NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
594126 |
2n35   |
25634 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n35
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 479
_Distance_constraint_stats_list.Viol_count 828
_Distance_constraint_stats_list.Viol_total 4327.580
_Distance_constraint_stats_list.Viol_max 1.987
_Distance_constraint_stats_list.Viol_rms 0.1280
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0226
_Distance_constraint_stats_list.Viol_average_violations_only 0.2613
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 THR 1.022 0.576 14 1 "[ . 1 +. 2]"
1 3 ILE 0.167 0.090 14 0 "[ . 1 . 2]"
1 4 ASP 10.869 0.576 14 19 "[************ +**-***]"
1 5 GLU 12.678 0.543 7 18 "[******+***** **-***]"
1 6 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LEU 33.934 1.473 7 18 "[******+***-* ******]"
1 8 LEU 22.500 1.090 16 18 "[****-******* *+****]"
1 9 LYS 3.954 0.200 19 0 "[ . 1 . 2]"
1 10 GLU 9.789 0.408 7 0 "[ . 1 . 2]"
1 11 ALA 8.602 0.485 10 0 "[ . 1 . 2]"
1 12 LYS 16.346 0.961 7 3 "[ - + 1* . 2]"
1 13 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LYS 4.302 0.287 8 0 "[ . 1 . 2]"
1 15 ALA 5.084 0.378 14 0 "[ . 1 . 2]"
1 16 ILE 4.698 0.378 14 0 "[ . 1 . 2]"
1 17 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLU 2.156 0.154 13 0 "[ . 1 . 2]"
1 19 LEU 3.188 0.154 13 0 "[ . 1 . 2]"
1 20 LYS 55.793 1.987 3 20 [**+************-****]
1 21 LYS 13.174 0.570 7 20 [******+*****-*******]
1 22 ALA 1.874 0.124 14 0 "[ . 1 . 2]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 THR 0.197 0.029 9 0 "[ . 1 . 2]"
1 26 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 TYR 0.120 0.031 14 0 "[ . 1 . 2]"
1 29 TYR 1.454 0.080 3 0 "[ . 1 . 2]"
1 30 PHE 1.054 0.113 3 0 "[ . 1 . 2]"
1 31 ASP 1.100 0.353 17 0 "[ . 1 . 2]"
1 32 LEU 4.555 0.473 13 0 "[ . 1 . 2]"
1 33 ILE 0.454 0.026 9 0 "[ . 1 . 2]"
1 34 ASN 0.073 0.023 7 0 "[ . 1 . 2]"
1 35 LYS 6.007 0.473 13 0 "[ . 1 . 2]"
1 36 ALA 0.768 0.087 14 0 "[ . 1 . 2]"
1 37 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 THR 1.497 0.090 5 0 "[ . 1 . 2]"
1 39 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLU 2.041 0.111 3 0 "[ . 1 . 2]"
1 41 GLY 5.610 0.122 13 0 "[ . 1 . 2]"
1 42 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ASN 0.112 0.016 14 0 "[ . 1 . 2]"
1 44 ALA 2.184 0.122 13 0 "[ . 1 . 2]"
1 45 LEU 16.789 0.484 7 0 "[ . 1 . 2]"
1 46 LYS 41.557 1.061 13 20 [************+-******]
1 47 ASP 0.048 0.025 20 0 "[ . 1 . 2]"
1 48 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 LEU 9.966 1.061 13 3 "[ . - 1 +*. 2]"
1 51 LYS 3.971 0.399 20 0 "[ . 1 . 2]"
1 52 ALA 3.971 0.399 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 THR HB 1 3 ILE H . . 4.360 2.420 2.201 4.450 0.090 14 0 "[ . 1 . 2]" 1
2 1 2 THR HB 1 4 ASP H . . 3.550 3.038 2.918 4.126 0.576 14 1 "[ . 1 +. 2]" 1
3 1 2 THR HB 1 5 GLU H . . 5.500 3.734 3.283 5.836 0.336 13 0 "[ . 1 . 2]" 1
4 1 3 ILE H 1 3 ILE HB . . 3.730 2.490 2.419 3.640 . 0 0 "[ . 1 . 2]" 1
5 1 3 ILE H 1 3 ILE HG12 . . 3.670 3.556 2.077 3.747 0.077 13 0 "[ . 1 . 2]" 1
6 1 3 ILE H 1 3 ILE QG . . 2.850 2.232 2.050 2.431 . 0 0 "[ . 1 . 2]" 1
7 1 3 ILE H 1 3 ILE HG13 . . 3.670 2.307 2.217 3.152 . 0 0 "[ . 1 . 2]" 1
8 1 3 ILE H 1 4 ASP H . . 3.860 2.745 2.630 3.827 . 0 0 "[ . 1 . 2]" 1
9 1 3 ILE HB 1 4 ASP H . . 4.550 2.837 2.657 4.507 . 0 0 "[ . 1 . 2]" 1
10 1 4 ASP H 1 4 ASP HB2 . . 4.040 2.490 2.473 2.495 . 0 0 "[ . 1 . 2]" 1
11 1 4 ASP H 1 4 ASP QB . . 3.320 2.445 2.430 2.449 . 0 0 "[ . 1 . 2]" 1
12 1 4 ASP H 1 4 ASP HB3 . . 4.040 3.565 3.564 3.575 . 0 0 "[ . 1 . 2]" 1
13 1 4 ASP H 1 5 GLU H . . 2.810 2.629 2.487 2.650 . 0 0 "[ . 1 . 2]" 1
14 1 4 ASP HA 1 5 GLU H . . 3.020 3.534 3.348 3.563 0.543 7 18 "[******+***** **-***]" 1
15 1 4 ASP HB2 1 5 GLU H . . 5.350 2.799 2.619 3.489 . 0 0 "[ . 1 . 2]" 1
16 1 4 ASP HB3 1 5 GLU H . . 5.350 3.563 3.417 4.044 . 0 0 "[ . 1 . 2]" 1
17 1 5 GLU H 1 5 GLU HG2 . . 3.640 3.680 2.465 3.768 0.128 1 0 "[ . 1 . 2]" 1
18 1 5 GLU H 1 5 GLU QG . . 2.870 2.374 2.352 2.446 . 0 0 "[ . 1 . 2]" 1
19 1 5 GLU H 1 5 GLU HG3 . . 3.640 2.464 2.377 3.728 0.088 7 0 "[ . 1 . 2]" 1
20 1 5 GLU H 1 6 TRP H . . 3.000 2.526 2.267 2.564 . 0 0 "[ . 1 . 2]" 1
21 1 5 GLU HB2 1 6 TRP H . . 5.500 2.857 2.826 2.974 . 0 0 "[ . 1 . 2]" 1
22 1 5 GLU HB3 1 6 TRP H . . 5.500 3.747 3.720 3.928 . 0 0 "[ . 1 . 2]" 1
23 1 6 TRP H 1 6 TRP HD1 . . 5.500 3.531 3.257 4.908 . 0 0 "[ . 1 . 2]" 1
24 1 6 TRP H 1 7 LEU H . . 2.800 2.639 2.610 2.721 . 0 0 "[ . 1 . 2]" 1
25 1 6 TRP H 1 8 LEU H . . 5.500 4.043 3.822 4.137 . 0 0 "[ . 1 . 2]" 1
26 1 6 TRP QB 1 7 LEU H . . 4.340 2.515 2.051 2.588 . 0 0 "[ . 1 . 2]" 1
27 1 6 TRP HB2 1 7 LEU H . . 5.030 2.793 2.606 3.859 . 0 0 "[ . 1 . 2]" 1
28 1 6 TRP HB3 1 7 LEU H . . 5.030 3.352 2.063 3.561 . 0 0 "[ . 1 . 2]" 1
29 1 7 LEU H 1 7 LEU HB3 . . 3.170 3.439 2.136 3.614 0.444 8 0 "[ . 1 . 2]" 1
30 1 7 LEU H 1 7 LEU QD . . 4.500 3.066 2.869 3.720 . 0 0 "[ . 1 . 2]" 1
31 1 7 LEU H 1 7 LEU HG . . 2.400 2.263 2.149 3.873 1.473 7 1 "[ . + 1 . 2]" 1
