NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
389889 |
1ny9   |
5706 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ny9
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 953
_Distance_constraint_stats_list.Viol_count 2287
_Distance_constraint_stats_list.Viol_total 5243.247
_Distance_constraint_stats_list.Viol_max 1.079
_Distance_constraint_stats_list.Viol_rms 0.1286
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0550
_Distance_constraint_stats_list.Viol_average_violations_only 0.2293
_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 53 ILE 0.197 0.077 4 0 "[ . 1]"
1 54 GLN 0.095 0.033 1 0 "[ . 1]"
1 55 ASP 0.026 0.020 4 0 "[ . 1]"
1 56 GLU 10.509 0.399 5 0 "[ . 1]"
1 57 ALA 6.799 0.287 7 0 "[ . 1]"
1 58 ASP 21.599 1.053 1 10 [+***-*****]
1 59 GLU 1.476 0.252 6 0 "[ . 1]"
1 60 LEU 14.062 1.053 1 10 [+***-*****]
1 61 THR 5.245 0.285 3 0 "[ . 1]"
1 62 ARG 31.583 0.536 8 4 "[ . *+-*]"
1 63 ARG 17.819 0.437 1 0 "[ . 1]"
1 64 PHE 8.268 0.253 8 0 "[ . 1]"
1 65 VAL 14.571 0.361 1 0 "[ . 1]"
1 66 ALA 16.947 0.536 8 4 "[ . *+-*]"
1 67 LEU 26.422 1.044 8 8 "[* **.**+*-]"
1 68 MET 29.335 0.542 1 3 "[+ *- 1]"
1 69 ASP 28.293 0.542 1 3 "[+ *- 1]"
1 70 ALA 11.388 0.717 7 10 [******+**-]
1 71 GLY 7.816 0.717 7 10 [******+**-]
1 72 GLU 10.728 1.044 8 8 "[* **.**+*-]"
1 73 PRO 9.122 0.315 10 0 "[ . 1]"
1 74 ALA 16.633 0.333 7 0 "[ . 1]"
1 75 ASP 20.448 0.465 10 0 "[ . 1]"
1 76 SER 19.131 1.031 8 10 [*-*****+**]
1 77 GLU 27.547 1.031 8 10 [*-*****+**]
1 78 GLY 6.143 0.378 7 0 "[ . 1]"
1 79 ALA 19.639 0.454 2 0 "[ . 1]"
1 80 MET 18.294 0.430 10 0 "[ . 1]"
1 81 ASP 24.706 0.435 5 0 "[ . 1]"
1 82 ALA 20.139 0.463 9 0 "[ . 1]"
1 83 ALA 14.790 0.438 8 0 "[ . 1]"
1 84 GLU 27.659 1.079 1 10 [+********-]
1 85 ASP 6.475 0.348 2 0 "[ . 1]"
1 86 HIS 1.840 0.186 10 0 "[ . 1]"
1 87 ARG 2.013 0.186 10 0 "[ . 1]"
1 88 GLN 2.537 0.226 7 0 "[ . 1]"
1 89 GLY 0.000 0.000 . 0 "[ . 1]"
1 90 ILE 0.581 0.091 7 0 "[ . 1]"
1 91 ALA 0.363 0.035 9 0 "[ . 1]"
1 92 ARG 5.303 0.418 6 0 "[ . 1]"
1 93 ASN 0.000 0.000 . 0 "[ . 1]"
1 99 TYR 13.818 0.360 1 0 "[ . 1]"
1 100 GLU 7.598 0.348 4 0 "[ . 1]"
1 101 MET 1.718 0.147 5 0 "[ . 1]"
1 102 HIS 7.199 0.348 4 0 "[ . 1]"
1 103 THR 3.986 0.358 1 0 "[ . 1]"
1 104 CYS 6.144 0.768 6 1 "[ .+ 1]"
1 105 LEU 2.185 0.177 8 0 "[ . 1]"
1 106 GLY 0.229 0.056 6 0 "[ . 1]"
1 107 GLU 6.250 0.292 9 0 "[ . 1]"
1 108 MET 5.641 0.334 10 0 "[ . 1]"
1 109 TYR 3.357 0.326 7 0 "[ . 1]"
1 110 VAL 3.910 0.368 2 0 "[ . 1]"
1 111 SER 0.000 0.000 . 0 "[ . 1]"
1 112 ASP 0.000 0.000 . 0 "[ . 1]"
1 113 GLU 8.749 0.453 6 0 "[ . 1]"
1 114 ARG 1.114 0.578 3 1 "[ + . 1]"
1 115 PHE 0.000 0.000 . 0 "[ . 1]"
1 116 THR 11.787 0.453 6 0 "[ . 1]"
1 117 ARG 13.854 0.491 2 0 "[ . 1]"
1 118 ASN 2.889 0.384 4 0 "[ . 1]"
1 119 ILE 8.875 0.312 8 0 "[ . 1]"
1 120 ASP 12.921 0.445 10 0 "[ . 1]"
1 121 ALA 6.866 0.445 10 0 "[ . 1]"
1 122 ALA 4.732 0.247 6 0 "[ . 1]"
1 123 LYS 12.626 0.306 8 0 "[ . 1]"
1 124 PRO 3.968 0.406 2 0 "[ . 1]"
1 125 GLY 16.179 0.474 8 0 "[ . 1]"
1 126 LEU 15.420 0.451 8 0 "[ . 1]"
1 127 ALA 2.696 0.163 2 0 "[ . 1]"
1 128 ALA 4.386 0.380 9 0 "[ . 1]"
1 129 TYR 6.748 0.380 9 0 "[ . 1]"
1 130 MET 9.000 0.414 8 0 "[ . 1]"
1 131 ARG 6.111 0.327 5 0 "[ . 1]"
1 132 ASP 9.386 0.452 5 0 "[ . 1]"
1 133 ALA 12.702 0.425 9 0 "[ . 1]"
1 134 ILE 10.812 0.384 8 0 "[ . 1]"
1 135 LEU 2.914 0.256 8 0 "[ . 1]"
1 136 ALA 20.410 0.470 8 0 "[ . 1]"
1 137 ASN 11.273 0.470 8 0 "[ . 1]"
1 138 ALA 1.561 0.358 1 0 "[ . 1]"
1 139 VAL 0.590 0.095 4 0 "[ . 1]"
1 140 ARG 13.518 0.441 7 0 "[ . 1]"
1 141 HIS 8.707 0.559 1 10 [+******-**]
1 142 THR 3.628 0.376 1 0 "[ . 1]"
1 143 PRO 0.694 0.121 9 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 54 GLN H 1 55 ASP H 2.500 . 3.200 2.112 1.874 2.158 . 0 0 "[ . 1]" 1
2 1 54 GLN HA 1 55 ASP H 2.700 . 3.600 3.568 3.508 3.577 . 0 0 "[ . 1]" 1
3 1 54 GLN QB 1 55 ASP H 2.900 . 4.000 2.424 2.313 2.729 . 0 0 "[ . 1]" 1
4 1 54 GLN HE21 1 54 GLN HG3 2.400 . 3.000 2.508 2.430 2.583 . 0 0 "[ . 1]" 1
5 1 54 GLN HE21 1 54 GLN HG2 2.500 . 3.200 2.771 2.674 2.859 . 0 0 "[ . 1]" 1
6 1 54 GLN HE22 1 54 GLN HG2 2.800 . 3.700 3.703 3.666 3.733 0.033 1 0 "[ . 1]" 1
7 1 55 ASP H 1 55 ASP HA 2.400 . 3.000 2.832 2.816 2.838 . 0 0 "[ . 1]" 1
8 1 55 ASP H 1 55 ASP QB 2.400 . 3.000 2.517 2.377 2.656 . 0 0 "[ . 1]" 1
9 1 55 ASP H 1 56 GLU H 2.400 . 3.000 2.759 2.730 2.841 . 0 0 "[ . 1]" 1
10 1 55 ASP QB 1 56 GLU H 3.600 . 5.500 2.609 2.442 2.717 . 0 0 "[ . 1]" 1
11 1 56 GLU H 1 56 GLU HA 2.200 . 2.600 2.817 2.811 2.821 0.221 1 0 "[ . 1]" 1
12 1 56 GLU H 1 56 GLU HG3 2.100 . 2.400 1.884 1.818 1.939 . 0 0 "[ . 1]" 1
13 1 56 GLU H 1 56 GLU HG2 2.100 . 2.400 2.522 2.503 2.560 0.160 5 0 "[ . 1]" 1
14 1 56 GLU H 1 57 ALA H 2.300 . 2.800 2.792 2.769 2.812 0.012 5 0 "[ . 1]" 1
15 1 56 GLU H 1 57 ALA MB 4.200 . 6.600 4.469 4.440 4.496 . 0 0 "[ . 1]" 1
16 1 56 GLU HA 1 57 ALA H 2.600 . 3.400 3.549 3.546 3.554 0.154 5 0 "[ . 1]" 1
17 1 56 GLU HB2 1 57 ALA H 2.800 . 3.800 2.470 2.444 2.490 . 0 0 "[ . 1]" 1
18 1 56 GLU HB3 1 57 ALA H 3.600 . 5.500 3.776 3.750 3.795 . 0 0 "[ . 1]" 1
19 1 57 ALA H 1 57 ALA HA 2.200 . 2.600 2.880 2.872 2.887 0.287 7 0 "[ . 1]" 1
20 1 57 ALA H 1 57 ALA MB 2.600 . 3.400 2.254 2.229 2.278 . 0 0 "[ . 1]" 1
21 1 57 ALA H 1 58 ASP H 2.100 . 2.400 2.618 2.610 2.637 0.237 5 0 "[ . 1]" 1
22 1 57 ALA HA 1 58 ASP H 2.700 . 3.600 3.537 3.532 3.543 . 0 0 "[ . 1]" 1
23 1 57 ALA HA 1 60 LEU H 2.600 . 3.400 3.422 3.357 3.486 0.086 8 0 "[ . 1]" 1
24 1 58 ASP H 1 58 ASP HA 2.100 . 2.400 2.805 2.803 2.807 0.407 5 0 "[ . 1]" 1
25 1 58 ASP H 1 58 ASP HB3 2.600 . 3.400 3.577 3.573 3.581 0.181 5 0 "[ . 1]" 1
26 1 58 ASP H 1 59 GLU H 2.300 . 2.800 2.785 2.751 2.803 0.003 7 0 "[ . 1]" 1
27 1 58 ASP H 1 59 GLU HA 3.600 . 5.500 5.399 5.373 5.412 . 0 0 "[ . 1]" 1
28 1 58 ASP H 1 60 LEU QB 2.900 . 4.000 4.941 4.859 5.053 1.053 1 10 [+***-*****] 1
29 1 58 ASP HB3 1 59 GLU H 2.800 . 3.800 3.751 3.731 3.763 . 0 0 "[ . 1]" 1
30 1 58 ASP HB2 1 59 GLU H 2.400 . 3.000 2.977 2.916 3.050 0.050 1 0 "[ . 1]" 1
31 1 59 GLU H 1 59 GLU QB 2.500 . 3.200 2.266 2.199 2.369 . 0 0 "[ . 1]" 1
32 1 59 GLU H 1 59 GLU QG 3.100 . 4.400 2.850 2.237 3.989 . 0 0 "[ . 1]" 1
33 1 59 GLU H 1 60 LEU H 2.200 . 2.600 2.464 2.438 2.499 . 0 0 "[ . 1]" 1
34 1 59 GLU H 1 60 LEU HG 3.600 . 5.500 5.617 5.347 5.752 0.252 6 0 "[ . 1]" 1
35 1 59 GLU HA 1 62 ARG H 2.900 . 4.000 3.747 3.691 3.827 . 0 0 "[ . 1]" 1
36 1 59 GLU QB 1 60 LEU H 2.500 . 3.200 2.634 2.585 2.660 . 0 0 "[ . 1]" 1
37 1 59 GLU QG 1 60 LEU H 4.100 . 6.400 4.063 3.707 4.264 . 0 0 "[ . 1]" 1
38 1 60 LEU H 1 60 LEU QB 2.100 . 2.400 2.194 2.151 2.270 . 0 0 "[ . 1]" 1
39 1 60 LEU H 1 60 LEU HG 3.000 . 4.200 3.548 3.293 3.747 . 0 0 "[ . 1]" 1
40 1 60 LEU H 1 60 LEU QD 3.200 . 4.600 3.119 1.905 3.671 . 0 0 "[ . 1]" 1
41 1 60 LEU H 1 61 THR H 2.300 . 2.800 2.596 2.573 2.638 . 0 0 "[ . 1]" 1
42 1 60 LEU H 1 61 THR HB 3.000 . 4.200 4.435 4.423 4.454 0.254 7 0 "[ . 1]" 1
43 1 60 LEU QB 1 61 THR H 2.500 . 3.200 2.672 2.497 2.795 . 0 0 "[ . 1]" 1
44 1 60 LEU QD 1 85 ASP H 3.500 . 5.200 4.681 4.330 5.138 . 0 0 "[ . 1]" 1
45 1 60 LEU QD 1 86 HIS H 2.800 . 3.800 3.175 2.974 3.521 . 0 0 "[ . 1]" 1
46 1 61 THR H 1 61 THR HB 2.100 . 2.400 2.282 2.265 2.298 . 0 0 "[ . 1]" 1
47 1 61 THR H 1 62 ARG H 2.200 . 2.600 2.869 2.847 2.885 0.285 3 0 "[ . 1]" 1
48 1 61 THR HB 1 62 ARG H 2.100 . 2.400 2.420 2.404 2.437 0.037 2 0 "[ . 1]" 1
49 1 61 THR MG 1 62 ARG H 3.000 . 4.200 2.804 2.784 2.821 . 0 0 "[ . 1]" 1
50 1 62 ARG H 1 62 ARG HA 2.100 . 2.400 2.840 2.831 2.848 0.448 4 0 "[ . 1]" 1
51 1 62 ARG H 1 62 ARG HB2 2.300 . 2.800 2.395 2.305 2.456 . 0 0 "[ . 1]" 1
52 1 62 ARG H 1 62 ARG HB3 2.200 . 2.600 2.730 2.679 2.771 0.171 9 0 "[ . 1]" 1
53 1 62 ARG H 1 62 ARG HG2 3.600 . 5.500 4.480 4.465 4.501 . 0 0 "[ . 1]" 1
54 1 62 ARG H 1 62 ARG HD3 3.600 . 5.500 5.422 4.985 5.827 0.327 6 0 "[ . 1]" 1
55 1 62 ARG H 1 62 ARG HD2 3.600 . 5.500 5.096 4.802 5.473 . 0 0 "[ . 1]" 1
56 1 62 ARG H 1 63 ARG H 2.100 . 2.400 2.602 2.567 2.625 0.225 2 0 "[ . 1]" 1
57 1 62 ARG HA 1 63 ARG H 2.600 . 3.400 3.474 3.453 3.484 0.084 7 0 "[ . 1]" 1
58 1 62 ARG HA 1 65 VAL H 2.500 . 3.200 3.497 3.446 3.539 0.339 6 0 "[ . 1]" 1
59 1 62 ARG HA 1 66 ALA H 2.400 . 3.000 3.488 3.449 3.536 0.536 8 4 "[ . *+-*]" 1
60 1 63 ARG H 1 63 ARG HB2 2.100 . 2.400 2.334 2.315 2.366 . 0 0 "[ . 1]" 1
61 1 63 ARG H 1 63 ARG HB3 2.100 . 2.400 2.672 2.626 2.732 0.332 8 0 "[ . 1]" 1
62 1 63 ARG H 1 63 ARG HG2 3.000 . 4.200 4.510 4.345 4.607 0.407 2 0 "[ . 1]" 1
63 1 63 ARG H 1 63 ARG HD2 3.600 . 5.500 4.738 4.431 5.220 . 0 0 "[ . 1]" 1
64 1 63 ARG H 1 63 ARG HD3 3.300 . 4.800 4.688 4.429 5.207 0.407 4 0 "[ . 1]" 1
65 1 63 ARG H 1 64 PHE H 2.200 . 2.600 2.657 2.597 2.700 0.100 6 0 "[ . 1]" 1
66 1 63 ARG HA 1 65 VAL H 3.600 . 5.500 4.654 4.596 4.698 . 0 0 "[ . 1]" 1
67 1 63 ARG HA 1 66 ALA H 3.600 . 5.500 3.570 3.455 3.650 . 0 0 "[ . 1]" 1
68 1 63 ARG HA 1 67 LEU H 3.600 . 5.500 4.538 4.454 4.610 . 0 0 "[ . 1]" 1
69 1 63 ARG HB2 1 63 ARG HE 3.600 . 5.500 4.508 4.336 4.748 . 0 0 "[ . 1]" 1
70 1 63 ARG HB2 1 64 PHE H 2.600 . 3.400 3.614 3.592 3.642 0.242 2 0 "[ . 1]" 1
71 1 63 ARG HE 1 63 ARG HG3 2.200 . 2.600 2.701 2.438 2.867 0.267 8 0 "[ . 1]" 1
72 1 63 ARG HE 1 63 ARG HG2 2.300 . 2.800 2.462 2.320 2.669 . 0 0 "[ . 1]" 1
73 1 63 ARG HG2 1 64 PHE H 3.200 . 4.600 4.478 4.392 4.680 0.080 8 0 "[ . 1]" 1
74 1 63 ARG HD2 1 63 ARG HE 2.400 . 3.000 2.898 2.818 2.965 . 0 0 "[ . 1]" 1
75 1 63 ARG HE 1 82 ALA MB 4.200 . 6.600 3.884 3.577 4.081 . 0 0 "[ . 1]" 1
76 1 64 PHE H 1 64 PHE HA 2.300 . 2.800 2.879 2.871 2.890 0.090 5 0 "[ . 1]" 1
77 1 64 PHE H 1 64 PHE HB2 2.200 . 2.600 2.228 2.174 2.258 . 0 0 "[ . 1]" 1
78 1 64 PHE H 1 65 VAL H 2.200 . 2.600 2.593 2.569 2.617 0.017 3 0 "[ . 1]" 1
79 1 64 PHE H 1 65 VAL QG 3.500 . 5.200 4.007 3.993 4.022 . 0 0 "[ . 1]" 1
80 1 64 PHE H 1 82 ALA MB 4.200 . 6.600 4.990 4.813 5.121 . 0 0 "[ . 1]" 1
81 1 64 PHE HA 1 67 LEU H 3.200 . 4.600 3.286 3.201 3.389 . 0 0 "[ . 1]" 1
82 1 64 PHE HA 1 68 MET H 3.100 . 4.400 4.564 4.500 4.624 0.224 10 0 "[ . 1]" 1
83 1 64 PHE HB2 1 65 VAL H 2.800 . 3.700 2.707 2.675 2.804 . 0 0 "[ . 1]" 1
84 1 64 PHE HB3 1 65 VAL H 3.600 . 5.500 3.136 3.029 3.232 . 0 0 "[ . 1]" 1
85 1 64 PHE QE 1 83 ALA H 4.100 . 6.400 4.038 3.822 4.280 . 0 0 "[ . 1]" 1
86 1 65 VAL H 1 65 VAL HA 2.200 . 2.600 2.823 2.820 2.826 0.226 1 0 "[ . 1]" 1
87 1 65 VAL H 1 65 VAL HB 2.100 . 2.400 2.219 2.181 2.252 . 0 0 "[ . 1]" 1
88 1 65 VAL H 1 65 VAL QG 2.600 . 3.400 2.094 2.062 2.128 . 0 0 "[ . 1]" 1
89 1 65 VAL H 1 66 ALA H 2.100 . 2.400 2.589 2.567 2.624 0.224 4 0 "[ . 1]" 1
90 1 65 VAL H 1 66 ALA MB 4.200 . 6.600 4.302 4.262 4.342 . 0 0 "[ . 1]" 1
91 1 65 VAL H 1 67 LEU H 3.100 . 4.400 3.983 3.969 3.999 . 0 0 "[ . 1]" 1
92 1 65 VAL HA 1 66 ALA H 2.500 . 3.200 3.450 3.446 3.455 0.255 4 0 "[ . 1]" 1
93 1 65 VAL HA 1 68 MET H 2.400 . 3.000 2.945 2.921 2.962 . 0 0 "[ . 1]" 1
