NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
605118 |
2n72   |
25790 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n72
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 1069
_Distance_constraint_stats_list.Viol_count 2028
_Distance_constraint_stats_list.Viol_total 4878.270
_Distance_constraint_stats_list.Viol_max 0.499
_Distance_constraint_stats_list.Viol_rms 0.0296
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0051
_Distance_constraint_stats_list.Viol_average_violations_only 0.0802
_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 3 GLN 2.131 0.255 30 0 "[ . 1 . 2 . 3]"
1 4 LYS 2.759 0.255 30 0 "[ . 1 . 2 . 3]"
1 5 GLN 0.599 0.130 29 0 "[ . 1 . 2 . 3]"
1 6 GLN 10.388 0.489 12 0 "[ . 1 . 2 . 3]"
1 7 ILE 16.566 0.489 12 0 "[ . 1 . 2 . 3]"
1 8 MET 5.922 0.483 16 0 "[ . 1 . 2 . 3]"
1 9 ALA 0.042 0.042 12 0 "[ . 1 . 2 . 3]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 11 LEU 4.384 0.483 16 0 "[ . 1 . 2 . 3]"
1 12 ASN 0.030 0.030 12 0 "[ . 1 . 2 . 3]"
1 13 SER 0.004 0.004 5 0 "[ . 1 . 2 . 3]"
1 14 GLN 2.022 0.207 8 0 "[ . 1 . 2 . 3]"
1 15 THR 2.342 0.207 8 0 "[ . 1 . 2 . 3]"
1 16 ALA 1.610 0.201 23 0 "[ . 1 . 2 . 3]"
1 17 VAL 5.141 0.201 23 0 "[ . 1 . 2 . 3]"
1 18 GLN 1.864 0.216 22 0 "[ . 1 . 2 . 3]"
1 19 PHE 0.849 0.216 22 0 "[ . 1 . 2 . 3]"
1 20 GLN 2.115 0.136 17 0 "[ . 1 . 2 . 3]"
1 21 GLN 0.115 0.039 21 0 "[ . 1 . 2 . 3]"
1 22 TYR 5.119 0.379 26 0 "[ . 1 . 2 . 3]"
1 23 ALA 9.085 0.258 29 0 "[ . 1 . 2 . 3]"
1 24 ALA 1.425 0.177 20 0 "[ . 1 . 2 . 3]"
1 25 GLN 3.484 0.234 13 0 "[ . 1 . 2 . 3]"
1 26 GLN 1.660 0.174 28 0 "[ . 1 . 2 . 3]"
1 27 TYR 16.468 0.499 29 0 "[ . 1 . 2 . 3]"
1 28 PRO 2.030 0.174 28 0 "[ . 1 . 2 . 3]"
1 29 GLY 0.247 0.130 30 0 "[ . 1 . 2 . 3]"
1 30 ASN 5.585 0.198 25 0 "[ . 1 . 2 . 3]"
1 31 TYR 1.395 0.126 15 0 "[ . 1 . 2 . 3]"
1 32 GLU 7.820 0.376 29 0 "[ . 1 . 2 . 3]"
1 33 GLN 9.592 0.259 27 0 "[ . 1 . 2 . 3]"
1 34 GLN 7.449 0.198 25 0 "[ . 1 . 2 . 3]"
1 35 GLN 11.977 0.259 27 0 "[ . 1 . 2 . 3]"
1 36 ILE 20.995 0.499 29 0 "[ . 1 . 2 . 3]"
1 37 LEU 4.129 0.267 29 0 "[ . 1 . 2 . 3]"
1 38 ILE 17.571 0.449 30 0 "[ . 1 . 2 . 3]"
1 39 ARG 0.500 0.111 30 0 "[ . 1 . 2 . 3]"
1 40 GLN 0.250 0.090 4 0 "[ . 1 . 2 . 3]"
1 41 LEU 8.455 0.449 30 0 "[ . 1 . 2 . 3]"
1 42 GLN 0.137 0.112 14 0 "[ . 1 . 2 . 3]"
1 43 GLU 0.346 0.086 12 0 "[ . 1 . 2 . 3]"
1 45 HIS 0.089 0.089 25 0 "[ . 1 . 2 . 3]"
1 46 TYR 6.312 0.468 8 0 "[ . 1 . 2 . 3]"
1 47 GLN 0.621 0.195 23 0 "[ . 1 . 2 . 3]"
1 48 GLN 0.089 0.089 25 0 "[ . 1 . 2 . 3]"
1 49 TYR 5.743 0.307 29 0 "[ . 1 . 2 . 3]"
1 50 MET 6.773 0.307 29 0 "[ . 1 . 2 . 3]"
1 51 GLN 1.045 0.252 26 0 "[ . 1 . 2 . 3]"
1 52 GLN 0.473 0.097 27 0 "[ . 1 . 2 . 3]"
1 53 LEU 3.335 0.261 25 0 "[ . 1 . 2 . 3]"
1 54 TYR 9.217 0.243 22 0 "[ . 1 . 2 . 3]"
1 55 GLN 15.625 0.404 24 0 "[ . 1 . 2 . 3]"
1 56 VAL 12.752 0.355 30 0 "[ . 1 . 2 . 3]"
1 57 GLN 8.039 0.491 15 0 "[ . 1 . 2 . 3]"
1 58 LEU 18.899 0.491 15 0 "[ . 1 . 2 . 3]"
1 59 ALA 7.715 0.274 17 0 "[ . 1 . 2 . 3]"
1 60 GLN 6.661 0.274 17 0 "[ . 1 . 2 . 3]"
1 61 GLN 4.923 0.370 20 0 "[ . 1 . 2 . 3]"
1 62 GLN 2.085 0.197 20 0 "[ . 1 . 2 . 3]"
1 63 ALA 1.365 0.190 26 0 "[ . 1 . 2 . 3]"
1 64 ALA 0.529 0.090 30 0 "[ . 1 . 2 . 3]"
1 65 LEU 4.817 0.287 27 0 "[ . 1 . 2 . 3]"
1 66 GLN 4.261 0.287 27 0 "[ . 1 . 2 . 3]"
1 67 LYS 0.734 0.215 17 0 "[ . 1 . 2 . 3]"
1 68 GLN 0.562 0.215 17 0 "[ . 1 . 2 . 3]"
1 69 GLN 0.089 0.083 1 0 "[ . 1 . 2 . 3]"
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 3 GLN HA 1 4 LYS QB 4.790 . 4.790 4.685 4.258 5.045 0.255 30 0 "[ . 1 . 2 . 3]" 1
2 1 3 GLN HA 1 5 GLN H 4.240 . 4.240 3.720 3.354 4.231 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 3 GLN HA 1 7 ILE MD 5.500 . 5.500 5.421 4.765 5.674 0.174 16 0 "[ . 1 . 2 . 3]" 1
4 1 4 LYS HA 1 7 ILE H 3.900 . 3.900 3.522 3.047 3.865 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 4 LYS HA 1 7 ILE HB 4.410 . 4.410 3.381 2.807 3.811 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 4 LYS HA 1 7 ILE MD 3.730 . 3.730 2.158 1.949 2.542 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 4 LYS HA 1 46 TYR QE 5.170 . 5.170 4.195 3.106 4.600 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 4 LYS HA 1 50 MET ME 5.500 . 5.500 4.520 4.009 4.941 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 4 LYS QB 1 5 GLN H 3.510 . 3.510 2.925 2.469 3.640 0.130 29 0 "[ . 1 . 2 . 3]" 1
10 1 4 LYS QB 1 7 ILE MD 3.700 . 3.700 3.635 3.273 3.863 0.163 10 0 "[ . 1 . 2 . 3]" 1
11 1 5 GLN H 1 5 GLN QB 2.900 . 2.900 2.350 2.036 2.543 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 5 GLN H 1 5 GLN QG 4.000 . 4.000 2.702 2.040 4.035 0.035 7 0 "[ . 1 . 2 . 3]" 1
13 1 5 GLN H 1 6 GLN H 3.720 . 3.720 2.709 2.470 2.860 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 5 GLN HA 1 7 ILE H 4.480 . 4.480 4.146 3.955 4.425 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 5 GLN HA 1 8 MET H 4.990 . 4.990 3.099 2.848 3.396 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 5 GLN HA 1 8 MET QB 3.860 . 3.860 2.480 2.210 2.827 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 5 GLN HA 1 8 MET ME 5.080 . 5.080 4.738 4.336 5.157 0.077 13 0 "[ . 1 . 2 . 3]" 1
18 1 6 GLN H 1 6 GLN QB 3.190 . 3.190 2.393 2.220 2.490 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 6 GLN H 1 6 GLN HG2 3.730 . 3.730 2.874 2.066 3.765 0.035 26 0 "[ . 1 . 2 . 3]" 1
20 1 6 GLN H 1 6 GLN QG 3.240 . 3.240 2.326 2.053 2.625 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 6 GLN H 1 6 GLN HG3 3.730 . 3.730 3.006 2.199 3.679 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 6 GLN H 1 7 ILE H 3.600 . 3.600 2.574 2.446 2.759 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 6 GLN HA 1 6 GLN QG 3.710 . 3.710 2.642 2.337 3.067 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 6 GLN HA 1 9 ALA MB 3.920 . 3.920 2.807 2.537 3.210 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 6 GLN HA 1 10 ALA H 5.000 . 5.000 4.359 4.084 4.805 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 6 GLN QB 1 7 ILE H 3.240 . 3.240 2.525 2.390 2.667 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 6 GLN QB 1 7 ILE MD 3.810 . 3.810 4.155 3.930 4.299 0.489 12 0 "[ . 1 . 2 . 3]" 1
28 1 6 GLN HB2 1 7 ILE H 3.810 . 3.810 2.579 2.434 2.735 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 6 GLN HB3 1 7 ILE H 3.810 . 3.810 3.598 3.483 3.738 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 6 GLN QG 1 7 ILE H 4.450 . 4.450 4.069 3.901 4.243 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 6 GLN HG2 1 7 ILE H 5.320 . 5.320 4.643 4.165 5.103 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 6 GLN HG3 1 7 ILE H 5.320 . 5.320 4.606 4.203 4.915 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 7 ILE H 1 7 ILE HB 3.080 . 3.080 2.533 2.406 2.653 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 7 ILE H 1 7 ILE MD 3.550 . 3.550 3.271 2.914 3.515 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 7 ILE H 1 7 ILE HG12 3.930 . 3.930 3.506 3.260 3.699 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 7 ILE H 1 7 ILE HG13 3.220 . 3.220 2.068 1.885 2.286 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 7 ILE H 1 7 ILE MG 3.800 . 3.800 3.794 3.760 3.831 0.031 25 0 "[ . 1 . 2 . 3]" 1
38 1 7 ILE H 1 8 MET H 3.650 . 3.650 2.563 2.359 2.682 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 7 ILE H 1 8 MET QG 5.340 . 5.340 4.233 3.867 4.572 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 7 ILE HA 1 7 ILE MD 3.940 . 3.940 3.951 3.865 4.035 0.095 28 0 "[ . 1 . 2 . 3]" 1
41 1 7 ILE HA 1 7 ILE HG12 3.680 . 3.680 2.761 2.651 2.962 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 7 ILE HA 1 7 ILE HG13 3.930 . 3.930 2.912 2.732 3.161 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 7 ILE HA 1 7 ILE MG 3.280 . 3.280 2.426 2.336 2.536 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 7 ILE HA 1 10 ALA H 4.070 . 4.070 3.455 3.259 3.675 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 7 ILE HA 1 10 ALA MB 3.940 . 3.940 2.802 2.524 3.157 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 7 ILE HB 1 7 ILE MD 3.270 . 3.270 2.311 2.233 2.421 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 7 ILE HB 1 8 MET H 3.780 . 3.780 2.610 2.512 2.754 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 7 ILE HB 1 8 MET HA 4.930 . 4.930 4.271 4.148 4.386 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 7 ILE HB 1 8 MET QG 4.710 . 4.710 3.395 3.153 3.577 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 7 ILE HB 1 46 TYR QD 4.900 . 4.900 4.322 4.001 4.658 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 7 ILE HB 1 46 TYR QE 3.830 . 3.830 2.216 2.040 2.510 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 7 ILE MD 1 8 MET H 4.810 . 4.810 4.338 4.072 4.569 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 7 ILE MD 1 8 MET QG 4.520 . 4.520 4.580 4.330 4.782 0.262 26 0 "[ . 1 . 2 . 3]" 1
54 1 7 ILE MD 1 46 TYR QD 5.460 . 5.460 5.069 4.797 5.396 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 7 ILE MD 1 46 TYR QE 3.700 . 3.700 3.235 2.948 3.560 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 7 ILE MD 1 49 TYR QD 4.300 . 4.300 4.078 3.267 4.428 0.128 29 0 "[ . 1 . 2 . 3]" 1
57 1 7 ILE MD 1 49 TYR QE 4.090 . 4.090 3.632 2.801 4.069 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 7 ILE MD 1 50 MET ME 3.560 . 3.560 2.632 2.218 3.123 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 7 ILE MD 1 53 LEU QD 3.770 . 3.770 3.233 2.689 3.850 0.080 8 0 "[ . 1 . 2 . 3]" 1
60 1 7 ILE HG12 1 7 ILE MG 3.320 . 3.320 2.299 2.183 2.409 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 7 ILE MG 1 8 MET H 3.870 . 3.870 3.582 3.423 3.773 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 7 ILE MG 1 8 MET HA 3.730 . 3.730 3.624 3.359 3.809 0.079 24 0 "[ . 1 . 2 . 3]" 1
63 1 7 ILE MG 1 8 MET QG 4.460 . 4.460 3.920 3.549 4.101 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 7 ILE MG 1 10 ALA MB 3.990 . 3.990 3.552 3.380 3.759 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 7 ILE MG 1 11 LEU H 4.550 . 4.550 3.992 3.774 4.265 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 7 ILE MG 1 11 LEU QB 4.530 . 4.530 4.080 3.830 4.530 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 7 ILE MG 1 11 LEU MD1 3.990 . 3.990 2.481 2.257 3.108 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 7 ILE MG 1 11 LEU QD 3.200 . 3.200 2.429 2.213 2.927 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 7 ILE MG 1 11 LEU MD2 3.990 . 3.990 3.528 3.186 3.938 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 7 ILE MG 1 11 LEU HG 4.190 . 4.190 2.787 2.482 3.065 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 7 ILE MG 1 46 TYR QD 3.610 . 3.610 3.274 2.862 3.664 0.054 24 0 "[ . 1 . 2 . 3]" 1
72 1 7 ILE MG 1 46 TYR QE 3.320 . 3.320 2.306 1.985 2.548 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 7 ILE MG 1 49 TYR QD 3.580 . 3.580 2.666 2.330 3.247 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 7 ILE MG 1 49 TYR QE 3.450 . 3.450 2.352 2.087 2.848 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 7 ILE MG 1 50 MET ME 3.950 . 3.950 3.069 2.294 3.944 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 8 MET H 1 8 MET HB2 3.880 . 3.880 2.485 2.267 2.624 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 8 MET H 1 8 MET QB 3.340 . 3.340 2.444 2.242 2.566 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 8 MET H 1 8 MET HB3 3.880 . 3.880 3.616 3.541 3.670 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 8 MET H 1 8 MET HG2 4.480 . 4.480 3.179 2.355 3.468 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 8 MET H 1 8 MET QG 3.710 . 3.710 2.255 2.051 2.519 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 8 MET H 1 8 MET HG3 4.480 . 4.480 2.533 2.078 3.766 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 8 MET H 1 9 ALA H 3.900 . 3.900 2.726 2.562 2.855 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 8 MET H 1 9 ALA MB 5.120 . 5.120 4.402 4.199 4.500 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 8 MET H 1 10 ALA H 5.330 . 5.330 4.218 3.940 4.368 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 8 MET HA 1 8 MET ME 4.100 . 4.100 3.813 3.293 4.144 0.044 25 0 "[ . 1 . 2 . 3]" 1
86 1 8 MET HA 1 8 MET QG 3.670 . 3.670 2.474 2.252 2.853 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 8 MET HA 1 10 ALA H 4.630 . 4.630 4.365 4.158 4.504 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 8 MET HA 1 11 LEU QD 3.820 . 3.820 2.603 2.323 2.981 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 8 MET HA 1 12 ASN H 5.080 . 5.080 3.964 3.707 4.257 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 8 MET HA 1 46 TYR QE 5.500 . 5.500 3.842 3.295 4.374 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 8 MET QB 1 9 ALA H 3.640 . 3.640 2.623 2.344 2.864 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 8 MET QB 1 46 TYR QE 5.340 . 5.340 4.550 4.141 4.985 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 8 MET HB2 1 9 ALA H 4.270 . 4.270 2.688 2.384 2.944 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 8 MET HB3 1 9 ALA H 4.270 . 4.270 3.671 3.451 3.914 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 8 MET ME 1 8 MET HG2 3.750 . 3.750 2.562 2.279 3.447 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 8 MET ME 1 8 MET QG 3.240 . 3.240 2.331 2.198 2.500 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 8 MET ME 1 8 MET HG3 3.750 . 3.750 3.198 2.276 3.547 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 8 MET ME 1 11 LEU QD 4.630 . 4.630 4.332 3.789 5.113 0.483 16 0 "[ . 1 . 2 . 3]" 1
99 1 8 MET ME 1 12 ASN QD 4.180 . 4.180 3.649 2.969 4.210 0.030 12 0 "[ . 1 . 2 . 3]" 1
100 1 8 MET ME 1 43 GLU H 4.750 . 4.750 4.349 3.642 4.749 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 8 MET ME 1 43 GLU HA 3.720 . 3.720 2.731 2.064 3.123 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 8 MET ME 1 43 GLU QB 3.870 . 3.870 3.664 3.344 3.950 0.080 26 0 "[ . 1 . 2 . 3]" 1
103 1 8 MET ME 1 43 GLU QG 3.810 . 3.810 2.870 2.090 3.896 0.086 12 0 "[ . 1 . 2 . 3]" 1
104 1 8 MET ME 1 46 TYR H 5.000 . 5.000 4.565 4.014 5.110 0.110 22 0 "[ . 1 . 2 . 3]" 1
