 1
206 1 26 LEU HB3 1 28 GLU H . . 5.190 4.109 3.296 4.837 . 0 0 "[ . 1]" 1
207 1 26 LEU QD 1 27 PRO QD . . 5.060 3.761 3.173 4.270 . 0 0 "[ . 1]" 1
208 1 27 PRO HA 1 29 ILE H . . 4.050 3.625 3.391 3.719 . 0 0 "[ . 1]" 1
209 1 27 PRO HA 1 29 ILE MD . . 4.440 3.572 2.022 4.220 . 0 0 "[ . 1]" 1
210 1 27 PRO HA 1 29 ILE MG . . 4.860 4.574 3.938 4.861 0.001 9 0 "[ . 1]" 1
211 1 27 PRO HA 1 30 GLY H . . 4.430 3.350 3.103 3.645 . 0 0 "[ . 1]" 1
212 1 27 PRO HA 1 31 LYS H . . 5.500 5.396 4.995 5.501 0.001 8 0 "[ . 1]" 1
213 1 27 PRO QD 1 28 GLU H . . 4.120 2.767 2.664 2.970 . 0 0 "[ . 1]" 1
214 1 27 PRO QD 1 29 ILE H . . 5.210 4.894 4.700 5.215 0.005 8 0 "[ . 1]" 1
215 1 27 PRO HD2 1 28 GLU H . . 4.850 2.827 2.713 3.054 . 0 0 "[ . 1]" 1
216 1 27 PRO HD3 1 28 GLU H . . 4.850 3.938 3.879 4.057 . 0 0 "[ . 1]" 1
217 1 28 GLU H 1 28 GLU HB2 . . 4.000 3.572 3.516 3.593 . 0 0 "[ . 1]" 1
218 1 28 GLU H 1 28 GLU QB . . 3.220 2.428 2.199 2.606 . 0 0 "[ . 1]" 1
219 1 28 GLU H 1 28 GLU HB3 . . 4.000 2.473 2.222 2.677 . 0 0 "[ . 1]" 1
220 1 28 GLU H 1 28 GLU HG2 . . 4.050 2.513 1.980 3.084 . 0 0 "[ . 1]" 1
221 1 28 GLU H 1 28 GLU QG . . 3.540 2.299 1.966 2.746 . 0 0 "[ . 1]" 1
222 1 28 GLU H 1 28 GLU HG3 . . 4.050 3.169 2.254 3.979 . 0 0 "[ . 1]" 1
223 1 28 GLU H 1 29 ILE H . . 3.560 2.748 2.715 2.782 . 0 0 "[ . 1]" 1
224 1 28 GLU H 1 29 ILE MG . . 5.500 4.040 3.677 4.305 . 0 0 "[ . 1]" 1
225 1 28 GLU H 1 30 GLY H . . 5.500 4.261 4.167 4.436 . 0 0 "[ . 1]" 1
226 1 28 GLU HA 1 30 GLY H . . 4.770 3.980 3.787 4.273 . 0 0 "[ . 1]" 1
227 1 28 GLU QG 1 29 ILE H . . 3.740 2.211 2.010 2.483 . 0 0 "[ . 1]" 1
228 1 28 GLU QG 1 30 GLY H . . 4.890 4.436 4.366 4.537 . 0 0 "[ . 1]" 1
229 1 29 ILE H 1 29 ILE HB . . 3.780 3.614 3.594 3.628 . 0 0 "[ . 1]" 1
230 1 29 ILE H 1 29 ILE MD . . 4.330 3.322 1.854 3.782 . 0 0 "[ . 1]" 1
231 1 29 ILE H 1 29 ILE HG12 . . 3.930 2.812 1.953 3.513 . 0 0 "[ . 1]" 1
232 1 29 ILE H 1 29 ILE QG . . 3.340 2.346 1.934 3.269 . 0 0 "[ . 1]" 1
233 1 29 ILE H 1 29 ILE HG13 . . 3.930 2.967 2.014 3.893 . 0 0 "[ . 1]" 1