32 1 7 LEU H 1 8 LEU H . . 2.970 2.696 2.584 2.743 . 0 0 "[ . 1 . 2]" 1
33 1 7 LEU H 1 8 LEU QB . . 5.500 4.382 4.293 4.417 . 0 0 "[ . 1 . 2]" 1
34 1 7 LEU HB2 1 7 LEU QD . . 2.690 2.239 2.100 2.267 . 0 0 "[ . 1 . 2]" 1
35 1 7 LEU HB2 1 8 LEU H . . 4.000 2.571 2.309 3.885 . 0 0 "[ . 1 . 2]" 1
36 1 7 LEU HB2 1 10 GLU H . . 4.960 5.215 4.985 5.368 0.408 7 0 "[ . 1 . 2]" 1
37 1 7 LEU HB2 1 11 ALA H . . 5.500 5.405 4.766 5.546 0.046 7 0 "[ . 1 . 2]" 1
38 1 7 LEU HB3 1 8 LEU H . . 5.060 3.541 2.815 4.020 . 0 0 "[ . 1 . 2]" 1
39 1 7 LEU QD 1 8 LEU H . . 2.870 3.762 2.564 3.960 1.090 16 17 "[****** ***-* *+****]" 1
40 1 7 LEU QD 1 8 LEU QB . . 4.730 4.544 2.786 4.853 0.123 5 0 "[ . 1 . 2]" 1
41 1 8 LEU H 1 8 LEU QB . . 2.940 2.175 2.115 2.191 . 0 0 "[ . 1 . 2]" 1
42 1 8 LEU H 1 8 LEU MD1 . . 5.500 4.211 4.182 4.338 . 0 0 "[ . 1 . 2]" 1
43 1 8 LEU H 1 10 GLU H . . 5.500 4.071 4.023 4.110 . 0 0 "[ . 1 . 2]" 1
44 1 8 LEU H 1 11 ALA H . . 5.500 4.470 4.424 4.572 . 0 0 "[ . 1 . 2]" 1
45 1 8 LEU HA 1 8 LEU QB . . 2.770 2.178 2.150 2.348 . 0 0 "[ . 1 . 2]" 1
46 1 8 LEU HA 1 11 ALA H . . 3.610 2.932 2.875 3.147 . 0 0 "[ . 1 . 2]" 1
47 1 8 LEU QB 1 8 LEU MD2 . . 2.990 2.195 2.120 2.618 . 0 0 "[ . 1 . 2]" 1
48 1 8 LEU QB 1 9 LYS H . . 3.140 2.703 2.500 2.760 . 0 0 "[ . 1 . 2]" 1
49 1 8 LEU QB 1 12 LYS QE . . 4.020 3.794 3.668 3.820 . 0 0 "[ . 1 . 2]" 1
50 1 8 LEU QB 1 12 LYS HG3 . . 5.500 4.696 4.617 4.794 . 0 0 "[ . 1 . 2]" 1
51 1 8 LEU MD1 1 12 LYS QE . . 3.550 2.053 1.858 2.214 . 0 0 "[ . 1 . 2]" 1
52 1 8 LEU MD1 1 38 THR H . . 5.200 4.342 3.622 4.578 . 0 0 "[ . 1 . 2]" 1
53 1 8 LEU MD1 1 39 VAL H . . 5.500 3.501 3.332 4.195 . 0 0 "[ . 1 . 2]" 1
54 1 8 LEU HG 1 12 LYS QE . . 2.890 2.077 1.762 3.851 0.961 7 3 "[ - + 1* . 2]" 1
55 1 9 LYS H 1 9 LYS HB2 . . 3.180 2.444 2.326 2.481 . 0 0 "[ . 1 . 2]" 1
56 1 9 LYS H 1 9 LYS QB . . 2.720 2.221 2.192 2.225 . 0 0 "[ . 1 . 2]" 1
57 1 9 LYS H 1 9 LYS HB3 . . 3.180 2.554 2.515 2.681 . 0 0 "[ . 1 . 2]" 1
58 1 9 LYS H 1 10 GLU H . . 2.790 2.775 2.703 2.795 0.005 4 0 "[ . 1 . 2]" 1
59 1 9 LYS HA 1 9 LYS QB . . 2.550 2.361 2.346 2.408 . 0 0 "[ . 1 . 2]" 1
60 1 9 LYS HA 1 11 ALA H . . 4.350 4.365 4.348 4.432 0.082 7 0 "[ . 1 . 2]" 1
61 1 9 LYS HA 1 12 LYS H . . 3.850 3.500 3.400 3.600 . 0 0 "[ . 1 . 2]" 1
62 1 9 LYS HA 1 12 LYS HB2 . . 3.640 3.013 2.801 3.170 . 0 0 "[ . 1 . 2]" 1
63 1 9 LYS QB 1 9 LYS QE . . 1.560 1.742 1.685 1.760 0.200 19 0 "[ . 1 . 2]" 1
64 1 9 LYS QB 1 10 GLU H . . 3.020 2.563 2.538 2.611 . 0 0 "[ . 1 . 2]" 1
65 1 10 GLU H 1 10 GLU HG2 . . 5.290 3.734 2.720 4.546 . 0 0 "[ . 1 . 2]" 1
66 1 10 GLU H 1 10 GLU QG . . 4.490 2.496 2.345 3.991 . 0 0 "[ . 1 . 2]" 1
67 1 10 GLU H 1 10 GLU HG3 . . 5.290 2.603 2.371 4.420 . 0 0 "[ . 1 . 2]" 1
68 1 10 GLU H 1 11 ALA H . . 3.490 2.498 2.476 2.564 . 0 0 "[ . 1 . 2]" 1
69 1 10 GLU H 1 11 ALA MB . . 5.500 4.193 4.171 4.262 . 0 0 "[ . 1 . 2]" 1
70 1 10 GLU H 1 12 LYS QD . . 4.930 5.164 5.025 5.275 0.345 16 0 "[ . 1 . 2]" 1
71 1 11 ALA H 1 11 ALA MB . . 3.630 2.241 2.240 2.243 . 0 0 "[ . 1 . 2]" 1
72 1 11 ALA H 1 12 LYS H . . 3.380 2.664 2.620 2.679 . 0 0 "[ . 1 . 2]" 1
73 1 11 ALA H 1 12 LYS QD . . 4.730 5.142 5.099 5.215 0.485 10 0 "[ . 1 . 2]" 1
74 1 11 ALA HA 1 14 LYS H . . 4.010 3.548 3.312 3.669 . 0 0 "[ . 1 . 2]" 1
75 1 11 ALA MB 1 12 LYS H . . 3.470 2.590 2.563 2.650 . 0 0 "[ . 1 . 2]" 1
76 1 12 LYS H 1 12 LYS HB2 . . 3.150 2.406 2.373 2.421 . 0 0 "[ . 1 . 2]" 1
77 1 12 LYS H 1 12 LYS HB3 . . 3.790 3.597 3.592 3.600 . 0 0 "[ . 1 . 2]" 1
78 1 12 LYS H 1 12 LYS HG3 . . 2.700 2.367 2.314 2.437 . 0 0 "[ . 1 . 2]" 1
79 1 12 LYS H 1 13 GLU H . . 3.850 2.688 2.644 2.781 . 0 0 "[ . 1 . 2]" 1
80 1 12 LYS H 1 14 LYS H . . 4.100 4.113 4.089 4.146 0.046 7 0 "[ . 1 . 2]" 1
81 1 12 LYS HA 1 15 ALA H . . 3.950 3.894 3.504 4.007 0.057 19 0 "[ . 1 . 2]" 1
82 1 12 LYS HB2 1 13 GLU H . . 3.340 2.531 2.481 2.604 . 0 0 "[ . 1 . 2]" 1
83 1 12 LYS HB2 1 33 ILE MD . . 5.500 3.545 3.466 3.580 . 0 0 "[ . 1 . 2]" 1
84 1 12 LYS HB3 1 12 LYS QE . . 4.420 3.991 3.972 4.012 . 0 0 "[ . 1 . 2]" 1
85 1 12 LYS HB3 1 12 LYS HG2 . . 2.420 2.348 2.339 2.360 . 0 0 "[ . 1 . 2]" 1
86 1 12 LYS HB3 1 13 GLU H . . 3.590 3.504 3.423 3.548 . 0 0 "[ . 1 . 2]" 1
87 1 12 LYS HB3 1 33 ILE MD . . 4.340 1.985 1.920 2.049 . 0 0 "[ . 1 . 2]" 1
88 1 12 LYS QD 1 34 ASN HA . . 2.900 2.894 2.880 2.923 0.023 7 0 "[ . 1 . 2]" 1
89 1 12 LYS QE 1 12 LYS HG2 . . 2.990 2.337 2.308 2.380 . 0 0 "[ . 1 . 2]" 1
90 1 12 LYS QE 1 12 LYS HG3 . . 3.560 2.467 2.427 2.492 . 0 0 "[ . 1 . 2]" 1
91 1 12 LYS QE 1 34 ASN H . . 5.300 4.824 4.627 4.934 . 0 0 "[ . 1 . 2]" 1
92 1 12 LYS QE 1 34 ASN HA . . 3.600 2.677 2.354 2.867 . 0 0 "[ . 1 . 2]" 1
93 1 12 LYS QE 1 36 ALA H . . 4.300 3.922 3.889 4.031 . 0 0 "[ . 1 . 2]" 1
94 1 12 LYS QE 1 42 VAL MG2 . . 4.180 2.748 2.605 2.864 . 0 0 "[ . 1 . 2]" 1
95 1 12 LYS HG2 1 13 GLU H . . 5.500 5.092 5.058 5.133 . 0 0 "[ . 1 . 2]" 1
96 1 13 GLU H 1 13 GLU QB . . 3.680 2.326 2.233 2.337 . 0 0 "[ . 1 . 2]" 1
