NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
651770 |
6sow   |
34430 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6sow
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 1141
_Distance_constraint_stats_list.Viol_count 2197
_Distance_constraint_stats_list.Viol_total 1936.440
_Distance_constraint_stats_list.Viol_max 0.804
_Distance_constraint_stats_list.Viol_rms 0.0236
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.0441
_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 4 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 PHE 1.209 0.072 3 0 "[ . 1 . 2]"
1 6 ASN 2.546 0.119 17 0 "[ . 1 . 2]"
1 7 LYS 0.292 0.042 7 0 "[ . 1 . 2]"
1 8 GLU 1.214 0.093 6 0 "[ . 1 . 2]"
1 9 GLN 0.823 0.057 8 0 "[ . 1 . 2]"
1 10 GLN 4.327 0.175 1 0 "[ . 1 . 2]"
1 11 ASN 2.072 0.097 11 0 "[ . 1 . 2]"
1 12 ALA 0.671 0.057 8 0 "[ . 1 . 2]"
1 13 PHE 16.900 0.804 18 6 "[ *. * 1 -* . + *]"
1 14 TYR 2.040 0.070 17 0 "[ . 1 . 2]"
1 15 GLU 2.182 0.125 10 0 "[ . 1 . 2]"
1 16 ILE 2.603 0.110 7 0 "[ . 1 . 2]"
1 17 LEU 0.549 0.046 17 0 "[ . 1 . 2]"
1 18 HIS 0.342 0.070 9 0 "[ . 1 . 2]"
1 19 LEU 1.515 0.077 13 0 "[ . 1 . 2]"
1 20 PRO 0.013 0.011 11 0 "[ . 1 . 2]"
1 21 ASN 1.145 0.090 5 0 "[ . 1 . 2]"
1 22 LEU 4.581 0.110 7 0 "[ . 1 . 2]"
1 23 THR 4.707 0.108 17 0 "[ . 1 . 2]"
1 24 GLU 0.952 0.082 18 0 "[ . 1 . 2]"
1 25 GLU 5.356 0.228 6 0 "[ . 1 . 2]"
1 26 GLN 7.740 0.228 6 0 "[ . 1 . 2]"
1 27 ARG 2.335 0.108 11 0 "[ . 1 . 2]"
1 28 ASN 5.993 0.170 4 0 "[ . 1 . 2]"
1 29 GLY 0.325 0.091 13 0 "[ . 1 . 2]"
1 30 PHE 5.422 0.119 19 0 "[ . 1 . 2]"
1 31 ILE 7.240 0.113 14 0 "[ . 1 . 2]"
1 32 GLN 9.183 0.249 10 0 "[ . 1 . 2]"
1 33 SER 2.988 0.249 10 0 "[ . 1 . 2]"
1 34 LEU 18.100 0.804 18 6 "[ *. * 1 -* . + *]"
1 35 LYS 3.709 0.126 16 0 "[ . 1 . 2]"
1 36 ASP 1.425 0.082 17 0 "[ . 1 . 2]"
1 37 ASP 1.479 0.157 15 0 "[ . 1 . 2]"
1 38 PRO 1.168 0.126 5 0 "[ . 1 . 2]"
1 39 SER 0.282 0.048 4 0 "[ . 1 . 2]"
1 40 VAL 2.181 0.087 9 0 "[ . 1 . 2]"
1 41 SER 0.238 0.048 4 0 "[ . 1 . 2]"
1 42 LYS 3.822 0.198 20 0 "[ . 1 . 2]"
1 43 GLU 2.543 0.101 5 0 "[ . 1 . 2]"
1 44 ILE 1.423 0.101 5 0 "[ . 1 . 2]"
1 45 LEU 8.368 0.782 15 2 "[* . 1 + 2]"
1 46 ALA 0.630 0.100 16 0 "[ . 1 . 2]"
1 47 GLU 8.206 0.155 16 0 "[ . 1 . 2]"
1 48 ALA 0.382 0.046 9 0 "[ . 1 . 2]"
1 49 LYS 10.376 0.782 15 2 "[* . 1 + 2]"
1 50 LYS 4.640 0.154 8 0 "[ . 1 . 2]"
1 51 LEU 4.098 0.111 6 0 "[ . 1 . 2]"
1 52 ASN 2.640 0.109 17 0 "[ . 1 . 2]"
1 53 ASP 2.290 0.154 8 0 "[ . 1 . 2]"
1 54 ALA 2.636 0.111 6 0 "[ . 1 . 2]"
1 55 GLN 6.246 0.216 8 0 "[ . 1 . 2]"
1 56 ALA 4.068 0.090 5 0 "[ . 1 . 2]"
1 57 PRO 1.896 0.068 3 0 "[ . 1 . 2]"
1 58 LYS 0.116 0.032 12 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 4 LYS HA 1 4 LYS QG . . 3.820 2.731 2.283 3.521 . 0 0 "[ . 1 . 2]" 1
2 1 4 LYS HA 1 5 PHE H . . 3.090 2.245 2.098 2.497 . 0 0 "[ . 1 . 2]" 1
3 1 4 LYS QB 1 5 PHE H . . 4.250 3.170 2.367 4.073 . 0 0 "[ . 1 . 2]" 1
4 1 4 LYS HB2 1 5 PHE H . . 4.900 3.846 2.491 4.666 . 0 0 "[ . 1 . 2]" 1
5 1 4 LYS HB3 1 5 PHE H . . 4.900 3.585 2.411 4.491 . 0 0 "[ . 1 . 2]" 1
6 1 4 LYS QG 1 5 PHE H . . 4.610 3.586 2.349 4.550 . 0 0 "[ . 1 . 2]" 1
7 1 5 PHE H 1 5 PHE HB2 . . 3.140 2.445 2.289 2.809 . 0 0 "[ . 1 . 2]" 1
8 1 5 PHE H 1 5 PHE HB3 . . 3.850 3.640 3.538 3.849 . 0 0 "[ . 1 . 2]" 1
9 1 5 PHE H 1 5 PHE QD . . 4.270 3.396 2.987 4.103 . 0 0 "[ . 1 . 2]" 1
10 1 5 PHE H 1 6 ASN H . . 4.560 4.578 4.479 4.625 0.065 18 0 "[ . 1 . 2]" 1
11 1 5 PHE HA 1 6 ASN H . . 2.970 2.329 2.141 2.689 . 0 0 "[ . 1 . 2]" 1
12 1 5 PHE HA 1 10 GLN H . . 5.260 5.072 4.688 5.294 0.034 11 0 "[ . 1 . 2]" 1
13 1 5 PHE HB2 1 10 GLN HA . . 4.300 3.638 2.670 4.311 0.011 1 0 "[ . 1 . 2]" 1
14 1 5 PHE HB2 1 10 GLN QB . . 4.120 2.268 2.086 2.623 . 0 0 "[ . 1 . 2]" 1
15 1 5 PHE HB2 1 10 GLN QG . . 4.220 4.175 3.851 4.259 0.039 15 0 "[ . 1 . 2]" 1
16 1 5 PHE HB3 1 9 GLN HB2 . . 4.140 2.557 2.228 3.160 . 0 0 "[ . 1 . 2]" 1
17 1 5 PHE HB3 1 9 GLN QB . . 3.560 2.381 2.109 2.923 . 0 0 "[ . 1 . 2]" 1
18 1 5 PHE HB3 1 9 GLN HB3 . . 4.140 2.875 2.328 3.591 . 0 0 "[ . 1 . 2]" 1
19 1 5 PHE HB3 1 10 GLN H . . 3.670 2.738 2.521 3.004 . 0 0 "[ . 1 . 2]" 1
20 1 5 PHE HB3 1 10 GLN HA . . 4.070 3.433 2.873 3.768 . 0 0 "[ . 1 . 2]" 1
21 1 5 PHE HB3 1 10 GLN QB . . 4.150 2.596 2.277 2.873 . 0 0 "[ . 1 . 2]" 1
22 1 5 PHE HB3 1 10 GLN QG . . 4.680 3.982 3.315 4.409 . 0 0 "[ . 1 . 2]" 1
23 1 5 PHE QD 1 6 ASN H . . 5.500 3.167 2.763 4.297 . 0 0 "[ . 1 . 2]" 1
24 1 5 PHE QD 1 10 GLN HA . . 4.590 3.385 2.300 4.007 . 0 0 "[ . 1 . 2]" 1
25 1 5 PHE QD 1 10 GLN QG . . 5.130 5.096 4.605 5.202 0.072 3 0 "[ . 1 . 2]" 1
26 1 6 ASN H 1 6 ASN HB2 . . 3.920 2.554 2.319 3.820 . 0 0 "[ . 1 . 2]" 1
27 1 6 ASN H 1 6 ASN QB . . 3.330 2.468 2.292 2.824 . 0 0 "[ . 1 . 2]" 1
28 1 6 ASN H 1 6 ASN HB3 . . 3.920 3.631 2.909 3.850 . 0 0 "[ . 1 . 2]" 1
29 1 6 ASN H 1 9 GLN HB2 . . 3.320 2.122 1.948 2.268 . 0 0 "[ . 1 . 2]" 1
30 1 6 ASN H 1 9 GLN QB . . 2.750 2.098 1.934 2.235 . 0 0 "[ . 1 . 2]" 1
31 1 6 ASN H 1 9 GLN HB3 . . 3.320 3.308 3.123 3.371 0.051 3 0 "[ . 1 . 2]" 1
32 1 6 ASN H 1 10 GLN H . . 3.720 3.693 3.081 3.786 0.066 19 0 "[ . 1 . 2]" 1
33 1 6 ASN H 1 10 GLN HA . . 5.500 5.492 4.800 5.619 0.119 17 0 "[ . 1 . 2]" 1
34 1 6 ASN HA 1 7 LYS QD . . 5.500 4.071 3.208 4.759 . 0 0 "[ . 1 . 2]" 1
35 1 6 ASN HA 1 10 GLN H . . 4.920 4.911 4.748 4.988 0.068 8 0 "[ . 1 . 2]" 1
36 1 6 ASN QB 1 6 ASN QD . . 3.010 2.230 2.114 2.342 . 0 0 "[ . 1 . 2]" 1
37 1 6 ASN QB 1 7 LYS H . . 3.560 2.511 2.209 2.695 . 0 0 "[ . 1 . 2]" 1
38 1 6 ASN QB 1 7 LYS QD . . 5.340 4.967 4.291 5.382 0.042 7 0 "[ . 1 . 2]" 1
39 1 6 ASN QB 1 8 GLU H . . 3.950 3.373 2.796 3.773 . 0 0 "[ . 1 . 2]" 1
40 1 6 ASN HB2 1 8 GLU H . . 4.590 4.013 3.443 4.434 . 0 0 "[ . 1 . 2]" 1
41 1 6 ASN HB3 1 8 GLU H . . 4.590 3.670 2.957 4.683 0.093 6 0 "[ . 1 . 2]" 1
42 1 6 ASN QD 1 9 GLN QE . . 3.960 3.315 2.693 3.965 0.005 7 0 "[ . 1 . 2]" 1
43 1 6 ASN QD 1 9 GLN QG . . 4.650 3.375 2.506 3.940 . 0 0 "[ . 1 . 2]" 1
44 1 7 LYS H 1 7 LYS QE . . 5.230 4.380 3.251 4.885 . 0 0 "[ . 1 . 2]" 1
45 1 7 LYS H 1 8 GLU H . . 3.030 2.978 2.785 3.071 0.041 1 0 "[ . 1 . 2]" 1
46 1 7 LYS H 1 10 GLN H . . 5.260 4.898 4.781 5.022 . 0 0 "[ . 1 . 2]" 1
47 1 7 LYS HA 1 7 LYS QD . . 4.750 2.289 2.042 2.965 . 0 0 "[ . 1 . 2]" 1
48 1 7 LYS HA 1 7 LYS HG2 . . 3.870 3.304 3.032 3.697 . 0 0 "[ . 1 . 2]" 1
49 1 7 LYS HA 1 7 LYS HG3 . . 3.870 3.371 2.320 3.831 . 0 0 "[ . 1 . 2]" 1
50 1 7 LYS HA 1 10 GLN H . . 4.600 3.813 3.512 4.097 . 0 0 "[ . 1 . 2]" 1
51 1 7 LYS QB 1 7 LYS QE . . 4.050 3.334 2.090 3.943 . 0 0 "[ . 1 . 2]" 1
52 1 7 LYS QB 1 10 GLN QG . . 4.480 4.089 3.771 4.426 . 0 0 "[ . 1 . 2]" 1
53 1 7 LYS QD 1 8 GLU H . . 5.500 4.867 4.342 5.249 . 0 0 "[ . 1 . 2]" 1
54 1 7 LYS QD 1 10 GLN QE . . 5.320 3.611 2.423 5.017 . 0 0 "[ . 1 . 2]" 1
55 1 7 LYS QD 1 10 GLN QG . . 4.390 3.725 3.123 4.428 0.038 18 0 "[ . 1 . 2]" 1
56 1 7 LYS QG 1 10 GLN QG . . 5.340 4.545 3.693 5.023 . 0 0 "[ . 1 . 2]" 1
57 1 8 GLU H 1 8 GLU HB2 . . 2.910 2.609 2.290 2.942 0.032 6 0 "[ . 1 . 2]" 1
58 1 8 GLU H 1 8 GLU HB3 . . 3.950 2.427 2.295 2.632 . 0 0 "[ . 1 . 2]" 1
59 1 8 GLU H 1 8 GLU QG . . 4.070 4.010 3.927 4.107 0.037 1 0 "[ . 1 . 2]" 1
60 1 8 GLU H 1 9 GLN H . . 2.950 2.563 2.213 2.845 . 0 0 "[ . 1 . 2]" 1
61 1 8 GLU H 1 10 GLN QG . . 5.140 4.535 4.159 4.849 . 0 0 "[ . 1 . 2]" 1
62 1 8 GLU HA 1 8 GLU QG . . 3.470 2.900 2.411 3.108 . 0 0 "[ . 1 . 2]" 1
63 1 8 GLU HA 1 10 GLN H . . 5.500 4.712 4.528 4.883 . 0 0 "[ . 1 . 2]" 1
64 1 8 GLU HA 1 11 ASN H . . 3.750 3.617 3.256 3.840 0.090 4 0 "[ . 1 . 2]" 1
65 1 8 GLU HA 1 11 ASN QB . . 3.390 2.643 2.174 3.137 . 0 0 "[ . 1 . 2]" 1
66 1 8 GLU HA 1 11 ASN QD . . 3.540 3.056 2.522 3.565 0.025 10 0 "[ . 1 . 2]" 1
67 1 8 GLU HB3 1 9 GLN H . . 3.520 2.785 2.624 2.961 . 0 0 "[ . 1 . 2]" 1
68 1 8 GLU HB3 1 9 GLN QG . . 4.300 3.957 3.448 4.312 0.012 11 0 "[ . 1 . 2]" 1
69 1 8 GLU HB3 1 10 GLN H . . 5.500 5.447 5.254 5.537 0.037 16 0 "[ . 1 . 2]" 1
70 1 8 GLU QG 1 9 GLN H . . 5.490 3.737 3.527 4.085 . 0 0 "[ . 1 . 2]" 1
71 1 8 GLU QG 1 38 PRO HA . . 5.500 5.212 4.830 5.577 0.077 5 0 "[ . 1 . 2]" 1
72 1 8 GLU QG 1 41 SER H . . 4.670 4.328 3.958 4.672 0.002 11 0 "[ . 1 . 2]" 1
73 1 8 GLU QG 1 41 SER QB . . 4.060 2.410 2.081 2.869 . 0 0 "[ . 1 . 2]" 1
74 1 8 GLU QG 1 42 LYS H . . 5.500 4.743 4.264 5.173 . 0 0 "[ . 1 . 2]" 1
75 1 8 GLU QG 1 42 LYS QD . . 4.910 4.477 3.705 4.925 0.015 10 0 "[ . 1 . 2]" 1
76 1 8 GLU QG 1 42 LYS QG . . 5.340 4.519 3.911 5.077 . 0 0 "[ . 1 . 2]" 1
77 1 9 GLN H 1 9 GLN QB . . 3.170 2.362 2.275 2.455 . 0 0 "[ . 1 . 2]" 1
78 1 9 GLN H 1 9 GLN QG . . 3.070 2.593 2.390 2.835 . 0 0 "[ . 1 . 2]" 1
79 1 9 GLN H 1 12 ALA H . . 4.930 4.908 4.735 4.987 0.057 8 0 "[ . 1 . 2]" 1
80 1 9 GLN HA 1 9 GLN HG2 . . 3.730 2.482 2.354 2.603 . 0 0 "[ . 1 . 2]" 1
81 1 9 GLN HA 1 9 GLN HG3 . . 3.730 3.007 2.871 3.176 . 0 0 "[ . 1 . 2]" 1
82 1 9 GLN HA 1 12 ALA H . . 3.750 3.673 3.466 3.770 0.020 4 0 "[ . 1 . 2]" 1
83 1 9 GLN HA 1 12 ALA MB . . 3.310 2.925 2.724 3.114 . 0 0 "[ . 1 . 2]" 1
84 1 9 GLN HA 1 34 LEU QD . . 4.010 2.504 2.037 3.281 . 0 0 "[ . 1 . 2]" 1
85 1 9 GLN HA 1 38 PRO HB2 . . 4.840 4.762 4.297 4.878 0.038 15 0 "[ . 1 . 2]" 1
86 1 9 GLN HA 1 38 PRO QB . . 4.190 4.062 3.628 4.213 0.023 17 0 "[ . 1 . 2]" 1
87 1 9 GLN HA 1 38 PRO HB3 . . 4.840 4.420 3.742 4.717 . 0 0 "[ . 1 . 2]" 1
88 1 9 GLN QB 1 10 GLN H . . 2.770 2.411 2.298 2.525 . 0 0 "[ . 1 . 2]" 1
89 1 9 GLN QB 1 34 LEU QD . . 5.210 3.425 2.717 4.182 . 0 0 "[ . 1 . 2]" 1
90 1 9 GLN QE 1 9 GLN QG . . 3.050 2.226 2.185 2.294 . 0 0 "[ . 1 . 2]" 1
91 1 9 GLN QE 1 35 LYS HA . . 4.000 2.833 2.175 3.714 . 0 0 "[ . 1 . 2]" 1
92 1 9 GLN QE 1 38 PRO QB . . 3.720 2.152 1.836 2.668 . 0 0 "[ . 1 . 2]" 1
93 1 9 GLN QE 1 38 PRO QG . . 3.860 2.649 1.920 3.279 . 0 0 "[ . 1 . 2]" 1
94 1 9 GLN HE21 1 35 LYS HA . . 4.690 3.045 2.392 3.892 . 0 0 "[ . 1 . 2]" 1
95 1 9 GLN HE22 1 35 LYS HA . . 4.690 3.419 2.499 4.711 0.021 2 0 "[ . 1 . 2]" 1
96 1 9 GLN QG 1 38 PRO QB . . 4.230 2.104 1.953 2.275 . 0 0 "[ . 1 . 2]" 1
97 1 10 GLN H 1 10 GLN QB . . 3.050 2.500 2.283 2.759 . 0 0 "[ . 1 . 2]" 1
98 1 10 GLN H 1 10 GLN QG . . 3.270 2.302 2.104 2.654 . 0 0 "[ . 1 . 2]" 1
99 1 10 GLN H 1 11 ASN H . . 3.110 2.801 2.674 2.964 . 0 0 "[ . 1 . 2]" 1
100 1 10 GLN H 1 12 ALA H . . 4.810 4.619 4.433 4.815 0.005 11 0 "[ . 1 . 2]" 1
101 1 10 GLN H 1 13 PHE H . . 4.910 4.821 4.727 4.930 0.020 6 0 "[ . 1 . 2]" 1
102 1 10 GLN H 1 13 PHE QB . . 5.000 4.458 4.290 4.689 . 0 0 "[ . 1 . 2]" 1
103 1 10 GLN HA 1 10 GLN QE . . 5.340 4.792 4.198 5.432 0.092 11 0 "[ . 1 . 2]" 1
104 1 10 GLN HA 1 10 GLN QG . . 3.500 3.383 3.324 3.432 . 0 0 "[ . 1 . 2]" 1
105 1 10 GLN HA 1 11 ASN H . . 3.540 3.515 3.431 3.560 0.020 15 0 "[ . 1 . 2]" 1
106 1 10 GLN HA 1 11 ASN HA . . 5.420 4.889 4.810 4.938 . 0 0 "[ . 1 . 2]" 1
107 1 10 GLN HA 1 13 PHE H . . 3.750 3.499 3.256 3.702 . 0 0 "[ . 1 . 2]" 1
108 1 10 GLN HA 1 13 PHE HB2 . . 3.990 3.416 3.208 3.775 . 0 0 "[ . 1 . 2]" 1
109 1 10 GLN HA 1 13 PHE QB . . 3.400 2.346 2.114 2.699 . 0 0 "[ . 1 . 2]" 1
110 1 10 GLN HA 1 13 PHE HB3 . . 3.990 2.392 2.139 2.765 . 0 0 "[ . 1 . 2]" 1
111 1 10 GLN HA 1 13 PHE QD . . 4.560 3.626 3.217 4.217 . 0 0 "[ . 1 . 2]" 1
112 1 10 GLN HA 1 34 LEU QD . . 5.440 5.219 4.692 5.615 0.175 1 0 "[ . 1 . 2]" 1
113 1 10 GLN QB 1 11 ASN H . . 3.540 3.587 3.538 3.637 0.097 11 0 "[ . 1 . 2]" 1
114 1 10 GLN QB 1 14 TYR H . . 4.920 4.575 4.225 4.925 0.005 3 0 "[ . 1 . 2]" 1
115 1 10 GLN QG 1 11 ASN H . . 4.360 2.448 2.272 2.580 . 0 0 "[ . 1 . 2]" 1
116 1 10 GLN QG 1 11 ASN QB . . 4.280 3.702 3.296 4.213 . 0 0 "[ . 1 . 2]" 1