234 1 29 ILE H 1 29 ILE MG . . 3.880 2.135 1.828 2.376 . 0 0 "[ . 1]" 1
235 1 29 ILE H 1 30 GLY H . . 3.690 2.609 2.492 2.790 . 0 0 "[ . 1]" 1
236 1 29 ILE H 1 30 GLY QA . . 5.020 4.493 4.382 4.652 . 0 0 "[ . 1]" 1
237 1 29 ILE HA 1 29 ILE MG . . 3.710 2.342 2.235 2.496 . 0 0 "[ . 1]" 1
238 1 29 ILE HB 1 30 GLY H . . 3.990 3.940 3.686 4.142 0.152 4 0 "[ . 1]" 1
239 1 29 ILE MD 1 30 GLY H . . 5.120 3.060 1.884 3.975 . 0 0 "[ . 1]" 1
240 1 29 ILE QG 1 30 GLY H . . 4.320 2.211 1.942 2.651 . 0 0 "[ . 1]" 1
241 1 29 ILE QG 1 31 LYS H . . 4.650 4.396 4.293 4.646 . 0 0 "[ . 1]" 1
242 1 29 ILE HG12 1 30 GLY H . . 5.010 3.082 2.560 3.786 . 0 0 "[ . 1]" 1
243 1 29 ILE HG13 1 30 GLY H . . 5.010 2.579 1.949 4.084 . 0 0 "[ . 1]" 1
244 1 29 ILE MG 1 30 GLY H . . 4.060 3.888 3.734 4.037 . 0 0 "[ . 1]" 1
245 1 29 ILE MG 1 30 GLY QA . . 5.340 4.918 4.837 4.960 . 0 0 "[ . 1]" 1
246 1 29 ILE MG 1 32 SER H . . 5.500 5.274 5.016 5.498 . 0 0 "[ . 1]" 1
247 1 30 GLY H 1 31 LYS H . . 3.820 2.579 2.418 2.696 . 0 0 "[ . 1]" 1
248 1 30 GLY H 1 32 SER H . . 5.480 4.214 3.889 4.734 . 0 0 "[ . 1]" 1
249 1 30 GLY H 1 33 ILE H . . 5.490 5.051 4.796 5.403 . 0 0 "[ . 1]" 1
250 1 30 GLY QA 1 33 ILE H . . 4.900 3.626 3.067 3.997 . 0 0 "[ . 1]" 1
251 1 31 LYS H 1 31 LYS QB . . 3.140 2.231 2.039 2.568 . 0 0 "[ . 1]" 1
252 1 31 LYS H 1 32 SER H . . 3.910 2.463 2.257 2.694 . 0 0 "[ . 1]" 1
253 1 31 LYS QB 1 32 SER H . . 3.750 2.759 2.300 2.932 . 0 0 "[ . 1]" 1
254 1 32 SER H 1 32 SER QB . . 3.390 2.383 2.100 2.920 . 0 0 "[ . 1]" 1
255 1 32 SER H 1 33 ILE H . . 3.910 2.552 2.312 2.832 . 0 0 "[ . 1]" 1
256 1 32 SER H 1 34 GLY H . . 5.290 3.837 3.542 4.423 . 0 0 "[ . 1]" 1
257 1 32 SER HA 1 34 GLY H . . 4.890 4.230 3.726 4.591 . 0 0 "[ . 1]" 1
258 1 32 SER HA 1 35 LYS H . . 4.690 3.958 3.433 4.334 . 0 0 "[ . 1]" 1
259 1 33 ILE H 1 33 ILE HB . . 3.760 2.911 2.587 3.624 . 0 0 "[ . 1]" 1
260 1 33 ILE H 1 33 ILE MD . . 4.410 3.459 2.964 3.851 . 0 0 "[ . 1]" 1
261 1 33 ILE H 1 33 ILE HG12 . . 4.030 2.614 1.955 3.512 . 0 0 "[ . 1]" 1