97 1 13 GLU H 1 14 LYS H . . 3.400 2.593 2.569 2.660 . 0 0 "[ . 1 . 2]" 1
98 1 13 GLU H 1 15 ALA H . . 4.400 4.145 4.005 4.201 . 0 0 "[ . 1 . 2]" 1
99 1 13 GLU QB 1 14 LYS H . . 3.190 2.568 2.501 2.637 . 0 0 "[ . 1 . 2]" 1
100 1 14 LYS H 1 14 LYS QG . . 3.080 2.540 2.514 2.590 . 0 0 "[ . 1 . 2]" 1
101 1 14 LYS H 1 15 ALA H . . 3.010 2.564 2.442 2.601 . 0 0 "[ . 1 . 2]" 1
102 1 14 LYS H 1 16 ILE H . . 4.770 4.389 4.283 4.437 . 0 0 "[ . 1 . 2]" 1
103 1 14 LYS HA 1 14 LYS QE . . 4.260 3.822 2.984 3.966 . 0 0 "[ . 1 . 2]" 1
104 1 14 LYS QB 1 14 LYS QE . . 1.560 1.762 1.659 1.847 0.287 8 0 "[ . 1 . 2]" 1
105 1 14 LYS HG2 1 15 ALA H . . 5.500 5.082 4.574 5.153 . 0 0 "[ . 1 . 2]" 1
106 1 14 LYS HG3 1 15 ALA H . . 5.500 4.667 4.600 5.169 . 0 0 "[ . 1 . 2]" 1
107 1 15 ALA H 1 16 ILE H . . 2.550 2.618 2.590 2.658 0.108 14 0 "[ . 1 . 2]" 1
108 1 15 ALA H 1 16 ILE HB . . 5.500 4.961 4.929 4.982 . 0 0 "[ . 1 . 2]" 1
109 1 15 ALA H 1 16 ILE MD . . 4.290 4.457 4.366 4.668 0.378 14 0 "[ . 1 . 2]" 1
110 1 15 ALA MB 1 16 ILE H . . 3.060 2.576 2.486 2.641 . 0 0 "[ . 1 . 2]" 1
111 1 16 ILE H 1 16 ILE HB . . 2.840 2.549 2.518 2.558 . 0 0 "[ . 1 . 2]" 1
112 1 16 ILE H 1 16 ILE MD . . 2.830 2.796 2.784 2.832 0.002 13 0 "[ . 1 . 2]" 1
113 1 16 ILE H 1 16 ILE QG . . 2.860 2.213 2.187 2.297 . 0 0 "[ . 1 . 2]" 1
114 1 16 ILE H 1 17 GLU H . . 2.800 2.470 2.444 2.513 . 0 0 "[ . 1 . 2]" 1
115 1 16 ILE H 1 19 LEU H . . 5.500 5.066 4.761 5.293 . 0 0 "[ . 1 . 2]" 1
116 1 16 ILE HA 1 19 LEU H . . 5.500 2.839 2.763 3.058 . 0 0 "[ . 1 . 2]" 1
117 1 16 ILE HA 1 19 LEU HB2 . . 3.570 2.397 2.004 2.672 . 0 0 "[ . 1 . 2]" 1
118 1 16 ILE HA 1 19 LEU HB3 . . 4.800 3.980 3.426 4.223 . 0 0 "[ . 1 . 2]" 1
119 1 16 ILE HA 1 20 LYS H . . 5.480 4.223 3.926 4.365 . 0 0 "[ . 1 . 2]" 1
120 1 16 ILE HB 1 17 GLU H . . 3.390 2.998 2.814 3.061 . 0 0 "[ . 1 . 2]" 1
121 1 16 ILE HB 1 19 LEU H . . 5.500 5.122 5.065 5.275 . 0 0 "[ . 1 . 2]" 1
122 1 16 ILE MG 1 17 GLU H . . 5.460 3.789 3.637 3.835 . 0 0 "[ . 1 . 2]" 1
123 1 16 ILE MG 1 20 LYS H . . 5.500 3.168 3.052 3.361 . 0 0 "[ . 1 . 2]" 1
124 1 17 GLU H 1 17 GLU QG . . 4.520 3.158 2.209 3.977 . 0 0 "[ . 1 . 2]" 1
125 1 17 GLU H 1 18 GLU H . . 2.870 2.840 2.789 2.863 . 0 0 "[ . 1 . 2]" 1
126 1 17 GLU H 1 18 GLU QG . . 5.340 4.570 4.492 4.643 . 0 0 "[ . 1 . 2]" 1
127 1 17 GLU H 1 19 LEU H . . 4.560 4.197 4.030 4.283 . 0 0 "[ . 1 . 2]" 1
128 1 17 GLU HA 1 20 LYS H . . 4.080 3.281 3.228 3.466 . 0 0 "[ . 1 . 2]" 1
129 1 17 GLU QG 1 18 GLU H . . 5.340 4.015 3.651 4.276 . 0 0 "[ . 1 . 2]" 1
130 1 18 GLU H 1 18 GLU QG . . 3.450 2.287 2.219 2.414 . 0 0 "[ . 1 . 2]" 1
131 1 18 GLU H 1 19 LEU H . . 3.760 2.641 2.590 2.671 . 0 0 "[ . 1 . 2]" 1
132 1 18 GLU H 1 20 LYS H . . 4.370 4.094 4.041 4.170 . 0 0 "[ . 1 . 2]" 1
133 1 18 GLU HA 1 18 GLU QG . . 3.630 2.637 2.462 3.042 . 0 0 "[ . 1 . 2]" 1
134 1 18 GLU HA 1 21 LYS H . . 3.610 3.270 3.161 3.380 . 0 0 "[ . 1 . 2]" 1
135 1 18 GLU HA 1 21 LYS HB2 . . 2.640 2.601 2.525 2.661 0.021 7 0 "[ . 1 . 2]" 1
136 1 18 GLU QG 1 19 LEU H . . 4.010 4.117 4.094 4.164 0.154 13 0 "[ . 1 . 2]" 1
137 1 19 LEU H 1 19 LEU HB2 . . 3.100 1.965 1.946 1.996 . 0 0 "[ . 1 . 2]" 1
138 1 19 LEU H 1 19 LEU HB3 . . 3.600 3.448 3.426 3.479 . 0 0 "[ . 1 . 2]" 1
139 1 19 LEU H 1 19 LEU MD1 . . 5.500 2.417 2.307 2.484 . 0 0 "[ . 1 . 2]" 1
140 1 19 LEU H 1 19 LEU HG . . 5.500 4.250 4.185 4.304 . 0 0 "[ . 1 . 2]" 1
141 1 19 LEU H 1 20 LYS H . . 3.600 2.649 2.632 2.671 . 0 0 "[ . 1 . 2]" 1
142 1 19 LEU H 1 20 LYS QB . . 5.340 4.618 4.586 4.638 . 0 0 "[ . 1 . 2]" 1
143 1 19 LEU H 1 20 LYS QG . . 5.340 4.270 4.252 4.319 . 0 0 "[ . 1 . 2]" 1
144 1 19 LEU H 1 21 LYS H . . 5.500 4.088 4.048 4.118 . 0 0 "[ . 1 . 2]" 1
145 1 19 LEU H 1 24 ILE HB . . 5.500 5.182 5.013 5.329 . 0 0 "[ . 1 . 2]" 1
146 1 19 LEU HA 1 22 ALA H . . 3.990 3.002 2.964 3.096 . 0 0 "[ . 1 . 2]" 1
147 1 19 LEU HA 1 24 ILE HB . . 4.250 3.365 3.168 3.600 . 0 0 "[ . 1 . 2]" 1
148 1 19 LEU HB2 1 19 LEU MD1 . . 3.410 2.484 2.427 2.563 . 0 0 "[ . 1 . 2]" 1
149 1 19 LEU HB2 1 20 LYS H . . 3.530 2.804 2.767 2.840 . 0 0 "[ . 1 . 2]" 1
150 1 19 LEU HB2 1 24 ILE HB . . 4.220 3.818 3.709 3.911 . 0 0 "[ . 1 . 2]" 1
151 1 19 LEU HB2 1 30 PHE HZ . . 3.860 3.913 3.858 3.973 0.113 3 0 "[ . 1 . 2]" 1
152 1 19 LEU HB3 1 19 LEU MD2 . . 2.920 2.467 2.411 2.546 . 0 0 "[ . 1 . 2]" 1
153 1 19 LEU HB3 1 20 LYS H . . 3.870 3.239 3.151 3.352 . 0 0 "[ . 1 . 2]" 1
154 1 19 LEU HB3 1 22 ALA H . . 5.500 4.861 4.832 4.900 . 0 0 "[ . 1 . 2]" 1
155 1 19 LEU HB3 1 24 ILE H . . 5.500 4.046 3.993 4.107 . 0 0 "[ . 1 . 2]" 1
156 1 19 LEU HB3 1 24 ILE HB . . 3.240 2.101 2.028 2.176 . 0 0 "[ . 1 . 2]" 1
157 1 19 LEU HB3 1 24 ILE HG12 . . 4.890 3.913 3.712 4.173 . 0 0 "[ . 1 . 2]" 1
158 1 19 LEU HB3 1 24 ILE HG13 . . 5.120 3.422 3.145 3.877 . 0 0 "[ . 1 . 2]" 1
159 1 19 LEU HB3 1 30 PHE HZ . . 3.720 2.551 2.420 2.721 . 0 0 "[ . 1 . 2]" 1
160 1 19 LEU MD2 1 30 PHE H . . 5.500 5.111 5.068 5.149 . 0 0 "[ . 1 . 2]" 1
