Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
441407 | 2kat RC | 16030 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kat
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 1421
_Distance_constraint_stats_list.Viol_count 1753
_Distance_constraint_stats_list.Viol_total 2240.753
_Distance_constraint_stats_list.Viol_max 0.711
_Distance_constraint_stats_list.Viol_rms 0.0216
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0039
_Distance_constraint_stats_list.Viol_average_violations_only 0.0639
_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 1 MET 0.061 0.040 20 0 "[ . 1 . 2]"
1 2 GLN 3.959 0.265 3 0 "[ . 1 . 2]"
1 3 ALA 4.294 0.247 6 0 "[ . 1 . 2]"
1 4 ILE 3.007 0.180 15 0 "[ . 1 . 2]"
1 5 THR 0.153 0.061 10 0 "[ . 1 . 2]"
1 6 GLU 0.784 0.060 20 0 "[ . 1 . 2]"
1 7 ARG 0.146 0.064 3 0 "[ . 1 . 2]"
1 8 LEU 0.536 0.084 9 0 "[ . 1 . 2]"
1 9 GLU 0.737 0.156 17 0 "[ . 1 . 2]"
1 10 ALA 0.145 0.064 3 0 "[ . 1 . 2]"
1 11 MET 2.109 0.127 1 0 "[ . 1 . 2]"
1 12 LEU 0.170 0.076 9 0 "[ . 1 . 2]"
1 13 ALA 0.093 0.076 9 0 "[ . 1 . 2]"
1 14 GLN 0.822 0.148 8 0 "[ . 1 . 2]"
1 15 GLY 0.041 0.027 17 0 "[ . 1 . 2]"
1 16 THR 1.355 0.190 2 0 "[ . 1 . 2]"
1 17 ASP 1.162 0.195 7 0 "[ . 1 . 2]"
1 18 ASN 2.369 0.327 13 0 "[ . 1 . 2]"
1 19 MET 2.023 0.327 13 0 "[ . 1 . 2]"
1 20 LEU 0.318 0.094 12 0 "[ . 1 . 2]"
1 21 LEU 0.127 0.094 12 0 "[ . 1 . 2]"
1 22 ARG 0.032 0.016 4 0 "[ . 1 . 2]"
1 23 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LEU 0.144 0.061 10 0 "[ . 1 . 2]"
1 26 GLY 0.025 0.017 5 0 "[ . 1 . 2]"
1 27 LYS 1.551 0.081 18 0 "[ . 1 . 2]"
1 28 THR 1.433 0.096 19 0 "[ . 1 . 2]"
1 29 TYR 0.009 0.009 13 0 "[ . 1 . 2]"
1 30 ALA 1.684 0.096 19 0 "[ . 1 . 2]"
1 31 GLU 0.997 0.346 14 0 "[ . 1 . 2]"
1 32 HIS 1.160 0.089 13 0 "[ . 1 . 2]"
1 33 GLU 0.348 0.097 18 0 "[ . 1 . 2]"
1 34 GLN 0.396 0.044 19 0 "[ . 1 . 2]"
1 35 PHE 1.001 0.086 16 0 "[ . 1 . 2]"
1 36 ASP 2.139 0.141 14 0 "[ . 1 . 2]"
1 37 ALA 4.181 0.141 14 0 "[ . 1 . 2]"
1 38 ALA 0.009 0.009 13 0 "[ . 1 . 2]"
1 39 LEU 2.517 0.134 15 0 "[ . 1 . 2]"
1 40 PRO 0.234 0.165 2 0 "[ . 1 . 2]"
1 41 HIS 0.165 0.165 2 0 "[ . 1 . 2]"
1 42 LEU 0.025 0.017 5 0 "[ . 1 . 2]"
1 43 ARG 0.845 0.183 11 0 "[ . 1 . 2]"
1 44 ALA 0.063 0.035 15 0 "[ . 1 . 2]"