262 1 33 ILE H 1 33 ILE QG . . 3.430 2.070 1.946 2.296 . 0 0 "[ . 1]" 1
263 1 33 ILE H 1 33 ILE HG13 . . 4.030 2.779 1.982 3.625 . 0 0 "[ . 1]" 1
264 1 33 ILE H 1 33 ILE MG . . 3.990 3.319 1.942 3.817 . 0 0 "[ . 1]" 1
265 1 33 ILE H 1 34 GLY H . . 3.870 2.514 2.197 2.709 . 0 0 "[ . 1]" 1
266 1 33 ILE HA 1 33 ILE QG . . 3.740 2.942 2.469 3.384 . 0 0 "[ . 1]" 1
267 1 33 ILE HA 1 33 ILE MG . . 3.660 2.304 2.225 2.397 . 0 0 "[ . 1]" 1
268 1 33 ILE HA 1 35 LYS H . . 4.440 4.175 3.556 4.460 0.020 10 0 "[ . 1]" 1
269 1 33 ILE HA 1 36 THR H . . 4.390 3.498 3.375 3.781 . 0 0 "[ . 1]" 1
270 1 33 ILE HA 1 37 VAL H . . 5.310 4.112 3.918 4.558 . 0 0 "[ . 1]" 1
271 1 33 ILE HB 1 34 GLY H . . 4.050 3.171 2.590 4.060 0.010 10 0 "[ . 1]" 1
272 1 33 ILE HB 1 37 VAL H . . 5.380 4.850 3.854 5.303 . 0 0 "[ . 1]" 1
273 1 33 ILE HG12 1 34 GLY H . . 5.040 4.246 3.486 5.015 . 0 0 "[ . 1]" 1
274 1 33 ILE HG13 1 34 GLY H . . 5.040 3.906 2.057 5.039 . 0 0 "[ . 1]" 1
275 1 33 ILE MG 1 34 GLY H . . 4.150 3.841 3.615 4.162 0.012 10 0 "[ . 1]" 1
276 1 34 GLY H 1 35 LYS H . . 3.940 2.791 2.323 2.941 . 0 0 "[ . 1]" 1
277 1 34 GLY H 1 35 LYS HA . . 5.470 5.351 5.000 5.481 0.011 7 0 "[ . 1]" 1
278 1 34 GLY H 1 36 THR H . . 5.270 4.198 3.685 4.914 . 0 0 "[ . 1]" 1
279 1 34 GLY H 1 37 VAL H . . 5.090 4.844 4.610 5.073 . 0 0 "[ . 1]" 1
280 1 34 GLY H 1 38 LYS H . . 5.500 5.540 5.466 5.607 0.107 10 0 "[ . 1]" 1
281 1 34 GLY QA 1 36 THR H . . 5.240 3.765 3.566 4.271 . 0 0 "[ . 1]" 1
282 1 34 GLY QA 1 37 VAL H . . 5.320 3.491 3.294 3.609 . 0 0 "[ . 1]" 1
283 1 34 GLY QA 1 38 LYS H . . 4.870 3.128 2.932 3.474 . 0 0 "[ . 1]" 1
284 1 35 LYS H 1 37 VAL H . . 5.270 4.492 4.011 4.802 . 0 0 "[ . 1]" 1
285 1 36 THR H 1 36 THR HB . . 3.430 2.870 2.582 3.369 . 0 0 "[ . 1]" 1
286 1 36 THR H 1 36 THR HG1 . . 4.300 2.762 2.401 3.260 . 0 0 "[ . 1]" 1
287 1 36 THR H 1 37 VAL H . . 3.810 2.517 2.288 2.612 . 0 0 "[ . 1]" 1
288 1 36 THR H 1 37 VAL HA . . 5.500 5.114 4.988 5.172 . 0 0 "[ . 1]" 1
289 1 36 THR H 1 37 VAL QG . . 5.010 3.611 3.229 3.998 . 0 0 "[ . 1]" 1