161 1 19 LEU MD2 1 30 PHE HD1 . . 3.820 3.201 2.999 3.408 . 0 0 "[ . 1 . 2]" 1
162 1 19 LEU MD2 1 30 PHE HE1 . . 4.580 1.843 1.808 1.901 . 0 0 "[ . 1 . 2]" 1
163 1 19 LEU MD2 1 30 PHE HZ . . 4.810 3.473 3.278 3.646 . 0 0 "[ . 1 . 2]" 1
164 1 19 LEU MD2 1 49 ILE H . . 5.500 4.315 4.213 4.503 . 0 0 "[ . 1 . 2]" 1
165 1 20 LYS H 1 20 LYS QB . . 2.970 2.431 2.402 2.441 . 0 0 "[ . 1 . 2]" 1
166 1 20 LYS H 1 20 LYS HG2 . . 3.140 3.365 3.266 3.424 0.284 7 0 "[ . 1 . 2]" 1
167 1 20 LYS H 1 20 LYS QG . . 2.550 2.219 2.195 2.277 . 0 0 "[ . 1 . 2]" 1
168 1 20 LYS H 1 20 LYS HG3 . . 3.140 2.251 2.225 2.311 . 0 0 "[ . 1 . 2]" 1
169 1 20 LYS H 1 21 LYS H . . 3.850 2.704 2.676 2.726 . 0 0 "[ . 1 . 2]" 1
170 1 20 LYS H 1 22 ALA H . . 5.500 3.804 3.773 3.914 . 0 0 "[ . 1 . 2]" 1
171 1 20 LYS H 1 30 PHE HZ . . 5.140 4.526 4.375 4.767 . 0 0 "[ . 1 . 2]" 1
172 1 20 LYS HA 1 23 GLY H . . 3.570 3.455 3.338 3.547 . 0 0 "[ . 1 . 2]" 1
173 1 20 LYS QB 1 20 LYS QE . . 1.560 3.473 2.107 3.547 1.987 3 20 [**+************-****] 1
174 1 20 LYS QE 1 20 LYS QG . . 1.560 2.143 2.131 2.277 0.717 16 20 [***************+-***] 1
175 1 20 LYS HE2 1 20 LYS HG2 . . 3.080 2.639 2.541 3.667 0.587 16 1 "[ . 1 .+ 2]" 1
176 1 20 LYS HE2 1 20 LYS HG3 . . 3.080 3.038 2.438 3.086 0.006 6 0 "[ . 1 . 2]" 1
177 1 20 LYS HE3 1 20 LYS HG2 . . 3.080 3.115 3.066 3.746 0.666 16 1 "[ . 1 .+ 2]" 1
178 1 20 LYS HE3 1 20 LYS HG3 . . 3.080 2.459 2.399 2.911 . 0 0 "[ . 1 . 2]" 1
179 1 20 LYS QG 1 21 LYS H . . 5.340 4.073 4.058 4.102 . 0 0 "[ . 1 . 2]" 1
180 1 21 LYS H 1 21 LYS HB2 . . 2.730 2.360 2.340 2.384 . 0 0 "[ . 1 . 2]" 1
181 1 21 LYS H 1 21 LYS HG2 . . 5.500 3.697 3.658 3.714 . 0 0 "[ . 1 . 2]" 1
182 1 21 LYS H 1 21 LYS QG . . 4.730 2.419 2.361 2.459 . 0 0 "[ . 1 . 2]" 1
183 1 21 LYS H 1 21 LYS HG3 . . 5.500 2.452 2.391 2.495 . 0 0 "[ . 1 . 2]" 1
184 1 21 LYS H 1 22 ALA H . . 3.480 2.558 2.531 2.595 . 0 0 "[ . 1 . 2]" 1
185 1 21 LYS H 1 23 GLY H . . 5.500 4.050 4.021 4.075 . 0 0 "[ . 1 . 2]" 1
186 1 21 LYS HA 1 23 GLY H . . 4.440 3.778 3.751 3.827 . 0 0 "[ . 1 . 2]" 1
187 1 21 LYS HB2 1 22 ALA H . . 3.990 2.976 2.929 3.005 . 0 0 "[ . 1 . 2]" 1
188 1 21 LYS HB3 1 22 ALA H . . 4.260 3.835 3.801 3.860 . 0 0 "[ . 1 . 2]" 1
189 1 21 LYS HB3 1 22 ALA HA . . 4.230 4.324 4.314 4.354 0.124 14 0 "[ . 1 . 2]" 1
190 1 21 LYS QE 1 21 LYS QG . . 1.570 2.134 2.118 2.140 0.570 7 20 [******+*****-*******] 1
191 1 21 LYS QG 1 22 ALA H . . 5.340 4.291 4.264 4.312 . 0 0 "[ . 1 . 2]" 1
192 1 22 ALA H 1 23 GLY H . . 3.760 2.406 2.390 2.424 . 0 0 "[ . 1 . 2]" 1
193 1 22 ALA H 1 23 GLY QA . . 4.920 4.385 4.365 4.401 . 0 0 "[ . 1 . 2]" 1
194 1 22 ALA H 1 24 ILE H . . 4.740 3.494 3.347 3.569 . 0 0 "[ . 1 . 2]" 1
195 1 22 ALA HA 1 23 GLY H . . 3.560 3.344 3.320 3.353 . 0 0 "[ . 1 . 2]" 1
196 1 22 ALA HA 1 23 GLY HA2 . . 5.470 5.043 5.027 5.065 . 0 0 "[ . 1 . 2]" 1
197 1 22 ALA HA 1 23 GLY QA . . 4.810 4.170 4.163 4.178 . 0 0 "[ . 1 . 2]" 1
198 1 22 ALA HA 1 23 GLY HA3 . . 5.470 4.447 4.440 4.460 . 0 0 "[ . 1 . 2]" 1
199 1 22 ALA MB 1 23 GLY H . . 5.500 3.182 3.164 3.226 . 0 0 "[ . 1 . 2]" 1
200 1 22 ALA MB 1 24 ILE H . . 5.500 3.070 3.009 3.186 . 0 0 "[ . 1 . 2]" 1
201 1 23 GLY H 1 23 GLY QA . . 2.560 2.272 2.263 2.279 . 0 0 "[ . 1 . 2]" 1
202 1 23 GLY H 1 24 ILE H . . 4.280 2.261 2.246 2.302 . 0 0 "[ . 1 . 2]" 1
203 1 23 GLY H 1 24 ILE HB . . 5.500 4.547 4.524 4.591 . 0 0 "[ . 1 . 2]" 1
204 1 24 ILE H 1 24 ILE HB . . 2.960 2.510 2.492 2.531 . 0 0 "[ . 1 . 2]" 1
205 1 24 ILE H 1 24 ILE MD . . 5.490 3.406 3.356 3.436 . 0 0 "[ . 1 . 2]" 1
206 1 24 ILE H 1 24 ILE HG12 . . 2.700 2.313 2.230 2.402 . 0 0 "[ . 1 . 2]" 1
207 1 24 ILE HA 1 25 THR H . . 3.340 2.070 2.063 2.083 . 0 0 "[ . 1 . 2]" 1
208 1 24 ILE HA 1 26 SER H . . 4.300 3.509 3.423 3.612 . 0 0 "[ . 1 . 2]" 1
209 1 24 ILE MD 1 25 THR H . . 5.500 3.627 3.605 3.645 . 0 0 "[ . 1 . 2]" 1
210 1 24 ILE MG 1 25 THR H . . 4.890 2.620 2.519 2.681 . 0 0 "[ . 1 . 2]" 1
211 1 24 ILE MG 1 26 SER H . . 4.900 2.076 1.917 2.376 . 0 0 "[ . 1 . 2]" 1
212 1 25 THR H 1 25 THR HB . . 3.820 3.828 3.795 3.849 0.029 9 0 "[ . 1 . 2]" 1
213 1 25 THR H 1 25 THR MG . . 3.720 2.863 2.791 2.924 . 0 0 "[ . 1 . 2]" 1
214 1 25 THR H 1 26 SER H . . 4.610 2.076 1.854 2.312 . 0 0 "[ . 1 . 2]" 1
215 1 25 THR MG 1 26 SER H . . 5.500 4.233 4.093 4.312 . 0 0 "[ . 1 . 2]" 1
216 1 26 SER H 1 26 SER HB2 . . 3.770 2.662 2.478 2.802 . 0 0 "[ . 1 . 2]" 1
217 1 26 SER H 1 26 SER QB . . 3.110 2.243 2.235 2.265 . 0 0 "[ . 1 . 2]" 1
218 1 26 SER H 1 26 SER HB3 . . 3.770 2.428 2.367 2.544 . 0 0 "[ . 1 . 2]" 1
219 1 26 SER H 1 29 TYR HD2 . . 5.370 4.910 4.842 5.023 . 0 0 "[ . 1 . 2]" 1
220 1 26 SER HA 1 27 ASP H . . 3.420 2.227 2.198 2.266 . 0 0 "[ . 1 . 2]" 1
221 1 26 SER QB 1 29 TYR H . . 3.710 3.395 3.297 3.492 . 0 0 "[ . 1 . 2]" 1
222 1 26 SER QB 1 29 TYR HB2 . . 3.940 3.086 2.840 3.340 . 0 0 "[ . 1 . 2]" 1
223 1 26 SER QB 1 29 TYR HB3 . . 5.040 4.691 4.437 4.940 . 0 0 "[ . 1 . 2]" 1
224 1 26 SER QB 1 29 TYR HD2 . . 4.020 2.439 2.326 2.487 . 0 0 "[ . 1 . 2]" 1