94 1 65 VAL HA 1 69 ASP H 2.800 . 3.800 4.119 4.104 4.161 0.361 1 0 "[ . 1]" 1
95 1 65 VAL HB 1 66 ALA H 2.100 . 2.400 2.578 2.563 2.591 0.191 7 0 "[ . 1]" 1
96 1 65 VAL QG 1 66 ALA H 2.900 . 4.000 3.068 3.027 3.101 . 0 0 "[ . 1]" 1
97 1 65 VAL QG 1 67 LEU H 4.100 . 6.400 4.368 4.348 4.395 . 0 0 "[ . 1]" 1
98 1 65 VAL QG 1 68 MET H 3.700 . 5.600 3.983 3.941 4.018 . 0 0 "[ . 1]" 1
99 1 65 VAL QG 1 69 ASP H 3.300 . 4.800 3.810 3.693 3.867 . 0 0 "[ . 1]" 1
100 1 65 VAL QG 1 123 LYS H 4.200 . 6.600 5.249 5.136 5.424 . 0 0 "[ . 1]" 1
101 1 66 ALA H 1 66 ALA MB 2.600 . 3.400 2.284 2.242 2.315 . 0 0 "[ . 1]" 1
102 1 66 ALA H 1 67 LEU H 2.100 . 2.400 2.694 2.683 2.708 0.308 10 0 "[ . 1]" 1
103 1 66 ALA H 1 67 LEU HB2 3.600 . 5.500 5.103 5.043 5.144 . 0 0 "[ . 1]" 1
104 1 66 ALA H 1 67 LEU HG 3.300 . 4.800 3.918 3.815 4.038 . 0 0 "[ . 1]" 1
105 1 66 ALA HA 1 68 MET H 3.600 . 5.500 4.364 4.338 4.396 . 0 0 "[ . 1]" 1
106 1 66 ALA HA 1 69 ASP H 2.400 . 3.000 3.295 3.226 3.329 0.329 8 0 "[ . 1]" 1
107 1 66 ALA HA 1 70 ALA H 3.200 . 4.600 4.529 4.322 4.617 0.017 8 0 "[ . 1]" 1
108 1 66 ALA MB 1 67 LEU H 2.600 . 3.400 2.665 2.633 2.733 . 0 0 "[ . 1]" 1
109 1 66 ALA MB 1 68 MET H 4.200 . 6.600 4.581 4.554 4.615 . 0 0 "[ . 1]" 1
110 1 66 ALA MB 1 69 ASP H 4.200 . 6.600 4.518 4.487 4.534 . 0 0 "[ . 1]" 1
111 1 67 LEU H 1 67 LEU HA 2.200 . 2.600 2.883 2.876 2.893 0.293 5 0 "[ . 1]" 1
112 1 67 LEU H 1 67 LEU HB2 2.100 . 2.400 2.706 2.655 2.743 0.343 3 0 "[ . 1]" 1
113 1 67 LEU H 1 67 LEU HG 2.100 . 2.400 1.805 1.758 1.877 0.042 4 0 "[ . 1]" 1
114 1 67 LEU H 1 67 LEU MD2 2.800 . 3.800 2.823 2.544 3.060 . 0 0 "[ . 1]" 1
115 1 67 LEU H 1 67 LEU MD1 2.800 . 3.800 3.473 3.453 3.508 . 0 0 "[ . 1]" 1
116 1 67 LEU H 1 68 MET H 2.100 . 2.400 2.617 2.601 2.639 0.239 7 0 "[ . 1]" 1
117 1 67 LEU H 1 69 ASP H 3.400 . 5.000 4.036 4.019 4.050 . 0 0 "[ . 1]" 1
118 1 67 LEU H 1 70 ALA MB 3.900 . 6.000 5.179 5.103 5.216 . 0 0 "[ . 1]" 1
119 1 67 LEU HA 1 68 MET H 2.500 . 3.200 3.525 3.516 3.532 0.332 7 0 "[ . 1]" 1
120 1 67 LEU HA 1 69 ASP H 3.600 . 5.500 4.312 4.273 4.374 . 0 0 "[ . 1]" 1
121 1 67 LEU HA 1 70 ALA H 3.600 . 5.500 3.360 3.261 3.441 . 0 0 "[ . 1]" 1
122 1 67 LEU HA 1 72 GLU H 3.600 . 5.500 3.943 3.728 4.226 . 0 0 "[ . 1]" 1
123 1 67 LEU HB2 1 68 MET H 2.200 . 2.600 2.477 2.412 2.523 . 0 0 "[ . 1]" 1
124 1 67 LEU MD2 1 68 MET H 4.200 . 6.600 4.443 4.312 4.526 . 0 0 "[ . 1]" 1
125 1 67 LEU MD2 1 72 GLU H 4.200 . 6.600 5.031 4.711 5.170 . 0 0 "[ . 1]" 1
126 1 67 LEU MD2 1 78 GLY H 4.400 . 7.000 5.756 5.542 5.835 . 0 0 "[ . 1]" 1
127 1 67 LEU MD2 1 79 ALA H 4.200 . 6.600 4.184 3.847 4.465 . 0 0 "[ . 1]" 1
128 1 67 LEU MD1 1 68 MET H 3.400 . 5.000 4.260 4.192 4.359 . 0 0 "[ . 1]" 1
129 1 68 MET H 1 68 MET HA 2.200 . 2.600 2.803 2.800 2.806 0.206 5 0 "[ . 1]" 1
130 1 68 MET H 1 68 MET HB2 2.100 . 2.400 2.492 2.476 2.516 0.116 9 0 "[ . 1]" 1
131 1 68 MET H 1 68 MET HG3 2.100 . 2.400 2.415 2.115 2.531 0.131 1 0 "[ . 1]" 1
132 1 68 MET H 1 68 MET HG2 2.400 . 3.000 2.979 2.956 3.021 0.021 5 0 "[ . 1]" 1
133 1 68 MET H 1 69 ASP H 2.100 . 2.400 2.657 2.645 2.661 0.261 7 0 "[ . 1]" 1
134 1 68 MET HA 1 69 ASP H 2.400 . 3.000 3.482 3.474 3.486 0.486 6 0 "[ . 1]" 1
135 1 68 MET HA 1 70 ALA H 2.900 . 4.000 4.218 4.136 4.302 0.302 10 0 "[ . 1]" 1
136 1 68 MET HA 1 71 GLY H 2.500 . 3.200 2.922 2.870 2.991 . 0 0 "[ . 1]" 1
137 1 68 MET HA 1 72 GLU H 3.000 . 4.200 3.575 3.239 3.801 . 0 0 "[ . 1]" 1
138 1 68 MET HB2 1 69 ASP H 2.300 . 2.800 2.524 2.490 2.545 . 0 0 "[ . 1]" 1
139 1 68 MET HG2 1 69 ASP H 3.600 . 5.500 4.713 4.688 4.727 . 0 0 "[ . 1]" 1
140 1 68 MET HG3 1 69 ASP H 2.800 . 3.800 4.274 4.099 4.342 0.542 1 3 "[+ *- 1]" 1
141 1 69 ASP H 1 69 ASP HA 2.100 . 2.400 2.732 2.730 2.735 0.335 9 0 "[ . 1]" 1
142 1 69 ASP H 1 69 ASP HB2 2.100 . 2.400 2.415 2.394 2.453 0.053 2 0 "[ . 1]" 1
143 1 69 ASP H 1 69 ASP HB3 2.100 . 2.400 2.689 2.650 2.721 0.321 5 0 "[ . 1]" 1
144 1 69 ASP H 1 70 ALA H 2.200 . 2.600 2.852 2.833 2.868 0.268 10 0 "[ . 1]" 1
145 1 69 ASP H 1 70 ALA MB 3.300 . 4.800 4.545 4.511 4.571 . 0 0 "[ . 1]" 1
146 1 69 ASP H 1 71 GLY H 2.700 . 3.600 3.714 3.672 3.828 0.228 7 0 "[ . 1]" 1
147 1 69 ASP HB3 1 70 ALA H 2.200 . 2.600 2.449 2.404 2.510 . 0 0 "[ . 1]" 1
148 1 70 ALA H 1 70 ALA MB 2.600 . 3.400 2.144 2.116 2.158 . 0 0 "[ . 1]" 1
149 1 70 ALA H 1 71 GLY H 2.100 . 2.400 2.385 2.359 2.447 0.047 7 0 "[ . 1]" 1
150 1 70 ALA H 1 71 GLY QA 2.800 . 3.700 4.359 4.334 4.417 0.717 7 10 [******+**-] 1
151 1 70 ALA HA 1 72 GLU H 3.600 . 5.500 4.804 4.630 4.896 . 0 0 "[ . 1]" 1
152 1 70 ALA MB 1 72 GLU H 4.200 . 6.600 3.052 2.899 3.145 . 0 0 "[ . 1]" 1
153 1 71 GLY H 1 71 GLY QA 2.100 . 2.400 2.262 2.255 2.275 . 0 0 "[ . 1]" 1
154 1 72 GLU H 1 72 GLU QB 2.500 . 3.200 2.893 2.534 3.008 . 0 0 "[ . 1]" 1
155 1 72 GLU H 1 72 GLU HG2 3.100 . 4.400 2.236 1.842 3.196 . 0 0 "[ . 1]" 1
156 1 73 PRO HA 1 74 ALA H 2.100 . 2.400 2.233 2.224 2.241 . 0 0 "[ . 1]" 1
157 1 73 PRO HA 1 75 ASP H 2.800 . 3.800 3.482 3.440 3.531 . 0 0 "[ . 1]" 1
158 1 73 PRO HB2 1 74 ALA H 2.800 . 3.800 3.677 3.636 3.715 . 0 0 "[ . 1]" 1
159 1 73 PRO HB2 1 75 ASP H 2.200 . 2.600 2.489 2.472 2.509 . 0 0 "[ . 1]" 1
160 1 73 PRO HB2 1 76 SER H 3.600 . 5.500 3.608 3.574 3.626 . 0 0 "[ . 1]" 1
161 1 73 PRO HB3 1 74 ALA H 2.900 . 4.000 4.196 4.168 4.220 0.220 10 0 "[ . 1]" 1
162 1 73 PRO HG2 1 74 ALA H 3.200 . 4.600 4.902 4.886 4.915 0.315 10 0 "[ . 1]" 1
163 1 73 PRO HG2 1 75 ASP H 3.300 . 4.800 3.798 3.775 3.844 . 0 0 "[ . 1]" 1
164 1 73 PRO HG2 1 76 SER H 2.400 . 3.000 3.174 3.121 3.234 0.234 8 0 "[ . 1]" 1
165 1 73 PRO HD2 1 74 ALA H 3.600 . 5.500 5.419 5.387 5.474 . 0 0 "[ . 1]" 1
166 1 74 ALA H 1 74 ALA HA 2.200 . 2.600 2.777 2.771 2.783 0.183 8 0 "[ . 1]" 1
167 1 74 ALA H 1 75 ASP H 2.100 . 2.400 2.664 2.644 2.685 0.285 2 0 "[ . 1]" 1
168 1 74 ALA H 1 76 SER H 2.900 . 4.000 4.224 4.199 4.242 0.242 2 0 "[ . 1]" 1
169 1 74 ALA HA 1 75 ASP H 2.400 . 3.000 3.322 3.312 3.333 0.333 7 0 "[ . 1]" 1
170 1 74 ALA HA 1 76 SER H 3.600 . 5.500 3.228 3.189 3.273 . 0 0 "[ . 1]" 1
171 1 74 ALA HA 1 79 ALA H 3.800 . 5.800 5.742 5.637 5.843 0.043 2 0 "[ . 1]" 1
172 1 74 ALA MB 1 76 SER H 4.200 . 6.600 4.161 4.122 4.204 . 0 0 "[ . 1]" 1
173 1 74 ALA MB 1 133 ALA H 3.900 . 6.000 3.051 2.803 3.217 . 0 0 "[ . 1]" 1
174 1 75 ASP H 1 75 ASP HB3 2.200 . 2.600 2.537 2.473 2.587 . 0 0 "[ . 1]" 1
175 1 75 ASP H 1 76 SER H 2.100 . 2.400 2.551 2.535 2.564 0.164 10 0 "[ . 1]" 1
176 1 75 ASP H 1 76 SER HA 3.600 . 5.500 4.704 4.694 4.717 . 0 0 "[ . 1]" 1
177 1 75 ASP H 1 76 SER QB 3.000 . 4.200 4.112 4.086 4.135 . 0 0 "[ . 1]" 1
178 1 75 ASP H 1 136 ALA MB 2.800 . 3.800 4.210 4.148 4.265 0.465 10 0 "[ . 1]" 1
179 1 75 ASP HA 1 76 SER H 2.500 . 3.200 3.081 3.059 3.100 . 0 0 "[ . 1]" 1
180 1 75 ASP HB3 1 76 SER H 2.600 . 3.400 3.761 3.752 3.777 0.377 3 0 "[ . 1]" 1
181 1 76 SER H 1 76 SER QB 2.100 . 2.400 2.117 2.108 2.126 . 0 0 "[ . 1]" 1
182 1 76 SER H 1 79 ALA MB 4.200 . 6.600 2.418 2.313 2.504 . 0 0 "[ . 1]" 1
183 1 76 SER H 1 80 MET H 3.500 . 5.200 3.699 3.663 3.739 . 0 0 "[ . 1]" 1
184 1 76 SER HA 1 77 GLU H 2.600 . 3.400 2.138 2.132 2.146 . 0 0 "[ . 1]" 1
185 1 76 SER HA 1 78 GLY H 3.600 . 5.500 3.912 3.864 3.959 . 0 0 "[ . 1]" 1
186 1 76 SER HA 1 79 ALA H 3.600 . 5.500 4.175 4.128 4.208 . 0 0 "[ . 1]" 1
187 1 76 SER QB 1 77 GLU H 2.200 . 2.600 3.602 3.569 3.631 1.031 8 10 [*-*****+**] 1
188 1 76 SER QB 1 78 GLY H 3.600 . 5.500 3.778 3.714 3.821 . 0 0 "[ . 1]" 1
189 1 77 GLU H 1 77 GLU QG 4.100 . 6.400 3.264 1.967 4.109 . 0 0 "[ . 1]" 1
190 1 77 GLU H 1 78 GLY H 2.100 . 2.400 2.751 2.718 2.778 0.378 7 0 "[ . 1]" 1
191 1 77 GLU H 1 79 ALA H 2.800 . 3.800 4.132 4.107 4.157 0.357 3 0 "[ . 1]" 1
192 1 77 GLU H 1 80 MET HB3 3.600 . 5.500 5.905 5.891 5.930 0.430 10 0 "[ . 1]" 1
193 1 77 GLU HA 1 80 MET H 2.500 . 3.200 3.501 3.491 3.509 0.309 3 0 "[ . 1]" 1
194 1 77 GLU HA 1 81 ASP H 2.300 . 2.800 3.164 3.136 3.182 0.382 8 0 "[ . 1]" 1
195 1 77 GLU QB 1 79 ALA H 4.100 . 6.400 4.671 4.624 4.697 . 0 0 "[ . 1]" 1
196 1 77 GLU QB 1 80 MET H 4.100 . 6.400 4.987 4.957 5.011 . 0 0 "[ . 1]" 1
197 1 77 GLU QG 1 78 GLY H 4.100 . 6.400 4.038 3.598 4.473 . 0 0 "[ . 1]" 1
198 1 78 GLY H 1 79 ALA H 2.200 . 2.600 2.583 2.561 2.595 . 0 0 "[ . 1]" 1
199 1 78 GLY H 1 79 ALA MB 4.200 . 6.600 4.283 4.225 4.310 . 0 0 "[ . 1]" 1
200 1 78 GLY H 1 82 ALA MB 4.200 . 6.600 5.989 5.970 6.010 . 0 0 "[ . 1]" 1
201 1 78 GLY HA3 1 79 ALA H 2.100 . 2.400 2.663 2.640 2.696 0.296 10 0 "[ . 1]" 1
202 1 79 ALA H 1 79 ALA HA 2.100 . 2.400 2.848 2.843 2.854 0.454 2 0 "[ . 1]" 1
203 1 79 ALA H 1 80 MET H 2.200 . 2.600 2.677 2.667 2.690 0.090 10 0 "[ . 1]" 1
204 1 79 ALA H 1 80 MET HB2 3.600 . 5.400 4.542 4.523 4.563 . 0 0 "[ . 1]" 1
205 1 79 ALA H 1 80 MET HG3 3.600 . 5.500 5.282 5.213 5.311 . 0 0 "[ . 1]" 1
206 1 79 ALA H 1 80 MET HG2 3.600 . 5.500 4.593 4.555 4.620 . 0 0 "[ . 1]" 1
207 1 79 ALA H 1 81 ASP H 2.700 . 3.600 3.790 3.767 3.823 0.223 4 0 "[ . 1]" 1
208 1 79 ALA H 1 82 ALA MB 2.900 . 4.000 4.356 4.332 4.387 0.387 3 0 "[ . 1]" 1
209 1 79 ALA HA 1 82 ALA H 2.400 . 3.000 3.257 3.208 3.297 0.297 4 0 "[ . 1]" 1
210 1 79 ALA MB 1 81 ASP H 4.200 . 6.600 4.286 4.225 4.313 . 0 0 "[ . 1]" 1
211 1 80 MET H 1 80 MET HA 2.100 . 2.400 2.795 2.792 2.800 0.400 10 0 "[ . 1]" 1
212 1 80 MET H 1 80 MET HB2 2.100 . 2.400 2.326 2.310 2.347 . 0 0 "[ . 1]" 1
213 1 80 MET H 1 80 MET HG3 2.400 . 3.000 3.095 3.059 3.107 0.107 5 0 "[ . 1]" 1
214 1 80 MET H 1 80 MET HG2 2.200 . 2.600 2.232 2.196 2.258 . 0 0 "[ . 1]" 1
215 1 80 MET H 1 81 ASP H 2.100 . 2.400 2.626 2.613 2.641 0.241 4 0 "[ . 1]" 1
216 1 80 MET H 1 82 ALA H 2.800 . 3.800 3.830 3.791 3.862 0.062 4 0 "[ . 1]" 1
217 1 80 MET H 1 82 ALA MB 4.200 . 6.600 4.439 4.390 4.479 . 0 0 "[ . 1]" 1
218 1 80 MET H 1 83 ALA H 3.000 . 4.200 4.330 4.283 4.382 0.182 7 0 "[ . 1]" 1
219 1 80 MET HA 1 83 ALA H 2.700 . 3.600 2.808 2.783 2.839 . 0 0 "[ . 1]" 1
220 1 80 MET HA 1 84 GLU H 3.600 . 5.500 4.014 3.887 4.158 . 0 0 "[ . 1]" 1
221 1 80 MET HB2 1 81 ASP H 2.100 . 2.400 2.522 2.506 2.541 0.141 9 0 "[ . 1]" 1
222 1 80 MET HB3 1 81 ASP H 2.700 . 3.600 3.555 3.545 3.564 . 0 0 "[ . 1]" 1
223 1 80 MET HB3 1 137 ASN H 3.600 . 5.500 4.981 4.729 5.131 . 0 0 "[ . 1]" 1
224 1 80 MET HG3 1 81 ASP H 3.200 . 4.600 4.642 4.614 4.672 0.072 9 0 "[ . 1]" 1
225 1 80 MET HG3 1 137 ASN H 3.600 . 5.500 5.446 5.248 5.535 0.035 2 0 "[ . 1]" 1
226 1 80 MET HG2 1 81 ASP H 3.400 . 5.000 4.374 4.362 4.401 . 0 0 "[ . 1]" 1
227 1 80 MET HG2 1 137 ASN H 3.600 . 5.500 5.042 4.795 5.146 . 0 0 "[ . 1]" 1
228 1 80 MET ME 1 140 ARG HE 2.700 . 3.600 2.554 2.359 2.759 . 0 0 "[ . 1]" 1
229 1 81 ASP H 1 81 ASP HA 2.100 . 2.400 2.827 2.823 2.833 0.433 9 0 "[ . 1]" 1
230 1 81 ASP H 1 81 ASP HB2 2.100 . 2.400 2.702 2.687 2.711 0.311 10 0 "[ . 1]" 1
231 1 81 ASP H 1 81 ASP HB3 2.100 . 2.400 2.467 2.459 2.480 0.080 4 0 "[ . 1]" 1
232 1 81 ASP H 1 82 ALA H 2.100 . 2.400 2.544 2.521 2.562 0.162 4 0 "[ . 1]" 1
