NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
582586 |
2mn4   |
19879 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mn4
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 1001
_Distance_constraint_stats_list.Viol_count 931
_Distance_constraint_stats_list.Viol_total 684.441
_Distance_constraint_stats_list.Viol_max 0.157
_Distance_constraint_stats_list.Viol_rms 0.0101
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0368
_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 7 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLU 0.027 0.013 12 0 "[ . 1 . 2]"
1 11 GLN 0.072 0.035 20 0 "[ . 1 . 2]"
1 12 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 PHE 0.020 0.013 3 0 "[ . 1 . 2]"
1 15 LEU 0.888 0.062 16 0 "[ . 1 . 2]"
1 16 PRO 0.075 0.028 13 0 "[ . 1 . 2]"
1 17 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LEU 0.075 0.028 13 0 "[ . 1 . 2]"
1 20 ALA 0.046 0.014 1 0 "[ . 1 . 2]"
1 21 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ILE 0.705 0.058 5 0 "[ . 1 . 2]"
1 23 ILE 0.097 0.029 5 0 "[ . 1 . 2]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ASN 0.102 0.051 14 0 "[ . 1 . 2]"
1 26 LEU 0.733 0.051 14 0 "[ . 1 . 2]"
1 27 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 PRO 0.049 0.008 4 0 "[ . 1 . 2]"
1 29 THR 0.837 0.065 1 0 "[ . 1 . 2]"
1 30 LYS 0.267 0.050 4 0 "[ . 1 . 2]"
1 31 ILE 1.040 0.065 1 0 "[ . 1 . 2]"
1 32 LEU 0.033 0.017 16 0 "[ . 1 . 2]"
1 33 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LEU 0.662 0.056 5 0 "[ . 1 . 2]"
1 37 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ARG 0.307 0.073 4 0 "[ . 1 . 2]"
1 39 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 LEU 2.807 0.131 4 0 "[ . 1 . 2]"
1 41 LEU 3.386 0.116 19 0 "[ . 1 . 2]"
1 42 THR 5.434 0.131 4 0 "[ . 1 . 2]"
1 43 PRO 0.446 0.081 8 0 "[ . 1 . 2]"
1 44 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLU 0.997 0.058 2 0 "[ . 1 . 2]"
1 46 LEU 1.815 0.110 7 0 "[ . 1 . 2]"
1 47 GLN 2.556 0.157 7 0 "[ . 1 . 2]"
1 48 GLU 2.060 0.110 7 0 "[ . 1 . 2]"
1 49 VAL 1.341 0.108 5 0 "[ . 1 . 2]"
1 50 LEU 0.516 0.073 7 0 "[ . 1 . 2]"
1 51 ASP 0.518 0.057 19 0 "[ . 1 . 2]"
1 52 LEU 2.414 0.096 5 0 "[ . 1 . 2]"
1 53 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 THR 0.942 0.077 18 0 "[ . 1 . 2]"
1 55 PRO 0.007 0.007 20 0 "[ . 1 . 2]"
1 56 GLU 0.044 0.029 5 0 "[ . 1 . 2]"
1 57 GLU 0.656 0.074 7 0 "[ . 1 . 2]"
1 58 GLN 2.724 0.074 7 0 "[ . 1 . 2]"
1 59 ALA 0.840 0.058 5 0 "[ . 1 . 2]"
1 60 LYS 0.382 0.054 18 0 "[ . 1 . 2]"
1 61 LYS 1.547 0.108 5 0 "[ . 1 . 2]"
1 62 LEU 1.933 0.135 4 0 "[ . 1 . 2]"
1 63 ILE 1.035 0.153 16 0 "[ . 1 . 2]"
1 64 ASP 0.870 0.153 16 0 "[ . 1 . 2]"
1 65 PHE 2.471 0.135 4 0 "[ . 1 . 2]"
1 66 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 LEU 1.010 0.062 16 0 "[ . 1 . 2]"
1 68 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 LEU 0.747 0.054 20 0 "[ . 1 . 2]"
1 70 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 PRO 0.697 0.059 6 0 "[ . 1 . 2]"
1 72 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ASP 0.747 0.054 20 0 "[ . 1 . 2]"
1 74 VAL 0.761 0.059 6 0 "[ . 1 . 2]"
1 75 GLN 0.041 0.021 4 0 "[ . 1 . 2]"
1 76 ALA 0.687 0.051 19 0 "[ . 1 . 2]"
1 77 ARG 1.137 0.098 4 0 "[ . 1 . 2]"
1 78 ILE 0.700 0.045 3 0 "[ . 1 . 2]"
1 79 ASN 0.646 0.051 19 0 "[ . 1 . 2]"
1 80 VAL 1.403 0.098 4 0 "[ . 1 . 2]"
1 81 LEU 1.611 0.079 2 0 "[ . 1 . 2]"
1 82 ARG 0.605 0.080 19 0 "[ . 1 . 2]"
1 83 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 TYR 0.193 0.047 9 0 "[ . 1 . 2]"
1 87 GLN 2.346 0.079 2 0 "[ . 1 . 2]"
1 88 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 LEU 0.867 0.071 6 0 "[ . 1 . 2]"
1 90 ALA 0.038 0.015 20 0 "[ . 1 . 2]"
1 91 ASP 0.023 0.011 17 0 "[ . 1 . 2]"
1 92 LYS 0.026 0.014 3 0 "[ . 1 . 2]"
1 93 LEU 0.351 0.041 4 0 "[ . 1 . 2]"
1 94 ASN 0.827 0.049 14 0 "[ . 1 . 2]"
1 95 LYS 0.914 0.055 19 0 "[ . 1 . 2]"
1 96 TYR 0.014 0.014 3 0 "[ . 1 . 2]"
1 97 LEU 1.661 0.113 14 0 "[ . 1 . 2]"
1 98 THR 1.281 0.113 14 0 "[ . 1 . 2]"
1 99 LEU 0.114 0.017 3 0 "[ . 1 . 2]"
1 100 GLU 1.054 0.082 10 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 8 THR H 1 8 THR MG 3.200 . 4.000 2.970 2.191 3.309 . 0 0 "[ . 1 . 2]" 1
2 1 8 THR H 1 8 THR HA 2.300 . 3.100 2.938 2.928 2.947 . 0 0 "[ . 1 . 2]" 1
3 1 9 PRO HB3 1 10 GLU H 3.000 . 4.300 4.096 3.960 4.220 . 0 0 "[ . 1 . 2]" 1
4 1 10 GLU H 1 10 GLU HB3 2.400 . 3.200 2.877 2.719 2.934 . 0 0 "[ . 1 . 2]" 1
5 1 10 GLU H 1 11 GLN H 3.000 . 3.700 2.657 2.527 2.764 . 0 0 "[ . 1 . 2]" 1
6 1 10 GLU H 1 12 ARG H 3.800 . 4.500 4.093 3.947 4.230 . 0 0 "[ . 1 . 2]" 1
7 1 11 GLN HA 1 12 ARG H 3.600 . 4.400 3.516 3.502 3.533 . 0 0 "[ . 1 . 2]" 1
8 1 11 GLN H 1 12 ARG H 2.700 . 3.500 2.534 2.490 2.584 . 0 0 "[ . 1 . 2]" 1
9 1 12 ARG H 1 12 ARG HA 2.500 . 3.300 2.857 2.844 2.862 . 0 0 "[ . 1 . 2]" 1
10 1 12 ARG H 1 12 ARG QD 4.400 . 5.200 4.064 3.867 4.507 . 0 0 "[ . 1 . 2]" 1
11 1 12 ARG H 1 13 GLU H 2.800 . 3.600 2.580 2.535 2.651 . 0 0 "[ . 1 . 2]" 1
12 1 11 GLN HA 1 13 GLU H 3.400 . 4.200 3.874 3.705 4.128 . 0 0 "[ . 1 . 2]" 1
13 1 12 ARG HA 1 13 GLU H 2.800 2.300 3.600 3.393 3.340 3.473 . 0 0 "[ . 1 . 2]" 1
14 1 13 GLU H 1 13 GLU QB 2.600 . 3.400 2.280 2.203 2.324 . 0 0 "[ . 1 . 2]" 1
15 1 13 GLU H 1 13 GLU QG 3.100 . 4.400 3.135 2.829 4.136 . 0 0 "[ . 1 . 2]" 1
16 1 13 GLU H 1 14 PHE H 2.600 . 3.400 2.297 2.226 2.380 . 0 0 "[ . 1 . 2]" 1
17 1 11 GLN HA 1 14 PHE H 3.200 . 4.000 3.606 3.377 3.713 . 0 0 "[ . 1 . 2]" 1
18 1 13 GLU HA 1 14 PHE H 2.900 . 3.700 3.435 3.354 3.544 . 0 0 "[ . 1 . 2]" 1
19 1 13 GLU QB 1 14 PHE H 3.300 . 4.100 3.106 2.727 3.337 . 0 0 "[ . 1 . 2]" 1
20 1 13 GLU QG 1 14 PHE H 4.200 . 5.000 4.500 4.289 4.677 . 0 0 "[ . 1 . 2]" 1
21 1 14 PHE H 1 14 PHE HA 3.000 . 3.800 2.936 2.873 2.954 . 0 0 "[ . 1 . 2]" 1
22 1 14 PHE H 1 14 PHE HB3 2.600 . 3.900 3.646 2.846 3.745 . 0 0 "[ . 1 . 2]" 1
23 1 14 PHE H 1 14 PHE HB2 2.600 . 2.900 2.471 2.278 2.564 . 0 0 "[ . 1 . 2]" 1
24 1 14 PHE H 1 14 PHE QD 3.900 . 4.700 2.955 2.493 4.045 . 0 0 "[ . 1 . 2]" 1
25 1 14 PHE H 1 15 LEU QB 4.100 2.300 4.900 3.897 3.682 4.362 . 0 0 "[ . 1 . 2]" 1
26 1 11 GLN HA 1 15 LEU H 3.300 2.300 4.400 3.978 3.435 4.435 0.035 20 0 "[ . 1 . 2]" 1
27 1 13 GLU H 1 15 LEU H 3.200 . 4.200 3.842 3.474 4.179 . 0 0 "[ . 1 . 2]" 1
28 1 14 PHE HA 1 15 LEU H 3.600 . 4.400 3.455 3.287 3.565 . 0 0 "[ . 1 . 2]" 1
29 1 14 PHE HB3 1 15 LEU H 3.400 . 4.200 3.774 2.742 4.128 . 0 0 "[ . 1 . 2]" 1
30 1 14 PHE HB2 1 15 LEU H 3.400 . 4.200 3.150 2.679 3.656 . 0 0 "[ . 1 . 2]" 1
31 1 15 LEU H 1 15 LEU HA 2.600 . 3.400 2.851 2.796 2.902 . 0 0 "[ . 1 . 2]" 1
32 1 15 LEU H 1 15 LEU QB 2.600 . 3.400 2.169 2.097 2.283 . 0 0 "[ . 1 . 2]" 1
33 1 15 LEU H 1 15 LEU QD 3.800 2.300 4.800 3.264 2.506 3.697 . 0 0 "[ . 1 . 2]" 1
34 1 15 LEU H 1 16 PRO QD 3.500 . 4.300 2.194 1.997 2.347 . 0 0 "[ . 1 . 2]" 1
35 1 14 PHE HA 1 17 GLU H 4.000 . 4.800 3.917 3.747 4.140 . 0 0 "[ . 1 . 2]" 1
36 1 16 PRO QD 1 17 GLU H 3.900 . 4.700 2.686 2.510 2.794 . 0 0 "[ . 1 . 2]" 1
37 1 17 GLU H 1 17 GLU QB 3.000 . 3.800 2.288 2.147 2.411 . 0 0 "[ . 1 . 2]" 1
38 1 17 GLU H 1 18 ILE HA 4.300 2.300 5.300 4.992 4.746 5.079 . 0 0 "[ . 1 . 2]" 1
39 1 17 GLU H 1 18 ILE H 2.500 . 3.300 2.316 2.044 2.413 . 0 0 "[ . 1 . 2]" 1
40 1 17 GLU H 1 19 LEU MD1 4.500 2.300 6.000 5.293 4.323 5.967 . 0 0 "[ . 1 . 2]" 1
41 1 18 ILE H 1 18 ILE MD 3.800 . 4.600 3.442 3.372 3.690 . 0 0 "[ . 1 . 2]" 1
42 1 18 ILE H 1 18 ILE MG 3.700 2.300 4.500 2.627 2.554 2.654 . 0 0 "[ . 1 . 2]" 1
43 1 16 PRO HA 1 19 LEU H 3.500 . 4.300 3.745 3.543 4.044 . 0 0 "[ . 1 . 2]" 1
44 1 17 GLU HA 1 19 LEU H 3.700 . 5.000 4.274 4.167 4.359 . 0 0 "[ . 1 . 2]" 1
45 1 18 ILE HA 1 19 LEU H 4.200 . 5.000 3.475 3.456 3.497 . 0 0 "[ . 1 . 2]" 1
46 1 18 ILE HB 1 19 LEU H 3.400 2.300 4.200 3.765 3.740 3.809 . 0 0 "[ . 1 . 2]" 1
47 1 19 LEU H 1 19 LEU QD 3.800 2.300 4.600 3.379 2.897 3.672 . 0 0 "[ . 1 . 2]" 1
48 1 19 LEU H 1 19 LEU QB 2.900 . 3.700 2.183 2.017 2.642 . 0 0 "[ . 1 . 2]" 1
49 1 19 LEU H 1 20 ALA H 3.000 . 3.400 2.864 2.733 3.031 . 0 0 "[ . 1 . 2]" 1
50 1 20 ALA H 1 20 ALA HA 2.300 . 3.100 2.821 2.802 2.832 . 0 0 "[ . 1 . 2]" 1
51 1 20 ALA H 1 21 GLU H 2.700 . 3.500 2.688 2.634 2.742 . 0 0 "[ . 1 . 2]" 1
52 1 18 ILE HA 1 21 GLU H 3.800 . 4.600 3.470 3.363 3.626 . 0 0 "[ . 1 . 2]" 1
53 1 19 LEU HA 1 21 GLU H 4.000 . 4.800 4.488 4.382 4.621 . 0 0 "[ . 1 . 2]" 1
54 1 20 ALA MB 1 21 GLU H 3.100 . 3.900 2.514 2.467 2.555 . 0 0 "[ . 1 . 2]" 1
55 1 21 GLU H 1 21 GLU HA 2.700 . 3.500 2.856 2.854 2.857 . 0 0 "[ . 1 . 2]" 1
56 1 21 GLU H 1 21 GLU QB 2.700 . 3.500 2.285 2.155 2.302 . 0 0 "[ . 1 . 2]" 1
57 1 21 GLU H 1 22 ILE MG 4.200 2.300 5.000 4.216 4.072 4.291 . 0 0 "[ . 1 . 2]" 1
58 1 21 GLU H 1 22 ILE H 2.700 . 3.500 2.646 2.600 2.662 . 0 0 "[ . 1 . 2]" 1
59 1 21 GLU H 1 23 ILE H . . 4.900 4.429 4.369 4.490 . 0 0 "[ . 1 . 2]" 1
60 1 21 GLU HA 1 22 ILE H 3.700 . 4.500 3.418 3.402 3.484 . 0 0 "[ . 1 . 2]" 1
61 1 21 GLU QB 1 22 ILE H 3.300 . 4.100 3.218 3.029 3.257 . 0 0 "[ . 1 . 2]" 1
62 1 22 ILE H 1 22 ILE HB 2.300 . 3.600 2.719 2.610 2.810 . 0 0 "[ . 1 . 2]" 1
63 1 22 ILE H 1 22 ILE MG 2.900 . 3.700 2.204 2.060 2.268 . 0 0 "[ . 1 . 2]" 1
64 1 22 ILE H 1 23 ILE H 3.000 . 3.600 2.336 2.299 2.504 . 0 0 "[ . 1 . 2]" 1
65 1 20 ALA HA 1 23 ILE H 3.200 . 4.200 3.800 3.746 3.875 . 0 0 "[ . 1 . 2]" 1
66 1 21 GLU QB 1 23 ILE H 4.200 . 5.700 5.053 4.943 5.119 . 0 0 "[ . 1 . 2]" 1
67 1 22 ILE MG 1 23 ILE H 2.800 . 3.600 2.338 2.238 2.416 . 0 0 "[ . 1 . 2]" 1
68 1 23 ILE H 1 23 ILE HA 2.600 . 3.400 2.828 2.808 2.859 . 0 0 "[ . 1 . 2]" 1
69 1 23 ILE H 1 23 ILE HB 2.300 . 3.100 2.674 2.637 2.757 . 0 0 "[ . 1 . 2]" 1
70 1 23 ILE H 1 23 ILE QG 3.100 . 3.900 1.955 1.836 2.044 . 0 0 "[ . 1 . 2]" 1
71 1 23 ILE HA 1 24 ALA H 3.100 . 3.900 3.510 3.472 3.540 . 0 0 "[ . 1 . 2]" 1
72 1 24 ALA H 1 24 ALA MB 2.700 . 3.500 2.289 2.279 2.302 . 0 0 "[ . 1 . 2]" 1
73 1 24 ALA H 1 24 ALA HA 2.600 . 3.400 2.906 2.894 2.912 . 0 0 "[ . 1 . 2]" 1
74 1 24 ALA H 1 25 ASN H 2.700 . 3.500 2.412 2.350 2.466 . 0 0 "[ . 1 . 2]" 1
75 1 23 ILE HA 1 25 ASN H 3.700 . 4.500 4.117 4.057 4.336 . 0 0 "[ . 1 . 2]" 1
76 1 23 ILE HB 1 25 ASN H 3.900 2.300 5.200 4.954 4.828 5.206 0.006 6 0 "[ . 1 . 2]" 1
77 1 23 ILE MG 1 25 ASN H 4.500 2.300 6.000 4.968 4.880 5.170 . 0 0 "[ . 1 . 2]" 1
78 1 24 ALA HA 1 25 ASN H 3.200 . 4.000 3.401 3.371 3.490 . 0 0 "[ . 1 . 2]" 1
79 1 24 ALA MB 1 25 ASN H 3.200 . 4.200 3.134 2.927 3.201 . 0 0 "[ . 1 . 2]" 1
80 1 25 ASN H 1 25 ASN HA 2.900 . 3.700 2.950 2.936 2.954 . 0 0 "[ . 1 . 2]" 1
81 1 25 ASN H 1 25 ASN QB 3.000 . 3.800 2.490 2.318 3.039 . 0 0 "[ . 1 . 2]" 1
82 1 25 ASN H 1 25 ASN HD21 4.000 2.300 4.700 2.989 2.756 4.204 . 0 0 "[ . 1 . 2]" 1
83 1 25 ASN H 1 25 ASN HD22 4.400 2.300 4.900 4.354 4.176 4.422 . 0 0 "[ . 1 . 2]" 1
84 1 25 ASN H 1 26 LEU HA 5.200 . 6.000 4.777 4.701 4.950 . 0 0 "[ . 1 . 2]" 1
85 1 25 ASN H 1 26 LEU H 2.800 2.300 3.600 2.440 2.249 2.513 0.051 14 0 "[ . 1 . 2]" 1
86 1 25 ASN HA 1 25 ASN HD21 4.000 . 4.800 3.787 3.688 4.496 . 0 0 "[ . 1 . 2]" 1
87 1 25 ASN QB 1 25 ASN HD21 3.000 . 3.800 2.202 2.158 2.213 . 0 0 "[ . 1 . 2]" 1
88 1 24 ALA MB 1 25 ASN HD22 4.200 2.300 5.000 3.420 3.234 4.941 . 0 0 "[ . 1 . 2]" 1
89 1 25 ASN QB 1 25 ASN HD22 3.100 . 3.900 3.284 3.211 3.292 . 0 0 "[ . 1 . 2]" 1
90 1 22 ILE HA 1 26 LEU H 3.700 2.300 4.700 4.558 3.238 4.742 0.042 6 0 "[ . 1 . 2]" 1
91 1 24 ALA HA 1 26 LEU H 5.200 . 6.000 4.034 3.880 4.924 . 0 0 "[ . 1 . 2]" 1