1 45 ALA 0.035 0.019 20 0 "[ . 1 . 2]"
1 46 LEU 0.477 0.082 20 0 "[ . 1 . 2]"
1 47 ASP 1.467 0.132 8 0 "[ . 1 . 2]"
1 48 PHE 1.817 0.132 8 0 "[ . 1 . 2]"
1 49 ASP 0.144 0.106 1 0 "[ . 1 . 2]"
1 50 PRO 0.041 0.041 16 0 "[ . 1 . 2]"
1 51 THR 0.174 0.043 7 0 "[ . 1 . 2]"
1 52 TYR 0.655 0.167 19 0 "[ . 1 . 2]"
1 53 SER 2.340 0.169 1 0 "[ . 1 . 2]"
1 54 VAL 0.349 0.086 10 0 "[ . 1 . 2]"
1 55 ALA 0.476 0.065 8 0 "[ . 1 . 2]"
1 56 TRP 2.850 0.169 1 0 "[ . 1 . 2]"
1 57 LYS 2.970 0.564 8 1 "[ . + 1 . 2]"
1 58 TRP 1.806 0.111 8 0 "[ . 1 . 2]"
1 59 LEU 0.647 0.100 1 0 "[ . 1 . 2]"
1 60 GLY 0.498 0.100 1 0 "[ . 1 . 2]"
1 61 LYS 1.732 0.210 15 0 "[ . 1 . 2]"
1 62 THR 0.612 0.241 14 0 "[ . 1 . 2]"
1 63 LEU 1.263 0.191 17 0 "[ . 1 . 2]"
1 64 GLN 0.723 0.084 1 0 "[ . 1 . 2]"
1 65 GLY 0.440 0.084 1 0 "[ . 1 . 2]"
1 66 GLN 0.161 0.055 11 0 "[ . 1 . 2]"
1 67 GLY 0.033 0.022 6 0 "[ . 1 . 2]"
1 68 ASP 1.698 0.165 14 0 "[ . 1 . 2]"
1 69 ARG 1.564 0.165 14 0 "[ . 1 . 2]"
1 70 ALA 0.833 0.095 8 0 "[ . 1 . 2]"
1 71 GLY 0.437 0.079 17 0 "[ . 1 . 2]"
1 72 ALA 0.416 0.076 20 0 "[ . 1 . 2]"
1 73 ARG 0.538 0.079 17 0 "[ . 1 . 2]"
1 74 GLN 0.907 0.095 8 0 "[ . 1 . 2]"
1 75 ALA 0.183 0.061 14 0 "[ . 1 . 2]"
1 76 TRP 1.768 0.082 7 0 "[ . 1 . 2]"
1 77 GLU 0.621 0.082 7 0 "[ . 1 . 2]"
1 78 SER 1.092 0.082 7 0 "[ . 1 . 2]"
1 79 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LEU 3.732 0.202 5 0 "[ . 1 . 2]"
1 81 ALA 5.305 0.202 5 0 "[ . 1 . 2]"
1 82 ALA 1.175 0.068 20 0 "[ . 1 . 2]"
1 83 ALA 0.043 0.028 17 0 "[ . 1 . 2]"
1 84 GLN 3.142 0.108 8 0 "[ . 1 . 2]"
1 85 SER 3.695 0.176 2 0 "[ . 1 . 2]"
1 86 ARG 7.147 0.711 8 1 "[ . + 1 . 2]"
1 87 GLY 1.609 0.133 7 0 "[ . 1 . 2]"
1 88 ASP 4.911 0.258 2 0 "[ . 1 . 2]"
1 89 GLN 9.520 0.258 2 0 "[ . 1 . 2]"
1 90 GLN 2.182 0.186 7 0 "[ . 1 . 2]"
1 91 VAL 2.599 0.151 20 0 "[ . 1 . 2]"
1 92 VAL 0.134 0.036 10 0 "[ . 1 . 2]"
1 93 LYS 0.822 0.080 8 0 "[ . 1 . 2]"
1 94 GLU 4.886 0.190 11 0 "[ . 1 . 2]"
1 95 LEU 2.883 0.155 4 0 "[ . 1 . 2]"
1 96 GLN 0.002 0.002 10 0 "[ . 1 . 2]"
1 97 VAL 0.291 0.074 2 0 "[ . 1 . 2]"
1 98 PHE 0.928 0.093 14 0 "[ . 1 . 2]"
1 99 LEU 0.060 0.023 6 0 "[ . 1 . 2]"
1 100 ARG 8.067 0.419 11 0 "[ . 1 . 2]"
1 101 ARG 4.934 0.419 11 0 "[ . 1 . 2]"
1 102 LEU 2.002 0.147 16 0 "[ . 1 . 2]"