117 1 10 GLN QG 1 12 ALA H . . 5.500 4.954 4.588 5.143 . 0 0 "[ . 1 . 2]" 1
118 1 10 GLN QG 1 14 TYR H . . 5.500 5.360 5.112 5.542 0.042 20 0 "[ . 1 . 2]" 1
119 1 11 ASN H 1 11 ASN QB . . 2.690 2.267 2.072 2.449 . 0 0 "[ . 1 . 2]" 1
120 1 11 ASN H 1 11 ASN QD . . 4.460 4.073 3.655 4.438 . 0 0 "[ . 1 . 2]" 1
121 1 11 ASN H 1 12 ALA H . . 3.040 2.880 2.649 3.023 . 0 0 "[ . 1 . 2]" 1
122 1 11 ASN H 1 12 ALA MB . . 4.690 4.442 4.219 4.583 . 0 0 "[ . 1 . 2]" 1
123 1 11 ASN H 1 13 PHE H . . 3.960 3.965 3.906 3.993 0.033 13 0 "[ . 1 . 2]" 1
124 1 11 ASN H 1 14 TYR H . . 4.940 4.877 4.766 4.948 0.008 18 0 "[ . 1 . 2]" 1
125 1 11 ASN HA 1 12 ALA MB . . 5.500 4.998 4.927 5.033 . 0 0 "[ . 1 . 2]" 1
126 1 11 ASN HA 1 13 PHE H . . 4.810 4.271 4.162 4.412 . 0 0 "[ . 1 . 2]" 1
127 1 11 ASN HA 1 14 TYR H . . 4.040 3.922 3.616 4.077 0.037 6 0 "[ . 1 . 2]" 1
128 1 11 ASN HA 1 14 TYR HB2 . . 5.070 4.770 4.079 5.077 0.007 16 0 "[ . 1 . 2]" 1
129 1 11 ASN HA 1 14 TYR HB3 . . 4.190 3.113 2.510 3.421 . 0 0 "[ . 1 . 2]" 1
130 1 11 ASN HA 1 14 TYR QD . . 5.500 3.112 2.532 3.656 . 0 0 "[ . 1 . 2]" 1
131 1 11 ASN HA 1 15 GLU H . . 4.480 3.975 3.785 4.144 . 0 0 "[ . 1 . 2]" 1
132 1 11 ASN HA 1 45 LEU QD . . 5.440 5.129 5.028 5.226 . 0 0 "[ . 1 . 2]" 1
133 1 11 ASN QB 1 12 ALA H . . 3.090 2.472 2.341 2.847 . 0 0 "[ . 1 . 2]" 1
134 1 11 ASN QB 1 13 PHE H . . 4.770 4.545 4.386 4.709 . 0 0 "[ . 1 . 2]" 1
135 1 11 ASN QD 1 12 ALA H . . 4.740 4.003 2.442 4.732 . 0 0 "[ . 1 . 2]" 1
136 1 11 ASN QD 1 12 ALA MB . . 5.340 4.526 2.792 5.393 0.053 15 0 "[ . 1 . 2]" 1
137 1 12 ALA H 1 12 ALA MB . . 2.670 2.167 2.129 2.206 . 0 0 "[ . 1 . 2]" 1
138 1 12 ALA H 1 13 PHE H . . 3.010 2.717 2.593 2.814 . 0 0 "[ . 1 . 2]" 1
139 1 12 ALA H 1 15 GLU H . . 5.100 4.856 4.747 4.989 . 0 0 "[ . 1 . 2]" 1
140 1 12 ALA H 1 15 GLU HB2 . . 5.000 4.788 4.644 4.968 . 0 0 "[ . 1 . 2]" 1
141 1 12 ALA H 1 15 GLU QG . . 5.340 4.778 4.491 5.034 . 0 0 "[ . 1 . 2]" 1
142 1 12 ALA H 1 45 LEU QD . . 4.320 3.735 3.589 3.933 . 0 0 "[ . 1 . 2]" 1
143 1 12 ALA HA 1 14 TYR H . . 5.110 4.945 4.859 5.033 . 0 0 "[ . 1 . 2]" 1
144 1 12 ALA HA 1 15 GLU H . . 3.980 3.589 3.452 3.689 . 0 0 "[ . 1 . 2]" 1
145 1 12 ALA HA 1 15 GLU HB2 . . 3.730 2.425 2.295 2.589 . 0 0 "[ . 1 . 2]" 1
146 1 12 ALA HA 1 15 GLU HB3 . . 3.990 3.858 3.638 4.008 0.018 9 0 "[ . 1 . 2]" 1
147 1 12 ALA HA 1 45 LEU MD1 . . 3.820 2.158 1.997 2.317 . 0 0 "[ . 1 . 2]" 1
148 1 12 ALA HA 1 45 LEU QD . . 2.990 1.971 1.897 2.112 . 0 0 "[ . 1 . 2]" 1
149 1 12 ALA HA 1 45 LEU MD2 . . 3.820 2.298 2.058 2.517 . 0 0 "[ . 1 . 2]" 1
150 1 12 ALA HA 1 45 LEU HG . . 4.580 3.087 2.920 3.834 . 0 0 "[ . 1 . 2]" 1
151 1 12 ALA MB 1 13 PHE H . . 3.020 2.803 2.657 2.992 . 0 0 "[ . 1 . 2]" 1
152 1 12 ALA MB 1 13 PHE QB . . 5.340 3.868 3.725 4.037 . 0 0 "[ . 1 . 2]" 1
153 1 12 ALA MB 1 13 PHE QD . . 5.500 5.318 4.949 5.473 . 0 0 "[ . 1 . 2]" 1
154 1 12 ALA MB 1 16 ILE H . . 5.500 4.644 4.484 5.244 . 0 0 "[ . 1 . 2]" 1
155 1 12 ALA MB 1 16 ILE MD . . 3.720 2.997 2.653 3.724 0.004 15 0 "[ . 1 . 2]" 1
156 1 12 ALA MB 1 34 LEU MD1 . . 3.640 2.478 2.194 2.771 . 0 0 "[ . 1 . 2]" 1
157 1 12 ALA MB 1 34 LEU QD . . 3.090 1.994 1.875 2.187 . 0 0 "[ . 1 . 2]" 1
158 1 12 ALA MB 1 34 LEU MD2 . . 3.640 2.112 1.977 2.290 . 0 0 "[ . 1 . 2]" 1
159 1 12 ALA MB 1 41 SER HA . . 4.340 3.482 3.044 3.782 . 0 0 "[ . 1 . 2]" 1
160 1 12 ALA MB 1 41 SER HB2 . . 3.950 2.806 2.113 3.903 . 0 0 "[ . 1 . 2]" 1
161 1 12 ALA MB 1 41 SER QB . . 3.380 2.351 2.072 2.718 . 0 0 "[ . 1 . 2]" 1
162 1 12 ALA MB 1 41 SER HB3 . . 3.950 3.152 2.122 3.918 . 0 0 "[ . 1 . 2]" 1
163 1 12 ALA MB 1 44 ILE MG . . 4.480 3.974 3.387 4.424 . 0 0 "[ . 1 . 2]" 1
164 1 12 ALA MB 1 45 LEU H . . 5.500 4.138 3.857 4.552 . 0 0 "[ . 1 . 2]" 1
165 1 12 ALA MB 1 45 LEU HB2 . . 4.570 4.195 3.937 4.581 0.011 15 0 "[ . 1 . 2]" 1
166 1 12 ALA MB 1 45 LEU QD . . 3.050 2.275 2.070 2.414 . 0 0 "[ . 1 . 2]" 1
167 1 13 PHE H 1 13 PHE HB2 . . 2.910 2.562 2.370 2.688 . 0 0 "[ . 1 . 2]" 1
168 1 13 PHE H 1 13 PHE HB3 . . 2.910 2.362 2.256 2.501 . 0 0 "[ . 1 . 2]" 1
169 1 13 PHE H 1 13 PHE QD . . 4.180 4.162 4.107 4.186 0.006 11 0 "[ . 1 . 2]" 1
170 1 13 PHE H 1 14 TYR H . . 3.120 2.725 2.612 2.835 . 0 0 "[ . 1 . 2]" 1
171 1 13 PHE H 1 14 TYR HB3 . . 4.670 4.447 4.254 4.554 . 0 0 "[ . 1 . 2]" 1
172 1 13 PHE H 1 14 TYR QD . . 5.500 5.514 5.399 5.570 0.070 17 0 "[ . 1 . 2]" 1
173 1 13 PHE H 1 15 GLU H . . 4.010 3.928 3.748 4.006 . 0 0 "[ . 1 . 2]" 1
174 1 13 PHE H 1 15 GLU HB2 . . 4.590 4.663 4.622 4.715 0.125 10 0 "[ . 1 . 2]" 1
175 1 13 PHE H 1 34 LEU QD . . 3.940 3.590 2.828 4.279 0.339 17 0 "[ . 1 . 2]" 1
176 1 13 PHE H 1 45 LEU QD . . 5.440 4.529 4.240 4.709 . 0 0 "[ . 1 . 2]" 1
177 1 13 PHE HA 1 13 PHE QD . . 4.070 2.820 2.451 3.089 . 0 0 "[ . 1 . 2]" 1
178 1 13 PHE HA 1 16 ILE H . . 4.390 3.708 3.538 3.952 . 0 0 "[ . 1 . 2]" 1
179 1 13 PHE HA 1 16 ILE HB . . 3.920 3.098 2.750 3.505 . 0 0 "[ . 1 . 2]" 1
180 1 13 PHE HA 1 16 ILE MD . . 4.070 3.209 2.652 3.669 . 0 0 "[ . 1 . 2]" 1
181 1 13 PHE HA 1 17 LEU H . . 4.630 4.245 4.036 4.545 . 0 0 "[ . 1 . 2]" 1
182 1 13 PHE HA 1 31 ILE MD . . 4.970 4.004 3.491 4.690 . 0 0 "[ . 1 . 2]" 1
183 1 13 PHE HA 1 31 ILE HG12 . . 5.500 3.404 3.143 3.913 . 0 0 "[ . 1 . 2]" 1
184 1 13 PHE HA 1 34 LEU QD . . 4.190 3.595 2.333 4.633 0.443 1 0 "[ . 1 . 2]" 1
185 1 13 PHE HA 1 34 LEU HG . . 4.780 4.506 3.864 4.925 0.145 2 0 "[ . 1 . 2]" 1
186 1 13 PHE QB 1 14 TYR H . . 3.250 2.310 2.273 2.354 . 0 0 "[ . 1 . 2]" 1
187 1 13 PHE QB 1 34 LEU QD . . 3.790 3.344 2.439 4.102 0.312 18 0 "[ . 1 . 2]" 1
188 1 13 PHE HB2 1 14 TYR H . . 3.710 3.747 3.692 3.779 0.069 4 0 "[ . 1 . 2]" 1
189 1 13 PHE HB3 1 14 TYR H . . 3.710 2.332 2.293 2.378 . 0 0 "[ . 1 . 2]" 1
190 1 13 PHE QD 1 14 TYR H . . 4.200 3.044 2.788 3.488 . 0 0 "[ . 1 . 2]" 1
191 1 13 PHE QD 1 31 ILE MD . . 4.500 3.254 2.701 4.391 . 0 0 "[ . 1 . 2]" 1
192 1 13 PHE QD 1 31 ILE MG . . 4.110 2.355 2.211 2.656 . 0 0 "[ . 1 . 2]" 1
193 1 13 PHE QD 1 34 LEU MD1 . . 5.500 5.229 4.507 5.575 0.075 5 0 "[ . 1 . 2]" 1
194 1 13 PHE QD 1 34 LEU QD . . 4.080 3.939 2.883 4.884 0.804 18 6 "[ *. * 1 -* . + *]" 1
195 1 13 PHE QD 1 34 LEU MD2 . . 5.500 4.450 2.893 5.553 0.053 13 0 "[ . 1 . 2]" 1
196 1 13 PHE QE 1 17 LEU MD1 . . 4.520 2.620 2.302 2.877 . 0 0 "[ . 1 . 2]" 1
197 1 13 PHE QE 1 17 LEU MD2 . . 4.520 4.223 3.717 4.492 . 0 0 "[ . 1 . 2]" 1
198 1 13 PHE QE 1 31 ILE MD . . 4.330 2.751 2.274 4.032 . 0 0 "[ . 1 . 2]" 1
199 1 13 PHE QE 1 31 ILE HG12 . . 5.500 4.147 3.810 4.649 . 0 0 "[ . 1 . 2]" 1
200 1 13 PHE QE 1 31 ILE MG . . 3.160 2.225 2.062 2.389 . 0 0 "[ . 1 . 2]" 1
201 1 14 TYR H 1 14 TYR HB2 . . 3.080 2.881 2.729 3.001 . 0 0 "[ . 1 . 2]" 1
202 1 14 TYR H 1 14 TYR HB3 . . 3.470 2.184 2.111 2.251 . 0 0 "[ . 1 . 2]" 1
203 1 14 TYR H 1 14 TYR QD . . 4.020 3.906 3.824 4.020 . 0 0 "[ . 1 . 2]" 1
204 1 14 TYR H 1 15 GLU H . . 3.070 2.907 2.840 3.019 . 0 0 "[ . 1 . 2]" 1
205 1 14 TYR H 1 15 GLU HB2 . . 5.310 4.781 4.695 4.888 . 0 0 "[ . 1 . 2]" 1
206 1 14 TYR H 1 15 GLU QG . . 5.340 4.884 4.575 5.226 . 0 0 "[ . 1 . 2]" 1
207 1 14 TYR H 1 17 LEU HB2 . . 4.760 4.778 4.693 4.806 0.046 17 0 "[ . 1 . 2]" 1
208 1 14 TYR HA 1 14 TYR QD . . 3.690 3.155 3.013 3.390 . 0 0 "[ . 1 . 2]" 1
209 1 14 TYR HA 1 17 LEU H . . 3.700 3.496 3.282 3.701 0.001 10 0 "[ . 1 . 2]" 1
210 1 14 TYR HA 1 17 LEU HB2 . . 3.860 2.388 2.251 2.569 . 0 0 "[ . 1 . 2]" 1
211 1 14 TYR HA 1 17 LEU HB3 . . 4.250 3.841 3.747 3.976 . 0 0 "[ . 1 . 2]" 1
212 1 14 TYR HA 1 17 LEU QD . . 3.950 2.584 2.338 2.944 . 0 0 "[ . 1 . 2]" 1
213 1 14 TYR HB3 1 15 GLU H . . 3.060 2.994 2.881 3.062 0.002 3 0 "[ . 1 . 2]" 1
214 1 14 TYR QD 1 15 GLU H . . 4.120 2.760 2.596 2.981 . 0 0 "[ . 1 . 2]" 1
215 1 14 TYR QD 1 15 GLU HA . . 4.740 3.620 3.216 4.002 . 0 0 "[ . 1 . 2]" 1
216 1 14 TYR QD 1 15 GLU HB3 . . 5.500 5.002 4.800 5.222 . 0 0 "[ . 1 . 2]" 1
217 1 14 TYR QD 1 15 GLU QG . . 5.040 2.399 2.256 2.589 . 0 0 "[ . 1 . 2]" 1
218 1 14 TYR QD 1 17 LEU HB3 . . 5.500 5.158 4.676 5.521 0.021 3 0 "[ . 1 . 2]" 1
219 1 14 TYR QD 1 17 LEU QD . . 4.930 4.406 4.052 4.722 . 0 0 "[ . 1 . 2]" 1
220 1 15 GLU H 1 15 GLU HB2 . . 2.770 2.199 2.080 2.301 . 0 0 "[ . 1 . 2]" 1
221 1 15 GLU H 1 15 GLU HB3 . . 3.840 3.511 3.439 3.555 . 0 0 "[ . 1 . 2]" 1
222 1 15 GLU H 1 15 GLU HG2 . . 4.250 2.620 2.393 2.938 . 0 0 "[ . 1 . 2]" 1
223 1 15 GLU H 1 15 GLU QG . . 3.390 2.566 2.361 2.835 . 0 0 "[ . 1 . 2]" 1
224 1 15 GLU H 1 15 GLU HG3 . . 4.250 3.688 3.556 3.847 . 0 0 "[ . 1 . 2]" 1
225 1 15 GLU HA 1 15 GLU HG2 . . 3.950 2.819 2.525 2.960 . 0 0 "[ . 1 . 2]" 1
226 1 15 GLU HA 1 15 GLU HG3 . . 3.950 3.723 3.640 3.770 . 0 0 "[ . 1 . 2]" 1
227 1 15 GLU HA 1 18 HIS H . . 3.740 3.406 3.164 3.751 0.011 15 0 "[ . 1 . 2]" 1
228 1 15 GLU HA 1 18 HIS QB . . 4.050 2.614 2.130 3.268 . 0 0 "[ . 1 . 2]" 1
229 1 15 GLU HA 1 45 LEU QD . . 4.870 4.178 4.003 4.460 . 0 0 "[ . 1 . 2]" 1
230 1 15 GLU HB2 1 16 ILE H . . 3.290 2.767 2.518 2.951 . 0 0 "[ . 1 . 2]" 1
231 1 15 GLU HB2 1 16 ILE HB . . 5.030 4.843 4.630 5.071 0.041 16 0 "[ . 1 . 2]" 1
232 1 15 GLU HB2 1 45 LEU MD1 . . 4.040 3.317 2.423 3.609 . 0 0 "[ . 1 . 2]" 1
233 1 15 GLU HB2 1 45 LEU QD . . 3.250 2.135 2.079 2.315 . 0 0 "[ . 1 . 2]" 1
234 1 15 GLU HB2 1 45 LEU MD2 . . 4.040 2.190 2.103 2.940 . 0 0 "[ . 1 . 2]" 1
235 1 15 GLU HB3 1 16 ILE H . . 3.400 3.390 3.217 3.450 0.050 16 0 "[ . 1 . 2]" 1
236 1 15 GLU HB3 1 45 LEU MD1 . . 3.980 3.731 2.800 4.000 0.020 6 0 "[ . 1 . 2]" 1
237 1 15 GLU HB3 1 45 LEU QD . . 3.260 2.241 2.057 2.759 . 0 0 "[ . 1 . 2]" 1
238 1 15 GLU HB3 1 45 LEU MD2 . . 3.980 2.277 2.068 3.155 . 0 0 "[ . 1 . 2]" 1
239 1 15 GLU QG 1 16 ILE H . . 5.340 4.373 4.193 4.524 . 0 0 "[ . 1 . 2]" 1
240 1 15 GLU QG 1 45 LEU QD . . 3.450 2.713 2.158 2.907 . 0 0 "[ . 1 . 2]" 1
241 1 15 GLU HG2 1 45 LEU MD1 . . 4.510 4.487 3.964 4.538 0.028 16 0 "[ . 1 . 2]" 1
242 1 15 GLU HG2 1 45 LEU MD2 . . 4.510 4.051 3.749 4.283 . 0 0 "[ . 1 . 2]" 1
243 1 15 GLU HG3 1 45 LEU MD1 . . 4.510 3.269 2.585 3.473 . 0 0 "[ . 1 . 2]" 1
244 1 15 GLU HG3 1 45 LEU MD2 . . 4.510 3.070 2.198 3.446 . 0 0 "[ . 1 . 2]" 1
245 1 16 ILE H 1 16 ILE HB . . 2.730 2.277 2.150 2.364 . 0 0 "[ . 1 . 2]" 1
246 1 16 ILE H 1 16 ILE MD . . 3.620 3.414 3.254 3.562 . 0 0 "[ . 1 . 2]" 1
247 1 16 ILE H 1 16 ILE QG . . 2.670 2.389 2.233 2.679 0.009 20 0 "[ . 1 . 2]" 1
248 1 16 ILE H 1 16 ILE MG . . 4.430 3.709 3.630 3.760 . 0 0 "[ . 1 . 2]" 1
249 1 16 ILE H 1 17 LEU H . . 3.130 2.660 2.480 2.711 . 0 0 "[ . 1 . 2]" 1
250 1 16 ILE H 1 17 LEU HB2 . . 4.640 4.530 4.461 4.641 0.001 6 0 "[ . 1 . 2]" 1
251 1 16 ILE H 1 18 HIS H . . 4.470 4.018 3.880 4.182 . 0 0 "[ . 1 . 2]" 1
252 1 16 ILE H 1 19 LEU HG . . 5.500 5.112 4.774 5.261 . 0 0 "[ . 1 . 2]" 1
253 1 16 ILE H 1 22 LEU MD2 . . 5.500 5.574 5.508 5.610 0.110 7 0 "[ . 1 . 2]" 1
254 1 16 ILE H 1 31 ILE HG12 . . 5.500 5.470 5.068 5.570 0.070 14 0 "[ . 1 . 2]" 1
255 1 16 ILE H 1 45 LEU QD . . 4.440 3.183 2.955 3.658 . 0 0 "[ . 1 . 2]" 1
256 1 16 ILE HA 1 16 ILE MD . . 3.940 3.855 3.807 3.923 . 0 0 "[ . 1 . 2]" 1
257 1 16 ILE HA 1 16 ILE HG12 . . 3.470 2.564 2.411 2.768 . 0 0 "[ . 1 . 2]" 1
258 1 16 ILE HA 1 16 ILE QG . . 3.030 2.341 2.250 2.490 . 0 0 "[ . 1 . 2]" 1
259 1 16 ILE HA 1 16 ILE HG13 . . 3.470 2.722 2.448 2.857 . 0 0 "[ . 1 . 2]" 1
260 1 16 ILE HA 1 16 ILE MG . . 3.290 2.560 2.469 2.660 . 0 0 "[ . 1 . 2]" 1
261 1 16 ILE HA 1 18 HIS H . . 4.430 4.014 3.776 4.183 . 0 0 "[ . 1 . 2]" 1
262 1 16 ILE HA 1 19 LEU H . . 4.530 3.598 3.212 3.975 . 0 0 "[ . 1 . 2]" 1
263 1 16 ILE HA 1 19 LEU MD1 . . 3.180 2.194 2.130 2.281 . 0 0 "[ . 1 . 2]" 1