233 1 81 ASP H 1 82 ALA MB 4.200 . 6.600 4.136 4.113 4.156 . 0 0 "[ . 1]" 1
234 1 81 ASP H 1 83 ALA H 2.800 . 3.800 3.888 3.871 3.912 0.112 10 0 "[ . 1]" 1
235 1 81 ASP H 1 83 ALA MB 4.200 . 6.600 4.581 4.554 4.609 . 0 0 "[ . 1]" 1
236 1 81 ASP HA 1 84 GLU H 2.200 . 2.600 3.010 2.975 3.035 0.435 5 0 "[ . 1]" 1
237 1 81 ASP HA 1 85 ASP H 3.500 . 5.200 4.043 3.941 4.181 . 0 0 "[ . 1]" 1
238 1 81 ASP HB3 1 82 ALA H 2.200 . 2.600 2.688 2.662 2.715 0.115 7 0 "[ . 1]" 1
239 1 82 ALA H 1 82 ALA HA 2.100 . 2.400 2.855 2.849 2.863 0.463 9 0 "[ . 1]" 1
240 1 82 ALA H 1 82 ALA MB 2.700 . 3.600 2.073 2.012 2.092 . 0 0 "[ . 1]" 1
241 1 82 ALA H 1 83 ALA H 2.100 . 2.400 2.509 2.503 2.513 0.113 7 0 "[ . 1]" 1
242 1 82 ALA H 1 83 ALA MB 4.200 . 6.600 4.222 4.217 4.235 . 0 0 "[ . 1]" 1
243 1 82 ALA H 1 84 GLU H 2.900 . 4.000 3.926 3.901 3.949 . 0 0 "[ . 1]" 1
244 1 82 ALA HA 1 83 ALA H 2.500 . 3.200 3.504 3.501 3.508 0.308 3 0 "[ . 1]" 1
245 1 82 ALA HA 1 85 ASP H 2.300 . 2.800 3.069 3.023 3.103 0.303 4 0 "[ . 1]" 1
246 1 82 ALA MB 1 83 ALA H 3.000 . 4.200 2.544 2.509 2.612 . 0 0 "[ . 1]" 1
247 1 82 ALA MB 1 84 GLU H 4.200 . 6.600 4.484 4.461 4.508 . 0 0 "[ . 1]" 1
248 1 82 ALA MB 1 85 ASP H 4.200 . 6.600 4.398 4.355 4.438 . 0 0 "[ . 1]" 1
249 1 82 ALA MB 1 86 HIS H 4.200 . 6.600 4.173 4.127 4.232 . 0 0 "[ . 1]" 1
250 1 83 ALA H 1 83 ALA HA 2.100 . 2.400 2.835 2.830 2.838 0.438 8 0 "[ . 1]" 1
251 1 83 ALA H 1 83 ALA MB 2.600 . 3.400 2.247 2.236 2.256 . 0 0 "[ . 1]" 1
252 1 83 ALA H 1 84 GLU H 2.100 . 2.400 2.710 2.693 2.722 0.322 9 0 "[ . 1]" 1
253 1 64 PHE HZ 1 83 ALA H 2.500 . 3.200 3.262 2.980 3.413 0.213 1 0 "[ . 1]" 1
254 1 83 ALA HA 1 86 HIS H 3.500 . 5.200 3.237 3.152 3.319 . 0 0 "[ . 1]" 1
255 1 83 ALA MB 1 84 GLU H 2.600 . 3.400 2.468 2.437 2.506 . 0 0 "[ . 1]" 1
256 1 83 ALA MB 1 85 ASP H 4.200 . 6.600 4.534 4.503 4.572 . 0 0 "[ . 1]" 1
257 1 83 ALA MB 1 137 ASN H 3.900 . 6.000 3.914 3.729 4.130 . 0 0 "[ . 1]" 1
258 1 84 GLU H 1 84 GLU HA 2.200 . 2.600 2.828 2.824 2.830 0.230 9 0 "[ . 1]" 1
259 1 84 GLU H 1 84 GLU HB2 2.300 . 2.800 2.395 2.327 2.480 . 0 0 "[ . 1]" 1
260 1 84 GLU H 1 84 GLU HB3 2.100 . 2.400 2.720 2.619 2.776 0.376 7 0 "[ . 1]" 1
261 1 84 GLU H 1 84 GLU QG 2.400 . 3.000 4.072 4.063 4.079 1.079 1 10 [+********-] 1
262 1 84 GLU H 1 85 ASP H 2.100 . 2.400 2.722 2.695 2.748 0.348 2 0 "[ . 1]" 1
263 1 84 GLU H 1 85 ASP HB3 3.600 . 5.500 5.376 5.344 5.404 . 0 0 "[ . 1]" 1
264 1 84 GLU HB2 1 85 ASP H 3.300 . 4.800 3.658 3.597 3.739 . 0 0 "[ . 1]" 1
265 1 84 GLU HB2 1 137 ASN HD22 3.100 . 4.400 3.106 2.407 3.576 . 0 0 "[ . 1]" 1
266 1 84 GLU HB3 1 85 ASP H 2.500 . 3.200 2.415 2.375 2.446 . 0 0 "[ . 1]" 1
267 1 84 GLU HB3 1 137 ASN HD22 3.300 . 4.800 4.707 3.994 5.204 0.404 7 0 "[ . 1]" 1
268 1 84 GLU QG 1 85 ASP H 2.900 . 4.000 3.720 3.576 3.818 . 0 0 "[ . 1]" 1
269 1 85 ASP H 1 85 ASP HA 2.400 . 3.000 2.883 2.880 2.885 . 0 0 "[ . 1]" 1
270 1 85 ASP H 1 85 ASP HB2 2.500 . 3.200 2.228 2.222 2.237 . 0 0 "[ . 1]" 1
271 1 85 ASP H 1 85 ASP HB3 2.900 . 4.000 2.977 2.973 2.985 . 0 0 "[ . 1]" 1
272 1 85 ASP H 1 86 HIS QB 4.100 . 6.400 4.382 4.340 4.425 . 0 0 "[ . 1]" 1
273 1 85 ASP HA 1 88 GLN H 3.600 . 5.500 3.329 3.273 3.386 . 0 0 "[ . 1]" 1
274 1 85 ASP HA 1 89 GLY H 3.600 . 5.500 4.038 3.846 4.167 . 0 0 "[ . 1]" 1
275 1 85 ASP HB2 1 86 HIS H 3.600 . 5.500 3.454 3.428 3.479 . 0 0 "[ . 1]" 1
276 1 85 ASP HB3 1 86 HIS H 3.600 . 5.500 2.560 2.516 2.586 . 0 0 "[ . 1]" 1
277 1 86 HIS H 1 86 HIS HA 2.400 . 3.000 2.815 2.807 2.819 . 0 0 "[ . 1]" 1
278 1 86 HIS H 1 86 HIS QB 2.700 . 3.600 2.258 2.226 2.305 . 0 0 "[ . 1]" 1
279 1 86 HIS H 1 87 ARG H 2.300 . 2.800 2.972 2.946 2.986 0.186 10 0 "[ . 1]" 1
280 1 86 HIS HA 1 89 GLY H 3.600 . 5.500 3.717 3.502 3.831 . 0 0 "[ . 1]" 1
281 1 86 HIS QB 1 87 ARG H 3.500 . 5.200 2.102 2.035 2.156 . 0 0 "[ . 1]" 1
282 1 87 ARG H 1 87 ARG HA 2.400 . 3.000 2.825 2.822 2.827 . 0 0 "[ . 1]" 1
283 1 87 ARG H 1 87 ARG HB2 2.600 . 3.400 2.508 2.379 2.585 . 0 0 "[ . 1]" 1
284 1 87 ARG H 1 87 ARG HB3 2.200 . 2.600 2.577 2.495 2.742 0.142 7 0 "[ . 1]" 1
285 1 87 ARG H 1 87 ARG HG2 3.600 . 5.500 4.480 4.445 4.530 . 0 0 "[ . 1]" 1
286 1 87 ARG H 1 87 ARG HG3 3.600 . 5.500 4.465 4.360 4.642 . 0 0 "[ . 1]" 1
287 1 87 ARG H 1 88 GLN H 2.400 . 3.000 2.823 2.794 2.839 . 0 0 "[ . 1]" 1
288 1 87 ARG HA 1 90 ILE H 3.600 . 5.500 3.437 3.354 3.519 . 0 0 "[ . 1]" 1
289 1 87 ARG HB2 1 87 ARG HE 3.600 . 5.500 4.475 3.041 4.780 . 0 0 "[ . 1]" 1
290 1 87 ARG HB3 1 87 ARG HE 3.600 . 5.500 4.495 2.838 4.907 . 0 0 "[ . 1]" 1
291 1 87 ARG HE 1 87 ARG HG2 2.700 . 3.600 3.010 2.249 3.525 . 0 0 "[ . 1]" 1
292 1 88 GLN H 1 88 GLN HB2 2.500 . 3.200 2.366 2.247 2.452 . 0 0 "[ . 1]" 1
293 1 88 GLN H 1 88 GLN HB3 2.500 . 3.300 2.793 2.664 2.952 . 0 0 "[ . 1]" 1
294 1 88 GLN H 1 88 GLN QG 3.600 . 5.500 4.035 3.885 4.082 . 0 0 "[ . 1]" 1
295 1 88 GLN H 1 89 GLY H 2.400 . 3.000 2.800 2.705 2.849 . 0 0 "[ . 1]" 1
296 1 88 GLN HA 1 88 GLN HE21 3.600 . 5.500 3.826 3.128 5.259 . 0 0 "[ . 1]" 1
297 1 88 GLN HA 1 88 GLN HE22 3.600 . 5.500 4.165 3.480 5.676 0.176 5 0 "[ . 1]" 1
298 1 88 GLN HA 1 91 ALA H 3.300 . 4.800 3.886 3.532 4.059 . 0 0 "[ . 1]" 1
299 1 88 GLN HA 1 92 ARG H 3.600 . 5.500 3.993 3.830 4.178 . 0 0 "[ . 1]" 1
300 1 88 GLN HB2 1 88 GLN HE21 3.600 . 5.500 4.301 3.556 4.669 . 0 0 "[ . 1]" 1
301 1 88 GLN HB3 1 88 GLN HE21 3.600 . 5.500 4.402 3.514 4.698 . 0 0 "[ . 1]" 1
302 1 88 GLN HE21 1 88 GLN QG 2.200 . 2.600 2.250 2.211 2.324 . 0 0 "[ . 1]" 1
303 1 88 GLN QG 1 89 GLY H 4.100 . 6.400 3.917 3.628 4.515 . 0 0 "[ . 1]" 1
304 1 89 GLY H 1 89 GLY HA3 2.200 . 2.600 2.343 2.340 2.346 . 0 0 "[ . 1]" 1
305 1 89 GLY H 1 90 ILE H 2.400 . 3.000 2.698 2.653 2.745 . 0 0 "[ . 1]" 1
306 1 90 ILE H 1 90 ILE HB 2.700 . 3.600 2.525 2.422 2.673 . 0 0 "[ . 1]" 1
307 1 90 ILE H 1 90 ILE MD 3.400 . 5.000 3.439 3.377 3.506 . 0 0 "[ . 1]" 1
308 1 90 ILE H 1 91 ALA H 2.300 . 2.800 2.812 2.772 2.835 0.035 9 0 "[ . 1]" 1
309 1 90 ILE H 1 91 ALA MB 4.200 . 6.600 4.390 4.329 4.427 . 0 0 "[ . 1]" 1
310 1 90 ILE HB 1 91 ALA H 2.300 . 2.800 2.187 2.153 2.246 . 0 0 "[ . 1]" 1
311 1 91 ALA H 1 91 ALA HA 2.300 . 2.800 2.820 2.812 2.827 0.027 5 0 "[ . 1]" 1
312 1 92 ARG H 1 92 ARG HB2 2.200 . 2.600 2.512 2.357 2.605 0.005 1 0 "[ . 1]" 1
313 1 92 ARG H 1 93 ASN H 2.300 . 2.800 2.722 2.629 2.793 . 0 0 "[ . 1]" 1
314 1 99 TYR H 1 99 TYR HA 2.100 . 2.400 2.740 2.721 2.753 0.353 7 0 "[ . 1]" 1
315 1 99 TYR H 1 99 TYR HB2 2.100 . 2.400 2.362 2.232 2.443 0.043 4 0 "[ . 1]" 1
316 1 99 TYR H 1 99 TYR HB3 2.500 . 3.200 3.511 3.484 3.556 0.356 4 0 "[ . 1]" 1
317 1 99 TYR H 1 99 TYR QE 4.300 . 6.800 4.494 4.150 4.864 . 0 0 "[ . 1]" 1
318 1 99 TYR H 1 100 GLU H 2.300 . 2.800 2.684 2.618 2.786 . 0 0 "[ . 1]" 1
319 1 99 TYR HA 1 100 GLU H 2.500 . 3.200 3.432 3.404 3.482 0.282 5 0 "[ . 1]" 1
320 1 99 TYR HB2 1 100 GLU H 2.400 . 3.000 2.696 2.427 2.891 . 0 0 "[ . 1]" 1
321 1 99 TYR HB3 1 100 GLU H 2.600 . 3.400 3.473 3.411 3.590 0.190 4 0 "[ . 1]" 1
322 1 99 TYR QD 1 100 GLU H 4.700 . 7.600 4.335 4.039 4.569 . 0 0 "[ . 1]" 1
323 1 99 TYR QE 1 137 ASN HD21 4.200 . 6.600 3.049 1.796 4.951 0.004 7 0 "[ . 1]" 1
324 1 99 TYR QE 1 137 ASN HD22 4.100 . 6.400 3.147 2.659 3.668 . 0 0 "[ . 1]" 1
325 1 100 GLU H 1 100 GLU HB2 2.200 . 2.600 2.613 2.557 2.693 0.093 10 0 "[ . 1]" 1
326 1 100 GLU H 1 100 GLU QG 3.100 . 4.400 1.880 1.818 1.933 . 0 0 "[ . 1]" 1
327 1 100 GLU H 1 101 MET H 2.200 . 2.600 2.723 2.702 2.747 0.147 5 0 "[ . 1]" 1
328 1 100 GLU HB2 1 102 HIS H 3.000 . 4.200 4.509 4.462 4.548 0.348 4 0 "[ . 1]" 1
329 1 100 GLU QG 1 101 MET H 3.600 . 5.400 3.705 3.569 3.817 . 0 0 "[ . 1]" 1
330 1 101 MET H 1 101 MET HA 2.300 . 2.800 2.848 2.843 2.854 0.054 9 0 "[ . 1]" 1
331 1 101 MET H 1 102 HIS H 2.400 . 3.000 2.554 2.526 2.571 . 0 0 "[ . 1]" 1
332 1 102 HIS H 1 102 HIS HB2 2.100 . 2.400 2.329 2.268 2.400 . 0 0 "[ . 1]" 1
333 1 102 HIS H 1 102 HIS HB3 2.200 . 2.600 2.791 2.724 2.878 0.278 7 0 "[ . 1]" 1
334 1 102 HIS H 1 103 THR H 2.400 . 3.000 2.559 2.521 2.605 . 0 0 "[ . 1]" 1
335 1 102 HIS HB2 1 103 THR H 2.700 . 3.600 3.602 3.515 3.669 0.069 4 0 "[ . 1]" 1
336 1 102 HIS HB3 1 103 THR H 3.500 . 5.200 2.547 2.422 2.659 . 0 0 "[ . 1]" 1
337 1 103 THR H 1 103 THR HB 2.800 . 3.800 2.644 2.478 2.717 . 0 0 "[ . 1]" 1
338 1 103 THR H 1 104 CYS H 2.500 . 3.200 2.614 2.584 2.638 . 0 0 "[ . 1]" 1
339 1 103 THR H 1 134 ILE MG 4.200 . 6.600 3.707 3.598 3.874 . 0 0 "[ . 1]" 1
340 1 103 THR HA 1 104 CYS H 2.500 . 3.200 3.491 3.479 3.499 0.299 6 0 "[ . 1]" 1
341 1 103 THR HB 1 104 CYS H 3.000 . 4.200 2.742 2.726 2.750 . 0 0 "[ . 1]" 1
342 1 103 THR MG 1 104 CYS H 4.100 . 6.400 3.715 3.488 3.805 . 0 0 "[ . 1]" 1
343 1 103 THR MG 1 138 ALA H 4.200 . 6.600 6.518 6.072 6.958 0.358 1 0 "[ . 1]" 1
344 1 104 CYS H 1 104 CYS HA 2.200 . 2.600 2.816 2.805 2.824 0.224 2 0 "[ . 1]" 1
345 1 104 CYS H 1 104 CYS HB2 2.200 . 2.600 2.476 2.351 2.704 0.104 9 0 "[ . 1]" 1
346 1 104 CYS H 1 104 CYS HB3 2.300 . 2.800 2.754 2.422 3.568 0.768 6 1 "[ .+ 1]" 1
347 1 104 CYS H 1 105 LEU H 2.400 . 3.000 2.727 2.669 2.761 . 0 0 "[ . 1]" 1
348 1 104 CYS HB2 1 105 LEU H 2.900 . 4.000 3.745 2.665 4.040 0.040 9 0 "[ . 1]" 1
349 1 104 CYS HB3 1 105 LEU H 3.300 . 4.800 2.798 2.583 3.841 . 0 0 "[ . 1]" 1
350 1 105 LEU H 1 105 LEU HB3 2.600 . 3.400 3.567 3.551 3.577 0.177 8 0 "[ . 1]" 1
351 1 105 LEU H 1 105 LEU HG 2.700 . 3.600 3.645 3.607 3.705 0.105 2 0 "[ . 1]" 1
352 1 105 LEU H 1 105 LEU MD2 4.200 . 6.600 4.081 4.052 4.106 . 0 0 "[ . 1]" 1
353 1 105 LEU HB2 1 106 GLY H 3.600 . 5.500 2.835 2.794 2.940 . 0 0 "[ . 1]" 1
354 1 105 LEU HB3 1 106 GLY H 3.600 . 5.500 3.480 3.440 3.534 . 0 0 "[ . 1]" 1
355 1 105 LEU HG 1 106 GLY H 3.600 . 5.500 5.001 4.974 5.058 . 0 0 "[ . 1]" 1
356 1 105 LEU MD2 1 106 GLY H 4.200 . 6.600 4.863 4.838 4.932 . 0 0 "[ . 1]" 1
357 1 106 GLY H 1 107 GLU H 2.300 . 2.800 2.822 2.793 2.856 0.056 6 0 "[ . 1]" 1
358 1 106 GLY H 1 134 ILE MD 4.200 . 6.600 3.418 2.670 4.890 . 0 0 "[ . 1]" 1
359 1 106 GLY HA3 1 107 GLU H 2.500 . 3.200 2.867 2.812 2.897 . 0 0 "[ . 1]" 1
360 1 107 GLU H 1 107 GLU HA 2.200 . 2.600 2.836 2.825 2.842 0.242 4 0 "[ . 1]" 1
361 1 107 GLU H 1 107 GLU QB 2.800 . 3.800 2.466 2.352 2.566 . 0 0 "[ . 1]" 1
362 1 107 GLU H 1 107 GLU QG 3.900 . 6.000 2.059 1.826 2.264 . 0 0 "[ . 1]" 1
363 1 107 GLU H 1 108 MET H 2.200 . 2.600 2.872 2.850 2.892 0.292 9 0 "[ . 1]" 1
364 1 108 MET H 1 108 MET HB2 2.800 . 3.800 2.667 2.433 2.828 . 0 0 "[ . 1]" 1
365 1 108 MET H 1 108 MET QG 3.300 . 4.800 2.104 1.808 3.043 . 0 0 "[ . 1]" 1
366 1 108 MET H 1 109 TYR H 2.300 . 2.800 2.745 2.716 2.764 . 0 0 "[ . 1]" 1
367 1 108 MET HA 1 109 TYR H 2.700 . 3.600 3.507 3.493 3.530 . 0 0 "[ . 1]" 1
368 1 109 TYR H 1 109 TYR HB2 2.600 . 3.400 2.228 2.216 2.238 . 0 0 "[ . 1]" 1
369 1 109 TYR H 1 109 TYR HB3 2.500 . 3.200 3.521 3.513 3.526 0.326 7 0 "[ . 1]" 1
370 1 109 TYR H 1 110 VAL H 2.300 . 2.800 2.719 2.625 2.950 0.150 6 0 "[ . 1]" 1