105 1 8 MET ME 1 46 TYR QB 3.960 . 3.960 2.774 2.356 3.466 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 8 MET ME 1 46 TYR QD 4.200 . 4.200 3.443 2.732 4.126 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 8 MET ME 1 46 TYR QE 4.590 . 4.590 4.419 3.955 5.058 0.468 8 0 "[ . 1 . 2 . 3]" 1
108 1 8 MET QG 1 9 ALA H 4.300 . 4.300 4.132 3.925 4.342 0.042 12 0 "[ . 1 . 2 . 3]" 1
109 1 8 MET QG 1 46 TYR QD 4.100 . 4.100 2.775 2.099 3.675 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 8 MET QG 1 46 TYR QE 4.390 . 4.390 2.783 2.382 3.214 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 8 MET HG2 1 46 TYR QD 4.820 . 4.820 2.844 2.134 3.813 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 8 MET HG3 1 46 TYR QD 4.820 . 4.820 3.892 3.113 4.814 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 9 ALA H 1 9 ALA MB 2.800 . 2.800 2.235 2.172 2.310 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 9 ALA H 1 10 ALA H 3.750 . 3.750 2.701 2.545 2.843 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 9 ALA H 1 11 LEU H 4.500 . 4.500 4.257 4.010 4.377 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 9 ALA HA 1 12 ASN H 4.810 . 4.810 3.457 3.207 3.669 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 9 ALA HA 1 12 ASN HB2 4.690 . 4.690 2.586 2.251 3.400 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 9 ALA HA 1 12 ASN QB 3.930 . 3.930 2.538 2.230 2.785 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 9 ALA HA 1 12 ASN HB3 4.690 . 4.690 4.051 2.785 4.453 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 9 ALA MB 1 12 ASN QB 4.720 . 4.720 3.944 3.684 4.178 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 10 ALA H 1 10 ALA MB 2.920 . 2.920 2.240 2.207 2.340 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 10 ALA H 1 11 LEU H 3.950 . 3.950 2.689 2.567 2.850 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 10 ALA H 1 11 LEU HA 5.490 . 5.490 5.337 5.244 5.454 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 10 ALA MB 1 11 LEU H 3.440 . 3.440 2.473 2.369 2.684 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 10 ALA MB 1 11 LEU QD 4.190 . 4.190 3.672 3.318 3.857 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 10 ALA MB 1 13 SER QB 4.780 . 4.780 4.267 4.020 4.649 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 11 LEU H 1 11 LEU HB2 3.700 . 3.700 2.427 2.327 2.599 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 11 LEU H 1 11 LEU HB3 3.700 . 3.700 3.606 3.559 3.661 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 11 LEU H 1 11 LEU MD1 4.150 . 4.150 3.578 3.403 3.774 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 11 LEU H 1 11 LEU MD2 4.150 . 4.150 3.578 3.160 3.745 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 11 LEU H 1 11 LEU HG 3.730 . 3.730 2.439 2.245 2.667 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 11 LEU H 1 12 ASN H 4.030 . 4.030 2.665 2.595 2.761 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 11 LEU HA 1 11 LEU QD 3.290 . 3.290 2.143 2.007 2.268 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 11 LEU HA 1 15 THR MG 5.500 . 5.500 3.846 3.249 5.253 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 11 LEU QB 1 12 ASN H 3.990 . 3.990 2.632 2.334 2.807 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 11 LEU HB2 1 12 ASN H 4.540 . 4.540 2.701 2.376 2.892 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 11 LEU HB3 1 12 ASN H 4.540 . 4.540 3.640 3.361 3.850 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 11 LEU QD 1 46 TYR H 4.960 . 4.960 4.051 3.339 4.698 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 11 LEU QD 1 46 TYR HA 4.070 . 4.070 2.636 2.104 3.090 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 11 LEU QD 1 46 TYR QD 3.760 . 3.760 2.064 1.930 2.308 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 11 LEU QD 1 46 TYR QE 4.170 . 4.170 3.262 2.757 3.795 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 11 LEU QD 1 49 TYR QB 3.780 . 3.780 2.543 2.172 3.084 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 11 LEU QD 1 49 TYR QD 3.620 . 3.620 2.682 2.467 3.099 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 11 LEU MD1 1 46 TYR QE 5.330 . 5.330 3.290 2.768 3.853 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 11 LEU MD1 1 49 TYR QD 4.240 . 4.240 3.028 2.599 3.585 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 11 LEU MD1 1 49 TYR QE 4.530 . 4.530 3.969 3.379 4.565 0.035 13 0 "[ . 1 . 2 . 3]" 1
147 1 11 LEU MD2 1 46 TYR QE 5.330 . 5.330 5.437 5.222 5.697 0.367 29 0 "[ . 1 . 2 . 3]" 1
148 1 11 LEU MD2 1 49 TYR QD 4.240 . 4.240 3.084 2.567 3.885 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 11 LEU MD2 1 49 TYR QE 4.530 . 4.530 3.290 2.808 3.902 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 12 ASN H 1 13 SER H 4.500 . 4.500 2.694 2.483 2.832 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 13 SER H 1 13 SER QB 3.290 . 3.290 2.361 2.066 2.555 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 13 SER H 1 14 GLN QB 5.340 . 5.340 4.698 4.413 5.012 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 13 SER HA 1 16 ALA MB 3.390 . 3.390 2.929 2.547 3.394 0.004 5 0 "[ . 1 . 2 . 3]" 1
154 1 13 SER QB 1 14 GLN H 4.000 . 4.000 2.610 2.434 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 13 SER QB 1 16 ALA MB 5.180 . 5.180 4.548 4.199 4.997 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 14 GLN H 1 14 GLN HB2 3.900 . 3.900 2.565 2.252 3.642 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 14 GLN H 1 14 GLN HB3 3.900 . 3.900 3.487 2.386 3.657 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 14 GLN H 1 14 GLN HG2 4.150 . 4.150 2.704 2.017 3.821 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 14 GLN H 1 14 GLN QG 3.550 . 3.550 2.299 2.007 2.512 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 14 GLN H 1 14 GLN HG3 4.150 . 4.150 3.231 2.186 3.758 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 14 GLN H 1 15 THR H 4.110 . 4.110 2.650 2.343 2.843 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 14 GLN HA 1 14 GLN HG2 4.030 . 4.030 2.984 2.484 3.844 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 14 GLN HA 1 14 GLN QG 3.470 . 3.470 2.823 2.391 3.372 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 14 GLN HA 1 14 GLN HG3 4.030 . 4.030 3.562 2.784 3.895 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 14 GLN HB2 1 15 THR H 4.340 . 4.340 3.025 2.541 4.349 0.009 30 0 "[ . 1 . 2 . 3]" 1
166 1 14 GLN HB2 1 15 THR MG 4.370 . 4.370 2.857 2.345 4.185 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 14 GLN HB3 1 15 THR H 4.340 . 4.340 3.867 3.538 4.242 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 14 GLN HB3 1 15 THR MG 4.370 . 4.370 3.507 3.045 4.577 0.207 8 0 "[ . 1 . 2 . 3]" 1
169 1 14 GLN QG 1 15 THR MG 4.340 . 4.340 4.104 2.037 4.510 0.170 28 0 "[ . 1 . 2 . 3]" 1
170 1 14 GLN HG2 1 15 THR MG 5.160 . 5.160 4.760 2.588 5.268 0.108 17 0 "[ . 1 . 2 . 3]" 1
171 1 14 GLN HG3 1 15 THR MG 5.160 . 5.160 4.497 2.115 5.033 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 15 THR H 1 15 THR MG 4.140 . 4.140 2.626 2.323 2.902 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 15 THR H 1 16 ALA H 4.210 . 4.210 2.384 2.153 2.711 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 15 THR H 1 16 ALA MB 4.640 . 4.640 4.030 3.802 4.287 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 15 THR HA 1 15 THR MG 3.580 . 3.580 2.351 2.287 2.407 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 15 THR HA 1 18 GLN HB2 4.970 . 4.970 2.971 2.121 3.643 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 15 THR HA 1 18 GLN QB 4.170 . 4.170 2.405 2.094 2.951 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 15 THR HA 1 18 GLN HB3 4.970 . 4.970 2.694 2.287 4.059 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 15 THR MG 1 16 ALA H 4.860 . 4.860 4.278 4.190 4.367 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 15 THR MG 1 19 PHE QB 5.340 . 5.340 4.982 4.668 5.522 0.182 16 0 "[ . 1 . 2 . 3]" 1
181 1 15 THR MG 1 19 PHE QD 5.470 . 5.470 4.058 3.828 4.482 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 15 THR MG 1 19 PHE QE 4.150 . 4.150 3.064 2.783 3.429 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 15 THR MG 1 19 PHE HZ 4.380 . 4.380 2.919 2.621 3.299 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 15 THR MG 1 42 GLN QG 5.340 . 5.340 4.054 3.295 5.452 0.112 14 0 "[ . 1 . 2 . 3]" 1
185 1 16 ALA H 1 16 ALA MB 3.040 . 3.040 2.227 2.185 2.280 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 16 ALA H 1 17 VAL H 4.540 . 4.540 3.280 3.049 3.449 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 16 ALA H 1 18 GLN H 4.490 . 4.490 4.082 3.892 4.414 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 16 ALA HA 1 17 VAL HA 5.360 . 5.360 4.623 4.537 4.729 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 16 ALA MB 1 17 VAL H 3.090 . 3.090 2.151 2.033 2.424 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 16 ALA MB 1 17 VAL HA 4.060 . 4.060 3.785 3.665 3.891 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 16 ALA MB 1 17 VAL HB 4.290 . 4.290 3.636 3.515 3.735 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 16 ALA MB 1 17 VAL MG1 3.680 . 3.680 3.715 3.517 3.881 0.201 23 0 "[ . 1 . 2 . 3]" 1
193 1 16 ALA MB 1 18 GLN H 4.590 . 4.590 4.090 3.914 4.453 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 17 VAL H 1 17 VAL HB 3.290 . 3.290 2.482 2.351 2.566 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 17 VAL H 1 17 VAL MG1 2.880 . 2.880 2.241 2.144 2.422 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 17 VAL H 1 17 VAL MG2 4.150 . 4.150 3.792 3.725 3.836 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 17 VAL H 1 18 GLN H 3.700 . 3.700 2.566 2.463 2.689 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 17 VAL HA 1 17 VAL MG1 3.240 . 3.240 3.259 3.228 3.317 0.077 30 0 "[ . 1 . 2 . 3]" 1
199 1 17 VAL HA 1 17 VAL MG2 3.060 . 3.060 2.269 2.207 2.323 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 17 VAL HA 1 18 GLN HA 5.500 . 5.500 4.828 4.764 4.875 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 17 VAL HA 1 20 GLN H 3.940 . 3.940 3.147 2.946 3.403 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 17 VAL HA 1 20 GLN HA 5.500 . 5.500 4.878 4.723 5.124 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 17 VAL HA 1 20 GLN HB2 4.110 . 4.110 2.666 2.453 2.855 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 17 VAL HA 1 20 GLN HB3 4.110 . 4.110 2.424 2.218 2.854 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 17 VAL HB 1 18 GLN H 4.070 . 4.070 4.058 3.948 4.108 0.038 26 0 "[ . 1 . 2 . 3]" 1
206 1 17 VAL MG1 1 18 GLN H 3.910 . 3.910 2.473 2.295 2.591 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 17 VAL MG1 1 18 GLN HA 4.640 . 4.640 3.244 3.066 3.376 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 17 VAL MG1 1 20 GLN H 5.100 . 5.100 4.895 4.808 5.070 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 17 VAL MG2 1 18 GLN H 3.990 . 3.990 4.023 3.946 4.134 0.144 26 0 "[ . 1 . 2 . 3]" 1
210 1 17 VAL MG2 1 18 GLN HA 4.200 . 4.200 4.100 3.988 4.271 0.071 28 0 "[ . 1 . 2 . 3]" 1
211 1 17 VAL MG2 1 20 GLN HB2 4.000 . 4.000 4.016 3.812 4.136 0.136 17 0 "[ . 1 . 2 . 3]" 1
212 1 17 VAL MG2 1 20 GLN QB 3.510 . 3.510 2.965 2.735 3.187 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 17 VAL MG2 1 20 GLN HB3 4.000 . 4.000 3.055 2.802 3.318 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 17 VAL MG2 1 21 GLN H 4.620 . 4.620 3.941 3.595 4.439 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 17 VAL MG2 1 21 GLN HG2 4.060 . 4.060 3.307 2.452 4.099 0.039 21 0 "[ . 1 . 2 . 3]" 1
216 1 17 VAL MG2 1 21 GLN QG 3.380 . 3.380 2.736 2.271 3.347 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 17 VAL MG2 1 21 GLN HG3 4.060 . 4.060 3.222 2.301 4.080 0.020 5 0 "[ . 1 . 2 . 3]" 1
218 1 18 GLN H 1 18 GLN HB2 3.550 . 3.550 2.325 2.037 2.565 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 18 GLN H 1 18 GLN QB 3.090 . 3.090 2.173 2.019 2.281 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 18 GLN H 1 18 GLN HB3 3.550 . 3.550 2.735 2.465 3.476 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 18 GLN H 1 18 GLN QG 4.200 . 4.200 3.921 3.621 4.033 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 18 GLN H 1 19 PHE H 4.290 . 4.290 2.743 2.605 2.816 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 18 GLN HA 1 18 GLN QG 3.510 . 3.510 2.424 2.310 2.574 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 18 GLN HA 1 19 PHE QD 5.420 . 5.420 4.906 4.487 5.476 0.056 9 0 "[ . 1 . 2 . 3]" 1
225 1 18 GLN QB 1 19 PHE H 3.860 . 3.860 2.431 2.293 2.653 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 18 GLN QB 1 19 PHE QD 5.030 . 5.030 3.345 2.906 3.948 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 18 GLN HB2 1 19 PHE H 4.460 . 4.460 3.588 2.814 3.874 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 18 GLN HB3 1 19 PHE H 4.460 . 4.460 2.512 2.316 3.134 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 18 GLN QG 1 19 PHE QD 4.660 . 4.660 3.333 2.603 4.876 0.216 22 0 "[ . 1 . 2 . 3]" 1
230 1 19 PHE H 1 19 PHE QD 4.340 . 4.340 3.163 2.919 3.436 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 19 PHE H 1 20 GLN H 3.720 . 3.720 2.485 2.374 2.620 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 19 PHE HA 1 19 PHE QD 3.280 . 3.280 2.028 1.931 2.173 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 19 PHE HA 1 19 PHE QE 4.390 . 4.390 4.359 4.290 4.420 0.030 4 0 "[ . 1 . 2 . 3]" 1