1 103 ALA 0.703 0.089 9 0 "[ . 1 . 2]"
1 104 ARG 0.129 0.054 8 0 "[ . 1 . 2]"
1 105 GLU 4.579 0.201 1 0 "[ . 1 . 2]"
1 106 ASP 5.465 0.277 12 0 "[ . 1 . 2]"
1 107 ALA 3.075 0.193 19 0 "[ . 1 . 2]"
1 108 LEU 4.358 0.133 13 0 "[ . 1 . 2]"
1 109 GLU 6.124 0.376 10 0 "[ . 1 . 2]"
1 110 HIS 5.687 0.376 10 0 "[ . 1 . 2]"
1 111 HIS 1.943 0.189 8 0 "[ . 1 . 2]"
1 112 HIS 0.683 0.272 15 0 "[ . 1 . 2]"
1 113 HIS 0.556 0.272 15 0 "[ . 1 . 2]"
1 114 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 2 GLN H 2.220 . 2.650 2.279 2.118 2.690 0.040 20 0 "[ . 1 . 2]" 1
2 1 1 MET QG 1 2 GLN H 3.820 . 5.840 3.897 2.983 4.532 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLN H 1 2 GLN HB2 2.580 . 3.370 2.847 2.114 3.623 0.253 8 0 "[ . 1 . 2]" 1
4 1 2 GLN H 1 2 GLN QB 2.460 . 3.130 2.479 2.094 2.983 . 0 0 "[ . 1 . 2]" 1
5 1 2 GLN H 1 2 GLN HB3 2.580 . 3.370 3.039 2.417 3.635 0.265 3 0 "[ . 1 . 2]" 1
6 1 2 GLN H 1 2 GLN QG 3.400 . 5.010 3.406 1.855 4.296 . 0 0 "[ . 1 . 2]" 1
7 1 2 GLN HA 1 3 ALA H 2.190 . 2.580 2.361 2.188 2.622 0.042 14 0 "[ . 1 . 2]" 1
8 1 2 GLN QB 1 3 ALA H 2.680 . 3.570 2.878 1.930 3.488 . 0 0 "[ . 1 . 2]" 1
9 1 2 GLN QB 1 3 ALA MB 4.090 . 6.390 4.034 3.228 4.877 . 0 0 "[ . 1 . 2]" 1
10 1 2 GLN HB2 1 2 GLN HE21 3.560 . 5.320 3.638 2.338 4.562 . 0 0 "[ . 1 . 2]" 1
11 1 2 GLN HB2 1 2 GLN HE22 3.560 . 5.320 4.363 3.557 5.351 0.031 7 0 "[ . 1 . 2]" 1
12 1 2 GLN HB2 1 3 ALA H 2.800 . 3.800 3.616 2.284 4.047 0.247 6 0 "[ . 1 . 2]" 1
13 1 2 GLN HB3 1 2 GLN HE21 3.560 . 5.320 3.760 1.783 4.520 0.017 2 0 "[ . 1 . 2]" 1
14 1 2 GLN HB3 1 2 GLN HE22 3.560 . 5.320 4.581 3.427 5.345 0.025 16 0 "[ . 1 . 2]" 1
15 1 2 GLN HB3 1 3 ALA H 2.800 . 3.800 3.229 1.943 3.944 0.144 20 0 "[ . 1 . 2]" 1
16 1 2 GLN QG 1 3 ALA H 3.470 . 5.150 2.973 1.736 4.608 0.054 5 0 "[ . 1 . 2]" 1
17 1 3 ALA H 1 4 ILE H 3.030 . 4.270 4.068 2.914 4.413 0.143 20 0 "[ . 1 . 2]" 1
18 1 3 ALA HA 1 4 ILE H 2.300 . 2.800 2.223 2.088 2.456 . 0 0 "[ . 1 . 2]" 1
19 1 3 ALA HA 1 4 ILE HB 3.180 . 4.560 4.629 4.565 4.740 0.180 15 0 "[ . 1 . 2]" 1
20 1 3 ALA HA 1 4 ILE QG 3.830 . 5.870 3.721 3.348 4.292 . 0 0 "[ . 1 . 2]" 1
21 1 3 ALA HA 1 4 ILE MG 4.410 . 7.020 5.475 5.419 5.561 . 0 0 "[ . 1 . 2]" 1
22 1 3 ALA HA 1 5 THR H 3.290 . 4.780 3.701 3.106 4.378 . 0 0 "[ . 1 . 2]" 1