371 1 109 TYR HB2 1 110 VAL H 2.900 . 4.000 3.391 2.473 3.553 . 0 0 "[ . 1]" 1
372 1 110 VAL H 1 110 VAL HA 2.200 . 2.600 2.958 2.943 2.968 0.368 2 0 "[ . 1]" 1
373 1 110 VAL H 1 111 SER H 2.300 . 2.800 1.952 1.824 2.406 . 0 0 "[ . 1]" 1
374 1 110 VAL HB 1 111 SER H 3.600 . 5.500 3.663 2.631 3.921 . 0 0 "[ . 1]" 1
375 1 110 VAL QG 1 111 SER H 3.800 . 5.800 2.075 1.832 3.213 . 0 0 "[ . 1]" 1
376 1 110 VAL QG 1 128 ALA H 3.600 . 5.400 4.448 3.252 5.501 0.101 5 0 "[ . 1]" 1
377 1 112 ASP HA 1 113 GLU H 2.100 . 2.400 2.303 2.274 2.324 . 0 0 "[ . 1]" 1
378 1 112 ASP HB2 1 113 GLU H 3.600 . 5.500 4.480 4.451 4.531 . 0 0 "[ . 1]" 1
379 1 112 ASP HB3 1 113 GLU H 3.600 . 5.500 4.047 4.019 4.081 . 0 0 "[ . 1]" 1
380 1 113 GLU H 1 113 GLU HA 2.100 . 2.400 2.759 2.748 2.763 0.363 9 0 "[ . 1]" 1
381 1 113 GLU H 1 113 GLU QB 2.500 . 3.200 2.478 2.228 2.820 . 0 0 "[ . 1]" 1
382 1 113 GLU H 1 113 GLU QG 3.000 . 4.200 2.361 1.842 3.941 . 0 0 "[ . 1]" 1
383 1 113 GLU H 1 114 ARG H 2.300 . 2.800 2.854 2.818 2.936 0.136 2 0 "[ . 1]" 1
384 1 113 GLU H 1 116 THR HB 3.100 . 4.400 4.411 4.298 4.588 0.188 2 0 "[ . 1]" 1
385 1 113 GLU HA 1 114 ARG H 2.700 . 3.600 3.419 3.403 3.442 . 0 0 "[ . 1]" 1
386 1 113 GLU HA 1 116 THR H 2.500 . 3.200 3.604 3.573 3.653 0.453 6 0 "[ . 1]" 1
387 1 113 GLU HA 1 117 ARG H 2.500 . 3.200 3.174 3.033 3.268 0.068 10 0 "[ . 1]" 1
388 1 113 GLU QB 1 114 ARG H 3.000 . 4.200 3.367 3.080 3.769 . 0 0 "[ . 1]" 1
389 1 113 GLU QG 1 114 ARG H 4.100 . 6.400 3.622 2.510 4.787 . 0 0 "[ . 1]" 1
390 1 114 ARG H 1 114 ARG QG 2.500 . 3.200 2.212 1.829 3.778 0.578 3 1 "[ + . 1]" 1
391 1 114 ARG H 1 115 PHE H 2.300 . 2.800 2.684 2.641 2.743 . 0 0 "[ . 1]" 1
392 1 114 ARG H 1 116 THR H 3.100 . 4.400 4.113 4.073 4.185 . 0 0 "[ . 1]" 1
393 1 115 PHE H 1 116 THR H 2.400 . 3.000 2.641 2.607 2.681 . 0 0 "[ . 1]" 1
394 1 116 THR H 1 116 THR HA 2.300 . 2.800 2.770 2.767 2.774 . 0 0 "[ . 1]" 1
395 1 116 THR H 1 116 THR HB 2.300 . 2.800 2.200 2.173 2.258 . 0 0 "[ . 1]" 1
396 1 116 THR H 1 117 ARG H 2.400 . 3.000 2.992 2.972 3.018 0.018 3 0 "[ . 1]" 1
397 1 116 THR HA 1 117 ARG H 2.500 . 3.300 3.533 3.526 3.541 0.241 2 0 "[ . 1]" 1
398 1 116 THR HB 1 117 ARG H 2.100 . 2.400 2.605 2.541 2.665 0.265 7 0 "[ . 1]" 1
399 1 116 THR MG 1 117 ARG H 4.200 . 6.600 2.569 2.477 2.701 . 0 0 "[ . 1]" 1
400 1 117 ARG H 1 117 ARG HA 2.100 . 2.400 2.774 2.766 2.781 0.381 10 0 "[ . 1]" 1
401 1 117 ARG H 1 117 ARG HB2 2.100 . 2.400 2.357 2.270 2.461 0.061 2 0 "[ . 1]" 1
402 1 117 ARG H 1 117 ARG HG3 2.500 . 3.200 2.595 2.327 3.289 0.089 1 0 "[ . 1]" 1
403 1 117 ARG H 1 117 ARG QD 4.100 . 6.400 3.770 3.652 3.950 . 0 0 "[ . 1]" 1
404 1 117 ARG H 1 118 ASN H 2.400 . 3.000 2.918 2.892 2.959 . 0 0 "[ . 1]" 1
405 1 117 ARG HA 1 120 ASP H 3.600 . 5.500 4.405 4.337 4.483 . 0 0 "[ . 1]" 1
406 1 117 ARG HB2 1 118 ASN H 3.000 . 4.200 2.687 2.569 2.786 . 0 0 "[ . 1]" 1
407 1 117 ARG HB3 1 118 ASN H 2.600 . 3.400 3.444 3.328 3.554 0.154 1 0 "[ . 1]" 1
408 1 117 ARG HG3 1 118 ASN H 3.600 . 5.400 4.659 4.529 4.869 . 0 0 "[ . 1]" 1
409 1 118 ASN H 1 118 ASN QB 2.700 . 3.600 2.369 2.251 2.506 . 0 0 "[ . 1]" 1
410 1 118 ASN H 1 119 ILE H 2.200 . 2.600 2.646 2.627 2.667 0.067 6 0 "[ . 1]" 1
411 1 118 ASN HA 1 119 ILE H 2.600 . 3.400 3.550 3.540 3.561 0.161 5 0 "[ . 1]" 1
412 1 118 ASN HA 1 121 ALA H 3.600 . 5.500 3.799 3.730 3.873 . 0 0 "[ . 1]" 1
413 1 118 ASN HA 1 122 ALA H 3.800 . 5.800 5.565 5.462 5.700 . 0 0 "[ . 1]" 1
414 1 118 ASN QB 1 119 ILE H 3.000 . 4.200 2.532 2.305 3.274 . 0 0 "[ . 1]" 1
415 1 119 ILE H 1 119 ILE HB 2.100 . 2.400 2.505 2.424 2.572 0.172 8 0 "[ . 1]" 1
416 1 119 ILE H 1 119 ILE MD 4.200 . 6.600 3.320 3.259 3.380 . 0 0 "[ . 1]" 1
417 1 119 ILE H 1 120 ASP H 2.200 . 2.600 2.878 2.851 2.910 0.310 1 0 "[ . 1]" 1
418 1 119 ILE HA 1 120 ASP H 2.500 . 3.200 3.508 3.502 3.512 0.312 8 0 "[ . 1]" 1
419 1 119 ILE HB 1 120 ASP H 2.200 . 2.600 2.063 2.008 2.129 . 0 0 "[ . 1]" 1
420 1 119 ILE MG 1 120 ASP H 4.100 . 6.400 2.982 2.832 3.164 . 0 0 "[ . 1]" 1
421 1 120 ASP H 1 120 ASP HB2 2.200 . 2.600 2.363 2.268 2.525 . 0 0 "[ . 1]" 1
422 1 120 ASP H 1 120 ASP HB3 2.100 . 2.400 2.657 2.519 2.707 0.307 2 0 "[ . 1]" 1
423 1 120 ASP H 1 121 ALA H 2.200 . 2.600 2.725 2.703 2.745 0.145 10 0 "[ . 1]" 1
424 1 120 ASP HA 1 122 ALA H 3.600 . 5.500 3.709 3.611 3.809 . 0 0 "[ . 1]" 1
425 1 120 ASP HA 1 123 LYS H 3.600 . 5.500 3.295 3.170 3.364 . 0 0 "[ . 1]" 1
426 1 120 ASP HA 1 125 GLY H 3.600 . 5.500 4.676 4.340 4.828 . 0 0 "[ . 1]" 1
427 1 120 ASP HA 1 126 LEU H 3.600 . 5.500 3.987 3.743 4.110 . 0 0 "[ . 1]" 1
428 1 120 ASP HB2 1 121 ALA H 2.800 . 3.800 4.124 4.074 4.245 0.445 10 0 "[ . 1]" 1
429 1 120 ASP HB3 1 121 ALA H 2.700 . 3.600 3.270 3.239 3.297 . 0 0 "[ . 1]" 1
430 1 120 ASP HB3 1 125 GLY H 3.500 . 5.200 4.507 4.370 4.663 . 0 0 "[ . 1]" 1
431 1 121 ALA H 1 121 ALA MB 2.600 . 3.400 2.282 2.229 2.309 . 0 0 "[ . 1]" 1
432 1 121 ALA H 1 122 ALA H 2.200 . 2.600 2.718 2.696 2.758 0.158 2 0 "[ . 1]" 1
433 1 121 ALA H 1 122 ALA MB 3.300 . 4.800 4.521 4.494 4.570 . 0 0 "[ . 1]" 1
434 1 121 ALA H 1 123 LYS H 2.900 . 4.000 4.120 4.092 4.139 0.139 1 0 "[ . 1]" 1
435 1 121 ALA HA 1 123 LYS H 2.900 . 4.000 3.764 3.726 3.822 . 0 0 "[ . 1]" 1
436 1 121 ALA MB 1 122 ALA H 2.600 . 3.400 2.797 2.722 2.870 . 0 0 "[ . 1]" 1
437 1 122 ALA H 1 122 ALA HA 2.500 . 3.200 2.948 2.939 2.954 . 0 0 "[ . 1]" 1
438 1 122 ALA H 1 122 ALA MB 2.600 . 3.400 2.341 2.321 2.365 . 0 0 "[ . 1]" 1
439 1 122 ALA H 1 123 LYS H 2.100 . 2.400 2.614 2.589 2.647 0.247 6 0 "[ . 1]" 1
440 1 122 ALA H 1 126 LEU MD2 3.200 . 4.600 3.297 3.123 3.387 . 0 0 "[ . 1]" 1
441 1 122 ALA H 1 126 LEU MD1 4.200 . 6.600 5.354 5.262 5.384 . 0 0 "[ . 1]" 1
442 1 122 ALA HA 1 123 LYS H 2.500 . 3.200 3.341 3.320 3.386 0.186 5 0 "[ . 1]" 1
443 1 123 LYS H 1 123 LYS HA 2.200 . 2.600 2.816 2.796 2.822 0.222 7 0 "[ . 1]" 1
444 1 123 LYS H 1 123 LYS QB 2.300 . 2.800 2.940 2.911 2.972 0.172 10 0 "[ . 1]" 1
445 1 123 LYS H 1 123 LYS QD 4.100 . 6.400 5.027 4.916 5.205 . 0 0 "[ . 1]" 1
446 1 123 LYS H 1 124 PRO HD3 3.000 . 4.200 4.209 4.104 4.334 0.134 2 0 "[ . 1]" 1
447 1 123 LYS H 1 124 PRO HD2 3.600 . 5.500 4.776 4.723 4.849 . 0 0 "[ . 1]" 1
448 1 123 LYS H 1 126 LEU H 3.300 . 4.800 5.054 4.927 5.106 0.306 8 0 "[ . 1]" 1
449 1 123 LYS H 1 126 LEU MD2 3.300 . 4.800 2.579 2.466 2.655 . 0 0 "[ . 1]" 1
450 1 123 LYS QB 1 126 LEU H 2.700 . 3.600 3.497 3.438 3.599 . 0 0 "[ . 1]" 1
451 1 124 PRO HB2 1 125 GLY H 2.400 . 3.000 3.355 3.321 3.406 0.406 2 0 "[ . 1]" 1
452 1 125 GLY H 1 125 GLY HA3 2.100 . 2.400 2.863 2.851 2.874 0.474 8 0 "[ . 1]" 1
453 1 125 GLY H 1 125 GLY HA2 2.100 . 2.400 2.361 2.355 2.368 . 0 0 "[ . 1]" 1
454 1 125 GLY H 1 126 LEU H 2.100 . 2.400 2.781 2.710 2.807 0.407 4 0 "[ . 1]" 1
455 1 125 GLY H 1 127 ALA H 3.200 . 4.600 3.867 3.798 3.965 . 0 0 "[ . 1]" 1
456 1 125 GLY HA3 1 128 ALA H 3.600 . 5.500 4.470 4.376 4.558 . 0 0 "[ . 1]" 1
457 1 125 GLY HA2 1 126 LEU H 2.400 . 3.000 3.419 3.386 3.451 0.451 8 0 "[ . 1]" 1
458 1 125 GLY HA2 1 128 ALA H 2.700 . 3.600 3.133 3.072 3.199 . 0 0 "[ . 1]" 1
459 1 126 LEU H 1 126 LEU HA 2.200 . 2.600 2.837 2.830 2.842 0.242 1 0 "[ . 1]" 1
460 1 126 LEU H 1 126 LEU QB 2.600 . 3.400 2.315 2.214 2.367 . 0 0 "[ . 1]" 1
461 1 126 LEU H 1 126 LEU HG 2.600 . 3.400 2.764 2.629 3.021 . 0 0 "[ . 1]" 1
462 1 126 LEU H 1 126 LEU MD2 3.300 . 4.800 3.425 3.365 3.585 . 0 0 "[ . 1]" 1
463 1 126 LEU H 1 126 LEU MD1 3.400 . 5.000 4.059 3.990 4.144 . 0 0 "[ . 1]" 1
464 1 126 LEU H 1 127 ALA H 2.200 . 2.600 2.733 2.694 2.763 0.163 2 0 "[ . 1]" 1
465 1 126 LEU HA 1 129 TYR H 2.800 . 3.800 3.469 3.449 3.493 . 0 0 "[ . 1]" 1
466 1 126 LEU HA 1 130 MET H 2.800 . 3.800 3.868 3.654 4.044 0.244 10 0 "[ . 1]" 1
467 1 126 LEU QB 1 127 ALA H 4.100 . 6.400 3.421 3.319 3.457 . 0 0 "[ . 1]" 1
468 1 126 LEU MD2 1 127 ALA H 4.200 . 6.600 3.669 3.583 3.709 . 0 0 "[ . 1]" 1
469 1 126 LEU MD2 1 129 TYR H 4.200 . 6.600 6.405 6.352 6.451 . 0 0 "[ . 1]" 1
470 1 126 LEU MD2 1 130 MET H 4.200 . 6.600 6.110 5.979 6.188 . 0 0 "[ . 1]" 1
471 1 126 LEU MD1 1 127 ALA H 3.000 . 4.200 2.699 2.553 2.809 . 0 0 "[ . 1]" 1
472 1 127 ALA H 1 128 ALA H 2.300 . 2.800 2.883 2.847 2.905 0.105 1 0 "[ . 1]" 1
473 1 127 ALA H 1 129 TYR H 3.600 . 5.500 4.105 4.054 4.180 . 0 0 "[ . 1]" 1
474 1 127 ALA HA 1 130 MET H 2.700 . 3.600 3.654 3.604 3.708 0.108 6 0 "[ . 1]" 1
475 1 128 ALA H 1 128 ALA MB 2.700 . 3.600 2.226 2.213 2.238 . 0 0 "[ . 1]" 1
476 1 128 ALA H 1 129 TYR H 2.100 . 2.400 2.738 2.701 2.780 0.380 9 0 "[ . 1]" 1
477 1 128 ALA H 1 129 TYR HA 3.600 . 5.500 5.325 5.300 5.367 . 0 0 "[ . 1]" 1
478 1 128 ALA H 1 130 MET H 3.200 . 4.600 4.309 4.246 4.376 . 0 0 "[ . 1]" 1
479 1 128 ALA HA 1 131 ARG H 3.500 . 5.200 3.506 3.428 3.688 . 0 0 "[ . 1]" 1
480 1 128 ALA HA 1 132 ASP H 3.600 . 5.500 4.385 4.240 4.647 . 0 0 "[ . 1]" 1
481 1 129 TYR H 1 129 TYR HB3 2.400 . 3.000 2.398 2.361 2.450 . 0 0 "[ . 1]" 1
482 1 129 TYR H 1 129 TYR HB2 2.400 . 3.000 2.777 2.691 2.834 . 0 0 "[ . 1]" 1
483 1 129 TYR H 1 130 MET H 2.200 . 2.600 2.667 2.638 2.691 0.091 7 0 "[ . 1]" 1
484 1 129 TYR H 1 131 ARG H 3.100 . 4.400 4.147 4.067 4.292 . 0 0 "[ . 1]" 1
485 1 129 TYR HA 1 132 ASP H 3.600 . 5.500 3.379 3.268 3.466 . 0 0 "[ . 1]" 1
486 1 129 TYR HA 1 133 ALA H 3.600 . 5.500 4.455 4.291 4.611 . 0 0 "[ . 1]" 1
487 1 129 TYR HB3 1 130 MET H 2.800 . 3.800 2.525 2.457 2.639 . 0 0 "[ . 1]" 1
488 1 130 MET H 1 130 MET HA 2.100 . 2.400 2.795 2.788 2.801 0.401 5 0 "[ . 1]" 1
489 1 130 MET H 1 130 MET HG2 2.800 . 3.800 3.290 2.546 4.023 0.223 9 0 "[ . 1]" 1
490 1 130 MET H 1 130 MET HB2 2.100 . 2.400 2.301 2.233 2.368 . 0 0 "[ . 1]" 1
491 1 130 MET H 1 130 MET HG3 2.600 . 3.400 3.245 2.571 3.814 0.414 8 0 "[ . 1]" 1
492 1 130 MET H 1 130 MET ME 3.700 . 5.600 4.965 4.859 5.018 . 0 0 "[ . 1]" 1
493 1 130 MET H 1 131 ARG H 2.300 . 2.800 2.811 2.785 2.851 0.051 1 0 "[ . 1]" 1
494 1 130 MET HA 1 133 ALA H 3.400 . 5.000 3.092 3.012 3.149 . 0 0 "[ . 1]" 1
495 1 131 ARG H 1 131 ARG HB2 2.100 . 2.400 2.377 2.248 2.558 0.158 2 0 "[ . 1]" 1
496 1 131 ARG H 1 131 ARG HB3 2.100 . 2.400 2.606 2.421 2.727 0.327 5 0 "[ . 1]" 1
497 1 131 ARG H 1 131 ARG HG2 3.100 . 4.400 4.394 4.342 4.450 0.050 8 0 "[ . 1]" 1
498 1 131 ARG H 1 131 ARG HG3 3.200 . 4.600 4.515 4.441 4.601 0.001 2 0 "[ . 1]" 1
499 1 131 ARG H 1 131 ARG HD3 3.600 . 5.500 5.200 5.100 5.324 . 0 0 "[ . 1]" 1
500 1 131 ARG H 1 132 ASP H 2.300 . 2.800 2.806 2.795 2.822 0.022 2 0 "[ . 1]" 1
501 1 131 ARG H 1 133 ALA H 2.900 . 4.000 4.058 4.023 4.093 0.093 5 0 "[ . 1]" 1
502 1 131 ARG HA 1 134 ILE H 3.600 . 5.500 3.434 3.371 3.523 . 0 0 "[ . 1]" 1
503 1 131 ARG HA 1 135 LEU H 3.600 . 5.500 4.311 4.139 4.469 . 0 0 "[ . 1]" 1
504 1 131 ARG HB3 1 131 ARG HE 3.100 . 4.400 3.235 1.913 3.969 . 0 0 "[ . 1]" 1
505 1 131 ARG HB3 1 132 ASP H 2.100 . 2.400 2.472 2.407 2.518 0.118 8 0 "[ . 1]" 1
506 1 131 ARG HE 1 131 ARG HG2 3.000 . 4.200 3.218 2.635 3.900 . 0 0 "[ . 1]" 1