92 1 25 ASN HA 1 26 LEU H 3.200 . 4.000 3.081 3.010 3.543 . 0 0 "[ . 1 . 2]" 1
93 1 25 ASN QB 1 26 LEU H 3.600 . 4.400 3.638 2.699 4.021 . 0 0 "[ . 1 . 2]" 1
94 1 26 LEU H 1 26 LEU HB3 2.600 . 3.400 2.783 2.498 2.872 . 0 0 "[ . 1 . 2]" 1
95 1 26 LEU H 1 26 LEU HB2 3.100 . 3.900 2.877 2.381 3.118 . 0 0 "[ . 1 . 2]" 1
96 1 26 LEU H 1 26 LEU MD2 3.900 2.300 5.200 4.462 4.232 4.591 . 0 0 "[ . 1 . 2]" 1
97 1 26 LEU HA 1 27 ASP H 2.500 . 3.300 2.219 2.194 2.236 . 0 0 "[ . 1 . 2]" 1
98 1 26 LEU HB3 1 27 ASP H 3.100 2.300 3.900 3.719 3.662 3.862 . 0 0 "[ . 1 . 2]" 1
99 1 27 ASP H 1 27 ASP HB3 2.600 . 3.900 3.728 3.691 3.771 . 0 0 "[ . 1 . 2]" 1
100 1 27 ASP H 1 27 ASP HB2 2.600 . 3.400 2.576 2.511 2.633 . 0 0 "[ . 1 . 2]" 1
101 1 27 ASP H 1 31 ILE MD 4.400 . 5.200 4.327 4.161 4.609 . 0 0 "[ . 1 . 2]" 1
102 1 27 ASP HA 1 29 THR H 3.900 . 4.700 3.595 3.535 3.739 . 0 0 "[ . 1 . 2]" 1
103 1 28 PRO QB 1 29 THR H 3.300 . 4.100 2.987 2.910 3.065 . 0 0 "[ . 1 . 2]" 1
104 1 28 PRO QG 1 29 THR H 4.400 2.300 5.200 4.004 3.943 4.059 . 0 0 "[ . 1 . 2]" 1
105 1 28 PRO QD 1 29 THR H 3.800 2.300 4.600 2.783 2.708 2.867 . 0 0 "[ . 1 . 2]" 1
106 1 29 THR H 1 29 THR HA 2.800 . 3.600 2.862 2.860 2.865 . 0 0 "[ . 1 . 2]" 1
107 1 29 THR H 1 29 THR HB 2.600 . 3.600 3.545 3.533 3.559 . 0 0 "[ . 1 . 2]" 1
108 1 29 THR H 1 29 THR MG 3.200 . 4.200 2.695 2.666 2.723 . 0 0 "[ . 1 . 2]" 1
109 1 29 THR H 1 30 LYS H 2.700 . 3.400 2.593 2.559 2.622 . 0 0 "[ . 1 . 2]" 1
110 1 29 THR H 1 31 ILE H 3.900 . 4.700 3.989 3.960 4.033 . 0 0 "[ . 1 . 2]" 1
111 1 27 ASP HB3 1 30 LYS H 3.700 . 4.500 2.760 2.626 2.889 . 0 0 "[ . 1 . 2]" 1
112 1 27 ASP HB2 1 30 LYS H 4.000 . 4.800 3.646 3.388 3.887 . 0 0 "[ . 1 . 2]" 1
113 1 27 ASP HA 1 30 LYS H 5.200 . 6.000 4.637 4.497 4.820 . 0 0 "[ . 1 . 2]" 1
114 1 29 THR HA 1 30 LYS H 3.400 . 4.200 3.553 3.543 3.559 . 0 0 "[ . 1 . 2]" 1
115 1 29 THR HB 1 30 LYS H 2.500 . 3.500 3.255 3.185 3.321 . 0 0 "[ . 1 . 2]" 1
116 1 29 THR MG 1 30 LYS H 4.100 . 4.900 4.025 3.988 4.059 . 0 0 "[ . 1 . 2]" 1
117 1 30 LYS H 1 30 LYS QB 2.800 . 3.600 2.144 2.069 2.195 . 0 0 "[ . 1 . 2]" 1
118 1 30 LYS H 1 30 LYS HG3 3.400 2.300 4.400 4.024 3.135 4.242 . 0 0 "[ . 1 . 2]" 1
119 1 30 LYS H 1 30 LYS HG2 3.400 2.300 4.700 4.417 2.831 4.575 . 0 0 "[ . 1 . 2]" 1
120 1 30 LYS H 1 31 ILE MD 5.000 2.300 6.300 5.456 5.382 5.533 . 0 0 "[ . 1 . 2]" 1
121 1 30 LYS H 1 31 ILE HA 5.200 . 6.000 5.243 5.212 5.304 . 0 0 "[ . 1 . 2]" 1
122 1 30 LYS H 1 32 LEU H 3.700 . 4.500 4.228 4.160 4.315 . 0 0 "[ . 1 . 2]" 1
123 1 26 LEU MD2 1 31 ILE H 4.400 2.300 5.700 5.674 5.435 5.719 0.019 9 0 "[ . 1 . 2]" 1
124 1 28 PRO HA 1 31 ILE H 3.700 . 4.500 3.829 3.794 3.899 . 0 0 "[ . 1 . 2]" 1
125 1 29 THR HA 1 31 ILE H 4.100 . 4.900 4.444 4.382 4.557 . 0 0 "[ . 1 . 2]" 1
126 1 29 THR HB 1 31 ILE H 4.000 2.300 5.300 5.340 5.314 5.365 0.065 1 0 "[ . 1 . 2]" 1
127 1 30 LYS QB 1 31 ILE H 3.400 . 4.200 2.891 2.815 2.996 . 0 0 "[ . 1 . 2]" 1
128 1 30 LYS H 1 31 ILE H 2.800 . 3.600 2.647 2.602 2.729 . 0 0 "[ . 1 . 2]" 1
129 1 31 ILE H 1 31 ILE HB 2.600 . 3.900 3.657 3.646 3.665 . 0 0 "[ . 1 . 2]" 1
130 1 31 ILE H 1 31 ILE MD 3.200 . 4.500 3.745 3.714 3.775 . 0 0 "[ . 1 . 2]" 1
131 1 31 ILE H 1 31 ILE QG 3.300 . 4.300 2.075 2.041 2.108 . 0 0 "[ . 1 . 2]" 1
132 1 31 ILE H 1 32 LEU H 2.900 . 3.700 2.408 2.364 2.482 . 0 0 "[ . 1 . 2]" 1
133 1 31 ILE HB 1 32 LEU H 2.600 . 3.900 3.757 3.703 3.805 . 0 0 "[ . 1 . 2]" 1
134 1 32 LEU H 1 32 LEU QD 3.300 2.300 4.300 3.388 2.726 3.614 . 0 0 "[ . 1 . 2]" 1
135 1 30 LYS HA 1 33 GLU H 3.200 . 4.400 4.094 3.977 4.254 . 0 0 "[ . 1 . 2]" 1
136 1 31 ILE HA 1 33 GLU H 5.200 . 6.000 4.195 4.013 4.385 . 0 0 "[ . 1 . 2]" 1
137 1 31 ILE QG 1 33 GLU H 4.000 2.300 5.300 4.449 4.376 4.575 . 0 0 "[ . 1 . 2]" 1
138 1 31 ILE H 1 33 GLU H 4.100 . 4.900 4.099 4.015 4.217 . 0 0 "[ . 1 . 2]" 1
139 1 32 LEU QD 1 33 GLU H 3.800 2.300 5.000 4.131 4.043 4.230 . 0 0 "[ . 1 . 2]" 1
140 1 33 GLU H 1 33 GLU HA 2.500 . 3.300 2.823 2.803 2.843 . 0 0 "[ . 1 . 2]" 1
141 1 33 GLU H 1 34 GLU H 2.700 . 3.500 2.678 2.579 2.764 . 0 0 "[ . 1 . 2]" 1
142 1 31 ILE HA 1 34 GLU H 3.300 . 4.100 3.623 3.387 3.940 . 0 0 "[ . 1 . 2]" 1
143 1 34 GLU H 1 34 GLU QB 2.500 . 3.300 2.254 2.127 2.328 . 0 0 "[ . 1 . 2]" 1
144 1 33 GLU HA 1 36 LEU H 2.700 . 4.000 3.724 3.535 3.891 . 0 0 "[ . 1 . 2]" 1
145 1 34 GLU H 1 36 LEU H 4.000 . 4.800 4.180 3.894 4.369 . 0 0 "[ . 1 . 2]" 1
146 1 36 LEU H 1 36 LEU HA 2.600 . 3.400 2.851 2.825 2.860 . 0 0 "[ . 1 . 2]" 1
147 1 36 LEU H 1 36 LEU QB 2.600 . 3.400 2.265 2.063 2.355 . 0 0 "[ . 1 . 2]" 1
148 1 36 LEU H 1 37 ARG H 2.600 . 3.400 2.532 2.504 2.619 . 0 0 "[ . 1 . 2]" 1
149 1 36 LEU H 1 41 LEU HB2 3.400 2.300 4.200 4.133 3.947 4.239 0.039 12 0 "[ . 1 . 2]" 1
150 1 36 LEU MD1 1 37 ARG H 3.900 2.300 4.900 4.611 4.531 4.842 . 0 0 "[ . 1 . 2]" 1
151 1 37 ARG H 1 37 ARG HA 2.300 . 3.100 2.844 2.800 2.868 . 0 0 "[ . 1 . 2]" 1
152 1 37 ARG H 1 37 ARG QB 2.500 . 3.300 2.237 2.119 2.329 . 0 0 "[ . 1 . 2]" 1
153 1 37 ARG H 1 37 ARG QD 4.200 . 5.000 4.005 3.641 4.524 . 0 0 "[ . 1 . 2]" 1
154 1 35 LEU HA 1 38 ARG H 3.700 . 4.500 3.725 3.460 3.990 . 0 0 "[ . 1 . 2]" 1
155 1 35 LEU HB2 1 38 ARG H 5.200 . 6.200 5.764 5.646 6.085 . 0 0 "[ . 1 . 2]" 1
156 1 36 LEU H 1 38 ARG H 5.200 . 6.000 4.116 3.973 4.359 . 0 0 "[ . 1 . 2]" 1
157 1 37 ARG HA 1 38 ARG H 3.000 . 3.800 3.462 3.397 3.530 . 0 0 "[ . 1 . 2]" 1
158 1 37 ARG H 1 38 ARG H 2.900 . 3.700 2.569 2.466 2.743 . 0 0 "[ . 1 . 2]" 1
159 1 38 ARG H 1 38 ARG HB3 3.100 . 3.900 3.573 3.055 3.655 . 0 0 "[ . 1 . 2]" 1
160 1 38 ARG H 1 38 ARG QD 4.400 . 5.200 4.220 3.865 4.351 . 0 0 "[ . 1 . 2]" 1
161 1 38 ARG H 1 38 ARG HG2 2.500 . 3.500 3.216 2.015 3.524 0.024 9 0 "[ . 1 . 2]" 1
162 1 38 ARG H 1 39 GLY H 2.700 . 3.200 2.257 2.086 2.344 . 0 0 "[ . 1 . 2]" 1
163 1 38 ARG H 1 40 LEU QD 4.500 . 6.000 5.498 5.395 5.592 . 0 0 "[ . 1 . 2]" 1
164 1 38 ARG HA 1 39 GLY H 3.000 . 3.800 3.364 3.350 3.371 . 0 0 "[ . 1 . 2]" 1
165 1 38 ARG HB3 1 39 GLY H 3.800 . 4.600 4.127 4.044 4.350 . 0 0 "[ . 1 . 2]" 1
166 1 36 LEU MD2 1 39 GLY H 4.300 2.300 5.600 4.910 4.567 5.159 . 0 0 "[ . 1 . 2]" 1
167 1 36 LEU H 1 40 LEU H 5.200 . 6.000 5.156 4.893 5.423 . 0 0 "[ . 1 . 2]" 1
168 1 38 ARG HB3 1 40 LEU H 3.800 . 4.600 4.367 4.053 4.673 0.073 4 0 "[ . 1 . 2]" 1
169 1 38 ARG QD 1 40 LEU H 5.200 . 6.000 5.393 3.925 5.985 . 0 0 "[ . 1 . 2]" 1
170 1 39 GLY QA 1 40 LEU H 3.100 . 3.900 2.801 2.744 2.912 . 0 0 "[ . 1 . 2]" 1
171 1 40 LEU H 1 40 LEU HA 2.800 . 3.600 2.922 2.888 2.936 . 0 0 "[ . 1 . 2]" 1
172 1 40 LEU H 1 40 LEU QB 2.700 . 3.500 2.328 2.281 2.363 . 0 0 "[ . 1 . 2]" 1
173 1 40 LEU H 1 40 LEU QD 3.500 2.300 4.800 3.806 3.783 3.832 . 0 0 "[ . 1 . 2]" 1
174 1 40 LEU H 1 41 LEU H 2.900 2.300 3.500 2.299 2.273 2.488 0.027 2 0 "[ . 1 . 2]" 1
175 1 36 LEU HA 1 41 LEU H 2.900 2.300 3.700 3.123 2.865 3.346 . 0 0 "[ . 1 . 2]" 1
176 1 40 LEU QB 1 41 LEU H 3.200 . 4.000 3.176 2.986 3.326 . 0 0 "[ . 1 . 2]" 1
177 1 40 LEU QD 1 41 LEU H 3.000 . 4.300 3.940 3.777 4.091 . 0 0 "[ . 1 . 2]" 1
178 1 41 LEU H 1 41 LEU HA 2.700 . 3.500 2.935 2.931 2.940 . 0 0 "[ . 1 . 2]" 1
179 1 41 LEU H 1 42 THR H 3.800 . 4.600 4.473 4.460 4.498 . 0 0 "[ . 1 . 2]" 1
180 1 40 LEU MD2 1 42 THR H 3.700 2.300 5.000 5.110 5.090 5.131 0.131 4 0 "[ . 1 . 2]" 1
181 1 41 LEU HG 1 42 THR H 3.400 2.300 4.400 3.478 3.170 3.717 . 0 0 "[ . 1 . 2]" 1
182 1 41 LEU HA 1 42 THR H 2.700 2.300 3.500 2.202 2.184 2.221 0.116 19 0 "[ . 1 . 2]" 1
183 1 42 THR H 1 42 THR MG 3.300 2.300 4.100 2.730 2.663 2.793 . 0 0 "[ . 1 . 2]" 1
184 1 42 THR H 1 43 PRO QD 3.500 . 4.800 4.394 4.370 4.407 . 0 0 "[ . 1 . 2]" 1
185 1 42 THR H 1 45 GLU H 4.100 2.300 4.900 4.213 3.932 4.760 . 0 0 "[ . 1 . 2]" 1
186 1 42 THR H 1 45 GLU HB3 3.400 2.300 4.400 4.433 4.281 4.458 0.058 2 0 "[ . 1 . 2]" 1
187 1 42 THR H 1 46 LEU H 4.000 . 4.800 4.404 4.258 4.773 . 0 0 "[ . 1 . 2]" 1
188 1 42 THR HB 1 44 ALA H 3.400 2.300 4.200 2.639 2.559 2.782 . 0 0 "[ . 1 . 2]" 1
189 1 43 PRO HB3 1 44 ALA H 3.000 . 4.300 4.217 4.128 4.267 . 0 0 "[ . 1 . 2]" 1
190 1 43 PRO HB2 1 44 ALA H 2.500 . 3.800 3.259 2.860 3.498 . 0 0 "[ . 1 . 2]" 1
191 1 43 PRO QD 1 44 ALA H 3.400 . 4.200 2.726 2.391 2.941 . 0 0 "[ . 1 . 2]" 1
192 1 44 ALA H 1 44 ALA HA 2.400 . 3.200 2.845 2.833 2.855 . 0 0 "[ . 1 . 2]" 1
193 1 44 ALA H 1 44 ALA MB 2.500 . 3.300 2.237 2.233 2.240 . 0 0 "[ . 1 . 2]" 1
194 1 44 ALA H 1 45 GLU H 2.600 . 3.400 2.594 2.554 2.690 . 0 0 "[ . 1 . 2]" 1
195 1 42 THR HA 1 45 GLU H 4.200 . 5.000 4.860 4.791 5.002 0.002 19 0 "[ . 1 . 2]" 1
196 1 42 THR HB 1 45 GLU H 3.900 . 4.700 3.425 3.121 3.740 . 0 0 "[ . 1 . 2]" 1
197 1 44 ALA HA 1 45 GLU H 3.200 . 4.000 3.539 3.519 3.558 . 0 0 "[ . 1 . 2]" 1
198 1 44 ALA MB 1 45 GLU H 2.800 . 3.800 2.475 2.397 2.558 . 0 0 "[ . 1 . 2]" 1
199 1 45 GLU H 1 45 GLU HA 2.800 . 3.600 2.859 2.842 2.867 . 0 0 "[ . 1 . 2]" 1
200 1 45 GLU H 1 45 GLU HB3 2.600 . 3.600 3.514 2.912 3.577 . 0 0 "[ . 1 . 2]" 1
201 1 43 PRO HA 1 46 LEU H 3.000 . 3.800 3.478 3.377 3.533 . 0 0 "[ . 1 . 2]" 1
202 1 43 PRO HB3 1 46 LEU H 4.400 2.300 5.700 5.623 5.478 5.697 . 0 0 "[ . 1 . 2]" 1
203 1 45 GLU HA 1 46 LEU H 2.900 2.300 3.700 3.492 3.472 3.513 . 0 0 "[ . 1 . 2]" 1
204 1 45 GLU H 1 46 LEU H 2.600 . 3.400 2.446 2.391 2.526 . 0 0 "[ . 1 . 2]" 1
205 1 46 LEU H 1 46 LEU HB2 2.300 . 3.100 2.272 2.114 2.434 . 0 0 "[ . 1 . 2]" 1
206 1 44 ALA HA 1 47 GLN H 2.900 2.300 4.200 3.875 3.746 4.063 . 0 0 "[ . 1 . 2]" 1
207 1 46 LEU HB2 1 47 GLN H 2.500 . 3.700 3.529 3.311 3.678 . 0 0 "[ . 1 . 2]" 1
208 1 47 GLN H 1 47 GLN HA 2.300 . 3.100 2.778 2.742 2.813 . 0 0 "[ . 1 . 2]" 1
209 1 47 GLN H 1 47 GLN QB 2.300 . 3.100 2.165 2.015 2.306 . 0 0 "[ . 1 . 2]" 1
210 1 47 GLN H 1 47 GLN QG 3.000 . 3.800 3.166 2.458 3.957 0.157 7 0 "[ . 1 . 2]" 1
211 1 47 GLN QB 1 47 GLN HE21 3.900 . 4.700 3.531 3.461 3.606 . 0 0 "[ . 1 . 2]" 1
212 1 47 GLN HE21 1 47 GLN HG3 2.800 2.300 3.600 2.908 2.234 3.462 0.066 11 0 "[ . 1 . 2]" 1
213 1 47 GLN HA 1 47 GLN HE21 4.000 2.300 5.300 2.297 2.279 2.317 0.021 8 0 "[ . 1 . 2]" 1
214 1 47 GLN HE21 1 50 LEU MD1 4.700 2.300 5.700 5.108 3.777 5.495 . 0 0 "[ . 1 . 2]" 1
215 1 47 GLN HE21 1 50 LEU HB2 4.300 2.300 5.600 4.749 4.431 5.032 . 0 0 "[ . 1 . 2]" 1
216 1 47 GLN HE21 1 50 LEU HB3 4.100 2.300 5.400 3.491 3.387 3.620 . 0 0 "[ . 1 . 2]" 1
217 1 47 GLN HE21 1 51 ASP QB 4.900 2.300 6.200 5.076 4.303 5.718 . 0 0 "[ . 1 . 2]" 1
218 1 47 GLN HE21 1 51 ASP HA 5.700 2.300 6.500 5.644 4.929 6.290 . 0 0 "[ . 1 . 2]" 1
219 1 47 GLN QB 1 47 GLN HE22 4.400 . 5.200 4.036 3.962 4.107 . 0 0 "[ . 1 . 2]" 1
220 1 47 GLN HE22 1 47 GLN HG3 2.600 . 4.100 3.798 3.491 4.050 . 0 0 "[ . 1 . 2]" 1
221 1 47 GLN HA 1 47 GLN HE22 4.200 2.300 5.000 3.436 3.339 3.552 . 0 0 "[ . 1 . 2]" 1
222 1 47 GLN HE22 1 50 LEU MD1 4.400 2.300 5.700 5.564 4.431 5.704 0.004 5 0 "[ . 1 . 2]" 1
223 1 47 GLN HE22 1 50 LEU HB2 4.500 . 5.800 5.687 5.639 5.745 . 0 0 "[ . 1 . 2]" 1
224 1 47 GLN HE22 1 50 LEU HB3 4.000 2.300 5.000 4.387 4.258 4.487 . 0 0 "[ . 1 . 2]" 1
225 1 47 GLN HE22 1 51 ASP QB 5.700 2.300 6.700 5.804 5.281 6.491 . 0 0 "[ . 1 . 2]" 1
226 1 47 GLN HE22 1 51 ASP HA 5.700 2.300 6.500 6.151 5.717 6.511 0.011 11 0 "[ . 1 . 2]" 1
227 1 45 GLU HA 1 48 GLU H 3.000 . 4.200 3.706 3.467 3.866 . 0 0 "[ . 1 . 2]" 1
228 1 47 GLN HA 1 48 GLU H 3.000 . 4.200 3.466 3.444 3.500 . 0 0 "[ . 1 . 2]" 1
229 1 46 LEU QD 1 48 GLU H 4.300 2.300 5.600 4.757 4.599 5.189 . 0 0 "[ . 1 . 2]" 1