23 1 3 ALA MB 1 4 ILE HA 4.330 . 6.870 4.467 4.260 4.680 . 0 0 "[ . 1 . 2]" 1
24 1 3 ALA MB 1 4 ILE MG 4.920 . 8.040 5.253 4.683 5.599 . 0 0 "[ . 1 . 2]" 1
25 1 3 ALA MB 1 5 THR H 3.520 . 5.250 3.022 2.246 4.039 . 0 0 "[ . 1 . 2]" 1
26 1 3 ALA MB 1 5 THR MG 4.920 . 8.040 3.940 2.207 4.832 . 0 0 "[ . 1 . 2]" 1
27 1 3 ALA MB 1 6 GLU H 3.690 . 5.580 2.963 2.525 4.027 . 0 0 "[ . 1 . 2]" 1
28 1 3 ALA MB 1 6 GLU HA 4.410 . 7.020 4.849 4.063 5.989 . 0 0 "[ . 1 . 2]" 1
29 1 3 ALA MB 1 6 GLU QB 4.230 . 6.670 3.341 2.015 4.498 . 0 0 "[ . 1 . 2]" 1
30 1 3 ALA MB 1 6 GLU QG 4.290 . 6.780 2.704 1.755 5.506 0.045 9 0 "[ . 1 . 2]" 1
31 1 3 ALA MB 1 28 THR MG 4.920 . 8.040 4.388 2.413 6.728 . 0 0 "[ . 1 . 2]" 1
32 1 4 ILE H 1 4 ILE HB 2.370 . 2.940 2.505 2.346 2.611 . 0 0 "[ . 1 . 2]" 1
33 1 4 ILE H 1 4 ILE MD 3.540 . 5.290 3.339 2.820 3.612 . 0 0 "[ . 1 . 2]" 1
34 1 4 ILE H 1 4 ILE HG12 2.820 . 3.840 2.761 1.826 3.508 . 0 0 "[ . 1 . 2]" 1
35 1 4 ILE H 1 4 ILE QG 2.690 . 3.590 2.050 1.819 2.241 . 0 0 "[ . 1 . 2]" 1
36 1 4 ILE H 1 4 ILE HG13 2.820 . 3.840 2.736 1.961 3.662 . 0 0 "[ . 1 . 2]" 1
37 1 4 ILE H 1 4 ILE MG 3.310 . 4.820 3.748 3.721 3.768 . 0 0 "[ . 1 . 2]" 1
38 1 4 ILE H 1 5 THR H 2.690 . 3.590 2.625 2.465 2.828 . 0 0 "[ . 1 . 2]" 1
39 1 4 ILE H 1 5 THR MG 4.410 . 7.020 4.606 3.726 5.895 . 0 0 "[ . 1 . 2]" 1
40 1 4 ILE HA 1 4 ILE HB 2.400 . 3.010 3.018 3.005 3.027 0.017 12 0 "[ . 1 . 2]" 1
41 1 4 ILE HA 1 4 ILE HG12 2.730 . 3.660 2.786 2.448 3.169 . 0 0 "[ . 1 . 2]" 1
42 1 4 ILE HA 1 4 ILE HG13 2.730 . 3.660 3.330 2.925 3.734 0.074 19 0 "[ . 1 . 2]" 1
43 1 4 ILE HA 1 7 ARG H 2.890 . 3.980 3.710 3.534 3.977 . 0 0 "[ . 1 . 2]" 1
44 1 4 ILE HA 1 7 ARG QB 3.380 . 4.970 4.283 4.052 4.721 . 0 0 "[ . 1 . 2]" 1
45 1 4 ILE HA 1 8 LEU H 3.090 . 4.380 4.335 4.171 4.459 0.079 8 0 "[ . 1 . 2]" 1
46 1 4 ILE HB 1 5 THR H 2.690 . 3.590 2.888 2.593 3.341 . 0 0 "[ . 1 . 2]" 1
47 1 4 ILE HB 1 5 THR MG 3.880 . 5.970 4.191 3.413 5.579 . 0 0 "[ . 1 . 2]" 1
48 1 4 ILE HB 1 28 THR MG 3.430 . 5.070 3.357 2.294 4.068 . 0 0 "[ . 1 . 2]" 1
49 1 4 ILE MD 1 5 THR H 4.410 . 7.020 4.692 4.542 4.986 . 0 0 "[ . 1 . 2]" 1
50 1 4 ILE MD 1 8 LEU HG 3.780 . 5.760 5.005 4.061 5.705 . 0 0 "[ . 1 . 2]" 1