507 1 131 ARG HG2 1 132 ASP H 3.600 . 5.500 4.512 4.345 4.648 . 0 0 "[ . 1]" 1
508 1 131 ARG HG3 1 132 ASP H 3.600 . 5.500 4.870 4.621 5.073 . 0 0 "[ . 1]" 1
509 1 131 ARG HD2 1 132 ASP H 3.600 . 5.500 4.247 2.692 5.354 . 0 0 "[ . 1]" 1
510 1 131 ARG HD3 1 132 ASP H 3.600 . 5.500 4.195 3.590 4.606 . 0 0 "[ . 1]" 1
511 1 131 ARG HE 1 132 ASP H 3.300 . 4.800 3.886 2.288 5.053 0.253 6 0 "[ . 1]" 1
512 1 131 ARG HE 1 135 LEU QD 3.900 . 6.000 3.273 2.031 4.858 . 0 0 "[ . 1]" 1
513 1 132 ASP H 1 132 ASP HA 2.100 . 2.400 2.844 2.838 2.852 0.452 5 0 "[ . 1]" 1
514 1 132 ASP H 1 132 ASP QB 2.200 . 2.600 2.206 2.194 2.215 . 0 0 "[ . 1]" 1
515 1 132 ASP H 1 133 ALA H 2.200 . 2.600 2.638 2.625 2.658 0.058 9 0 "[ . 1]" 1
516 1 132 ASP HA 1 133 ALA H 2.500 . 3.200 3.483 3.478 3.490 0.290 9 0 "[ . 1]" 1
517 1 132 ASP HA 1 135 LEU H 2.900 . 4.000 3.954 3.859 4.049 0.049 1 0 "[ . 1]" 1
518 1 132 ASP QB 1 133 ALA H 2.500 . 2.800 2.699 2.674 2.722 . 0 0 "[ . 1]" 1
519 1 133 ALA H 1 133 ALA HA 2.100 . 2.400 2.819 2.813 2.825 0.425 9 0 "[ . 1]" 1
520 1 133 ALA H 1 134 ILE H 2.200 . 2.600 2.693 2.664 2.722 0.122 1 0 "[ . 1]" 1
521 1 133 ALA H 1 135 LEU H 3.600 . 5.500 4.608 4.531 4.680 . 0 0 "[ . 1]" 1
522 1 133 ALA HA 1 134 ILE H 2.500 . 3.200 3.483 3.467 3.491 0.291 3 0 "[ . 1]" 1
523 1 133 ALA HA 1 137 ASN H 3.600 . 5.500 4.229 4.072 4.359 . 0 0 "[ . 1]" 1
524 1 134 ILE H 1 134 ILE HB 2.100 . 2.400 2.533 2.467 2.580 0.180 4 0 "[ . 1]" 1
525 1 134 ILE H 1 134 ILE MG 3.200 . 4.600 3.750 3.738 3.762 . 0 0 "[ . 1]" 1
526 1 134 ILE H 1 134 ILE HG12 2.400 . 3.000 2.741 1.963 3.240 0.240 6 0 "[ . 1]" 1
527 1 134 ILE H 1 134 ILE MD 2.800 . 3.800 3.359 3.055 3.542 . 0 0 "[ . 1]" 1
528 1 134 ILE H 1 135 LEU H 2.500 . 3.300 2.941 2.892 2.990 . 0 0 "[ . 1]" 1
529 1 134 ILE H 1 136 ALA H 2.900 . 4.000 4.351 4.313 4.384 0.384 8 0 "[ . 1]" 1
530 1 134 ILE HA 1 136 ALA H 3.600 . 5.500 4.754 4.684 4.804 . 0 0 "[ . 1]" 1
531 1 134 ILE HA 1 137 ASN H 3.200 . 4.600 4.106 4.026 4.194 . 0 0 "[ . 1]" 1
532 1 134 ILE HA 1 138 ALA H 3.600 . 5.500 4.169 4.008 4.257 . 0 0 "[ . 1]" 1
533 1 134 ILE HB 1 135 LEU H 2.600 . 3.400 2.215 2.184 2.275 . 0 0 "[ . 1]" 1
534 1 134 ILE MG 1 135 LEU H 3.900 . 6.000 3.107 2.994 3.222 . 0 0 "[ . 1]" 1
535 1 134 ILE HG12 1 135 LEU H 3.600 . 5.500 4.549 4.161 4.795 . 0 0 "[ . 1]" 1
536 1 135 LEU H 1 135 LEU HB3 2.800 . 3.800 3.458 2.651 3.574 . 0 0 "[ . 1]" 1
537 1 135 LEU H 1 135 LEU QD 4.600 . 7.400 2.126 1.764 3.622 0.036 8 0 "[ . 1]" 1
538 1 135 LEU H 1 136 ALA H 2.200 . 2.600 2.837 2.816 2.856 0.256 8 0 "[ . 1]" 1
539 1 135 LEU H 1 137 ASN H 3.600 . 5.500 4.543 4.487 4.585 . 0 0 "[ . 1]" 1
540 1 135 LEU HA 1 138 ALA H 3.500 . 5.200 3.435 3.352 3.544 . 0 0 "[ . 1]" 1
541 1 135 LEU HB3 1 136 ALA H 2.700 . 3.600 3.276 2.444 3.451 . 0 0 "[ . 1]" 1
542 1 135 LEU QD 1 136 ALA H 3.900 . 6.000 3.818 3.730 4.120 . 0 0 "[ . 1]" 1
543 1 136 ALA H 1 136 ALA HA 2.200 . 2.600 2.804 2.800 2.811 0.211 9 0 "[ . 1]" 1
544 1 136 ALA H 1 136 ALA MB 2.600 . 3.400 2.291 2.263 2.310 . 0 0 "[ . 1]" 1
545 1 136 ALA H 1 137 ASN H 2.100 . 2.400 2.857 2.843 2.870 0.470 8 0 "[ . 1]" 1
546 1 136 ALA H 1 137 ASN HB2 3.600 . 5.500 5.032 4.897 5.301 . 0 0 "[ . 1]" 1
547 1 136 ALA H 1 137 ASN HB3 3.600 . 5.500 5.153 4.842 5.318 . 0 0 "[ . 1]" 1
548 1 136 ALA H 1 139 VAL MG2 4.200 . 6.600 4.377 4.275 4.522 . 0 0 "[ . 1]" 1
549 1 136 ALA HA 1 139 VAL H 2.800 . 3.800 3.475 3.406 3.546 . 0 0 "[ . 1]" 1
550 1 136 ALA HA 1 140 ARG H 2.700 . 3.600 3.981 3.941 4.041 0.441 7 0 "[ . 1]" 1
551 1 137 ASN H 1 137 ASN HB2 2.900 . 4.000 2.307 2.188 2.547 . 0 0 "[ . 1]" 1
552 1 137 ASN H 1 137 ASN HB3 2.500 . 3.200 2.681 2.388 2.829 . 0 0 "[ . 1]" 1
553 1 137 ASN H 1 137 ASN HD21 3.600 . 5.500 4.840 4.445 4.992 . 0 0 "[ . 1]" 1
554 1 137 ASN H 1 137 ASN HD22 3.600 . 5.500 5.747 5.593 5.809 0.309 3 0 "[ . 1]" 1
555 1 137 ASN H 1 138 ALA H 2.300 . 2.800 2.680 2.637 2.729 . 0 0 "[ . 1]" 1
556 1 137 ASN H 1 138 ALA MB 4.200 . 6.600 4.382 4.332 4.434 . 0 0 "[ . 1]" 1
557 1 137 ASN H 1 139 VAL H 3.600 . 5.400 4.258 4.180 4.300 . 0 0 "[ . 1]" 1
558 1 137 ASN HA 1 138 ALA H 2.700 . 3.600 3.525 3.519 3.533 . 0 0 "[ . 1]" 1
559 1 137 ASN HA 1 140 ARG H 2.600 . 3.400 3.706 3.688 3.727 0.327 8 0 "[ . 1]" 1
560 1 137 ASN HA 1 140 ARG HE 2.500 . 3.200 1.818 1.781 1.885 0.019 9 0 "[ . 1]" 1
561 1 137 ASN HB2 1 138 ALA H 3.600 . 5.500 3.616 3.499 3.843 . 0 0 "[ . 1]" 1
562 1 137 ASN HB3 1 138 ALA H 3.400 . 5.000 2.458 2.410 2.490 . 0 0 "[ . 1]" 1
563 1 138 ALA H 1 139 VAL H 2.400 . 3.000 2.758 2.743 2.770 . 0 0 "[ . 1]" 1
564 1 138 ALA H 1 139 VAL MG1 4.200 . 6.600 5.764 5.745 5.775 . 0 0 "[ . 1]" 1
565 1 138 ALA H 1 139 VAL MG2 3.900 . 6.000 4.356 4.299 4.410 . 0 0 "[ . 1]" 1
566 1 138 ALA H 1 140 ARG H 3.000 . 4.200 4.297 4.284 4.308 0.108 2 0 "[ . 1]" 1
567 1 138 ALA HA 1 140 ARG H 3.600 . 5.500 4.554 4.531 4.585 . 0 0 "[ . 1]" 1
568 1 138 ALA HA 1 141 HIS H 3.000 . 4.200 3.521 3.494 3.565 . 0 0 "[ . 1]" 1
569 1 138 ALA MB 1 140 ARG H 4.200 . 6.600 4.614 4.593 4.645 . 0 0 "[ . 1]" 1
570 1 138 ALA MB 1 141 HIS H 4.200 . 6.600 4.448 4.423 4.462 . 0 0 "[ . 1]" 1
571 1 139 VAL H 1 139 VAL HA 2.300 . 2.800 2.760 2.751 2.766 . 0 0 "[ . 1]" 1
572 1 139 VAL H 1 139 VAL HB 2.400 . 3.000 2.227 2.215 2.239 . 0 0 "[ . 1]" 1
573 1 139 VAL H 1 139 VAL MG2 2.600 . 3.400 2.195 2.156 2.237 . 0 0 "[ . 1]" 1
574 1 139 VAL H 1 140 ARG H 2.400 . 3.000 2.898 2.887 2.908 . 0 0 "[ . 1]" 1
575 1 139 VAL H 1 141 HIS H 3.000 . 4.200 3.963 3.942 3.993 . 0 0 "[ . 1]" 1
576 1 139 VAL HA 1 141 HIS H 3.500 . 5.200 3.813 3.716 3.893 . 0 0 "[ . 1]" 1
577 1 139 VAL HA 1 142 THR H 2.900 . 4.000 3.467 3.090 3.724 . 0 0 "[ . 1]" 1
578 1 139 VAL HB 1 140 ARG H 2.300 . 2.800 2.625 2.604 2.655 . 0 0 "[ . 1]" 1
579 1 139 VAL HB 1 141 HIS H 3.200 . 4.600 4.659 4.645 4.695 0.095 4 0 "[ . 1]" 1
580 1 139 VAL MG1 1 140 ARG H 2.800 . 3.800 3.053 3.023 3.093 . 0 0 "[ . 1]" 1
581 1 139 VAL MG1 1 141 HIS H 3.900 . 6.000 4.423 4.365 4.473 . 0 0 "[ . 1]" 1
582 1 139 VAL MG1 1 142 THR H 3.600 . 5.400 4.957 4.134 5.246 . 0 0 "[ . 1]" 1
583 1 140 ARG H 1 140 ARG QB 3.100 . 4.400 2.725 2.717 2.738 . 0 0 "[ . 1]" 1
584 1 140 ARG H 1 140 ARG HG3 2.200 . 2.600 2.812 2.791 2.839 0.239 5 0 "[ . 1]" 1
585 1 140 ARG H 1 140 ARG QD 3.600 . 5.400 4.108 4.065 4.141 . 0 0 "[ . 1]" 1
586 1 140 ARG H 1 141 HIS H 2.100 . 2.400 2.554 2.542 2.568 0.168 1 0 "[ . 1]" 1
587 1 140 ARG H 1 142 THR H 3.600 . 5.500 4.436 3.930 4.608 . 0 0 "[ . 1]" 1
588 1 140 ARG HG3 1 141 HIS H 2.600 . 3.400 2.473 2.426 2.543 . 0 0 "[ . 1]" 1
589 1 140 ARG HG3 1 142 THR H 3.600 . 5.500 4.803 4.557 4.898 . 0 0 "[ . 1]" 1
590 1 140 ARG HE 1 141 HIS HE1 2.800 . 3.800 2.817 2.324 3.543 . 0 0 "[ . 1]" 1
591 1 141 HIS H 1 141 HIS HA 2.100 . 2.400 2.949 2.944 2.959 0.559 1 10 [+******-**] 1
592 1 141 HIS H 1 141 HIS QB 2.100 . 2.400 2.338 2.228 2.397 . 0 0 "[ . 1]" 1
593 1 141 HIS H 1 142 THR H 2.100 . 2.400 2.415 2.159 2.529 0.129 8 0 "[ . 1]" 1
594 1 141 HIS H 1 142 THR HB 3.000 . 4.200 4.191 4.001 4.576 0.376 1 0 "[ . 1]" 1
595 1 141 HIS QB 1 142 THR H 2.700 . 3.200 2.349 2.164 3.204 0.004 5 0 "[ . 1]" 1
596 1 142 THR H 1 142 THR HA 2.400 . 3.000 2.465 2.316 2.977 . 0 0 "[ . 1]" 1
597 1 142 THR H 1 142 THR HB 2.300 . 2.800 2.922 2.407 3.104 0.304 10 0 "[ . 1]" 1
598 1 53 ILE HB 1 53 ILE QG 2.100 . 2.400 2.362 2.196 2.477 0.077 4 0 "[ . 1]" 1
599 1 54 GLN HA 1 54 GLN HG2 2.300 . 2.800 2.562 2.378 2.786 . 0 0 "[ . 1]" 1
600 1 55 ASP HA 1 55 ASP QB 2.100 . 2.400 2.363 2.302 2.420 0.020 4 0 "[ . 1]" 1
601 1 56 GLU HA 1 56 GLU HB2 2.200 . 2.600 2.998 2.995 2.999 0.399 5 0 "[ . 1]" 1
602 1 56 GLU HA 1 56 GLU HB3 2.100 . 2.400 2.357 2.350 2.367 . 0 0 "[ . 1]" 1
603 1 56 GLU HA 1 56 GLU HG2 2.100 . 2.400 2.561 2.529 2.579 0.179 8 0 "[ . 1]" 1
604 1 58 ASP HA 1 58 ASP HB3 2.200 . 2.600 2.574 2.548 2.600 0.000 7 0 "[ . 1]" 1
605 1 58 ASP HA 1 58 ASP HB2 2.200 . 2.600 3.004 3.002 3.005 0.405 10 0 "[ . 1]" 1
606 1 59 GLU HA 1 59 GLU QG 2.900 . 4.000 2.389 2.259 2.609 . 0 0 "[ . 1]" 1
607 1 60 LEU HA 1 60 LEU QD 2.600 . 3.400 2.115 1.980 2.225 . 0 0 "[ . 1]" 1
608 1 60 LEU HA 1 63 ARG HB2 3.000 . 4.200 2.569 2.436 2.729 . 0 0 "[ . 1]" 1
609 1 60 LEU HA 1 63 ARG HB3 3.300 . 4.800 2.390 2.318 2.500 . 0 0 "[ . 1]" 1
610 1 60 LEU HA 1 63 ARG HD2 3.600 . 5.500 4.781 3.461 5.517 0.017 7 0 "[ . 1]" 1
611 1 60 LEU HA 1 63 ARG HD3 3.400 . 5.000 4.563 4.349 4.756 . 0 0 "[ . 1]" 1
612 1 60 LEU QB 1 60 LEU HG 2.100 . 2.400 2.334 2.161 2.445 0.045 4 0 "[ . 1]" 1
613 1 60 LEU QB 1 60 LEU QD 2.600 . 3.400 1.957 1.914 2.027 . 0 0 "[ . 1]" 1
614 1 60 LEU HG 1 64 PHE QD 4.700 . 7.600 5.095 4.963 5.479 . 0 0 "[ . 1]" 1
615 1 60 LEU HG 1 64 PHE QE 4.700 . 7.600 4.997 4.599 5.264 . 0 0 "[ . 1]" 1
616 1 60 LEU QD 1 63 ARG HB2 4.200 . 6.600 3.331 3.081 3.673 . 0 0 "[ . 1]" 1
617 1 60 LEU QD 1 63 ARG HD2 4.200 . 6.600 3.990 2.174 5.232 . 0 0 "[ . 1]" 1
618 1 60 LEU QD 1 63 ARG HD3 3.400 . 5.000 3.847 3.271 4.215 . 0 0 "[ . 1]" 1
619 1 60 LEU QD 1 64 PHE QE 4.000 . 6.200 2.294 2.083 2.881 . 0 0 "[ . 1]" 1
620 1 60 LEU QD 1 82 ALA HA 3.100 . 4.400 3.605 3.140 4.362 . 0 0 "[ . 1]" 1
621 1 60 LEU QD 1 82 ALA MB 3.800 . 5.800 2.947 2.478 3.758 . 0 0 "[ . 1]" 1
622 1 60 LEU QD 1 85 ASP HB2 3.000 . 4.200 4.057 3.637 4.481 0.281 6 0 "[ . 1]" 1
623 1 60 LEU QD 1 85 ASP HB3 3.100 . 4.400 2.761 2.360 3.112 . 0 0 "[ . 1]" 1
624 1 60 LEU QD 1 86 HIS HA 4.200 . 6.600 2.207 2.069 2.560 . 0 0 "[ . 1]" 1
625 1 60 LEU QD 1 86 HIS QB 3.500 . 5.300 2.747 2.539 2.960 . 0 0 "[ . 1]" 1
626 1 61 THR HA 1 64 PHE QD 4.700 . 7.600 3.861 3.298 4.335 . 0 0 "[ . 1]" 1
627 1 61 THR MG 1 65 VAL QG 4.700 . 7.600 2.149 2.076 2.257 . 0 0 "[ . 1]" 1
628 1 61 THR MG 1 122 ALA MB 4.700 . 7.600 3.158 2.839 3.546 . 0 0 "[ . 1]" 1
629 1 62 ARG HA 1 62 ARG HG3 2.500 . 3.200 2.564 2.511 2.620 . 0 0 "[ . 1]" 1
630 1 62 ARG HA 1 62 ARG HG2 2.500 . 3.200 2.684 2.593 2.738 . 0 0 "[ . 1]" 1
631 1 62 ARG HA 1 62 ARG HD3 3.600 . 5.500 4.609 4.541 4.693 . 0 0 "[ . 1]" 1
632 1 62 ARG HA 1 62 ARG HD2 3.200 . 4.600 4.514 4.406 4.635 0.035 2 0 "[ . 1]" 1
633 1 62 ARG HA 1 65 VAL QG 4.200 . 6.600 3.019 2.971 3.045 . 0 0 "[ . 1]" 1
634 1 62 ARG HB2 1 62 ARG HG3 2.100 . 2.400 2.380 2.354 2.403 0.003 5 0 "[ . 1]" 1
635 1 62 ARG HB2 1 62 ARG HG2 2.200 . 2.600 3.015 3.010 3.019 0.419 8 0 "[ . 1]" 1
636 1 62 ARG HB2 1 62 ARG HD3 3.000 . 4.200 3.428 3.195 3.582 . 0 0 "[ . 1]" 1
637 1 62 ARG HB3 1 62 ARG HG2 2.200 . 2.600 2.558 2.529 2.593 . 0 0 "[ . 1]" 1
638 1 62 ARG HB3 1 62 ARG HD2 2.800 . 3.800 2.776 2.657 2.898 . 0 0 "[ . 1]" 1
639 1 62 ARG HD3 1 62 ARG HG3 2.200 . 2.600 2.731 2.295 3.025 0.425 7 0 "[ . 1]" 1
640 1 62 ARG HD2 1 62 ARG HG3 2.200 . 2.600 2.711 2.445 2.987 0.387 9 0 "[ . 1]" 1
641 1 62 ARG HD3 1 62 ARG HG2 2.200 . 2.600 2.518 2.370 2.702 0.102 1 0 "[ . 1]" 1
642 1 62 ARG HD2 1 62 ARG HG2 2.200 . 2.600 2.736 2.307 3.025 0.425 7 0 "[ . 1]" 1
643 1 62 ARG HG2 1 65 VAL QG 4.200 . 6.600 4.323 4.254 4.417 . 0 0 "[ . 1]" 1