264 1 16 ILE HA 1 19 LEU MD2 . . 4.470 4.386 4.063 4.489 0.019 1 0 "[ . 1 . 2]" 1
265 1 16 ILE HA 1 19 LEU HG . . 3.400 3.048 2.513 3.336 . 0 0 "[ . 1 . 2]" 1
266 1 16 ILE HA 1 22 LEU MD2 . . 4.790 3.379 3.275 3.459 . 0 0 "[ . 1 . 2]" 1
267 1 16 ILE HA 1 45 LEU QD . . 4.770 3.777 3.479 4.601 . 0 0 "[ . 1 . 2]" 1
268 1 16 ILE HB 1 16 ILE MD . . 3.540 2.364 2.230 2.435 . 0 0 "[ . 1 . 2]" 1
269 1 16 ILE HB 1 17 LEU H . . 3.190 2.866 2.702 3.054 . 0 0 "[ . 1 . 2]" 1
270 1 16 ILE HB 1 31 ILE MD . . 4.140 3.524 3.115 3.740 . 0 0 "[ . 1 . 2]" 1
271 1 16 ILE MD 1 16 ILE MG . . 3.040 2.143 2.103 2.202 . 0 0 "[ . 1 . 2]" 1
272 1 16 ILE MD 1 30 PHE H . . 5.110 4.745 4.589 4.882 . 0 0 "[ . 1 . 2]" 1
273 1 16 ILE MD 1 30 PHE QB . . 3.390 2.163 2.065 2.282 . 0 0 "[ . 1 . 2]" 1
274 1 16 ILE MD 1 30 PHE QD . . 4.470 3.661 3.381 3.906 . 0 0 "[ . 1 . 2]" 1
275 1 16 ILE MD 1 44 ILE H . . 5.500 5.399 5.076 5.539 0.039 20 0 "[ . 1 . 2]" 1
276 1 16 ILE MD 1 44 ILE MG . . 3.090 2.205 1.981 2.503 . 0 0 "[ . 1 . 2]" 1
277 1 16 ILE MD 1 45 LEU H . . 4.760 3.849 3.467 4.201 . 0 0 "[ . 1 . 2]" 1
278 1 16 ILE MD 1 45 LEU HA . . 3.510 2.749 2.305 3.534 0.024 15 0 "[ . 1 . 2]" 1
279 1 16 ILE MD 1 45 LEU QD . . 4.350 2.806 2.193 3.064 . 0 0 "[ . 1 . 2]" 1
280 1 16 ILE QG 1 30 PHE QB . . 4.710 3.476 3.012 4.071 . 0 0 "[ . 1 . 2]" 1
281 1 16 ILE QG 1 45 LEU HA . . 4.150 2.967 2.755 3.152 . 0 0 "[ . 1 . 2]" 1
282 1 16 ILE QG 1 45 LEU QD . . 3.190 2.152 2.038 2.415 . 0 0 "[ . 1 . 2]" 1
283 1 16 ILE QG 1 48 ALA MB . . 3.890 2.111 2.047 2.219 . 0 0 "[ . 1 . 2]" 1
284 1 16 ILE MG 1 17 LEU H . . 3.770 3.365 3.139 3.586 . 0 0 "[ . 1 . 2]" 1
285 1 16 ILE MG 1 17 LEU HA . . 4.440 3.673 3.435 3.890 . 0 0 "[ . 1 . 2]" 1
286 1 16 ILE MG 1 18 HIS H . . 5.110 4.913 4.767 5.096 . 0 0 "[ . 1 . 2]" 1
287 1 16 ILE MG 1 19 LEU HB2 . . 4.530 4.082 3.699 4.331 . 0 0 "[ . 1 . 2]" 1
288 1 16 ILE MG 1 27 ARG HA . . 3.390 2.867 2.669 3.045 . 0 0 "[ . 1 . 2]" 1
289 1 16 ILE MG 1 27 ARG HG2 . . 3.410 2.359 2.147 2.941 . 0 0 "[ . 1 . 2]" 1
290 1 16 ILE MG 1 27 ARG HG3 . . 3.950 2.335 2.069 3.356 . 0 0 "[ . 1 . 2]" 1
291 1 16 ILE MG 1 30 PHE H . . 4.390 4.228 4.007 4.396 0.006 19 0 "[ . 1 . 2]" 1
292 1 16 ILE MG 1 30 PHE QB . . 3.300 2.466 2.148 2.808 . 0 0 "[ . 1 . 2]" 1
293 1 16 ILE MG 1 30 PHE QD . . 4.070 2.620 2.431 2.867 . 0 0 "[ . 1 . 2]" 1
294 1 16 ILE MG 1 31 ILE H . . 4.820 3.335 3.089 3.677 . 0 0 "[ . 1 . 2]" 1
295 1 16 ILE MG 1 31 ILE HG12 . . 3.770 2.945 2.787 3.305 . 0 0 "[ . 1 . 2]" 1
296 1 16 ILE MG 1 31 ILE HG13 . . 3.870 2.327 2.175 2.652 . 0 0 "[ . 1 . 2]" 1
297 1 16 ILE MG 1 48 ALA MB . . 3.490 2.570 2.273 2.980 . 0 0 "[ . 1 . 2]" 1
298 1 17 LEU H 1 17 LEU HB2 . . 2.850 2.211 2.151 2.349 . 0 0 "[ . 1 . 2]" 1
299 1 17 LEU H 1 17 LEU HB3 . . 3.580 3.518 3.483 3.572 . 0 0 "[ . 1 . 2]" 1
300 1 17 LEU H 1 17 LEU QD . . 4.460 3.250 3.168 3.325 . 0 0 "[ . 1 . 2]" 1
301 1 17 LEU H 1 17 LEU HG . . 3.110 2.772 2.534 2.919 . 0 0 "[ . 1 . 2]" 1
302 1 17 LEU H 1 18 HIS H . . 3.150 2.742 2.589 2.869 . 0 0 "[ . 1 . 2]" 1
303 1 17 LEU H 1 19 LEU H . . 4.670 4.419 4.164 4.533 . 0 0 "[ . 1 . 2]" 1
304 1 17 LEU H 1 31 ILE HG12 . . 5.500 5.222 4.270 5.509 0.009 19 0 "[ . 1 . 2]" 1
305 1 17 LEU HA 1 17 LEU MD1 . . 4.100 3.837 3.800 3.861 . 0 0 "[ . 1 . 2]" 1
306 1 17 LEU HA 1 17 LEU QD . . 3.030 2.179 2.108 2.294 . 0 0 "[ . 1 . 2]" 1
307 1 17 LEU HA 1 17 LEU MD2 . . 4.100 2.191 2.118 2.312 . 0 0 "[ . 1 . 2]" 1
308 1 17 LEU HA 1 17 LEU HG . . 4.030 2.684 2.537 3.030 . 0 0 "[ . 1 . 2]" 1
309 1 17 LEU HA 1 19 LEU H . . 4.720 4.028 3.790 4.513 . 0 0 "[ . 1 . 2]" 1
310 1 17 LEU HA 1 27 ARG HD2 . . 4.000 3.008 2.172 3.901 . 0 0 "[ . 1 . 2]" 1
311 1 17 LEU HA 1 27 ARG QD . . 3.310 2.175 1.889 2.963 . 0 0 "[ . 1 . 2]" 1
312 1 17 LEU HA 1 27 ARG HD3 . . 4.000 2.632 1.898 3.900 . 0 0 "[ . 1 . 2]" 1
313 1 17 LEU HA 1 27 ARG HG2 . . 4.370 4.120 3.002 4.384 0.014 18 0 "[ . 1 . 2]" 1
314 1 17 LEU HA 1 31 ILE MD . . 4.330 3.954 3.086 4.318 . 0 0 "[ . 1 . 2]" 1
315 1 17 LEU HB2 1 18 HIS H . . 3.630 3.101 2.928 3.272 . 0 0 "[ . 1 . 2]" 1
316 1 17 LEU HB2 1 19 LEU H . . 5.500 5.343 5.214 5.502 0.002 11 0 "[ . 1 . 2]" 1
317 1 17 LEU HB3 1 17 LEU QD . . 3.110 2.132 2.102 2.148 . 0 0 "[ . 1 . 2]" 1
318 1 17 LEU HB3 1 18 HIS H . . 4.050 3.683 3.445 3.840 . 0 0 "[ . 1 . 2]" 1
319 1 17 LEU QD 1 18 HIS H . . 4.850 4.352 4.257 4.440 . 0 0 "[ . 1 . 2]" 1
320 1 17 LEU QD 1 27 ARG QD . . 3.630 2.174 2.058 2.328 . 0 0 "[ . 1 . 2]" 1
321 1 17 LEU HG 1 18 HIS H . . 5.420 4.881 4.785 4.968 . 0 0 "[ . 1 . 2]" 1
322 1 17 LEU HG 1 31 ILE MD . . 4.190 2.689 2.310 3.048 . 0 0 "[ . 1 . 2]" 1
323 1 18 HIS H 1 18 HIS HB2 . . 3.450 2.343 2.062 2.717 . 0 0 "[ . 1 . 2]" 1
324 1 18 HIS H 1 18 HIS QB . . 2.820 2.145 2.038 2.244 . 0 0 "[ . 1 . 2]" 1
325 1 18 HIS H 1 18 HIS HB3 . . 3.450 2.763 2.224 3.520 0.070 9 0 "[ . 1 . 2]" 1
326 1 18 HIS H 1 19 LEU HB2 . . 4.880 4.823 4.655 4.904 0.024 3 0 "[ . 1 . 2]" 1
327 1 18 HIS H 1 19 LEU MD1 . . 5.500 4.941 4.600 5.141 . 0 0 "[ . 1 . 2]" 1
328 1 18 HIS H 1 19 LEU MD2 . . 5.460 5.336 5.176 5.447 . 0 0 "[ . 1 . 2]" 1
329 1 18 HIS H 1 19 LEU HG . . 4.230 4.156 3.942 4.259 0.029 2 0 "[ . 1 . 2]" 1
330 1 18 HIS QB 1 19 LEU H . . 4.080 3.280 2.930 3.650 . 0 0 "[ . 1 . 2]" 1
331 1 19 LEU H 1 19 LEU HB2 . . 2.820 2.313 2.250 2.373 . 0 0 "[ . 1 . 2]" 1
332 1 19 LEU H 1 19 LEU HB3 . . 3.830 3.565 3.535 3.611 . 0 0 "[ . 1 . 2]" 1
333 1 19 LEU H 1 19 LEU MD1 . . 4.050 3.531 3.450 3.649 . 0 0 "[ . 1 . 2]" 1
334 1 19 LEU H 1 19 LEU MD2 . . 3.960 3.772 3.674 3.921 . 0 0 "[ . 1 . 2]" 1
335 1 19 LEU H 1 19 LEU HG . . 3.050 2.551 2.424 2.692 . 0 0 "[ . 1 . 2]" 1
336 1 19 LEU H 1 20 PRO HD3 . . 4.840 4.685 4.603 4.764 . 0 0 "[ . 1 . 2]" 1
337 1 19 LEU H 1 22 LEU HB3 . . 5.010 5.015 4.848 5.077 0.067 17 0 "[ . 1 . 2]" 1
338 1 19 LEU H 1 22 LEU MD2 . . 4.280 3.965 3.852 4.186 . 0 0 "[ . 1 . 2]" 1
339 1 19 LEU H 1 27 ARG HG3 . . 5.500 5.472 5.173 5.577 0.077 13 0 "[ . 1 . 2]" 1
340 1 19 LEU HA 1 19 LEU MD2 . . 3.010 2.125 2.088 2.153 . 0 0 "[ . 1 . 2]" 1
341 1 19 LEU HA 1 19 LEU HG . . 4.120 2.855 2.747 2.958 . 0 0 "[ . 1 . 2]" 1
342 1 19 LEU HA 1 20 PRO HD2 . . 3.020 2.323 2.194 2.418 . 0 0 "[ . 1 . 2]" 1
343 1 19 LEU HA 1 20 PRO HD3 . . 3.050 2.294 2.176 2.452 . 0 0 "[ . 1 . 2]" 1
344 1 19 LEU HB2 1 19 LEU MD1 . . 3.220 2.297 2.261 2.334 . 0 0 "[ . 1 . 2]" 1
345 1 19 LEU HB2 1 19 LEU MD2 . . 3.610 3.258 3.244 3.278 . 0 0 "[ . 1 . 2]" 1
346 1 19 LEU HB2 1 22 LEU MD2 . . 3.920 2.330 2.231 2.534 . 0 0 "[ . 1 . 2]" 1
347 1 19 LEU HB3 1 19 LEU MD1 . . 3.390 2.450 2.419 2.481 . 0 0 "[ . 1 . 2]" 1
348 1 19 LEU HB3 1 19 LEU MD2 . . 3.120 2.376 2.322 2.419 . 0 0 "[ . 1 . 2]" 1
349 1 19 LEU HB3 1 20 PRO HD2 . . 4.340 3.377 3.208 3.586 . 0 0 "[ . 1 . 2]" 1
350 1 19 LEU HB3 1 21 ASN H . . 3.970 3.808 3.636 3.977 0.007 3 0 "[ . 1 . 2]" 1
351 1 19 LEU HB3 1 22 LEU H . . 4.550 3.333 3.098 3.657 . 0 0 "[ . 1 . 2]" 1
352 1 19 LEU HB3 1 22 LEU MD1 . . 3.940 3.605 3.402 3.839 . 0 0 "[ . 1 . 2]" 1
353 1 19 LEU HB3 1 22 LEU MD2 . . 4.230 2.987 2.769 3.179 . 0 0 "[ . 1 . 2]" 1
354 1 19 LEU HB3 1 52 ASN HB2 . . 3.950 2.601 2.236 2.904 . 0 0 "[ . 1 . 2]" 1
355 1 19 LEU MD1 1 22 LEU MD1 . . 4.570 3.051 2.842 3.244 . 0 0 "[ . 1 . 2]" 1
356 1 19 LEU MD1 1 22 LEU MD2 . . 3.270 2.110 2.039 2.199 . 0 0 "[ . 1 . 2]" 1
357 1 19 LEU MD1 1 30 PHE QD . . 5.110 4.938 4.821 5.083 . 0 0 "[ . 1 . 2]" 1
358 1 19 LEU MD1 1 30 PHE QE . . 4.840 4.824 4.726 4.854 0.014 5 0 "[ . 1 . 2]" 1
359 1 19 LEU MD1 1 48 ALA H . . 4.920 4.595 4.475 4.802 . 0 0 "[ . 1 . 2]" 1
360 1 19 LEU MD1 1 49 LYS H . . 3.890 3.504 3.359 3.709 . 0 0 "[ . 1 . 2]" 1
361 1 19 LEU MD1 1 49 LYS HA . . 3.560 2.664 2.475 2.901 . 0 0 "[ . 1 . 2]" 1
362 1 19 LEU MD1 1 49 LYS QD . . 5.340 4.318 3.647 4.822 . 0 0 "[ . 1 . 2]" 1
363 1 19 LEU MD1 1 49 LYS HG2 . . 4.290 3.199 2.837 3.557 . 0 0 "[ . 1 . 2]" 1
364 1 19 LEU MD1 1 49 LYS HG3 . . 4.180 2.668 2.321 3.119 . 0 0 "[ . 1 . 2]" 1
365 1 19 LEU MD1 1 52 ASN H . . 3.990 3.810 3.699 3.969 . 0 0 "[ . 1 . 2]" 1
366 1 19 LEU MD1 1 52 ASN HB2 . . 3.470 2.586 2.412 2.682 . 0 0 "[ . 1 . 2]" 1
367 1 19 LEU MD1 1 52 ASN HB3 . . 4.030 3.133 2.926 3.344 . 0 0 "[ . 1 . 2]" 1
368 1 19 LEU MD2 1 20 PRO HD2 . . 3.610 2.957 2.681 3.271 . 0 0 "[ . 1 . 2]" 1
369 1 19 LEU MD2 1 20 PRO HD3 . . 4.020 3.585 3.356 3.853 . 0 0 "[ . 1 . 2]" 1
370 1 19 LEU MD2 1 20 PRO HG3 . . 5.500 5.059 4.759 5.360 . 0 0 "[ . 1 . 2]" 1
371 1 19 LEU MD2 1 21 ASN H . . 5.500 4.539 4.295 4.719 . 0 0 "[ . 1 . 2]" 1
372 1 19 LEU MD2 1 48 ALA MB . . 4.550 4.221 4.094 4.376 . 0 0 "[ . 1 . 2]" 1
373 1 19 LEU MD2 1 49 LYS HG2 . . 4.320 2.782 2.270 3.303 . 0 0 "[ . 1 . 2]" 1
374 1 19 LEU MD2 1 49 LYS HG3 . . 3.810 3.437 3.133 3.820 0.010 6 0 "[ . 1 . 2]" 1
375 1 19 LEU MD2 1 52 ASN H . . 4.730 4.499 4.248 4.733 0.003 9 0 "[ . 1 . 2]" 1
376 1 19 LEU MD2 1 52 ASN HB2 . . 3.850 2.870 2.736 3.071 . 0 0 "[ . 1 . 2]" 1
377 1 19 LEU MD2 1 52 ASN HB3 . . 3.930 2.608 2.366 2.858 . 0 0 "[ . 1 . 2]" 1
378 1 19 LEU MD2 1 52 ASN HD21 . . 3.790 3.200 2.996 3.385 . 0 0 "[ . 1 . 2]" 1
379 1 19 LEU MD2 1 52 ASN HD22 . . 3.930 3.323 3.054 3.523 . 0 0 "[ . 1 . 2]" 1
380 1 19 LEU HG 1 22 LEU MD1 . . 5.490 5.447 5.298 5.538 0.048 11 0 "[ . 1 . 2]" 1
381 1 20 PRO HA 1 22 LEU H . . 4.830 4.160 3.782 4.544 . 0 0 "[ . 1 . 2]" 1
382 1 20 PRO HD2 1 21 ASN H . . 3.590 2.780 2.544 2.970 . 0 0 "[ . 1 . 2]" 1
383 1 20 PRO HD2 1 21 ASN HD21 . . 5.480 4.795 4.134 5.295 . 0 0 "[ . 1 . 2]" 1
384 1 20 PRO HD2 1 21 ASN HD22 . . 5.330 4.844 4.352 5.341 0.011 11 0 "[ . 1 . 2]" 1
385 1 20 PRO HD2 1 52 ASN HD21 . . 5.040 4.165 3.847 4.464 . 0 0 "[ . 1 . 2]" 1
386 1 20 PRO HD2 1 52 ASN HD22 . . 3.650 2.722 2.423 3.031 . 0 0 "[ . 1 . 2]" 1
387 1 20 PRO HD3 1 21 ASN H . . 4.460 3.967 3.831 4.045 . 0 0 "[ . 1 . 2]" 1
388 1 20 PRO HD3 1 52 ASN HD22 . . 5.230 4.399 4.078 4.742 . 0 0 "[ . 1 . 2]" 1
389 1 20 PRO HG2 1 21 ASN H . . 3.310 2.389 2.257 2.484 . 0 0 "[ . 1 . 2]" 1
390 1 20 PRO HG2 1 21 ASN HD21 . . 4.710 4.129 3.703 4.711 0.001 10 0 "[ . 1 . 2]" 1
391 1 20 PRO HG2 1 21 ASN HD22 . . 4.610 3.536 3.166 3.970 . 0 0 "[ . 1 . 2]" 1
392 1 20 PRO HG2 1 52 ASN HD22 . . 4.460 3.296 2.765 3.911 . 0 0 "[ . 1 . 2]" 1
393 1 21 ASN H 1 21 ASN QB . . 3.120 2.569 2.502 2.655 . 0 0 "[ . 1 . 2]" 1
394 1 21 ASN H 1 21 ASN HD22 . . 4.280 4.054 3.729 4.291 0.011 2 0 "[ . 1 . 2]" 1
395 1 21 ASN H 1 22 LEU H . . 3.080 2.414 2.277 2.605 . 0 0 "[ . 1 . 2]" 1
396 1 21 ASN H 1 22 LEU HA . . 5.340 5.013 4.915 5.090 . 0 0 "[ . 1 . 2]" 1
397 1 21 ASN H 1 52 ASN HD22 . . 4.480 3.409 3.034 3.715 . 0 0 "[ . 1 . 2]" 1
398 1 21 ASN HA 1 22 LEU H . . 3.560 3.405 3.272 3.476 . 0 0 "[ . 1 . 2]" 1
399 1 21 ASN HA 1 22 LEU HA . . 5.470 4.888 4.769 4.955 . 0 0 "[ . 1 . 2]" 1
400 1 21 ASN QB 1 21 ASN HD22 . . 3.250 3.243 3.217 3.264 0.014 19 0 "[ . 1 . 2]" 1
401 1 21 ASN QB 1 22 LEU H . . 4.160 3.145 2.906 3.468 . 0 0 "[ . 1 . 2]" 1
402 1 21 ASN QB 1 22 LEU MD1 . . 4.760 4.404 4.283 4.528 . 0 0 "[ . 1 . 2]" 1
403 1 21 ASN QB 1 52 ASN HA . . 3.470 2.426 2.299 2.531 . 0 0 "[ . 1 . 2]" 1
404 1 21 ASN QB 1 55 GLN H . . 4.630 3.753 3.623 3.921 . 0 0 "[ . 1 . 2]" 1
405 1 21 ASN QB 1 55 GLN HB2 . . 3.830 2.409 2.218 2.679 . 0 0 "[ . 1 . 2]" 1
406 1 21 ASN QB 1 55 GLN HB3 . . 3.840 2.685 2.439 2.950 . 0 0 "[ . 1 . 2]" 1
407 1 21 ASN QB 1 55 GLN QG . . 5.340 4.174 4.007 4.385 . 0 0 "[ . 1 . 2]" 1
408 1 21 ASN QB 1 56 ALA H . . 4.340 3.608 3.256 4.027 . 0 0 "[ . 1 . 2]" 1
409 1 21 ASN QB 1 56 ALA HA . . 4.160 3.497 3.047 3.904 . 0 0 "[ . 1 . 2]" 1
410 1 21 ASN QB 1 56 ALA MB . . 4.310 3.853 3.574 4.279 . 0 0 "[ . 1 . 2]" 1