230 1 46 LEU HB2 1 48 GLU H 4.000 2.300 5.300 5.366 5.304 5.410 0.110 7 0 "[ . 1 . 2]" 1
231 1 48 GLU H 1 48 GLU HB3 2.600 2.300 3.400 3.164 2.814 3.483 0.083 10 0 "[ . 1 . 2]" 1
232 1 47 GLN H 1 48 GLU H 2.400 . 3.200 2.753 2.660 2.875 . 0 0 "[ . 1 . 2]" 1
233 1 48 GLU H 1 48 GLU HA 2.300 . 3.100 2.869 2.859 2.877 . 0 0 "[ . 1 . 2]" 1
234 1 48 GLU H 1 48 GLU QG 3.600 2.300 4.400 3.462 2.810 4.060 . 0 0 "[ . 1 . 2]" 1
235 1 48 GLU H 1 49 VAL MG1 3.900 . 4.700 3.749 3.637 3.848 . 0 0 "[ . 1 . 2]" 1
236 1 48 GLU H 1 50 LEU H 3.800 . 4.600 3.665 3.604 3.728 . 0 0 "[ . 1 . 2]" 1
237 1 48 GLU HA 1 49 VAL H 3.200 . 4.000 3.579 3.572 3.587 . 0 0 "[ . 1 . 2]" 1
238 1 48 GLU QG 1 49 VAL H 4.200 . 5.000 4.062 3.832 4.317 . 0 0 "[ . 1 . 2]" 1
239 1 49 VAL H 1 49 VAL HA 2.600 . 3.400 2.856 2.827 2.865 . 0 0 "[ . 1 . 2]" 1
240 1 49 VAL H 1 49 VAL HB 2.200 . 3.000 2.687 2.641 2.750 . 0 0 "[ . 1 . 2]" 1
241 1 49 VAL H 1 49 VAL MG1 2.700 . 3.500 1.928 1.818 2.004 . 0 0 "[ . 1 . 2]" 1
242 1 49 VAL H 1 49 VAL MG2 3.000 . 4.300 3.795 3.786 3.805 . 0 0 "[ . 1 . 2]" 1
243 1 49 VAL H 1 50 LEU HB3 3.600 2.300 5.100 5.024 4.957 5.105 0.005 7 0 "[ . 1 . 2]" 1
244 1 49 VAL H 1 50 LEU HB2 4.000 2.300 5.300 4.704 4.643 4.751 . 0 0 "[ . 1 . 2]" 1
245 1 49 VAL H 1 50 LEU H 2.500 . 3.200 2.539 2.508 2.603 . 0 0 "[ . 1 . 2]" 1
246 1 49 VAL H 1 65 PHE QE 4.000 2.300 4.800 4.175 3.581 4.740 . 0 0 "[ . 1 . 2]" 1
247 1 47 GLN HA 1 50 LEU H 2.700 . 3.900 3.713 3.608 3.815 . 0 0 "[ . 1 . 2]" 1
248 1 49 VAL HB 1 50 LEU H 2.600 . 4.600 4.187 4.142 4.247 . 0 0 "[ . 1 . 2]" 1
249 1 50 LEU H 1 50 LEU HA 2.700 . 3.500 2.879 2.874 2.883 . 0 0 "[ . 1 . 2]" 1
250 1 50 LEU H 1 50 LEU HB3 2.200 . 3.000 2.659 2.598 2.716 . 0 0 "[ . 1 . 2]" 1
251 1 50 LEU H 1 50 LEU HB2 2.600 . 3.400 2.463 2.397 2.505 . 0 0 "[ . 1 . 2]" 1
252 1 50 LEU H 1 50 LEU MD1 3.300 2.300 4.600 4.061 3.987 4.172 . 0 0 "[ . 1 . 2]" 1
253 1 50 LEU H 1 51 ASP HA 5.200 . 6.000 5.019 4.984 5.060 . 0 0 "[ . 1 . 2]" 1
254 1 50 LEU H 1 51 ASP QB 4.200 . 5.000 4.129 4.072 4.199 . 0 0 "[ . 1 . 2]" 1
255 1 50 LEU H 1 51 ASP H 2.600 . 3.400 2.402 2.353 2.449 . 0 0 "[ . 1 . 2]" 1
256 1 47 GLN QG 1 51 ASP H 4.500 2.300 6.000 5.554 4.843 6.057 0.057 19 0 "[ . 1 . 2]" 1
257 1 48 GLU HA 1 51 ASP H 2.900 . 4.200 3.750 3.458 3.939 . 0 0 "[ . 1 . 2]" 1
258 1 51 ASP H 1 51 ASP HA 2.400 . 3.200 2.856 2.812 2.895 . 0 0 "[ . 1 . 2]" 1
259 1 51 ASP H 1 51 ASP QB 2.500 . 3.300 2.207 2.165 2.261 . 0 0 "[ . 1 . 2]" 1
260 1 51 ASP H 1 52 LEU H 2.400 . 3.200 2.565 2.391 2.779 . 0 0 "[ . 1 . 2]" 1
261 1 49 VAL HA 1 52 LEU H 3.400 . 4.400 3.486 3.399 3.733 . 0 0 "[ . 1 . 2]" 1
262 1 50 LEU HA 1 52 LEU H 3.300 . 4.600 4.467 4.357 4.563 . 0 0 "[ . 1 . 2]" 1
263 1 50 LEU H 1 52 LEU H 3.900 . 5.200 4.259 4.186 4.495 . 0 0 "[ . 1 . 2]" 1
264 1 51 ASP HA 1 52 LEU H 3.000 2.300 3.800 3.567 3.556 3.583 . 0 0 "[ . 1 . 2]" 1
265 1 51 ASP QB 1 52 LEU H 3.200 . 4.200 2.544 2.314 2.833 . 0 0 "[ . 1 . 2]" 1
266 1 52 LEU H 1 52 LEU QD 3.300 . 4.600 2.707 1.728 2.817 0.072 7 0 "[ . 1 . 2]" 1
267 1 52 LEU H 1 52 LEU HB3 2.000 . 3.300 3.046 2.936 3.396 0.096 5 0 "[ . 1 . 2]" 1
268 1 52 LEU H 1 52 LEU HB2 2.700 . 3.700 3.570 3.266 3.604 . 0 0 "[ . 1 . 2]" 1
269 1 52 LEU H 1 53 LYS H 4.100 2.300 5.100 4.603 4.461 4.646 . 0 0 "[ . 1 . 2]" 1
270 1 52 LEU H 1 58 GLN HE21 4.200 2.300 5.500 4.616 4.481 4.740 . 0 0 "[ . 1 . 2]" 1
271 1 52 LEU H 1 58 GLN HE22 4.200 . 5.500 5.539 5.513 5.553 0.053 1 0 "[ . 1 . 2]" 1
272 1 52 LEU HA 1 53 LYS H 2.100 . 2.900 2.196 2.097 2.253 . 0 0 "[ . 1 . 2]" 1
273 1 52 LEU HB2 1 53 LYS H 2.800 . 3.800 2.931 2.675 3.422 . 0 0 "[ . 1 . 2]" 1
274 1 52 LEU MD1 1 53 LYS H 3.600 2.300 4.900 4.133 3.822 4.827 . 0 0 "[ . 1 . 2]" 1
275 1 53 LYS H 1 53 LYS HA 2.500 . 3.500 2.939 2.907 2.945 . 0 0 "[ . 1 . 2]" 1
276 1 53 LYS H 1 53 LYS QB 2.700 . 3.500 2.371 2.279 2.414 . 0 0 "[ . 1 . 2]" 1
277 1 53 LYS H 1 54 THR H 2.600 . 3.400 2.271 2.076 2.585 . 0 0 "[ . 1 . 2]" 1
278 1 53 LYS H 1 58 GLN HE21 5.200 . 6.200 6.109 5.869 6.181 . 0 0 "[ . 1 . 2]" 1
279 1 52 LEU HA 1 54 THR H 3.500 . 4.800 3.652 3.533 3.979 . 0 0 "[ . 1 . 2]" 1
280 1 52 LEU HB3 1 54 THR H 2.500 . 3.800 3.834 3.619 3.877 0.077 18 0 "[ . 1 . 2]" 1
281 1 52 LEU QD 1 54 THR H 4.400 2.300 5.700 3.064 2.702 4.393 . 0 0 "[ . 1 . 2]" 1
282 1 53 LYS HA 1 54 THR H 2.900 . 3.700 3.158 3.120 3.476 . 0 0 "[ . 1 . 2]" 1
283 1 54 THR H 1 54 THR HA 2.900 . 3.700 2.903 2.880 2.922 . 0 0 "[ . 1 . 2]" 1
284 1 54 THR H 1 54 THR HB 3.600 . 4.400 3.548 3.505 3.622 . 0 0 "[ . 1 . 2]" 1
285 1 54 THR H 1 54 THR MG 3.500 2.300 4.300 2.853 2.707 2.947 . 0 0 "[ . 1 . 2]" 1
286 1 54 THR H 1 55 PRO QD 4.200 2.300 5.200 4.142 4.057 4.353 . 0 0 "[ . 1 . 2]" 1
287 1 54 THR H 1 58 GLN H 3.900 . 5.200 4.974 4.884 5.118 . 0 0 "[ . 1 . 2]" 1
288 1 54 THR H 1 58 GLN HG2 3.800 . 4.600 4.253 4.089 4.649 0.049 5 0 "[ . 1 . 2]" 1
289 1 54 THR HA 1 56 GLU H 3.600 . 4.400 3.936 3.830 4.061 . 0 0 "[ . 1 . 2]" 1
290 1 54 THR HB 1 56 GLU H 3.300 2.300 4.100 3.199 2.568 3.410 . 0 0 "[ . 1 . 2]" 1
291 1 54 THR MG 1 56 GLU H 3.900 . 4.900 4.303 4.134 4.373 . 0 0 "[ . 1 . 2]" 1
292 1 55 PRO HA 1 56 GLU H 3.500 . 4.300 3.545 3.481 3.561 . 0 0 "[ . 1 . 2]" 1
293 1 56 GLU H 1 56 GLU HB2 2.300 . 3.100 2.341 2.318 2.436 . 0 0 "[ . 1 . 2]" 1
294 1 56 GLU H 1 57 GLU H 2.800 . 3.600 2.642 2.601 2.813 . 0 0 "[ . 1 . 2]" 1
295 1 56 GLU H 1 58 GLN H 4.100 . 4.900 3.987 3.877 4.054 . 0 0 "[ . 1 . 2]" 1
296 1 56 GLU H 1 59 ALA H 4.500 2.300 5.300 5.130 5.031 5.241 . 0 0 "[ . 1 . 2]" 1
297 1 52 LEU HB2 1 57 GLU H 4.000 2.300 5.500 5.390 4.813 5.505 0.005 11 0 "[ . 1 . 2]" 1
298 1 52 LEU MD2 1 57 GLU H 4.500 2.300 5.500 5.257 4.556 5.509 0.009 5 0 "[ . 1 . 2]" 1
299 1 54 THR HB 1 57 GLU H 3.900 . 4.700 2.590 2.432 3.534 . 0 0 "[ . 1 . 2]" 1
300 1 54 THR HA 1 57 GLU H 5.200 . 6.000 4.516 4.415 5.243 . 0 0 "[ . 1 . 2]" 1
301 1 55 PRO HA 1 57 GLU H 5.200 . 6.000 4.455 4.366 4.676 . 0 0 "[ . 1 . 2]" 1
302 1 56 GLU HB2 1 57 GLU H 2.900 . 3.700 2.684 2.517 2.784 . 0 0 "[ . 1 . 2]" 1
303 1 57 GLU H 1 57 GLU HA 2.600 . 3.400 2.855 2.849 2.860 . 0 0 "[ . 1 . 2]" 1
304 1 57 GLU H 1 57 GLU QB 2.700 . 3.500 2.245 2.165 2.840 . 0 0 "[ . 1 . 2]" 1
305 1 57 GLU H 1 58 GLN H 2.700 . 3.400 2.515 2.501 2.531 . 0 0 "[ . 1 . 2]" 1
306 1 57 GLU H 1 59 ALA H 4.200 . 5.000 4.457 4.346 4.600 . 0 0 "[ . 1 . 2]" 1
307 1 52 LEU QD 1 58 GLN H 4.000 . 5.300 3.041 2.814 3.927 . 0 0 "[ . 1 . 2]" 1
308 1 55 PRO HA 1 58 GLN H 3.200 . 4.000 3.452 3.415 3.477 . 0 0 "[ . 1 . 2]" 1
309 1 56 GLU HB2 1 58 GLN H 3.900 2.300 5.200 4.962 4.764 5.069 . 0 0 "[ . 1 . 2]" 1
310 1 57 GLU QG 1 58 GLN H 3.500 2.300 4.800 4.127 2.566 4.329 . 0 0 "[ . 1 . 2]" 1
311 1 58 GLN H 1 58 GLN HA 2.800 . 3.600 2.798 2.765 2.810 . 0 0 "[ . 1 . 2]" 1
312 1 58 GLN H 1 58 GLN HB2 2.800 . 3.600 2.467 2.420 2.526 . 0 0 "[ . 1 . 2]" 1
313 1 58 GLN H 1 58 GLN HG2 2.600 . 3.400 2.671 2.372 2.789 . 0 0 "[ . 1 . 2]" 1
314 1 58 GLN H 1 58 GLN HE21 4.600 2.300 5.900 4.721 4.115 4.867 . 0 0 "[ . 1 . 2]" 1
315 1 58 GLN H 1 58 GLN HE22 5.200 . 6.000 5.990 5.572 6.054 0.054 5 0 "[ . 1 . 2]" 1
316 1 58 GLN H 1 59 ALA H 2.800 . 3.400 2.823 2.773 2.935 . 0 0 "[ . 1 . 2]" 1
317 1 50 LEU HA 1 58 GLN HE21 3.600 2.300 4.900 3.660 3.492 3.745 . 0 0 "[ . 1 . 2]" 1
318 1 50 LEU HB2 1 58 GLN HE21 4.500 . 5.800 5.824 5.794 5.873 0.073 7 0 "[ . 1 . 2]" 1
319 1 52 LEU MD2 1 58 GLN HE21 4.200 2.300 5.700 4.343 2.837 4.920 . 0 0 "[ . 1 . 2]" 1
320 1 57 GLU QG 1 58 GLN HE21 4.800 2.300 6.000 5.992 5.197 6.074 0.074 7 0 "[ . 1 . 2]" 1
321 1 58 GLN HE21 1 58 GLN HG3 2.900 . 3.900 3.373 3.328 3.455 . 0 0 "[ . 1 . 2]" 1
322 1 50 LEU HA 1 58 GLN HE22 3.300 . 4.600 3.123 2.812 3.326 . 0 0 "[ . 1 . 2]" 1
323 1 50 LEU MD1 1 58 GLN HE22 4.500 2.300 5.500 3.961 3.649 5.215 . 0 0 "[ . 1 . 2]" 1
324 1 58 GLN HE22 1 58 GLN HG3 3.200 . 4.200 3.999 3.975 4.037 . 0 0 "[ . 1 . 2]" 1
325 1 26 LEU MD2 1 59 ALA H 3.800 2.300 5.100 5.082 4.881 5.140 0.040 9 0 "[ . 1 . 2]" 1
326 1 55 PRO HA 1 59 ALA H 3.400 . 4.400 4.260 4.030 4.362 . 0 0 "[ . 1 . 2]" 1
327 1 58 GLN HB3 1 59 ALA H 2.600 . 3.400 3.380 3.264 3.426 0.026 17 0 "[ . 1 . 2]" 1
328 1 58 GLN HG2 1 59 ALA H 3.800 2.300 4.800 4.573 4.446 4.687 . 0 0 "[ . 1 . 2]" 1
329 1 59 ALA H 1 59 ALA HA 2.300 . 3.100 2.825 2.807 2.842 . 0 0 "[ . 1 . 2]" 1
330 1 59 ALA H 1 59 ALA MB 2.600 . 3.400 2.235 2.226 2.254 . 0 0 "[ . 1 . 2]" 1
331 1 59 ALA H 1 60 LYS H 2.400 . 3.200 2.614 2.552 2.667 . 0 0 "[ . 1 . 2]" 1
332 1 60 LYS H 1 60 LYS HA 2.500 . 3.300 2.826 2.796 2.855 . 0 0 "[ . 1 . 2]" 1
333 1 60 LYS H 1 60 LYS QB 2.700 . 3.700 2.202 2.107 2.282 . 0 0 "[ . 1 . 2]" 1
334 1 60 LYS H 1 60 LYS QD 3.300 2.300 4.600 4.040 3.725 4.524 . 0 0 "[ . 1 . 2]" 1
335 1 60 LYS H 1 60 LYS QG 3.400 2.300 4.700 3.083 2.492 3.874 . 0 0 "[ . 1 . 2]" 1
336 1 60 LYS H 1 62 LEU H 3.700 . 5.000 4.167 3.855 4.448 . 0 0 "[ . 1 . 2]" 1
337 1 61 LYS H 1 61 LYS HA 2.300 . 3.100 2.835 2.817 2.851 . 0 0 "[ . 1 . 2]" 1
338 1 61 LYS H 1 61 LYS HE3 4.100 2.300 5.400 5.305 5.176 5.413 0.013 20 0 "[ . 1 . 2]" 1
339 1 61 LYS H 1 62 LEU H 2.500 . 3.200 2.587 2.456 2.706 . 0 0 "[ . 1 . 2]" 1
340 1 62 LEU H 1 62 LEU HA 2.400 . 3.200 2.832 2.813 2.861 . 0 0 "[ . 1 . 2]" 1
341 1 62 LEU H 1 62 LEU HB3 2.300 . 3.100 2.784 2.675 2.907 . 0 0 "[ . 1 . 2]" 1
342 1 62 LEU H 1 62 LEU MD1 3.400 2.300 4.400 3.850 3.776 3.992 . 0 0 "[ . 1 . 2]" 1
343 1 62 LEU H 1 63 ILE H 2.500 . 3.300 2.690 2.560 2.798 . 0 0 "[ . 1 . 2]" 1
344 1 62 LEU H 1 64 ASP HB3 5.200 . 6.200 6.060 5.453 6.234 0.034 8 0 "[ . 1 . 2]" 1
345 1 60 LYS HA 1 63 ILE H 2.900 . 3.700 3.600 3.438 3.723 0.023 7 0 "[ . 1 . 2]" 1
346 1 62 LEU HB2 1 63 ILE H 2.800 . 3.800 3.564 3.476 3.638 . 0 0 "[ . 1 . 2]" 1
347 1 63 ILE H 1 63 ILE HA 2.900 . 3.700 2.822 2.810 2.833 . 0 0 "[ . 1 . 2]" 1
348 1 63 ILE H 1 63 ILE HB 2.300 . 3.600 2.833 2.566 3.557 . 0 0 "[ . 1 . 2]" 1
349 1 63 ILE H 1 63 ILE HG13 2.600 . 3.400 2.008 1.831 2.087 . 0 0 "[ . 1 . 2]" 1
350 1 63 ILE H 1 63 ILE MG 3.000 . 4.300 3.560 2.830 3.782 . 0 0 "[ . 1 . 2]" 1
351 1 61 LYS HA 1 64 ASP H 3.000 . 3.800 3.557 3.389 3.710 . 0 0 "[ . 1 . 2]" 1
352 1 63 ILE HA 1 64 ASP H 3.600 . 4.400 3.472 3.445 3.507 . 0 0 "[ . 1 . 2]" 1
353 1 63 ILE HB 1 64 ASP H 2.900 . 4.200 3.034 2.767 3.530 . 0 0 "[ . 1 . 2]" 1
354 1 63 ILE HG13 1 64 ASP H 3.600 . 4.400 3.748 2.267 4.285 . 0 0 "[ . 1 . 2]" 1
355 1 63 ILE MG 1 64 ASP H 3.500 . 4.300 3.858 3.661 4.243 . 0 0 "[ . 1 . 2]" 1
356 1 64 ASP H 1 64 ASP HA 2.700 . 3.500 2.869 2.852 2.877 . 0 0 "[ . 1 . 2]" 1
357 1 64 ASP H 1 64 ASP HB3 2.500 . 3.500 3.299 2.859 3.454 . 0 0 "[ . 1 . 2]" 1
358 1 64 ASP H 1 64 ASP HB2 2.700 . 3.500 2.152 2.098 2.280 . 0 0 "[ . 1 . 2]" 1
359 1 64 ASP H 1 65 PHE QB 5.200 . 6.000 4.230 4.016 4.438 . 0 0 "[ . 1 . 2]" 1
360 1 62 LEU HA 1 65 PHE H 2.900 . 3.700 3.278 3.186 3.374 . 0 0 "[ . 1 . 2]" 1
361 1 62 LEU HB3 1 65 PHE H 3.800 2.300 5.100 5.091 5.028 5.133 0.033 5 0 "[ . 1 . 2]" 1
362 1 62 LEU HB2 1 65 PHE H 4.100 2.300 5.400 5.484 5.439 5.535 0.135 4 0 "[ . 1 . 2]" 1
363 1 63 ILE HA 1 65 PHE H 4.000 . 4.800 3.963 3.809 4.081 . 0 0 "[ . 1 . 2]" 1
364 1 64 ASP HA 1 65 PHE H 3.300 . 4.100 3.448 3.405 3.488 . 0 0 "[ . 1 . 2]" 1
365 1 64 ASP HB3 1 65 PHE H 2.900 . 3.700 3.503 2.989 3.718 0.018 9 0 "[ . 1 . 2]" 1
366 1 64 ASP HB2 1 65 PHE H 2.900 . 3.700 3.424 3.282 3.732 0.032 14 0 "[ . 1 . 2]" 1
367 1 65 PHE H 1 65 PHE HA 2.700 . 3.500 2.892 2.863 2.922 . 0 0 "[ . 1 . 2]" 1