290 1 36 THR H 1 39 SER H . . 4.450 4.356 4.248 4.471 0.021 1 0 "[ . 1]" 1
291 1 36 THR HA 1 39 SER H . . 3.780 3.476 3.356 3.716 . 0 0 "[ . 1]" 1
292 1 36 THR HB 1 37 VAL H . . 3.680 2.404 2.079 2.908 . 0 0 "[ . 1]" 1
293 1 36 THR HG1 1 37 VAL H . . 4.310 3.716 2.951 4.139 . 0 0 "[ . 1]" 1
294 1 37 VAL H 1 37 VAL HB . . 3.470 2.811 2.547 3.613 0.143 3 0 "[ . 1]" 1
295 1 37 VAL H 1 38 LYS H . . 3.790 2.798 2.274 2.981 . 0 0 "[ . 1]" 1
296 1 37 VAL H 1 38 LYS QB . . 5.080 4.607 4.350 4.847 . 0 0 "[ . 1]" 1
297 1 37 VAL HB 1 38 LYS H . . 4.040 3.069 2.203 3.941 . 0 0 "[ . 1]" 1
298 1 37 VAL QG 1 38 LYS H . . 4.090 2.525 2.009 3.062 . 0 0 "[ . 1]" 1
299 1 38 LYS H 1 38 LYS QB . . 3.220 2.278 2.193 2.441 . 0 0 "[ . 1]" 1
300 1 38 LYS H 1 38 LYS QG . . 4.290 3.663 2.260 4.058 . 0 0 "[ . 1]" 1
301 1 38 LYS H 1 39 SER HA . . 5.390 5.139 4.861 5.370 . 0 0 "[ . 1]" 1
302 1 38 LYS HA 1 41 GLN H . . 4.360 3.417 3.080 3.802 . 0 0 "[ . 1]" 1
303 1 38 LYS QB 1 39 SER H . . 3.680 2.834 2.643 3.053 . 0 0 "[ . 1]" 1
304 1 39 SER H 1 39 SER HB2 . . 3.730 2.674 2.136 2.998 . 0 0 "[ . 1]" 1
305 1 39 SER H 1 39 SER HB3 . . 3.730 2.633 2.167 3.498 . 0 0 "[ . 1]" 1
306 1 39 SER H 1 40 PHE H . . 3.920 2.573 2.404 2.802 . 0 0 "[ . 1]" 1
307 1 39 SER H 1 41 GLN H . . 4.980 4.074 3.829 4.311 . 0 0 "[ . 1]" 1
308 1 39 SER HA 1 42 GLN H . . 4.540 3.660 3.348 4.109 . 0 0 "[ . 1]" 1
309 1 40 PHE H 1 40 PHE QB . . 3.200 2.182 2.044 2.299 . 0 0 "[ . 1]" 1
310 1 40 PHE H 1 40 PHE QD . . 4.710 3.952 3.427 4.188 . 0 0 "[ . 1]" 1
311 1 40 PHE H 1 41 GLN H . . 3.300 2.549 2.298 2.686 . 0 0 "[ . 1]" 1
312 1 40 PHE H 1 42 GLN H . . 4.320 4.218 4.124 4.325 0.005 4 0 "[ . 1]" 1
313 1 40 PHE HA 1 43 ALA H . . 4.400 3.438 3.074 3.628 . 0 0 "[ . 1]" 1
314 1 40 PHE HA 1 44 ALA H . . 4.750 4.336 4.059 4.527 . 0 0 "[ . 1]" 1
315 1 40 PHE QB 1 41 GLN H . . 3.600 2.779 2.603 2.968 . 0 0 "[ . 1]" 1
316 1 40 PHE QB 1 42 GLN H . . 5.180 4.751 4.569 4.865 . 0 0 "[ . 1]" 1
317 1 40 PHE QD 1 41 GLN H . . 5.220 4.244 3.411 4.739 . 0 0 "[ . 1]" 1