411 1 21 ASN HD21 1 52 ASN HD22 . . 4.580 2.772 2.373 3.210 . 0 0 "[ . 1 . 2]" 1
412 1 21 ASN HD21 1 55 GLN H . . 4.400 4.212 3.898 4.433 0.033 3 0 "[ . 1 . 2]" 1
413 1 21 ASN HD21 1 56 ALA H . . 3.930 3.176 2.984 3.499 . 0 0 "[ . 1 . 2]" 1
414 1 21 ASN HD21 1 56 ALA HA . . 3.630 2.965 2.779 3.298 . 0 0 "[ . 1 . 2]" 1
415 1 21 ASN HD21 1 56 ALA MB . . 3.560 2.440 2.236 2.856 . 0 0 "[ . 1 . 2]" 1
416 1 21 ASN HD21 1 57 PRO QD . . 4.550 4.278 3.938 4.564 0.014 19 0 "[ . 1 . 2]" 1
417 1 21 ASN HD22 1 52 ASN HA . . 5.500 5.279 5.034 5.491 . 0 0 "[ . 1 . 2]" 1
418 1 21 ASN HD22 1 52 ASN HD22 . . 3.720 3.170 2.593 3.651 . 0 0 "[ . 1 . 2]" 1
419 1 21 ASN HD22 1 56 ALA H . . 4.080 4.126 4.083 4.170 0.090 5 0 "[ . 1 . 2]" 1
420 1 21 ASN HD22 1 56 ALA HA . . 3.820 2.558 2.258 2.949 . 0 0 "[ . 1 . 2]" 1
421 1 21 ASN HD22 1 56 ALA MB . . 3.660 2.588 2.393 2.925 . 0 0 "[ . 1 . 2]" 1
422 1 21 ASN HD22 1 57 PRO QD . . 5.350 3.223 2.678 3.756 . 0 0 "[ . 1 . 2]" 1
423 1 22 LEU H 1 22 LEU HB2 . . 2.630 2.095 2.018 2.164 . 0 0 "[ . 1 . 2]" 1
424 1 22 LEU H 1 22 LEU HB3 . . 4.060 2.832 2.769 2.894 . 0 0 "[ . 1 . 2]" 1
425 1 22 LEU H 1 22 LEU MD1 . . 3.680 3.609 3.493 3.694 0.014 11 0 "[ . 1 . 2]" 1
426 1 22 LEU H 1 22 LEU HG . . 4.570 4.556 4.525 4.581 0.011 11 0 "[ . 1 . 2]" 1
427 1 22 LEU H 1 23 THR H . . 4.720 4.664 4.559 4.714 . 0 0 "[ . 1 . 2]" 1
428 1 22 LEU H 1 52 ASN HA . . 5.020 3.831 3.487 4.295 . 0 0 "[ . 1 . 2]" 1
429 1 22 LEU H 1 55 GLN HB2 . . 5.390 5.030 4.763 5.350 . 0 0 "[ . 1 . 2]" 1
430 1 22 LEU HA 1 22 LEU MD1 . . 3.090 2.105 2.066 2.138 . 0 0 "[ . 1 . 2]" 1
431 1 22 LEU HA 1 23 THR H . . 2.750 2.256 2.167 2.344 . 0 0 "[ . 1 . 2]" 1
432 1 22 LEU HA 1 30 PHE QE . . 5.460 4.937 4.803 5.195 . 0 0 "[ . 1 . 2]" 1
433 1 22 LEU HA 1 55 GLN HE21 . . 3.530 2.905 2.557 3.154 . 0 0 "[ . 1 . 2]" 1
434 1 22 LEU HA 1 55 GLN HE22 . . 3.470 2.833 2.302 3.468 . 0 0 "[ . 1 . 2]" 1
435 1 22 LEU HB2 1 22 LEU MD1 . . 3.280 2.343 2.317 2.376 . 0 0 "[ . 1 . 2]" 1
436 1 22 LEU HB2 1 22 LEU MD2 . . 3.250 2.326 2.303 2.369 . 0 0 "[ . 1 . 2]" 1
437 1 22 LEU HB2 1 26 GLN HB3 . . 5.420 5.401 5.277 5.459 0.039 13 0 "[ . 1 . 2]" 1
438 1 22 LEU HB2 1 52 ASN HB2 . . 4.020 3.015 2.754 3.278 . 0 0 "[ . 1 . 2]" 1
439 1 22 LEU HB3 1 22 LEU MD2 . . 3.490 2.305 2.254 2.353 . 0 0 "[ . 1 . 2]" 1
440 1 22 LEU HB3 1 23 THR H . . 3.780 3.828 3.795 3.856 0.076 5 0 "[ . 1 . 2]" 1
441 1 22 LEU HB3 1 26 GLN HB3 . . 4.970 4.986 4.854 5.041 0.071 14 0 "[ . 1 . 2]" 1
442 1 22 LEU HB3 1 30 PHE QE . . 5.140 4.886 4.673 5.049 . 0 0 "[ . 1 . 2]" 1
443 1 22 LEU MD1 1 23 THR H . . 4.020 3.154 3.030 3.227 . 0 0 "[ . 1 . 2]" 1
444 1 22 LEU MD1 1 23 THR HA . . 5.500 5.508 5.398 5.548 0.048 10 0 "[ . 1 . 2]" 1
445 1 22 LEU MD1 1 23 THR MG . . 4.790 4.464 4.355 4.605 . 0 0 "[ . 1 . 2]" 1
446 1 22 LEU MD1 1 26 GLN HB2 . . 3.820 3.556 3.257 3.715 . 0 0 "[ . 1 . 2]" 1
447 1 22 LEU MD1 1 26 GLN HB3 . . 4.100 2.759 2.485 2.904 . 0 0 "[ . 1 . 2]" 1
448 1 22 LEU MD1 1 27 ARG HA . . 4.880 4.341 4.161 4.568 . 0 0 "[ . 1 . 2]" 1
449 1 22 LEU MD1 1 27 ARG HB2 . . 5.300 5.156 4.923 5.408 0.108 11 0 "[ . 1 . 2]" 1
450 1 22 LEU MD1 1 30 PHE QE . . 3.490 2.219 2.095 2.300 . 0 0 "[ . 1 . 2]" 1
451 1 22 LEU MD1 1 47 GLU QB . . 5.500 5.364 5.250 5.500 . 10 0 "[ . 1 . 2]" 1
452 1 22 LEU MD1 1 48 ALA HA . . 3.970 2.492 2.321 2.657 . 0 0 "[ . 1 . 2]" 1
453 1 22 LEU MD1 1 48 ALA MB . . 4.410 3.037 2.824 3.168 . 0 0 "[ . 1 . 2]" 1
454 1 22 LEU MD1 1 49 LYS HA . . 5.230 4.676 4.534 4.925 . 0 0 "[ . 1 . 2]" 1
455 1 22 LEU MD1 1 50 LYS QE . . 5.500 5.460 5.180 5.534 0.034 1 0 "[ . 1 . 2]" 1
456 1 22 LEU MD1 1 52 ASN H . . 3.330 2.893 2.709 3.034 . 0 0 "[ . 1 . 2]" 1
457 1 22 LEU MD1 1 52 ASN HA . . 3.520 3.091 2.895 3.224 . 0 0 "[ . 1 . 2]" 1
458 1 22 LEU MD1 1 52 ASN HB2 . . 3.730 2.393 2.266 2.510 . 0 0 "[ . 1 . 2]" 1
459 1 22 LEU MD1 1 52 ASN HB3 . . 4.480 3.780 3.587 3.996 . 0 0 "[ . 1 . 2]" 1
460 1 22 LEU MD1 1 53 ASP H . . 5.330 4.979 4.746 5.162 . 0 0 "[ . 1 . 2]" 1
461 1 22 LEU MD1 1 55 GLN HE21 . . 3.940 3.072 2.723 3.717 . 0 0 "[ . 1 . 2]" 1
462 1 22 LEU MD1 1 55 GLN HE22 . . 4.160 3.295 2.729 4.010 . 0 0 "[ . 1 . 2]" 1
463 1 22 LEU MD1 1 55 GLN QG . . 5.340 4.763 4.596 4.983 . 0 0 "[ . 1 . 2]" 1
464 1 22 LEU MD2 1 26 GLN HB2 . . 4.910 4.547 4.401 4.774 . 0 0 "[ . 1 . 2]" 1
465 1 22 LEU MD2 1 27 ARG H . . 4.850 3.974 3.780 4.104 . 0 0 "[ . 1 . 2]" 1
466 1 22 LEU MD2 1 27 ARG HA . . 3.480 2.716 2.460 2.915 . 0 0 "[ . 1 . 2]" 1
467 1 22 LEU MD2 1 27 ARG HB2 . . 4.490 3.501 3.049 4.147 . 0 0 "[ . 1 . 2]" 1
468 1 22 LEU MD2 1 30 PHE QB . . 4.600 4.117 3.942 4.191 . 0 0 "[ . 1 . 2]" 1
469 1 22 LEU MD2 1 30 PHE QD . . 3.820 2.729 2.592 2.872 . 0 0 "[ . 1 . 2]" 1
470 1 22 LEU MD2 1 30 PHE QE . . 3.990 2.283 2.206 2.382 . 0 0 "[ . 1 . 2]" 1
471 1 22 LEU MD2 1 48 ALA H . . 5.410 5.018 4.916 5.167 . 0 0 "[ . 1 . 2]" 1
472 1 22 LEU MD2 1 48 ALA HA . . 5.020 3.209 3.009 3.430 . 0 0 "[ . 1 . 2]" 1
473 1 22 LEU MD2 1 48 ALA MB . . 3.520 2.218 2.129 2.307 . 0 0 "[ . 1 . 2]" 1
474 1 22 LEU HG 1 23 THR MG . . 5.080 4.958 4.814 5.088 0.008 10 0 "[ . 1 . 2]" 1
475 1 22 LEU HG 1 27 ARG H . . 3.400 3.300 2.997 3.411 0.011 4 0 "[ . 1 . 2]" 1
476 1 22 LEU HG 1 30 PHE QE . . 5.130 2.616 2.382 2.824 . 0 0 "[ . 1 . 2]" 1
477 1 22 LEU HG 1 52 ASN HB2 . . 5.300 5.186 4.973 5.321 0.021 1 0 "[ . 1 . 2]" 1
478 1 23 THR H 1 23 THR HB . . 3.850 3.764 3.713 3.805 . 0 0 "[ . 1 . 2]" 1
479 1 23 THR H 1 23 THR MG . . 2.830 2.350 2.270 2.419 . 0 0 "[ . 1 . 2]" 1
480 1 23 THR H 1 25 GLU H . . 4.980 4.979 4.430 5.088 0.108 17 0 "[ . 1 . 2]" 1
481 1 23 THR H 1 26 GLN H . . 4.800 3.779 3.624 3.911 . 0 0 "[ . 1 . 2]" 1
482 1 23 THR H 1 26 GLN HB2 . . 4.340 2.297 2.104 2.454 . 0 0 "[ . 1 . 2]" 1
483 1 23 THR H 1 26 GLN HB3 . . 3.360 3.340 3.160 3.417 0.057 18 0 "[ . 1 . 2]" 1
484 1 23 THR H 1 55 GLN HE21 . . 4.370 3.938 3.463 4.240 . 0 0 "[ . 1 . 2]" 1
485 1 23 THR H 1 55 GLN HE22 . . 3.400 2.811 2.532 3.136 . 0 0 "[ . 1 . 2]" 1
486 1 23 THR HA 1 23 THR MG . . 3.230 2.452 2.396 2.504 . 0 0 "[ . 1 . 2]" 1
487 1 23 THR HA 1 24 GLU H . . 2.790 2.272 2.181 2.398 . 0 0 "[ . 1 . 2]" 1
488 1 23 THR HA 1 24 GLU HA . . 4.780 4.350 4.284 4.414 . 0 0 "[ . 1 . 2]" 1
489 1 23 THR HA 1 25 GLU H . . 4.290 3.987 3.833 4.156 . 0 0 "[ . 1 . 2]" 1
490 1 23 THR HB 1 24 GLU H . . 3.190 2.498 2.329 2.636 . 0 0 "[ . 1 . 2]" 1
491 1 23 THR HB 1 25 GLU H . . 3.600 2.775 2.700 2.865 . 0 0 "[ . 1 . 2]" 1
492 1 23 THR HB 1 25 GLU HA . . 5.500 5.547 5.364 5.596 0.096 19 0 "[ . 1 . 2]" 1
493 1 23 THR HB 1 26 GLN H . . 4.510 3.604 3.516 3.713 . 0 0 "[ . 1 . 2]" 1
494 1 23 THR MG 1 24 GLU H . . 3.810 3.854 3.782 3.892 0.082 18 0 "[ . 1 . 2]" 1
495 1 23 THR MG 1 25 GLU H . . 4.910 4.206 3.997 4.336 . 0 0 "[ . 1 . 2]" 1
496 1 23 THR MG 1 25 GLU HB2 . . 4.630 4.108 3.823 4.422 . 0 0 "[ . 1 . 2]" 1
497 1 23 THR MG 1 26 GLN H . . 4.240 3.900 3.753 4.034 . 0 0 "[ . 1 . 2]" 1
498 1 23 THR MG 1 26 GLN HB2 . . 4.240 3.439 3.174 3.667 . 0 0 "[ . 1 . 2]" 1
499 1 23 THR MG 1 26 GLN HE21 . . 4.750 4.202 3.580 4.758 0.008 10 0 "[ . 1 . 2]" 1
500 1 23 THR MG 1 26 GLN QE . . 4.040 3.268 2.705 3.730 . 0 0 "[ . 1 . 2]" 1
501 1 23 THR MG 1 26 GLN HE22 . . 4.750 3.410 2.800 3.898 . 0 0 "[ . 1 . 2]" 1
502 1 23 THR MG 1 26 GLN QG . . 5.340 3.761 3.408 4.031 . 0 0 "[ . 1 . 2]" 1
503 1 23 THR MG 1 55 GLN HB3 . . 4.860 4.863 4.752 4.943 0.083 7 0 "[ . 1 . 2]" 1
504 1 23 THR MG 1 55 GLN HE21 . . 4.930 3.935 3.286 4.341 . 0 0 "[ . 1 . 2]" 1
505 1 23 THR MG 1 55 GLN HE22 . . 4.270 2.514 2.130 2.982 . 0 0 "[ . 1 . 2]" 1
506 1 23 THR MG 1 55 GLN QG . . 5.340 4.682 4.419 5.017 . 0 0 "[ . 1 . 2]" 1
507 1 24 GLU H 1 24 GLU QB . . 2.800 2.386 2.096 2.625 . 0 0 "[ . 1 . 2]" 1
508 1 24 GLU H 1 24 GLU QG . . 4.410 2.924 2.074 4.030 . 0 0 "[ . 1 . 2]" 1
509 1 24 GLU H 1 25 GLU H . . 3.190 2.629 2.433 2.807 . 0 0 "[ . 1 . 2]" 1
510 1 24 GLU H 1 25 GLU HB2 . . 5.140 4.457 4.214 4.673 . 0 0 "[ . 1 . 2]" 1
511 1 24 GLU H 1 26 GLN H . . 4.740 4.331 4.199 4.519 . 0 0 "[ . 1 . 2]" 1
512 1 24 GLU H 1 26 GLN HB2 . . 5.500 5.069 4.909 5.208 . 0 0 "[ . 1 . 2]" 1
513 1 24 GLU H 1 27 ARG HB2 . . 5.500 4.913 4.602 5.479 . 0 0 "[ . 1 . 2]" 1
514 1 24 GLU HA 1 24 GLU QG . . 3.880 2.782 2.261 3.446 . 0 0 "[ . 1 . 2]" 1
515 1 24 GLU HA 1 27 ARG H . . 4.170 3.621 3.098 4.199 0.029 19 0 "[ . 1 . 2]" 1
516 1 24 GLU HA 1 27 ARG HB2 . . 4.370 2.817 2.258 3.749 . 0 0 "[ . 1 . 2]" 1
517 1 24 GLU HA 1 27 ARG HB3 . . 4.000 3.210 2.527 4.014 0.014 19 0 "[ . 1 . 2]" 1
518 1 24 GLU QB 1 25 GLU H . . 3.650 3.075 2.620 3.644 . 0 0 "[ . 1 . 2]" 1
519 1 25 GLU H 1 25 GLU HB2 . . 3.150 2.149 1.968 2.282 . 0 0 "[ . 1 . 2]" 1
520 1 25 GLU H 1 25 GLU HB3 . . 4.090 3.413 3.211 3.510 . 0 0 "[ . 1 . 2]" 1
521 1 25 GLU H 1 25 GLU QG . . 3.560 3.069 2.364 3.710 0.150 17 0 "[ . 1 . 2]" 1
522 1 25 GLU H 1 26 GLN H . . 3.140 2.557 2.161 2.728 . 0 0 "[ . 1 . 2]" 1
523 1 25 GLU HA 1 25 GLU QG . . 3.450 2.376 2.154 3.016 . 0 0 "[ . 1 . 2]" 1
524 1 25 GLU HA 1 28 ASN H . . 4.070 3.971 3.586 4.189 0.119 8 0 "[ . 1 . 2]" 1
525 1 25 GLU HA 1 28 ASN QB . . 3.830 3.670 3.154 3.913 0.083 12 0 "[ . 1 . 2]" 1
526 1 25 GLU HA 1 28 ASN HD21 . . 4.510 2.428 2.068 3.003 . 0 0 "[ . 1 . 2]" 1
527 1 25 GLU HA 1 28 ASN HD22 . . 4.530 2.971 2.464 4.292 . 0 0 "[ . 1 . 2]" 1
528 1 25 GLU HB2 1 26 GLN H . . 3.500 2.665 2.287 3.122 . 0 0 "[ . 1 . 2]" 1
529 1 25 GLU HB3 1 26 GLN H . . 3.460 3.019 2.801 3.415 . 0 0 "[ . 1 . 2]" 1
530 1 25 GLU HB3 1 26 GLN HB2 . . 4.770 4.883 4.816 4.998 0.228 6 0 "[ . 1 . 2]" 1
531 1 25 GLU HB3 1 26 GLN QG . . 5.100 4.098 3.755 4.532 . 0 0 "[ . 1 . 2]" 1
532 1 25 GLU HB3 1 28 ASN HD21 . . 4.790 4.568 4.289 4.833 0.043 13 0 "[ . 1 . 2]" 1
533 1 25 GLU HB3 1 28 ASN HD22 . . 5.500 5.430 4.647 5.557 0.057 2 0 "[ . 1 . 2]" 1
534 1 26 GLN H 1 26 GLN HB2 . . 3.560 2.075 1.960 2.194 . 0 0 "[ . 1 . 2]" 1
535 1 26 GLN H 1 26 GLN HB3 . . 3.560 3.423 3.327 3.485 . 0 0 "[ . 1 . 2]" 1
536 1 26 GLN H 1 26 GLN QE . . 5.300 4.986 4.750 5.286 . 0 0 "[ . 1 . 2]" 1
537 1 26 GLN H 1 26 GLN QG . . 3.730 2.920 2.742 3.215 . 0 0 "[ . 1 . 2]" 1
538 1 26 GLN H 1 27 ARG H . . 3.020 2.728 2.416 2.936 . 0 0 "[ . 1 . 2]" 1
539 1 26 GLN H 1 28 ASN H . . 5.260 4.632 4.362 4.823 . 0 0 "[ . 1 . 2]" 1
540 1 26 GLN H 1 28 ASN HD21 . . 5.500 5.331 4.496 5.544 0.044 17 0 "[ . 1 . 2]" 1
541 1 26 GLN HA 1 26 GLN HG2 . . 3.590 2.639 2.523 2.740 . 0 0 "[ . 1 . 2]" 1
542 1 26 GLN HA 1 26 GLN HG3 . . 3.590 2.519 2.348 2.651 . 0 0 "[ . 1 . 2]" 1
543 1 26 GLN HA 1 30 PHE HZ . . 5.500 4.706 4.314 4.975 . 0 0 "[ . 1 . 2]" 1
544 1 26 GLN HA 1 51 LEU MD1 . . 5.260 4.934 4.595 5.238 . 0 0 "[ . 1 . 2]" 1
545 1 26 GLN HB2 1 26 GLN QE . . 4.370 3.960 3.864 4.038 . 0 0 "[ . 1 . 2]" 1
546 1 26 GLN HB2 1 26 GLN HE22 . . 4.980 4.508 4.364 4.595 . 0 0 "[ . 1 . 2]" 1
547 1 26 GLN HB2 1 27 ARG H . . 3.330 2.762 2.604 2.910 . 0 0 "[ . 1 . 2]" 1
548 1 26 GLN HB2 1 30 PHE QE . . 4.160 3.786 3.582 4.047 . 0 0 "[ . 1 . 2]" 1
549 1 26 GLN HB2 1 55 GLN HE21 . . 5.150 5.284 5.187 5.366 0.216 8 0 "[ . 1 . 2]" 1
550 1 26 GLN HB2 1 55 GLN HE22 . . 4.650 4.086 3.928 4.206 . 0 0 "[ . 1 . 2]" 1
551 1 26 GLN HB3 1 27 ARG H . . 3.090 3.097 3.013 3.133 0.043 17 0 "[ . 1 . 2]" 1
552 1 26 GLN HB3 1 51 LEU HB3 . . 5.500 4.533 4.102 4.841 . 0 0 "[ . 1 . 2]" 1
553 1 26 GLN QE 1 26 GLN QG . . 2.950 2.262 2.230 2.311 . 0 0 "[ . 1 . 2]" 1
554 1 26 GLN QE 1 30 PHE QE . . 5.340 5.275 4.746 5.440 0.100 15 0 "[ . 1 . 2]" 1
555 1 26 GLN QE 1 51 LEU MD1 . . 4.160 3.615 2.726 4.127 . 0 0 "[ . 1 . 2]" 1
556 1 26 GLN QE 1 55 GLN HE21 . . 4.490 3.130 2.656 3.519 . 0 0 "[ . 1 . 2]" 1