368 1 65 PHE H 1 65 PHE QB 2.900 . 3.700 2.199 2.053 2.359 . 0 0 "[ . 1 . 2]" 1
369 1 65 PHE H 1 65 PHE QD 3.700 . 4.500 3.497 3.320 3.677 . 0 0 "[ . 1 . 2]" 1
370 1 65 PHE H 1 65 PHE QE 4.500 . 5.800 5.322 4.935 5.695 . 0 0 "[ . 1 . 2]" 1
371 1 65 PHE H 1 66 ILE MD 4.200 2.300 5.500 4.932 4.754 5.168 . 0 0 "[ . 1 . 2]" 1
372 1 65 PHE H 1 67 LEU H 4.100 . 4.800 3.925 3.810 4.126 . 0 0 "[ . 1 . 2]" 1
373 1 63 ILE HA 1 66 ILE H 3.200 . 4.000 3.487 3.364 3.596 . 0 0 "[ . 1 . 2]" 1
374 1 65 PHE HA 1 66 ILE H 3.400 . 4.200 3.472 3.378 3.533 . 0 0 "[ . 1 . 2]" 1
375 1 65 PHE QB 1 66 ILE H 3.400 . 4.200 2.986 2.726 3.300 . 0 0 "[ . 1 . 2]" 1
376 1 66 ILE H 1 66 ILE HA 2.700 . 3.500 2.921 2.881 2.933 . 0 0 "[ . 1 . 2]" 1
377 1 66 ILE H 1 67 LEU H 2.600 . 3.400 2.268 2.160 2.458 . 0 0 "[ . 1 . 2]" 1
378 1 63 ILE HA 1 67 LEU H 4.000 . 4.800 4.034 3.321 4.305 . 0 0 "[ . 1 . 2]" 1
379 1 66 ILE HA 1 67 LEU H 3.800 . 4.600 3.500 3.448 3.569 . 0 0 "[ . 1 . 2]" 1
380 1 66 ILE HB 1 67 LEU H 2.700 . 4.000 3.784 3.516 3.901 . 0 0 "[ . 1 . 2]" 1
381 1 66 ILE MD 1 67 LEU H 4.000 2.300 5.300 2.686 2.426 3.438 . 0 0 "[ . 1 . 2]" 1
382 1 67 LEU H 1 67 LEU HB3 2.400 . 3.200 2.856 2.769 2.949 . 0 0 "[ . 1 . 2]" 1
383 1 67 LEU H 1 67 LEU HB2 2.900 . 3.700 2.324 2.200 2.387 . 0 0 "[ . 1 . 2]" 1
384 1 67 LEU H 1 67 LEU MD1 4.200 2.300 5.000 3.817 3.636 3.902 . 0 0 "[ . 1 . 2]" 1
385 1 67 LEU H 1 67 LEU MD2 3.900 . 4.900 4.367 4.344 4.406 . 0 0 "[ . 1 . 2]" 1
386 1 67 LEU H 1 67 LEU HA 3.000 . 3.800 2.885 2.846 2.909 . 0 0 "[ . 1 . 2]" 1
387 1 67 LEU H 1 68 LYS H 2.900 . 3.700 2.482 2.367 2.648 . 0 0 "[ . 1 . 2]" 1
388 1 66 ILE HA 1 68 LYS H 5.200 . 6.000 3.826 3.678 3.989 . 0 0 "[ . 1 . 2]" 1
389 1 66 ILE H 1 68 LYS H 5.200 . 6.000 3.769 3.608 3.913 . 0 0 "[ . 1 . 2]" 1
390 1 67 LEU HB3 1 68 LYS H 2.800 . 3.600 3.424 3.319 3.462 . 0 0 "[ . 1 . 2]" 1
391 1 67 LEU MD1 1 68 LYS H 4.700 . 5.700 4.959 4.928 4.993 . 0 0 "[ . 1 . 2]" 1
392 1 67 LEU MD2 1 68 LYS H 5.200 . 6.000 5.010 4.863 5.079 . 0 0 "[ . 1 . 2]" 1
393 1 68 LYS H 1 68 LYS HA 2.600 . 3.400 2.927 2.911 2.941 . 0 0 "[ . 1 . 2]" 1
394 1 68 LYS H 1 68 LYS QB 2.800 . 3.600 2.290 2.259 2.367 . 0 0 "[ . 1 . 2]" 1
395 1 68 LYS H 1 69 LEU HA 4.100 2.300 5.100 4.848 4.719 4.951 . 0 0 "[ . 1 . 2]" 1
396 1 68 LYS H 1 69 LEU QD 4.900 2.300 5.700 4.159 3.401 4.447 . 0 0 "[ . 1 . 2]" 1
397 1 66 ILE HA 1 69 LEU H 3.800 . 4.600 3.670 3.409 3.835 . 0 0 "[ . 1 . 2]" 1
398 1 68 LYS HA 1 69 LEU H 2.900 . 3.700 3.381 3.290 3.486 . 0 0 "[ . 1 . 2]" 1
399 1 68 LYS QB 1 69 LEU H 2.700 . 3.700 3.185 2.908 3.355 . 0 0 "[ . 1 . 2]" 1
400 1 69 LEU H 1 69 LEU HA 2.600 . 3.400 2.916 2.905 2.933 . 0 0 "[ . 1 . 2]" 1
401 1 69 LEU H 1 69 LEU QD 3.300 2.300 4.100 3.232 2.445 3.447 . 0 0 "[ . 1 . 2]" 1
402 1 69 LEU H 1 70 SER H 4.100 2.300 4.800 4.497 4.431 4.527 . 0 0 "[ . 1 . 2]" 1
403 1 69 LEU H 1 73 ASP HB3 4.100 . 5.400 5.282 5.001 5.452 0.052 17 0 "[ . 1 . 2]" 1
404 1 69 LEU H 1 73 ASP HB2 5.200 . 6.000 5.492 4.767 6.054 0.054 20 0 "[ . 1 . 2]" 1
405 1 69 LEU HA 1 70 SER H 2.300 . 3.100 2.539 2.479 2.657 . 0 0 "[ . 1 . 2]" 1
406 1 69 LEU HB2 1 70 SER H 2.800 . 3.600 3.473 3.329 3.595 . 0 0 "[ . 1 . 2]" 1
407 1 69 LEU QD 1 70 SER H 3.300 . 4.100 2.910 2.307 3.468 . 0 0 "[ . 1 . 2]" 1
408 1 70 SER H 1 73 ASP HB3 3.400 . 4.700 4.065 3.545 4.642 . 0 0 "[ . 1 . 2]" 1
409 1 70 SER H 1 73 ASP HB2 3.600 . 4.900 3.113 2.759 3.377 . 0 0 "[ . 1 . 2]" 1
410 1 70 SER HA 1 72 ALA H 5.200 . 6.000 4.260 4.181 4.314 . 0 0 "[ . 1 . 2]" 1
411 1 71 PRO HB3 1 72 ALA H 3.600 . 4.400 4.196 4.167 4.274 . 0 0 "[ . 1 . 2]" 1
412 1 71 PRO HB2 1 72 ALA H 3.200 . 4.000 3.020 2.908 3.338 . 0 0 "[ . 1 . 2]" 1
413 1 71 PRO QG 1 72 ALA H 4.200 . 5.000 3.657 2.723 4.007 . 0 0 "[ . 1 . 2]" 1
414 1 72 ALA H 1 72 ALA HA 2.700 . 3.500 2.859 2.836 2.890 . 0 0 "[ . 1 . 2]" 1
415 1 72 ALA H 1 72 ALA MB 2.900 . 3.700 2.244 2.233 2.265 . 0 0 "[ . 1 . 2]" 1
416 1 72 ALA H 1 73 ASP H 3.200 . 3.500 2.494 2.378 2.598 . 0 0 "[ . 1 . 2]" 1
417 1 72 ALA H 1 74 VAL H 4.200 . 5.000 4.289 4.194 4.385 . 0 0 "[ . 1 . 2]" 1
418 1 73 ASP H 1 73 ASP HA 2.700 . 3.500 2.862 2.861 2.866 . 0 0 "[ . 1 . 2]" 1
419 1 73 ASP H 1 73 ASP HB3 2.600 . 3.600 3.216 2.783 3.582 . 0 0 "[ . 1 . 2]" 1
420 1 73 ASP H 1 73 ASP HB2 2.800 . 3.600 2.261 2.205 2.365 . 0 0 "[ . 1 . 2]" 1
421 1 73 ASP H 1 74 VAL H 2.500 . 3.300 2.548 2.528 2.564 . 0 0 "[ . 1 . 2]" 1
422 1 73 ASP H 1 74 VAL MG2 3.800 . 4.600 3.536 3.501 3.647 . 0 0 "[ . 1 . 2]" 1
423 1 69 LEU HB2 1 74 VAL H 4.500 2.300 5.300 4.778 4.512 5.247 . 0 0 "[ . 1 . 2]" 1
424 1 71 PRO HA 1 74 VAL H 3.200 . 4.500 3.581 3.509 3.747 . 0 0 "[ . 1 . 2]" 1
425 1 71 PRO HB2 1 74 VAL H 4.300 2.300 5.600 5.630 5.532 5.659 0.059 6 0 "[ . 1 . 2]" 1
426 1 73 ASP HA 1 74 VAL H 3.900 . 5.200 3.548 3.535 3.554 . 0 0 "[ . 1 . 2]" 1
427 1 73 ASP HB3 1 74 VAL H 3.500 . 4.300 3.098 2.573 3.584 . 0 0 "[ . 1 . 2]" 1
428 1 73 ASP HB2 1 74 VAL H 3.800 . 5.100 3.172 2.681 3.660 . 0 0 "[ . 1 . 2]" 1
429 1 74 VAL H 1 74 VAL HB 2.800 . 3.800 3.623 3.597 3.658 . 0 0 "[ . 1 . 2]" 1
430 1 74 VAL H 1 74 VAL MG1 3.000 . 3.800 2.649 2.479 2.751 . 0 0 "[ . 1 . 2]" 1
431 1 74 VAL H 1 74 VAL MG2 3.400 . 4.200 1.820 1.799 1.877 0.001 8 0 "[ . 1 . 2]" 1
432 1 74 VAL H 1 75 GLN HA 5.200 . 6.000 5.113 5.069 5.165 . 0 0 "[ . 1 . 2]" 1
433 1 74 VAL H 1 75 GLN H 2.900 . 3.700 2.538 2.488 2.597 . 0 0 "[ . 1 . 2]" 1
434 1 72 ALA HA 1 75 GLN H 3.100 . 3.900 3.612 3.512 3.736 . 0 0 "[ . 1 . 2]" 1
435 1 74 VAL HA 1 75 GLN H 4.000 . 4.800 3.491 3.485 3.499 . 0 0 "[ . 1 . 2]" 1
436 1 74 VAL MG2 1 75 GLN H 3.600 . 4.400 2.365 2.268 2.412 . 0 0 "[ . 1 . 2]" 1
437 1 75 GLN H 1 75 GLN HA 3.000 . 3.800 2.756 2.748 2.778 . 0 0 "[ . 1 . 2]" 1
438 1 75 GLN H 1 76 ALA H 3.100 . 3.600 2.866 2.777 2.921 . 0 0 "[ . 1 . 2]" 1
439 1 75 GLN H 1 77 ARG H 5.200 . 6.000 4.262 4.119 4.472 . 0 0 "[ . 1 . 2]" 1
440 1 75 GLN QB 1 75 GLN HE22 3.900 . 4.700 3.907 3.594 4.018 . 0 0 "[ . 1 . 2]" 1
441 1 75 GLN HE22 1 75 GLN QG 3.100 . 3.900 3.288 3.259 3.317 . 0 0 "[ . 1 . 2]" 1
442 1 75 GLN HA 1 75 GLN HE22 5.200 . 6.000 3.882 3.396 5.488 . 0 0 "[ . 1 . 2]" 1
443 1 75 GLN HE22 1 78 ILE MD 4.900 2.300 5.700 3.665 2.923 5.721 0.021 4 0 "[ . 1 . 2]" 1
444 1 75 GLN HE22 1 97 LEU MD2 3.500 . 4.800 4.270 3.083 4.820 0.020 16 0 "[ . 1 . 2]" 1
445 1 73 ASP HA 1 76 ALA H 3.300 . 4.600 4.099 3.954 4.183 . 0 0 "[ . 1 . 2]" 1
446 1 75 GLN QB 1 76 ALA H 3.000 . 3.800 2.667 2.519 2.839 . 0 0 "[ . 1 . 2]" 1
447 1 75 GLN QG 1 76 ALA H 3.800 . 5.100 4.215 4.036 4.528 . 0 0 "[ . 1 . 2]" 1
448 1 76 ALA H 1 76 ALA HA 2.600 . 3.400 2.839 2.806 2.852 . 0 0 "[ . 1 . 2]" 1
449 1 76 ALA H 1 77 ARG H 2.600 . 3.400 2.571 2.496 2.710 . 0 0 "[ . 1 . 2]" 1
450 1 40 LEU QD 1 77 ARG H 4.000 . 5.500 4.127 3.607 5.188 . 0 0 "[ . 1 . 2]" 1
451 1 77 ARG H 1 77 ARG HD2 3.900 2.300 5.200 4.439 2.556 5.118 . 0 0 "[ . 1 . 2]" 1
452 1 73 ASP HA 1 77 ARG H 5.200 . 6.000 5.470 5.222 5.627 . 0 0 "[ . 1 . 2]" 1
453 1 74 VAL HA 1 77 ARG H 3.400 . 4.700 3.267 3.175 3.482 . 0 0 "[ . 1 . 2]" 1
454 1 74 VAL MG1 1 77 ARG H 4.300 . 5.600 4.906 4.763 5.057 . 0 0 "[ . 1 . 2]" 1
455 1 76 ALA HA 1 77 ARG H 3.500 . 4.500 3.513 3.487 3.537 . 0 0 "[ . 1 . 2]" 1
456 1 77 ARG H 1 77 ARG HA 2.700 . 3.500 2.857 2.849 2.862 . 0 0 "[ . 1 . 2]" 1
457 1 77 ARG H 1 77 ARG HB2 2.400 . 3.200 2.316 2.214 2.393 . 0 0 "[ . 1 . 2]" 1
458 1 77 ARG H 1 77 ARG QD 4.100 2.300 5.400 4.010 2.421 4.487 . 0 0 "[ . 1 . 2]" 1
459 1 77 ARG H 1 77 ARG QG 3.500 2.300 4.800 2.837 2.444 3.922 . 0 0 "[ . 1 . 2]" 1
460 1 77 ARG H 1 78 ILE H 2.600 . 3.400 2.520 2.490 2.566 . 0 0 "[ . 1 . 2]" 1
461 1 76 ALA H 1 78 ILE H 4.200 . 5.000 4.057 3.916 4.185 . 0 0 "[ . 1 . 2]" 1
462 1 77 ARG HA 1 78 ILE H 3.000 . 3.800 3.510 3.489 3.534 . 0 0 "[ . 1 . 2]" 1
463 1 78 ILE H 1 78 ILE HB 3.000 2.300 3.800 2.501 2.454 2.535 . 0 0 "[ . 1 . 2]" 1
464 1 78 ILE H 1 78 ILE MD 3.800 2.300 4.600 3.051 2.847 3.279 . 0 0 "[ . 1 . 2]" 1
465 1 78 ILE H 1 78 ILE MG 3.200 . 4.700 3.777 3.762 3.787 . 0 0 "[ . 1 . 2]" 1
466 1 78 ILE H 1 79 ASN QB 5.200 . 6.000 4.381 4.170 4.856 . 0 0 "[ . 1 . 2]" 1
467 1 78 ILE H 1 79 ASN H 3.000 . 3.500 2.500 2.401 2.608 . 0 0 "[ . 1 . 2]" 1
468 1 78 ILE H 1 78 ILE QG 3.200 2.300 4.000 2.300 2.270 2.366 0.030 14 0 "[ . 1 . 2]" 1
469 1 75 GLN QG 1 79 ASN H 4.000 . 6.000 5.103 4.663 5.959 . 0 0 "[ . 1 . 2]" 1
470 1 76 ALA H 1 79 ASN H 4.100 2.300 4.900 4.911 4.878 4.951 0.051 19 0 "[ . 1 . 2]" 1
471 1 77 ARG HA 1 79 ASN H 3.500 2.300 4.800 4.108 3.887 4.352 . 0 0 "[ . 1 . 2]" 1
472 1 77 ARG HB2 1 79 ASN H 4.000 2.300 5.500 5.114 4.896 5.516 0.016 14 0 "[ . 1 . 2]" 1
473 1 78 ILE QG 1 79 ASN H 4.300 2.300 5.100 4.170 4.104 4.227 . 0 0 "[ . 1 . 2]" 1
474 1 78 ILE HA 1 79 ASN H 3.400 . 4.200 3.488 3.456 3.547 . 0 0 "[ . 1 . 2]" 1
475 1 78 ILE HB 1 79 ASN H 3.000 2.300 3.800 2.883 2.820 2.971 . 0 0 "[ . 1 . 2]" 1
476 1 78 ILE MD 1 79 ASN H 4.200 2.300 5.500 4.437 4.298 4.639 . 0 0 "[ . 1 . 2]" 1
477 1 78 ILE MG 1 79 ASN H 3.200 . 4.200 3.630 3.516 3.706 . 0 0 "[ . 1 . 2]" 1
478 1 79 ASN H 1 79 ASN HA 2.600 . 3.400 2.842 2.829 2.855 . 0 0 "[ . 1 . 2]" 1
479 1 79 ASN H 1 79 ASN QB 2.700 . 3.500 2.253 2.100 2.586 . 0 0 "[ . 1 . 2]" 1
480 1 79 ASN H 1 79 ASN HD22 4.100 . 4.900 4.267 3.826 4.484 . 0 0 "[ . 1 . 2]" 1
481 1 79 ASN H 1 80 VAL H 2.700 . 3.500 2.651 2.561 2.725 . 0 0 "[ . 1 . 2]" 1
482 1 75 GLN QB 1 79 ASN HD21 4.700 . 5.500 4.336 3.391 4.825 . 0 0 "[ . 1 . 2]" 1
483 1 75 GLN QG 1 79 ASN HD21 4.600 2.300 5.900 4.093 3.223 5.290 . 0 0 "[ . 1 . 2]" 1
484 1 76 ALA HA 1 79 ASN HD21 3.200 . 4.500 2.614 2.251 2.839 . 0 0 "[ . 1 . 2]" 1
485 1 76 ALA MB 1 79 ASN HD21 5.100 2.300 5.900 4.145 3.719 4.421 . 0 0 "[ . 1 . 2]" 1
486 1 79 ASN QB 1 79 ASN HD21 2.900 . 3.700 2.167 2.060 2.211 . 0 0 "[ . 1 . 2]" 1
487 1 79 ASN H 1 79 ASN HD21 4.000 . 4.800 3.327 2.635 3.866 . 0 0 "[ . 1 . 2]" 1
488 1 75 GLN QB 1 79 ASN HD22 4.600 . 5.400 4.354 3.613 4.978 . 0 0 "[ . 1 . 2]" 1
489 1 75 GLN QG 1 79 ASN HD22 4.500 2.300 5.800 3.609 2.764 5.704 . 0 0 "[ . 1 . 2]" 1
490 1 76 ALA HA 1 79 ASN HD22 3.400 . 4.200 3.827 1.766 4.244 0.044 20 0 "[ . 1 . 2]" 1
491 1 76 ALA MB 1 79 ASN HD22 5.200 . 6.000 5.099 3.124 5.534 . 0 0 "[ . 1 . 2]" 1
492 1 79 ASN QB 1 79 ASN HD22 3.000 . 3.800 3.238 3.207 3.291 . 0 0 "[ . 1 . 2]" 1
493 1 77 ARG HB2 1 80 VAL H 4.200 2.300 5.700 5.756 5.700 5.798 0.098 4 0 "[ . 1 . 2]" 1
494 1 78 ILE HA 1 80 VAL H 5.200 . 6.000 4.515 4.348 4.621 . 0 0 "[ . 1 . 2]" 1
495 1 78 ILE H 1 80 VAL H 5.200 . 6.000 4.263 4.069 4.415 . 0 0 "[ . 1 . 2]" 1
496 1 79 ASN HA 1 80 VAL H 3.500 . 4.500 3.563 3.540 3.580 . 0 0 "[ . 1 . 2]" 1
497 1 79 ASN QB 1 80 VAL H 3.200 . 4.500 2.656 2.484 3.594 . 0 0 "[ . 1 . 2]" 1
498 1 79 ASN HD21 1 80 VAL H 4.500 2.300 5.800 4.782 4.556 4.951 . 0 0 "[ . 1 . 2]" 1
499 1 80 VAL H 1 80 VAL HA 2.500 . 3.300 2.863 2.851 2.876 . 0 0 "[ . 1 . 2]" 1
500 1 80 VAL H 1 80 VAL HB 2.500 . 3.800 3.192 2.494 3.651 . 0 0 "[ . 1 . 2]" 1
501 1 80 VAL H 1 80 VAL MG1 2.900 . 3.700 2.485 2.130 2.733 . 0 0 "[ . 1 . 2]" 1
502 1 80 VAL H 1 80 VAL MG2 3.300 . 4.300 2.610 1.796 3.809 0.004 17 0 "[ . 1 . 2]" 1
503 1 80 VAL H 1 81 LEU H 2.500 . 3.300 2.516 2.465 2.545 . 0 0 "[ . 1 . 2]" 1
504 1 80 VAL H 1 82 ARG H 5.200 . 6.000 4.189 4.068 4.309 . 0 0 "[ . 1 . 2]" 1
505 1 78 ILE HA 1 81 LEU H 3.700 . 4.500 3.568 3.480 3.658 . 0 0 "[ . 1 . 2]" 1
506 1 80 VAL HA 1 81 LEU H 3.100 . 3.900 3.513 3.493 3.533 . 0 0 "[ . 1 . 2]" 1