234 1 19 PHE HA 1 41 LEU QD 4.600 . 4.600 3.262 2.743 3.813 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 19 PHE QB 1 20 GLN H 3.530 . 3.530 2.934 2.758 3.053 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 19 PHE QB 1 20 GLN HA 4.680 . 4.680 3.975 3.854 4.050 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 19 PHE QB 1 38 ILE HA 4.420 . 4.420 3.026 2.727 3.443 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 19 PHE QB 1 38 ILE MD 3.870 . 3.870 3.312 3.095 3.523 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 19 PHE QB 1 38 ILE QG 4.260 . 4.260 2.123 1.964 2.406 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 19 PHE QB 1 38 ILE MG 3.540 . 3.540 2.327 2.197 2.593 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 19 PHE QB 1 41 LEU QD 4.200 . 4.200 2.244 2.034 2.640 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 19 PHE HB2 1 20 GLN H 4.180 . 4.180 3.038 2.832 3.168 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 19 PHE HB2 1 38 ILE MD 4.490 . 4.490 3.679 3.413 3.894 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 19 PHE HB2 1 38 ILE MG 4.070 . 4.070 2.538 2.302 2.820 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 19 PHE HB3 1 20 GLN H 4.180 . 4.180 3.879 3.741 4.025 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 19 PHE HB3 1 38 ILE MD 4.490 . 4.490 3.774 3.387 4.161 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 19 PHE HB3 1 38 ILE MG 4.070 . 4.070 2.751 2.334 3.097 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 19 PHE QD 1 20 GLN H 4.670 . 4.670 4.633 4.540 4.719 0.049 12 0 "[ . 1 . 2 . 3]" 1
249 1 19 PHE QD 1 38 ILE HA 5.180 . 5.180 3.659 3.262 4.220 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 19 PHE QD 1 38 ILE MD 5.330 . 5.330 4.848 4.577 5.078 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 19 PHE QD 1 38 ILE QG 5.340 . 5.340 3.872 3.722 4.043 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 19 PHE QD 1 38 ILE MG 3.390 . 3.390 2.352 2.157 2.581 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 19 PHE QD 1 41 LEU QD 3.800 . 3.800 2.943 2.450 3.383 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 19 PHE QD 1 42 GLN H 4.780 . 4.780 3.888 3.513 4.343 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 19 PHE QD 1 42 GLN HA 5.010 . 5.010 4.118 3.795 4.423 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 19 PHE QD 1 42 GLN HG2 4.400 . 4.400 3.000 2.442 3.418 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 19 PHE QD 1 42 GLN HG3 4.400 . 4.400 2.464 2.103 4.046 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 19 PHE QE 1 38 ILE MG 4.710 . 4.710 4.334 4.128 4.490 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 19 PHE QE 1 41 LEU QB 5.030 . 5.030 3.032 2.613 3.597 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 19 PHE QE 1 41 LEU QD 4.300 . 4.300 3.637 3.191 4.105 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 19 PHE QE 1 42 GLN H 5.010 . 5.010 3.766 3.432 4.593 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 19 PHE QE 1 42 GLN HA 4.030 . 4.030 2.408 2.082 2.975 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 19 PHE QE 1 42 GLN QB 5.340 . 5.340 3.931 3.720 4.240 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 19 PHE QE 1 42 GLN HG2 4.760 . 4.760 2.685 2.299 3.199 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 19 PHE QE 1 42 GLN QG 4.050 . 4.050 2.469 2.212 3.132 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 19 PHE QE 1 42 GLN HG3 4.760 . 4.760 2.987 2.490 4.465 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 19 PHE QE 1 45 HIS QB 4.770 . 4.770 3.245 2.499 3.852 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 19 PHE HZ 1 41 LEU QD 5.190 . 5.190 4.412 4.087 4.894 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 19 PHE HZ 1 45 HIS HB2 5.080 . 5.080 3.144 2.251 4.099 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 19 PHE HZ 1 45 HIS QB 4.290 . 4.290 3.007 2.222 3.700 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 19 PHE HZ 1 45 HIS HB3 5.080 . 5.080 4.002 3.418 4.591 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 20 GLN H 1 20 GLN HB2 3.130 . 3.130 2.392 2.254 2.496 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 20 GLN H 1 20 GLN HB3 3.130 . 3.130 2.644 2.455 2.823 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 20 GLN H 1 20 GLN QG 4.540 . 4.540 3.979 3.898 4.114 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 20 GLN H 1 21 GLN H 3.670 . 3.670 2.756 2.563 2.850 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 20 GLN H 1 38 ILE MD 4.000 . 4.000 3.605 3.348 3.941 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 20 GLN HA 1 20 GLN QG 3.550 . 3.550 2.402 2.285 2.677 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 20 GLN HA 1 23 ALA H 4.970 . 4.970 3.335 3.038 3.507 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 20 GLN HA 1 23 ALA MB 3.430 . 3.430 2.550 2.210 2.794 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 20 GLN HA 1 38 ILE MD 3.100 . 3.100 2.040 1.925 2.258 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 20 GLN HA 1 38 ILE QG 4.820 . 4.820 3.154 2.876 3.459 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 20 GLN HA 1 38 ILE MG 4.510 . 4.510 4.469 4.213 4.637 0.127 27 0 "[ . 1 . 2 . 3]" 1
283 1 20 GLN QB 1 21 GLN H 3.590 . 3.590 2.571 2.364 2.870 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 20 GLN QB 1 38 ILE MD 3.920 . 3.920 2.974 2.586 3.343 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 20 GLN HB2 1 21 GLN H 4.120 . 4.120 3.830 3.724 4.100 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 20 GLN HB3 1 21 GLN H 4.120 . 4.120 2.613 2.391 2.931 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 20 GLN QG 1 38 ILE MD 3.560 . 3.560 2.876 2.563 3.535 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 21 GLN H 1 21 GLN QB 3.490 . 3.490 2.409 2.299 2.521 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 21 GLN H 1 21 GLN HG2 4.000 . 4.000 2.900 2.209 3.732 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 21 GLN H 1 21 GLN QG 3.480 . 3.480 2.288 2.096 2.487 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 21 GLN H 1 21 GLN HG3 4.000 . 4.000 2.982 2.125 3.750 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 21 GLN H 1 22 TYR H 3.960 . 3.960 2.672 2.588 2.767 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 21 GLN HA 1 21 GLN QG 3.680 . 3.680 2.659 2.340 3.096 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 21 GLN HA 1 24 ALA H 4.440 . 4.440 3.514 3.216 3.839 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 21 GLN HA 1 24 ALA MB 4.210 . 4.210 2.836 2.549 3.152 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 21 GLN QB 1 22 TYR H 2.940 . 2.940 2.587 2.455 2.810 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 22 TYR H 1 22 TYR HB2 3.760 . 3.760 2.634 2.508 2.836 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 22 TYR H 1 22 TYR QB 3.200 . 3.200 2.215 2.158 2.282 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 22 TYR H 1 22 TYR HB3 3.760 . 3.760 2.391 2.253 2.508 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 22 TYR H 1 22 TYR QD 4.500 . 4.500 4.183 4.083 4.265 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 22 TYR H 1 23 ALA H 4.530 . 4.530 2.656 2.480 2.780 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 22 TYR H 1 23 ALA MB 4.730 . 4.730 4.330 4.203 4.425 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 22 TYR H 1 24 ALA H 4.330 . 4.330 4.130 3.921 4.225 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 22 TYR H 1 24 ALA MB 5.500 . 5.500 4.915 4.751 5.060 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 22 TYR HA 1 22 TYR QD 3.500 . 3.500 2.792 2.527 3.041 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 22 TYR HA 1 25 GLN H 3.930 . 3.930 3.352 3.169 3.487 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 22 TYR HA 1 25 GLN QB 3.370 . 3.370 2.661 2.369 3.129 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 22 TYR QB 1 41 LEU QD 4.940 . 4.940 3.172 2.627 3.546 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 22 TYR HB2 1 23 ALA H 4.530 . 4.530 3.965 3.833 4.109 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 22 TYR HB3 1 23 ALA H 4.530 . 4.530 2.621 2.492 2.826 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 22 TYR QD 1 23 ALA H 4.680 . 4.680 3.338 3.085 3.527 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 22 TYR QD 1 23 ALA MB 4.490 . 4.490 3.545 3.306 3.777 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 22 TYR QD 1 25 GLN H 5.080 . 5.080 5.072 4.907 5.150 0.070 28 0 "[ . 1 . 2 . 3]" 1
314 1 22 TYR QD 1 26 GLN QG 5.340 . 5.340 3.607 3.196 4.008 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 22 TYR QD 1 37 LEU MD1 4.500 . 4.500 4.225 3.866 4.740 0.240 29 0 "[ . 1 . 2 . 3]" 1
316 1 22 TYR QD 1 37 LEU QD 3.650 . 3.650 2.945 2.528 3.250 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 22 TYR QD 1 37 LEU MD2 4.500 . 4.500 3.009 2.562 3.382 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 22 TYR QD 1 37 LEU HG 5.500 . 5.500 3.503 3.212 3.856 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 22 TYR QD 1 38 ILE MD 5.500 . 5.500 5.636 5.356 5.879 0.379 26 0 "[ . 1 . 2 . 3]" 1
320 1 22 TYR QD 1 41 LEU QD 3.330 . 3.330 2.094 1.950 2.301 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 22 TYR QE 1 26 GLN HG2 4.700 . 4.700 3.701 3.404 4.223 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 22 TYR QE 1 26 GLN QG 3.930 . 3.930 2.832 2.466 3.119 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 22 TYR QE 1 26 GLN HG3 4.700 . 4.700 2.952 2.526 3.267 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 22 TYR QE 1 37 LEU MD1 3.570 . 3.570 2.805 2.197 3.283 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 22 TYR QE 1 37 LEU QD 3.120 . 3.120 2.237 2.011 2.647 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 22 TYR QE 1 37 LEU MD2 3.570 . 3.570 2.373 2.049 2.830 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 22 TYR QE 1 37 LEU HG 4.930 . 4.930 3.380 2.786 3.855 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 22 TYR QE 1 41 LEU MD1 4.120 . 4.120 2.852 2.510 3.311 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 22 TYR QE 1 41 LEU QD 3.590 . 3.590 2.414 2.121 2.684 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 22 TYR QE 1 41 LEU MD2 4.120 . 4.120 2.633 2.287 3.005 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 23 ALA H 1 23 ALA MB 3.270 . 3.270 2.220 2.180 2.273 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 23 ALA H 1 24 ALA H 4.620 . 4.620 2.682 2.565 2.742 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 23 ALA H 1 24 ALA MB 4.850 . 4.850 4.367 4.206 4.460 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 23 ALA H 1 25 GLN H 4.700 . 4.700 4.025 3.899 4.233 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 23 ALA H 1 38 ILE MD 4.850 . 4.850 4.035 3.735 4.345 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 23 ALA HA 1 26 GLN H 4.580 . 4.580 3.388 3.244 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 23 ALA HA 1 26 GLN QG 4.770 . 4.770 3.480 3.051 3.863 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 23 ALA HA 1 27 TYR H 4.210 . 4.210 3.850 3.645 4.009 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 23 ALA HA 1 37 LEU MD1 4.920 . 4.920 4.665 4.450 4.865 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 23 ALA HA 1 37 LEU QD 3.400 . 3.400 2.012 1.900 2.240 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 23 ALA HA 1 37 LEU MD2 4.920 . 4.920 2.014 1.901 2.244 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 23 ALA HA 1 38 ILE MD 4.730 . 4.730 4.840 4.723 4.988 0.258 29 0 "[ . 1 . 2 . 3]" 1
343 1 23 ALA MB 1 24 ALA H 3.600 . 3.600 2.630 2.480 2.744 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 23 ALA MB 1 25 GLN H 4.510 . 4.510 4.383 4.311 4.476 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 23 ALA MB 1 27 TYR H 4.230 . 4.230 4.241 4.157 4.386 0.156 27 0 "[ . 1 . 2 . 3]" 1
346 1 23 ALA MB 1 27 TYR QD 4.430 . 4.430 3.921 3.610 4.201 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 23 ALA MB 1 34 GLN H 4.550 . 4.550 4.565 4.486 4.625 0.075 23 0 "[ . 1 . 2 . 3]" 1
348 1 23 ALA MB 1 34 GLN HA 3.260 . 3.260 2.197 2.108 2.347 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 23 ALA MB 1 34 GLN HB2 3.840 . 3.840 3.761 3.645 3.888 0.048 9 0 "[ . 1 . 2 . 3]" 1
350 1 23 ALA MB 1 34 GLN HB3 3.610 . 3.610 2.435 2.250 2.613 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 23 ALA MB 1 34 GLN HE21 5.410 . 5.410 4.798 4.631 4.932 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 23 ALA MB 1 34 GLN HG2 4.210 . 4.210 2.412 2.267 2.554 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 23 ALA MB 1 34 GLN HG3 3.730 . 3.730 3.687 3.619 3.781 0.051 24 0 "[ . 1 . 2 . 3]" 1
354 1 23 ALA MB 1 35 GLN H 4.630 . 4.630 4.739 4.664 4.819 0.189 20 0 "[ . 1 . 2 . 3]" 1
355 1 23 ALA MB 1 35 GLN QE 4.760 . 4.760 4.719 4.443 4.890 0.130 18 0 "[ . 1 . 2 . 3]" 1
356 1 23 ALA MB 1 37 LEU H 5.380 . 5.380 4.429 4.311 4.591 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 23 ALA MB 1 37 LEU HB3 3.930 . 3.930 2.809 2.685 3.028 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 23 ALA MB 1 37 LEU QD 3.360 . 3.360 2.601 2.357 2.832 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 23 ALA MB 1 38 ILE H 4.080 . 4.080 3.454 3.350 3.598 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 23 ALA MB 1 38 ILE HA 4.890 . 4.890 4.039 3.873 4.253 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 23 ALA MB 1 38 ILE MD 3.150 . 3.150 2.298 2.173 2.451 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 23 ALA MB 1 38 ILE HG12 3.990 . 3.990 2.885 2.750 3.019 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 23 ALA MB 1 38 ILE QG 3.230 . 3.230 2.110 1.992 2.220 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 23 ALA MB 1 38 ILE HG13 3.990 . 3.990 2.171 2.024 2.309 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 23 ALA MB 1 41 LEU QD 4.830 . 4.830 3.460 3.065 4.021 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 24 ALA H 1 24 ALA MB 2.900 . 2.900 2.230 2.161 2.275 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 24 ALA H 1 25 GLN H 3.740 . 3.740 2.608 2.509 2.699 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 24 ALA H 1 25 GLN QB 4.560 . 4.560 4.298 4.143 4.626 0.066 20 0 "[ . 1 . 2 . 3]" 1
369 1 24 ALA HA 1 27 TYR H 4.570 . 4.570 3.505 3.326 3.683 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 24 ALA HA 1 34 GLN HE21 4.260 . 4.260 2.672 2.424 2.872 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 24 ALA HA 1 34 GLN HE22 3.890 . 3.890 3.136 2.952 3.385 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 24 ALA HA 1 34 GLN HG2 4.940 . 4.940 2.794 2.600 3.032 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 24 ALA MB 1 25 GLN H 3.120 . 3.120 2.866 2.771 3.019 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 24 ALA MB 1 34 GLN HE21 3.720 . 3.720 3.736 3.479 3.897 0.177 20 0 "[ . 1 . 2 . 3]" 1