225 1 27 ASP H 1 27 ASP HB2 . . 3.810 2.480 2.472 2.489 . 0 0 "[ . 1 . 2]" 1
226 1 27 ASP H 1 27 ASP QB . . 3.290 2.436 2.430 2.444 . 0 0 "[ . 1 . 2]" 1
227 1 27 ASP H 1 27 ASP HB3 . . 3.810 3.565 3.563 3.569 . 0 0 "[ . 1 . 2]" 1
228 1 27 ASP H 1 28 TYR H . . 4.760 2.538 2.474 2.597 . 0 0 "[ . 1 . 2]" 1
229 1 27 ASP HA 1 30 PHE H . . 4.210 3.254 3.101 3.414 . 0 0 "[ . 1 . 2]" 1
230 1 27 ASP HA 1 30 PHE QB . . 3.310 2.055 1.951 2.191 . 0 0 "[ . 1 . 2]" 1
231 1 28 TYR H 1 28 TYR HB2 . . 3.230 2.545 2.530 2.554 . 0 0 "[ . 1 . 2]" 1
232 1 28 TYR H 1 28 TYR HB3 . . 3.230 2.460 2.450 2.474 . 0 0 "[ . 1 . 2]" 1
233 1 28 TYR H 1 28 TYR HD1 . . 5.220 4.740 4.723 4.751 . 0 0 "[ . 1 . 2]" 1
234 1 28 TYR H 1 28 TYR HD2 . . 5.500 4.694 4.681 4.711 . 0 0 "[ . 1 . 2]" 1
235 1 28 TYR H 1 29 TYR H . . 4.840 2.916 2.900 2.942 . 0 0 "[ . 1 . 2]" 1
236 1 28 TYR H 1 31 ASP QB . . 5.340 4.993 4.850 5.371 0.031 14 0 "[ . 1 . 2]" 1
237 1 28 TYR HA 1 28 TYR HD1 . . 3.420 2.800 2.791 2.812 . 0 0 "[ . 1 . 2]" 1
238 1 28 TYR HA 1 31 ASP H . . 3.900 3.613 3.585 3.673 . 0 0 "[ . 1 . 2]" 1
239 1 28 TYR HA 1 31 ASP QB . . 3.430 3.025 2.926 3.164 . 0 0 "[ . 1 . 2]" 1
240 1 28 TYR QB 1 28 TYR HD1 . . 3.020 2.488 2.483 2.492 . 0 0 "[ . 1 . 2]" 1
241 1 28 TYR QB 1 28 TYR HD2 . . 2.960 2.345 2.341 2.348 . 0 0 "[ . 1 . 2]" 1
242 1 28 TYR QB 1 28 TYR HE2 . . 4.410 4.413 4.412 4.415 0.005 18 0 "[ . 1 . 2]" 1
243 1 28 TYR QB 1 29 TYR H . . 3.180 2.272 2.240 2.302 . 0 0 "[ . 1 . 2]" 1
244 1 28 TYR HB2 1 29 TYR H . . 3.870 3.759 3.741 3.776 . 0 0 "[ . 1 . 2]" 1
245 1 28 TYR HB3 1 29 TYR H . . 3.870 2.291 2.258 2.322 . 0 0 "[ . 1 . 2]" 1
246 1 28 TYR HD2 1 29 TYR H . . 4.400 2.977 2.893 3.033 . 0 0 "[ . 1 . 2]" 1
247 1 28 TYR HD2 1 29 TYR HD1 . . 3.910 3.522 3.474 3.561 . 0 0 "[ . 1 . 2]" 1
248 1 28 TYR HD2 1 29 TYR HE1 . . 3.830 3.775 3.723 3.836 0.006 7 0 "[ . 1 . 2]" 1
249 1 28 TYR HE2 1 29 TYR HD1 . . 4.860 3.653 3.604 3.710 . 0 0 "[ . 1 . 2]" 1
250 1 28 TYR HE2 1 29 TYR HE1 . . 3.800 2.891 2.847 2.946 . 0 0 "[ . 1 . 2]" 1
251 1 29 TYR H 1 29 TYR HB2 . . 3.190 2.370 2.336 2.400 . 0 0 "[ . 1 . 2]" 1
252 1 29 TYR H 1 29 TYR HB3 . . 3.740 3.597 3.587 3.606 . 0 0 "[ . 1 . 2]" 1
253 1 29 TYR H 1 29 TYR HD1 . . 4.360 4.419 4.398 4.440 0.080 3 0 "[ . 1 . 2]" 1
254 1 29 TYR H 1 29 TYR HD2 . . 3.990 2.931 2.817 3.054 . 0 0 "[ . 1 . 2]" 1
255 1 29 TYR H 1 30 PHE H . . 3.760 2.521 2.485 2.551 . 0 0 "[ . 1 . 2]" 1
256 1 29 TYR H 1 31 ASP H . . 5.500 3.941 3.890 4.017 . 0 0 "[ . 1 . 2]" 1
257 1 29 TYR HA 1 29 TYR HD1 . . 3.140 2.453 2.364 2.538 . 0 0 "[ . 1 . 2]" 1
258 1 29 TYR HA 1 29 TYR HE1 . . 4.760 4.615 4.548 4.679 . 0 0 "[ . 1 . 2]" 1
259 1 29 TYR HA 1 32 LEU H . . 3.460 3.021 2.941 3.066 . 0 0 "[ . 1 . 2]" 1
260 1 29 TYR HA 1 32 LEU HB2 . . 3.570 2.645 2.514 2.698 . 0 0 "[ . 1 . 2]" 1
261 1 29 TYR HA 1 32 LEU HB3 . . 4.220 4.213 4.088 4.275 0.055 6 0 "[ . 1 . 2]" 1
262 1 29 TYR HB2 1 29 TYR HD2 . . 3.160 2.326 2.321 2.334 . 0 0 "[ . 1 . 2]" 1
263 1 29 TYR HB2 1 30 PHE H . . 3.580 2.836 2.787 2.887 . 0 0 "[ . 1 . 2]" 1
264 1 29 TYR HB2 1 32 LEU MD1 . . 5.030 4.811 4.797 4.831 . 0 0 "[ . 1 . 2]" 1
265 1 29 TYR HB2 1 49 ILE MD . . 4.410 3.165 2.624 3.257 . 0 0 "[ . 1 . 2]" 1
266 1 29 TYR HB2 1 49 ILE MG . . 5.100 3.865 3.590 4.807 . 0 0 "[ . 1 . 2]" 1
267 1 29 TYR HE2 1 49 ILE MD . . 3.800 3.381 3.305 3.639 . 0 0 "[ . 1 . 2]" 1
268 1 30 PHE H 1 30 PHE QB . . 3.230 2.411 2.391 2.457 . 0 0 "[ . 1 . 2]" 1
269 1 30 PHE H 1 30 PHE HD1 . . 3.890 2.316 2.192 2.493 . 0 0 "[ . 1 . 2]" 1
270 1 30 PHE H 1 31 ASP H . . 2.850 2.628 2.601 2.644 . 0 0 "[ . 1 . 2]" 1
271 1 30 PHE H 1 31 ASP QB . . 5.340 4.430 4.372 4.681 . 0 0 "[ . 1 . 2]" 1
272 1 30 PHE H 1 32 LEU MD1 . . 5.500 4.654 4.596 4.720 . 0 0 "[ . 1 . 2]" 1
273 1 30 PHE QB 1 30 PHE HE1 . . 4.800 4.692 4.690 4.696 . 0 0 "[ . 1 . 2]" 1
274 1 30 PHE QB 1 31 ASP H . . 3.400 2.856 2.838 2.881 . 0 0 "[ . 1 . 2]" 1
275 1 30 PHE HB2 1 31 ASP H . . 4.160 2.942 2.924 2.967 . 0 0 "[ . 1 . 2]" 1
276 1 30 PHE HB3 1 31 ASP H . . 4.160 3.866 3.828 3.929 . 0 0 "[ . 1 . 2]" 1
277 1 31 ASP H 1 31 ASP HB2 . . 3.210 2.462 2.444 2.470 . 0 0 "[ . 1 . 2]" 1
278 1 31 ASP H 1 31 ASP QB . . 2.750 2.268 2.237 2.423 . 0 0 "[ . 1 . 2]" 1
279 1 31 ASP H 1 31 ASP HB3 . . 3.210 2.725 2.560 3.563 0.353 17 0 "[ . 1 . 2]" 1
280 1 31 ASP H 1 32 LEU H . . 4.170 2.545 2.532 2.574 . 0 0 "[ . 1 . 2]" 1
281 1 31 ASP HA 1 31 ASP QB . . 2.640 2.442 2.318 2.468 . 0 0 "[ . 1 . 2]" 1
282 1 31 ASP HA 1 34 ASN HD21 . . 3.790 2.623 2.500 2.840 . 0 0 "[ . 1 . 2]" 1
283 1 31 ASP HA 1 34 ASN HD22 . . 4.430 3.461 3.269 3.762 . 0 0 "[ . 1 . 2]" 1
284 1 31 ASP QB 1 32 LEU H . . 3.400 2.698 2.639 2.914 . 0 0 "[ . 1 . 2]" 1
285 1 31 ASP QB 1 32 LEU MD1 . . 5.270 2.593 2.509 2.802 . 0 0 "[ . 1 . 2]" 1
286 1 31 ASP QB 1 32 LEU HG . . 5.050 4.971 4.928 5.047 . 0 0 "[ . 1 . 2]" 1
287 1 31 ASP QB 1 34 ASN HD21 . . 5.340 4.346 3.839 4.639 . 0 0 "[ . 1 . 2]" 1
288 1 32 LEU H 1 32 LEU HB2 . . 3.060 1.966 1.944 1.986 . 0 0 "[ . 1 . 2]" 1