507 1 80 VAL MG1 1 81 LEU H 3.900 . 4.700 3.341 2.051 4.157 . 0 0 "[ . 1 . 2]" 1
508 1 81 LEU H 1 81 LEU MD1 3.200 . 4.200 3.516 3.398 3.674 . 0 0 "[ . 1 . 2]" 1
509 1 81 LEU H 1 82 ARG H 3.100 . 3.700 2.705 2.608 2.822 . 0 0 "[ . 1 . 2]" 1
510 1 78 ILE HA 1 82 ARG H 3.600 . 4.400 4.209 3.930 4.428 0.028 14 0 "[ . 1 . 2]" 1
511 1 78 ILE MG 1 82 ARG H 4.700 2.300 5.500 4.212 3.969 4.321 . 0 0 "[ . 1 . 2]" 1
512 1 79 ASN HA 1 82 ARG H 3.600 . 4.400 3.841 3.670 4.054 . 0 0 "[ . 1 . 2]" 1
513 1 80 VAL HA 1 82 ARG H 4.000 . 4.800 4.267 4.110 4.408 . 0 0 "[ . 1 . 2]" 1
514 1 81 LEU HB3 1 82 ARG H 3.000 . 3.800 2.734 2.638 2.899 . 0 0 "[ . 1 . 2]" 1
515 1 81 LEU QD 1 82 ARG H 4.400 2.300 5.700 4.151 4.109 4.226 . 0 0 "[ . 1 . 2]" 1
516 1 82 ARG H 1 82 ARG QB 2.900 . 3.700 2.237 2.066 2.347 . 0 0 "[ . 1 . 2]" 1
517 1 82 ARG H 1 82 ARG HD2 4.600 . 5.400 4.594 3.979 5.287 . 0 0 "[ . 1 . 2]" 1
518 1 82 ARG H 1 82 ARG QG 3.100 . 3.900 3.004 2.430 3.980 0.080 19 0 "[ . 1 . 2]" 1
519 1 82 ARG H 1 83 ALA HA 4.000 2.300 5.500 5.261 5.235 5.309 . 0 0 "[ . 1 . 2]" 1
520 1 82 ARG H 1 83 ALA H 2.900 . 3.500 2.643 2.610 2.715 . 0 0 "[ . 1 . 2]" 1
521 1 79 ASN HA 1 83 ALA H 3.800 . 5.100 4.758 4.420 5.044 . 0 0 "[ . 1 . 2]" 1
522 1 80 VAL HA 1 83 ALA H 3.100 . 3.900 3.476 3.344 3.616 . 0 0 "[ . 1 . 2]" 1
523 1 82 ARG HA 1 83 ALA H 3.400 . 4.200 3.537 3.523 3.563 . 0 0 "[ . 1 . 2]" 1
524 1 82 ARG QB 1 83 ALA H 3.000 . 3.800 2.679 2.537 2.760 . 0 0 "[ . 1 . 2]" 1
525 1 83 ALA H 1 83 ALA HA 2.500 . 3.300 2.898 2.893 2.900 . 0 0 "[ . 1 . 2]" 1
526 1 83 ALA H 1 83 ALA MB 2.500 . 3.300 2.289 2.282 2.294 . 0 0 "[ . 1 . 2]" 1
527 1 83 ALA H 1 84 HIS H 2.500 . 3.000 2.449 2.414 2.494 . 0 0 "[ . 1 . 2]" 1
528 1 80 VAL HA 1 84 HIS H 3.900 . 4.700 4.294 4.073 4.599 . 0 0 "[ . 1 . 2]" 1
529 1 80 VAL QG 1 84 HIS H 5.000 . 6.000 4.490 3.905 4.826 . 0 0 "[ . 1 . 2]" 1
530 1 81 LEU HB3 1 84 HIS H 4.400 2.300 5.700 5.416 5.344 5.492 . 0 0 "[ . 1 . 2]" 1
531 1 81 LEU MD1 1 84 HIS H 4.400 . 5.900 5.047 4.861 5.150 . 0 0 "[ . 1 . 2]" 1
532 1 81 LEU H 1 84 HIS H 5.200 . 6.000 4.824 4.747 4.928 . 0 0 "[ . 1 . 2]" 1
533 1 82 ARG QB 1 84 HIS H 4.600 2.300 5.400 4.575 4.440 4.630 . 0 0 "[ . 1 . 2]" 1
534 1 82 ARG H 1 84 HIS H 4.000 . 4.800 3.976 3.897 4.030 . 0 0 "[ . 1 . 2]" 1
535 1 83 ALA HA 1 84 HIS H 3.100 2.300 3.900 3.428 3.366 3.467 . 0 0 "[ . 1 . 2]" 1
536 1 83 ALA MB 1 84 HIS H 3.000 . 3.800 3.082 2.980 3.218 . 0 0 "[ . 1 . 2]" 1
537 1 84 HIS H 1 84 HIS HA 2.600 . 3.400 2.905 2.879 2.924 . 0 0 "[ . 1 . 2]" 1
538 1 84 HIS H 1 84 HIS HB3 2.600 . 3.600 3.481 3.015 3.557 . 0 0 "[ . 1 . 2]" 1
539 1 84 HIS H 1 84 HIS HB2 2.400 . 3.200 2.252 2.197 2.346 . 0 0 "[ . 1 . 2]" 1
540 1 84 HIS H 1 85 GLY HA2 4.300 . 5.600 4.864 4.779 4.965 . 0 0 "[ . 1 . 2]" 1
541 1 84 HIS H 1 86 TYR QD 4.100 2.300 4.900 4.279 4.062 4.553 . 0 0 "[ . 1 . 2]" 1
542 1 84 HIS H 1 86 TYR QE 5.100 2.300 6.200 6.016 5.808 6.139 . 0 0 "[ . 1 . 2]" 1
543 1 84 HIS H 1 86 TYR H 3.700 2.300 4.300 3.475 3.352 3.645 . 0 0 "[ . 1 . 2]" 1
544 1 84 HIS HA 1 85 GLY H 3.200 . 4.000 3.308 3.229 3.399 . 0 0 "[ . 1 . 2]" 1
545 1 84 HIS HB2 1 85 GLY H 3.900 . 4.700 3.683 3.441 4.001 . 0 0 "[ . 1 . 2]" 1
546 1 84 HIS H 1 85 GLY H 3.400 2.300 4.200 2.471 2.350 2.590 . 0 0 "[ . 1 . 2]" 1
547 1 85 GLY H 1 85 GLY HA3 2.600 . 3.400 2.943 2.932 2.955 . 0 0 "[ . 1 . 2]" 1
548 1 85 GLY H 1 85 GLY HA2 3.000 . 3.800 2.397 2.373 2.437 . 0 0 "[ . 1 . 2]" 1
549 1 85 GLY H 1 86 TYR HA 5.200 . 6.000 4.973 4.875 5.029 . 0 0 "[ . 1 . 2]" 1
550 1 85 GLY H 1 86 TYR QD 5.200 . 6.000 4.112 3.838 4.410 . 0 0 "[ . 1 . 2]" 1
551 1 85 GLY H 1 86 TYR H 2.600 . 3.400 2.357 2.238 2.428 . 0 0 "[ . 1 . 2]" 1
552 1 81 LEU HA 1 86 TYR H 3.100 . 3.900 3.825 3.704 3.947 0.047 9 0 "[ . 1 . 2]" 1
553 1 81 LEU MD1 1 86 TYR H 4.200 . 5.000 4.335 4.146 4.439 . 0 0 "[ . 1 . 2]" 1
554 1 81 LEU QB 1 86 TYR H 4.000 . 5.500 4.938 4.863 5.053 . 0 0 "[ . 1 . 2]" 1
555 1 82 ARG HA 1 86 TYR H 3.800 2.300 4.600 4.307 4.101 4.537 . 0 0 "[ . 1 . 2]" 1
556 1 84 HIS HA 1 86 TYR H 5.200 . 6.000 4.596 4.539 4.704 . 0 0 "[ . 1 . 2]" 1
557 1 85 GLY HA2 1 86 TYR H 3.700 . 4.500 3.305 3.292 3.314 . 0 0 "[ . 1 . 2]" 1
558 1 86 TYR H 1 86 TYR HA 3.000 . 3.800 2.931 2.926 2.939 . 0 0 "[ . 1 . 2]" 1
559 1 86 TYR H 1 86 TYR HB3 3.100 . 3.900 3.657 3.640 3.675 . 0 0 "[ . 1 . 2]" 1
560 1 86 TYR H 1 86 TYR HB2 2.800 . 3.600 2.447 2.413 2.484 . 0 0 "[ . 1 . 2]" 1
561 1 86 TYR H 1 86 TYR QD 3.500 . 4.300 2.518 2.305 2.865 . 0 0 "[ . 1 . 2]" 1
562 1 86 TYR H 1 86 TYR QE 4.600 . 5.400 4.571 4.465 4.653 . 0 0 "[ . 1 . 2]" 1
563 1 86 TYR H 1 87 GLN QB 4.800 2.300 5.800 5.014 4.471 5.099 . 0 0 "[ . 1 . 2]" 1
564 1 81 LEU HA 1 87 GLN H 4.300 2.300 6.000 6.059 6.030 6.079 0.079 2 0 "[ . 1 . 2]" 1
565 1 81 LEU MD1 1 87 GLN H 5.200 2.300 6.000 5.967 5.760 6.033 0.033 8 0 "[ . 1 . 2]" 1
566 1 86 TYR HA 1 87 GLN H 2.200 . 3.000 2.660 2.595 2.718 . 0 0 "[ . 1 . 2]" 1
567 1 86 TYR QD 1 87 GLN H 4.200 . 5.500 4.893 4.812 4.934 . 0 0 "[ . 1 . 2]" 1
568 1 86 TYR HB2 1 87 GLN H 3.700 . 4.500 4.282 4.228 4.329 . 0 0 "[ . 1 . 2]" 1
569 1 86 TYR HB3 1 87 GLN H 3.600 . 4.600 4.413 4.394 4.432 . 0 0 "[ . 1 . 2]" 1
570 1 87 GLN H 1 87 GLN HA 2.400 . 3.200 2.808 2.783 2.832 . 0 0 "[ . 1 . 2]" 1
571 1 87 GLN H 1 87 GLN QB 2.500 . 3.300 2.339 2.068 2.626 . 0 0 "[ . 1 . 2]" 1
572 1 87 GLN H 1 87 GLN QG 3.000 . 3.800 2.387 1.827 3.711 . 0 0 "[ . 1 . 2]" 1
573 1 87 GLN H 1 88 ALA H 2.600 . 3.200 2.721 2.644 2.841 . 0 0 "[ . 1 . 2]" 1
574 1 87 GLN H 1 88 ALA HA 4.200 . 5.500 5.317 5.252 5.414 . 0 0 "[ . 1 . 2]" 1
575 1 87 GLN H 1 89 LEU HB2 3.500 2.300 5.000 5.043 5.015 5.071 0.071 6 0 "[ . 1 . 2]" 1
576 1 86 TYR HA 1 88 ALA H 3.700 . 4.700 3.644 3.499 3.854 . 0 0 "[ . 1 . 2]" 1
577 1 87 GLN QB 1 88 ALA H 2.800 . 3.600 2.621 2.364 3.462 . 0 0 "[ . 1 . 2]" 1
578 1 87 GLN QG 1 88 ALA H 3.700 . 4.700 4.103 2.242 4.326 . 0 0 "[ . 1 . 2]" 1
579 1 88 ALA H 1 88 ALA HA 2.500 . 3.300 2.802 2.772 2.830 . 0 0 "[ . 1 . 2]" 1
580 1 88 ALA H 1 88 ALA MB 2.400 . 3.200 2.231 2.215 2.238 . 0 0 "[ . 1 . 2]" 1
581 1 86 TYR HA 1 89 LEU H 5.200 . 6.000 3.686 3.610 3.777 . 0 0 "[ . 1 . 2]" 1
582 1 86 TYR HB3 1 89 LEU H 3.900 . 5.300 3.715 3.626 3.832 . 0 0 "[ . 1 . 2]" 1
583 1 86 TYR HB2 1 89 LEU H 5.200 . 6.200 4.947 4.796 5.064 . 0 0 "[ . 1 . 2]" 1
584 1 88 ALA HA 1 89 LEU H 3.900 . 5.200 3.485 3.468 3.495 . 0 0 "[ . 1 . 2]" 1
585 1 88 ALA MB 1 89 LEU H 2.800 . 4.100 2.651 2.616 2.694 . 0 0 "[ . 1 . 2]" 1
586 1 89 LEU H 1 89 LEU HB3 2.800 . 3.600 3.494 3.450 3.518 . 0 0 "[ . 1 . 2]" 1
587 1 89 LEU H 1 89 LEU QD 3.600 . 4.400 2.429 2.171 3.229 . 0 0 "[ . 1 . 2]" 1
588 1 89 LEU H 1 90 ALA H 2.900 . 3.200 2.478 2.449 2.514 . 0 0 "[ . 1 . 2]" 1
589 1 86 TYR HB2 1 90 ALA H 3.600 . 5.100 4.955 4.806 5.060 . 0 0 "[ . 1 . 2]" 1
590 1 89 LEU HB3 1 90 ALA H 2.600 . 3.900 3.461 3.385 3.585 . 0 0 "[ . 1 . 2]" 1
591 1 89 LEU QD 1 90 ALA H 3.800 2.300 5.100 3.925 3.822 4.210 . 0 0 "[ . 1 . 2]" 1
592 1 90 ALA H 1 90 ALA HA 2.600 . 3.400 2.838 2.831 2.842 . 0 0 "[ . 1 . 2]" 1
593 1 90 ALA H 1 90 ALA MB 2.500 . 3.300 2.189 2.034 2.241 . 0 0 "[ . 1 . 2]" 1
594 1 90 ALA H 1 91 ASP HB3 4.300 2.300 5.300 5.288 5.245 5.311 0.011 19 0 "[ . 1 . 2]" 1
595 1 89 LEU QD 1 91 ASP H 4.900 2.300 6.000 5.170 4.770 5.357 . 0 0 "[ . 1 . 2]" 1
596 1 90 ALA HA 1 91 ASP H 3.300 . 4.100 3.451 3.432 3.511 . 0 0 "[ . 1 . 2]" 1
597 1 90 ALA MB 1 91 ASP H 2.800 . 3.800 2.974 2.745 3.063 . 0 0 "[ . 1 . 2]" 1
598 1 90 ALA H 1 91 ASP H 2.500 . 3.300 2.598 2.575 2.620 . 0 0 "[ . 1 . 2]" 1
599 1 91 ASP H 1 91 ASP HA 2.500 . 3.300 2.890 2.856 2.905 . 0 0 "[ . 1 . 2]" 1
600 1 91 ASP H 1 91 ASP HB3 2.300 . 3.300 2.834 2.809 2.856 . 0 0 "[ . 1 . 2]" 1
601 1 91 ASP H 1 91 ASP HB2 2.500 . 3.500 2.357 2.278 2.431 . 0 0 "[ . 1 . 2]" 1
602 1 91 ASP H 1 92 LYS HB3 4.000 2.300 6.000 5.771 5.050 6.011 0.011 17 0 "[ . 1 . 2]" 1
603 1 91 ASP H 1 92 LYS HB2 3.900 2.300 5.900 4.403 4.256 4.535 . 0 0 "[ . 1 . 2]" 1
604 1 91 ASP H 1 92 LYS H 2.600 . 3.700 2.366 2.295 2.494 . 0 0 "[ . 1 . 2]" 1
605 1 89 LEU HA 1 92 LYS H 3.500 . 4.300 3.547 3.440 3.642 . 0 0 "[ . 1 . 2]" 1
606 1 90 ALA MB 1 92 LYS H 4.200 2.300 5.500 4.590 4.432 4.663 . 0 0 "[ . 1 . 2]" 1
607 1 91 ASP HB3 1 92 LYS H 3.000 . 3.800 3.006 2.936 3.095 . 0 0 "[ . 1 . 2]" 1
608 1 91 ASP HB2 1 92 LYS H 3.200 . 4.000 3.799 3.753 3.842 . 0 0 "[ . 1 . 2]" 1
609 1 92 LYS H 1 92 LYS HA 2.800 . 3.600 2.866 2.858 2.872 . 0 0 "[ . 1 . 2]" 1
610 1 92 LYS H 1 92 LYS HB3 2.600 . 3.600 3.467 2.892 3.579 . 0 0 "[ . 1 . 2]" 1
611 1 92 LYS H 1 92 LYS HB2 2.500 . 3.300 2.304 2.252 2.344 . 0 0 "[ . 1 . 2]" 1
612 1 92 LYS H 1 93 LEU QD 4.500 2.300 5.800 4.185 4.148 4.387 . 0 0 "[ . 1 . 2]" 1
613 1 92 LYS H 1 93 LEU H 2.700 . 3.400 2.607 2.540 2.655 . 0 0 "[ . 1 . 2]" 1
614 1 90 ALA MB 1 93 LEU H 4.200 2.300 5.500 5.002 4.764 5.131 . 0 0 "[ . 1 . 2]" 1
615 1 91 ASP HB3 1 93 LEU H 4.400 2.300 5.700 5.454 5.372 5.557 . 0 0 "[ . 1 . 2]" 1
616 1 92 LYS HB3 1 93 LEU H 2.500 . 3.500 3.257 2.505 3.453 . 0 0 "[ . 1 . 2]" 1
617 1 93 LEU H 1 93 LEU HA 2.900 . 3.700 2.852 2.839 2.858 . 0 0 "[ . 1 . 2]" 1
618 1 93 LEU H 1 93 LEU QD 3.400 2.300 4.200 2.817 2.798 2.882 . 0 0 "[ . 1 . 2]" 1
619 1 93 LEU H 1 93 LEU HG 2.400 . 3.400 1.838 1.776 1.919 0.024 13 0 "[ . 1 . 2]" 1
620 1 93 LEU H 1 93 LEU HB2 3.000 . 3.800 3.558 2.729 3.608 . 0 0 "[ . 1 . 2]" 1
621 1 92 LYS HA 1 93 LEU H 3.700 2.300 4.500 3.574 3.556 3.584 . 0 0 "[ . 1 . 2]" 1
622 1 93 LEU H 1 94 ASN HB2 4.400 2.300 5.200 4.568 4.511 4.647 . 0 0 "[ . 1 . 2]" 1
623 1 90 ALA HA 1 94 ASN H 3.500 . 4.300 4.119 3.975 4.234 . 0 0 "[ . 1 . 2]" 1
624 1 90 ALA MB 1 94 ASN H 4.300 . 5.600 4.792 4.672 4.939 . 0 0 "[ . 1 . 2]" 1
625 1 91 ASP HA 1 94 ASN H 2.900 2.300 3.900 3.749 3.571 3.854 . 0 0 "[ . 1 . 2]" 1
626 1 93 LEU HA 1 94 ASN H 3.400 . 4.200 3.495 3.474 3.528 . 0 0 "[ . 1 . 2]" 1
627 1 93 LEU HB2 1 94 ASN H 3.200 . 4.200 3.757 2.732 3.904 . 0 0 "[ . 1 . 2]" 1
628 1 94 ASN H 1 94 ASN HB3 2.400 . 3.200 2.866 2.824 2.887 . 0 0 "[ . 1 . 2]" 1
629 1 94 ASN H 1 94 ASN HB2 2.300 . 3.100 2.271 2.246 2.302 . 0 0 "[ . 1 . 2]" 1
630 1 94 ASN H 1 95 LYS H 2.600 . 3.400 2.605 2.585 2.642 . 0 0 "[ . 1 . 2]" 1
631 1 94 ASN H 1 97 LEU MD2 4.000 2.300 5.300 5.172 3.786 5.346 0.046 18 0 "[ . 1 . 2]" 1
632 1 92 LYS HA 1 95 LYS H 2.800 . 4.100 3.843 3.624 3.918 . 0 0 "[ . 1 . 2]" 1
633 1 94 ASN HB3 1 95 LYS H 2.900 . 4.200 2.757 2.654 2.842 . 0 0 "[ . 1 . 2]" 1
634 1 94 ASN HB2 1 95 LYS H 3.100 . 4.400 3.682 3.642 3.731 . 0 0 "[ . 1 . 2]" 1
635 1 95 LYS H 1 95 LYS HA 2.700 . 3.500 2.848 2.828 2.861 . 0 0 "[ . 1 . 2]" 1
636 1 95 LYS H 1 95 LYS HB3 2.400 . 3.200 2.884 2.812 2.928 . 0 0 "[ . 1 . 2]" 1
637 1 95 LYS H 1 95 LYS HB2 2.400 . 3.200 2.257 2.215 2.337 . 0 0 "[ . 1 . 2]" 1
638 1 95 LYS H 1 95 LYS QG 3.900 . 4.700 3.875 3.813 4.057 . 0 0 "[ . 1 . 2]" 1
639 1 95 LYS H 1 96 TYR H 2.800 . 3.900 2.579 2.492 2.687 . 0 0 "[ . 1 . 2]" 1
640 1 95 LYS H 1 97 LEU H 3.700 . 5.000 3.864 3.781 4.250 . 0 0 "[ . 1 . 2]" 1
641 1 92 LYS HA 1 96 TYR H 4.000 . 4.800 4.555 4.172 4.814 0.014 3 0 "[ . 1 . 2]" 1
642 1 93 LEU HA 1 96 TYR H 3.300 . 4.100 3.539 3.342 3.721 . 0 0 "[ . 1 . 2]" 1
643 1 95 LYS HB3 1 96 TYR H 3.000 . 3.800 2.701 2.569 3.030 . 0 0 "[ . 1 . 2]" 1
644 1 96 TYR H 1 96 TYR HA 2.700 . 3.500 2.843 2.830 2.853 . 0 0 "[ . 1 . 2]" 1
645 1 96 TYR H 1 96 TYR HB2 2.900 . 3.700 2.285 2.202 2.343 . 0 0 "[ . 1 . 2]" 1
646 1 96 TYR H 1 97 LEU H 3.300 . 4.100 2.497 2.438 2.597 . 0 0 "[ . 1 . 2]" 1