318 1 40 PHE QD 1 44 ALA H . . 5.500 4.361 3.668 5.074 . 0 0 "[ . 1]" 1
319 1 41 GLN H 1 41 GLN QB . . 3.190 2.192 2.041 2.412 . 0 0 "[ . 1]" 1
320 1 41 GLN H 1 41 GLN HG2 . . 4.140 3.175 2.337 3.722 . 0 0 "[ . 1]" 1
321 1 41 GLN H 1 41 GLN QG . . 3.480 2.899 2.291 3.458 . 0 0 "[ . 1]" 1
322 1 41 GLN H 1 41 GLN HG3 . . 4.140 3.558 2.740 4.135 . 0 0 "[ . 1]" 1
323 1 41 GLN H 1 42 GLN H . . 3.690 2.678 2.553 2.764 . 0 0 "[ . 1]" 1
324 1 41 GLN H 1 43 ALA H . . 4.820 4.127 3.801 4.528 . 0 0 "[ . 1]" 1
325 1 42 GLN H 1 42 GLN QB . . 2.900 2.197 2.051 2.469 . 0 0 "[ . 1]" 1
326 1 42 GLN H 1 42 GLN QG . . 4.050 3.475 2.362 4.026 . 0 0 "[ . 1]" 1
327 1 42 GLN H 1 43 ALA H . . 3.480 2.616 2.354 2.806 . 0 0 "[ . 1]" 1
328 1 42 GLN H 1 43 ALA MB . . 4.740 4.285 4.041 4.591 . 0 0 "[ . 1]" 1
329 1 42 GLN QB 1 43 ALA H . . 3.510 2.845 2.565 3.510 . 0 0 "[ . 1]" 1
330 1 42 GLN QG 1 43 ALA H . . 4.720 4.061 2.050 4.625 . 0 0 "[ . 1]" 1
331 1 43 ALA H 1 43 ALA MB . . 3.140 2.170 2.082 2.316 . 0 0 "[ . 1]" 1
332 1 43 ALA H 1 44 ALA H . . 3.370 2.392 2.148 2.816 . 0 0 "[ . 1]" 1
333 1 43 ALA H 1 45 LYS H . . 5.180 4.046 3.709 4.354 . 0 0 "[ . 1]" 1
334 1 44 ALA H 1 44 ALA MB . . 3.020 2.122 2.027 2.259 . 0 0 "[ . 1]" 1
335 1 44 ALA H 1 45 LYS H . . 3.510 2.687 2.452 2.813 . 0 0 "[ . 1]" 1
336 1 44 ALA H 1 47 PHE QD . . 5.500 5.066 4.530 5.503 0.003 6 0 "[ . 1]" 1
337 1 44 ALA MB 1 45 LYS H . . 3.590 2.818 2.616 2.959 . 0 0 "[ . 1]" 1
338 1 45 LYS H 1 45 LYS QB . . 2.990 2.125 2.038 2.228 . 0 0 "[ . 1]" 1
339 1 45 LYS H 1 46 GLU H . . 3.390 2.697 2.393 2.783 . 0 0 "[ . 1]" 1
340 1 45 LYS QB 1 46 GLU H . . 3.610 2.778 2.645 2.948 . 0 0 "[ . 1]" 1
341 1 46 GLU H 1 47 PHE H . . 3.170 2.359 2.222 2.604 . 0 0 "[ . 1]" 1
342 1 46 GLU H 1 47 PHE QD . . 5.500 4.972 4.547 5.568 0.068 6 0 "[ . 1]" 1
343 1 47 PHE H 1 47 PHE HB2 . . 3.410 2.165 2.066 2.780 . 0 0 "[ . 1]" 1
344 1 47 PHE H 1 47 PHE QB . . 2.960 2.086 2.044 2.200 . 0 0 "[ . 1]" 1
345 1 47 PHE H 1 47 PHE HB3 . . 3.410 3.183 2.306 3.375 . 0 0 "[ . 1]" 1