644 1 63 ARG HA 1 63 ARG HB2 2.400 . 3.000 2.588 2.557 2.625 . 0 0 "[ . 1]" 1
645 1 63 ARG HA 1 63 ARG HD2 3.600 . 5.500 3.173 2.299 4.518 . 0 0 "[ . 1]" 1
646 1 63 ARG HB2 1 63 ARG HD2 2.800 . 3.800 3.093 2.809 3.562 . 0 0 "[ . 1]" 1
647 1 63 ARG HB2 1 63 ARG HD3 2.800 . 3.800 2.896 2.311 3.808 0.008 4 0 "[ . 1]" 1
648 1 63 ARG HB2 1 82 ALA MB 4.200 . 6.600 5.191 5.044 5.335 . 0 0 "[ . 1]" 1
649 1 63 ARG HB3 1 82 ALA MB 4.000 . 6.200 4.074 3.890 4.265 . 0 0 "[ . 1]" 1
650 1 63 ARG HD2 1 63 ARG HG3 2.300 . 2.800 2.446 2.379 2.573 . 0 0 "[ . 1]" 1
651 1 63 ARG HD3 1 63 ARG HG3 2.200 . 2.600 3.032 3.019 3.037 0.437 1 0 "[ . 1]" 1
652 1 63 ARG HD2 1 63 ARG HG2 2.400 . 3.000 3.022 3.015 3.027 0.027 10 0 "[ . 1]" 1
653 1 63 ARG HD2 1 82 ALA MB 4.200 . 6.600 4.213 2.374 5.485 . 0 0 "[ . 1]" 1
654 1 63 ARG HD3 1 82 ALA MB 4.200 . 6.600 4.249 2.324 5.316 . 0 0 "[ . 1]" 1
655 1 64 PHE HA 1 129 TYR QE 3.600 . 5.500 4.199 3.694 4.518 . 0 0 "[ . 1]" 1
656 1 64 PHE HA 1 65 VAL QG 4.200 . 6.600 4.647 4.635 4.674 . 0 0 "[ . 1]" 1
657 1 64 PHE HA 1 67 LEU HB2 3.600 . 5.500 3.334 3.202 3.418 . 0 0 "[ . 1]" 1
658 1 64 PHE HA 1 67 LEU HB3 3.600 . 5.500 4.437 4.360 4.483 . 0 0 "[ . 1]" 1
659 1 64 PHE HA 1 67 LEU MD1 2.900 . 4.000 2.090 2.048 2.196 . 0 0 "[ . 1]" 1
660 1 64 PHE HB2 1 65 VAL QG 3.100 . 4.400 3.340 3.291 3.412 . 0 0 "[ . 1]" 1
661 1 64 PHE HB3 1 65 VAL QG 3.000 . 4.200 3.439 3.324 3.515 . 0 0 "[ . 1]" 1
662 1 64 PHE HB3 1 74 ALA MB 4.200 . 6.600 6.774 6.689 6.853 0.253 8 0 "[ . 1]" 1
663 1 64 PHE QD 1 82 ALA MB 5.200 . 6.600 3.569 3.244 3.983 . 0 0 "[ . 1]" 1
664 1 64 PHE QD 1 126 LEU MD1 5.200 . 8.600 5.211 4.860 5.675 . 0 0 "[ . 1]" 1
665 1 64 PHE QD 1 130 MET ME 5.200 . 8.600 2.948 2.432 3.495 . 0 0 "[ . 1]" 1
666 1 64 PHE QE 1 79 ALA MB 5.200 . 8.600 3.854 2.654 4.741 . 0 0 "[ . 1]" 1
667 1 64 PHE QE 1 82 ALA MB . . 3.800 2.597 2.075 3.210 . 0 0 "[ . 1]" 1
668 1 64 PHE QE 1 83 ALA HA 4.700 . 7.600 3.599 3.369 3.691 . 0 0 "[ . 1]" 1
669 1 64 PHE QE 1 83 ALA MB 5.200 . 8.600 3.680 3.517 3.794 . 0 0 "[ . 1]" 1
670 1 86 HIS HA 1 86 HIS HD2 . . 4.600 2.387 2.333 2.546 . 0 0 "[ . 1]" 1
671 1 64 PHE QE 1 130 MET ME 5.200 . 8.600 3.312 2.574 4.185 . 0 0 "[ . 1]" 1
672 1 64 PHE QE 1 133 ALA MB . . 2.400 2.310 2.087 2.573 0.173 8 0 "[ . 1]" 1
673 1 68 MET ME 1 129 TYR QE 4.200 . 6.600 5.403 4.246 5.726 . 0 0 "[ . 1]" 1
674 1 74 ALA MB 1 129 TYR QE 4.200 . 6.600 2.776 2.576 3.046 . 0 0 "[ . 1]" 1
675 1 79 ALA MB 1 129 TYR QE . . 3.800 3.787 3.608 3.946 0.146 1 0 "[ . 1]" 1
676 1 65 VAL HA 1 68 MET ME 4.200 . 6.600 2.698 2.335 4.648 . 0 0 "[ . 1]" 1
677 1 65 VAL QG 1 68 MET ME 4.700 . 7.600 2.491 2.209 4.257 . 0 0 "[ . 1]" 1
678 1 65 VAL QG 1 122 ALA MB 4.700 . 7.600 3.987 3.929 4.126 . 0 0 "[ . 1]" 1
679 1 65 VAL QG 1 123 LYS QB 3.300 . 4.800 2.753 2.602 2.978 . 0 0 "[ . 1]" 1
680 1 65 VAL QG 1 123 LYS HG3 4.200 . 6.600 2.507 2.073 4.092 . 0 0 "[ . 1]" 1
681 1 65 VAL QG 1 123 LYS QD 3.300 . 4.800 2.101 1.895 2.205 . 0 0 "[ . 1]" 1
682 1 65 VAL QG 1 123 LYS HA 4.200 . 6.600 4.734 4.530 5.163 . 0 0 "[ . 1]" 1
683 1 66 ALA HA 1 69 ASP HB2 2.600 . 3.400 2.869 2.787 2.934 . 0 0 "[ . 1]" 1
684 1 66 ALA HA 1 69 ASP HB3 3.100 . 4.400 2.982 2.753 3.065 . 0 0 "[ . 1]" 1
685 1 67 LEU HA 1 67 LEU HG 2.800 . 3.800 3.245 3.147 3.326 . 0 0 "[ . 1]" 1
686 1 67 LEU HA 1 67 LEU MD2 4.200 . 6.600 2.194 2.133 2.217 . 0 0 "[ . 1]" 1
687 1 67 LEU HA 1 67 LEU MD1 3.600 . 5.400 3.842 3.761 3.880 . 0 0 "[ . 1]" 1
688 1 67 LEU HB3 1 67 LEU HG 2.200 . 2.600 2.973 2.962 2.985 0.385 10 0 "[ . 1]" 1
689 1 67 LEU HB3 1 67 LEU MD1 2.800 . 3.800 2.355 2.273 2.415 . 0 0 "[ . 1]" 1
690 1 67 LEU MD2 1 70 ALA MB 4.700 . 7.600 4.000 3.832 4.086 . 0 0 "[ . 1]" 1
691 1 67 LEU MD2 1 72 GLU QB 3.500 . 5.200 3.801 3.211 4.120 . 0 0 "[ . 1]" 1
692 1 67 LEU MD2 1 72 GLU HG2 2.900 . 4.000 3.680 2.538 4.108 0.108 4 0 "[ . 1]" 1
693 1 67 LEU MD2 1 72 GLU HG3 3.300 . 4.800 3.337 2.417 3.791 . 0 0 "[ . 1]" 1
694 1 67 LEU MD2 1 78 GLY HA2 4.200 . 6.600 5.373 5.342 5.407 . 0 0 "[ . 1]" 1
695 1 67 LEU MD2 1 78 GLY HA3 4.200 . 6.600 4.397 4.324 4.488 . 0 0 "[ . 1]" 1
696 1 67 LEU MD2 1 79 ALA HA 4.200 . 6.600 3.328 2.873 3.856 . 0 0 "[ . 1]" 1
697 1 67 LEU MD2 1 79 ALA MB 4.700 . 7.600 3.170 2.616 3.673 . 0 0 "[ . 1]" 1
698 1 67 LEU MD1 1 79 ALA HA 2.600 . 3.400 2.176 2.082 2.318 . 0 0 "[ . 1]" 1
699 1 67 LEU MD1 1 79 ALA MB 3.700 . 5.600 2.073 2.008 2.138 . 0 0 "[ . 1]" 1
700 1 68 MET HA 1 68 MET HG3 2.800 . 3.800 3.368 3.249 3.403 . 0 0 "[ . 1]" 1
701 1 68 MET HA 1 68 MET HG2 2.400 . 3.000 2.346 2.331 2.393 . 0 0 "[ . 1]" 1
702 1 68 MET HA 1 68 MET ME 4.200 . 6.600 4.109 3.300 4.228 . 0 0 "[ . 1]" 1
703 1 68 MET HB2 1 68 MET HG3 2.100 . 2.400 2.313 2.300 2.353 . 0 0 "[ . 1]" 1
704 1 68 MET HB2 1 68 MET HG2 2.500 . 3.200 3.000 2.992 3.016 . 0 0 "[ . 1]" 1
705 1 68 MET HB3 1 68 MET HG3 2.300 . 2.800 2.978 2.966 2.999 0.199 9 0 "[ . 1]" 1
706 1 68 MET HB3 1 68 MET HG2 2.100 . 2.400 2.678 2.581 2.716 0.316 1 0 "[ . 1]" 1
707 1 68 MET ME 1 126 LEU HA 4.200 . 6.600 2.673 2.288 2.894 . 0 0 "[ . 1]" 1
708 1 68 MET ME 1 129 TYR HB3 4.200 . 6.600 4.045 2.629 4.424 . 0 0 "[ . 1]" 1
709 1 68 MET ME 1 129 TYR HB2 4.200 . 6.600 4.385 2.255 4.838 . 0 0 "[ . 1]" 1
710 1 69 ASP HA 1 69 ASP HB2 2.300 . 2.800 2.473 2.452 2.490 . 0 0 "[ . 1]" 1
711 1 70 ALA MB 1 72 GLU QB 4.200 . 6.600 3.382 2.882 3.772 . 0 0 "[ . 1]" 1
712 1 70 ALA MB 1 72 GLU HG2 3.300 . 4.800 2.274 2.002 3.268 . 0 0 "[ . 1]" 1
713 1 70 ALA MB 1 72 GLU HG3 3.000 . 4.200 2.980 2.173 3.307 . 0 0 "[ . 1]" 1
714 1 70 ALA MB 1 73 PRO HD2 4.200 . 6.600 5.383 5.326 5.408 . 0 0 "[ . 1]" 1
715 1 70 ALA MB 1 73 PRO HD3 4.200 . 6.600 5.657 5.634 5.672 . 0 0 "[ . 1]" 1
716 1 72 GLU HA 1 72 GLU QB 2.200 . 2.600 2.215 2.190 2.306 . 0 0 "[ . 1]" 1
717 1 72 GLU HA 1 73 PRO HD2 2.100 . 2.400 2.640 2.426 2.702 0.302 3 0 "[ . 1]" 1
718 1 72 GLU HA 1 73 PRO HD3 2.200 . 2.600 2.368 2.353 2.386 . 0 0 "[ . 1]" 1
719 1 72 GLU QB 1 72 GLU HG2 2.200 . 2.600 2.326 2.146 2.427 . 0 0 "[ . 1]" 1
720 1 67 LEU HA 1 72 GLU QB 2.500 . 3.300 4.113 3.450 4.344 1.044 8 8 "[* **.**+*-]" 1
721 1 72 GLU QB 1 72 GLU HG3 2.200 . 2.600 2.290 2.179 2.368 . 0 0 "[ . 1]" 1
722 1 67 LEU HA 1 72 GLU HG2 3.600 . 5.500 2.868 2.605 3.039 . 0 0 "[ . 1]" 1
723 1 67 LEU HA 1 72 GLU HG3 3.600 . 5.500 2.605 2.324 2.861 . 0 0 "[ . 1]" 1
724 1 74 ALA HA 1 79 ALA MB 3.300 . 4.800 2.747 2.703 2.793 . 0 0 "[ . 1]" 1
725 1 74 ALA HA 1 133 ALA MB 4.200 . 6.600 4.003 3.817 4.191 . 0 0 "[ . 1]" 1
726 1 74 ALA MB 1 79 ALA HA 4.400 . 7.000 6.208 6.142 6.272 . 0 0 "[ . 1]" 1
727 1 74 ALA MB 1 79 ALA MB 4.700 . 7.600 3.738 3.673 3.818 . 0 0 "[ . 1]" 1
728 1 74 ALA MB 1 132 ASP HA 4.200 . 6.600 4.345 4.010 4.524 . 0 0 "[ . 1]" 1
729 1 74 ALA MB 1 132 ASP QB 2.700 . 3.600 2.375 2.097 2.521 . 0 0 "[ . 1]" 1
730 1 74 ALA MB 1 133 ALA HA 3.100 . 4.400 2.333 2.230 2.479 . 0 0 "[ . 1]" 1
731 1 74 ALA MB 1 133 ALA MB 4.700 . 7.600 2.624 2.511 2.786 . 0 0 "[ . 1]" 1
732 1 75 ASP HA 1 75 ASP HB2 2.100 . 2.400 2.524 2.491 2.547 0.147 3 0 "[ . 1]" 1
733 1 75 ASP HA 1 75 ASP HB3 2.200 . 2.600 3.013 3.010 3.015 0.415 4 0 "[ . 1]" 1
734 1 75 ASP HA 1 80 MET ME 4.200 . 6.600 2.827 2.605 2.980 . 0 0 "[ . 1]" 1
735 1 75 ASP HA 1 136 ALA MB 2.600 . 3.400 2.603 2.515 2.670 . 0 0 "[ . 1]" 1
736 1 75 ASP HB2 1 136 ALA MB 2.900 . 4.000 2.797 2.716 2.894 . 0 0 "[ . 1]" 1
737 1 75 ASP HB3 1 136 ALA MB 4.200 . 6.600 4.082 4.010 4.199 . 0 0 "[ . 1]" 1
738 1 76 SER HA 1 80 MET ME 4.400 . 7.000 5.419 5.343 5.539 . 0 0 "[ . 1]" 1
739 1 77 GLU HA 1 80 MET ME 4.200 . 6.600 4.339 4.197 4.427 . 0 0 "[ . 1]" 1
740 1 79 ALA HA 1 82 ALA MB 4.200 . 6.600 2.311 2.258 2.364 . 0 0 "[ . 1]" 1
741 1 79 ALA MB 1 82 ALA MB 4.700 . 7.600 3.555 3.517 3.586 . 0 0 "[ . 1]" 1
742 1 80 MET HA 1 80 MET ME 4.200 . 6.600 4.164 4.075 4.244 . 0 0 "[ . 1]" 1
743 1 80 MET HA 1 83 ALA MB 4.200 . 6.600 2.204 2.153 2.262 . 0 0 "[ . 1]" 1
744 1 80 MET HA 1 133 ALA MB 4.200 . 6.600 4.340 4.147 4.491 . 0 0 "[ . 1]" 1
745 1 80 MET HB2 1 80 MET ME 4.200 . 6.600 3.273 3.168 3.339 . 0 0 "[ . 1]" 1
746 1 80 MET HG3 1 83 ALA MB 4.200 . 6.600 5.167 5.089 5.250 . 0 0 "[ . 1]" 1
747 1 80 MET HG2 1 83 ALA MB 4.200 . 6.600 4.258 4.190 4.345 . 0 0 "[ . 1]" 1
748 1 80 MET HG2 1 136 ALA MB 3.600 . 5.400 3.835 3.679 3.970 . 0 0 "[ . 1]" 1
749 1 80 MET ME 1 136 ALA MB 4.700 . 7.600 2.398 2.273 2.557 . 0 0 "[ . 1]" 1
750 1 80 MET ME 1 137 ASN HA 4.200 . 6.600 2.292 2.175 2.379 . 0 0 "[ . 1]" 1
751 1 80 MET ME 1 140 ARG HG3 4.200 . 6.600 3.630 3.599 3.714 . 0 0 "[ . 1]" 1
752 1 81 ASP HA 1 81 ASP HB2 2.300 . 2.800 2.433 2.429 2.437 . 0 0 "[ . 1]" 1
753 1 82 ALA HA 1 85 ASP HB2 2.500 . 3.200 2.699 2.594 2.781 . 0 0 "[ . 1]" 1
754 1 82 ALA HA 1 85 ASP HB3 2.400 . 3.000 2.872 2.792 2.954 . 0 0 "[ . 1]" 1
755 1 82 ALA MB 1 83 ALA MB 4.700 . 7.600 3.796 3.763 3.828 . 0 0 "[ . 1]" 1
756 1 64 PHE HZ 1 82 ALA MB 4.200 . 4.800 2.745 2.568 3.018 . 0 0 "[ . 1]" 1
757 1 83 ALA HA 1 86 HIS HA 3.600 . 5.500 4.901 4.802 4.982 . 0 0 "[ . 1]" 1
758 1 83 ALA HA 1 86 HIS QB 3.400 . 5.000 2.270 2.180 2.317 . 0 0 "[ . 1]" 1
759 1 83 ALA MB 1 133 ALA MB 4.700 . 7.600 3.171 2.970 3.379 . 0 0 "[ . 1]" 1
760 1 83 ALA MB 1 134 ILE HA 4.200 . 6.600 3.406 3.192 3.663 . 0 0 "[ . 1]" 1
761 1 83 ALA MB 1 137 ASN HB2 3.800 . 5.800 2.262 2.123 2.491 . 0 0 "[ . 1]" 1
762 1 83 ALA MB 1 137 ASN HB3 3.300 . 4.800 2.773 2.616 2.969 . 0 0 "[ . 1]" 1
763 1 85 ASP HA 1 85 ASP HB2 2.400 . 3.000 2.703 2.700 2.708 . 0 0 "[ . 1]" 1
764 1 85 ASP HA 1 88 GLN HB2 3.600 . 5.500 2.900 2.693 2.984 . 0 0 "[ . 1]" 1
765 1 85 ASP HA 1 88 GLN HB3 3.600 . 5.500 2.717 2.626 2.914 . 0 0 "[ . 1]" 1
766 1 85 ASP HA 1 88 GLN QG 3.600 . 5.500 4.081 3.947 4.312 . 0 0 "[ . 1]" 1
767 1 102 HIS HD2 1 133 ALA MB 4.200 . 6.600 6.652 6.514 6.770 0.170 7 0 "[ . 1]" 1
768 1 88 GLN HA 1 88 GLN HB2 2.200 . 2.600 2.574 2.507 2.664 0.064 1 0 "[ . 1]" 1
769 1 88 GLN HA 1 88 GLN HB3 2.300 . 2.800 3.016 3.007 3.026 0.226 7 0 "[ . 1]" 1
770 1 88 GLN HA 1 88 GLN QG 2.400 . 3.000 2.541 2.287 2.778 . 0 0 "[ . 1]" 1
771 1 88 GLN HA 1 91 ALA MB 4.200 . 6.600 3.000 2.809 3.147 . 0 0 "[ . 1]" 1
772 1 88 GLN HB2 1 88 GLN QG 2.300 . 2.800 2.389 2.196 2.580 . 0 0 "[ . 1]" 1
773 1 88 GLN HB3 1 88 GLN QG 2.400 . 3.000 2.218 2.176 2.383 . 0 0 "[ . 1]" 1
774 1 92 ARG HA 1 92 ARG HG2 2.900 . 4.000 3.249 2.421 3.736 . 0 0 "[ . 1]" 1
775 1 92 ARG HA 1 92 ARG QD 3.000 . 4.200 3.089 2.080 4.083 . 0 0 "[ . 1]" 1
776 1 92 ARG HB2 1 92 ARG HG2 2.200 . 2.600 2.713 2.408 3.018 0.418 6 0 "[ . 1]" 1
777 1 92 ARG HB2 1 92 ARG QD 2.600 . 3.400 2.600 2.365 3.157 . 0 0 "[ . 1]" 1
778 1 92 ARG HB3 1 92 ARG HG2 2.100 . 2.400 2.503 2.417 2.551 0.151 2 0 "[ . 1]" 1
779 1 92 ARG HB3 1 92 ARG HG3 2.200 . 2.600 2.688 2.381 2.995 0.395 6 0 "[ . 1]" 1
780 1 92 ARG HB3 1 92 ARG QD 2.600 . 3.400 2.892 2.253 3.520 0.120 9 0 "[ . 1]" 1
781 1 99 TYR HA 1 138 ALA MB 4.200 . 6.600 4.098 3.877 4.324 . 0 0 "[ . 1]" 1