647 1 97 LEU H 1 97 LEU HA 2.900 . 3.700 2.844 2.820 2.875 . 0 0 "[ . 1 . 2]" 1
648 1 97 LEU H 1 97 LEU HB3 2.400 . 3.200 2.328 2.267 2.622 . 0 0 "[ . 1 . 2]" 1
649 1 96 TYR HA 1 98 THR H 4.100 . 4.900 4.369 4.056 4.720 . 0 0 "[ . 1 . 2]" 1
650 1 96 TYR H 1 98 THR H 5.200 . 6.000 4.224 4.068 4.367 . 0 0 "[ . 1 . 2]" 1
651 1 97 LEU HA 1 98 THR H 3.100 . 3.900 3.535 3.510 3.555 . 0 0 "[ . 1 . 2]" 1
652 1 97 LEU HB3 1 98 THR H 3.000 . 3.800 2.818 2.614 3.913 0.113 14 0 "[ . 1 . 2]" 1
653 1 97 LEU MD1 1 98 THR H 4.500 2.300 5.700 4.569 2.786 4.838 . 0 0 "[ . 1 . 2]" 1
654 1 98 THR H 1 98 THR HA 2.700 . 3.500 2.926 2.903 2.935 . 0 0 "[ . 1 . 2]" 1
655 1 98 THR H 1 98 THR MG 3.000 . 4.300 3.823 3.785 3.844 . 0 0 "[ . 1 . 2]" 1
656 1 7 MET HA 1 7 MET HG3 3.200 . 4.000 2.925 2.326 3.703 . 0 0 "[ . 1 . 2]" 1
657 1 7 MET HA 1 7 MET HG2 3.200 . 4.000 2.768 2.422 3.618 . 0 0 "[ . 1 . 2]" 1
658 1 7 MET QB 1 8 THR HA 4.200 . 5.000 4.104 3.989 4.247 . 0 0 "[ . 1 . 2]" 1
659 1 8 THR HA 1 8 THR MG 3.200 . 4.000 2.359 2.211 3.221 . 0 0 "[ . 1 . 2]" 1
660 1 8 THR HA 1 9 PRO QD 3.000 . 3.800 1.935 1.806 2.092 . 0 0 "[ . 1 . 2]" 1
661 1 8 THR HB 1 9 PRO QD 3.600 . 4.400 2.989 2.071 4.049 . 0 0 "[ . 1 . 2]" 1
662 1 10 GLU HB3 1 10 GLU HG3 2.800 . 3.600 2.901 2.564 3.012 . 0 0 "[ . 1 . 2]" 1
663 1 10 GLU HB2 1 10 GLU HG3 2.900 . 3.700 2.584 2.382 2.996 . 0 0 "[ . 1 . 2]" 1
664 1 10 GLU HA 1 10 GLU HG3 3.300 . 4.100 2.494 2.371 3.847 . 0 0 "[ . 1 . 2]" 1
665 1 10 GLU HG3 1 99 LEU MD1 5.200 . 6.500 6.279 5.154 6.511 0.011 9 0 "[ . 1 . 2]" 1
666 1 10 GLU HG2 1 99 LEU MD1 5.200 . 6.500 5.598 4.656 6.513 0.013 12 0 "[ . 1 . 2]" 1
667 1 12 ARG QB 1 16 PRO QD 4.300 2.300 5.300 4.225 3.978 4.649 . 0 0 "[ . 1 . 2]" 1
668 1 12 ARG HA 1 12 ARG QD 3.600 . 4.800 3.906 2.457 4.140 . 0 0 "[ . 1 . 2]" 1
669 1 14 PHE HA 1 14 PHE QD 3.700 . 4.500 2.901 2.785 2.970 . 0 0 "[ . 1 . 2]" 1
670 1 15 LEU QB 1 16 PRO HD3 3.600 . 4.400 2.053 1.964 2.150 . 0 0 "[ . 1 . 2]" 1
671 1 15 LEU QB 1 16 PRO HD2 4.000 . 4.300 3.446 3.356 3.540 . 0 0 "[ . 1 . 2]" 1
672 1 15 LEU QD 1 67 LEU MD2 2.900 . 3.900 2.405 2.072 2.743 . 0 0 "[ . 1 . 2]" 1
673 1 15 LEU QD 1 96 TYR HD1 5.000 . 6.500 4.935 4.236 6.135 . 0 0 "[ . 1 . 2]" 1
674 1 15 LEU QD 1 96 TYR HD2 5.000 . 6.500 5.084 3.847 6.444 . 0 0 "[ . 1 . 2]" 1
675 1 16 PRO HA 1 16 PRO HB3 2.900 . 3.700 2.273 2.264 2.285 . 0 0 "[ . 1 . 2]" 1
676 1 16 PRO HA 1 19 LEU QD 4.100 . 4.900 2.664 1.900 3.205 . 0 0 "[ . 1 . 2]" 1
677 1 18 ILE HA 1 21 GLU QB 4.000 . 4.800 3.120 2.835 3.614 . 0 0 "[ . 1 . 2]" 1
678 1 18 ILE MD 1 67 LEU MD2 5.000 . 6.000 5.407 4.643 5.925 . 0 0 "[ . 1 . 2]" 1
679 1 18 ILE HB 1 18 ILE MD 3.000 . 3.800 2.222 2.205 2.248 . 0 0 "[ . 1 . 2]" 1
680 1 18 ILE MD 1 19 LEU HA 4.000 . 4.800 2.890 2.639 3.869 . 0 0 "[ . 1 . 2]" 1
681 1 15 LEU HA 1 18 ILE MD 4.000 . 4.800 2.658 2.396 3.035 . 0 0 "[ . 1 . 2]" 1
682 1 18 ILE MD 1 96 TYR QD 5.000 . 5.800 5.354 4.636 5.742 . 0 0 "[ . 1 . 2]" 1
683 1 18 ILE MD 1 96 TYR QE 5.000 . 6.000 5.404 4.059 5.978 . 0 0 "[ . 1 . 2]" 1
684 1 19 LEU HA 1 19 LEU QD 2.700 . 4.000 2.676 2.220 3.441 . 0 0 "[ . 1 . 2]" 1
685 1 16 PRO HA 1 19 LEU HB3 3.500 . 4.300 3.785 3.290 4.328 0.028 13 0 "[ . 1 . 2]" 1
686 1 19 LEU HA 1 19 LEU MD2 3.000 . 4.300 3.185 2.235 4.016 . 0 0 "[ . 1 . 2]" 1
687 1 19 LEU MD2 1 60 LYS QE 4.100 . 5.400 3.192 2.231 5.165 . 0 0 "[ . 1 . 2]" 1
688 1 20 ALA HA 1 23 ILE HB 2.800 . 4.000 3.940 3.863 4.014 0.014 1 0 "[ . 1 . 2]" 1
689 1 20 ALA HA 1 23 ILE MD 3.500 . 4.300 2.333 2.165 2.448 . 0 0 "[ . 1 . 2]" 1
690 1 22 ILE HA 1 22 ILE MG 3.100 . 3.900 3.204 3.198 3.213 . 0 0 "[ . 1 . 2]" 1
691 1 22 ILE HA 1 26 LEU HB2 3.700 . 4.500 3.785 3.510 3.952 . 0 0 "[ . 1 . 2]" 1
692 1 22 ILE HB 1 22 ILE MD 2.500 . 3.300 2.260 2.198 2.300 . 0 0 "[ . 1 . 2]" 1
693 1 22 ILE MG 1 59 ALA MB 2.900 . 4.200 2.315 2.089 2.583 . 0 0 "[ . 1 . 2]" 1
694 1 23 ILE HB 1 23 ILE MD 3.000 . 3.800 2.254 2.203 2.304 . 0 0 "[ . 1 . 2]" 1
695 1 23 ILE HA 1 23 ILE MD 3.900 2.300 4.700 3.933 3.915 3.967 . 0 0 "[ . 1 . 2]" 1
696 1 23 ILE MD 1 56 GLU HG2 4.000 2.300 5.300 2.838 2.284 3.710 0.016 10 0 "[ . 1 . 2]" 1
697 1 23 ILE MD 1 56 GLU HG3 4.100 . 5.300 3.886 3.414 4.900 . 0 0 "[ . 1 . 2]" 1
698 1 23 ILE MD 1 56 GLU HA 3.700 2.300 5.000 2.834 2.271 3.397 0.029 5 0 "[ . 1 . 2]" 1
699 1 20 ALA HA 1 23 ILE MG 4.200 . 5.800 5.039 4.949 5.088 . 0 0 "[ . 1 . 2]" 1
700 1 23 ILE QG 1 23 ILE MG 3.000 . 3.800 2.177 2.144 2.188 . 0 0 "[ . 1 . 2]" 1
701 1 23 ILE HA 1 23 ILE MG 3.100 . 3.900 2.333 2.286 2.364 . 0 0 "[ . 1 . 2]" 1
702 1 23 ILE MG 1 59 ALA MB 3.100 . 4.200 2.955 2.464 3.476 . 0 0 "[ . 1 . 2]" 1
703 1 24 ALA MB 1 25 ASN HA 5.200 . 6.000 4.098 3.984 4.124 . 0 0 "[ . 1 . 2]" 1
704 1 26 LEU HA 1 26 LEU MD1 3.300 . 3.900 2.496 2.305 2.726 . 0 0 "[ . 1 . 2]" 1
705 1 26 LEU HB2 1 26 LEU MD1 2.700 . 3.500 2.176 2.143 2.208 . 0 0 "[ . 1 . 2]" 1
706 1 26 LEU MD1 1 31 ILE MD 3.500 . 4.300 2.839 2.331 3.277 . 0 0 "[ . 1 . 2]" 1
707 1 26 LEU MD1 1 86 TYR QD 3.900 . 4.900 3.898 3.398 4.392 . 0 0 "[ . 1 . 2]" 1
708 1 26 LEU MD1 1 86 TYR QE 3.700 . 4.700 4.164 3.323 4.725 0.025 9 0 "[ . 1 . 2]" 1
709 1 26 LEU MD2 1 31 ILE MD 3.500 . 4.500 2.387 2.021 2.655 . 0 0 "[ . 1 . 2]" 1
710 1 26 LEU MD2 1 86 TYR QE 5.200 . 6.500 5.842 5.384 6.248 . 0 0 "[ . 1 . 2]" 1
711 1 26 LEU MD2 1 86 TYR QD 5.200 . 6.500 6.186 5.863 6.514 0.014 9 0 "[ . 1 . 2]" 1
712 1 27 ASP HA 1 28 PRO QD 3.200 . 4.000 1.963 1.920 2.013 . 0 0 "[ . 1 . 2]" 1
713 1 27 ASP HB2 1 30 LYS QB 4.300 . 5.100 2.972 2.708 3.226 . 0 0 "[ . 1 . 2]" 1
714 1 28 PRO HA 1 31 ILE MG 3.900 . 5.200 4.419 4.320 4.554 . 0 0 "[ . 1 . 2]" 1
715 1 28 PRO HA 1 31 ILE MD 4.200 2.300 5.500 2.298 2.292 2.304 0.008 4 0 "[ . 1 . 2]" 1
716 1 28 PRO HA 1 31 ILE HB 4.000 . 5.500 4.987 4.944 5.042 . 0 0 "[ . 1 . 2]" 1
717 1 29 THR HA 1 29 THR HB 3.000 . 3.500 2.604 2.594 2.616 . 0 0 "[ . 1 . 2]" 1
718 1 29 THR HA 1 29 THR MG 3.500 . 3.700 2.217 2.209 2.233 . 0 0 "[ . 1 . 2]" 1
719 1 29 THR HA 1 32 LEU HB3 3.100 . 4.400 3.809 3.512 4.417 0.017 16 0 "[ . 1 . 2]" 1
720 1 29 THR HA 1 32 LEU QD 3.800 2.300 4.800 3.939 3.719 4.223 . 0 0 "[ . 1 . 2]" 1
721 1 27 ASP HB3 1 30 LYS QB 5.200 . 6.000 2.942 2.680 3.316 . 0 0 "[ . 1 . 2]" 1
722 1 29 THR HB 1 30 LYS QB 3.700 2.300 5.000 4.438 4.284 4.818 . 0 0 "[ . 1 . 2]" 1
723 1 30 LYS QB 1 30 LYS QD 3.300 . 3.700 2.152 2.125 2.396 . 0 0 "[ . 1 . 2]" 1
724 1 30 LYS HA 1 30 LYS QD 3.500 . 4.500 3.875 2.265 4.037 . 0 0 "[ . 1 . 2]" 1
725 1 30 LYS HA 1 30 LYS HG3 3.000 . 3.800 2.509 2.316 3.648 . 0 0 "[ . 1 . 2]" 1
726 1 30 LYS QE 1 30 LYS HG3 3.700 . 4.500 2.784 2.410 3.222 . 0 0 "[ . 1 . 2]" 1
727 1 31 ILE HA 1 31 ILE MD 3.600 . 4.900 4.129 4.103 4.153 . 0 0 "[ . 1 . 2]" 1
728 1 31 ILE HA 1 31 ILE MG 3.400 . 4.100 2.268 2.246 2.286 . 0 0 "[ . 1 . 2]" 1
729 1 31 ILE HA 1 34 GLU QB 4.100 . 4.900 3.267 2.977 3.729 . 0 0 "[ . 1 . 2]" 1
730 1 31 ILE HA 1 86 TYR QE 5.200 . 6.200 5.854 5.473 6.190 . 0 0 "[ . 1 . 2]" 1
731 1 31 ILE MD 1 35 LEU QD 3.200 2.300 4.500 3.127 2.458 3.830 . 0 0 "[ . 1 . 2]" 1
732 1 31 ILE MD 1 86 TYR QE 5.200 . 6.200 5.987 5.767 6.181 . 0 0 "[ . 1 . 2]" 1
733 1 31 ILE MD 1 86 TYR QD 5.200 . 6.200 6.166 5.949 6.211 0.011 13 0 "[ . 1 . 2]" 1
734 1 31 ILE MG 1 32 LEU HA 5.000 . 6.200 5.418 5.393 5.442 . 0 0 "[ . 1 . 2]" 1
735 1 31 ILE MG 1 81 LEU HG 3.600 . 5.000 4.983 4.933 5.020 0.020 14 0 "[ . 1 . 2]" 1
736 1 33 GLU HA 1 34 GLU HA 4.000 2.300 4.800 4.727 4.706 4.759 . 0 0 "[ . 1 . 2]" 1
737 1 35 LEU HA 1 35 LEU QD 3.000 . 3.800 2.357 2.075 2.974 . 0 0 "[ . 1 . 2]" 1
738 1 36 LEU HA 1 36 LEU MD2 2.700 . 3.500 2.270 2.170 2.404 . 0 0 "[ . 1 . 2]" 1
739 1 36 LEU HB3 1 36 LEU MD2 2.800 . 3.800 2.228 2.176 2.281 . 0 0 "[ . 1 . 2]" 1
740 1 36 LEU MD2 1 41 LEU HA 3.000 . 5.500 4.600 4.448 4.751 . 0 0 "[ . 1 . 2]" 1
741 1 36 LEU MD2 1 42 THR HA 3.000 . 5.500 4.703 4.227 5.003 . 0 0 "[ . 1 . 2]" 1
742 1 37 ARG HA 1 37 ARG QD 4.200 . 5.000 3.611 2.364 4.120 . 0 0 "[ . 1 . 2]" 1
743 1 38 ARG HD3 1 80 VAL QG 4.700 . 6.000 5.234 4.470 6.007 0.007 2 0 "[ . 1 . 2]" 1
744 1 38 ARG HD2 1 80 VAL QG 4.700 . 5.500 4.543 3.680 5.328 . 0 0 "[ . 1 . 2]" 1
745 1 40 LEU HA 1 40 LEU MD2 2.900 . 3.600 3.287 3.164 3.392 . 0 0 "[ . 1 . 2]" 1
746 1 40 LEU QB 1 40 LEU MD2 2.600 . 3.400 2.143 2.124 2.174 . 0 0 "[ . 1 . 2]" 1
747 1 41 LEU HA 1 41 LEU HB2 2.900 . 3.700 2.735 2.685 2.774 . 0 0 "[ . 1 . 2]" 1
748 1 41 LEU HA 1 41 LEU QD 3.100 . 3.900 2.645 2.456 2.834 . 0 0 "[ . 1 . 2]" 1
749 1 41 LEU HA 1 41 LEU HG 3.500 . 4.300 2.264 2.211 2.336 . 0 0 "[ . 1 . 2]" 1
750 1 36 LEU HB3 1 41 LEU HB3 4.100 2.300 4.900 4.855 4.550 4.956 0.056 5 0 "[ . 1 . 2]" 1
751 1 36 LEU HA 1 41 LEU HB2 5.200 . 6.000 3.126 2.736 3.301 . 0 0 "[ . 1 . 2]" 1
752 1 36 LEU HB3 1 41 LEU HB2 4.000 2.300 5.300 5.160 4.754 5.318 0.018 4 0 "[ . 1 . 2]" 1
753 1 41 LEU HA 1 41 LEU MD1 3.400 . 4.200 3.646 3.539 3.711 . 0 0 "[ . 1 . 2]" 1
754 1 41 LEU HB2 1 41 LEU MD1 2.900 . 3.700 2.237 2.182 2.304 . 0 0 "[ . 1 . 2]" 1
755 1 41 LEU MD1 1 65 PHE QE 5.200 . 6.200 5.213 3.363 6.209 0.009 16 0 "[ . 1 . 2]" 1
756 1 41 LEU MD1 1 65 PHE QD 5.200 . 6.000 5.104 4.181 5.673 . 0 0 "[ . 1 . 2]" 1
757 1 36 LEU HG 1 41 LEU MD2 4.700 2.300 5.500 3.911 3.266 4.369 . 0 0 "[ . 1 . 2]" 1
758 1 41 LEU HA 1 41 LEU MD2 3.600 . 4.400 2.720 2.493 2.982 . 0 0 "[ . 1 . 2]" 1
759 1 41 LEU MD2 1 43 PRO HD2 4.000 2.300 5.500 5.480 5.315 5.581 0.081 8 0 "[ . 1 . 2]" 1
760 1 41 LEU MD2 1 65 PHE QD 5.200 . 6.000 4.858 4.006 5.730 . 0 0 "[ . 1 . 2]" 1
761 1 42 THR HA 1 42 THR HB 2.800 . 3.600 2.523 2.493 2.561 . 0 0 "[ . 1 . 2]" 1
762 1 42 THR HA 1 42 THR MG 3.400 . 3.800 2.307 2.263 2.343 . 0 0 "[ . 1 . 2]" 1
763 1 42 THR HA 1 43 PRO QD 3.300 . 4.100 2.029 1.853 2.112 . 0 0 "[ . 1 . 2]" 1
764 1 42 THR HA 1 46 LEU HB3 5.200 . 6.200 6.217 6.125 6.253 0.053 4 0 "[ . 1 . 2]" 1
765 1 42 THR HB 1 43 PRO QD 3.700 . 4.500 2.156 2.043 2.509 . 0 0 "[ . 1 . 2]" 1
766 1 42 THR MG 1 43 PRO QG 5.200 . 6.000 4.451 4.291 4.645 . 0 0 "[ . 1 . 2]" 1
767 1 43 PRO HA 1 43 PRO HB3 2.800 . 3.600 2.281 2.266 2.294 . 0 0 "[ . 1 . 2]" 1
768 1 43 PRO HA 1 43 PRO HB2 2.600 . 3.400 2.800 2.717 2.951 . 0 0 "[ . 1 . 2]" 1
769 1 43 PRO HA 1 46 LEU HB2 3.200 . 4.000 2.985 2.516 3.211 . 0 0 "[ . 1 . 2]" 1
770 1 43 PRO HA 1 46 LEU QD 4.100 . 4.900 3.169 2.866 3.364 . 0 0 "[ . 1 . 2]" 1
771 1 42 THR HA 1 43 PRO HD3 3.100 . 3.900 2.245 1.874 2.450 . 0 0 "[ . 1 . 2]" 1
772 1 42 THR HB 1 43 PRO HD3 3.500 2.300 4.300 3.430 2.856 3.895 . 0 0 "[ . 1 . 2]" 1
773 1 43 PRO HB3 1 43 PRO HD3 3.900 . 4.700 3.280 2.944 4.035 . 0 0 "[ . 1 . 2]" 1
774 1 36 LEU MD2 1 43 PRO HD2 4.700 2.300 6.200 6.088 5.770 6.212 0.012 3 0 "[ . 1 . 2]" 1
775 1 42 THR MG 1 43 PRO HD2 4.200 . 5.000 3.056 2.826 3.457 . 0 0 "[ . 1 . 2]" 1
776 1 42 THR HB 1 43 PRO QG 4.800 2.300 5.600 3.786 3.453 4.318 . 0 0 "[ . 1 . 2]" 1
777 1 44 ALA HA 1 47 GLN QB 3.200 . 4.000 3.240 3.066 3.568 . 0 0 "[ . 1 . 2]" 1
778 1 44 ALA MB 1 45 GLU HA 3.800 2.300 4.800 3.859 3.837 3.878 . 0 0 "[ . 1 . 2]" 1
779 1 45 GLU HA 1 65 PHE QD 5.200 . 6.200 5.734 5.225 6.252 0.052 19 0 "[ . 1 . 2]" 1
780 1 45 GLU HA 1 65 PHE QE 3.800 . 4.600 4.023 3.715 4.435 . 0 0 "[ . 1 . 2]" 1
781 1 46 LEU HA 1 46 LEU QD 2.800 . 3.600 2.759 2.162 2.987 . 0 0 "[ . 1 . 2]" 1
782 1 47 GLN HA 1 47 GLN QG 3.500 . 4.300 2.506 2.428 2.592 . 0 0 "[ . 1 . 2]" 1
783 1 47 GLN HA 1 50 LEU HB3 2.700 . 3.500 2.753 2.644 2.878 . 0 0 "[ . 1 . 2]" 1