289 1 32 LEU H 1 32 LEU HB3 . . 3.530 3.450 3.424 3.469 . 0 0 "[ . 1 . 2]" 1
290 1 32 LEU H 1 32 LEU MD1 . . 3.510 2.394 2.335 2.481 . 0 0 "[ . 1 . 2]" 1
291 1 32 LEU H 1 32 LEU HG . . 4.700 4.082 4.057 4.118 . 0 0 "[ . 1 . 2]" 1
292 1 32 LEU H 1 33 ILE H . . 2.680 2.639 2.625 2.651 . 0 0 "[ . 1 . 2]" 1
293 1 32 LEU HA 1 32 LEU HB3 . . 2.880 2.781 2.761 2.801 . 0 0 "[ . 1 . 2]" 1
294 1 32 LEU HA 1 35 LYS H . . 3.320 3.222 3.075 3.360 0.040 14 0 "[ . 1 . 2]" 1
295 1 32 LEU HA 1 35 LYS HB2 . . 3.840 3.122 2.455 3.784 . 0 0 "[ . 1 . 2]" 1
296 1 32 LEU HA 1 35 LYS QB . . 3.230 2.795 2.437 3.127 . 0 0 "[ . 1 . 2]" 1
297 1 32 LEU HA 1 35 LYS HB3 . . 3.840 3.745 3.221 4.313 0.473 13 0 "[ . 1 . 2]" 1
298 1 32 LEU HB2 1 32 LEU MD1 . . 2.650 2.311 2.288 2.327 . 0 0 "[ . 1 . 2]" 1
299 1 32 LEU HB2 1 33 ILE H . . 3.340 2.875 2.812 2.936 . 0 0 "[ . 1 . 2]" 1
300 1 32 LEU HB3 1 33 ILE H . . 3.800 3.331 3.301 3.354 . 0 0 "[ . 1 . 2]" 1
301 1 32 LEU HG 1 35 LYS H . . 5.500 5.494 5.420 5.556 0.056 5 0 "[ . 1 . 2]" 1
302 1 33 ILE H 1 33 ILE HB . . 3.620 3.643 3.640 3.646 0.026 9 0 "[ . 1 . 2]" 1
303 1 33 ILE H 1 33 ILE QG . . 2.490 2.185 2.149 2.222 . 0 0 "[ . 1 . 2]" 1
304 1 33 ILE H 1 34 ASN H . . 4.630 2.532 2.519 2.553 . 0 0 "[ . 1 . 2]" 1
305 1 33 ILE H 1 34 ASN QB . . 5.260 4.774 4.758 4.788 . 0 0 "[ . 1 . 2]" 1
306 1 33 ILE H 1 35 LYS H . . 5.360 4.208 4.084 4.338 . 0 0 "[ . 1 . 2]" 1
307 1 33 ILE H 1 45 LEU MD1 . . 5.500 3.486 3.198 3.566 . 0 0 "[ . 1 . 2]" 1
308 1 33 ILE HB 1 34 ASN H . . 4.630 4.016 4.004 4.030 . 0 0 "[ . 1 . 2]" 1
309 1 33 ILE MD 1 34 ASN H . . 5.500 3.894 3.829 3.964 . 0 0 "[ . 1 . 2]" 1
310 1 33 ILE MD 1 34 ASN HA . . 4.420 4.190 4.147 4.224 . 0 0 "[ . 1 . 2]" 1
311 1 33 ILE MD 1 34 ASN HD22 . . 5.500 4.408 4.384 4.421 . 0 0 "[ . 1 . 2]" 1
312 1 33 ILE HG12 1 34 ASN H . . 5.500 3.445 3.393 3.467 . 0 0 "[ . 1 . 2]" 1
313 1 33 ILE HG13 1 34 ASN H . . 5.500 2.194 2.125 2.266 . 0 0 "[ . 1 . 2]" 1
314 1 33 ILE MG 1 34 ASN H . . 5.500 4.029 3.991 4.057 . 0 0 "[ . 1 . 2]" 1
315 1 34 ASN H 1 34 ASN QB . . 3.210 2.606 2.599 2.609 . 0 0 "[ . 1 . 2]" 1
316 1 34 ASN H 1 34 ASN HD21 . . 4.850 4.005 3.955 4.060 . 0 0 "[ . 1 . 2]" 1
317 1 34 ASN H 1 35 LYS H . . 2.970 2.503 2.493 2.523 . 0 0 "[ . 1 . 2]" 1
318 1 34 ASN H 1 35 LYS QB . . 5.340 4.282 4.225 4.342 . 0 0 "[ . 1 . 2]" 1
319 1 34 ASN H 1 45 LEU MD1 . . 5.500 4.601 4.487 4.692 . 0 0 "[ . 1 . 2]" 1
320 1 34 ASN HA 1 36 ALA H . . 4.470 3.640 3.597 3.704 . 0 0 "[ . 1 . 2]" 1
321 1 34 ASN HA 1 42 VAL MG2 . . 5.500 4.377 4.319 4.401 . 0 0 "[ . 1 . 2]" 1
322 1 34 ASN HB2 1 34 ASN HD21 . . 3.330 2.160 2.147 2.173 . 0 0 "[ . 1 . 2]" 1
323 1 34 ASN HB2 1 34 ASN HD22 . . 3.990 3.454 3.448 3.459 . 0 0 "[ . 1 . 2]" 1
324 1 34 ASN HB2 1 35 LYS H . . 4.290 2.900 2.851 2.939 . 0 0 "[ . 1 . 2]" 1
325 1 34 ASN HB3 1 34 ASN HD21 . . 3.330 3.032 3.007 3.056 . 0 0 "[ . 1 . 2]" 1
326 1 34 ASN HB3 1 34 ASN HD22 . . 3.990 3.840 3.827 3.851 . 0 0 "[ . 1 . 2]" 1
327 1 34 ASN HB3 1 35 LYS H . . 4.290 3.574 3.540 3.597 . 0 0 "[ . 1 . 2]" 1
328 1 35 LYS H 1 35 LYS HB2 . . 3.490 2.419 2.337 2.498 . 0 0 "[ . 1 . 2]" 1
329 1 35 LYS H 1 35 LYS QB . . 2.950 2.273 2.231 2.320 . 0 0 "[ . 1 . 2]" 1
330 1 35 LYS H 1 35 LYS HB3 . . 3.490 3.050 2.512 3.587 0.097 17 0 "[ . 1 . 2]" 1
331 1 35 LYS H 1 36 ALA H . . 3.270 2.583 2.573 2.591 . 0 0 "[ . 1 . 2]" 1
332 1 35 LYS QB 1 36 ALA H . . 4.290 2.982 2.937 3.022 . 0 0 "[ . 1 . 2]" 1
333 1 35 LYS HB2 1 36 ALA H . . 5.110 3.607 3.051 4.107 . 0 0 "[ . 1 . 2]" 1
334 1 35 LYS HB2 1 36 ALA HA . . 5.500 5.017 4.444 5.587 0.087 14 0 "[ . 1 . 2]" 1
335 1 35 LYS HB3 1 36 ALA H . . 5.110 3.477 3.011 3.932 . 0 0 "[ . 1 . 2]" 1
336 1 35 LYS HB3 1 36 ALA HA . . 5.500 4.267 4.156 4.375 . 0 0 "[ . 1 . 2]" 1
337 1 35 LYS QG 1 36 ALA H . . 5.340 4.186 4.004 4.356 . 0 0 "[ . 1 . 2]" 1
338 1 36 ALA H 1 38 THR H . . 5.310 5.208 5.192 5.226 . 0 0 "[ . 1 . 2]" 1
339 1 36 ALA H 1 42 VAL HA . . 5.500 5.199 5.165 5.293 . 0 0 "[ . 1 . 2]" 1
340 1 36 ALA H 1 42 VAL MG2 . . 5.370 3.798 3.779 3.815 . 0 0 "[ . 1 . 2]" 1
341 1 36 ALA H 1 45 LEU MD1 . . 5.500 3.534 3.499 3.611 . 0 0 "[ . 1 . 2]" 1
342 1 36 ALA HA 1 37 LYS HB2 . . 4.810 4.726 4.694 4.765 . 0 0 "[ . 1 . 2]" 1
343 1 36 ALA HA 1 37 LYS HB3 . . 5.090 4.787 4.767 4.807 . 0 0 "[ . 1 . 2]" 1
344 1 36 ALA HA 1 38 THR H . . 4.540 3.023 3.004 3.063 . 0 0 "[ . 1 . 2]" 1
345 1 36 ALA HA 1 41 GLY HA3 . . 5.060 3.602 3.523 3.759 . 0 0 "[ . 1 . 2]" 1
346 1 36 ALA HA 1 42 VAL MG2 . . 5.240 4.202 4.180 4.226 . 0 0 "[ . 1 . 2]" 1
347 1 36 ALA HA 1 45 LEU MD1 . . 4.410 3.385 3.237 3.680 . 0 0 "[ . 1 . 2]" 1
348 1 36 ALA MB 1 37 LYS H . . 4.380 3.698 3.693 3.702 . 0 0 "[ . 1 . 2]" 1
349 1 36 ALA MB 1 38 THR H . . 5.500 3.175 3.152 3.222 . 0 0 "[ . 1 . 2]" 1
350 1 36 ALA MB 1 42 VAL H . . 4.670 2.458 2.414 2.574 . 0 0 "[ . 1 . 2]" 1
351 1 37 LYS H 1 37 LYS HB2 . . 3.120 2.353 2.326 2.385 . 0 0 "[ . 1 . 2]" 1
352 1 37 LYS H 1 37 LYS HB3 . . 4.120 2.654 2.618 2.682 . 0 0 "[ . 1 . 2]" 1