782 1 99 TYR HB2 1 138 ALA MB 3.700 . 5.600 4.213 3.863 4.529 . 0 0 "[ . 1]" 1
783 1 99 TYR HB3 1 138 ALA HA 3.600 . 5.500 3.534 3.129 3.856 . 0 0 "[ . 1]" 1
784 1 99 TYR HB3 1 138 ALA MB 3.500 . 5.200 2.783 2.486 3.081 . 0 0 "[ . 1]" 1
785 1 102 HIS HA 1 105 LEU MD1 4.200 . 6.600 2.361 2.273 2.444 . 0 0 "[ . 1]" 1
786 1 86 HIS HE1 1 105 LEU MD2 4.200 . 6.600 3.602 2.755 4.405 . 0 0 "[ . 1]" 1
787 1 103 THR HA 1 134 ILE MG 4.000 . 6.200 2.241 2.152 2.340 . 0 0 "[ . 1]" 1
788 1 103 THR HA 1 135 LEU MD1 4.200 . 6.600 4.084 3.242 5.310 . 0 0 "[ . 1]" 1
789 1 103 THR HA 1 138 ALA MB 4.200 . 6.600 4.624 4.450 4.827 . 0 0 "[ . 1]" 1
790 1 103 THR HB 1 134 ILE MG 3.200 . 4.600 4.596 4.509 4.733 0.133 4 0 "[ . 1]" 1
791 1 103 THR HB 1 135 LEU MD1 4.200 . 6.600 5.378 4.720 6.595 . 0 0 "[ . 1]" 1
792 1 103 THR MG 1 134 ILE MG 3.700 . 5.600 3.305 2.923 3.613 . 0 0 "[ . 1]" 1
793 1 103 THR MG 1 135 LEU HA 4.200 . 6.600 4.333 4.012 4.755 . 0 0 "[ . 1]" 1
794 1 103 THR MG 1 135 LEU MD1 4.700 . 7.600 2.869 2.412 3.861 . 0 0 "[ . 1]" 1
795 1 103 THR MG 1 138 ALA MB 4.700 . 7.600 4.087 3.734 4.423 . 0 0 "[ . 1]" 1
796 1 105 LEU HA 1 105 LEU MD1 4.200 . 6.600 2.936 2.907 2.968 . 0 0 "[ . 1]" 1
797 1 105 LEU HA 1 105 LEU MD2 4.200 . 6.600 3.601 3.592 3.609 . 0 0 "[ . 1]" 1
798 1 106 GLY HA3 1 134 ILE MG 4.200 . 6.600 3.566 3.060 3.810 . 0 0 "[ . 1]" 1
799 1 106 GLY HA3 1 134 ILE MD 4.200 . 6.600 3.446 2.216 5.388 . 0 0 "[ . 1]" 1
800 1 106 GLY HA2 1 134 ILE MG 4.200 . 6.600 4.184 3.564 4.430 . 0 0 "[ . 1]" 1
801 1 106 GLY HA2 1 134 ILE MD 4.200 . 6.600 3.234 2.077 5.129 . 0 0 "[ . 1]" 1
802 1 107 GLU HA 1 110 VAL QG 4.700 . 7.600 2.706 2.472 4.174 . 0 0 "[ . 1]" 1
803 1 107 GLU HA 1 131 ARG HG2 3.600 . 5.500 5.582 5.383 5.675 0.175 6 0 "[ . 1]" 1
804 1 107 GLU HA 1 131 ARG HG3 3.600 . 5.500 5.146 4.762 5.451 . 0 0 "[ . 1]" 1
805 1 108 MET HA 1 116 THR HB 3.600 . 5.500 5.785 5.706 5.834 0.334 10 0 "[ . 1]" 1
806 1 108 MET HA 1 116 THR MG 4.200 . 6.600 6.528 6.294 6.640 0.040 4 0 "[ . 1]" 1
807 1 108 MET HB2 1 108 MET ME 4.200 . 6.600 3.802 2.080 4.254 . 0 0 "[ . 1]" 1
808 1 108 MET HB3 1 108 MET ME 4.200 . 6.600 3.871 2.336 4.253 . 0 0 "[ . 1]" 1
809 1 109 TYR HB2 1 119 ILE MD 4.200 . 6.600 4.591 4.244 5.093 . 0 0 "[ . 1]" 1
810 1 109 TYR HB3 1 119 ILE MD 4.200 . 6.600 4.255 3.890 4.801 . 0 0 "[ . 1]" 1
811 1 109 TYR QD 1 130 MET ME 5.200 . 8.600 4.429 3.747 5.248 . 0 0 "[ . 1]" 1
812 1 109 TYR QE 1 130 MET ME . . 3.800 2.815 2.380 3.676 . 0 0 "[ . 1]" 1
813 1 109 TYR QE 1 134 ILE MD 5.200 . 8.600 4.102 3.361 5.005 . 0 0 "[ . 1]" 1
814 1 110 VAL HA 1 116 THR MG 4.200 . 6.600 3.340 3.015 3.580 . 0 0 "[ . 1]" 1
815 1 110 VAL HA 1 128 ALA MB 4.200 . 6.600 5.506 4.659 6.068 . 0 0 "[ . 1]" 1
816 1 110 VAL HB 1 128 ALA MB 4.200 . 6.600 5.202 4.093 6.302 . 0 0 "[ . 1]" 1
817 1 110 VAL QG 1 111 SER HA 4.700 . 7.600 3.150 2.954 3.346 . 0 0 "[ . 1]" 1
818 1 110 VAL QG 1 116 THR MG 5.200 . 8.600 4.039 3.730 4.371 . 0 0 "[ . 1]" 1
819 1 110 VAL QG 1 128 ALA HA 3.300 . 4.800 3.223 2.077 4.321 . 0 0 "[ . 1]" 1
820 1 110 VAL QG 1 128 ALA MB 5.200 . 8.600 3.591 3.166 4.230 . 0 0 "[ . 1]" 1
821 1 110 VAL QG 1 131 ARG HG2 4.200 . 6.600 3.742 3.323 4.185 . 0 0 "[ . 1]" 1
822 1 110 VAL QG 1 131 ARG HG3 4.700 . 7.600 2.578 2.222 2.938 . 0 0 "[ . 1]" 1
823 1 110 VAL QG 1 131 ARG HD2 3.900 . 6.000 4.077 3.841 4.213 . 0 0 "[ . 1]" 1
824 1 110 VAL QG 1 131 ARG HD3 3.900 . 6.000 3.972 3.343 4.639 . 0 0 "[ . 1]" 1
825 1 116 THR MG 1 117 ARG HA 4.200 . 6.600 2.976 2.945 3.018 . 0 0 "[ . 1]" 1
826 1 117 ARG HA 1 117 ARG HB2 2.200 . 2.600 2.977 2.967 2.984 0.384 2 0 "[ . 1]" 1
827 1 117 ARG HA 1 117 ARG HG2 2.800 . 3.800 2.442 2.317 2.655 . 0 0 "[ . 1]" 1
828 1 117 ARG HA 1 117 ARG HG3 2.500 . 3.200 2.959 2.716 3.691 0.491 2 0 "[ . 1]" 1
829 1 117 ARG HA 1 117 ARG QD 4.100 . 6.400 3.666 2.286 4.101 . 0 0 "[ . 1]" 1
830 1 118 ASN HA 1 118 ASN HB3 2.200 . 2.600 2.552 2.420 2.984 0.384 4 0 "[ . 1]" 1
831 1 118 ASN HA 1 121 ALA MB 4.200 . 6.600 2.724 2.585 2.803 . 0 0 "[ . 1]" 1
832 1 119 ILE HB 1 127 ALA MB 3.000 . 4.200 3.165 2.695 3.440 . 0 0 "[ . 1]" 1
833 1 119 ILE MG 1 126 LEU HB2 3.500 . 5.200 4.857 4.756 4.952 . 0 0 "[ . 1]" 1
834 1 119 ILE MG 1 126 LEU HB3 4.100 . 6.400 5.193 4.872 5.376 . 0 0 "[ . 1]" 1
835 1 119 ILE MG 1 126 LEU HG 3.100 . 4.400 3.271 2.671 3.496 . 0 0 "[ . 1]" 1
836 1 119 ILE MG 1 126 LEU MD2 3.500 . 5.200 2.665 2.525 2.871 . 0 0 "[ . 1]" 1
837 1 119 ILE MG 1 126 LEU MD1 4.700 . 7.600 2.032 1.944 2.116 . 0 0 "[ . 1]" 1
838 1 119 ILE MG 1 127 ALA HA 4.200 . 6.600 3.228 2.578 3.484 . 0 0 "[ . 1]" 1
839 1 119 ILE MG 1 127 ALA MB 4.700 . 7.600 2.947 2.155 3.274 . 0 0 "[ . 1]" 1
840 1 119 ILE MD 1 126 LEU HG 4.200 . 6.600 5.831 5.512 5.981 . 0 0 "[ . 1]" 1
841 1 119 ILE MD 1 126 LEU MD1 4.700 . 7.600 4.084 3.930 4.231 . 0 0 "[ . 1]" 1
842 1 119 ILE MD 1 127 ALA HA 4.200 . 6.600 4.346 3.885 4.625 . 0 0 "[ . 1]" 1
843 1 119 ILE MD 1 127 ALA MB 3.800 . 5.800 3.541 2.903 3.781 . 0 0 "[ . 1]" 1
844 1 120 ASP HA 1 124 PRO HA 3.600 . 5.500 4.451 4.276 4.576 . 0 0 "[ . 1]" 1
845 1 120 ASP HA 1 126 LEU HB2 3.600 . 5.500 4.954 4.898 5.009 . 0 0 "[ . 1]" 1
846 1 120 ASP HA 1 126 LEU HB3 3.600 . 5.500 4.144 3.878 4.272 . 0 0 "[ . 1]" 1
847 1 120 ASP HA 1 126 LEU MD2 4.200 . 6.600 2.167 2.093 2.386 . 0 0 "[ . 1]" 1
848 1 120 ASP HB2 1 124 PRO HA 3.600 . 5.500 4.817 4.677 4.932 . 0 0 "[ . 1]" 1
849 1 120 ASP HB3 1 124 PRO HA 3.600 . 5.500 4.443 4.318 4.631 . 0 0 "[ . 1]" 1
850 1 123 LYS HA 1 123 LYS QD 3.300 . 4.800 3.078 2.735 3.913 . 0 0 "[ . 1]" 1
851 1 123 LYS HA 1 124 PRO HD3 2.200 . 2.600 2.321 2.295 2.344 . 0 0 "[ . 1]" 1
852 1 123 LYS HA 1 124 PRO HD2 2.200 . 2.600 2.399 2.352 2.465 . 0 0 "[ . 1]" 1
853 1 123 LYS QB 1 123 LYS HG3 2.300 . 2.800 2.195 2.156 2.420 . 0 0 "[ . 1]" 1
854 1 123 LYS QB 1 123 LYS HG2 2.400 . 3.000 2.519 2.311 2.576 . 0 0 "[ . 1]" 1
855 1 123 LYS QB 1 123 LYS QD 2.900 . 3.800 2.173 2.130 2.210 . 0 0 "[ . 1]" 1
856 1 123 LYS QB 1 123 LYS HE3 3.300 . 4.800 4.000 3.884 4.101 . 0 0 "[ . 1]" 1
857 1 123 LYS QB 1 123 LYS HE2 3.600 . 5.500 4.123 3.941 4.183 . 0 0 "[ . 1]" 1
858 1 123 LYS HE3 1 123 LYS HG3 2.300 . 2.800 2.508 2.316 2.683 . 0 0 "[ . 1]" 1
859 1 123 LYS HE2 1 123 LYS HG3 2.400 . 3.000 3.106 2.991 3.220 0.220 3 0 "[ . 1]" 1
860 1 123 LYS HE3 1 123 LYS HG2 2.400 . 3.000 2.996 2.868 3.095 0.095 5 0 "[ . 1]" 1
861 1 123 LYS HE2 1 123 LYS HG2 2.400 . 3.000 2.492 2.335 2.725 . 0 0 "[ . 1]" 1
862 1 123 LYS HG2 1 124 PRO HD2 3.100 . 4.400 3.539 2.509 3.738 . 0 0 "[ . 1]" 1
863 1 123 LYS QD 1 124 PRO HD2 4.100 . 6.400 2.785 2.303 4.477 . 0 0 "[ . 1]" 1
864 1 126 LEU HA 1 126 LEU MD2 4.100 . 6.400 4.147 4.139 4.162 . 0 0 "[ . 1]" 1
865 1 126 LEU HA 1 126 LEU MD1 4.200 . 6.600 3.324 3.154 3.394 . 0 0 "[ . 1]" 1
866 1 126 LEU HA 1 129 TYR HB3 2.400 . 3.000 2.551 2.348 2.754 . 0 0 "[ . 1]" 1
867 1 126 LEU HA 1 129 TYR HB2 3.600 . 5.500 3.715 3.567 3.940 . 0 0 "[ . 1]" 1
868 1 126 LEU HB2 1 126 LEU MD2 2.600 . 3.400 2.536 2.494 2.553 . 0 0 "[ . 1]" 1
869 1 126 LEU HB3 1 126 LEU HG 2.200 . 2.600 2.614 2.598 2.625 0.025 8 0 "[ . 1]" 1
870 1 126 LEU HB3 1 126 LEU MD2 2.600 . 3.400 2.267 2.235 2.289 . 0 0 "[ . 1]" 1
871 1 126 LEU MD1 1 129 TYR HA 4.200 . 6.600 6.516 6.423 6.594 . 0 0 "[ . 1]" 1
872 1 126 LEU MD1 1 129 TYR HB3 3.200 . 4.600 4.455 4.256 4.596 . 0 0 "[ . 1]" 1
873 1 126 LEU MD1 1 129 TYR QD 5.200 . 8.600 4.557 4.364 4.939 . 0 0 "[ . 1]" 1
874 1 127 ALA HA 1 130 MET HB2 3.600 . 5.500 2.694 2.600 2.798 . 0 0 "[ . 1]" 1
875 1 127 ALA HA 1 130 MET ME 4.200 . 6.600 5.009 4.662 5.257 . 0 0 "[ . 1]" 1
876 1 128 ALA MB 1 129 TYR HA 4.200 . 6.600 3.744 3.698 3.767 . 0 0 "[ . 1]" 1
877 1 129 TYR HA 1 129 TYR HB3 2.300 . 2.800 3.032 3.027 3.038 0.238 2 0 "[ . 1]" 1
878 1 129 TYR HA 1 132 ASP QB 3.600 . 5.500 2.638 2.521 2.744 . 0 0 "[ . 1]" 1
879 1 130 MET HA 1 130 MET HG2 2.700 . 3.600 2.626 2.474 2.737 . 0 0 "[ . 1]" 1
880 1 130 MET HA 1 130 MET ME 4.200 . 6.600 3.999 3.666 4.367 . 0 0 "[ . 1]" 1
881 1 130 MET HA 1 133 ALA MB 4.200 . 6.600 2.253 2.153 2.361 . 0 0 "[ . 1]" 1
882 1 130 MET HB2 1 130 MET ME 4.200 . 6.600 3.663 3.414 4.031 . 0 0 "[ . 1]" 1
883 1 130 MET HG3 1 133 ALA MB 4.200 . 6.600 4.548 4.011 5.007 . 0 0 "[ . 1]" 1
884 1 130 MET HG2 1 133 ALA MB 4.200 . 6.600 4.011 3.484 4.441 . 0 0 "[ . 1]" 1
885 1 130 MET ME 1 134 ILE MG 4.600 . 7.400 6.248 5.440 7.386 . 0 0 "[ . 1]" 1
886 1 130 MET ME 1 134 ILE MD 4.400 . 7.000 4.291 3.637 5.053 . 0 0 "[ . 1]" 1
887 1 131 ARG HA 1 131 ARG HD2 3.600 . 5.500 4.196 3.896 4.429 . 0 0 "[ . 1]" 1
888 1 131 ARG HA 1 131 ARG HD3 3.600 . 5.500 4.195 3.544 4.630 . 0 0 "[ . 1]" 1
889 1 131 ARG HA 1 134 ILE HB 2.800 . 3.800 3.011 2.813 3.161 . 0 0 "[ . 1]" 1
890 1 131 ARG HA 1 134 ILE MG 4.200 . 6.600 4.234 4.050 4.374 . 0 0 "[ . 1]" 1
891 1 131 ARG HA 1 134 ILE MD 3.500 . 5.200 3.141 2.241 4.532 . 0 0 "[ . 1]" 1
892 1 131 ARG HD2 1 132 ASP HA 3.600 . 5.500 4.155 2.904 5.078 . 0 0 "[ . 1]" 1
893 1 131 ARG HD3 1 132 ASP HA 3.600 . 5.500 4.074 2.829 4.927 . 0 0 "[ . 1]" 1
894 1 132 ASP HA 1 132 ASP QB 2.300 . 2.800 2.499 2.495 2.504 . 0 0 "[ . 1]" 1
895 1 134 ILE HA 1 134 ILE MD 3.400 . 5.000 3.121 2.060 3.811 . 0 0 "[ . 1]" 1
896 1 134 ILE HB 1 134 ILE HG13 2.100 . 2.400 2.475 2.337 2.503 0.103 1 0 "[ . 1]" 1
897 1 134 ILE MD 1 134 ILE MG 3.100 . 4.400 1.959 1.857 2.003 . 0 0 "[ . 1]" 1
898 1 134 ILE MG 1 135 LEU HA 4.200 . 6.600 3.242 3.142 3.327 . 0 0 "[ . 1]" 1
899 1 134 ILE MG 1 135 LEU MD1 4.700 . 7.600 3.067 2.224 4.430 . 0 0 "[ . 1]" 1
900 1 135 LEU HA 1 135 LEU HB3 2.300 . 2.800 2.660 2.596 2.998 0.198 7 0 "[ . 1]" 1
901 1 135 LEU HA 1 135 LEU MD1 4.200 . 6.600 2.484 2.176 3.784 . 0 0 "[ . 1]" 1
902 1 135 LEU HB2 1 135 LEU HG 2.400 . 3.000 2.803 2.393 3.032 0.032 3 0 "[ . 1]" 1
903 1 136 ALA HA 1 137 ASN HA 3.600 . 5.500 4.775 4.768 4.788 . 0 0 "[ . 1]" 1
904 1 136 ALA HA 1 139 VAL HB 2.200 . 2.600 2.500 2.389 2.553 . 0 0 "[ . 1]" 1
905 1 136 ALA HA 1 139 VAL MG1 3.900 . 6.000 3.753 3.650 3.814 . 0 0 "[ . 1]" 1
906 1 136 ALA HA 1 139 VAL MG2 3.000 . 4.200 3.227 3.136 3.280 . 0 0 "[ . 1]" 1
907 1 136 ALA MB 1 139 VAL HB 4.200 . 6.600 4.110 4.027 4.148 . 0 0 "[ . 1]" 1
908 1 136 ALA MB 1 139 VAL MG1 4.700 . 7.600 4.662 4.571 4.711 . 0 0 "[ . 1]" 1
909 1 136 ALA MB 1 139 VAL MG2 4.700 . 7.600 4.423 4.344 4.464 . 0 0 "[ . 1]" 1
910 1 137 ASN HA 1 140 ARG HG2 2.600 . 3.400 2.250 2.233 2.264 . 0 0 "[ . 1]" 1
911 1 137 ASN HA 1 140 ARG HG3 2.900 . 4.000 3.287 3.204 3.362 . 0 0 "[ . 1]" 1
912 1 137 ASN HA 1 140 ARG QD 4.100 . 6.400 3.522 3.419 3.608 . 0 0 "[ . 1]" 1
913 1 139 VAL HA 1 142 THR HB 3.600 . 5.500 3.752 2.302 4.663 . 0 0 "[ . 1]" 1
914 1 139 VAL HA 1 142 THR MG 4.200 . 6.600 4.546 3.756 4.918 . 0 0 "[ . 1]" 1
915 1 139 VAL MG1 1 142 THR HB 4.200 . 6.600 4.546 3.453 6.296 . 0 0 "[ . 1]" 1
916 1 139 VAL MG1 1 142 THR MG 4.700 . 7.600 4.872 4.187 5.647 . 0 0 "[ . 1]" 1