784 1 48 GLU HA 1 48 GLU HB3 2.600 . 3.400 2.823 2.634 2.994 . 0 0 "[ . 1 . 2]" 1
785 1 48 GLU HA 1 48 GLU HB2 2.400 . 3.200 2.809 2.625 2.983 . 0 0 "[ . 1 . 2]" 1
786 1 48 GLU HA 1 48 GLU QG 3.300 . 4.100 2.300 2.184 2.518 . 0 0 "[ . 1 . 2]" 1
787 1 48 GLU HB3 1 65 PHE QE 4.100 . 4.900 4.485 3.919 4.903 0.003 2 0 "[ . 1 . 2]" 1
788 1 48 GLU HB2 1 65 PHE QE 4.200 . 5.500 4.843 3.958 5.528 0.028 13 0 "[ . 1 . 2]" 1
789 1 48 GLU QG 1 65 PHE QE 5.200 . 6.000 5.577 4.939 6.053 0.053 19 0 "[ . 1 . 2]" 1
790 1 49 VAL HA 1 49 VAL MG1 3.300 . 3.900 3.213 3.208 3.216 . 0 0 "[ . 1 . 2]" 1
791 1 49 VAL HA 1 52 LEU MD2 3.100 . 3.900 2.235 1.994 2.516 . 0 0 "[ . 1 . 2]" 1
792 1 46 LEU HA 1 49 VAL MG1 3.200 . 4.000 2.516 2.263 2.730 . 0 0 "[ . 1 . 2]" 1
793 1 49 VAL MG1 1 65 PHE QD 3.800 . 5.100 4.014 3.612 4.388 . 0 0 "[ . 1 . 2]" 1
794 1 49 VAL MG1 1 65 PHE QE 3.200 . 4.000 3.089 2.187 3.933 . 0 0 "[ . 1 . 2]" 1
795 1 49 VAL HA 1 49 VAL MG2 3.100 . 3.900 2.409 2.373 2.472 . 0 0 "[ . 1 . 2]" 1
796 1 49 VAL MG2 1 58 GLN HA 3.000 . 3.800 2.154 2.085 2.244 . 0 0 "[ . 1 . 2]" 1
797 1 50 LEU HA 1 50 LEU HB3 2.600 . 3.400 3.005 3.001 3.008 . 0 0 "[ . 1 . 2]" 1
798 1 50 LEU HA 1 50 LEU HB2 2.700 . 3.500 2.540 2.502 2.579 . 0 0 "[ . 1 . 2]" 1
799 1 50 LEU HA 1 50 LEU MD2 2.700 . 4.000 3.798 3.357 3.864 . 0 0 "[ . 1 . 2]" 1
800 1 50 LEU HB2 1 50 LEU QD 3.000 . 3.800 2.088 2.082 2.107 . 0 0 "[ . 1 . 2]" 1
801 1 48 GLU HA 1 51 ASP QB 3.600 . 4.600 3.055 2.540 3.299 . 0 0 "[ . 1 . 2]" 1
802 1 52 LEU HA 1 52 LEU MD1 3.300 2.300 4.600 3.830 3.072 4.095 . 0 0 "[ . 1 . 2]" 1
803 1 52 LEU HA 1 52 LEU HB3 2.800 . 4.100 2.282 2.210 2.311 . 0 0 "[ . 1 . 2]" 1
804 1 52 LEU HA 1 53 LYS HA 5.200 . 6.000 4.364 4.340 4.378 . 0 0 "[ . 1 . 2]" 1
805 1 52 LEU HB2 1 52 LEU MD2 3.300 . 4.600 2.710 2.363 3.120 . 0 0 "[ . 1 . 2]" 1
806 1 52 LEU HA 1 52 LEU MD2 3.800 . 5.100 3.834 2.927 3.932 . 0 0 "[ . 1 . 2]" 1
807 1 52 LEU MD2 1 58 GLN HG3 3.600 . 5.600 5.548 4.944 5.639 0.039 10 0 "[ . 1 . 2]" 1
808 1 52 LEU MD2 1 58 GLN HA 3.300 . 5.100 4.105 3.709 4.330 . 0 0 "[ . 1 . 2]" 1
809 1 52 LEU MD2 1 65 PHE QE 5.200 . 6.200 5.791 5.319 6.239 0.039 1 0 "[ . 1 . 2]" 1
810 1 54 THR HA 1 54 THR HB 2.800 . 3.600 2.625 2.591 2.663 . 0 0 "[ . 1 . 2]" 1
811 1 54 THR HA 1 54 THR MG 3.300 . 3.900 2.202 2.179 2.236 . 0 0 "[ . 1 . 2]" 1
812 1 54 THR HA 1 55 PRO QD 3.000 . 3.800 1.893 1.835 1.980 . 0 0 "[ . 1 . 2]" 1
813 1 54 THR HB 1 55 PRO QD 3.900 2.300 4.700 3.325 2.544 3.548 . 0 0 "[ . 1 . 2]" 1
814 1 54 THR MG 1 55 PRO QD 3.000 . 4.300 3.095 2.707 3.253 . 0 0 "[ . 1 . 2]" 1
815 1 55 PRO HA 1 55 PRO HB3 2.700 . 3.500 2.292 2.285 2.297 . 0 0 "[ . 1 . 2]" 1
816 1 55 PRO HA 1 58 GLN HB3 3.500 . 4.300 4.136 3.697 4.307 0.007 20 0 "[ . 1 . 2]" 1
817 1 55 PRO HA 1 58 GLN HB2 3.000 . 3.800 2.668 2.267 2.836 . 0 0 "[ . 1 . 2]" 1
818 1 54 THR HB 1 55 PRO HB3 5.700 2.300 6.500 6.325 5.753 6.498 . 0 0 "[ . 1 . 2]" 1
819 1 56 GLU HA 1 56 GLU HB2 2.800 . 3.600 3.011 3.005 3.022 . 0 0 "[ . 1 . 2]" 1
820 1 56 GLU HA 1 56 GLU HG3 3.200 . 3.900 2.988 2.914 3.719 . 0 0 "[ . 1 . 2]" 1
821 1 56 GLU HA 1 59 ALA MB 3.600 . 5.100 3.491 3.262 3.841 . 0 0 "[ . 1 . 2]" 1
822 1 56 GLU HB2 1 56 GLU HG3 2.600 . 3.400 2.433 2.310 2.449 . 0 0 "[ . 1 . 2]" 1
823 1 56 GLU HA 1 56 GLU HG2 2.600 . 3.400 2.487 2.438 2.704 . 0 0 "[ . 1 . 2]" 1
824 1 58 GLN HA 1 58 GLN HG3 3.200 . 4.000 3.596 3.503 3.742 . 0 0 "[ . 1 . 2]" 1
825 1 58 GLN HA 1 58 GLN HB2 2.700 . 3.500 3.022 3.018 3.027 . 0 0 "[ . 1 . 2]" 1
826 1 22 ILE MD 1 59 ALA MB 3.000 2.300 4.300 4.281 3.643 4.358 0.058 5 0 "[ . 1 . 2]" 1
827 1 60 LYS HA 1 60 LYS HG2 3.600 . 4.400 2.568 2.169 2.820 . 0 0 "[ . 1 . 2]" 1
828 1 60 LYS HG2 1 63 ILE MG 4.600 2.300 5.600 5.483 4.998 5.622 0.022 17 0 "[ . 1 . 2]" 1
829 1 49 VAL MG1 1 61 LYS HA 4.400 2.300 5.700 5.767 5.735 5.808 0.108 5 0 "[ . 1 . 2]" 1
830 1 61 LYS HA 1 64 ASP HB3 3.000 . 3.800 3.562 3.014 3.766 . 0 0 "[ . 1 . 2]" 1
831 1 61 LYS HA 1 64 ASP HB2 3.400 . 4.700 2.634 2.393 3.219 . 0 0 "[ . 1 . 2]" 1
832 1 49 VAL MG1 1 61 LYS HB3 4.000 . 5.300 3.520 3.414 3.606 . 0 0 "[ . 1 . 2]" 1
833 1 52 LEU MD2 1 61 LYS HB3 3.700 . 4.700 4.666 4.533 4.727 0.027 16 0 "[ . 1 . 2]" 1
834 1 49 VAL MG1 1 61 LYS HB2 3.900 . 5.200 4.270 4.058 4.660 . 0 0 "[ . 1 . 2]" 1
835 1 52 LEU MD2 1 61 LYS HB2 3.600 . 4.400 4.173 3.824 4.440 0.040 14 0 "[ . 1 . 2]" 1
836 1 61 LYS HA 1 61 LYS QD 3.300 . 4.100 2.343 2.222 2.544 . 0 0 "[ . 1 . 2]" 1
837 1 61 LYS QD 1 65 PHE QD 5.200 . 6.200 4.218 3.169 5.890 . 0 0 "[ . 1 . 2]" 1
838 1 52 LEU QD 1 61 LYS HE3 4.100 . 5.400 3.210 2.233 4.140 . 0 0 "[ . 1 . 2]" 1
839 1 61 LYS HA 1 61 LYS HE3 3.600 . 4.400 4.022 3.383 4.378 . 0 0 "[ . 1 . 2]" 1
840 1 61 LYS HE3 1 65 PHE QE 5.200 . 6.000 5.431 4.668 6.017 0.017 19 0 "[ . 1 . 2]" 1
841 1 52 LEU QD 1 61 LYS HE2 3.800 . 4.600 3.546 2.261 4.164 . 0 0 "[ . 1 . 2]" 1
842 1 61 LYS HA 1 61 LYS HE2 4.200 . 5.000 4.278 3.278 4.841 . 0 0 "[ . 1 . 2]" 1
843 1 62 LEU HA 1 62 LEU HB3 2.900 . 3.700 2.984 2.964 3.000 . 0 0 "[ . 1 . 2]" 1
844 1 62 LEU HA 1 62 LEU HB2 2.700 . 3.500 2.586 2.545 2.642 . 0 0 "[ . 1 . 2]" 1
845 1 62 LEU HA 1 62 LEU MD1 2.800 . 3.800 2.482 2.283 3.426 . 0 0 "[ . 1 . 2]" 1
846 1 62 LEU HA 1 65 PHE QB 5.200 . 6.000 2.474 2.209 2.657 . 0 0 "[ . 1 . 2]" 1
847 1 62 LEU HA 1 65 PHE QD 4.100 . 4.900 3.024 2.376 3.726 . 0 0 "[ . 1 . 2]" 1
848 1 63 ILE HA 1 63 ILE MD 3.900 2.300 4.900 3.968 3.883 4.160 . 0 0 "[ . 1 . 2]" 1
849 1 63 ILE HA 1 63 ILE MG 3.300 . 4.100 2.321 2.153 2.403 . 0 0 "[ . 1 . 2]" 1
850 1 60 LYS HA 1 63 ILE HB 3.700 . 4.500 3.486 2.782 4.554 0.054 18 0 "[ . 1 . 2]" 1
851 1 19 LEU HA 1 63 ILE MD 3.500 . 4.800 3.408 2.536 4.785 . 0 0 "[ . 1 . 2]" 1
852 1 63 ILE HG13 1 63 ILE MG 3.200 . 4.000 3.144 3.111 3.172 . 0 0 "[ . 1 . 2]" 1
853 1 63 ILE MG 1 64 ASP HA . . 5.100 4.094 3.627 5.253 0.153 16 0 "[ . 1 . 2]" 1
854 1 63 ILE MG 1 67 LEU MD2 3.700 2.300 4.500 3.518 2.543 4.505 0.005 17 0 "[ . 1 . 2]" 1
855 1 64 ASP HA 1 64 ASP HB3 2.900 . 3.700 2.793 2.702 2.982 . 0 0 "[ . 1 . 2]" 1
856 1 64 ASP HA 1 64 ASP HB2 2.800 . 3.600 2.888 2.670 2.968 . 0 0 "[ . 1 . 2]" 1
857 1 64 ASP HA 1 67 LEU MD2 5.000 . 6.000 4.341 3.783 5.064 . 0 0 "[ . 1 . 2]" 1
858 1 65 PHE HA 1 65 PHE QD 3.300 . 4.100 2.307 1.874 3.004 . 0 0 "[ . 1 . 2]" 1
859 1 65 PHE HA 1 65 PHE QE 5.200 . 6.000 4.246 4.106 4.463 . 0 0 "[ . 1 . 2]" 1
860 1 65 PHE HA 1 68 LYS QB 5.200 . 6.000 3.367 3.015 3.761 . 0 0 "[ . 1 . 2]" 1
861 1 66 ILE HA 1 69 LEU QD 3.000 . 3.800 2.859 2.280 3.766 . 0 0 "[ . 1 . 2]" 1
862 1 66 ILE HA 1 66 ILE MG 3.200 . 4.000 2.256 2.214 2.298 . 0 0 "[ . 1 . 2]" 1
863 1 66 ILE MG 1 74 VAL HA 3.700 . 4.500 3.733 3.306 4.195 . 0 0 "[ . 1 . 2]" 1
864 1 66 ILE MG 1 74 VAL MG1 3.100 . 4.100 2.829 2.139 3.582 . 0 0 "[ . 1 . 2]" 1
865 1 66 ILE MG 1 77 ARG HD2 4.200 . 5.000 2.614 2.153 4.041 . 0 0 "[ . 1 . 2]" 1
866 1 66 ILE MG 1 77 ARG QD 4.300 . 5.100 2.262 1.992 2.973 . 0 0 "[ . 1 . 2]" 1
867 1 15 LEU QD 1 67 LEU HA 4.500 . 5.800 5.841 5.807 5.862 0.062 16 0 "[ . 1 . 2]" 1
868 1 67 LEU HA 1 67 LEU HB3 2.900 . 3.700 2.971 2.953 2.989 . 0 0 "[ . 1 . 2]" 1
869 1 67 LEU HA 1 67 LEU HB2 2.900 . 3.700 2.644 2.603 2.678 . 0 0 "[ . 1 . 2]" 1
870 1 67 LEU HA 1 67 LEU MD1 3.200 . 3.800 2.239 2.169 2.316 . 0 0 "[ . 1 . 2]" 1
871 1 67 LEU MD1 1 67 LEU MD2 2.900 . 3.700 2.087 2.084 2.090 . 0 0 "[ . 1 . 2]" 1
872 1 67 LEU MD1 1 96 TYR QD 4.000 . 6.500 4.422 2.672 6.235 . 0 0 "[ . 1 . 2]" 1
873 1 66 ILE MD 1 67 LEU MD1 2.900 . 3.900 2.626 2.460 3.023 . 0 0 "[ . 1 . 2]" 1
874 1 67 LEU MD1 1 93 LEU HB2 3.000 . 5.000 4.974 4.585 5.041 0.041 4 0 "[ . 1 . 2]" 1
875 1 67 LEU HB3 1 67 LEU MD2 3.300 . 4.100 2.203 2.182 2.216 . 0 0 "[ . 1 . 2]" 1
876 1 69 LEU HA 1 69 LEU HB2 2.900 . 3.700 2.995 2.939 3.008 . 0 0 "[ . 1 . 2]" 1
877 1 69 LEU HA 1 69 LEU QD 3.200 . 3.400 2.193 1.899 2.732 . 0 0 "[ . 1 . 2]" 1
878 1 69 LEU HA 1 74 VAL MG1 4.700 2.300 6.200 5.780 5.405 6.137 . 0 0 "[ . 1 . 2]" 1
879 1 69 LEU QD 1 73 ASP HB3 3.600 . 4.400 2.672 2.198 3.844 . 0 0 "[ . 1 . 2]" 1
880 1 69 LEU QD 1 73 ASP HB2 3.700 . 4.500 3.138 2.882 3.708 . 0 0 "[ . 1 . 2]" 1
881 1 71 PRO HA 1 74 VAL MG1 3.700 . 4.500 3.990 3.596 4.132 . 0 0 "[ . 1 . 2]" 1
882 1 71 PRO HA 1 97 LEU MD1 3.700 . 4.500 3.257 2.331 4.391 . 0 0 "[ . 1 . 2]" 1
883 1 72 ALA HA 1 75 GLN QB 3.300 . 4.100 2.723 2.558 3.035 . 0 0 "[ . 1 . 2]" 1
884 1 73 ASP HA 1 73 ASP HB2 3.000 . 3.800 2.837 2.627 3.018 . 0 0 "[ . 1 . 2]" 1
885 1 73 ASP HA 1 76 ALA MB 3.400 . 4.400 3.917 3.668 4.060 . 0 0 "[ . 1 . 2]" 1
886 1 74 VAL HA 1 74 VAL MG1 3.500 . 4.100 2.236 2.202 2.272 . 0 0 "[ . 1 . 2]" 1
887 1 74 VAL HA 1 74 VAL MG2 3.300 . 4.000 3.196 3.183 3.206 . 0 0 "[ . 1 . 2]" 1
888 1 74 VAL HA 1 77 ARG QG 4.300 . 5.600 3.613 2.637 5.423 . 0 0 "[ . 1 . 2]" 1
889 1 74 VAL HA 1 77 ARG HB3 5.200 . 6.000 4.197 3.235 4.578 . 0 0 "[ . 1 . 2]" 1
890 1 74 VAL HA 1 77 ARG HD3 5.200 . 6.000 4.411 2.318 5.931 . 0 0 "[ . 1 . 2]" 1
891 1 74 VAL HA 1 77 ARG HD2 5.200 . 6.000 3.938 2.302 5.685 . 0 0 "[ . 1 . 2]" 1
892 1 67 LEU MD1 1 74 VAL MG1 4.200 2.300 5.000 4.132 3.192 4.492 . 0 0 "[ . 1 . 2]" 1
893 1 74 VAL MG1 1 74 VAL MG2 2.200 . 3.200 2.085 2.079 2.090 . 0 0 "[ . 1 . 2]" 1
894 1 67 LEU HA 1 74 VAL MG2 4.000 . 5.500 5.350 4.550 5.517 0.017 9 0 "[ . 1 . 2]" 1
895 1 67 LEU MD1 1 74 VAL MG2 4.000 2.300 5.300 5.221 4.367 5.307 0.007 1 0 "[ . 1 . 2]" 1
896 1 75 GLN HA 1 75 GLN QG 3.700 . 4.500 2.407 2.161 2.519 . 0 0 "[ . 1 . 2]" 1
897 1 76 ALA HA 1 79 ASN QB 3.200 . 4.000 2.910 2.596 4.041 0.041 1 0 "[ . 1 . 2]" 1
898 1 40 LEU MD2 1 76 ALA MB 3.000 . 4.500 4.343 4.021 4.541 0.041 4 0 "[ . 1 . 2]" 1
899 1 73 ASP HB3 1 76 ALA MB 5.200 . 6.200 5.488 5.054 5.960 . 0 0 "[ . 1 . 2]" 1
900 1 76 ALA MB 1 77 ARG HA 4.100 . 4.900 3.879 3.832 3.910 . 0 0 "[ . 1 . 2]" 1
901 1 76 ALA MB 1 79 ASN QB 4.200 . 5.500 4.105 3.802 5.191 . 0 0 "[ . 1 . 2]" 1
902 1 77 ARG HA 1 77 ARG QG 3.500 . 4.300 2.340 2.138 2.576 . 0 0 "[ . 1 . 2]" 1
903 1 77 ARG HA 1 80 VAL QG 4.000 . 5.300 2.137 2.042 2.245 . 0 0 "[ . 1 . 2]" 1
904 1 78 ILE HA 1 78 ILE MG 3.500 . 4.000 2.453 2.419 2.493 . 0 0 "[ . 1 . 2]" 1
905 1 78 ILE HA 1 81 LEU MD2 3.700 . 4.500 3.318 2.844 3.577 . 0 0 "[ . 1 . 2]" 1
906 1 78 ILE HA 1 90 ALA MB 4.300 . 4.500 3.169 2.742 3.447 . 0 0 "[ . 1 . 2]" 1
907 1 78 ILE HA 1 93 LEU HG 4.100 2.300 5.700 5.696 5.658 5.714 0.014 3 0 "[ . 1 . 2]" 1
908 1 75 GLN HA 1 78 ILE HB 3.700 2.300 4.500 2.977 2.477 3.281 . 0 0 "[ . 1 . 2]" 1
909 1 75 GLN HA 1 78 ILE MD 3.200 . 4.000 2.102 1.979 2.184 . 0 0 "[ . 1 . 2]" 1
910 1 78 ILE HA 1 78 ILE MD 4.400 2.300 5.200 3.868 3.851 3.894 . 0 0 "[ . 1 . 2]" 1
911 1 78 ILE MD 1 94 ASN HA 3.500 . 4.200 3.572 3.266 3.927 . 0 0 "[ . 1 . 2]" 1
912 1 78 ILE MD 1 94 ASN HB3 5.200 . 5.400 5.151 4.836 5.375 . 0 0 "[ . 1 . 2]" 1
913 1 78 ILE MD 1 94 ASN HB2 4.000 . 4.800 4.085 3.716 4.341 . 0 0 "[ . 1 . 2]" 1
914 1 78 ILE MD 1 78 ILE MG 2.600 . 3.400 2.358 2.255 2.482 . 0 0 "[ . 1 . 2]" 1
915 1 78 ILE MG 1 79 ASN HA 3.700 . 4.700 3.563 3.402 3.645 . 0 0 "[ . 1 . 2]" 1
916 1 78 ILE MG 1 90 ALA HA 3.200 . 4.000 3.654 3.062 3.836 . 0 0 "[ . 1 . 2]" 1
917 1 78 ILE MG 1 90 ALA MB 3.300 2.300 4.100 2.318 2.285 2.569 0.015 20 0 "[ . 1 . 2]" 1
918 1 78 ILE MG 1 93 LEU HG 3.700 2.300 5.000 4.853 4.525 5.031 0.031 4 0 "[ . 1 . 2]" 1
919 1 78 ILE MG 1 94 ASN HB3 5.200 . 5.500 4.622 4.372 4.819 . 0 0 "[ . 1 . 2]" 1
920 1 78 ILE MG 1 94 ASN HB2 4.000 . 4.800 3.405 3.167 3.598 . 0 0 "[ . 1 . 2]" 1