557 1 26 GLN QE 1 55 GLN HE22 . . 3.550 2.278 1.928 2.647 . 0 0 "[ . 1 . 2]" 1
558 1 26 GLN QE 1 55 GLN QG . . 4.690 3.513 3.121 4.020 . 0 0 "[ . 1 . 2]" 1
559 1 26 GLN HE21 1 51 LEU MD1 . . 4.980 3.823 2.861 4.411 . 0 0 "[ . 1 . 2]" 1
560 1 26 GLN HE21 1 51 LEU MD2 . . 3.680 2.771 2.492 3.306 . 0 0 "[ . 1 . 2]" 1
561 1 26 GLN HE22 1 51 LEU MD1 . . 4.980 4.472 3.431 4.987 0.007 12 0 "[ . 1 . 2]" 1
562 1 26 GLN HE22 1 51 LEU MD2 . . 3.680 2.937 2.302 3.561 . 0 0 "[ . 1 . 2]" 1
563 1 26 GLN QG 1 27 ARG H . . 5.330 4.365 4.290 4.421 . 0 0 "[ . 1 . 2]" 1
564 1 26 GLN QG 1 30 PHE HZ . . 5.270 3.317 3.031 3.459 . 0 0 "[ . 1 . 2]" 1
565 1 26 GLN QG 1 51 LEU HB2 . . 5.340 4.940 4.693 5.211 . 0 0 "[ . 1 . 2]" 1
566 1 26 GLN QG 1 51 LEU MD1 . . 3.860 3.036 2.830 3.191 . 0 0 "[ . 1 . 2]" 1
567 1 26 GLN QG 1 51 LEU MD2 . . 4.360 3.413 2.603 4.068 . 0 0 "[ . 1 . 2]" 1
568 1 26 GLN QG 1 55 GLN HE21 . . 5.050 5.029 4.860 5.187 0.137 1 0 "[ . 1 . 2]" 1
569 1 26 GLN QG 1 55 GLN HE22 . . 5.340 4.096 3.909 4.230 . 0 0 "[ . 1 . 2]" 1
570 1 26 GLN HG2 1 51 LEU MD1 . . 4.600 3.080 2.865 3.254 . 0 0 "[ . 1 . 2]" 1
571 1 26 GLN HG3 1 51 LEU MD1 . . 4.600 4.597 4.408 4.637 0.037 15 0 "[ . 1 . 2]" 1
572 1 27 ARG H 1 27 ARG HB2 . . 2.890 2.126 2.008 2.221 . 0 0 "[ . 1 . 2]" 1
573 1 27 ARG H 1 27 ARG HB3 . . 3.710 2.950 2.638 3.403 . 0 0 "[ . 1 . 2]" 1
574 1 27 ARG H 1 27 ARG HG3 . . 4.170 3.957 2.934 4.192 0.022 9 0 "[ . 1 . 2]" 1
575 1 27 ARG H 1 28 ASN H . . 3.230 3.025 2.902 3.162 . 0 0 "[ . 1 . 2]" 1
576 1 27 ARG H 1 29 GLY H . . 4.570 4.314 4.103 4.562 . 0 0 "[ . 1 . 2]" 1
577 1 27 ARG HA 1 27 ARG HG2 . . 3.670 2.726 2.423 2.991 . 0 0 "[ . 1 . 2]" 1
578 1 27 ARG HA 1 27 ARG HG3 . . 3.970 2.408 2.261 2.700 . 0 0 "[ . 1 . 2]" 1
579 1 27 ARG HA 1 30 PHE H . . 4.070 3.789 3.558 3.975 . 0 0 "[ . 1 . 2]" 1
580 1 27 ARG HA 1 30 PHE QB . . 4.020 3.907 3.688 4.046 0.026 19 0 "[ . 1 . 2]" 1
581 1 27 ARG HA 1 30 PHE QD . . 3.570 2.161 2.031 2.274 . 0 0 "[ . 1 . 2]" 1
582 1 27 ARG HA 1 30 PHE QE . . 5.450 2.981 2.667 3.309 . 0 0 "[ . 1 . 2]" 1
583 1 27 ARG HB2 1 28 ASN H . . 3.440 3.456 2.997 3.545 0.105 3 0 "[ . 1 . 2]" 1
584 1 27 ARG HB3 1 27 ARG QD . . 3.670 2.758 2.368 3.156 . 0 0 "[ . 1 . 2]" 1
585 1 27 ARG HB3 1 28 ASN H . . 3.000 2.416 2.072 3.000 . 0 0 "[ . 1 . 2]" 1
586 1 27 ARG HB3 1 28 ASN QB . . 5.340 4.550 3.689 5.023 . 0 0 "[ . 1 . 2]" 1
587 1 27 ARG QD 1 31 ILE MD . . 4.110 2.786 2.471 3.080 . 0 0 "[ . 1 . 2]" 1
588 1 27 ARG QD 1 31 ILE HG12 . . 5.260 5.158 4.727 5.318 0.058 11 0 "[ . 1 . 2]" 1
589 1 27 ARG HD2 1 31 ILE MD . . 4.730 3.085 2.527 3.958 . 0 0 "[ . 1 . 2]" 1
590 1 27 ARG HD3 1 31 ILE MD . . 4.730 3.529 2.657 4.236 . 0 0 "[ . 1 . 2]" 1
591 1 27 ARG HG2 1 31 ILE MG . . 5.500 4.843 4.475 5.554 0.054 11 0 "[ . 1 . 2]" 1
592 1 27 ARG HG3 1 28 ASN H . . 5.010 4.846 4.624 5.028 0.018 5 0 "[ . 1 . 2]" 1
593 1 27 ARG HG3 1 30 PHE QE . . 5.500 4.656 4.192 5.282 . 0 0 "[ . 1 . 2]" 1
594 1 27 ARG HG3 1 31 ILE MD . . 4.070 3.443 3.027 3.910 . 0 0 "[ . 1 . 2]" 1
595 1 28 ASN H 1 28 ASN QB . . 2.810 2.516 1.971 2.729 . 0 0 "[ . 1 . 2]" 1
596 1 28 ASN H 1 29 GLY H . . 3.260 2.938 2.768 3.178 . 0 0 "[ . 1 . 2]" 1
597 1 28 ASN H 1 30 PHE H . . 4.740 4.533 4.348 4.665 . 0 0 "[ . 1 . 2]" 1
598 1 28 ASN H 1 31 ILE H . . 4.880 4.868 4.813 4.925 0.045 20 0 "[ . 1 . 2]" 1
599 1 28 ASN H 1 31 ILE MD . . 4.200 4.181 3.695 4.258 0.058 9 0 "[ . 1 . 2]" 1
600 1 28 ASN H 1 32 GLN H . . 5.500 5.618 5.571 5.670 0.170 4 0 "[ . 1 . 2]" 1
601 1 28 ASN HA 1 31 ILE H . . 3.840 3.665 3.526 3.818 . 0 0 "[ . 1 . 2]" 1
602 1 28 ASN HA 1 31 ILE HB . . 3.460 2.420 2.269 2.532 . 0 0 "[ . 1 . 2]" 1
603 1 28 ASN HA 1 31 ILE MD . . 4.150 3.338 2.972 3.583 . 0 0 "[ . 1 . 2]" 1
604 1 28 ASN HA 1 31 ILE HG12 . . 5.250 5.208 4.968 5.329 0.079 10 0 "[ . 1 . 2]" 1
605 1 28 ASN HA 1 31 ILE MG . . 4.720 3.700 3.560 3.836 . 0 0 "[ . 1 . 2]" 1
606 1 28 ASN HA 1 32 GLN H . . 4.310 3.236 3.087 3.421 . 0 0 "[ . 1 . 2]" 1
607 1 28 ASN HA 1 32 GLN HA . . 5.390 5.382 5.255 5.486 0.096 3 0 "[ . 1 . 2]" 1
608 1 28 ASN QB 1 28 ASN HD22 . . 3.320 3.248 3.210 3.334 0.014 8 0 "[ . 1 . 2]" 1
609 1 28 ASN QB 1 29 GLY H . . 3.420 2.743 2.488 3.470 0.050 12 0 "[ . 1 . 2]" 1
610 1 29 GLY H 1 29 GLY QA . . 2.550 2.204 2.178 2.228 . 0 0 "[ . 1 . 2]" 1
611 1 29 GLY H 1 30 PHE H . . 3.060 2.824 2.654 3.036 . 0 0 "[ . 1 . 2]" 1
612 1 29 GLY H 1 30 PHE QB . . 5.490 5.142 4.999 5.369 . 0 0 "[ . 1 . 2]" 1
613 1 29 GLY H 1 31 ILE H . . 4.380 4.293 4.008 4.416 0.036 2 0 "[ . 1 . 2]" 1
614 1 29 GLY H 1 32 GLN H . . 5.050 4.754 4.432 4.893 . 0 0 "[ . 1 . 2]" 1
615 1 29 GLY H 1 32 GLN QB . . 4.940 4.848 4.619 5.031 0.091 13 0 "[ . 1 . 2]" 1
616 1 29 GLY QA 1 31 ILE H . . 4.990 4.420 4.261 4.519 . 0 0 "[ . 1 . 2]" 1
617 1 29 GLY QA 1 32 GLN QB . . 5.030 3.217 2.630 3.753 . 0 0 "[ . 1 . 2]" 1
618 1 30 PHE H 1 30 PHE QB . . 2.790 2.664 2.604 2.807 0.017 2 0 "[ . 1 . 2]" 1
619 1 30 PHE H 1 30 PHE QD . . 3.460 2.733 2.449 3.157 . 0 0 "[ . 1 . 2]" 1
620 1 30 PHE H 1 31 ILE H . . 3.050 2.283 1.887 2.434 . 0 0 "[ . 1 . 2]" 1
621 1 30 PHE H 1 31 ILE HB . . 4.860 4.327 3.769 4.577 . 0 0 "[ . 1 . 2]" 1
622 1 30 PHE H 1 31 ILE HG12 . . 5.500 5.534 5.305 5.593 0.093 12 0 "[ . 1 . 2]" 1
623 1 30 PHE H 1 32 GLN H . . 4.400 3.989 3.311 4.204 . 0 0 "[ . 1 . 2]" 1
624 1 30 PHE H 1 48 ALA MB . . 5.500 4.976 4.821 5.353 . 0 0 "[ . 1 . 2]" 1
625 1 30 PHE HA 1 30 PHE QD . . 3.970 2.931 2.812 3.136 . 0 0 "[ . 1 . 2]" 1
626 1 30 PHE HA 1 30 PHE QE . . 5.500 4.913 4.831 5.002 . 0 0 "[ . 1 . 2]" 1
627 1 30 PHE HA 1 32 GLN H . . 5.500 4.810 4.625 4.990 . 0 0 "[ . 1 . 2]" 1
628 1 30 PHE HA 1 33 SER H . . 3.990 3.856 3.480 3.998 0.008 1 0 "[ . 1 . 2]" 1
629 1 30 PHE HA 1 33 SER QB . . 4.210 2.816 2.493 3.088 . 0 0 "[ . 1 . 2]" 1
630 1 30 PHE HA 1 34 LEU H . . 4.710 4.293 4.092 4.521 . 0 0 "[ . 1 . 2]" 1
631 1 30 PHE HA 1 44 ILE MG . . 4.140 2.521 2.299 2.827 . 0 0 "[ . 1 . 2]" 1
632 1 30 PHE QB 1 31 ILE H . . 3.100 2.394 2.308 2.492 . 0 0 "[ . 1 . 2]" 1
633 1 30 PHE QB 1 31 ILE HG12 . . 4.290 4.142 3.965 4.309 0.019 2 0 "[ . 1 . 2]" 1
634 1 30 PHE QB 1 31 ILE HG13 . . 5.010 3.210 3.029 3.406 . 0 0 "[ . 1 . 2]" 1
635 1 30 PHE QB 1 32 GLN H . . 5.500 4.884 4.798 4.956 . 0 0 "[ . 1 . 2]" 1
636 1 30 PHE QB 1 34 LEU QD . . 4.580 3.985 3.655 4.212 . 0 0 "[ . 1 . 2]" 1
637 1 30 PHE QB 1 44 ILE HB . . 5.210 4.514 4.431 4.578 . 0 0 "[ . 1 . 2]" 1
638 1 30 PHE QB 1 44 ILE MG . . 3.360 2.009 1.927 2.069 . 0 0 "[ . 1 . 2]" 1
639 1 30 PHE QB 1 45 LEU QD . . 5.440 5.024 4.474 5.282 . 0 0 "[ . 1 . 2]" 1
640 1 30 PHE QD 1 31 ILE H . . 4.710 3.419 3.353 3.473 . 0 0 "[ . 1 . 2]" 1
641 1 30 PHE QD 1 44 ILE MD . . 4.140 4.041 3.785 4.167 0.027 4 0 "[ . 1 . 2]" 1
642 1 30 PHE QD 1 47 GLU HA . . 5.500 5.128 4.966 5.470 . 0 0 "[ . 1 . 2]" 1
643 1 30 PHE QD 1 47 GLU QG . . 4.270 4.331 4.208 4.389 0.119 19 0 "[ . 1 . 2]" 1
644 1 30 PHE QD 1 48 ALA H . . 4.690 3.499 3.370 3.655 . 0 0 "[ . 1 . 2]" 1
645 1 30 PHE QD 1 48 ALA MB . . 3.890 2.916 2.863 3.005 . 0 0 "[ . 1 . 2]" 1
646 1 30 PHE QE 1 31 ILE H . . 5.500 5.538 5.490 5.574 0.074 17 0 "[ . 1 . 2]" 1
647 1 30 PHE QE 1 47 GLU HA . . 5.500 4.289 4.204 4.391 . 0 0 "[ . 1 . 2]" 1
648 1 30 PHE QE 1 47 GLU QB . . 4.190 2.078 2.029 2.177 . 0 0 "[ . 1 . 2]" 1
649 1 30 PHE QE 1 47 GLU QG . . 4.510 3.618 3.525 3.746 . 0 0 "[ . 1 . 2]" 1
650 1 30 PHE QE 1 48 ALA H . . 5.150 3.864 3.732 3.928 . 0 0 "[ . 1 . 2]" 1
651 1 30 PHE QE 1 48 ALA HA . . 3.720 3.044 3.011 3.082 . 0 0 "[ . 1 . 2]" 1
652 1 30 PHE QE 1 48 ALA MB . . 4.370 3.330 3.178 3.450 . 0 0 "[ . 1 . 2]" 1
653 1 30 PHE QE 1 49 LYS H . . 5.500 5.551 5.522 5.571 0.071 8 0 "[ . 1 . 2]" 1
654 1 30 PHE QE 1 50 LYS QE . . 5.500 4.424 4.112 4.775 . 0 0 "[ . 1 . 2]" 1
655 1 30 PHE QE 1 51 LEU H . . 5.500 4.792 4.620 4.991 . 0 0 "[ . 1 . 2]" 1
656 1 30 PHE QE 1 51 LEU HB3 . . 5.500 4.308 4.144 4.506 . 0 0 "[ . 1 . 2]" 1
657 1 30 PHE QE 1 51 LEU MD1 . . 3.320 2.142 2.059 2.395 . 0 0 "[ . 1 . 2]" 1
658 1 30 PHE HZ 1 47 GLU QB . . 5.500 4.218 4.045 4.404 . 0 0 "[ . 1 . 2]" 1
659 1 30 PHE HZ 1 47 GLU QG . . 5.500 5.539 5.436 5.585 0.085 17 0 "[ . 1 . 2]" 1
660 1 30 PHE HZ 1 51 LEU HB2 . . 5.020 2.710 2.513 2.883 . 0 0 "[ . 1 . 2]" 1
661 1 31 ILE H 1 31 ILE HB . . 2.720 2.492 2.416 2.561 . 0 0 "[ . 1 . 2]" 1
662 1 31 ILE H 1 31 ILE MD . . 3.970 3.655 3.435 3.746 . 0 0 "[ . 1 . 2]" 1
663 1 31 ILE H 1 31 ILE HG12 . . 3.450 3.365 3.271 3.461 0.011 11 0 "[ . 1 . 2]" 1
664 1 31 ILE H 1 31 ILE HG13 . . 3.470 2.143 2.082 2.185 . 0 0 "[ . 1 . 2]" 1
665 1 31 ILE H 1 31 ILE MG . . 3.960 3.824 3.781 3.855 . 0 0 "[ . 1 . 2]" 1
666 1 31 ILE H 1 32 GLN H . . 3.070 2.937 2.874 3.019 . 0 0 "[ . 1 . 2]" 1
667 1 31 ILE H 1 34 LEU HB2 . . 4.770 4.738 4.621 4.824 0.054 15 0 "[ . 1 . 2]" 1
668 1 31 ILE H 1 44 ILE MG . . 4.930 4.270 4.066 4.446 . 0 0 "[ . 1 . 2]" 1
669 1 31 ILE H 1 48 ALA MB . . 5.260 5.250 5.129 5.306 0.046 9 0 "[ . 1 . 2]" 1
670 1 31 ILE HA 1 31 ILE MD . . 3.850 3.800 3.746 3.877 0.027 11 0 "[ . 1 . 2]" 1
671 1 31 ILE HA 1 31 ILE HG12 . . 3.640 2.369 2.301 2.592 . 0 0 "[ . 1 . 2]" 1
672 1 31 ILE HA 1 31 ILE HG13 . . 3.610 2.926 2.847 3.006 . 0 0 "[ . 1 . 2]" 1
673 1 31 ILE HA 1 31 ILE MG . . 3.310 2.529 2.479 2.584 . 0 0 "[ . 1 . 2]" 1
674 1 31 ILE HA 1 34 LEU H . . 3.760 3.325 3.200 3.469 . 0 0 "[ . 1 . 2]" 1
675 1 31 ILE HA 1 34 LEU HB2 . . 3.890 2.604 2.265 2.868 . 0 0 "[ . 1 . 2]" 1
676 1 31 ILE HA 1 34 LEU HB3 . . 4.100 2.909 2.616 3.172 . 0 0 "[ . 1 . 2]" 1
677 1 31 ILE HA 1 34 LEU MD1 . . 4.760 4.760 4.666 4.827 0.067 12 0 "[ . 1 . 2]" 1
678 1 31 ILE HA 1 34 LEU MD2 . . 4.760 3.548 2.735 4.274 . 0 0 "[ . 1 . 2]" 1
679 1 31 ILE HA 1 35 LYS H . . 4.900 4.387 4.161 4.642 . 0 0 "[ . 1 . 2]" 1
680 1 31 ILE HB 1 32 GLN H . . 3.190 2.512 2.443 2.578 . 0 0 "[ . 1 . 2]" 1
681 1 31 ILE HB 1 34 LEU H . . 5.500 5.437 5.358 5.515 0.015 17 0 "[ . 1 . 2]" 1
682 1 31 ILE HG12 1 32 GLN H . . 4.910 4.930 4.885 4.988 0.078 11 0 "[ . 1 . 2]" 1
683 1 31 ILE HG13 1 31 ILE MG . . 3.340 3.250 3.193 3.277 . 0 0 "[ . 1 . 2]" 1
684 1 31 ILE HG13 1 32 GLN H . . 4.230 4.320 4.286 4.343 0.113 14 0 "[ . 1 . 2]" 1
685 1 31 ILE MG 1 32 GLN H . . 3.330 3.105 3.003 3.253 . 0 0 "[ . 1 . 2]" 1
686 1 31 ILE MG 1 32 GLN HA . . 4.170 3.218 3.003 3.388 . 0 0 "[ . 1 . 2]" 1
687 1 31 ILE MG 1 33 SER H . . 5.500 5.113 4.962 5.303 . 0 0 "[ . 1 . 2]" 1
688 1 31 ILE MG 1 35 LYS H . . 4.510 4.181 3.984 4.404 . 0 0 "[ . 1 . 2]" 1
689 1 31 ILE MG 1 35 LYS HB3 . . 5.500 5.486 5.318 5.556 0.056 18 0 "[ . 1 . 2]" 1
690 1 31 ILE MG 1 35 LYS QD . . 3.510 3.419 2.739 3.549 0.039 11 0 "[ . 1 . 2]" 1
691 1 31 ILE MG 1 35 LYS HE2 . . 4.120 3.447 2.241 3.876 . 0 0 "[ . 1 . 2]" 1
692 1 31 ILE MG 1 35 LYS HE3 . . 4.120 2.403 2.006 4.181 0.061 20 0 "[ . 1 . 2]" 1
693 1 32 GLN H 1 32 GLN QB . . 2.660 2.237 2.164 2.270 . 0 0 "[ . 1 . 2]" 1
694 1 32 GLN H 1 32 GLN QG . . 4.050 4.007 3.814 4.071 0.021 10 0 "[ . 1 . 2]" 1
695 1 32 GLN H 1 33 SER H . . 3.110 3.000 2.839 3.124 0.014 8 0 "[ . 1 . 2]" 1
696 1 32 GLN H 1 34 LEU H . . 4.300 4.138 4.061 4.216 . 0 0 "[ . 1 . 2]" 1
697 1 32 GLN H 1 35 LYS QD . . 5.050 4.863 4.269 5.082 0.032 9 0 "[ . 1 . 2]" 1
698 1 32 GLN HA 1 32 GLN HE21 . . 4.510 2.674 2.241 3.121 . 0 0 "[ . 1 . 2]" 1
699 1 32 GLN HA 1 32 GLN HE22 . . 5.020 3.747 3.075 4.743 . 0 0 "[ . 1 . 2]" 1
700 1 32 GLN HA 1 32 GLN QG . . 3.740 2.890 2.183 3.224 . 0 0 "[ . 1 . 2]" 1
701 1 32 GLN HA 1 33 SER HA . . 5.160 4.882 4.776 4.950 . 0 0 "[ . 1 . 2]" 1
702 1 32 GLN HA 1 34 LEU H . . 4.290 4.263 4.199 4.304 0.014 2 0 "[ . 1 . 2]" 1
703 1 32 GLN HA 1 35 LYS H . . 3.880 3.462 3.335 3.600 . 0 0 "[ . 1 . 2]" 1