51 1 4 ILE QG 1 5 THR H 4.340 . 6.880 4.067 3.927 4.234 . 0 0 "[ . 1 . 2]" 1
52 1 4 ILE MG 1 5 THR H 3.180 . 4.570 3.659 3.430 4.014 . 0 0 "[ . 1 . 2]" 1
53 1 4 ILE MG 1 5 THR HA 4.170 . 6.550 3.587 3.214 3.927 . 0 0 "[ . 1 . 2]" 1
54 1 4 ILE MG 1 5 THR MG 4.430 . 7.070 4.362 3.666 5.156 . 0 0 "[ . 1 . 2]" 1
55 1 4 ILE MG 1 6 GLU H 4.410 . 7.020 4.997 4.723 5.290 . 0 0 "[ . 1 . 2]" 1
56 1 4 ILE MG 1 7 ARG H 3.720 . 5.650 4.601 4.020 4.894 . 0 0 "[ . 1 . 2]" 1
57 1 4 ILE MG 1 8 LEU H 4.410 . 7.020 3.834 3.197 4.107 . 0 0 "[ . 1 . 2]" 1
58 1 4 ILE MG 1 8 LEU HG 3.830 . 5.870 2.291 1.779 2.889 0.011 19 0 "[ . 1 . 2]" 1
59 1 4 ILE MG 1 28 THR HB 4.330 . 6.870 5.389 4.407 6.366 . 0 0 "[ . 1 . 2]" 1
60 1 5 THR H 1 5 THR MG 3.110 . 4.430 2.703 2.045 3.757 . 0 0 "[ . 1 . 2]" 1
61 1 5 THR H 1 6 GLU H 2.640 . 3.480 2.770 2.662 2.885 . 0 0 "[ . 1 . 2]" 1
62 1 5 THR H 1 28 THR MG 4.050 . 6.300 3.405 2.311 5.402 . 0 0 "[ . 1 . 2]" 1
63 1 5 THR HA 1 8 LEU H 2.960 . 4.130 3.620 3.325 3.898 . 0 0 "[ . 1 . 2]" 1
64 1 5 THR HA 1 8 LEU QB 3.260 . 4.720 2.645 2.166 3.174 . 0 0 "[ . 1 . 2]" 1
65 1 5 THR HA 1 8 LEU MD1 4.140 . 6.480 2.830 2.027 5.373 . 0 0 "[ . 1 . 2]" 1
66 1 5 THR HA 1 25 LEU MD1 3.720 . 5.650 4.509 3.399 5.711 0.061 10 0 "[ . 1 . 2]" 1
67 1 5 THR HA 1 25 LEU MD2 3.650 . 5.510 2.841 2.027 4.501 . 0 0 "[ . 1 . 2]" 1
68 1 5 THR HB 1 6 GLU H 3.050 . 4.310 3.341 2.387 4.185 . 0 0 "[ . 1 . 2]" 1
69 1 5 THR HB 1 25 LEU MD1 4.120 . 6.440 5.537 4.547 6.473 0.033 20 0 "[ . 1 . 2]" 1
70 1 5 THR HB 1 25 LEU MD2 4.100 . 6.410 3.808 2.724 5.109 . 0 0 "[ . 1 . 2]" 1
71 1 5 THR MG 1 6 GLU H 4.410 . 7.020 3.733 2.252 4.237 . 0 0 "[ . 1 . 2]" 1
72 1 5 THR MG 1 6 GLU QG 4.850 . 7.900 4.614 3.509 5.146 . 0 0 "[ . 1 . 2]" 1
73 1 5 THR MG 1 25 LEU MD1 4.340 . 6.890 4.344 3.111 5.488 . 0 0 "[ . 1 . 2]" 1
74 1 5 THR MG 1 25 LEU MD2 4.210 . 6.630 2.858 1.978 4.762 . 0 0 "[ . 1 . 2]" 1
75 1 5 THR MG 1 25 LEU HG 4.150 . 6.510 4.464 2.099 6.524 0.014 14 0 "[ . 1 . 2]" 1
76 1 5 THR MG 1 28 THR HB 3.310 . 4.820 3.123 1.889 4.833 0.013 20 0 "[ . 1 . 2]" 1
77 1 5 THR MG 1 28 THR MG 4.120 . 6.450 2.687 1.965 4.301 . 0 0 "[ . 1 . 2]" 1
78 1 5 THR MG 1 29 TYR H 4.410 . 7.020 4.497 3.272 6.493 . 0 0 "[ . 1 . 2]" 1
79 1 5 THR MG 1 29 TYR QD 5.470 . 9.150 3.776 3.229 5.519 . 0 0 "[ . 1 . 2]" 1