353 1 37 LYS H 1 38 THR H . . 4.010 2.707 2.701 2.711 . 0 0 "[ . 1 . 2]" 1
354 1 37 LYS H 1 38 THR HA . . 5.500 5.365 5.354 5.371 . 0 0 "[ . 1 . 2]" 1
355 1 37 LYS HB2 1 37 LYS QG . . 2.580 2.397 2.393 2.402 . 0 0 "[ . 1 . 2]" 1
356 1 37 LYS HB2 1 38 THR H . . 4.690 4.176 4.156 4.195 . 0 0 "[ . 1 . 2]" 1
357 1 37 LYS HB3 1 37 LYS QD . . 3.450 2.491 2.480 2.498 . 0 0 "[ . 1 . 2]" 1
358 1 37 LYS HB3 1 38 THR H . . 5.500 3.354 3.328 3.374 . 0 0 "[ . 1 . 2]" 1
359 1 38 THR H 1 41 GLY H . . 5.500 4.094 4.053 4.177 . 0 0 "[ . 1 . 2]" 1
360 1 38 THR H 1 41 GLY HA3 . . 3.960 3.930 3.869 4.008 0.048 13 0 "[ . 1 . 2]" 1
361 1 38 THR H 1 42 VAL H . . 5.500 4.693 4.614 4.754 . 0 0 "[ . 1 . 2]" 1
362 1 38 THR HA 1 39 VAL H . . 3.200 2.225 2.210 2.234 . 0 0 "[ . 1 . 2]" 1
363 1 38 THR HA 1 40 GLU H . . 4.470 4.075 4.041 4.097 . 0 0 "[ . 1 . 2]" 1
364 1 38 THR HA 1 41 GLY H . . 4.440 4.509 4.495 4.530 0.090 5 0 "[ . 1 . 2]" 1
365 1 38 THR HB 1 39 VAL H . . 3.080 2.735 2.713 2.781 . 0 0 "[ . 1 . 2]" 1
366 1 38 THR HB 1 40 GLU H . . 3.100 2.722 2.696 2.744 . 0 0 "[ . 1 . 2]" 1
367 1 38 THR HB 1 41 GLY H . . 3.740 3.185 3.109 3.217 . 0 0 "[ . 1 . 2]" 1
368 1 38 THR MG 1 39 VAL H . . 5.500 3.887 3.874 3.902 . 0 0 "[ . 1 . 2]" 1
369 1 38 THR MG 1 41 GLY H . . 5.500 4.012 3.982 4.031 . 0 0 "[ . 1 . 2]" 1
370 1 39 VAL HA 1 42 VAL H . . 4.450 3.391 3.374 3.410 . 0 0 "[ . 1 . 2]" 1
371 1 39 VAL HA 1 43 ASN H . . 5.500 4.416 4.219 4.568 . 0 0 "[ . 1 . 2]" 1
372 1 39 VAL MG1 1 40 GLU H . . 5.500 3.397 3.387 3.410 . 0 0 "[ . 1 . 2]" 1
373 1 39 VAL MG2 1 40 GLU H . . 5.040 3.937 3.933 3.940 . 0 0 "[ . 1 . 2]" 1
374 1 40 GLU H 1 40 GLU QB . . 3.350 2.340 2.339 2.342 . 0 0 "[ . 1 . 2]" 1
375 1 40 GLU H 1 40 GLU QG . . 4.180 2.300 2.297 2.304 . 0 0 "[ . 1 . 2]" 1
376 1 40 GLU H 1 41 GLY H . . 3.990 2.638 2.634 2.647 . 0 0 "[ . 1 . 2]" 1
377 1 40 GLU H 1 41 GLY HA3 . . 4.820 4.922 4.916 4.931 0.111 3 0 "[ . 1 . 2]" 1
378 1 40 GLU HA 1 40 GLU QG . . 2.820 2.441 2.439 2.442 . 0 0 "[ . 1 . 2]" 1
379 1 40 GLU QB 1 41 GLY HA2 . . 4.210 3.951 3.946 3.959 . 0 0 "[ . 1 . 2]" 1
380 1 40 GLU QB 1 41 GLY HA3 . . 5.340 4.408 4.389 4.418 . 0 0 "[ . 1 . 2]" 1
381 1 40 GLU QG 1 41 GLY H . . 5.340 4.166 4.158 4.172 . 0 0 "[ . 1 . 2]" 1
382 1 41 GLY H 1 41 GLY HA3 . . 2.660 2.311 2.310 2.312 . 0 0 "[ . 1 . 2]" 1
383 1 41 GLY H 1 42 VAL H . . 4.340 2.755 2.747 2.763 . 0 0 "[ . 1 . 2]" 1
384 1 41 GLY H 1 42 VAL HB . . 5.500 4.918 4.905 4.931 . 0 0 "[ . 1 . 2]" 1
385 1 41 GLY H 1 43 ASN H . . 5.500 4.303 4.270 4.345 . 0 0 "[ . 1 . 2]" 1
386 1 41 GLY H 1 44 ALA H . . 5.500 4.673 4.627 4.713 . 0 0 "[ . 1 . 2]" 1
387 1 41 GLY HA2 1 42 VAL HA . . 5.500 4.839 4.827 4.845 . 0 0 "[ . 1 . 2]" 1
388 1 41 GLY HA2 1 44 ALA H . . 3.830 3.512 3.491 3.549 . 0 0 "[ . 1 . 2]" 1
389 1 41 GLY HA2 1 44 ALA HA . . 5.310 5.414 5.404 5.432 0.122 13 0 "[ . 1 . 2]" 1
390 1 41 GLY HA2 1 44 ALA MB . . 4.170 2.521 2.515 2.531 . 0 0 "[ . 1 . 2]" 1
391 1 41 GLY HA2 1 45 LEU H . . 4.700 3.648 3.581 3.811 . 0 0 "[ . 1 . 2]" 1
392 1 41 GLY HA2 1 45 LEU MD1 . . 5.260 3.543 3.487 3.695 . 0 0 "[ . 1 . 2]" 1
393 1 41 GLY HA3 1 42 VAL H . . 3.130 2.753 2.733 2.767 . 0 0 "[ . 1 . 2]" 1
394 1 41 GLY HA3 1 42 VAL HA . . 5.500 4.341 4.334 4.352 . 0 0 "[ . 1 . 2]" 1
395 1 41 GLY HA3 1 42 VAL HB . . 5.500 5.200 5.183 5.213 . 0 0 "[ . 1 . 2]" 1
396 1 41 GLY HA3 1 42 VAL MG2 . . 4.810 3.953 3.925 3.970 . 0 0 "[ . 1 . 2]" 1
397 1 41 GLY HA3 1 45 LEU MD1 . . 5.180 3.163 3.092 3.339 . 0 0 "[ . 1 . 2]" 1
398 1 42 VAL H 1 45 LEU H . . 5.500 4.742 4.711 4.787 . 0 0 "[ . 1 . 2]" 1
399 1 42 VAL H 1 45 LEU MD1 . . 5.500 3.663 3.651 3.675 . 0 0 "[ . 1 . 2]" 1
400 1 42 VAL HA 1 45 LEU H . . 5.500 3.798 3.674 3.875 . 0 0 "[ . 1 . 2]" 1
401 1 42 VAL HA 1 45 LEU HB2 . . 4.390 3.078 2.975 3.207 . 0 0 "[ . 1 . 2]" 1
402 1 42 VAL HB 1 43 ASN H . . 4.380 2.636 2.611 2.645 . 0 0 "[ . 1 . 2]" 1
403 1 42 VAL MG1 1 43 ASN H . . 3.790 3.309 3.281 3.325 . 0 0 "[ . 1 . 2]" 1
404 1 43 ASN H 1 43 ASN QD . . 5.340 4.441 4.438 4.447 . 0 0 "[ . 1 . 2]" 1
405 1 43 ASN H 1 44 ALA H . . 2.550 2.555 2.548 2.566 0.016 14 0 "[ . 1 . 2]" 1
406 1 43 ASN H 1 44 ALA MB . . 5.500 4.255 4.249 4.261 . 0 0 "[ . 1 . 2]" 1
407 1 43 ASN H 1 45 LEU H . . 5.500 4.208 4.142 4.240 . 0 0 "[ . 1 . 2]" 1
408 1 43 ASN H 1 45 LEU MD1 . . 4.820 4.763 4.686 4.790 . 0 0 "[ . 1 . 2]" 1
409 1 43 ASN HA 1 44 ALA HA . . 4.980 4.759 4.753 4.768 . 0 0 "[ . 1 . 2]" 1
410 1 43 ASN HB3 1 44 ALA H . . 3.210 2.357 2.346 2.398 . 0 0 "[ . 1 . 2]" 1
411 1 43 ASN QD 1 47 ASP HB2 . . 4.570 3.918 3.785 3.994 . 0 0 "[ . 1 . 2]" 1
412 1 44 ALA H 1 45 LEU H . . 3.000 2.689 2.672 2.704 . 0 0 "[ . 1 . 2]" 1
413 1 44 ALA H 1 46 LYS H . . 5.500 4.316 4.231 4.510 . 0 0 "[ . 1 . 2]" 1
414 1 44 ALA H 1 47 ASP HB2 . . 5.360 4.794 4.727 4.814 . 0 0 "[ . 1 . 2]" 1
415 1 44 ALA HA 1 47 ASP H . . 4.000 3.572 3.454 3.612 . 0 0 "[ . 1 . 2]" 1
416 1 44 ALA HA 1 47 ASP HB2 . . 3.720 2.715 2.690 2.729 . 0 0 "[ . 1 . 2]" 1