704 1 32 GLN HA 1 35 LYS HB2 . . 3.630 3.316 3.061 3.633 0.003 20 0 "[ . 1 . 2]" 1
705 1 32 GLN HA 1 35 LYS HB3 . . 5.210 4.772 4.612 4.920 . 0 0 "[ . 1 . 2]" 1
706 1 32 GLN HA 1 35 LYS QD . . 3.720 2.493 2.156 3.293 . 0 0 "[ . 1 . 2]" 1
707 1 32 GLN HA 1 35 LYS HG2 . . 4.960 4.514 4.173 4.899 . 0 0 "[ . 1 . 2]" 1
708 1 32 GLN HA 1 36 ASP H . . 4.990 4.556 4.249 4.973 . 0 0 "[ . 1 . 2]" 1
709 1 32 GLN QB 1 33 SER H . . 3.100 2.471 2.312 2.598 . 0 0 "[ . 1 . 2]" 1
710 1 32 GLN QB 1 34 LEU H . . 5.100 4.702 4.628 4.771 . 0 0 "[ . 1 . 2]" 1
711 1 32 GLN HE21 1 32 GLN QG . . 3.000 2.411 2.274 2.705 . 0 0 "[ . 1 . 2]" 1
712 1 32 GLN HE21 1 33 SER H . . 3.860 4.000 3.906 4.109 0.249 10 0 "[ . 1 . 2]" 1
713 1 32 GLN HE21 1 35 LYS HB2 . . 4.420 2.841 2.327 3.212 . 0 0 "[ . 1 . 2]" 1
714 1 32 GLN HE21 1 35 LYS QD . . 5.500 3.539 3.148 4.856 . 0 0 "[ . 1 . 2]" 1
715 1 32 GLN HE21 1 36 ASP H . . 4.200 3.334 2.920 3.874 . 0 0 "[ . 1 . 2]" 1
716 1 32 GLN HE22 1 32 GLN QG . . 3.640 3.383 3.304 3.486 . 0 0 "[ . 1 . 2]" 1
717 1 32 GLN HE22 1 35 LYS HB2 . . 4.600 3.372 2.462 4.623 0.023 16 0 "[ . 1 . 2]" 1
718 1 32 GLN HE22 1 35 LYS QD . . 4.970 3.641 2.607 5.047 0.077 16 0 "[ . 1 . 2]" 1
719 1 32 GLN QG 1 33 SER H . . 4.420 3.506 2.965 4.442 0.022 2 0 "[ . 1 . 2]" 1
720 1 32 GLN QG 1 35 LYS QD . . 5.500 4.124 2.558 5.545 0.045 20 0 "[ . 1 . 2]" 1
721 1 32 GLN QG 1 35 LYS HG3 . . 5.500 5.246 4.444 5.555 0.055 4 0 "[ . 1 . 2]" 1
722 1 33 SER H 1 33 SER QB . . 2.860 2.481 2.283 2.677 . 0 0 "[ . 1 . 2]" 1
723 1 33 SER H 1 34 LEU HB2 . . 5.080 4.854 4.631 5.097 0.017 11 0 "[ . 1 . 2]" 1
724 1 33 SER H 1 44 ILE MG . . 5.010 4.586 4.337 4.862 . 0 0 "[ . 1 . 2]" 1
725 1 33 SER HA 1 36 ASP H . . 3.690 3.304 2.950 3.579 . 0 0 "[ . 1 . 2]" 1
726 1 33 SER HA 1 36 ASP HB2 . . 3.940 3.449 2.309 3.971 0.031 19 0 "[ . 1 . 2]" 1
727 1 33 SER HA 1 36 ASP QB . . 3.420 2.362 2.079 2.735 . 0 0 "[ . 1 . 2]" 1
728 1 33 SER HA 1 36 ASP HB3 . . 3.940 2.623 2.099 3.959 0.019 15 0 "[ . 1 . 2]" 1
729 1 33 SER HA 1 37 ASP H . . 4.240 3.844 3.372 4.237 . 0 0 "[ . 1 . 2]" 1
730 1 33 SER HA 1 37 ASP HB2 . . 5.500 4.772 4.267 5.223 . 0 0 "[ . 1 . 2]" 1
731 1 33 SER QB 1 34 LEU H . . 3.190 2.863 2.651 3.183 . 0 0 "[ . 1 . 2]" 1
732 1 33 SER QB 1 44 ILE MD . . 3.320 2.109 1.983 2.348 . 0 0 "[ . 1 . 2]" 1
733 1 33 SER QB 1 44 ILE MG . . 4.200 3.033 2.471 3.621 . 0 0 "[ . 1 . 2]" 1
734 1 33 SER HB2 1 44 ILE MD . . 4.140 2.369 2.257 2.631 . 0 0 "[ . 1 . 2]" 1
735 1 33 SER HB3 1 44 ILE MD . . 4.140 2.378 2.131 2.695 . 0 0 "[ . 1 . 2]" 1
736 1 34 LEU H 1 34 LEU HB2 . . 2.870 2.170 2.062 2.291 . 0 0 "[ . 1 . 2]" 1
737 1 34 LEU H 1 34 LEU HB3 . . 3.120 2.803 2.635 3.035 . 0 0 "[ . 1 . 2]" 1
738 1 34 LEU H 1 34 LEU QD . . 3.950 3.534 3.302 3.641 . 0 0 "[ . 1 . 2]" 1
739 1 34 LEU H 1 34 LEU HG . . 4.990 4.528 4.446 4.618 . 0 0 "[ . 1 . 2]" 1
740 1 34 LEU H 1 44 ILE MD . . 4.420 4.012 3.556 4.306 . 0 0 "[ . 1 . 2]" 1
741 1 34 LEU H 1 44 ILE MG . . 3.980 3.118 2.907 3.368 . 0 0 "[ . 1 . 2]" 1
742 1 34 LEU HA 1 34 LEU QD . . 3.290 2.086 2.030 2.147 . 0 0 "[ . 1 . 2]" 1
743 1 34 LEU HA 1 36 ASP H . . 5.500 4.349 4.154 4.627 . 0 0 "[ . 1 . 2]" 1
744 1 34 LEU HA 1 37 ASP H . . 3.840 3.566 3.390 3.725 . 0 0 "[ . 1 . 2]" 1
745 1 34 LEU HA 1 38 PRO HA . . 4.120 3.346 3.087 3.625 . 0 0 "[ . 1 . 2]" 1
746 1 34 LEU HA 1 40 VAL MG2 . . 4.350 4.346 4.217 4.398 0.048 4 0 "[ . 1 . 2]" 1
747 1 34 LEU HA 1 44 ILE MD . . 4.200 4.149 3.864 4.228 0.028 12 0 "[ . 1 . 2]" 1
748 1 34 LEU HA 1 44 ILE MG . . 4.550 3.360 3.000 3.681 . 0 0 "[ . 1 . 2]" 1
749 1 34 LEU HB2 1 44 ILE MG . . 4.250 2.437 2.134 3.069 . 0 0 "[ . 1 . 2]" 1
750 1 34 LEU HB3 1 35 LYS H . . 3.330 2.718 2.471 2.940 . 0 0 "[ . 1 . 2]" 1
751 1 34 LEU HB3 1 35 LYS HA . . 4.100 4.164 4.111 4.226 0.126 16 0 "[ . 1 . 2]" 1
752 1 34 LEU HB3 1 36 ASP H . . 5.410 4.989 4.826 5.137 . 0 0 "[ . 1 . 2]" 1
753 1 34 LEU QD 1 35 LYS H . . 4.280 3.992 3.631 4.281 0.001 16 0 "[ . 1 . 2]" 1
754 1 34 LEU QD 1 35 LYS HA . . 5.440 4.225 3.480 4.862 . 0 0 "[ . 1 . 2]" 1
755 1 34 LEU QD 1 37 ASP HB2 . . 5.440 5.360 5.166 5.597 0.157 15 0 "[ . 1 . 2]" 1
756 1 34 LEU QD 1 38 PRO HA . . 3.850 2.276 2.074 2.697 . 0 0 "[ . 1 . 2]" 1
757 1 34 LEU QD 1 40 VAL H . . 4.820 4.491 4.351 4.580 . 0 0 "[ . 1 . 2]" 1
758 1 34 LEU QD 1 41 SER H . . 3.960 3.705 3.552 3.847 . 0 0 "[ . 1 . 2]" 1
759 1 34 LEU QD 1 41 SER HA . . 3.260 2.137 2.011 2.264 . 0 0 "[ . 1 . 2]" 1
760 1 34 LEU QD 1 41 SER QB . . 3.240 2.521 2.149 2.995 . 0 0 "[ . 1 . 2]" 1
761 1 34 LEU QD 1 44 ILE H . . 4.400 4.083 3.994 4.263 . 0 0 "[ . 1 . 2]" 1
762 1 34 LEU QD 1 44 ILE HB . . 3.860 2.336 2.199 2.581 . 0 0 "[ . 1 . 2]" 1
763 1 34 LEU QD 1 44 ILE HG12 . . 4.360 3.547 3.246 3.901 . 0 0 "[ . 1 . 2]" 1
764 1 34 LEU QD 1 44 ILE HG13 . . 5.190 2.643 2.459 2.955 . 0 0 "[ . 1 . 2]" 1
765 1 34 LEU QD 1 45 LEU H . . 4.640 3.893 3.624 4.226 . 0 0 "[ . 1 . 2]" 1
766 1 34 LEU MD1 1 38 PRO HA . . 4.690 2.294 2.076 2.712 . 0 0 "[ . 1 . 2]" 1
767 1 34 LEU MD2 1 38 PRO HA . . 4.690 4.136 3.198 4.816 0.126 5 0 "[ . 1 . 2]" 1
768 1 34 LEU HG 1 35 LYS H . . 5.400 4.729 4.084 5.207 . 0 0 "[ . 1 . 2]" 1
769 1 34 LEU HG 1 44 ILE MG . . 5.500 4.108 3.723 4.446 . 0 0 "[ . 1 . 2]" 1
770 1 35 LYS H 1 35 LYS HB2 . . 2.900 2.638 2.515 2.754 . 0 0 "[ . 1 . 2]" 1
771 1 35 LYS H 1 35 LYS HB3 . . 3.700 3.664 3.617 3.697 . 0 0 "[ . 1 . 2]" 1
772 1 35 LYS H 1 35 LYS HG2 . . 3.490 3.407 3.024 3.525 0.035 5 0 "[ . 1 . 2]" 1
773 1 35 LYS H 1 35 LYS HG3 . . 3.640 2.206 2.103 2.325 . 0 0 "[ . 1 . 2]" 1
774 1 35 LYS H 1 36 ASP H . . 2.960 2.532 2.405 2.717 . 0 0 "[ . 1 . 2]" 1
775 1 35 LYS H 1 36 ASP HA . . 5.500 5.249 5.170 5.398 . 0 0 "[ . 1 . 2]" 1
776 1 35 LYS HA 1 35 LYS HB3 . . 2.990 2.452 2.361 2.500 . 0 0 "[ . 1 . 2]" 1
777 1 35 LYS HA 1 35 LYS QD . . 4.990 4.102 4.020 4.267 . 0 0 "[ . 1 . 2]" 1
778 1 35 LYS HA 1 35 LYS HG2 . . 4.120 2.683 2.542 2.851 . 0 0 "[ . 1 . 2]" 1
779 1 35 LYS HA 1 35 LYS HG3 . . 3.470 3.197 3.058 3.431 . 0 0 "[ . 1 . 2]" 1
780 1 35 LYS HB2 1 35 LYS QD . . 3.810 2.436 2.204 3.157 . 0 0 "[ . 1 . 2]" 1
781 1 35 LYS HB2 1 36 ASP H . . 3.200 2.616 2.435 2.897 . 0 0 "[ . 1 . 2]" 1
782 1 35 LYS HB3 1 35 LYS QD . . 3.690 2.431 2.313 2.654 . 0 0 "[ . 1 . 2]" 1
783 1 35 LYS HB3 1 35 LYS QE . . 4.660 3.898 3.341 4.185 . 0 0 "[ . 1 . 2]" 1
784 1 35 LYS QD 1 36 ASP H . . 5.500 4.655 4.336 5.498 . 0 0 "[ . 1 . 2]" 1
785 1 35 LYS HG2 1 36 ASP H . . 5.260 4.936 4.832 5.047 . 0 0 "[ . 1 . 2]" 1
786 1 35 LYS HG3 1 36 ASP H . . 4.110 4.138 4.064 4.189 0.079 10 0 "[ . 1 . 2]" 1
787 1 36 ASP H 1 36 ASP QB . . 2.760 2.194 2.093 2.314 . 0 0 "[ . 1 . 2]" 1
788 1 36 ASP H 1 37 ASP H . . 3.130 2.797 2.595 2.968 . 0 0 "[ . 1 . 2]" 1
789 1 36 ASP HA 1 37 ASP HB2 . . 5.500 5.534 5.506 5.582 0.082 17 0 "[ . 1 . 2]" 1
790 1 36 ASP QB 1 37 ASP H . . 3.220 2.682 2.410 2.926 . 0 0 "[ . 1 . 2]" 1
791 1 37 ASP H 1 37 ASP HB2 . . 3.430 2.636 2.540 2.821 . 0 0 "[ . 1 . 2]" 1
792 1 37 ASP H 1 37 ASP HB3 . . 3.880 3.779 3.728 3.886 0.006 2 0 "[ . 1 . 2]" 1
793 1 37 ASP H 1 38 PRO QD . . 3.640 3.146 2.966 3.262 . 0 0 "[ . 1 . 2]" 1
794 1 37 ASP H 1 40 VAL MG2 . . 4.390 4.375 4.194 4.451 0.061 17 0 "[ . 1 . 2]" 1
795 1 37 ASP HA 1 38 PRO HD2 . . 3.280 2.235 2.135 2.626 . 0 0 "[ . 1 . 2]" 1
796 1 37 ASP HA 1 38 PRO QD . . 2.810 2.177 2.102 2.268 . 0 0 "[ . 1 . 2]" 1
797 1 37 ASP HA 1 38 PRO HD3 . . 3.280 3.111 2.479 3.289 0.009 8 0 "[ . 1 . 2]" 1
798 1 37 ASP HA 1 39 SER H . . 3.880 3.342 3.060 3.569 . 0 0 "[ . 1 . 2]" 1
799 1 37 ASP HB2 1 40 VAL H . . 4.550 4.467 4.201 4.584 0.034 6 0 "[ . 1 . 2]" 1
800 1 37 ASP HB2 1 40 VAL MG1 . . 4.700 4.378 4.006 4.711 0.011 17 0 "[ . 1 . 2]" 1
801 1 37 ASP HB2 1 40 VAL MG2 . . 3.490 2.702 2.407 2.810 . 0 0 "[ . 1 . 2]" 1
802 1 37 ASP HB2 1 44 ILE HG12 . . 5.500 5.352 4.816 5.533 0.033 19 0 "[ . 1 . 2]" 1
803 1 37 ASP HB3 1 40 VAL MG1 . . 4.470 3.311 2.928 3.902 . 0 0 "[ . 1 . 2]" 1
804 1 37 ASP HB3 1 40 VAL MG2 . . 4.000 2.260 2.111 2.468 . 0 0 "[ . 1 . 2]" 1
805 1 38 PRO HA 1 40 VAL H . . 4.230 3.619 3.273 3.905 . 0 0 "[ . 1 . 2]" 1
806 1 38 PRO HA 1 41 SER H . . 4.360 3.630 3.192 4.015 . 0 0 "[ . 1 . 2]" 1
807 1 38 PRO HA 1 41 SER QB . . 4.930 3.723 3.107 4.458 . 0 0 "[ . 1 . 2]" 1
808 1 38 PRO QB 1 39 SER H . . 3.790 3.618 3.349 3.757 . 0 0 "[ . 1 . 2]" 1
809 1 38 PRO QD 1 39 SER H . . 4.320 3.003 2.632 3.169 . 0 0 "[ . 1 . 2]" 1
810 1 38 PRO QG 1 39 SER H . . 4.090 2.960 2.720 4.014 . 0 0 "[ . 1 . 2]" 1
811 1 39 SER H 1 39 SER QB . . 2.940 2.423 2.134 2.620 . 0 0 "[ . 1 . 2]" 1
812 1 39 SER H 1 40 VAL H . . 2.920 2.696 2.509 2.811 . 0 0 "[ . 1 . 2]" 1
813 1 39 SER H 1 40 VAL MG1 . . 4.810 4.325 4.112 4.609 . 0 0 "[ . 1 . 2]" 1
814 1 39 SER H 1 40 VAL MG2 . . 4.200 4.137 3.820 4.232 0.032 14 0 "[ . 1 . 2]" 1
815 1 39 SER H 1 41 SER H . . 4.400 4.373 4.169 4.448 0.048 4 0 "[ . 1 . 2]" 1
816 1 39 SER HA 1 41 SER H . . 4.060 3.774 3.413 4.031 . 0 0 "[ . 1 . 2]" 1
817 1 39 SER HA 1 42 LYS QD . . 5.010 4.649 4.040 5.026 0.016 17 0 "[ . 1 . 2]" 1
818 1 39 SER QB 1 40 VAL H . . 3.940 3.288 2.869 3.815 . 0 0 "[ . 1 . 2]" 1
819 1 39 SER QB 1 40 VAL MG1 . . 4.760 3.179 2.836 3.742 . 0 0 "[ . 1 . 2]" 1
820 1 39 SER QB 1 40 VAL MG2 . . 4.660 4.267 3.871 4.683 0.023 4 0 "[ . 1 . 2]" 1
821 1 40 VAL H 1 40 VAL HB . . 3.840 3.814 3.730 3.875 0.035 2 0 "[ . 1 . 2]" 1
822 1 40 VAL H 1 40 VAL MG1 . . 3.260 2.793 2.553 3.037 . 0 0 "[ . 1 . 2]" 1
823 1 40 VAL H 1 40 VAL MG2 . . 2.750 2.351 2.171 2.465 . 0 0 "[ . 1 . 2]" 1
824 1 40 VAL H 1 41 SER H . . 2.980 2.630 2.527 2.826 . 0 0 "[ . 1 . 2]" 1
825 1 40 VAL H 1 42 LYS H . . 5.150 5.170 5.046 5.237 0.087 9 0 "[ . 1 . 2]" 1
826 1 40 VAL H 1 42 LYS QD . . 5.500 4.771 4.468 5.290 . 0 0 "[ . 1 . 2]" 1
827 1 40 VAL HA 1 40 VAL MG1 . . 3.270 2.332 2.231 2.377 . 0 0 "[ . 1 . 2]" 1
828 1 40 VAL HA 1 41 SER H . . 3.450 3.011 2.915 3.113 . 0 0 "[ . 1 . 2]" 1
829 1 40 VAL HA 1 42 LYS H . . 3.880 3.508 3.355 3.690 . 0 0 "[ . 1 . 2]" 1
830 1 40 VAL HA 1 43 GLU H . . 3.960 3.498 3.207 3.606 . 0 0 "[ . 1 . 2]" 1
831 1 40 VAL HB 1 41 SER H . . 4.870 4.538 4.494 4.575 . 0 0 "[ . 1 . 2]" 1
832 1 40 VAL HB 1 42 LYS QD . . 4.750 4.438 4.121 4.774 0.024 17 0 "[ . 1 . 2]" 1
833 1 40 VAL HB 1 43 GLU H . . 4.430 3.467 3.386 3.587 . 0 0 "[ . 1 . 2]" 1
834 1 40 VAL HB 1 43 GLU HB3 . . 4.420 3.903 3.717 4.063 . 0 0 "[ . 1 . 2]" 1
835 1 40 VAL HB 1 43 GLU HG2 . . 3.800 3.072 2.417 3.718 . 0 0 "[ . 1 . 2]" 1
836 1 40 VAL HB 1 44 ILE H . . 4.230 3.988 3.623 4.219 . 0 0 "[ . 1 . 2]" 1
837 1 40 VAL HB 1 44 ILE HG12 . . 4.920 3.641 3.027 3.983 . 0 0 "[ . 1 . 2]" 1
838 1 40 VAL MG1 1 41 SER H . . 4.900 4.400 4.280 4.479 . 0 0 "[ . 1 . 2]" 1
839 1 40 VAL MG1 1 42 LYS HB2 . . 5.500 5.524 5.475 5.556 0.056 20 0 "[ . 1 . 2]" 1
840 1 40 VAL MG1 1 42 LYS QE . . 5.110 4.162 3.437 4.953 . 0 0 "[ . 1 . 2]" 1
841 1 40 VAL MG1 1 43 GLU H . . 4.720 4.666 4.410 4.733 0.013 5 0 "[ . 1 . 2]" 1
842 1 40 VAL MG1 1 43 GLU HG2 . . 4.370 3.821 3.158 4.385 0.015 13 0 "[ . 1 . 2]" 1
843 1 40 VAL MG2 1 41 SER H . . 4.030 3.751 3.655 3.855 . 0 0 "[ . 1 . 2]" 1
844 1 40 VAL MG2 1 41 SER HA . . 4.690 4.109 3.868 4.423 . 0 0 "[ . 1 . 2]" 1
845 1 40 VAL MG2 1 43 GLU HB2 . . 4.650 3.345 3.029 3.619 . 0 0 "[ . 1 . 2]" 1
846 1 40 VAL MG2 1 43 GLU HB3 . . 5.500 4.574 4.113 4.920 . 0 0 "[ . 1 . 2]" 1
847 1 40 VAL MG2 1 43 GLU HG2 . . 5.500 4.551 4.031 5.067 . 0 0 "[ . 1 . 2]" 1
848 1 40 VAL MG2 1 43 GLU HG3 . . 4.620 4.318 4.060 4.632 0.012 12 0 "[ . 1 . 2]" 1
849 1 40 VAL MG2 1 44 ILE HB . . 4.150 4.123 3.894 4.189 0.039 8 0 "[ . 1 . 2]" 1