375 1 24 ALA MB 1 34 GLN HE22 4.060 . 4.060 3.239 3.035 3.535 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 25 GLN H 1 25 GLN HB2 3.400 . 3.400 2.254 2.000 2.491 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 25 GLN H 1 25 GLN QB 2.860 . 2.860 2.144 1.968 2.284 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 25 GLN H 1 25 GLN HB3 3.400 . 3.400 2.872 2.377 3.527 0.127 20 0 "[ . 1 . 2 . 3]" 1
379 1 25 GLN H 1 25 GLN QG 3.980 . 3.980 3.737 2.470 4.072 0.092 25 0 "[ . 1 . 2 . 3]" 1
380 1 25 GLN H 1 26 GLN H 3.520 . 3.520 2.449 2.284 2.587 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 25 GLN H 1 26 GLN HB2 4.770 . 4.770 4.477 4.219 4.665 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 25 GLN H 1 27 TYR H 4.550 . 4.550 4.220 4.028 4.410 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 25 GLN H 1 37 LEU QD 5.060 . 5.060 5.138 4.911 5.294 0.234 13 0 "[ . 1 . 2 . 3]" 1
384 1 25 GLN HA 1 25 GLN QG 3.700 . 3.700 2.339 2.196 2.489 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 25 GLN HA 1 28 PRO QD 5.350 . 5.350 3.960 3.649 4.172 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 25 GLN QB 1 26 GLN H 3.290 . 3.290 2.980 2.731 3.302 0.012 4 0 "[ . 1 . 2 . 3]" 1
387 1 26 GLN H 1 26 GLN HB3 4.000 . 4.000 3.598 3.467 3.675 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 26 GLN H 1 26 GLN HG2 4.430 . 4.430 2.916 2.639 3.316 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 26 GLN H 1 26 GLN QG 3.650 . 3.650 2.828 2.592 3.168 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 26 GLN H 1 26 GLN HG3 4.430 . 4.430 3.888 3.167 4.260 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 26 GLN H 1 27 TYR H 3.490 . 3.490 2.310 2.086 2.565 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 26 GLN H 1 28 PRO HB3 5.500 . 5.500 5.528 5.397 5.674 0.174 28 0 "[ . 1 . 2 . 3]" 1
393 1 26 GLN H 1 28 PRO QD 5.350 . 5.350 3.940 3.632 4.126 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 26 GLN H 1 37 LEU QD 4.950 . 4.950 3.986 3.810 4.138 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 26 GLN HA 1 28 PRO QD 4.900 . 4.900 3.751 3.648 3.890 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 26 GLN HB2 1 27 TYR H 4.030 . 4.030 2.510 2.381 2.734 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 26 GLN HB2 1 27 TYR QD 4.930 . 4.930 4.044 3.668 4.342 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 26 GLN HB3 1 27 TYR H 3.400 . 3.400 3.362 3.073 3.468 0.068 23 0 "[ . 1 . 2 . 3]" 1
399 1 26 GLN HB3 1 27 TYR QD 4.430 . 4.430 3.833 3.480 4.098 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 26 GLN HB3 1 37 LEU QD 4.180 . 4.180 2.819 2.478 3.069 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 26 GLN QG 1 37 LEU QD 3.870 . 3.870 2.258 2.034 2.553 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 27 TYR H 1 27 TYR HB2 3.470 . 3.470 2.625 2.524 2.702 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 27 TYR H 1 27 TYR HB3 3.810 . 3.810 3.776 3.707 3.816 0.006 18 0 "[ . 1 . 2 . 3]" 1
404 1 27 TYR H 1 27 TYR QD 4.010 . 4.010 3.678 3.585 3.763 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 27 TYR H 1 28 PRO HB3 5.500 . 5.500 5.198 5.042 5.407 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 27 TYR H 1 28 PRO HD2 4.330 . 4.330 4.168 4.053 4.312 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 27 TYR H 1 28 PRO QD 3.680 . 3.680 3.302 3.151 3.502 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 27 TYR H 1 28 PRO HD3 4.330 . 4.330 3.463 3.266 3.705 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 27 TYR H 1 34 GLN HG2 4.710 . 4.710 3.630 3.487 3.778 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 27 TYR H 1 34 GLN HG3 4.680 . 4.680 4.135 3.994 4.340 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 27 TYR H 1 37 LEU QD 4.550 . 4.550 3.835 3.596 4.074 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 27 TYR HA 1 27 TYR QD 3.600 . 3.600 2.141 2.029 2.232 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 27 TYR HA 1 28 PRO HD2 3.740 . 3.740 2.384 2.271 2.456 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 27 TYR HA 1 28 PRO QD 3.180 . 3.180 2.325 2.215 2.394 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 27 TYR HA 1 28 PRO HD3 3.740 . 3.740 3.224 3.066 3.362 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 27 TYR HB2 1 30 ASN H 4.790 . 4.790 4.403 4.241 4.645 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 27 TYR HB2 1 30 ASN HB2 4.460 . 4.460 3.569 3.255 3.807 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 27 TYR HB2 1 33 GLN HB2 5.020 . 5.020 3.288 3.046 3.595 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 27 TYR HB2 1 34 GLN H 4.860 . 4.860 3.638 3.432 3.860 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 27 TYR HB2 1 34 GLN HG2 4.040 . 4.040 2.985 2.795 3.257 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 27 TYR HB3 1 30 ASN H 4.650 . 4.650 3.753 3.580 4.033 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 27 TYR HB3 1 30 ASN HB3 4.380 . 4.380 3.449 3.258 3.689 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 27 TYR HB3 1 34 GLN H 4.550 . 4.550 4.038 3.757 4.364 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 27 TYR HB3 1 34 GLN HE21 5.000 . 5.000 4.231 4.011 4.409 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 27 TYR QD 1 28 PRO HD2 5.150 . 5.150 4.055 3.925 4.185 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 27 TYR QD 1 28 PRO QD 4.530 . 4.530 3.879 3.768 4.024 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 27 TYR QD 1 28 PRO HD3 5.150 . 5.150 4.948 4.715 5.221 0.071 30 0 "[ . 1 . 2 . 3]" 1
428 1 27 TYR QD 1 30 ASN HB2 4.780 . 4.780 4.379 4.134 4.708 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 27 TYR QD 1 33 GLN HB2 4.840 . 4.840 3.302 2.998 3.621 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 27 TYR QD 1 33 GLN HB3 4.550 . 4.550 2.720 2.409 3.148 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 27 TYR QD 1 33 GLN QG 4.380 . 4.380 4.189 3.914 4.435 0.055 1 0 "[ . 1 . 2 . 3]" 1
432 1 27 TYR QD 1 34 GLN H 4.360 . 4.360 3.783 3.582 4.140 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 27 TYR QD 1 34 GLN HA 4.360 . 4.360 2.622 2.453 2.918 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 27 TYR QD 1 35 GLN H 5.500 . 5.500 5.254 5.062 5.627 0.127 28 0 "[ . 1 . 2 . 3]" 1
435 1 27 TYR QD 1 36 ILE MD 5.050 . 5.050 5.405 5.199 5.549 0.499 29 0 "[ . 1 . 2 . 3]" 1
436 1 27 TYR QD 1 36 ILE MG 5.500 . 5.500 5.572 5.370 5.719 0.219 25 0 "[ . 1 . 2 . 3]" 1
437 1 27 TYR QD 1 37 LEU HB2 4.300 . 4.300 2.909 2.604 3.146 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 27 TYR QD 1 37 LEU HB3 5.000 . 5.000 3.524 3.298 3.718 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 27 TYR QD 1 37 LEU MD1 5.050 . 5.050 4.478 4.188 4.703 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 27 TYR QD 1 37 LEU QD 3.580 . 3.580 2.964 2.629 3.226 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 27 TYR QD 1 37 LEU MD2 5.050 . 5.050 3.010 2.648 3.303 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 27 TYR QE 1 33 GLN QG 4.750 . 4.750 4.783 4.437 4.966 0.216 9 0 "[ . 1 . 2 . 3]" 1
443 1 27 TYR QE 1 36 ILE MG 4.600 . 4.600 4.470 4.168 4.655 0.055 28 0 "[ . 1 . 2 . 3]" 1
444 1 27 TYR QE 1 37 LEU HB2 3.830 . 3.830 2.191 2.011 2.615 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 27 TYR QE 1 37 LEU HB3 4.620 . 4.620 3.807 3.635 4.232 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 27 TYR QE 1 37 LEU QD 3.960 . 3.960 2.576 2.233 2.889 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 27 TYR QE 1 37 LEU HG 5.500 . 5.500 4.839 4.531 5.117 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 28 PRO HA 1 29 GLY H 3.550 . 3.550 2.211 2.143 2.283 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 28 PRO HA 1 30 ASN H 4.050 . 4.050 3.518 3.245 3.699 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 28 PRO HA 1 34 GLN HE21 4.920 . 4.920 2.651 2.429 2.888 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 28 PRO HA 1 34 GLN HE22 4.380 . 4.380 3.322 3.130 3.557 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 28 PRO HB2 1 30 ASN H 5.260 . 5.260 5.011 4.884 5.120 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 28 PRO HB3 1 30 ASN H 5.500 . 5.500 5.513 5.317 5.602 0.102 30 0 "[ . 1 . 2 . 3]" 1
454 1 28 PRO QG 1 29 GLY H 4.770 . 4.770 4.545 4.471 4.650 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 29 GLY H 1 30 ASN H 4.110 . 4.110 2.922 2.671 3.176 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 29 GLY H 1 34 GLN HE21 4.730 . 4.730 2.972 2.740 3.185 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 29 GLY H 1 34 GLN HE22 4.750 . 4.750 2.824 2.518 3.167 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 29 GLY H 1 34 GLN HG3 5.250 . 5.250 5.138 4.949 5.380 0.130 30 0 "[ . 1 . 2 . 3]" 1
459 1 29 GLY QA 1 34 GLN HE21 5.340 . 5.340 4.354 4.057 4.691 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 30 ASN H 1 30 ASN HB2 3.460 . 3.460 2.372 2.294 2.497 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 30 ASN H 1 30 ASN HB3 3.630 . 3.630 3.621 3.522 3.723 0.093 26 0 "[ . 1 . 2 . 3]" 1
462 1 30 ASN H 1 31 TYR H 4.470 . 4.470 3.916 3.552 4.026 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 30 ASN H 1 34 GLN HB2 5.500 . 5.500 5.541 5.429 5.642 0.142 23 0 "[ . 1 . 2 . 3]" 1
464 1 30 ASN H 1 34 GLN HE21 3.670 . 3.670 2.783 2.638 3.002 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 30 ASN H 1 34 GLN HE22 3.770 . 3.770 3.761 3.514 3.898 0.128 29 0 "[ . 1 . 2 . 3]" 1
466 1 30 ASN H 1 34 GLN HG3 4.590 . 4.590 3.791 3.610 4.045 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 30 ASN HA 1 31 TYR H 2.960 . 2.960 2.290 2.173 2.398 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 30 ASN HA 1 32 GLU H 4.170 . 4.170 3.735 3.479 3.942 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 30 ASN HB2 1 31 TYR H 4.650 . 4.650 4.574 4.502 4.652 0.002 26 0 "[ . 1 . 2 . 3]" 1
470 1 30 ASN HB2 1 33 GLN H 4.550 . 4.550 3.927 3.745 4.175 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 30 ASN HB3 1 32 GLU H 4.510 . 4.510 4.002 3.776 4.209 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 30 ASN HB3 1 32 GLU QG 4.820 . 4.820 3.111 2.845 3.533 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 30 ASN HB3 1 33 GLN H 4.360 . 4.360 2.502 2.307 2.688 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 30 ASN HB3 1 33 GLN HB2 4.590 . 4.590 2.297 2.180 2.462 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 30 ASN HB3 1 33 GLN HB3 4.610 . 4.610 3.921 3.811 4.060 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 30 ASN HB3 1 34 GLN H 3.590 . 3.590 3.668 3.600 3.788 0.198 25 0 "[ . 1 . 2 . 3]" 1
477 1 30 ASN HD21 1 33 GLN H 4.150 . 4.150 3.932 3.600 4.180 0.030 24 0 "[ . 1 . 2 . 3]" 1
478 1 30 ASN HD21 1 33 GLN HB2 4.730 . 4.730 4.254 3.598 4.866 0.136 30 0 "[ . 1 . 2 . 3]" 1
479 1 30 ASN HD21 1 33 GLN QG 3.670 . 3.670 3.021 2.171 3.715 0.045 26 0 "[ . 1 . 2 . 3]" 1
480 1 31 TYR H 1 31 TYR HB2 3.540 . 3.540 2.657 2.565 2.827 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 31 TYR H 1 31 TYR HB3 3.300 . 3.300 2.369 2.230 2.475 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 31 TYR H 1 31 TYR QD 4.350 . 4.350 4.186 4.036 4.248 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 31 TYR H 1 32 GLU H 3.680 . 3.680 2.929 2.789 3.124 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 31 TYR H 1 32 GLU QG 4.730 . 4.730 3.995 3.814 4.506 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 31 TYR H 1 33 GLN H 4.660 . 4.660 4.524 4.341 4.614 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 31 TYR H 1 34 GLN H 5.040 . 5.040 4.803 4.696 4.885 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 31 TYR HA 1 31 TYR QD 3.700 . 3.700 2.821 2.600 3.097 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 31 TYR HA 1 34 GLN H 3.560 . 3.560 3.544 3.386 3.616 0.056 20 0 "[ . 1 . 2 . 3]" 1
489 1 31 TYR HA 1 34 GLN HB2 4.190 . 4.190 2.502 2.291 2.701 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 31 TYR HA 1 34 GLN HB3 4.400 . 4.400 4.023 3.795 4.274 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 31 TYR HA 1 34 GLN HE21 5.500 . 5.500 4.231 3.881 4.485 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 31 TYR HA 1 34 GLN HG2 4.950 . 4.950 4.746 4.347 4.949 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 31 TYR HA 1 34 GLN HG3 4.660 . 4.660 3.713 3.388 3.844 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 31 TYR HA 1 35 GLN HG2 4.810 . 4.810 4.194 4.074 4.352 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 31 TYR HB2 1 32 GLU H 4.730 . 4.730 4.006 3.913 4.132 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 31 TYR HB3 1 32 GLU H 3.380 . 3.380 2.631 2.484 2.883 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 31 TYR HB3 1 32 GLU QG 4.790 . 4.790 4.258 3.844 4.717 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 31 TYR QD 1 32 GLU H 4.200 . 4.200 3.108 2.783 3.302 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 31 TYR QD 1 32 GLU HA 3.970 . 3.970 3.346 3.136 3.629 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 31 TYR QD 1 32 GLU HB3 4.540 . 4.540 3.519 3.259 3.810 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 31 TYR QD 1 32 GLU QG 4.490 . 4.490 4.480 4.138 4.616 0.126 15 0 "[ . 1 . 2 . 3]" 1
502 1 31 TYR QD 1 34 GLN HB2 5.330 . 5.330 4.141 3.795 4.424 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 31 TYR QD 1 35 GLN HG2 4.600 . 4.600 3.733 3.450 3.934 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 31 TYR QD 1 35 GLN HG3 4.820 . 4.820 4.133 3.821 4.302 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 31 TYR QE 1 32 GLU H 5.310 . 5.310 5.137 4.845 5.307 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 31 TYR QE 1 35 GLN HG3 3.910 . 3.910 3.238 3.009 3.466 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 32 GLU H 1 32 GLU HB2 3.620 . 3.620 3.600 3.541 3.722 0.102 30 0 "[ . 1 . 2 . 3]" 1