417 1 44 ALA HA 1 47 ASP HB3 . . 4.030 3.385 3.135 3.461 . 0 0 "[ . 1 . 2]" 1
418 1 44 ALA MB 1 45 LEU H . . 4.260 2.453 2.423 2.508 . 0 0 "[ . 1 . 2]" 1
419 1 44 ALA MB 1 47 ASP HB2 . . 5.500 4.331 4.308 4.343 . 0 0 "[ . 1 . 2]" 1
420 1 45 LEU H 1 45 LEU HB2 . . 3.260 2.349 2.331 2.366 . 0 0 "[ . 1 . 2]" 1
421 1 45 LEU H 1 45 LEU HB3 . . 3.730 3.610 3.608 3.612 . 0 0 "[ . 1 . 2]" 1
422 1 45 LEU H 1 45 LEU MD1 . . 2.700 3.062 3.031 3.075 0.375 1 0 "[ . 1 . 2]" 1
423 1 45 LEU H 1 45 LEU HG . . 5.500 2.221 2.191 2.257 . 0 0 "[ . 1 . 2]" 1
424 1 45 LEU H 1 46 LYS H . . 3.000 2.797 2.700 2.865 . 0 0 "[ . 1 . 2]" 1
425 1 45 LEU HB2 1 45 LEU MD1 . . 2.470 2.240 2.232 2.243 . 0 0 "[ . 1 . 2]" 1
426 1 45 LEU HB2 1 46 LYS H . . 2.400 2.223 2.144 2.309 . 0 0 "[ . 1 . 2]" 1
427 1 45 LEU HB2 1 46 LYS HA . . 4.180 4.232 4.211 4.287 0.107 7 0 "[ . 1 . 2]" 1
428 1 45 LEU HB2 1 47 ASP H . . 5.500 4.551 4.436 4.640 . 0 0 "[ . 1 . 2]" 1
429 1 45 LEU HB3 1 45 LEU MD2 . . 2.880 2.238 2.231 2.240 . 0 0 "[ . 1 . 2]" 1
430 1 45 LEU HB3 1 46 LYS H . . 3.660 3.382 3.262 3.494 . 0 0 "[ . 1 . 2]" 1
431 1 45 LEU MD1 1 46 LYS H . . 3.560 3.986 3.924 4.044 0.484 7 0 "[ . 1 . 2]" 1
432 1 46 LYS H 1 47 ASP H . . 3.520 2.667 2.651 2.702 . 0 0 "[ . 1 . 2]" 1
433 1 46 LYS HA 1 49 ILE H . . 3.970 3.186 3.133 3.488 . 0 0 "[ . 1 . 2]" 1
434 1 46 LYS HA 1 49 ILE HB . . 3.430 2.769 2.285 3.329 . 0 0 "[ . 1 . 2]" 1
435 1 46 LYS QB 1 46 LYS QE . . 1.560 1.978 1.845 2.272 0.712 14 2 "[ . 1 -+. 2]" 1
436 1 46 LYS QE 1 46 LYS QG . . 1.570 2.257 2.146 2.309 0.739 6 20 [*****+*******-******] 1
437 1 46 LYS QE 1 47 ASP HA . . 4.880 3.492 3.132 3.598 . 0 0 "[ . 1 . 2]" 1
438 1 46 LYS QE 1 50 LEU QB . . 1.570 2.066 1.951 2.631 1.061 13 3 "[ . - 1 +*. 2]" 1
439 1 46 LYS HE2 1 47 ASP H . . 5.500 4.122 3.684 4.316 . 0 0 "[ . 1 . 2]" 1
440 1 46 LYS HE3 1 47 ASP H . . 5.500 5.119 4.739 5.215 . 0 0 "[ . 1 . 2]" 1
441 1 46 LYS QG 1 47 ASP H . . 5.340 4.008 2.236 4.227 . 0 0 "[ . 1 . 2]" 1
442 1 47 ASP H 1 47 ASP HB2 . . 2.870 2.355 2.300 2.413 . 0 0 "[ . 1 . 2]" 1
443 1 47 ASP H 1 47 ASP HB3 . . 3.150 2.709 2.612 2.786 . 0 0 "[ . 1 . 2]" 1
444 1 47 ASP H 1 48 GLU H . . 3.370 2.861 2.791 2.885 . 0 0 "[ . 1 . 2]" 1
445 1 47 ASP HA 1 47 ASP HB2 . . 3.000 2.652 2.622 2.696 . 0 0 "[ . 1 . 2]" 1
446 1 47 ASP HA 1 50 LEU HB2 . . 4.180 3.839 3.366 3.931 . 0 0 "[ . 1 . 2]" 1
447 1 47 ASP HA 1 50 LEU QB . . 3.530 2.620 2.163 2.712 . 0 0 "[ . 1 . 2]" 1
448 1 47 ASP HA 1 50 LEU HB3 . . 4.180 2.668 2.190 2.789 . 0 0 "[ . 1 . 2]" 1
449 1 47 ASP HB2 1 48 GLU H . . 4.180 3.763 3.725 3.782 . 0 0 "[ . 1 . 2]" 1
450 1 47 ASP HB2 1 50 LEU QB . . 5.090 5.049 4.648 5.115 0.025 20 0 "[ . 1 . 2]" 1
451 1 47 ASP HB3 1 48 GLU H . . 3.750 2.445 2.314 2.627 . 0 0 "[ . 1 . 2]" 1
452 1 47 ASP HB3 1 48 GLU HA . . 4.830 4.052 3.932 4.142 . 0 0 "[ . 1 . 2]" 1
453 1 47 ASP HB3 1 48 GLU QG . . 3.910 3.264 3.204 3.398 . 0 0 "[ . 1 . 2]" 1
454 1 48 GLU H 1 48 GLU QB . . 3.660 2.341 2.323 2.353 . 0 0 "[ . 1 . 2]" 1
455 1 48 GLU H 1 49 ILE H . . 2.850 2.630 2.548 2.723 . 0 0 "[ . 1 . 2]" 1
456 1 48 GLU HA 1 48 GLU QG . . 3.270 2.471 2.442 2.984 . 0 0 "[ . 1 . 2]" 1
457 1 48 GLU QB 1 49 ILE H . . 3.740 2.628 2.502 2.673 . 0 0 "[ . 1 . 2]" 1
458 1 49 ILE H 1 49 ILE HB . . 2.940 2.500 2.407 2.518 . 0 0 "[ . 1 . 2]" 1
459 1 49 ILE H 1 49 ILE MD . . 4.810 3.340 3.278 3.606 . 0 0 "[ . 1 . 2]" 1
460 1 49 ILE H 1 49 ILE QG . . 3.020 2.169 2.136 2.361 . 0 0 "[ . 1 . 2]" 1
461 1 49 ILE H 1 50 LEU H . . 3.470 2.501 2.461 2.541 . 0 0 "[ . 1 . 2]" 1
462 1 49 ILE HB 1 49 ILE QG . . 2.630 2.147 2.135 2.357 . 0 0 "[ . 1 . 2]" 1
463 1 49 ILE HB 1 50 LEU H . . 3.330 2.647 2.581 2.745 . 0 0 "[ . 1 . 2]" 1
464 1 49 ILE HB 1 50 LEU QB . . 5.340 3.973 3.880 4.134 . 0 0 "[ . 1 . 2]" 1
465 1 49 ILE QG 1 50 LEU H . . 4.280 3.943 3.897 4.104 . 0 0 "[ . 1 . 2]" 1
466 1 49 ILE MG 1 50 LEU H . . 4.540 3.477 3.374 3.514 . 0 0 "[ . 1 . 2]" 1
467 1 50 LEU H 1 50 LEU HB2 . . 3.330 2.459 2.443 2.479 . 0 0 "[ . 1 . 2]" 1
468 1 50 LEU H 1 50 LEU QB . . 2.820 2.202 2.198 2.206 . 0 0 "[ . 1 . 2]" 1
469 1 50 LEU H 1 50 LEU HB3 . . 3.330 2.485 2.470 2.494 . 0 0 "[ . 1 . 2]" 1
470 1 50 LEU H 1 51 LYS H . . 2.870 2.631 2.604 2.680 . 0 0 "[ . 1 . 2]" 1
471 1 50 LEU QB 1 50 LEU MD1 . . 2.660 2.241 2.229 2.246 . 0 0 "[ . 1 . 2]" 1
472 1 50 LEU QB 1 51 LYS H . . 3.880 2.746 2.685 2.788 . 0 0 "[ . 1 . 2]" 1
473 1 51 LYS H 1 51 LYS HB2 . . 3.770 2.388 2.317 2.439 . 0 0 "[ . 1 . 2]" 1
474 1 51 LYS H 1 51 LYS QB . . 3.140 2.358 2.290 2.406 . 0 0 "[ . 1 . 2]" 1
475 1 51 LYS H 1 51 LYS HB3 . . 3.770 3.632 3.588 3.670 . 0 0 "[ . 1 . 2]" 1
476 1 51 LYS H 1 52 ALA H . . 3.060 2.491 2.382 2.594 . 0 0 "[ . 1 . 2]" 1
477 1 51 LYS HA 1 52 ALA H . . 3.080 3.277 3.066 3.479 0.399 20 0 "[ . 1 . 2]" 1
478 1 51 LYS HB2 1 52 ALA H . . 5.500 3.451 2.968 3.910 . 0 0 "[ . 1 . 2]" 1
479 1 51 LYS HB3 1 52 ALA H . . 5.500 4.126 3.806 4.378 . 0 0 "[ . 1 . 2]" 1
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