850 1 40 VAL MG2 1 44 ILE HG12 . . 3.290 2.197 2.084 2.325 . 0 0 "[ . 1 . 2]" 1
851 1 40 VAL MG2 1 44 ILE HG13 . . 3.560 2.822 2.408 3.140 . 0 0 "[ . 1 . 2]" 1
852 1 41 SER H 1 41 SER QB . . 2.930 2.437 2.325 2.564 . 0 0 "[ . 1 . 2]" 1
853 1 41 SER H 1 42 LYS H . . 3.370 2.985 2.885 3.073 . 0 0 "[ . 1 . 2]" 1
854 1 41 SER H 1 43 GLU H . . 5.040 4.433 4.345 4.536 . 0 0 "[ . 1 . 2]" 1
855 1 41 SER H 1 44 ILE H . . 5.500 4.861 4.692 4.964 . 0 0 "[ . 1 . 2]" 1
856 1 41 SER H 1 44 ILE HB . . 5.100 5.012 4.839 5.125 0.025 20 0 "[ . 1 . 2]" 1
857 1 41 SER HA 1 44 ILE HB . . 3.370 2.653 2.422 2.908 . 0 0 "[ . 1 . 2]" 1
858 1 41 SER HA 1 44 ILE HG13 . . 3.830 3.673 3.474 3.844 0.014 20 0 "[ . 1 . 2]" 1
859 1 41 SER QB 1 42 LYS H . . 3.580 3.110 2.587 3.550 . 0 0 "[ . 1 . 2]" 1
860 1 41 SER QB 1 43 GLU H . . 5.340 4.959 4.649 5.161 . 0 0 "[ . 1 . 2]" 1
861 1 42 LYS H 1 42 LYS HB2 . . 3.180 2.894 2.828 3.064 . 0 0 "[ . 1 . 2]" 1
862 1 42 LYS H 1 42 LYS HB3 . . 3.590 3.580 3.521 3.616 0.026 17 0 "[ . 1 . 2]" 1
863 1 42 LYS H 1 42 LYS QD . . 5.500 1.857 1.681 2.327 . 0 0 "[ . 1 . 2]" 1
864 1 42 LYS H 1 42 LYS HG2 . . 4.290 3.570 3.488 3.641 . 0 0 "[ . 1 . 2]" 1
865 1 42 LYS H 1 42 LYS QG . . 3.480 2.296 2.132 2.461 . 0 0 "[ . 1 . 2]" 1
866 1 42 LYS H 1 42 LYS HG3 . . 4.290 2.325 2.150 2.504 . 0 0 "[ . 1 . 2]" 1
867 1 42 LYS H 1 43 GLU H . . 2.920 2.760 2.711 2.812 . 0 0 "[ . 1 . 2]" 1
868 1 42 LYS H 1 43 GLU HA . . 5.380 5.413 5.392 5.447 0.067 7 0 "[ . 1 . 2]" 1
869 1 42 LYS H 1 43 GLU HG2 . . 5.500 4.274 3.898 4.894 . 0 0 "[ . 1 . 2]" 1
870 1 42 LYS H 1 45 LEU QD . . 4.750 4.466 4.107 4.948 0.198 20 0 "[ . 1 . 2]" 1
871 1 42 LYS HA 1 42 LYS QD . . 4.060 3.858 3.719 4.078 0.018 17 0 "[ . 1 . 2]" 1
872 1 42 LYS HA 1 42 LYS HG2 . . 3.730 3.695 3.510 3.760 0.030 10 0 "[ . 1 . 2]" 1
873 1 42 LYS HA 1 42 LYS QG . . 3.240 2.714 2.645 2.824 . 0 0 "[ . 1 . 2]" 1
874 1 42 LYS HA 1 42 LYS HG3 . . 3.730 2.793 2.707 2.919 . 0 0 "[ . 1 . 2]" 1
875 1 42 LYS HA 1 44 ILE H . . 4.660 4.660 4.587 4.691 0.031 16 0 "[ . 1 . 2]" 1
876 1 42 LYS HA 1 45 LEU H . . 4.020 3.885 3.702 4.037 0.017 8 0 "[ . 1 . 2]" 1
877 1 42 LYS HA 1 45 LEU HB2 . . 3.930 2.880 2.623 3.319 . 0 0 "[ . 1 . 2]" 1
878 1 42 LYS HA 1 45 LEU QD . . 4.100 3.022 2.557 3.600 . 0 0 "[ . 1 . 2]" 1
879 1 42 LYS HB2 1 42 LYS QE . . 3.050 2.357 2.079 2.602 . 0 0 "[ . 1 . 2]" 1
880 1 42 LYS HB2 1 43 GLU H . . 4.090 2.675 2.499 2.818 . 0 0 "[ . 1 . 2]" 1
881 1 42 LYS HB2 1 43 GLU HA . . 4.250 4.009 3.731 4.147 . 0 0 "[ . 1 . 2]" 1
882 1 42 LYS HB2 1 43 GLU HB2 . . 4.850 4.694 4.469 4.874 0.024 4 0 "[ . 1 . 2]" 1
883 1 42 LYS HB2 1 43 GLU HG2 . . 4.540 2.898 2.604 3.153 . 0 0 "[ . 1 . 2]" 1
884 1 42 LYS HB3 1 42 LYS QE . . 4.280 3.389 2.908 3.606 . 0 0 "[ . 1 . 2]" 1
885 1 42 LYS HB3 1 43 GLU H . . 4.000 3.914 3.821 4.010 0.010 12 0 "[ . 1 . 2]" 1
886 1 42 LYS QD 1 43 GLU HA . . 5.500 5.544 5.507 5.592 0.092 8 0 "[ . 1 . 2]" 1
887 1 42 LYS QE 1 43 GLU HB2 . . 5.500 5.343 4.552 5.556 0.056 11 0 "[ . 1 . 2]" 1
888 1 42 LYS QE 1 43 GLU HG2 . . 5.250 3.340 2.206 4.106 . 0 0 "[ . 1 . 2]" 1
889 1 42 LYS QG 1 43 GLU H . . 5.340 4.185 4.056 4.288 . 0 0 "[ . 1 . 2]" 1
890 1 42 LYS QG 1 43 GLU HG2 . . 5.340 4.829 4.605 5.215 . 0 0 "[ . 1 . 2]" 1
891 1 42 LYS QG 1 45 LEU QD . . 5.140 4.368 3.980 4.851 . 0 0 "[ . 1 . 2]" 1
892 1 43 GLU H 1 43 GLU HB2 . . 3.410 2.534 2.306 2.713 . 0 0 "[ . 1 . 2]" 1
893 1 43 GLU H 1 43 GLU HB3 . . 3.950 3.619 3.583 3.671 . 0 0 "[ . 1 . 2]" 1
894 1 43 GLU H 1 43 GLU HG2 . . 2.760 2.318 2.032 2.764 0.004 13 0 "[ . 1 . 2]" 1
895 1 43 GLU H 1 43 GLU HG3 . . 3.830 3.668 3.504 3.827 . 0 0 "[ . 1 . 2]" 1
896 1 43 GLU H 1 46 ALA MB . . 5.500 4.581 4.455 4.752 . 0 0 "[ . 1 . 2]" 1
897 1 43 GLU HA 1 43 GLU HG2 . . 3.670 3.249 2.878 3.561 . 0 0 "[ . 1 . 2]" 1
898 1 43 GLU HA 1 43 GLU HG3 . . 4.060 3.861 3.695 4.035 . 0 0 "[ . 1 . 2]" 1
899 1 43 GLU HA 1 45 LEU H . . 4.520 4.456 4.324 4.549 0.029 10 0 "[ . 1 . 2]" 1
900 1 43 GLU HA 1 46 ALA MB . . 3.230 2.366 2.183 2.649 . 0 0 "[ . 1 . 2]" 1
901 1 43 GLU HA 1 47 GLU H . . 5.020 4.218 3.954 4.522 . 0 0 "[ . 1 . 2]" 1
902 1 43 GLU HB2 1 44 ILE H . . 3.750 2.757 2.644 2.862 . 0 0 "[ . 1 . 2]" 1
903 1 43 GLU HB3 1 44 ILE H . . 4.310 3.862 3.558 4.066 . 0 0 "[ . 1 . 2]" 1
904 1 43 GLU HG3 1 44 ILE H . . 4.940 4.937 4.658 5.041 0.101 5 0 "[ . 1 . 2]" 1
905 1 44 ILE H 1 44 ILE HB . . 2.730 2.404 2.269 2.479 . 0 0 "[ . 1 . 2]" 1
906 1 44 ILE H 1 44 ILE MD . . 4.300 3.381 3.065 3.739 . 0 0 "[ . 1 . 2]" 1
907 1 44 ILE H 1 44 ILE HG12 . . 2.980 2.247 2.180 2.320 . 0 0 "[ . 1 . 2]" 1
908 1 44 ILE H 1 44 ILE HG13 . . 3.750 3.621 3.446 3.722 . 0 0 "[ . 1 . 2]" 1
909 1 44 ILE H 1 44 ILE MG . . 3.780 3.751 3.689 3.788 0.008 2 0 "[ . 1 . 2]" 1
910 1 44 ILE H 1 45 LEU QD . . 5.240 5.031 4.220 5.247 0.007 8 0 "[ . 1 . 2]" 1
911 1 44 ILE H 1 47 GLU H . . 5.240 4.884 4.714 5.109 . 0 0 "[ . 1 . 2]" 1
912 1 44 ILE HA 1 44 ILE MD . . 3.510 2.212 2.138 2.354 . 0 0 "[ . 1 . 2]" 1
913 1 44 ILE HA 1 44 ILE HG12 . . 3.750 3.142 2.918 3.294 . 0 0 "[ . 1 . 2]" 1
914 1 44 ILE HA 1 44 ILE HG13 . . 3.850 3.798 3.772 3.829 . 0 0 "[ . 1 . 2]" 1
915 1 44 ILE HA 1 44 ILE MG . . 3.210 2.441 2.392 2.564 . 0 0 "[ . 1 . 2]" 1
916 1 44 ILE HA 1 46 ALA MB . . 5.370 4.847 4.666 5.140 . 0 0 "[ . 1 . 2]" 1
917 1 44 ILE HA 1 47 GLU H . . 3.950 3.506 3.295 3.921 . 0 0 "[ . 1 . 2]" 1
918 1 44 ILE HA 1 47 GLU QB . . 3.460 2.869 2.453 3.175 . 0 0 "[ . 1 . 2]" 1
919 1 44 ILE HB 1 44 ILE MD . . 3.530 3.299 3.282 3.311 . 0 0 "[ . 1 . 2]" 1
920 1 44 ILE HB 1 45 LEU H . . 3.570 2.687 2.596 2.772 . 0 0 "[ . 1 . 2]" 1
921 1 44 ILE MD 1 47 GLU QG . . 5.500 4.959 4.334 5.482 . 0 0 "[ . 1 . 2]" 1
922 1 44 ILE HG12 1 45 LEU H . . 5.300 4.366 4.298 4.442 . 0 0 "[ . 1 . 2]" 1
923 1 44 ILE MG 1 45 LEU H . . 4.060 3.464 3.351 3.589 . 0 0 "[ . 1 . 2]" 1
924 1 44 ILE MG 1 47 GLU QB . . 4.670 3.976 3.541 4.549 . 0 0 "[ . 1 . 2]" 1
925 1 44 ILE MG 1 48 ALA H . . 4.440 4.303 4.004 4.455 0.015 16 0 "[ . 1 . 2]" 1
926 1 44 ILE MG 1 48 ALA MB . . 4.190 3.733 3.534 3.899 . 0 0 "[ . 1 . 2]" 1
927 1 45 LEU H 1 45 LEU HA . . 2.940 2.864 2.841 2.879 . 0 0 "[ . 1 . 2]" 1
928 1 45 LEU H 1 45 LEU HB2 . . 2.700 2.206 2.145 2.326 . 0 0 "[ . 1 . 2]" 1
929 1 45 LEU H 1 45 LEU HB3 . . 3.510 3.508 3.462 3.546 0.036 20 0 "[ . 1 . 2]" 1
930 1 45 LEU H 1 45 LEU QD . . 4.730 3.312 2.513 3.444 . 0 0 "[ . 1 . 2]" 1
931 1 45 LEU H 1 45 LEU HG . . 4.520 3.017 2.772 4.205 . 0 0 "[ . 1 . 2]" 1
932 1 45 LEU H 1 46 ALA H . . 2.980 2.782 2.736 2.830 . 0 0 "[ . 1 . 2]" 1
933 1 45 LEU H 1 46 ALA MB . . 4.390 4.393 4.360 4.409 0.019 9 0 "[ . 1 . 2]" 1
934 1 45 LEU H 1 47 GLU H . . 4.450 4.390 4.255 4.481 0.031 16 0 "[ . 1 . 2]" 1
935 1 45 LEU H 1 47 GLU QB . . 5.500 5.219 4.921 5.447 . 0 0 "[ . 1 . 2]" 1
936 1 45 LEU HA 1 45 LEU MD1 . . 3.720 3.706 2.160 3.797 0.077 9 0 "[ . 1 . 2]" 1
937 1 45 LEU HA 1 45 LEU QD . . 3.080 2.089 2.006 2.175 . 0 0 "[ . 1 . 2]" 1
938 1 45 LEU HA 1 45 LEU MD2 . . 3.720 2.180 2.014 3.785 0.065 15 0 "[ . 1 . 2]" 1
939 1 45 LEU HA 1 45 LEU HG . . 3.950 2.648 2.567 3.199 . 0 0 "[ . 1 . 2]" 1
940 1 45 LEU HA 1 46 ALA MB . . 5.500 5.055 5.035 5.075 . 0 0 "[ . 1 . 2]" 1
941 1 45 LEU HA 1 48 ALA H . . 3.830 3.641 3.470 3.775 . 0 0 "[ . 1 . 2]" 1
942 1 45 LEU HA 1 48 ALA MB . . 3.310 2.801 2.602 2.898 . 0 0 "[ . 1 . 2]" 1
943 1 45 LEU HB2 1 45 LEU QD . . 3.110 2.221 2.126 2.363 . 0 0 "[ . 1 . 2]" 1
944 1 45 LEU HB2 1 46 ALA H . . 3.250 2.818 2.695 2.956 . 0 0 "[ . 1 . 2]" 1
945 1 45 LEU HB2 1 46 ALA MB . . 4.690 4.235 4.116 4.345 . 0 0 "[ . 1 . 2]" 1
946 1 45 LEU HB3 1 45 LEU QD . . 3.130 2.129 2.088 2.336 . 0 0 "[ . 1 . 2]" 1
947 1 45 LEU QD 1 46 ALA H . . 4.620 4.144 4.011 4.257 . 0 0 "[ . 1 . 2]" 1
948 1 45 LEU QD 1 48 ALA MB . . 4.420 3.296 3.105 3.838 . 0 0 "[ . 1 . 2]" 1
949 1 45 LEU QD 1 49 LYS QD . . 3.410 3.261 2.262 4.064 0.654 1 1 "[+ . 1 . 2]" 1
950 1 45 LEU QD 1 49 LYS QE . . 3.650 2.801 2.075 4.034 0.384 12 0 "[ . 1 . 2]" 1
951 1 45 LEU QD 1 49 LYS HG2 . . 4.600 4.321 3.882 5.382 0.782 15 1 "[ . 1 + 2]" 1
952 1 45 LEU QD 1 49 LYS HG3 . . 4.020 3.387 3.043 4.552 0.532 15 1 "[ . 1 + 2]" 1
953 1 45 LEU MD1 1 46 ALA H . . 5.430 4.600 4.426 4.744 . 0 0 "[ . 1 . 2]" 1
954 1 45 LEU MD2 1 46 ALA H . . 5.430 4.709 4.589 4.816 . 0 0 "[ . 1 . 2]" 1
955 1 46 ALA H 1 46 ALA MB . . 2.510 2.196 2.170 2.222 . 0 0 "[ . 1 . 2]" 1
956 1 46 ALA H 1 47 GLU H . . 3.040 2.869 2.687 2.964 . 0 0 "[ . 1 . 2]" 1
957 1 46 ALA H 1 47 GLU QB . . 4.750 4.650 4.334 4.760 0.010 14 0 "[ . 1 . 2]" 1
958 1 46 ALA H 1 47 GLU QG . . 5.500 5.498 5.400 5.600 0.100 16 0 "[ . 1 . 2]" 1
959 1 46 ALA H 1 49 LYS QD . . 4.190 4.007 3.630 4.214 0.024 16 0 "[ . 1 . 2]" 1
960 1 46 ALA HA 1 49 LYS H . . 3.840 3.596 3.394 3.828 . 0 0 "[ . 1 . 2]" 1
961 1 46 ALA HA 1 49 LYS HB2 . . 4.180 2.517 2.247 2.697 . 0 0 "[ . 1 . 2]" 1
962 1 46 ALA HA 1 49 LYS HB3 . . 4.230 4.042 3.756 4.183 . 0 0 "[ . 1 . 2]" 1
963 1 46 ALA HA 1 49 LYS QD . . 3.910 2.599 2.219 3.040 . 0 0 "[ . 1 . 2]" 1
964 1 46 ALA HA 1 49 LYS QE . . 4.930 4.176 3.166 4.872 . 0 0 "[ . 1 . 2]" 1
965 1 46 ALA MB 1 47 GLU H . . 2.920 2.659 2.531 2.763 . 0 0 "[ . 1 . 2]" 1
966 1 46 ALA MB 1 47 GLU QB . . 4.790 4.184 3.989 4.360 . 0 0 "[ . 1 . 2]" 1
967 1 46 ALA MB 1 47 GLU QG . . 4.510 3.948 3.642 4.317 . 0 0 "[ . 1 . 2]" 1
968 1 46 ALA MB 1 49 LYS HB2 . . 4.370 4.093 3.878 4.279 . 0 0 "[ . 1 . 2]" 1
969 1 47 GLU H 1 47 GLU HA . . 2.930 2.874 2.833 2.899 . 0 0 "[ . 1 . 2]" 1
970 1 47 GLU H 1 47 GLU QB . . 2.650 2.169 2.078 2.240 . 0 0 "[ . 1 . 2]" 1
971 1 47 GLU H 1 47 GLU QG . . 3.190 3.072 2.885 3.345 0.155 16 0 "[ . 1 . 2]" 1
972 1 47 GLU H 1 48 ALA H . . 3.000 2.792 2.728 2.882 . 0 0 "[ . 1 . 2]" 1
973 1 47 GLU H 1 48 ALA MB . . 4.590 4.376 4.338 4.446 . 0 0 "[ . 1 . 2]" 1
974 1 47 GLU H 1 49 LYS H . . 3.950 3.983 3.947 4.006 0.056 10 0 "[ . 1 . 2]" 1
975 1 47 GLU H 1 49 LYS HB2 . . 4.990 4.905 4.845 5.003 0.013 18 0 "[ . 1 . 2]" 1
976 1 47 GLU H 1 49 LYS QD . . 5.340 5.319 5.146 5.399 0.059 15 0 "[ . 1 . 2]" 1
977 1 47 GLU H 1 50 LYS QD . . 5.500 5.488 5.252 5.559 0.059 9 0 "[ . 1 . 2]" 1
978 1 47 GLU H 1 50 LYS QE . . 5.500 5.352 5.033 5.624 0.124 5 0 "[ . 1 . 2]" 1
979 1 47 GLU HA 1 47 GLU QG . . 3.720 2.095 2.016 2.168 . 0 0 "[ . 1 . 2]" 1
980 1 47 GLU HA 1 50 LYS H . . 4.090 3.507 3.295 3.800 . 0 0 "[ . 1 . 2]" 1
981 1 47 GLU HA 1 50 LYS QB . . 3.820 2.851 2.264 3.951 0.131 5 0 "[ . 1 . 2]" 1
982 1 47 GLU HA 1 50 LYS QD . . 4.010 3.147 2.878 3.278 . 0 0 "[ . 1 . 2]" 1
983 1 47 GLU HA 1 50 LYS QE . . 5.280 2.667 2.330 3.003 . 0 0 "[ . 1 . 2]" 1
984 1 47 GLU HA 1 51 LEU HB2 . . 4.860 4.826 4.711 4.891 0.031 16 0 "[ . 1 . 2]" 1
985 1 47 GLU QB 1 48 ALA H . . 3.030 2.649 2.436 2.883 . 0 0 "[ . 1 . 2]" 1
986 1 47 GLU QB 1 50 LYS H . . 5.500 5.059 4.970 5.214 . 0 0 "[ . 1 . 2]" 1
987 1 47 GLU QB 1 50 LYS QD . . 5.230 4.786 4.354 5.103 . 0 0 "[ . 1 . 2]" 1
988 1 47 GLU QB 1 50 LYS QE . . 5.020 3.831 3.486 4.239 . 0 0 "[ . 1 . 2]" 1
989 1 47 GLU QB 1 51 LEU H . . 5.140 4.729 4.615 4.848 . 0 0 "[ . 1 . 2]" 1
990 1 47 GLU QB 1 51 LEU MD2 . . 5.500 5.558 5.525 5.596 0.096 15 0 "[ . 1 . 2]" 1
991 1 47 GLU QB 1 51 LEU HG . . 5.500 4.978 4.718 5.372 . 0 0 "[ . 1 . 2]" 1
992 1 47 GLU QG 1 48 ALA H . . 4.410 4.328 4.225 4.412 0.002 19 0 "[ . 1 . 2]" 1
993 1 47 GLU QG 1 48 ALA MB . . 5.500 5.415 5.291 5.478 . 0 0 "[ . 1 . 2]" 1
994 1 47 GLU QG 1 49 LYS H . . 5.500 5.568 5.531 5.632 0.132 16 0 "[ . 1 . 2]" 1
995 1 47 GLU QG 1 50 LYS QD . . 4.020 3.294 2.645 3.787 . 0 0 "[ . 1 . 2]" 1
996 1 47 GLU QG 1 51 LEU H . . 5.500 4.932 4.654 5.149 . 0 0 "[ . 1 . 2]" 1