508 1 32 GLU H 1 32 GLU HB3 2.950 . 2.950 2.628 2.520 2.734 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 32 GLU H 1 32 GLU QG 3.170 . 3.170 1.956 1.783 2.221 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 32 GLU H 1 33 GLN H 3.420 . 3.420 2.856 2.756 3.018 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 32 GLU H 1 33 GLN HA 5.460 . 5.460 5.446 5.363 5.544 0.084 30 0 "[ . 1 . 2 . 3]" 1
512 1 32 GLU H 1 33 GLN HB2 5.200 . 5.200 5.058 4.941 5.184 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 32 GLU H 1 33 GLN QG 4.850 . 4.850 4.542 4.313 4.739 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 32 GLU H 1 34 GLN H 4.210 . 4.210 4.152 4.043 4.238 0.028 25 0 "[ . 1 . 2 . 3]" 1
515 1 32 GLU H 1 35 GLN H 5.340 . 5.340 4.835 4.750 4.946 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 32 GLU HA 1 32 GLU QG 3.370 . 3.370 3.367 3.315 3.404 0.034 28 0 "[ . 1 . 2 . 3]" 1
517 1 32 GLU HA 1 35 GLN H 3.780 . 3.780 3.468 3.337 3.621 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 32 GLU HA 1 35 GLN HG2 4.180 . 4.180 3.660 3.251 3.963 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 32 GLU HA 1 35 GLN HG3 4.190 . 4.190 3.620 3.289 3.887 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 32 GLU HA 1 36 ILE H 4.850 . 4.850 4.434 4.288 4.698 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 32 GLU HB2 1 33 GLN H 3.560 . 3.560 3.597 3.485 3.740 0.180 28 0 "[ . 1 . 2 . 3]" 1
522 1 32 GLU HB2 1 36 ILE MD 4.120 . 4.120 3.375 3.135 3.610 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 32 GLU HB3 1 32 GLU QG 2.700 . 2.700 2.409 2.343 2.524 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 32 GLU HB3 1 33 GLN H 4.070 . 4.070 4.004 3.921 4.146 0.076 27 0 "[ . 1 . 2 . 3]" 1
525 1 32 GLU HB3 1 36 ILE MD 4.930 . 4.930 4.888 4.673 5.081 0.151 25 0 "[ . 1 . 2 . 3]" 1
526 1 32 GLU QG 1 33 GLN H 3.660 . 3.660 2.066 1.922 2.288 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 32 GLU QG 1 33 GLN HA 4.810 . 4.810 3.610 3.432 3.752 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 32 GLU QG 1 36 ILE H 5.500 . 5.500 5.508 5.380 5.707 0.207 30 0 "[ . 1 . 2 . 3]" 1
529 1 32 GLU QG 1 36 ILE MD 3.570 . 3.570 3.674 3.502 3.946 0.376 29 0 "[ . 1 . 2 . 3]" 1
530 1 33 GLN H 1 33 GLN HB2 3.260 . 3.260 2.460 2.363 2.561 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 33 GLN H 1 33 GLN HB3 3.600 . 3.600 3.597 3.520 3.628 0.028 25 0 "[ . 1 . 2 . 3]" 1
532 1 33 GLN H 1 33 GLN QG 3.300 . 3.300 2.280 2.058 2.473 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 33 GLN H 1 34 GLN H 3.450 . 3.450 2.572 2.480 2.695 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 33 GLN H 1 35 GLN H 4.200 . 4.200 4.026 3.940 4.112 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 33 GLN H 1 36 ILE MD 4.270 . 4.270 4.078 3.964 4.248 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 33 GLN HA 1 33 GLN QG 3.800 . 3.800 2.832 2.352 3.018 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 33 GLN HA 1 36 ILE H 3.610 . 3.610 3.177 3.023 3.304 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 33 GLN HA 1 36 ILE HB 3.540 . 3.540 2.665 2.467 2.900 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 33 GLN HA 1 36 ILE MD 3.320 . 3.320 2.004 1.916 2.094 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 33 GLN HA 1 36 ILE MG 4.200 . 4.200 4.057 3.884 4.209 0.009 30 0 "[ . 1 . 2 . 3]" 1
541 1 33 GLN HB2 1 34 GLN H 3.910 . 3.910 2.688 2.564 2.764 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 33 GLN HB2 1 35 GLN H 5.200 . 5.200 4.976 4.865 5.073 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 33 GLN HB3 1 34 GLN H 3.860 . 3.860 3.696 3.595 3.783 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 33 GLN HB3 1 35 GLN H 5.310 . 5.310 5.384 5.321 5.471 0.161 28 0 "[ . 1 . 2 . 3]" 1
545 1 33 GLN QG 1 34 GLN H 4.140 . 4.140 4.092 3.983 4.203 0.063 27 0 "[ . 1 . 2 . 3]" 1
546 1 33 GLN QG 1 35 GLN H 5.500 . 5.500 5.613 5.458 5.759 0.259 27 0 "[ . 1 . 2 . 3]" 1
547 1 33 GLN QG 1 36 ILE MD 4.490 . 4.490 3.510 2.740 3.850 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 34 GLN H 1 34 GLN HB2 3.400 . 3.400 2.325 2.257 2.431 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 34 GLN H 1 34 GLN HB3 3.590 . 3.590 3.578 3.550 3.624 0.034 22 0 "[ . 1 . 2 . 3]" 1
550 1 34 GLN H 1 34 GLN HG2 4.170 . 4.170 3.788 3.646 3.870 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 34 GLN H 1 34 GLN HG3 3.550 . 3.550 2.526 2.324 2.696 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 34 GLN H 1 35 GLN H 3.580 . 3.580 2.695 2.643 2.745 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 34 GLN H 1 35 GLN QB 5.280 . 5.280 4.740 4.653 4.857 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 34 GLN H 1 35 GLN HG2 5.500 . 5.500 4.632 4.465 4.767 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 34 GLN H 1 36 ILE H 4.380 . 4.380 4.242 4.161 4.357 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 34 GLN HA 1 37 LEU H 5.320 . 5.320 3.587 3.502 3.706 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 34 GLN HA 1 37 LEU HB2 4.790 . 4.790 3.677 3.464 3.894 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 34 GLN HA 1 37 LEU HB3 4.470 . 4.470 2.948 2.682 3.160 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 34 GLN HA 1 37 LEU QD 4.560 . 4.560 3.415 3.132 3.636 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 34 GLN HB2 1 35 GLN H 3.600 . 3.600 2.794 2.667 2.851 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 34 GLN HB2 1 36 ILE H 5.500 . 5.500 5.130 5.023 5.218 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 34 GLN HB2 1 38 ILE MD 5.500 . 5.500 4.164 3.956 4.557 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 34 GLN HB3 1 35 GLN H 4.290 . 4.290 3.586 3.492 3.706 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 34 GLN HB3 1 38 ILE MD 4.500 . 4.500 2.954 2.736 3.319 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 34 GLN HG2 1 35 GLN H 5.300 . 5.300 5.158 5.079 5.212 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 35 GLN H 1 35 GLN QB 3.020 . 3.020 2.377 2.259 2.526 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 35 GLN H 1 35 GLN QE 4.390 . 4.390 3.894 3.540 4.144 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 35 GLN H 1 35 GLN HG2 3.280 . 3.280 2.530 2.389 2.593 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 35 GLN H 1 35 GLN HG3 3.760 . 3.760 3.757 3.601 3.833 0.073 22 0 "[ . 1 . 2 . 3]" 1
570 1 35 GLN H 1 36 ILE H 3.660 . 3.660 2.537 2.444 2.643 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 35 GLN H 1 36 ILE HA 5.360 . 5.360 5.220 5.144 5.279 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 35 GLN H 1 36 ILE HB 4.640 . 4.640 4.658 4.564 4.751 0.111 28 0 "[ . 1 . 2 . 3]" 1
573 1 35 GLN H 1 36 ILE HG13 4.150 . 4.150 4.163 3.948 4.245 0.095 27 0 "[ . 1 . 2 . 3]" 1
574 1 35 GLN H 1 38 ILE MD 4.750 . 4.750 4.263 4.037 4.504 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 35 GLN HA 1 35 GLN HG2 3.910 . 3.910 2.943 2.715 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 35 GLN HA 1 35 GLN HG3 4.030 . 4.030 3.746 3.634 3.818 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 35 GLN HA 1 37 LEU H 5.500 . 5.500 4.370 4.164 4.587 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 35 GLN HA 1 38 ILE H 4.150 . 4.150 3.442 3.218 3.803 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 35 GLN HA 1 38 ILE HB 3.720 . 3.720 2.715 2.472 3.259 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 35 GLN HA 1 38 ILE MD 3.400 . 3.400 2.399 2.138 2.709 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 35 GLN QB 1 36 ILE H 3.400 . 3.400 2.643 2.545 2.714 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 35 GLN QB 1 38 ILE MD 4.950 . 4.950 4.219 3.979 4.487 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 35 GLN QE 1 35 GLN HG2 3.270 . 3.270 2.121 2.083 2.232 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 35 GLN QE 1 38 ILE MD 3.540 . 3.540 2.658 2.423 2.956 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 35 GLN HE21 1 38 ILE MD 4.050 . 4.050 3.056 2.580 3.465 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 35 GLN HE22 1 35 GLN HG2 3.740 . 3.740 3.460 3.426 3.558 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 35 GLN HE22 1 38 ILE MD 4.050 . 4.050 2.951 2.640 3.370 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 35 GLN HG2 1 36 ILE H 4.660 . 4.660 4.491 4.377 4.572 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 35 GLN HG2 1 38 ILE MD 5.320 . 5.320 4.049 3.710 4.412 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 35 GLN HG3 1 36 ILE H 5.120 . 5.120 5.026 4.845 5.109 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 36 ILE H 1 36 ILE HB 3.390 . 3.390 2.459 2.377 2.537 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 36 ILE H 1 36 ILE MD 3.460 . 3.460 3.352 3.258 3.447 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 36 ILE H 1 36 ILE HG12 3.510 . 3.510 3.527 3.439 3.576 0.066 14 0 "[ . 1 . 2 . 3]" 1
594 1 36 ILE H 1 36 ILE HG13 3.000 . 3.000 2.116 2.051 2.164 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 36 ILE H 1 36 ILE MG 3.880 . 3.880 3.789 3.714 3.846 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 36 ILE H 1 37 LEU H 3.710 . 3.710 2.667 2.503 2.740 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 36 ILE H 1 38 ILE H 5.500 . 5.500 4.326 4.229 4.463 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 36 ILE HA 1 36 ILE MD 3.920 . 3.920 3.916 3.831 3.961 0.041 21 0 "[ . 1 . 2 . 3]" 1
599 1 36 ILE HA 1 36 ILE HG12 3.610 . 3.610 2.645 2.540 2.778 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 36 ILE HA 1 36 ILE HG13 3.680 . 3.680 2.847 2.807 2.893 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 36 ILE HA 1 36 ILE MG 3.210 . 3.210 2.478 2.407 2.557 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 36 ILE HA 1 39 ARG H 4.980 . 4.980 3.607 3.373 3.873 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 36 ILE HA 1 39 ARG QB 4.020 . 4.020 2.857 2.582 3.538 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 36 ILE HA 1 39 ARG QG 4.570 . 4.570 4.244 2.913 4.681 0.111 30 0 "[ . 1 . 2 . 3]" 1
605 1 36 ILE HA 1 40 GLN H 5.500 . 5.500 4.486 4.224 4.934 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 36 ILE HB 1 36 ILE MD 3.140 . 3.140 2.316 2.252 2.413 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 36 ILE HB 1 37 LEU H 3.800 . 3.800 2.562 2.426 2.789 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 36 ILE MD 1 37 LEU H 4.570 . 4.570 4.417 4.298 4.594 0.024 24 0 "[ . 1 . 2 . 3]" 1
609 1 36 ILE HG12 1 36 ILE MG 3.120 . 3.120 2.350 2.255 2.465 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 36 ILE HG13 1 36 ILE MG 3.640 . 3.640 3.232 3.205 3.265 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 36 ILE HG13 1 37 LEU H 4.900 . 4.900 4.259 4.108 4.352 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 36 ILE MG 1 37 LEU H 3.870 . 3.870 3.407 3.267 3.538 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 36 ILE MG 1 37 LEU HA 4.870 . 4.870 3.400 3.255 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 36 ILE MG 1 40 GLN H 4.640 . 4.640 4.312 4.096 4.681 0.041 30 0 "[ . 1 . 2 . 3]" 1
615 1 37 LEU H 1 37 LEU HB3 3.870 . 3.870 2.486 2.412 2.639 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 37 LEU H 1 37 LEU MD1 4.600 . 4.600 4.147 4.028 4.209 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 37 LEU H 1 37 LEU QD 3.960 . 3.960 3.704 3.645 3.778 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 37 LEU H 1 37 LEU MD2 4.600 . 4.600 4.169 4.072 4.273 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 37 LEU H 1 37 LEU HG 4.680 . 4.680 4.505 4.451 4.562 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 37 LEU H 1 38 ILE H 4.230 . 4.230 2.786 2.663 2.903 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 37 LEU H 1 38 ILE MD 5.160 . 5.160 5.042 4.807 5.140 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 37 LEU HA 1 37 LEU QD 3.540 . 3.540 2.154 2.025 2.218 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 37 LEU HB3 1 38 ILE H 4.210 . 4.210 2.426 2.276 2.500 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 37 LEU HB3 1 38 ILE MD 4.440 . 4.440 4.431 4.331 4.563 0.123 30 0 "[ . 1 . 2 . 3]" 1
625 1 37 LEU QD 1 38 ILE H 4.290 . 4.290 3.837 3.774 3.921 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 37 LEU QD 1 40 GLN H 4.820 . 4.820 4.250 3.964 4.456 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 37 LEU QD 1 41 LEU H 4.310 . 4.310 3.801 3.556 4.064 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 37 LEU QD 1 41 LEU HA 5.170 . 5.170 4.801 4.535 5.074 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 37 LEU QD 1 41 LEU QD 2.960 . 2.960 2.476 2.221 2.679 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 37 LEU QD 1 41 LEU HG 4.150 . 4.150 2.893 2.650 3.179 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 37 LEU MD1 1 38 ILE H 4.980 . 4.980 4.390 4.266 4.522 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 37 LEU MD1 1 41 LEU MD1 4.600 . 4.600 3.387 3.072 3.764 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 37 LEU MD1 1 41 LEU MD2 4.600 . 4.600 2.732 2.333 3.150 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 37 LEU MD2 1 38 ILE H 4.980 . 4.980 4.236 4.154 4.352 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 37 LEU MD2 1 41 LEU MD1 4.600 . 4.600 3.326 2.968 4.040 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 37 LEU MD2 1 41 LEU MD2 4.600 . 4.600 3.774 3.463 4.293 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 37 LEU HG 1 38 ILE H 4.640 . 4.640 3.651 3.485 3.869 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 37 LEU HG 1 38 ILE HA 5.500 . 5.500 3.763 3.651 4.011 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 37 LEU HG 1 38 ILE MD 5.360 . 5.360 5.337 5.194 5.627 0.267 29 0 "[ . 1 . 2 . 3]" 1