921 1 78 ILE HB 1 79 ASN HA 5.200 . 6.000 4.359 4.321 4.407 . 0 0 "[ . 1 . 2]" 1
922 1 79 ASN HA 1 82 ARG QB 3.600 . 4.400 3.293 2.997 3.641 . 0 0 "[ . 1 . 2]" 1
923 1 79 ASN HA 1 82 ARG HG2 3.800 . 5.100 4.765 4.150 5.116 0.016 8 0 "[ . 1 . 2]" 1
924 1 80 VAL HA 1 80 VAL MG1 3.100 . 3.500 2.636 2.222 3.219 . 0 0 "[ . 1 . 2]" 1
925 1 80 VAL HA 1 80 VAL MG2 3.300 . 4.100 2.837 2.255 3.203 . 0 0 "[ . 1 . 2]" 1
926 1 80 VAL HA 1 83 ALA MB 3.400 . 4.200 3.098 2.907 3.272 . 0 0 "[ . 1 . 2]" 1
927 1 80 VAL QG 1 86 TYR QD 5.200 . 6.000 5.405 4.782 5.720 . 0 0 "[ . 1 . 2]" 1
928 1 30 LYS QE 1 80 VAL QG 4.000 2.300 6.000 5.992 5.872 6.050 0.050 4 0 "[ . 1 . 2]" 1
929 1 80 VAL MG2 1 86 TYR QD 4.000 . 6.000 5.794 5.280 6.006 0.006 4 0 "[ . 1 . 2]" 1
930 1 81 LEU HA 1 81 LEU MD1 2.700 . 3.500 2.045 1.996 2.083 . 0 0 "[ . 1 . 2]" 1
931 1 81 LEU HA 1 86 TYR QD 4.000 . 4.800 3.608 3.322 3.941 . 0 0 "[ . 1 . 2]" 1
932 1 81 LEU MD1 1 86 TYR QD 3.800 . 4.600 3.272 3.026 3.469 . 0 0 "[ . 1 . 2]" 1
933 1 81 LEU MD1 1 86 TYR QE 5.200 . 6.000 4.559 4.362 4.676 . 0 0 "[ . 1 . 2]" 1
934 1 81 LEU MD1 1 86 TYR HA 5.200 . 6.000 4.886 4.753 5.074 . 0 0 "[ . 1 . 2]" 1
935 1 81 LEU HB3 1 81 LEU MD2 3.300 . 4.100 2.309 2.248 2.353 . 0 0 "[ . 1 . 2]" 1
936 1 81 LEU MD2 1 86 TYR HB2 5.200 . 6.000 3.560 3.304 3.659 . 0 0 "[ . 1 . 2]" 1
937 1 81 LEU MD2 1 90 ALA HA 4.100 . 4.900 2.300 2.218 2.391 . 0 0 "[ . 1 . 2]" 1
938 1 81 LEU MD2 1 90 ALA MB 3.300 . 4.000 2.212 2.110 2.335 . 0 0 "[ . 1 . 2]" 1
939 1 81 LEU HB3 1 82 ARG HA 5.200 . 6.000 3.916 3.862 3.980 . 0 0 "[ . 1 . 2]" 1
940 1 82 ARG HA 1 82 ARG HG3 3.100 . 3.900 3.235 2.258 3.736 . 0 0 "[ . 1 . 2]" 1
941 1 82 ARG HA 1 82 ARG HG2 2.800 . 3.600 2.931 2.344 3.602 0.002 15 0 "[ . 1 . 2]" 1
942 1 82 ARG HA 1 87 GLN HA 3.600 2.300 4.400 2.539 2.295 2.842 0.005 9 0 "[ . 1 . 2]" 1
943 1 82 ARG HA 1 87 GLN QG . . 4.800 2.368 2.170 4.168 . 0 0 "[ . 1 . 2]" 1
944 1 82 ARG QB 1 82 ARG HD3 3.500 . 4.300 2.683 2.263 3.414 . 0 0 "[ . 1 . 2]" 1
945 1 82 ARG HD3 1 82 ARG HG2 2.900 . 3.700 2.453 2.350 3.002 . 0 0 "[ . 1 . 2]" 1
946 1 82 ARG HG2 1 87 GLN HA 5.200 . 6.000 4.149 3.087 5.571 . 0 0 "[ . 1 . 2]" 1
947 1 84 HIS HB3 1 86 TYR QD 5.200 . 6.000 2.297 2.035 2.455 . 0 0 "[ . 1 . 2]" 1
948 1 84 HIS HB2 1 86 TYR QD 5.200 . 6.000 2.847 2.581 3.746 . 0 0 "[ . 1 . 2]" 1
949 1 86 TYR HA 1 86 TYR QD 3.700 . 4.500 2.942 2.608 3.138 . 0 0 "[ . 1 . 2]" 1
950 1 86 TYR HA 1 86 TYR QE 5.200 . 6.000 4.637 4.536 4.696 . 0 0 "[ . 1 . 2]" 1
951 1 81 LEU MD1 1 86 TYR HB3 5.200 . 6.000 2.960 2.790 3.208 . 0 0 "[ . 1 . 2]" 1
952 1 81 LEU MD1 1 86 TYR HB2 5.200 . 6.000 2.481 2.330 2.644 . 0 0 "[ . 1 . 2]" 1
953 1 87 GLN HA 1 87 GLN QG 3.500 . 3.900 2.415 2.155 3.324 . 0 0 "[ . 1 . 2]" 1
954 1 87 GLN HA 1 90 ALA MB 3.200 . 4.000 2.565 2.416 2.796 . 0 0 "[ . 1 . 2]" 1
955 1 87 GLN QB 1 87 GLN QG 2.200 . 3.000 2.081 2.015 2.086 . 0 0 "[ . 1 . 2]" 1
956 1 87 GLN QG 1 90 ALA MB 4.100 2.300 5.100 4.000 3.762 4.943 . 0 0 "[ . 1 . 2]" 1
957 1 88 ALA HA 1 91 ASP HB2 3.300 . 4.300 3.378 3.243 3.514 . 0 0 "[ . 1 . 2]" 1
958 1 89 LEU HA 1 89 LEU HB2 2.900 . 3.900 2.993 2.972 3.001 . 0 0 "[ . 1 . 2]" 1
959 1 81 LEU QD 1 90 ALA HA 3.300 . 4.100 2.296 2.215 2.385 . 0 0 "[ . 1 . 2]" 1
960 1 82 ARG HD3 1 90 ALA HA 5.700 2.300 6.500 5.686 5.037 6.176 . 0 0 "[ . 1 . 2]" 1
961 1 90 ALA HA 1 93 LEU HB2 4.000 . 5.500 5.107 3.552 5.446 . 0 0 "[ . 1 . 2]" 1
962 1 90 ALA MB 1 94 ASN QB 4.000 . 6.000 3.951 3.807 4.118 . 0 0 "[ . 1 . 2]" 1
963 1 81 LEU HB3 1 90 ALA MB 3.200 . 4.000 2.126 2.031 2.230 . 0 0 "[ . 1 . 2]" 1
964 1 82 ARG HA 1 90 ALA MB 3.600 . 4.400 3.297 3.081 3.634 . 0 0 "[ . 1 . 2]" 1
965 1 82 ARG HD2 1 90 ALA MB 4.100 . 4.900 3.193 2.154 4.233 . 0 0 "[ . 1 . 2]" 1
966 1 86 TYR HB2 1 90 ALA MB 4.300 . 5.600 4.535 4.373 4.779 . 0 0 "[ . 1 . 2]" 1
967 1 90 ALA MB 1 91 ASP HA 4.100 . 5.400 3.922 3.842 3.966 . 0 0 "[ . 1 . 2]" 1
968 1 91 ASP HA 1 94 ASN HB3 2.400 . 3.700 3.227 3.085 3.316 . 0 0 "[ . 1 . 2]" 1
969 1 88 ALA HA 1 91 ASP HB3 3.500 . 4.800 3.687 3.522 3.975 . 0 0 "[ . 1 . 2]" 1
970 1 92 LYS HA 1 92 LYS HB2 2.900 . 3.700 2.956 2.666 3.012 . 0 0 "[ . 1 . 2]" 1
971 1 92 LYS HA 1 92 LYS QD 3.800 . 4.600 3.803 2.362 3.979 . 0 0 "[ . 1 . 2]" 1
972 1 90 ALA HA 1 93 LEU QD 4.600 . 5.400 2.262 2.145 2.589 . 0 0 "[ . 1 . 2]" 1
973 1 78 ILE MG 1 94 ASN HA 3.400 . 4.700 4.624 4.268 4.745 0.045 3 0 "[ . 1 . 2]" 1
974 1 94 ASN HA 1 97 LEU HB3 3.200 . 4.500 2.778 2.355 4.261 . 0 0 "[ . 1 . 2]" 1
975 1 94 ASN HA 1 97 LEU HB2 3.700 . 5.000 3.617 3.047 5.049 0.049 14 0 "[ . 1 . 2]" 1
976 1 94 ASN HA 1 94 ASN HB3 2.500 . 3.300 2.986 2.982 2.993 . 0 0 "[ . 1 . 2]" 1
977 1 78 ILE QG 1 94 ASN HB2 4.200 . 5.000 3.783 3.211 4.416 . 0 0 "[ . 1 . 2]" 1
978 1 94 ASN HA 1 94 ASN HB2 2.500 . 3.300 2.634 2.613 2.644 . 0 0 "[ . 1 . 2]" 1
979 1 95 LYS HA 1 97 LEU MD2 4.100 2.300 5.400 5.442 5.394 5.455 0.055 19 0 "[ . 1 . 2]" 1
980 1 95 LYS HA 1 98 THR HB 3.300 . 4.100 3.784 3.304 4.101 0.001 1 0 "[ . 1 . 2]" 1
981 1 95 LYS HE3 1 99 LEU MD1 4.700 2.300 5.500 5.156 3.142 5.517 0.017 3 0 "[ . 1 . 2]" 1
982 1 93 LEU HA 1 96 TYR HB2 5.200 . 6.000 3.159 2.679 3.499 . 0 0 "[ . 1 . 2]" 1
983 1 96 TYR QD 1 97 LEU HA 5.700 2.300 6.500 4.889 3.752 5.886 . 0 0 "[ . 1 . 2]" 1
984 1 97 LEU HA 1 97 LEU HB3 2.800 . 3.600 2.949 2.435 3.008 . 0 0 "[ . 1 . 2]" 1
985 1 97 LEU HA 1 97 LEU HB2 3.000 . 3.800 2.381 2.363 2.406 . 0 0 "[ . 1 . 2]" 1
986 1 97 LEU HA 1 97 LEU MD1 2.900 . 3.700 2.852 2.521 3.719 0.019 14 0 "[ . 1 . 2]" 1
987 1 94 ASN HA 1 97 LEU MD2 3.700 . 4.500 2.830 1.895 2.976 . 0 0 "[ . 1 . 2]" 1
988 1 97 LEU HA 1 97 LEU MD2 4.300 . 5.100 3.922 3.737 4.037 . 0 0 "[ . 1 . 2]" 1
989 1 97 LEU HB3 1 97 LEU MD2 3.300 . 4.100 2.127 2.112 2.161 . 0 0 "[ . 1 . 2]" 1
990 1 97 LEU HB2 1 97 LEU MD2 2.800 . 3.600 2.754 2.627 3.013 . 0 0 "[ . 1 . 2]" 1
991 1 98 THR HA 1 98 THR MG 3.000 . 3.600 2.237 2.210 2.266 . 0 0 "[ . 1 . 2]" 1
992 1 99 LEU HA 1 99 LEU HB3 2.900 . 3.700 2.993 2.986 3.000 . 0 0 "[ . 1 . 2]" 1
993 1 99 LEU HA 1 99 LEU MD1 3.000 . 3.700 2.345 2.230 3.416 . 0 0 "[ . 1 . 2]" 1
994 1 95 LYS HE2 1 99 LEU MD1 4.100 . 5.500 4.610 3.726 5.502 0.002 19 0 "[ . 1 . 2]" 1
995 1 96 TYR HA 1 99 LEU MD1 5.200 . 6.000 2.526 2.278 3.167 . 0 0 "[ . 1 . 2]" 1
996 1 99 LEU HB3 1 99 LEU MD1 2.800 . 3.600 3.129 2.728 3.162 . 0 0 "[ . 1 . 2]" 1
997 1 14 PHE HB3 1 99 LEU MD2 5.700 2.300 6.500 5.827 5.100 6.513 0.013 3 0 "[ . 1 . 2]" 1
998 1 14 PHE HB2 1 99 LEU MD2 5.700 2.300 6.500 5.403 4.646 6.356 . 0 0 "[ . 1 . 2]" 1
999 1 96 TYR HA 1 99 LEU MD2 3.700 . 5.000 3.581 3.090 4.481 . 0 0 "[ . 1 . 2]" 1
1000 1 98 THR MG 1 100 GLU HA 3.700 2.300 5.000 5.053 5.010 5.082 0.082 10 0 "[ . 1 . 2]" 1
1001 1 100 GLU HA 1 100 GLU QG 3.200 . 4.000 2.430 2.295 3.337 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 38
_Distance_constraint_stats_list.Viol_count 145
_Distance_constraint_stats_list.Viol_total 103.501
_Distance_constraint_stats_list.Viol_max 0.138
_Distance_constraint_stats_list.Viol_rms 0.0192
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0068
_Distance_constraint_stats_list.Viol_average_violations_only 0.0357
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 19 LEU 0.424 0.035 19 0 "[ . 1 . 2]"
1 23 ILE 0.424 0.035 19 0 "[ . 1 . 2]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLU 1.150 0.059 2 0 "[ . 1 . 2]"
1 46 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLU 2.697 0.138 7 0 "[ . 1 . 2]"
1 49 VAL 1.150 0.059 2 0 "[ . 1 . 2]"
1 50 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 LEU 2.697 0.138 7 0 "[ . 1 . 2]"
1 54 THR 0.013 0.013 5 0 "[ . 1 . 2]"
1 55 PRO 0.051 0.028 11 0 "[ . 1 . 2]"
1 56 GLU 0.015 0.011 5 0 "[ . 1 . 2]"
1 57 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 GLN 0.391 0.057 14 0 "[ . 1 . 2]"
1 59 ALA 0.051 0.028 11 0 "[ . 1 . 2]"
1 60 LYS 0.015 0.011 5 0 "[ . 1 . 2]"
1 61 LYS 0.068 0.042 16 0 "[ . 1 . 2]"
1 62 LEU 0.502 0.057 14 0 "[ . 1 . 2]"
1 63 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 PHE 0.068 0.042 16 0 "[ . 1 . 2]"
1 66 ILE 0.125 0.030 3 0 "[ . 1 . 2]"
1 67 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 LEU 0.254 0.047 4 0 "[ . 1 . 2]"
1 93 LEU 0.254 0.047 4 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 19 LEU O 1 23 ILE H 2.000 . 2.400 2.421 2.397 2.435 0.035 19 0 "[ . 1 . 2]" 2
2 1 19 LEU O 1 23 ILE N 3.000 2.600 3.400 3.292 3.267 3.334 . 0 0 "[ . 1 . 2]" 2
3 1 32 LEU O 1 36 LEU H 2.000 . 2.400 2.291 2.195 2.349 . 0 0 "[ . 1 . 2]" 2
4 1 32 LEU O 1 36 LEU N 3.000 2.600 3.400 3.193 3.100 3.298 . 0 0 "[ . 1 . 2]" 2
5 1 42 THR O 1 46 LEU H 2.000 . 2.400 2.102 1.945 2.254 . 0 0 "[ . 1 . 2]" 2
6 1 42 THR O 1 46 LEU N 3.000 2.600 3.400 2.991 2.794 3.136 . 0 0 "[ . 1 . 2]" 2
7 1 43 PRO O 1 47 GLN H 2.000 . 2.400 2.050 1.895 2.245 . 0 0 "[ . 1 . 2]" 2
8 1 43 PRO O 1 47 GLN N 3.000 2.600 3.400 3.001 2.848 3.191 . 0 0 "[ . 1 . 2]" 2
9 1 45 GLU O 1 49 VAL H 2.000 . 2.400 2.441 2.423 2.459 0.059 2 0 "[ . 1 . 2]" 2
10 1 45 GLU O 1 49 VAL N 3.000 2.600 3.400 3.416 3.387 3.429 0.029 20 0 "[ . 1 . 2]" 2
11 1 46 LEU O 1 50 LEU H 2.000 . 2.400 1.922 1.845 2.031 . 0 0 "[ . 1 . 2]" 2
12 1 46 LEU O 1 50 LEU N 3.000 2.600 3.400 2.815 2.752 2.930 . 0 0 "[ . 1 . 2]" 2
13 1 48 GLU O 1 52 LEU H 2.000 . 2.400 2.502 2.474 2.538 0.138 7 0 "[ . 1 . 2]" 2
14 1 48 GLU O 1 52 LEU N 3.000 2.600 3.400 3.433 3.408 3.465 0.065 7 0 "[ . 1 . 2]" 2
15 1 54 THR O 1 58 GLN H 2.000 . 2.400 2.122 2.011 2.413 0.013 5 0 "[ . 1 . 2]" 2
16 1 54 THR O 1 58 GLN N 3.000 2.600 3.400 3.003 2.898 3.343 . 0 0 "[ . 1 . 2]" 2
17 1 55 PRO O 1 59 ALA H 2.000 . 2.400 2.361 2.300 2.428 0.028 11 0 "[ . 1 . 2]" 2
18 1 55 PRO O 1 59 ALA N 3.000 2.600 3.400 3.328 3.258 3.400 . 0 0 "[ . 1 . 2]" 2
19 1 56 GLU O 1 60 LYS H 2.000 . 2.400 2.351 2.253 2.411 0.011 5 0 "[ . 1 . 2]" 2
20 1 56 GLU O 1 60 LYS N 3.000 2.600 3.400 3.240 3.167 3.346 . 0 0 "[ . 1 . 2]" 2
21 1 57 GLU O 1 61 LYS H 2.000 . 2.400 1.982 1.885 2.086 . 0 0 "[ . 1 . 2]" 2
22 1 57 GLU O 1 61 LYS N 3.000 2.600 3.400 2.809 2.724 2.936 . 0 0 "[ . 1 . 2]" 2
23 1 58 GLN O 1 62 LEU H 2.000 . 2.400 2.417 2.374 2.457 0.057 14 0 "[ . 1 . 2]" 2
24 1 58 GLN O 1 62 LEU N 3.000 2.600 3.400 3.279 3.151 3.376 . 0 0 "[ . 1 . 2]" 2
25 1 59 ALA O 1 63 ILE H 2.000 . 2.400 2.231 2.039 2.387 . 0 0 "[ . 1 . 2]" 2
26 1 59 ALA O 1 63 ILE N 3.000 2.600 3.400 3.197 3.011 3.362 . 0 0 "[ . 1 . 2]" 2
27 1 60 LYS O 1 64 ASP H 2.000 . 2.400 2.246 2.102 2.390 . 0 0 "[ . 1 . 2]" 2
28 1 60 LYS O 1 64 ASP N 3.000 2.600 3.400 3.050 2.973 3.164 . 0 0 "[ . 1 . 2]" 2
29 1 61 LYS O 1 65 PHE H 2.000 . 2.400 2.306 2.168 2.442 0.042 16 0 "[ . 1 . 2]" 2
30 1 61 LYS O 1 65 PHE N 3.000 2.600 3.400 2.928 2.788 3.063 . 0 0 "[ . 1 . 2]" 2
31 1 62 LEU O 1 66 ILE H 2.000 . 2.400 2.340 2.110 2.430 0.030 3 0 "[ . 1 . 2]" 2
32 1 62 LEU O 1 66 ILE N 3.000 2.600 3.400 3.133 2.953 3.294 . 0 0 "[ . 1 . 2]" 2
33 1 63 ILE O 1 67 LEU H 2.000 . 2.400 2.239 2.056 2.390 . 0 0 "[ . 1 . 2]" 2
34 1 63 ILE O 1 67 LEU N 3.000 2.600 3.400 3.102 2.946 3.294 . 0 0 "[ . 1 . 2]" 2
35 1 74 VAL O 1 78 ILE H 2.000 . 2.400 2.081 1.948 2.272 . 0 0 "[ . 1 . 2]" 2
36 1 74 VAL O 1 78 ILE N 3.000 2.600 3.400 2.964 2.832 3.137 . 0 0 "[ . 1 . 2]" 2
37 1 89 LEU O 1 93 LEU H 2.000 . 2.400 2.408 2.374 2.447 0.047 4 0 "[ . 1 . 2]" 2
38 1 89 LEU O 1 93 LEU N 3.000 2.600 3.400 3.377 3.340 3.403 0.003 16 0 "[ . 1 . 2]" 2
stop_
save_
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