997 1 47 GLU QG 1 51 LEU MD1 . . 4.530 3.404 2.839 3.919 . 0 0 "[ . 1 . 2]" 1
998 1 47 GLU QG 1 51 LEU MD2 . . 5.500 5.406 5.049 5.555 0.055 16 0 "[ . 1 . 2]" 1
999 1 48 ALA H 1 48 ALA MB . . 2.650 2.184 2.167 2.203 . 0 0 "[ . 1 . 2]" 1
1000 1 48 ALA H 1 49 LYS H . . 3.130 2.664 2.630 2.712 . 0 0 "[ . 1 . 2]" 1
1001 1 48 ALA H 1 50 LYS H . . 4.780 4.454 4.368 4.562 . 0 0 "[ . 1 . 2]" 1
1002 1 48 ALA H 1 51 LEU H . . 4.980 4.823 4.759 4.910 . 0 0 "[ . 1 . 2]" 1
1003 1 48 ALA H 1 51 LEU HB2 . . 5.060 4.998 4.807 5.065 0.005 7 0 "[ . 1 . 2]" 1
1004 1 48 ALA H 1 51 LEU MD1 . . 5.500 4.732 4.451 4.932 . 0 0 "[ . 1 . 2]" 1
1005 1 48 ALA HA 1 50 LYS H . . 5.220 4.831 4.690 4.995 . 0 0 "[ . 1 . 2]" 1
1006 1 48 ALA HA 1 50 LYS QE . . 5.440 5.126 4.916 5.347 . 0 0 "[ . 1 . 2]" 1
1007 1 48 ALA HA 1 51 LEU H . . 4.120 3.683 3.546 3.819 . 0 0 "[ . 1 . 2]" 1
1008 1 48 ALA HA 1 51 LEU HB2 . . 3.830 2.877 2.671 3.051 . 0 0 "[ . 1 . 2]" 1
1009 1 48 ALA HA 1 51 LEU HB3 . . 4.290 4.231 3.976 4.310 0.020 19 0 "[ . 1 . 2]" 1
1010 1 48 ALA HA 1 51 LEU MD1 . . 4.510 3.608 3.422 3.807 . 0 0 "[ . 1 . 2]" 1
1011 1 48 ALA HA 1 52 ASN H . . 4.340 4.008 3.902 4.180 . 0 0 "[ . 1 . 2]" 1
1012 1 48 ALA MB 1 49 LYS H . . 2.990 2.623 2.560 2.713 . 0 0 "[ . 1 . 2]" 1
1013 1 48 ALA MB 1 50 LYS H . . 5.310 4.785 4.691 4.897 . 0 0 "[ . 1 . 2]" 1
1014 1 48 ALA MB 1 51 LEU H . . 5.050 4.817 4.730 4.888 . 0 0 "[ . 1 . 2]" 1
1015 1 48 ALA MB 1 52 ASN H . . 4.810 4.647 4.575 4.772 . 0 0 "[ . 1 . 2]" 1
1016 1 49 LYS H 1 49 LYS HB2 . . 3.250 2.342 2.291 2.376 . 0 0 "[ . 1 . 2]" 1
1017 1 49 LYS H 1 49 LYS HG2 . . 4.350 3.966 3.874 4.083 . 0 0 "[ . 1 . 2]" 1
1018 1 49 LYS H 1 49 LYS HG3 . . 2.940 2.697 2.580 2.801 . 0 0 "[ . 1 . 2]" 1
1019 1 49 LYS H 1 50 LYS H . . 2.980 2.681 2.582 2.842 . 0 0 "[ . 1 . 2]" 1
1020 1 49 LYS H 1 51 LEU H . . 4.160 4.075 3.928 4.162 0.002 19 0 "[ . 1 . 2]" 1
1021 1 49 LYS HA 1 49 LYS HG2 . . 3.350 2.600 2.496 2.678 . 0 0 "[ . 1 . 2]" 1
1022 1 49 LYS HA 1 49 LYS HG3 . . 3.640 2.763 2.581 2.945 . 0 0 "[ . 1 . 2]" 1
1023 1 49 LYS HA 1 52 ASN H . . 3.770 3.467 3.375 3.654 . 0 0 "[ . 1 . 2]" 1
1024 1 49 LYS HA 1 52 ASN HB2 . . 3.890 3.653 3.481 3.863 . 0 0 "[ . 1 . 2]" 1
1025 1 49 LYS HA 1 52 ASN HB3 . . 3.260 2.681 2.479 2.898 . 0 0 "[ . 1 . 2]" 1
1026 1 49 LYS HB2 1 49 LYS QD . . 3.570 2.360 2.253 2.503 . 0 0 "[ . 1 . 2]" 1
1027 1 49 LYS HB2 1 50 LYS H . . 2.670 2.521 2.361 2.611 . 0 0 "[ . 1 . 2]" 1
1028 1 49 LYS HB2 1 52 ASN H . . 5.500 5.543 5.512 5.576 0.076 1 0 "[ . 1 . 2]" 1
1029 1 49 LYS HB3 1 50 LYS H . . 3.320 3.305 3.218 3.382 0.062 15 0 "[ . 1 . 2]" 1
1030 1 50 LYS H 1 50 LYS QG . . 4.730 3.569 2.260 4.005 . 0 0 "[ . 1 . 2]" 1
1031 1 50 LYS H 1 51 LEU H . . 3.000 2.877 2.812 2.974 . 0 0 "[ . 1 . 2]" 1
1032 1 50 LYS H 1 52 ASN H . . 4.930 4.201 4.122 4.306 . 0 0 "[ . 1 . 2]" 1
1033 1 50 LYS H 1 53 ASP H . . 4.980 4.648 4.584 4.760 . 0 0 "[ . 1 . 2]" 1
1034 1 50 LYS HA 1 52 ASN H . . 4.750 4.476 4.239 4.644 . 0 0 "[ . 1 . 2]" 1
1035 1 50 LYS HA 1 53 ASP H . . 4.410 3.337 3.155 3.500 . 0 0 "[ . 1 . 2]" 1
1036 1 50 LYS QB 1 50 LYS QE . . 4.110 2.236 1.951 2.864 . 0 0 "[ . 1 . 2]" 1
1037 1 50 LYS HB2 1 50 LYS QE . . 4.700 3.307 2.805 3.592 . 0 0 "[ . 1 . 2]" 1
1038 1 50 LYS HB3 1 50 LYS QE . . 4.700 2.518 1.963 3.929 . 0 0 "[ . 1 . 2]" 1
1039 1 50 LYS QD 1 51 LEU H . . 5.500 4.385 4.298 4.453 . 0 0 "[ . 1 . 2]" 1
1040 1 50 LYS QD 1 51 LEU HA . . 5.040 5.077 5.043 5.143 0.103 9 0 "[ . 1 . 2]" 1
1041 1 50 LYS QD 1 51 LEU MD1 . . 4.630 4.482 3.871 4.637 0.007 8 0 "[ . 1 . 2]" 1
1042 1 50 LYS QE 1 51 LEU HB2 . . 4.070 3.571 3.386 3.719 . 0 0 "[ . 1 . 2]" 1
1043 1 50 LYS QE 1 52 ASN H . . 5.500 5.024 4.882 5.181 . 0 0 "[ . 1 . 2]" 1
1044 1 50 LYS QE 1 53 ASP H . . 5.490 5.577 5.506 5.644 0.154 8 0 "[ . 1 . 2]" 1
1045 1 50 LYS QG 1 51 LEU H . . 4.650 3.301 2.322 3.725 . 0 0 "[ . 1 . 2]" 1
1046 1 50 LYS QG 1 51 LEU MD1 . . 4.840 4.596 3.457 4.869 0.029 3 0 "[ . 1 . 2]" 1
1047 1 50 LYS QG 1 51 LEU MD2 . . 5.180 4.683 4.170 5.107 . 0 0 "[ . 1 . 2]" 1
1048 1 51 LEU H 1 51 LEU HB2 . . 3.460 2.191 2.124 2.268 . 0 0 "[ . 1 . 2]" 1
1049 1 51 LEU H 1 51 LEU HB3 . . 3.580 3.520 3.487 3.563 . 0 0 "[ . 1 . 2]" 1
1050 1 51 LEU H 1 51 LEU MD1 . . 3.590 3.439 3.212 3.586 . 0 0 "[ . 1 . 2]" 1
1051 1 51 LEU H 1 51 LEU HG . . 3.660 3.015 2.788 3.235 . 0 0 "[ . 1 . 2]" 1
1052 1 51 LEU H 1 52 ASN H . . 3.030 2.681 2.526 2.745 . 0 0 "[ . 1 . 2]" 1
1053 1 51 LEU H 1 53 ASP H . . 4.280 3.997 3.916 4.106 . 0 0 "[ . 1 . 2]" 1
1054 1 51 LEU HA 1 51 LEU MD1 . . 3.920 3.754 3.707 3.808 . 0 0 "[ . 1 . 2]" 1
1055 1 51 LEU HA 1 51 LEU MD2 . . 3.150 2.255 2.117 2.570 . 0 0 "[ . 1 . 2]" 1
1056 1 51 LEU HA 1 51 LEU HG . . 3.260 2.412 2.258 2.585 . 0 0 "[ . 1 . 2]" 1
1057 1 51 LEU HA 1 54 ALA MB . . 3.740 2.350 2.230 2.521 . 0 0 "[ . 1 . 2]" 1
1058 1 51 LEU HB2 1 51 LEU MD1 . . 3.120 2.300 2.264 2.346 . 0 0 "[ . 1 . 2]" 1
1059 1 51 LEU HB2 1 52 ASN H . . 3.130 3.098 2.963 3.177 0.047 13 0 "[ . 1 . 2]" 1
1060 1 51 LEU HB2 1 54 ALA H . . 5.500 5.534 5.463 5.611 0.111 6 0 "[ . 1 . 2]" 1
1061 1 51 LEU HB3 1 51 LEU MD1 . . 3.300 2.660 2.560 2.837 . 0 0 "[ . 1 . 2]" 1
1062 1 51 LEU HB3 1 51 LEU MD2 . . 3.180 2.269 2.205 2.373 . 0 0 "[ . 1 . 2]" 1
1063 1 51 LEU HB3 1 52 ASN H . . 4.160 3.587 3.478 3.712 . 0 0 "[ . 1 . 2]" 1
1064 1 51 LEU MD2 1 54 ALA H . . 5.350 4.648 4.397 5.275 . 0 0 "[ . 1 . 2]" 1
1065 1 51 LEU MD2 1 54 ALA MB . . 3.970 2.841 2.573 3.580 . 0 0 "[ . 1 . 2]" 1
1066 1 51 LEU MD2 1 55 GLN HG2 . . 4.640 4.667 4.587 4.713 0.073 13 0 "[ . 1 . 2]" 1
1067 1 51 LEU MD2 1 55 GLN QG . . 4.000 3.463 3.347 3.558 . 0 0 "[ . 1 . 2]" 1
1068 1 51 LEU MD2 1 55 GLN HG3 . . 4.640 3.570 3.433 3.681 . 0 0 "[ . 1 . 2]" 1
1069 1 52 ASN H 1 52 ASN HB2 . . 2.870 2.575 2.475 2.661 . 0 0 "[ . 1 . 2]" 1
1070 1 52 ASN H 1 52 ASN HB3 . . 2.880 2.471 2.384 2.599 . 0 0 "[ . 1 . 2]" 1
1071 1 52 ASN H 1 53 ASP H . . 3.160 2.636 2.546 2.733 . 0 0 "[ . 1 . 2]" 1
1072 1 52 ASN H 1 54 ALA H . . 4.180 4.121 4.021 4.207 0.027 16 0 "[ . 1 . 2]" 1
1073 1 52 ASN HA 1 55 GLN H . . 4.310 3.454 3.338 3.617 . 0 0 "[ . 1 . 2]" 1
1074 1 52 ASN HA 1 55 GLN HB2 . . 4.210 2.922 2.725 3.043 . 0 0 "[ . 1 . 2]" 1
1075 1 52 ASN HA 1 56 ALA MB . . 5.340 4.906 4.574 5.214 . 0 0 "[ . 1 . 2]" 1
1076 1 52 ASN HB2 1 53 ASP H . . 4.100 4.058 3.952 4.119 0.019 14 0 "[ . 1 . 2]" 1
1077 1 52 ASN HB3 1 52 ASN HD21 . . 3.220 2.341 2.266 2.408 . 0 0 "[ . 1 . 2]" 1
1078 1 52 ASN HB3 1 52 ASN HD22 . . 3.860 3.540 3.500 3.580 . 0 0 "[ . 1 . 2]" 1
1079 1 52 ASN HB3 1 53 ASP H . . 2.940 2.848 2.638 2.952 0.012 8 0 "[ . 1 . 2]" 1
1080 1 52 ASN HD21 1 53 ASP H . . 4.390 3.522 3.200 3.742 . 0 0 "[ . 1 . 2]" 1
1081 1 52 ASN HD21 1 53 ASP HA . . 4.490 3.435 2.944 3.655 . 0 0 "[ . 1 . 2]" 1
1082 1 52 ASN HD21 1 55 GLN H . . 5.500 5.571 5.525 5.609 0.109 17 0 "[ . 1 . 2]" 1
1083 1 52 ASN HD22 1 53 ASP H . . 5.500 5.124 4.851 5.327 . 0 0 "[ . 1 . 2]" 1
1084 1 53 ASP H 1 53 ASP QB . . 2.730 2.195 2.056 2.381 . 0 0 "[ . 1 . 2]" 1
1085 1 53 ASP H 1 54 ALA H . . 2.990 2.576 2.442 2.659 . 0 0 "[ . 1 . 2]" 1
1086 1 53 ASP H 1 54 ALA HA . . 5.260 5.277 5.178 5.319 0.059 19 0 "[ . 1 . 2]" 1
1087 1 53 ASP H 1 54 ALA MB . . 4.350 4.210 4.083 4.324 . 0 0 "[ . 1 . 2]" 1
1088 1 53 ASP H 1 55 GLN H . . 4.800 3.986 3.881 4.104 . 0 0 "[ . 1 . 2]" 1
1089 1 53 ASP HA 1 56 ALA H . . 3.690 3.285 3.063 3.565 . 0 0 "[ . 1 . 2]" 1
1090 1 53 ASP HA 1 56 ALA MB . . 3.850 2.407 2.262 2.625 . 0 0 "[ . 1 . 2]" 1
1091 1 53 ASP QB 1 54 ALA H . . 3.170 2.945 2.604 3.182 0.012 6 0 "[ . 1 . 2]" 1
1092 1 54 ALA H 1 54 ALA MB . . 2.570 2.202 2.158 2.253 . 0 0 "[ . 1 . 2]" 1
1093 1 54 ALA H 1 55 GLN H . . 3.110 2.614 2.513 2.711 . 0 0 "[ . 1 . 2]" 1
1094 1 54 ALA H 1 56 ALA H . . 4.290 4.030 3.939 4.101 . 0 0 "[ . 1 . 2]" 1
1095 1 54 ALA H 1 56 ALA MB . . 4.550 4.587 4.555 4.628 0.078 11 0 "[ . 1 . 2]" 1
1096 1 54 ALA MB 1 55 GLN H . . 3.250 2.859 2.615 3.090 . 0 0 "[ . 1 . 2]" 1
1097 1 54 ALA MB 1 55 GLN HA . . 4.910 4.081 3.854 4.245 . 0 0 "[ . 1 . 2]" 1
1098 1 54 ALA MB 1 55 GLN HB3 . . 5.400 5.143 4.817 5.378 . 0 0 "[ . 1 . 2]" 1
1099 1 54 ALA MB 1 55 GLN HE21 . . 5.500 4.567 3.812 5.505 0.005 2 0 "[ . 1 . 2]" 1
1100 1 54 ALA MB 1 55 GLN HG2 . . 4.450 3.884 3.486 4.178 . 0 0 "[ . 1 . 2]" 1
1101 1 54 ALA MB 1 55 GLN QG . . 3.760 2.760 2.410 3.080 . 0 0 "[ . 1 . 2]" 1
1102 1 54 ALA MB 1 55 GLN HG3 . . 4.450 2.825 2.457 3.171 . 0 0 "[ . 1 . 2]" 1
1103 1 54 ALA MB 1 56 ALA H . . 4.470 4.488 4.359 4.544 0.074 13 0 "[ . 1 . 2]" 1
1104 1 55 GLN H 1 55 GLN HB2 . . 3.080 2.472 2.415 2.525 . 0 0 "[ . 1 . 2]" 1
1105 1 55 GLN H 1 55 GLN HB3 . . 3.670 3.681 3.644 3.714 0.044 10 0 "[ . 1 . 2]" 1
1106 1 55 GLN H 1 55 GLN HE21 . . 4.840 4.174 3.856 4.664 . 0 0 "[ . 1 . 2]" 1
1107 1 55 GLN H 1 55 GLN HG2 . . 3.990 3.807 3.618 3.937 . 0 0 "[ . 1 . 2]" 1
1108 1 55 GLN H 1 55 GLN QG . . 3.200 2.715 2.530 2.944 . 0 0 "[ . 1 . 2]" 1
1109 1 55 GLN H 1 55 GLN HG3 . . 3.990 2.780 2.583 3.040 . 0 0 "[ . 1 . 2]" 1
1110 1 55 GLN H 1 56 ALA H . . 2.970 2.299 2.047 2.567 . 0 0 "[ . 1 . 2]" 1
1111 1 55 GLN H 1 56 ALA MB . . 4.410 3.835 3.613 4.140 . 0 0 "[ . 1 . 2]" 1
1112 1 55 GLN HA 1 55 GLN HG2 . . 3.910 2.402 2.276 2.516 . 0 0 "[ . 1 . 2]" 1
1113 1 55 GLN HA 1 55 GLN QG . . 3.310 2.318 2.215 2.423 . 0 0 "[ . 1 . 2]" 1
1114 1 55 GLN HA 1 55 GLN HG3 . . 3.910 3.064 2.957 3.161 . 0 0 "[ . 1 . 2]" 1
1115 1 55 GLN HB2 1 55 GLN HE21 . . 3.340 2.593 2.226 2.870 . 0 0 "[ . 1 . 2]" 1
1116 1 55 GLN HB2 1 55 GLN HE22 . . 4.450 3.832 3.703 3.946 . 0 0 "[ . 1 . 2]" 1
1117 1 55 GLN HB2 1 56 ALA H . . 4.260 3.600 3.330 3.762 . 0 0 "[ . 1 . 2]" 1
1118 1 55 GLN HB3 1 55 GLN HE21 . . 3.830 3.459 2.634 3.850 0.020 13 0 "[ . 1 . 2]" 1
1119 1 55 GLN HB3 1 55 GLN HE22 . . 4.480 4.118 3.870 4.282 . 0 0 "[ . 1 . 2]" 1
1120 1 55 GLN HB3 1 56 ALA H . . 4.530 4.291 4.154 4.385 . 0 0 "[ . 1 . 2]" 1
1121 1 56 ALA H 1 56 ALA MB . . 2.510 2.118 2.058 2.165 . 0 0 "[ . 1 . 2]" 1
1122 1 56 ALA H 1 57 PRO HD2 . . 5.050 4.872 4.746 5.118 0.068 3 0 "[ . 1 . 2]" 1
1123 1 56 ALA H 1 57 PRO QD . . 4.330 4.368 4.313 4.387 0.057 1 0 "[ . 1 . 2]" 1
1124 1 56 ALA H 1 57 PRO HD3 . . 5.050 4.968 4.645 5.106 0.056 15 0 "[ . 1 . 2]" 1
1125 1 56 ALA HA 1 57 PRO HD2 . . 3.090 2.575 2.264 3.101 0.011 19 0 "[ . 1 . 2]" 1
1126 1 56 ALA HA 1 57 PRO QD . . 2.680 2.091 1.971 2.158 . 0 0 "[ . 1 . 2]" 1
1127 1 56 ALA HA 1 57 PRO HD3 . . 3.090 2.279 1.999 2.422 . 0 0 "[ . 1 . 2]" 1
1128 1 56 ALA MB 1 57 PRO HD2 . . 3.890 2.177 2.118 2.257 . 0 0 "[ . 1 . 2]" 1
1129 1 56 ALA MB 1 57 PRO QD . . 3.220 2.139 2.078 2.226 . 0 0 "[ . 1 . 2]" 1
1130 1 56 ALA MB 1 57 PRO HD3 . . 3.890 3.238 2.708 3.520 . 0 0 "[ . 1 . 2]" 1
1131 1 56 ALA MB 1 57 PRO HG2 . . 4.560 3.998 3.741 4.416 . 0 0 "[ . 1 . 2]" 1
1132 1 56 ALA MB 1 57 PRO HG3 . . 4.560 4.579 4.522 4.609 0.049 13 0 "[ . 1 . 2]" 1
1133 1 57 PRO HA 1 58 LYS H . . 2.700 2.307 2.156 2.481 . 0 0 "[ . 1 . 2]" 1
1134 1 57 PRO QB 1 58 LYS H . . 3.410 2.765 2.492 3.215 . 0 0 "[ . 1 . 2]" 1
1135 1 57 PRO HB2 1 58 LYS H . . 3.900 3.040 2.558 3.792 . 0 0 "[ . 1 . 2]" 1
1136 1 57 PRO HB3 1 58 LYS H . . 3.900 3.405 2.733 3.932 0.032 12 0 "[ . 1 . 2]" 1
1137 1 57 PRO QG 1 58 LYS H . . 4.570 4.340 4.047 4.593 0.023 12 0 "[ . 1 . 2]" 1
1138 1 58 LYS H 1 58 LYS QB . . 3.600 2.687 2.269 3.286 . 0 0 "[ . 1 . 2]" 1
1139 1 58 LYS H 1 58 LYS QD . . 4.330 3.994 3.653 4.358 0.028 2 0 "[ . 1 . 2]" 1
1140 1 58 LYS H 1 58 LYS QE . . 5.500 4.624 3.862 5.278 . 0 0 "[ . 1 . 2]" 1
1141 1 58 LYS H 1 58 LYS QG . . 3.270 2.252 1.813 3.189 . 0 0 "[ . 1 . 2]" 1
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