917 1 140 ARG HA 1 140 ARG HB2 2.400 . 3.000 2.502 2.486 2.522 . 0 0 "[ . 1]" 1
918 1 140 ARG HA 1 140 ARG QD 4.100 . 6.400 4.243 4.228 4.258 . 0 0 "[ . 1]" 1
919 1 140 ARG HB2 1 140 ARG HG3 2.100 . 2.400 2.596 2.571 2.615 0.215 8 0 "[ . 1]" 1
920 1 142 THR HA 1 143 PRO HD3 2.100 . 2.400 2.399 2.277 2.521 0.121 9 0 "[ . 1]" 1
921 1 142 THR HA 1 143 PRO HD2 2.100 . 2.400 2.367 2.302 2.488 0.088 4 0 "[ . 1]" 1
922 1 142 THR HB 1 143 PRO HD3 3.600 . 5.500 4.874 4.732 5.075 . 0 0 "[ . 1]" 1
923 1 142 THR HB 1 143 PRO HD2 3.600 . 5.500 4.684 3.942 5.104 . 0 0 "[ . 1]" 1
924 1 142 THR MG 1 143 PRO HD3 3.800 . 5.800 4.054 3.564 4.384 . 0 0 "[ . 1]" 1
925 1 142 THR MG 1 143 PRO HD2 3.100 . 4.400 3.141 2.304 3.874 . 0 0 "[ . 1]" 1
926 1 64 PHE HA 1 64 PHE QD 3.600 . 5.500 2.676 2.389 2.991 . 0 0 "[ . 1]" 1
927 1 64 PHE HB2 1 64 PHE QD 2.800 . 3.800 2.493 2.323 2.691 . 0 0 "[ . 1]" 1
928 1 64 PHE QD 1 65 VAL QG 4.500 . 7.200 4.763 4.721 4.810 . 0 0 "[ . 1]" 1
929 1 64 PHE HZ 1 133 ALA MB 4.200 . 6.600 3.585 3.123 4.007 . 0 0 "[ . 1]" 1
930 1 64 PHE HZ 1 83 ALA HA 2.100 . 2.400 2.329 2.282 2.416 0.016 5 0 "[ . 1]" 1
931 1 64 PHE HZ 1 83 ALA MB 2.900 . 4.000 3.082 2.828 3.310 . 0 0 "[ . 1]" 1
932 1 83 ALA MB 1 102 HIS HE1 2.800 . 3.800 3.261 2.767 3.882 0.082 7 0 "[ . 1]" 1
933 1 60 LEU QD 1 86 HIS HD2 2.800 . 3.800 2.753 2.278 3.124 . 0 0 "[ . 1]" 1
934 1 86 HIS HE1 1 90 ILE MD 3.600 . 5.500 3.210 2.615 3.679 . 0 0 "[ . 1]" 1
935 1 86 HIS HE1 1 105 LEU MD1 4.200 . 6.600 5.500 4.498 6.486 . 0 0 "[ . 1]" 1
936 1 86 HIS HA 1 102 HIS HE1 3.600 . 5.400 5.305 5.073 5.441 0.041 7 0 "[ . 1]" 1
937 1 102 HIS HE1 1 134 ILE MD 4.200 . 6.600 4.387 3.250 5.423 . 0 0 "[ . 1]" 1
938 1 99 TYR HA 1 99 TYR HD1 2.200 . 2.600 2.431 2.357 2.571 . 0 0 "[ . 1]" 1
939 1 99 TYR HB2 1 99 TYR HD1 2.600 . 3.400 3.753 3.738 3.760 0.360 1 0 "[ . 1]" 1
940 1 99 TYR HB3 1 99 TYR HD1 2.200 . 2.600 2.658 2.586 2.714 0.114 6 0 "[ . 1]" 1
941 1 99 TYR HD1 1 138 ALA HA 3.600 . 5.500 2.905 2.513 3.151 . 0 0 "[ . 1]" 1
942 1 99 TYR HD1 1 138 ALA MB 2.800 . 3.800 3.030 2.607 3.388 . 0 0 "[ . 1]" 1
943 1 99 TYR QE 1 141 HIS QB 2.800 . 3.400 2.927 2.701 3.128 . 0 0 "[ . 1]" 1
944 1 102 HIS HA 1 102 HIS HD2 2.100 . 2.400 2.463 2.331 2.555 0.155 3 0 "[ . 1]" 1
945 1 102 HIS HD2 1 105 LEU MD1 4.200 . 6.600 3.430 3.202 3.801 . 0 0 "[ . 1]" 1
946 1 86 HIS HE1 1 109 TYR QE 3.500 . 5.200 4.084 2.788 5.004 . 0 0 "[ . 1]" 1
947 1 90 ILE MD 1 102 HIS HE1 4.700 . 7.600 3.971 3.435 4.423 . 0 0 "[ . 1]" 1
948 1 90 ILE MD 1 102 HIS HD2 2.800 . 3.800 3.717 3.145 3.891 0.091 7 0 "[ . 1]" 1
949 1 109 TYR QE 1 119 ILE MD 4.200 . 6.600 2.682 2.330 3.341 . 0 0 "[ . 1]" 1
950 1 64 PHE QD 1 129 TYR QE 2.300 . 2.800 2.423 2.248 2.815 0.015 2 0 "[ . 1]" 1
951 1 64 PHE QE 1 129 TYR QE 4.200 . 6.600 3.601 3.080 4.221 . 0 0 "[ . 1]" 1
952 1 67 LEU MD1 1 129 TYR QE 4.200 . 6.600 2.995 2.363 3.473 . 0 0 "[ . 1]" 1
953 1 141 HIS QB 1 141 HIS HD2 2.500 . 3.200 2.937 2.748 3.018 . 0 0 "[ . 1]" 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 74
_Distance_constraint_stats_list.Viol_count 22
_Distance_constraint_stats_list.Viol_total 17.238
_Distance_constraint_stats_list.Viol_max 0.194
_Distance_constraint_stats_list.Viol_rms 0.0167
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0023
_Distance_constraint_stats_list.Viol_average_violations_only 0.0784
_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 54 GLN 0.000 0.000 . 0 "[ . 1]"
1 55 ASP 0.000 0.000 . 0 "[ . 1]"
1 56 GLU 0.942 0.194 1 0 "[ . 1]"
1 57 ALA 0.000 0.000 . 0 "[ . 1]"
1 58 ASP 0.000 0.000 . 0 "[ . 1]"
1 59 GLU 0.000 0.000 . 0 "[ . 1]"
1 60 LEU 0.942 0.194 1 0 "[ . 1]"
1 61 THR 0.000 0.000 . 0 "[ . 1]"
1 62 ARG 0.000 0.000 . 0 "[ . 1]"
1 63 ARG 0.000 0.000 . 0 "[ . 1]"
1 64 PHE 0.000 0.000 . 0 "[ . 1]"
1 65 VAL 0.000 0.000 . 0 "[ . 1]"
1 66 ALA 0.000 0.000 . 0 "[ . 1]"
1 67 LEU 0.000 0.000 . 0 "[ . 1]"
1 68 MET 0.000 0.000 . 0 "[ . 1]"
1 69 ASP 0.000 0.000 . 0 "[ . 1]"
1 70 ALA 0.000 0.000 . 0 "[ . 1]"
1 77 GLU 0.000 0.000 . 0 "[ . 1]"
1 78 GLY 0.000 0.000 . 0 "[ . 1]"
1 79 ALA 0.000 0.000 . 0 "[ . 1]"
1 80 MET 0.000 0.000 . 0 "[ . 1]"
1 81 ASP 0.000 0.000 . 0 "[ . 1]"
1 82 ALA 0.000 0.000 . 0 "[ . 1]"
1 83 ALA 0.000 0.000 . 0 "[ . 1]"
1 84 GLU 0.000 0.000 . 0 "[ . 1]"
1 85 ASP 0.000 0.000 . 0 "[ . 1]"
1 86 HIS 0.000 0.000 . 0 "[ . 1]"
1 87 ARG 0.000 0.000 . 0 "[ . 1]"
1 88 GLN 0.000 0.000 . 0 "[ . 1]"
1 89 GLY 0.000 0.000 . 0 "[ . 1]"
1 90 ILE 0.000 0.000 . 0 "[ . 1]"
1 91 ALA 0.000 0.000 . 0 "[ . 1]"
1 92 ARG 0.000 0.000 . 0 "[ . 1]"
1 126 LEU 0.000 0.000 . 0 "[ . 1]"
1 127 ALA 0.000 0.000 . 0 "[ . 1]"
1 128 ALA 0.000 0.000 . 0 "[ . 1]"
1 129 TYR 0.000 0.000 . 0 "[ . 1]"
1 130 MET 0.000 0.000 . 0 "[ . 1]"
1 131 ARG 0.000 0.000 . 0 "[ . 1]"
1 132 ASP 0.000 0.000 . 0 "[ . 1]"
1 133 ALA 0.000 0.000 . 0 "[ . 1]"
1 134 ILE 0.000 0.000 . 0 "[ . 1]"
1 135 LEU 0.000 0.000 . 0 "[ . 1]"
1 136 ALA 0.000 0.000 . 0 "[ . 1]"
1 137 ASN 0.782 0.192 1 0 "[ . 1]"
1 138 ALA 0.000 0.000 . 0 "[ . 1]"
1 139 VAL 0.000 0.000 . 0 "[ . 1]"
1 140 ARG 0.000 0.000 . 0 "[ . 1]"
1 141 HIS 0.782 0.192 1 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 54 GLN O 1 58 ASP H 2.000 . 2.500 2.027 1.759 2.245 . 0 0 "[ . 1]" 2
2 1 54 GLN O 1 58 ASP N 3.000 2.300 3.500 2.986 2.718 3.192 . 0 0 "[ . 1]" 2
3 1 55 ASP O 1 59 GLU H 2.000 . 2.500 2.093 1.953 2.312 . 0 0 "[ . 1]" 2
4 1 55 ASP O 1 59 GLU N 3.000 2.300 3.500 2.877 2.768 3.064 . 0 0 "[ . 1]" 2
5 1 56 GLU O 1 60 LEU H 2.000 . 2.500 2.588 2.513 2.694 0.194 1 0 "[ . 1]" 2
6 1 56 GLU O 1 60 LEU N 3.000 2.300 3.500 3.416 3.332 3.536 0.036 1 0 "[ . 1]" 2
7 1 57 ALA O 1 61 THR H 2.000 . 2.500 2.372 2.285 2.472 . 0 0 "[ . 1]" 2
8 1 57 ALA O 1 61 THR N 3.000 2.300 3.500 3.283 3.185 3.402 . 0 0 "[ . 1]" 2
9 1 58 ASP O 1 62 ARG H 2.000 . 2.500 2.357 2.255 2.461 . 0 0 "[ . 1]" 2
10 1 58 ASP O 1 62 ARG N 3.000 2.300 3.500 3.318 3.220 3.415 . 0 0 "[ . 1]" 2
11 1 59 GLU O 1 63 ARG H 2.000 . 2.500 2.122 1.980 2.263 . 0 0 "[ . 1]" 2
12 1 59 GLU O 1 63 ARG N 3.000 2.300 3.500 2.958 2.849 3.103 . 0 0 "[ . 1]" 2
13 1 60 LEU O 1 64 PHE H 2.000 . 2.500 1.580 1.474 1.726 . 0 0 "[ . 1]" 2
14 1 60 LEU O 1 64 PHE N 3.000 2.300 3.500 2.527 2.421 2.668 . 0 0 "[ . 1]" 2
15 1 61 THR O 1 65 VAL H 2.000 . 2.500 1.591 1.511 1.702 . 0 0 "[ . 1]" 2
16 1 61 THR O 1 65 VAL N 3.000 2.300 3.500 2.559 2.485 2.674 . 0 0 "[ . 1]" 2
17 1 62 ARG O 1 66 ALA H 2.000 . 2.500 1.823 1.772 1.892 . 0 0 "[ . 1]" 2
18 1 62 ARG O 1 66 ALA N 3.000 2.300 3.500 2.674 2.620 2.746 . 0 0 "[ . 1]" 2
19 1 63 ARG O 1 67 LEU H 2.000 . 2.500 2.399 2.350 2.453 . 0 0 "[ . 1]" 2
20 1 63 ARG O 1 67 LEU N 3.000 2.300 3.500 3.210 3.136 3.259 . 0 0 "[ . 1]" 2
21 1 64 PHE O 1 68 MET H 2.000 . 2.500 2.196 2.133 2.271 . 0 0 "[ . 1]" 2
22 1 64 PHE O 1 68 MET N 3.000 2.300 3.500 3.073 3.015 3.155 . 0 0 "[ . 1]" 2
23 1 65 VAL O 1 69 ASP H 2.000 . 2.500 1.941 1.897 1.964 . 0 0 "[ . 1]" 2
24 1 65 VAL O 1 69 ASP N 3.000 2.300 3.500 2.896 2.857 2.918 . 0 0 "[ . 1]" 2
25 1 66 ALA O 1 70 ALA H 2.000 . 2.500 2.355 2.211 2.418 . 0 0 "[ . 1]" 2
26 1 66 ALA O 1 70 ALA N 3.000 2.300 3.500 3.266 3.144 3.303 . 0 0 "[ . 1]" 2
27 1 77 GLU O 1 81 ASP H 2.000 . 2.500 1.539 1.529 1.550 . 0 0 "[ . 1]" 2
28 1 77 GLU O 1 81 ASP N 3.000 2.300 3.500 2.386 2.380 2.395 . 0 0 "[ . 1]" 2
29 1 78 GLY O 1 82 ALA H 2.000 . 2.500 2.023 1.998 2.061 . 0 0 "[ . 1]" 2
30 1 78 GLY O 1 82 ALA N 3.000 2.300 3.500 2.816 2.783 2.845 . 0 0 "[ . 1]" 2
31 1 79 ALA O 1 83 ALA H 2.000 . 2.500 1.811 1.734 1.913 . 0 0 "[ . 1]" 2
32 1 79 ALA O 1 83 ALA N 3.000 2.300 3.500 2.669 2.601 2.755 . 0 0 "[ . 1]" 2
33 1 80 MET O 1 84 GLU H 2.000 . 2.500 1.727 1.627 1.827 . 0 0 "[ . 1]" 2
34 1 80 MET O 1 84 GLU N 3.000 2.300 3.500 2.648 2.563 2.734 . 0 0 "[ . 1]" 2
35 1 81 ASP O 1 85 ASP H 2.000 . 2.500 1.767 1.698 1.880 . 0 0 "[ . 1]" 2
36 1 81 ASP O 1 85 ASP N 3.000 2.300 3.500 2.722 2.659 2.820 . 0 0 "[ . 1]" 2
37 1 82 ALA O 1 86 HIS H 2.000 . 2.500 1.482 1.448 1.571 . 0 0 "[ . 1]" 2
38 1 82 ALA O 1 86 HIS N 3.000 2.300 3.500 2.449 2.418 2.536 . 0 0 "[ . 1]" 2
39 1 83 ALA O 1 87 ARG H 2.000 . 2.500 1.846 1.736 1.915 . 0 0 "[ . 1]" 2
40 1 83 ALA O 1 87 ARG N 3.000 2.300 3.500 2.824 2.716 2.890 . 0 0 "[ . 1]" 2
41 1 84 GLU O 1 88 GLN H 2.000 . 2.500 1.956 1.838 2.056 . 0 0 "[ . 1]" 2
42 1 84 GLU O 1 88 GLN N 3.000 2.300 3.500 2.887 2.782 2.969 . 0 0 "[ . 1]" 2
43 1 85 ASP O 1 89 GLY H 2.000 . 2.500 1.958 1.838 2.041 . 0 0 "[ . 1]" 2
44 1 85 ASP O 1 89 GLY N 3.000 2.300 3.500 2.905 2.769 3.003 . 0 0 "[ . 1]" 2
45 1 86 HIS O 1 90 ILE H 2.000 . 2.500 2.164 1.943 2.324 . 0 0 "[ . 1]" 2
46 1 86 HIS O 1 90 ILE N 3.000 2.300 3.500 3.103 2.906 3.228 . 0 0 "[ . 1]" 2
47 1 87 ARG O 1 91 ALA H 2.000 . 2.500 1.994 1.837 2.114 . 0 0 "[ . 1]" 2
48 1 87 ARG O 1 91 ALA N 3.000 2.300 3.500 2.947 2.762 3.080 . 0 0 "[ . 1]" 2
49 1 88 GLN O 1 92 ARG H 2.000 . 2.500 2.032 1.899 2.236 . 0 0 "[ . 1]" 2
50 1 88 GLN O 1 92 ARG N 3.000 2.300 3.500 2.904 2.788 3.086 . 0 0 "[ . 1]" 2
51 1 126 LEU O 1 130 MET H 2.000 . 2.500 1.832 1.656 1.976 . 0 0 "[ . 1]" 2
52 1 126 LEU O 1 130 MET N 3.000 2.300 3.500 2.784 2.601 2.938 . 0 0 "[ . 1]" 2
53 1 127 ALA O 1 131 ARG H 2.000 . 2.500 1.949 1.828 2.140 . 0 0 "[ . 1]" 2
54 1 127 ALA O 1 131 ARG N 3.000 2.300 3.500 2.903 2.782 3.098 . 0 0 "[ . 1]" 2
55 1 128 ALA O 1 132 ASP H 2.000 . 2.500 2.249 2.104 2.490 . 0 0 "[ . 1]" 2
56 1 128 ALA O 1 132 ASP N 3.000 2.300 3.500 3.168 3.022 3.411 . 0 0 "[ . 1]" 2
57 1 129 TYR O 1 133 ALA H 2.000 . 2.500 2.076 1.908 2.229 . 0 0 "[ . 1]" 2
58 1 129 TYR O 1 133 ALA N 3.000 2.300 3.500 2.952 2.800 3.101 . 0 0 "[ . 1]" 2
59 1 130 MET O 1 134 ILE H 2.000 . 2.500 1.957 1.821 2.062 . 0 0 "[ . 1]" 2
60 1 130 MET O 1 134 ILE N 3.000 2.300 3.500 2.884 2.762 2.972 . 0 0 "[ . 1]" 2
61 1 131 ARG O 1 135 LEU H 2.000 . 2.500 2.415 2.283 2.499 . 0 0 "[ . 1]" 2
62 1 131 ARG O 1 135 LEU N 3.000 2.300 3.500 3.383 3.253 3.464 . 0 0 "[ . 1]" 2
63 1 132 ASP O 1 136 ALA H 2.000 . 2.500 2.314 2.246 2.421 . 0 0 "[ . 1]" 2
64 1 132 ASP O 1 136 ALA N 3.000 2.300 3.500 3.275 3.199 3.380 . 0 0 "[ . 1]" 2
65 1 133 ALA O 1 137 ASN H 2.000 . 2.500 2.278 2.146 2.375 . 0 0 "[ . 1]" 2
66 1 133 ALA O 1 137 ASN N 3.000 2.300 3.500 3.251 3.114 3.350 . 0 0 "[ . 1]" 2
67 1 134 ILE O 1 138 ALA H 2.000 . 2.500 1.966 1.859 2.047 . 0 0 "[ . 1]" 2
68 1 134 ILE O 1 138 ALA N 3.000 2.300 3.500 2.898 2.786 2.999 . 0 0 "[ . 1]" 2
69 1 135 LEU O 1 139 VAL H 2.000 . 2.500 1.564 1.453 1.679 . 0 0 "[ . 1]" 2
70 1 135 LEU O 1 139 VAL N 3.000 2.300 3.500 2.538 2.425 2.653 . 0 0 "[ . 1]" 2
71 1 136 ALA O 1 140 ARG H 2.000 . 2.500 2.029 2.005 2.066 . 0 0 "[ . 1]" 2
72 1 136 ALA O 1 140 ARG N 3.000 2.300 3.500 3.006 2.974 3.047 . 0 0 "[ . 1]" 2
73 1 137 ASN O 1 141 HIS H 2.000 . 2.500 2.577 2.490 2.692 0.192 1 0 "[ . 1]" 2
74 1 137 ASN O 1 141 HIS N 3.000 2.300 3.500 3.299 3.218 3.390 . 0 0 "[ . 1]" 2
stop_
save_
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