640 1 37 LEU HG 1 41 LEU MD1 4.380 . 4.380 2.594 2.196 3.239 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 37 LEU HG 1 41 LEU QD 3.750 . 3.750 2.497 2.162 3.050 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 37 LEU HG 1 41 LEU MD2 4.380 . 4.380 3.335 3.132 3.720 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 38 ILE H 1 38 ILE HB 3.390 . 3.390 2.474 2.426 2.610 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 38 ILE H 1 38 ILE MD 3.700 . 3.700 3.314 3.215 3.423 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 38 ILE H 1 38 ILE HG12 4.120 . 4.120 3.635 3.503 3.770 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 38 ILE H 1 38 ILE QG 3.460 . 3.460 2.179 2.042 2.337 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 38 ILE H 1 38 ILE HG13 4.120 . 4.120 2.197 2.056 2.360 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 38 ILE H 1 39 ARG H 4.510 . 4.510 2.816 2.718 2.929 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 38 ILE H 1 41 LEU MD1 5.500 . 5.500 4.220 3.838 4.983 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 38 ILE H 1 41 LEU MD2 5.500 . 5.500 5.753 5.560 5.949 0.449 30 0 "[ . 1 . 2 . 3]" 1
651 1 38 ILE HA 1 38 ILE MD 3.940 . 3.940 3.878 3.827 3.959 0.019 26 0 "[ . 1 . 2 . 3]" 1
652 1 38 ILE HA 1 38 ILE HG12 4.010 . 4.010 2.644 2.562 2.711 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 38 ILE HA 1 38 ILE HG13 4.010 . 4.010 2.705 2.630 2.889 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 38 ILE HA 1 38 ILE MG 3.370 . 3.370 2.500 2.434 2.551 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 38 ILE HA 1 41 LEU H 4.540 . 4.540 3.260 3.072 3.395 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 38 ILE HA 1 41 LEU HB2 4.720 . 4.720 2.661 2.176 2.982 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 38 ILE HA 1 41 LEU QB 3.980 . 3.980 2.634 2.162 2.943 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 38 ILE HA 1 41 LEU HB3 4.720 . 4.720 4.235 3.762 4.555 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 38 ILE HA 1 41 LEU MD1 4.450 . 4.450 2.291 1.977 3.033 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 38 ILE HA 1 41 LEU QD 3.600 . 3.600 2.281 1.975 2.978 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 38 ILE HA 1 41 LEU MD2 4.450 . 4.450 4.406 4.264 4.571 0.121 25 0 "[ . 1 . 2 . 3]" 1
662 1 38 ILE HA 1 42 GLN H 5.070 . 5.070 3.983 3.750 4.291 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 38 ILE HB 1 38 ILE MD 3.240 . 3.240 2.295 2.209 2.365 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 38 ILE HB 1 39 ARG H 4.110 . 4.110 2.749 2.555 2.920 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 38 ILE MD 1 39 ARG H 5.430 . 5.430 4.569 4.387 4.735 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 38 ILE QG 1 38 ILE MG 3.080 . 3.080 2.242 2.149 2.311 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 38 ILE QG 1 41 LEU QD 4.760 . 4.760 2.972 2.517 3.633 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 38 ILE HG12 1 38 ILE MG 3.550 . 3.550 2.290 2.185 2.369 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 38 ILE HG13 1 38 ILE MG 3.550 . 3.550 3.198 3.147 3.245 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 38 ILE MG 1 39 ARG H 4.120 . 4.120 3.425 3.291 3.690 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 38 ILE MG 1 39 ARG HA 4.090 . 4.090 3.430 3.307 3.659 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 38 ILE MG 1 42 GLN H 4.510 . 4.510 3.889 3.699 4.177 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 38 ILE MG 1 42 GLN QB 4.720 . 4.720 3.880 3.646 4.239 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 38 ILE MG 1 42 GLN HE21 4.170 . 4.170 2.910 2.224 3.289 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 38 ILE MG 1 42 GLN QE 3.510 . 3.510 2.582 2.127 2.859 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 38 ILE MG 1 42 GLN HE22 4.170 . 4.170 2.982 2.582 3.866 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 38 ILE MG 1 42 GLN HG2 4.140 . 4.140 3.641 2.564 4.027 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 38 ILE MG 1 42 GLN QG 3.600 . 3.600 2.623 2.341 2.932 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 38 ILE MG 1 42 GLN HG3 4.140 . 4.140 2.722 2.382 3.148 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 39 ARG H 1 39 ARG QB 3.610 . 3.610 2.239 2.062 2.567 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 39 ARG H 1 39 ARG QG 4.490 . 4.490 3.496 2.012 4.040 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 39 ARG H 1 40 GLN H 4.000 . 4.000 2.770 2.656 2.883 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 39 ARG HA 1 39 ARG QD 4.330 . 4.330 3.671 2.096 4.222 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 39 ARG HA 1 39 ARG HG2 4.030 . 4.030 2.719 2.306 3.750 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 39 ARG HA 1 39 ARG HG3 4.030 . 4.030 3.062 2.161 3.744 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 39 ARG HA 1 42 GLN H 4.220 . 4.220 3.625 3.287 3.898 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 39 ARG HA 1 42 GLN QB 4.090 . 4.090 2.915 2.459 3.450 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 39 ARG QB 1 40 GLN H 3.920 . 3.920 2.564 2.355 2.757 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 39 ARG QG 1 40 GLN H 4.570 . 4.570 4.138 3.612 4.569 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 40 GLN H 1 41 LEU H 3.910 . 3.910 2.666 2.448 2.829 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 40 GLN H 1 41 LEU QD 4.750 . 4.750 4.716 4.619 4.840 0.090 4 0 "[ . 1 . 2 . 3]" 1
692 1 40 GLN H 1 41 LEU HG 5.500 . 5.500 4.420 4.230 4.647 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 40 GLN H 1 42 GLN H 4.950 . 4.950 4.202 4.062 4.333 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 41 LEU H 1 41 LEU QB 3.670 . 3.670 2.505 2.334 2.617 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 41 LEU H 1 41 LEU MD1 4.200 . 4.200 3.633 3.410 3.941 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 41 LEU H 1 41 LEU QD 3.600 . 3.600 3.054 2.847 3.205 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 41 LEU H 1 41 LEU MD2 4.200 . 4.200 3.306 2.935 3.616 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 41 LEU H 1 41 LEU HG 4.140 . 4.140 2.292 2.111 2.494 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 41 LEU HA 1 41 LEU QD 3.170 . 3.170 2.228 2.025 2.322 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 41 LEU QB 1 42 GLN H 3.860 . 3.860 2.537 2.372 2.815 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 41 LEU HB2 1 42 GLN H 4.500 . 4.500 2.588 2.407 2.886 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 41 LEU HB3 1 42 GLN H 4.500 . 4.500 3.664 3.493 3.913 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 41 LEU QD 1 42 GLN H 4.640 . 4.640 4.067 3.925 4.228 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 41 LEU QD 1 42 GLN QG 5.280 . 5.280 4.259 4.020 4.632 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 41 LEU MD1 1 42 GLN H 5.370 . 5.370 4.434 4.224 4.785 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 41 LEU MD2 1 42 GLN H 5.370 . 5.370 4.739 4.583 4.874 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 42 GLN H 1 42 GLN HB2 3.910 . 3.910 2.359 2.254 2.565 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 42 GLN H 1 42 GLN QB 3.410 . 3.410 2.328 2.230 2.517 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 42 GLN H 1 42 GLN HB3 3.910 . 3.910 3.577 3.532 3.647 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 42 GLN H 1 42 GLN HG2 4.400 . 4.400 3.538 2.216 3.833 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 42 GLN H 1 42 GLN QG 3.650 . 3.650 2.346 2.192 2.538 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 42 GLN H 1 42 GLN HG3 4.400 . 4.400 2.502 2.242 3.611 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 42 GLN H 1 43 GLU H 4.390 . 4.390 2.668 2.562 2.766 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 43 GLU H 1 43 GLU QG 4.110 . 4.110 3.496 2.204 4.018 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 43 GLU HA 1 46 TYR H 4.390 . 4.390 3.376 3.025 3.684 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 43 GLU HA 1 46 TYR QB 4.350 . 4.350 2.710 2.234 3.146 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 45 HIS HA 1 48 GLN HB2 4.440 . 4.440 3.352 2.544 3.956 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 45 HIS HA 1 48 GLN HB3 4.440 . 4.440 3.168 2.443 4.529 0.089 25 0 "[ . 1 . 2 . 3]" 1
719 1 45 HIS QB 1 46 TYR H 4.300 . 4.300 2.816 2.516 3.165 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 45 HIS HB2 1 46 TYR H 4.880 . 4.880 3.727 3.002 4.101 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 45 HIS HB3 1 46 TYR H 4.880 . 4.880 3.064 2.552 4.048 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 46 TYR H 1 46 TYR QB 3.890 . 3.890 2.233 2.126 2.321 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 46 TYR H 1 46 TYR QD 4.670 . 4.670 4.177 4.042 4.262 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 46 TYR HA 1 46 TYR QD 3.860 . 3.860 2.579 2.162 2.923 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 46 TYR HA 1 46 TYR QE 5.500 . 5.500 4.488 4.240 4.631 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 46 TYR HA 1 49 TYR QB 4.640 . 4.640 2.586 2.199 2.952 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 46 TYR QB 1 47 GLN H 4.900 . 4.900 2.675 2.549 2.832 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 46 TYR QD 1 47 GLN H 4.910 . 4.910 3.972 3.648 4.346 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 46 TYR QD 1 47 GLN HA 4.690 . 4.690 3.789 3.270 4.499 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 46 TYR QD 1 47 GLN QG 4.810 . 4.810 3.907 3.100 4.798 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 46 TYR QD 1 50 MET H 5.290 . 5.290 4.731 4.485 4.946 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 46 TYR QD 1 50 MET ME 4.590 . 4.590 3.969 3.436 4.241 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 46 TYR QE 1 50 MET ME 3.670 . 3.670 2.975 2.174 3.175 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 46 TYR QE 1 50 MET HG2 5.500 . 5.500 4.700 3.246 5.387 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 46 TYR QE 1 50 MET QG 4.680 . 4.680 4.350 2.851 4.914 0.234 30 0 "[ . 1 . 2 . 3]" 1
736 1 46 TYR QE 1 50 MET HG3 5.500 . 5.500 5.175 3.006 5.670 0.170 30 0 "[ . 1 . 2 . 3]" 1
737 1 47 GLN H 1 47 GLN QG 4.280 . 4.280 2.378 2.036 3.922 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 47 GLN H 1 48 GLN H 4.100 . 4.100 2.681 2.559 2.786 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 47 GLN HA 1 50 MET H 5.000 . 5.000 3.398 3.162 3.752 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 47 GLN HA 1 50 MET QB 4.260 . 4.260 2.815 2.267 3.173 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 47 GLN HA 1 50 MET ME 5.240 . 5.240 5.098 4.736 5.435 0.195 23 0 "[ . 1 . 2 . 3]" 1
742 1 47 GLN HA 1 51 GLN H 5.210 . 5.210 4.145 3.849 4.570 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 48 GLN H 1 48 GLN HB2 3.690 . 3.690 2.410 2.028 2.510 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 48 GLN H 1 48 GLN QB 3.020 . 3.020 2.219 2.013 2.334 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 48 GLN H 1 48 GLN HB3 3.690 . 3.690 2.649 2.472 3.646 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 48 GLN H 1 49 TYR H 4.030 . 4.030 2.648 2.525 2.754 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 48 GLN H 1 51 GLN H 5.270 . 5.270 4.741 4.567 4.904 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 48 GLN HB2 1 49 TYR H 4.840 . 4.840 3.740 2.912 3.889 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 48 GLN HB3 1 49 TYR H 4.840 . 4.840 2.605 2.411 3.585 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 49 TYR H 1 49 TYR HB2 4.010 . 4.010 2.334 2.230 2.437 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 49 TYR H 1 49 TYR HB3 4.010 . 4.010 2.659 2.543 2.762 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 49 TYR H 1 49 TYR QD 4.440 . 4.440 4.145 4.059 4.225 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 49 TYR H 1 50 MET H 4.410 . 4.410 2.717 2.523 2.847 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 49 TYR HA 1 49 TYR QD 3.700 . 3.700 2.615 2.154 3.042 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 49 TYR HA 1 49 TYR QE 4.640 . 4.640 4.502 4.333 4.707 0.067 27 0 "[ . 1 . 2 . 3]" 1
756 1 49 TYR HA 1 50 MET ME 5.060 . 5.060 5.134 4.612 5.367 0.307 29 0 "[ . 1 . 2 . 3]" 1
757 1 49 TYR HA 1 53 LEU QB 5.500 . 5.500 5.363 5.212 5.564 0.064 13 0 "[ . 1 . 2 . 3]" 1
758 1 49 TYR HA 1 53 LEU QD 4.540 . 4.540 4.555 4.394 4.734 0.194 22 0 "[ . 1 . 2 . 3]" 1
759 1 49 TYR QB 1 50 MET H 4.010 . 4.010 2.561 2.322 2.724 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 49 TYR HB2 1 50 MET H 4.570 . 4.570 3.780 3.570 3.913 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 49 TYR HB3 1 50 MET H 4.570 . 4.570 2.605 2.353 2.783 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 49 TYR QD 1 50 MET H 4.420 . 4.420 3.961 3.624 4.180 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 49 TYR QD 1 50 MET HA 4.310 . 4.310 3.896 3.441 4.342 0.032 25 0 "[ . 1 . 2 . 3]" 1
764 1 49 TYR QD 1 50 MET ME 4.070 . 4.070 2.683 2.118 3.101 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 49 TYR QD 1 53 LEU QB 4.870 . 4.870 4.649 4.344 4.941 0.071 15 0 "[ . 1 . 2 . 3]" 1
766 1 49 TYR QD 1 53 LEU QD 4.050 . 4.050 2.700 2.405 3.298 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 49 TYR QE 1 53 LEU QB 5.210 . 5.210 4.954 4.757 5.177 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 49 TYR QE 1 53 LEU QD 3.550 . 3.550 2.242 2.015 2.517 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 50 MET H 1 50 MET HB2 4.190 . 4.190 2.242 2.107 2.568 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 50 MET H 1 50 MET QB 3.630 . 3.630 2.174 2.073 2.519 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 50 MET H 1 50 MET HB3 4.190 . 4.190 2.959 2.756 3.643 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 50 MET H 1 50 MET ME 3.920 . 3.920 3.276 2.921 3.615 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 50 MET H 1 50 MET QG 4.640 . 4.640 3.855 2.277 4.096 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 50 MET H 1 51 GLN H 3.870 . 3.870 2.670 2.548 2.782 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 50 MET HA 1 50 MET ME 3.750 . 3.750 2.185 1.996 2.563 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 50 MET HA 1 53 LEU QB 3.590 . 3.590 2.607 2.399 2.995 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 50 MET HA 1 53 LEU QD 4.200 . 4.200 2.642 2.381 3.147 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 50 MET HA 1 53 LEU HG 4.750 . 4.750 3.894 3.652 4.753 0.003 26 0 "[ . 1 . 2 . 3]" 1