346 1 47 PHE H 1 47 PHE QD . . 4.720 3.391 3.000 4.082 . 0 0 "[ . 1]" 1
347 1 47 PHE QB 1 48 GLU H . . 3.590 2.914 2.487 3.377 . 0 0 "[ . 1]" 1
348 1 47 PHE HB2 1 48 GLU H . . 4.300 3.463 3.183 4.179 . 0 0 "[ . 1]" 1
349 1 47 PHE HB3 1 48 GLU H . . 4.300 3.208 2.561 3.876 . 0 0 "[ . 1]" 1
350 1 48 GLU H 1 50 GLU H . . 4.210 4.108 3.968 4.211 0.001 5 0 "[ . 1]" 1
351 1 49 SER H 1 49 SER QB . . 3.630 2.376 2.094 2.677 . 0 0 "[ . 1]" 1
352 1 49 SER H 1 50 GLU H . . 3.640 2.422 2.238 2.677 . 0 0 "[ . 1]" 1
353 1 49 SER H 1 50 GLU QG . . 4.890 4.480 3.918 4.889 . 0 0 "[ . 1]" 1
354 1 50 GLU H 1 50 GLU HB2 . . 4.160 2.870 2.222 4.047 . 0 0 "[ . 1]" 1
355 1 50 GLU H 1 50 GLU QB . . 3.310 2.728 2.199 3.321 0.011 5 0 "[ . 1]" 1
356 1 50 GLU H 1 50 GLU HB3 . . 4.160 3.743 3.517 4.086 . 0 0 "[ . 1]" 1
357 1 50 GLU H 1 50 GLU QG . . 4.230 2.785 2.353 3.222 . 0 0 "[ . 1]" 1
358 1 50 GLU H 1 51 LEU H . . 3.760 2.782 1.938 3.736 . 0 0 "[ . 1]" 1
359 1 50 GLU H 1 52 LYS H . . 4.440 4.028 2.691 4.440 . 0 0 "[ . 1]" 1
360 1 50 GLU QB 1 51 LEU H . . 4.190 3.123 1.938 3.896 . 0 0 "[ . 1]" 1
361 1 50 GLU HB2 1 51 LEU H . . 4.820 3.425 1.971 4.623 . 0 0 "[ . 1]" 1
362 1 50 GLU HB3 1 51 LEU H . . 4.820 3.747 2.848 4.434 . 0 0 "[ . 1]" 1
363 1 50 GLU QG 1 51 LEU H . . 5.170 4.070 2.120 4.524 . 0 0 "[ . 1]" 1
364 1 51 LEU H 1 51 LEU QB . . 3.320 2.812 2.106 3.321 0.001 5 0 "[ . 1]" 1
365 1 51 LEU H 1 51 LEU QD . . 4.930 3.676 3.315 4.097 . 0 0 "[ . 1]" 1
366 1 51 LEU H 1 52 LYS H . . 3.990 2.213 1.899 2.684 . 0 0 "[ . 1]" 1
367 1 51 LEU H 1 52 LYS QB . . 5.340 4.364 3.542 4.855 . 0 0 "[ . 1]" 1
368 1 51 LEU H 1 52 LYS QG . . 5.340 4.555 3.096 5.356 0.016 7 0 "[ . 1]" 1
369 1 51 LEU HB2 1 52 LYS H . . 5.500 3.967 3.283 4.475 . 0 0 "[ . 1]" 1
370 1 51 LEU HB3 1 52 LYS H . . 5.500 3.651 2.715 4.587 . 0 0 "[ . 1]" 1
371 1 52 LYS H 1 52 LYS QG . . 5.140 3.096 2.418 4.183 . 0 0 "[ . 1]" 1
372 1 52 LYS H 1 53 THR H . . 4.760 3.687 2.683 4.551 . 0 0 "[ . 1]" 1
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