779 1 50 MET QB 1 51 GLN H 3.680 . 3.680 2.633 2.548 2.849 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 50 MET HB2 1 51 GLN H 4.200 . 4.200 3.534 2.615 3.802 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 50 MET HB3 1 51 GLN H 4.200 . 4.200 2.798 2.597 3.737 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 50 MET ME 1 51 GLN H 4.860 . 4.860 4.885 4.729 5.112 0.252 26 0 "[ . 1 . 2 . 3]" 1
783 1 50 MET ME 1 53 LEU H 5.500 . 5.500 4.674 4.233 4.940 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 50 MET ME 1 53 LEU QB 5.500 . 5.500 3.258 2.654 3.680 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 50 MET ME 1 53 LEU QD 3.370 . 3.370 2.115 1.970 2.341 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 50 MET QG 1 53 LEU H 5.340 . 5.340 4.972 4.720 5.601 0.261 25 0 "[ . 1 . 2 . 3]" 1
787 1 50 MET QG 1 53 LEU QB 5.150 . 5.150 3.694 3.348 4.914 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 51 GLN H 1 51 GLN QB 3.060 . 3.060 2.260 2.069 2.419 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 51 GLN HA 1 51 GLN QB 2.710 . 2.710 2.409 2.319 2.550 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 51 GLN HA 1 53 LEU QB 5.500 . 5.500 5.080 4.870 5.280 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 51 GLN HA 1 54 TYR H 4.100 . 4.100 3.424 3.130 3.638 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 51 GLN HA 1 54 TYR QB 3.680 . 3.680 2.615 2.204 2.942 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 51 GLN HA 1 54 TYR QD 4.920 . 4.920 3.586 3.120 4.186 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 51 GLN QB 1 54 TYR QB 5.050 . 5.050 4.375 3.900 4.661 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 52 GLN H 1 52 GLN HB2 3.440 . 3.440 2.432 2.278 2.587 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 52 GLN H 1 52 GLN HB3 3.230 . 3.230 2.600 2.450 2.740 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 52 GLN H 1 52 GLN QG 4.390 . 4.390 4.014 3.895 4.124 . 0 0 "[ . 1 . 2 . 3]" 1
798 1 52 GLN HA 1 52 GLN QG 3.590 . 3.590 2.601 2.274 3.023 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 52 GLN HA 1 53 LEU QB 5.500 . 5.500 5.399 5.283 5.494 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 52 GLN HA 1 54 TYR H 4.530 . 4.530 4.192 4.016 4.340 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 52 GLN HA 1 55 GLN H 3.800 . 3.800 3.439 3.310 3.658 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 52 GLN HA 1 55 GLN QG 4.040 . 4.040 3.086 2.742 3.341 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 52 GLN HA 1 56 VAL H 4.600 . 4.600 4.401 4.198 4.629 0.029 21 0 "[ . 1 . 2 . 3]" 1
804 1 52 GLN HA 1 56 VAL MG2 4.980 . 4.980 4.113 3.908 4.342 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 52 GLN HB2 1 53 LEU H 4.160 . 4.160 3.819 3.663 3.926 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 52 GLN HB3 1 53 LEU H 3.550 . 3.550 2.558 2.289 2.680 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 52 GLN HB3 1 53 LEU QB 5.010 . 5.010 4.493 4.105 4.618 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 52 GLN HB3 1 53 LEU QD 4.310 . 4.310 4.161 4.034 4.407 0.097 27 0 "[ . 1 . 2 . 3]" 1
809 1 52 GLN HB3 1 53 LEU HG 4.890 . 4.890 3.662 3.409 3.992 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 52 GLN QG 1 53 LEU H 4.410 . 4.410 3.769 3.518 3.979 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 52 GLN QG 1 53 LEU QD 4.780 . 4.780 4.130 3.767 4.457 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 52 GLN QG 1 53 LEU HG 4.760 . 4.760 4.486 3.948 4.804 0.044 20 0 "[ . 1 . 2 . 3]" 1
813 1 52 GLN QG 1 56 VAL H 5.010 . 5.010 4.254 3.963 4.530 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 52 GLN QG 1 56 VAL MG2 3.620 . 3.620 2.622 2.333 2.911 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 52 GLN HG2 1 53 LEU H 5.170 . 5.170 4.282 3.763 4.902 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 52 GLN HG2 1 56 VAL MG2 4.210 . 4.210 3.262 2.381 4.300 0.090 21 0 "[ . 1 . 2 . 3]" 1
817 1 52 GLN HG3 1 53 LEU H 5.170 . 5.170 4.448 3.705 4.936 . 0 0 "[ . 1 . 2 . 3]" 1
818 1 52 GLN HG3 1 56 VAL MG2 4.210 . 4.210 3.241 2.553 3.995 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 53 LEU H 1 53 LEU QB 2.580 . 2.580 2.280 2.119 2.364 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 53 LEU H 1 53 LEU QD 4.010 . 4.010 3.274 3.194 3.348 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 53 LEU H 1 53 LEU HG 3.590 . 3.590 2.646 2.487 3.015 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 53 LEU H 1 54 TYR H 3.260 . 3.260 2.726 2.653 2.848 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 53 LEU H 1 54 TYR QB 4.860 . 4.860 4.385 4.298 4.523 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 53 LEU H 1 55 GLN QG 5.440 . 5.440 5.328 5.095 5.504 0.064 27 0 "[ . 1 . 2 . 3]" 1
825 1 53 LEU HA 1 53 LEU QD 3.250 . 3.250 2.093 1.987 2.224 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 53 LEU HA 1 53 LEU HG 4.220 . 4.220 2.884 2.401 3.085 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 53 LEU HA 1 54 TYR HA 5.340 . 5.340 4.789 4.700 4.849 . 0 0 "[ . 1 . 2 . 3]" 1
828 1 53 LEU HA 1 56 VAL H 3.850 . 3.850 3.126 2.896 3.333 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 53 LEU HA 1 56 VAL HB 3.700 . 3.700 2.375 2.143 2.654 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 53 LEU HA 1 56 VAL MG1 4.250 . 4.250 3.825 3.623 4.087 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 53 LEU HA 1 56 VAL MG2 3.560 . 3.560 2.784 2.592 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 53 LEU HA 1 57 GLN H 4.500 . 4.500 3.919 3.769 4.058 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 53 LEU QB 1 54 TYR H 3.290 . 3.290 2.825 2.700 2.942 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 53 LEU QB 1 54 TYR HA 4.640 . 4.640 3.938 3.857 4.015 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 53 LEU QB 1 54 TYR QB 4.770 . 4.770 4.088 3.938 4.203 . 0 0 "[ . 1 . 2 . 3]" 1
836 1 53 LEU QB 1 55 GLN H 5.500 . 5.500 4.781 4.732 4.832 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 53 LEU QB 1 56 VAL HB 4.700 . 4.700 4.008 3.830 4.271 . 0 0 "[ . 1 . 2 . 3]" 1
838 1 53 LEU QB 1 56 VAL MG2 4.980 . 4.980 4.501 4.315 4.720 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 53 LEU QB 1 57 GLN HB2 4.990 . 4.990 4.944 4.692 5.098 0.108 8 0 "[ . 1 . 2 . 3]" 1
840 1 53 LEU QB 1 57 GLN QG 4.700 . 4.700 3.613 3.330 4.128 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 53 LEU QD 1 54 TYR H 4.470 . 4.470 4.280 4.231 4.344 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 53 LEU QD 1 56 VAL H 5.190 . 5.190 4.507 4.212 4.754 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 53 LEU QD 1 56 VAL HB 4.260 . 4.260 3.040 2.593 3.412 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 53 LEU QD 1 57 GLN H 4.980 . 4.980 4.600 4.169 4.802 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 53 LEU QD 1 57 GLN HG2 5.090 . 5.090 4.462 3.428 5.166 0.076 3 0 "[ . 1 . 2 . 3]" 1
846 1 53 LEU QD 1 57 GLN QG 4.410 . 4.410 3.966 3.298 4.216 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 53 LEU QD 1 57 GLN HG3 5.090 . 5.090 4.549 3.870 5.097 0.007 30 0 "[ . 1 . 2 . 3]" 1
848 1 53 LEU HG 1 54 TYR H 4.870 . 4.870 4.771 4.692 4.888 0.018 20 0 "[ . 1 . 2 . 3]" 1
849 1 54 TYR H 1 54 TYR QB 3.220 . 3.220 2.061 1.963 2.128 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 54 TYR H 1 54 TYR QD 4.240 . 4.240 3.823 3.638 4.014 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 54 TYR H 1 55 GLN H 3.590 . 3.590 2.649 2.520 2.788 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 54 TYR H 1 55 GLN QG 4.460 . 4.460 4.137 3.973 4.262 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 54 TYR H 1 56 VAL MG2 4.920 . 4.920 4.951 4.747 5.056 0.136 23 0 "[ . 1 . 2 . 3]" 1
854 1 54 TYR HA 1 54 TYR QD 3.410 . 3.410 3.080 2.953 3.204 . 0 0 "[ . 1 . 2 . 3]" 1
855 1 54 TYR HA 1 55 GLN HA 5.500 . 5.500 4.759 4.697 4.812 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 54 TYR HA 1 57 GLN H 4.010 . 4.010 3.375 3.181 3.532 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 54 TYR HA 1 57 GLN HB2 3.610 . 3.610 2.563 2.324 2.845 . 0 0 "[ . 1 . 2 . 3]" 1
858 1 54 TYR HA 1 57 GLN HB3 4.740 . 4.740 4.113 3.749 4.434 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 54 TYR HA 1 58 LEU H 4.530 . 4.530 4.211 4.010 4.438 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 54 TYR QB 1 55 GLN H 3.620 . 3.620 2.895 2.738 3.072 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 54 TYR QB 1 55 GLN QB 5.380 . 5.380 4.873 4.697 5.032 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 54 TYR QB 1 56 VAL H 4.790 . 4.790 4.816 4.702 4.936 0.146 30 0 "[ . 1 . 2 . 3]" 1
863 1 54 TYR QD 1 55 GLN H 4.420 . 4.420 2.923 2.755 3.083 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 54 TYR QD 1 55 GLN QB 4.800 . 4.800 4.178 4.015 4.320 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 54 TYR QD 1 55 GLN QG 4.260 . 4.260 2.325 2.093 2.516 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 54 TYR QD 1 58 LEU QD 4.080 . 4.080 3.458 3.245 3.629 . 0 0 "[ . 1 . 2 . 3]" 1
867 1 54 TYR QD 1 58 LEU HG 5.290 . 5.290 3.958 3.425 5.364 0.074 7 0 "[ . 1 . 2 . 3]" 1
868 1 54 TYR QE 1 55 GLN H 4.900 . 4.900 4.755 4.536 4.896 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 54 TYR QE 1 55 GLN QB 4.740 . 4.740 4.842 4.630 4.983 0.243 22 0 "[ . 1 . 2 . 3]" 1
870 1 54 TYR QE 1 55 GLN QG 3.540 . 3.540 2.856 2.573 3.079 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 54 TYR QE 1 58 LEU H 5.500 . 5.500 5.513 5.236 5.675 0.175 23 0 "[ . 1 . 2 . 3]" 1
872 1 54 TYR QE 1 58 LEU QB 4.680 . 4.680 4.634 3.741 4.867 0.187 22 0 "[ . 1 . 2 . 3]" 1
873 1 54 TYR QE 1 58 LEU QD 3.540 . 3.540 2.530 2.203 2.859 . 0 0 "[ . 1 . 2 . 3]" 1
874 1 55 GLN H 1 55 GLN QB 2.980 . 2.980 2.496 2.423 2.562 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 55 GLN H 1 55 GLN QG 3.200 . 3.200 2.140 2.032 2.236 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 55 GLN H 1 56 VAL MG2 4.310 . 4.310 4.063 3.961 4.146 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 55 GLN H 1 58 LEU H 5.290 . 5.290 4.806 4.677 4.927 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 55 GLN H 1 58 LEU QB 5.500 . 5.500 5.271 4.968 5.663 0.163 15 0 "[ . 1 . 2 . 3]" 1
879 1 55 GLN H 1 58 LEU QD 4.950 . 4.950 4.642 3.960 4.996 0.046 24 0 "[ . 1 . 2 . 3]" 1
880 1 55 GLN H 1 58 LEU HG 5.500 . 5.500 5.364 5.078 5.547 0.047 29 0 "[ . 1 . 2 . 3]" 1
881 1 55 GLN HA 1 55 GLN QG 3.360 . 3.360 2.452 2.364 2.569 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 55 GLN HA 1 57 GLN H 4.930 . 4.930 4.345 4.193 4.470 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 55 GLN HA 1 58 LEU H 3.810 . 3.810 3.362 3.178 3.531 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 55 GLN HA 1 58 LEU QB 3.950 . 3.950 2.876 2.473 3.784 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 55 GLN HA 1 58 LEU QD 3.690 . 3.690 2.596 2.071 3.053 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 55 GLN HA 1 58 LEU HG 4.440 . 4.440 3.382 2.386 3.714 . 0 0 "[ . 1 . 2 . 3]" 1
887 1 55 GLN HA 1 59 ALA H 4.380 . 4.380 4.111 3.969 4.283 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 55 GLN QB 1 56 VAL H 3.190 . 3.190 2.662 2.512 2.787 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 55 GLN QB 1 56 VAL HA 4.400 . 4.400 3.942 3.748 4.059 . 0 0 "[ . 1 . 2 . 3]" 1
890 1 55 GLN QB 1 56 VAL MG2 4.080 . 4.080 3.178 3.052 3.349 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 55 GLN QB 1 58 LEU QD 4.120 . 4.120 4.033 3.385 4.524 0.404 24 0 "[ . 1 . 2 . 3]" 1
892 1 55 GLN QB 1 58 LEU HG 5.500 . 5.500 5.231 3.829 5.629 0.129 23 0 "[ . 1 . 2 . 3]" 1
893 1 55 GLN QG 1 56 VAL H 3.890 . 3.890 3.960 3.830 4.091 0.201 30 0 "[ . 1 . 2 . 3]" 1
894 1 55 GLN QG 1 56 VAL MG2 4.530 . 4.530 4.763 4.623 4.885 0.355 30 0 "[ . 1 . 2 . 3]" 1
895 1 55 GLN QG 1 58 LEU QD 4.510 . 4.510 3.497 2.942 3.993 . 0 0 "[ . 1 . 2 . 3]" 1
896 1 55 GLN QG 1 58 LEU HG 5.500 . 5.500 5.056 4.402 5.328 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 56 VAL H 1 56 VAL HB 3.180 . 3.180 2.488 2.429 2.539 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 56 VAL H 1 56 VAL MG1 3.860 . 3.860 3.808 3.775 3.848 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 56 VAL H 1 56 VAL MG2 2.860 . 2.860 2.230 2.154 2.430 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 56 VAL H 1 57 GLN H 3.300 . 3.300 2.605 2.439 2.787 . 0 0 "[ . 1 . 2 . 3]" 1
901 1 56 VAL H 1 57 GLN HB2 4.680 . 4.680 4.472 4.161 4.743 0.063 26 0 "[ . 1 . 2 . 3]" 1
902 1 56 VAL H 1 58 LEU H 4.360 . 4.360 4.187 4.032 4.313 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 56 VAL H 1 59 ALA MB 4.620 . 4.620 4.625 4.466 4.751 0.131 29 0 "[ . 1 . 2 . 3]" 1
904 1 56 VAL HA 1 56 VAL MG1 3.140 . 3.140 2.459 2.362 2.510 . 0 0 "[ . 1 . 2 . 3]" 1
905 1 56 VAL HA 1 56 VAL MG2 2.940 . 2.940 2.394 2.313 2.468 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 56 VAL HA 1 58 LEU H 4.800 . 4.800 4.485 4.294 4.667 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 56 VAL HA 1 59 ALA H 3.750 . 3.750 3.240 3.037 3.464 . 0 0 "[ . 1 . 2 . 3]" 1
908 1 56 VAL HA 1 59 ALA MB 3.100 . 3.100 2.462 2.331 2.615 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 56 VAL HA 1 60 GLN H 4.680 . 4.680 4.182 3.905 4.475 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 56 VAL HA 1 60 GLN QG 4.820 . 4.820 4.287 4.019 4.512 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 56 VAL HB 1 57 GLN H 2.890 . 2.890 2.726 2.596 2.851 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 56 VAL HB 1 57 GLN HA 4.550 . 4.550 4.452 4.361 4.604 0.054 17 0 "[ . 1 . 2 . 3]" 1
913 1 56 VAL HB 1 57 GLN QG 4.830 . 4.830 4.089 3.725 4.507 . 0 0 "[ . 1 . 2 . 3]" 1
914 1 56 VAL MG1 1 57 GLN H 3.830 . 3.830 3.496 3.397 3.707 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 56 VAL MG1 1 57 GLN HA 4.450 . 4.450 3.558 3.414 3.693 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 56 VAL MG1 1 59 ALA H 5.120 . 5.120 4.565 4.380 4.710 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 56 VAL MG1 1 59 ALA MB 3.730 . 3.730 3.308 3.091 3.509 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 56 VAL MG1 1 60 GLN H 4.630 . 4.630 4.077 3.802 4.427 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 56 VAL MG1 1 60 GLN HG2 4.260 . 4.260 4.001 3.261 4.295 0.035 21 0 "[ . 1 . 2 . 3]" 1
920 1 56 VAL MG1 1 60 GLN HG3 4.260 . 4.260 2.932 2.542 3.321 . 0 0 "[ . 1 . 2 . 3]" 1
921 1 56 VAL MG2 1 57 GLN H 4.010 . 4.010 3.950 3.857 4.060 0.050 22 0 "[ . 1 . 2 . 3]" 1
922 1 56 VAL MG2 1 59 ALA H 5.490 . 5.490 5.050 4.890 5.218 . 0 0 "[ . 1 . 2 . 3]" 1
923 1 57 GLN H 1 57 GLN HB2 3.280 . 3.280 2.205 1.976 2.349 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 57 GLN H 1 57 GLN HG2 3.710 . 3.710 3.130 2.699 3.725 0.015 3 0 "[ . 1 . 2 . 3]" 1
925 1 57 GLN H 1 57 GLN QG 3.150 . 3.150 2.810 2.573 3.203 0.053 27 0 "[ . 1 . 2 . 3]" 1
926 1 57 GLN H 1 57 GLN HG3 3.710 . 3.710 3.338 2.628 3.733 0.023 30 0 "[ . 1 . 2 . 3]" 1
927 1 57 GLN H 1 58 LEU H 3.380 . 3.380 2.755 2.632 2.867 . 0 0 "[ . 1 . 2 . 3]" 1
928 1 57 GLN H 1 58 LEU QB 4.840 . 4.840 4.663 4.461 4.860 0.020 19 0 "[ . 1 . 2 . 3]" 1
929 1 57 GLN H 1 58 LEU QD 4.990 . 4.990 4.953 4.660 5.077 0.087 4 0 "[ . 1 . 2 . 3]" 1
930 1 57 GLN H 1 58 LEU HG 5.010 . 5.010 4.844 4.617 5.008 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 57 GLN H 1 59 ALA MB 5.370 . 5.370 4.727 4.565 4.840 . 0 0 "[ . 1 . 2 . 3]" 1
932 1 57 GLN HA 1 57 GLN HB3 3.020 . 3.020 2.667 2.505 2.796 . 0 0 "[ . 1 . 2 . 3]" 1
933 1 57 GLN HA 1 57 GLN QG 3.690 . 3.690 2.305 2.067 2.608 . 0 0 "[ . 1 . 2 . 3]" 1
934 1 57 GLN HA 1 60 GLN H 4.040 . 4.040 3.559 3.329 3.876 . 0 0 "[ . 1 . 2 . 3]" 1
935 1 57 GLN HB2 1 58 LEU H 3.360 . 3.360 2.608 2.477 2.902 . 0 0 "[ . 1 . 2 . 3]" 1
936 1 57 GLN HB2 1 58 LEU QB 5.150 . 5.150 4.551 4.030 4.952 . 0 0 "[ . 1 . 2 . 3]" 1
937 1 57 GLN HB3 1 58 LEU H 3.310 . 3.310 3.133 2.724 3.325 0.015 21 0 "[ . 1 . 2 . 3]" 1
938 1 57 GLN HB3 1 58 LEU QB 4.820 . 4.820 4.795 3.703 5.146 0.326 28 0 "[ . 1 . 2 . 3]" 1
939 1 57 GLN HB3 1 58 LEU QD 4.350 . 4.350 4.138 3.649 4.841 0.491 15 0 "[ . 1 . 2 . 3]" 1
940 1 57 GLN HB3 1 58 LEU HG 5.500 . 5.500 4.430 3.771 5.535 0.035 15 0 "[ . 1 . 2 . 3]" 1
941 1 57 GLN QG 1 58 LEU H 4.860 . 4.860 4.244 4.145 4.421 . 0 0 "[ . 1 . 2 . 3]" 1
942 1 58 LEU H 1 58 LEU HA 2.940 . 2.940 2.858 2.827 2.901 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 58 LEU H 1 58 LEU QB 2.680 . 2.680 2.313 2.227 2.432 . 0 0 "[ . 1 . 2 . 3]" 1
944 1 58 LEU H 1 58 LEU QD 3.380 . 3.380 3.173 2.932 3.283 . 0 0 "[ . 1 . 2 . 3]" 1
945 1 58 LEU H 1 58 LEU HG 3.050 . 3.050 2.549 2.384 2.741 . 0 0 "[ . 1 . 2 . 3]" 1
946 1 58 LEU H 1 59 ALA H 3.000 . 3.000 2.678 2.605 2.760 . 0 0 "[ . 1 . 2 . 3]" 1
947 1 58 LEU HA 1 58 LEU QD 3.270 . 3.270 2.323 1.992 3.374 0.104 15 0 "[ . 1 . 2 . 3]" 1
948 1 58 LEU HA 1 58 LEU HG 4.050 . 4.050 3.205 2.912 3.766 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 58 LEU HA 1 61 GLN QB 4.140 . 4.140 2.641 2.186 3.679 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 58 LEU QB 1 58 LEU QD 2.740 . 2.740 1.912 1.819 1.988 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 58 LEU QB 1 59 ALA H 3.550 . 3.550 2.811 2.532 3.621 0.071 19 0 "[ . 1 . 2 . 3]" 1
952 1 58 LEU QB 1 59 ALA HA 4.680 . 4.680 4.023 3.755 4.727 0.047 7 0 "[ . 1 . 2 . 3]" 1
953 1 58 LEU QB 1 61 GLN QB 4.980 . 4.980 4.000 3.490 5.350 0.370 20 0 "[ . 1 . 2 . 3]" 1
954 1 58 LEU QB 1 61 GLN QG 4.420 . 4.420 4.235 3.397 4.633 0.213 4 0 "[ . 1 . 2 . 3]" 1
955 1 58 LEU QB 1 62 GLN QB 5.500 . 5.500 4.647 4.070 5.269 . 0 0 "[ . 1 . 2 . 3]" 1
956 1 58 LEU QD 1 59 ALA H 4.270 . 4.270 4.007 3.058 4.261 . 0 0 "[ . 1 . 2 . 3]" 1
957 1 58 LEU QD 1 59 ALA HA 5.180 . 5.180 4.713 2.746 5.257 0.077 25 0 "[ . 1 . 2 . 3]" 1
958 1 58 LEU QD 1 60 GLN H 5.500 . 5.500 5.328 4.731 5.545 0.045 26 0 "[ . 1 . 2 . 3]" 1
959 1 58 LEU QD 1 61 GLN H 4.710 . 4.710 4.617 4.417 4.881 0.171 20 0 "[ . 1 . 2 . 3]" 1
960 1 58 LEU QD 1 61 GLN QB 4.520 . 4.520 3.470 2.908 4.314 . 0 0 "[ . 1 . 2 . 3]" 1
961 1 58 LEU QD 1 61 GLN HG2 5.110 . 5.110 4.379 3.042 5.123 0.013 3 0 "[ . 1 . 2 . 3]" 1
962 1 58 LEU QD 1 61 GLN QG 4.340 . 4.340 3.294 2.653 4.497 0.157 19 0 "[ . 1 . 2 . 3]" 1
963 1 58 LEU QD 1 61 GLN HG3 5.110 . 5.110 3.537 2.700 5.188 0.078 15 0 "[ . 1 . 2 . 3]" 1
964 1 58 LEU QD 1 62 GLN H 4.940 . 4.940 4.627 3.778 5.002 0.062 22 0 "[ . 1 . 2 . 3]" 1
965 1 58 LEU QD 1 62 GLN QG 5.340 . 5.340 4.366 2.814 5.366 0.026 29 0 "[ . 1 . 2 . 3]" 1
966 1 58 LEU HG 1 59 ALA H 4.650 . 4.650 4.243 2.450 4.731 0.081 21 0 "[ . 1 . 2 . 3]" 1
967 1 58 LEU HG 1 61 GLN QG 5.340 . 5.340 4.953 4.444 5.518 0.178 19 0 "[ . 1 . 2 . 3]" 1
968 1 59 ALA H 1 59 ALA MB 2.610 . 2.610 2.238 2.169 2.327 . 0 0 "[ . 1 . 2 . 3]" 1
969 1 59 ALA H 1 60 GLN H 2.940 . 2.940 2.709 2.547 2.916 . 0 0 "[ . 1 . 2 . 3]" 1
970 1 59 ALA H 1 60 GLN QG 4.640 . 4.640 4.465 4.279 4.712 0.072 26 0 "[ . 1 . 2 . 3]" 1
971 1 59 ALA H 1 61 GLN H 4.360 . 4.360 4.071 3.936 4.331 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 59 ALA H 1 61 GLN QG 5.110 . 5.110 5.021 4.637 5.195 0.085 28 0 "[ . 1 . 2 . 3]" 1
973 1 59 ALA HA 1 61 GLN H 5.500 . 5.500 4.380 4.216 4.594 . 0 0 "[ . 1 . 2 . 3]" 1
974 1 59 ALA HA 1 62 GLN QB 4.280 . 4.280 3.730 2.663 4.281 0.001 23 0 "[ . 1 . 2 . 3]" 1
975 1 59 ALA MB 1 60 GLN H 2.950 . 2.950 2.518 2.372 2.722 . 0 0 "[ . 1 . 2 . 3]" 1
976 1 59 ALA MB 1 60 GLN HA 3.640 . 3.640 3.805 3.731 3.914 0.274 17 0 "[ . 1 . 2 . 3]" 1
977 1 59 ALA MB 1 60 GLN HG2 4.060 . 4.060 3.970 3.231 4.186 0.126 25 0 "[ . 1 . 2 . 3]" 1
978 1 59 ALA MB 1 60 GLN QG 3.540 . 3.540 3.181 3.032 3.409 . 0 0 "[ . 1 . 2 . 3]" 1
979 1 59 ALA MB 1 60 GLN HG3 4.060 . 4.060 3.405 3.139 4.095 0.035 9 0 "[ . 1 . 2 . 3]" 1
980 1 59 ALA MB 1 61 GLN H 4.880 . 4.880 4.475 4.390 4.599 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 59 ALA MB 1 62 GLN H 4.950 . 4.950 4.720 4.462 4.880 . 0 0 "[ . 1 . 2 . 3]" 1
982 1 60 GLN H 1 60 GLN HA 2.850 . 2.850 2.870 2.836 2.933 0.083 29 0 "[ . 1 . 2 . 3]" 1
983 1 60 GLN H 1 60 GLN QB 2.760 . 2.760 2.424 2.333 2.546 . 0 0 "[ . 1 . 2 . 3]" 1
984 1 60 GLN H 1 60 GLN HG2 3.480 . 3.480 3.347 2.562 3.517 0.037 19 0 "[ . 1 . 2 . 3]" 1
985 1 60 GLN H 1 60 GLN QG 2.970 . 2.970 2.377 2.215 2.514 . 0 0 "[ . 1 . 2 . 3]" 1
986 1 60 GLN H 1 60 GLN HG3 3.480 . 3.480 2.461 2.248 2.904 . 0 0 "[ . 1 . 2 . 3]" 1
987 1 60 GLN HA 1 60 GLN QG 3.710 . 3.710 2.335 2.162 2.502 . 0 0 "[ . 1 . 2 . 3]" 1
988 1 61 GLN H 1 61 GLN QB 2.580 . 2.580 2.467 2.249 2.620 0.040 15 0 "[ . 1 . 2 . 3]" 1
989 1 61 GLN H 1 61 GLN HG2 3.620 . 3.620 2.645 1.998 3.331 . 0 0 "[ . 1 . 2 . 3]" 1
990 1 61 GLN H 1 61 GLN QG 2.990 . 2.990 2.368 1.988 2.936 . 0 0 "[ . 1 . 2 . 3]" 1
991 1 61 GLN H 1 61 GLN HG3 3.620 . 3.620 3.160 2.140 3.738 0.118 26 0 "[ . 1 . 2 . 3]" 1
992 1 61 GLN H 1 62 GLN H 2.860 . 2.860 2.741 2.587 2.856 . 0 0 "[ . 1 . 2 . 3]" 1
993 1 61 GLN H 1 63 ALA MB 5.360 . 5.360 4.726 4.512 4.894 . 0 0 "[ . 1 . 2 . 3]" 1
994 1 61 GLN HA 1 65 LEU HG 4.700 . 4.700 4.180 3.923 4.624 . 0 0 "[ . 1 . 2 . 3]" 1
995 1 61 GLN QB 1 62 GLN H 3.350 . 3.350 2.598 2.335 3.547 0.197 20 0 "[ . 1 . 2 . 3]" 1
996 1 61 GLN QB 1 65 LEU H 5.420 . 5.420 4.798 4.468 5.173 . 0 0 "[ . 1 . 2 . 3]" 1
997 1 61 GLN QB 1 65 LEU MD1 3.760 . 3.760 2.977 2.495 3.704 . 0 0 "[ . 1 . 2 . 3]" 1
998 1 62 GLN H 1 62 GLN QB 2.690 . 2.690 2.512 2.358 2.627 . 0 0 "[ . 1 . 2 . 3]" 1
999 1 62 GLN H 1 62 GLN HG2 3.350 . 3.350 2.614 2.108 3.386 0.036 20 0 "[ . 1 . 2 . 3]" 1
1000 1 62 GLN H 1 62 GLN HG3 3.350 . 3.350 3.026 2.265 3.440 0.090 25 0 "[ . 1 . 2 . 3]" 1
1001 1 62 GLN H 1 63 ALA H 3.380 . 3.380 2.628 2.492 2.800 . 0 0 "[ . 1 . 2 . 3]" 1
1002 1 62 GLN H 1 63 ALA MB 5.200 . 5.200 4.303 4.172 4.432 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 62 GLN H 1 64 ALA H 4.310 . 4.310 4.157 4.017 4.302 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 62 GLN H 1 65 LEU H 4.800 . 4.800 4.746 4.589 4.861 0.061 17 0 "[ . 1 . 2 . 3]" 1
1005 1 62 GLN HA 1 63 ALA H 3.560 . 3.560 3.518 3.437 3.563 0.003 14 0 "[ . 1 . 2 . 3]" 1
1006 1 62 GLN HA 1 65 LEU H 3.530 . 3.530 3.066 2.854 3.339 . 0 0 "[ . 1 . 2 . 3]" 1
1007 1 62 GLN HA 1 65 LEU HB2 4.420 . 4.420 2.338 2.093 2.639 . 0 0 "[ . 1 . 2 . 3]" 1
1008 1 62 GLN HA 1 65 LEU HB3 4.340 . 4.340 3.997 3.690 4.281 . 0 0 "[ . 1 . 2 . 3]" 1
1009 1 62 GLN HA 1 65 LEU MD1 3.810 . 3.810 2.540 2.109 3.094 . 0 0 "[ . 1 . 2 . 3]" 1
1010 1 62 GLN HA 1 65 LEU HG 4.910 . 4.910 3.751 3.388 4.336 . 0 0 "[ . 1 . 2 . 3]" 1
1011 1 62 GLN QB 1 63 ALA H 3.670 . 3.670 3.370 2.581 3.708 0.038 6 0 "[ . 1 . 2 . 3]" 1
1012 1 62 GLN QB 1 65 LEU H 5.500 . 5.500 4.612 4.455 4.913 . 0 0 "[ . 1 . 2 . 3]" 1
1013 1 62 GLN QG 1 63 ALA H 4.050 . 4.050 2.955 2.147 4.134 0.084 21 0 "[ . 1 . 2 . 3]" 1
1014 1 62 GLN HG2 1 63 ALA H 4.730 . 4.730 3.687 2.802 4.863 0.133 21 0 "[ . 1 . 2 . 3]" 1
1015 1 62 GLN HG3 1 63 ALA H 4.730 . 4.730 3.177 2.158 4.761 0.031 14 0 "[ . 1 . 2 . 3]" 1
1016 1 63 ALA H 1 63 ALA HA 2.920 . 2.920 2.863 2.820 2.903 . 0 0 "[ . 1 . 2 . 3]" 1
1017 1 63 ALA H 1 63 ALA MB 2.540 . 2.540 2.232 2.173 2.260 . 0 0 "[ . 1 . 2 . 3]" 1
1018 1 63 ALA H 1 64 ALA H 3.210 . 3.210 2.617 2.436 2.796 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 63 ALA H 1 65 LEU H 4.050 . 4.050 4.014 3.891 4.240 0.190 26 0 "[ . 1 . 2 . 3]" 1
1020 1 64 ALA H 1 64 ALA MB 2.770 . 2.770 2.258 2.199 2.293 . 0 0 "[ . 1 . 2 . 3]" 1
1021 1 64 ALA H 1 65 LEU H 2.740 . 2.740 2.400 2.181 2.547 . 0 0 "[ . 1 . 2 . 3]" 1
1022 1 64 ALA H 1 65 LEU HG 4.430 . 4.430 4.392 4.202 4.520 0.090 30 0 "[ . 1 . 2 . 3]" 1
1023 1 64 ALA MB 1 65 LEU H 2.940 . 2.940 2.744 2.528 2.964 0.024 1 0 "[ . 1 . 2 . 3]" 1
1024 1 65 LEU H 1 65 LEU HA 2.910 . 2.910 2.904 2.833 2.942 0.032 4 0 "[ . 1 . 2 . 3]" 1
1025 1 65 LEU H 1 65 LEU HB2 3.150 . 3.150 2.332 2.151 2.419 . 0 0 "[ . 1 . 2 . 3]" 1
1026 1 65 LEU H 1 65 LEU HB3 3.600 . 3.600 3.576 3.463 3.634 0.034 20 0 "[ . 1 . 2 . 3]" 1
1027 1 65 LEU H 1 65 LEU MD1 3.840 . 3.840 3.579 3.437 3.678 . 0 0 "[ . 1 . 2 . 3]" 1
1028 1 65 LEU H 1 65 LEU MD2 4.360 . 4.360 3.831 3.628 3.977 . 0 0 "[ . 1 . 2 . 3]" 1
1029 1 65 LEU H 1 65 LEU HG 2.860 . 2.860 2.685 2.400 2.873 0.013 24 0 "[ . 1 . 2 . 3]" 1
1030 1 65 LEU H 1 66 GLN H 2.890 . 2.890 2.476 2.332 2.613 . 0 0 "[ . 1 . 2 . 3]" 1
1031 1 65 LEU H 1 66 GLN QB 4.760 . 4.760 4.852 4.544 5.047 0.287 27 0 "[ . 1 . 2 . 3]" 1
1032 1 65 LEU H 1 66 GLN QG 4.570 . 4.570 4.047 3.567 4.595 0.025 28 0 "[ . 1 . 2 . 3]" 1
1033 1 65 LEU H 1 67 LYS H 4.930 . 4.930 4.739 4.435 4.991 0.061 10 0 "[ . 1 . 2 . 3]" 1
1034 1 65 LEU HA 1 65 LEU MD1 4.110 . 4.110 3.901 3.872 4.010 . 0 0 "[ . 1 . 2 . 3]" 1
1035 1 65 LEU HA 1 65 LEU MD2 3.040 . 3.040 2.160 2.087 2.338 . 0 0 "[ . 1 . 2 . 3]" 1
1036 1 65 LEU HA 1 65 LEU HG 3.920 . 3.920 2.920 2.813 3.014 . 0 0 "[ . 1 . 2 . 3]" 1
1037 1 65 LEU HB2 1 65 LEU MD1 3.360 . 3.360 2.256 2.197 2.361 . 0 0 "[ . 1 . 2 . 3]" 1
1038 1 65 LEU HB2 1 65 LEU MD2 3.400 . 3.400 3.221 3.163 3.288 . 0 0 "[ . 1 . 2 . 3]" 1
1039 1 65 LEU HB2 1 65 LEU HG 2.780 . 2.780 2.551 2.505 2.611 . 0 0 "[ . 1 . 2 . 3]" 1
1040 1 65 LEU HB2 1 66 GLN H 3.680 . 3.680 2.648 2.488 2.962 . 0 0 "[ . 1 . 2 . 3]" 1
1041 1 65 LEU HB3 1 65 LEU MD1 3.320 . 3.320 2.459 2.375 2.527 . 0 0 "[ . 1 . 2 . 3]" 1
1042 1 65 LEU HB3 1 65 LEU MD2 3.260 . 3.260 2.325 2.238 2.413 . 0 0 "[ . 1 . 2 . 3]" 1
1043 1 65 LEU HB3 1 66 GLN H 3.700 . 3.700 3.512 3.328 3.743 0.043 26 0 "[ . 1 . 2 . 3]" 1
1044 1 65 LEU MD1 1 66 GLN H 4.760 . 4.760 4.476 4.320 4.774 0.014 26 0 "[ . 1 . 2 . 3]" 1
1045 1 65 LEU MD2 1 66 GLN H 5.500 . 5.500 4.783 4.712 4.860 . 0 0 "[ . 1 . 2 . 3]" 1
1046 1 66 GLN H 1 66 GLN HA 2.930 . 2.930 2.309 2.248 2.966 0.036 26 0 "[ . 1 . 2 . 3]" 1
1047 1 66 GLN H 1 66 GLN QB 3.190 . 3.190 3.091 2.480 3.299 0.109 17 0 "[ . 1 . 2 . 3]" 1
1048 1 66 GLN H 1 66 GLN QG 3.320 . 3.320 2.749 2.424 3.259 . 0 0 "[ . 1 . 2 . 3]" 1
1049 1 66 GLN H 1 67 LYS H 3.120 . 3.120 2.947 2.782 3.165 0.045 9 0 "[ . 1 . 2 . 3]" 1
1050 1 66 GLN HA 1 67 LYS H 3.220 . 3.220 2.810 2.546 3.022 . 0 0 "[ . 1 . 2 . 3]" 1
1051 1 66 GLN HA 1 67 LYS QB 5.040 . 5.040 4.702 3.908 5.055 0.015 1 0 "[ . 1 . 2 . 3]" 1
1052 1 66 GLN QG 1 67 LYS H 5.500 . 5.500 4.479 4.084 4.833 . 0 0 "[ . 1 . 2 . 3]" 1
1053 1 67 LYS H 1 67 LYS HB2 3.680 . 3.680 2.651 2.091 3.684 0.004 1 0 "[ . 1 . 2 . 3]" 1
1054 1 67 LYS H 1 67 LYS QB 3.210 . 3.210 2.451 2.068 2.856 . 0 0 "[ . 1 . 2 . 3]" 1
1055 1 67 LYS H 1 67 LYS HB3 3.680 . 3.680 3.246 2.687 3.713 0.033 21 0 "[ . 1 . 2 . 3]" 1
1056 1 67 LYS H 1 67 LYS QG 4.260 . 4.260 3.485 1.958 4.293 0.033 18 0 "[ . 1 . 2 . 3]" 1
1057 1 67 LYS H 1 68 GLN H 3.790 . 3.790 2.857 1.992 4.005 0.215 17 0 "[ . 1 . 2 . 3]" 1
1058 1 67 LYS H 1 68 GLN QG 5.500 . 5.500 4.097 3.153 5.545 0.045 16 0 "[ . 1 . 2 . 3]" 1
1059 1 67 LYS HA 1 68 GLN H 3.180 . 3.180 2.911 2.057 3.263 0.083 25 0 "[ . 1 . 2 . 3]" 1
1060 1 67 LYS HB2 1 68 GLN H 4.680 . 4.680 4.330 3.899 4.668 . 0 0 "[ . 1 . 2 . 3]" 1
1061 1 67 LYS HB3 1 68 GLN H 4.680 . 4.680 4.257 3.959 4.635 . 0 0 "[ . 1 . 2 . 3]" 1
1062 1 68 GLN H 1 68 GLN HB2 4.080 . 4.080 3.017 2.301 3.943 . 0 0 "[ . 1 . 2 . 3]" 1
1063 1 68 GLN H 1 68 GLN QB 3.350 . 3.350 2.699 2.274 3.404 0.054 6 0 "[ . 1 . 2 . 3]" 1
1064 1 68 GLN H 1 68 GLN HB3 4.080 . 4.080 3.489 2.627 4.090 0.010 6 0 "[ . 1 . 2 . 3]" 1
1065 1 68 GLN H 1 68 GLN QG 4.240 . 4.240 2.684 1.812 4.138 . 0 0 "[ . 1 . 2 . 3]" 1
1066 1 68 GLN H 1 69 GLN H 4.020 . 4.020 3.529 2.699 4.103 0.083 1 0 "[ . 1 . 2 . 3]" 1
1067 1 68 GLN HA 1 69 GLN H 3.030 . 3.030 2.436 2.131 2.866 . 0 0 "[ . 1 . 2 . 3]" 1
1068 1 69 GLN H 1 69 GLN QB 3.600 . 3.600 2.727 2.200 3.403 . 0 0 "[ . 1 . 2 . 3]" 1
1069 1 69 GLN H 1 69 GLN QG 4.710 . 4.710 3.220 2.105 4.206 . 0 0 "[ . 1 . 2 . 3]" 1
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