80 1 5 THR MG 1 29 TYR QE 4.430 . 7.060 3.033 2.465 4.252 . 0 0 "[ . 1 . 2]" 1
81 1 6 GLU H 1 6 GLU HB2 2.670 . 3.550 2.619 2.337 3.606 0.056 19 0 "[ . 1 . 2]" 1
82 1 6 GLU H 1 6 GLU HB3 2.670 . 3.550 3.371 2.374 3.610 0.060 20 0 "[ . 1 . 2]" 1
83 1 6 GLU H 1 6 GLU QG 3.260 . 4.720 2.435 1.913 3.967 . 0 0 "[ . 1 . 2]" 1
84 1 6 GLU H 1 7 ARG H 2.550 . 3.300 2.713 2.569 2.855 . 0 0 "[ . 1 . 2]" 1
85 1 6 GLU H 1 7 ARG QG 3.310 . 4.830 4.003 3.706 4.222 . 0 0 "[ . 1 . 2]" 1
86 1 6 GLU HA 1 9 GLU H 3.450 . 5.100 3.593 3.226 4.014 . 0 0 "[ . 1 . 2]" 1
87 1 6 GLU QB 1 7 ARG H 2.840 . 3.880 2.642 2.366 3.436 . 0 0 "[ . 1 . 2]" 1
88 1 6 GLU HB2 1 7 ARG H 3.070 . 4.340 2.872 2.401 4.029 . 0 0 "[ . 1 . 2]" 1
89 1 6 GLU HB3 1 7 ARG H 3.070 . 4.340 3.546 2.447 4.045 . 0 0 "[ . 1 . 2]" 1
90 1 6 GLU QG 1 7 ARG H 4.030 . 6.270 3.819 2.182 4.273 . 0 0 "[ . 1 . 2]" 1
91 1 7 ARG H 1 7 ARG HG2 3.200 . 4.600 2.389 1.879 3.379 . 0 0 "[ . 1 . 2]" 1
92 1 7 ARG H 1 7 ARG QG 2.890 . 3.980 2.082 1.865 2.295 . 0 0 "[ . 1 . 2]" 1
93 1 7 ARG H 1 7 ARG HG3 3.200 . 4.600 2.931 2.084 3.396 . 0 0 "[ . 1 . 2]" 1
94 1 7 ARG H 1 8 LEU H 2.490 . 3.190 2.534 2.490 2.633 . 0 0 "[ . 1 . 2]" 1
95 1 7 ARG H 1 8 LEU QB 3.380 . 4.970 4.508 4.296 4.591 . 0 0 "[ . 1 . 2]" 1
96 1 7 ARG H 1 9 GLU H 3.360 . 4.920 4.178 4.019 4.500 . 0 0 "[ . 1 . 2]" 1
97 1 7 ARG HA 1 7 ARG QG 2.870 . 3.940 3.380 3.348 3.464 . 0 0 "[ . 1 . 2]" 1
98 1 7 ARG HA 1 9 GLU H 3.250 . 4.700 4.418 4.138 4.701 0.001 6 0 "[ . 1 . 2]" 1
99 1 7 ARG HA 1 10 ALA H 2.710 . 3.620 3.335 2.986 3.684 0.064 3 0 "[ . 1 . 2]" 1
100 1 7 ARG HA 1 10 ALA MB 3.240 . 4.680 2.630 2.318 3.469 . 0 0 "[ . 1 . 2]" 1
101 1 7 ARG QG 1 8 LEU H 2.850 . 3.900 2.318 2.014 2.430 . 0 0 "[ . 1 . 2]" 1
102 1 7 ARG HG2 1 8 LEU H 3.230 . 4.670 3.141 2.553 4.069 . 0 0 "[ . 1 . 2]" 1
103 1 7 ARG HG3 1 8 LEU H 3.230 . 4.670 2.454 2.035 2.742 . 0 0 "[ . 1 . 2]" 1
104 1 8 LEU H 1 8 LEU HB2 2.820 . 3.840 2.403 2.147 2.509 . 0 0 "[ . 1 . 2]" 1
105 1 8 LEU H 1 8 LEU QB 2.690 . 3.580 2.368 2.127 2.464 . 0 0 "[ . 1 . 2]" 1
106 1 8 LEU H 1 8 LEU HB3 2.820 . 3.840 3.582 3.459 3.611 . 0 0 "[ . 1 . 2]" 1
107 1 8 LEU H 1 8 LEU MD1 3.610 . 5.430 3.737 3.610 4.026 . 0 0 "[ . 1 . 2]" 1
108 1 8 LEU H 1 8 LEU MD2 3.290 . 4.790 3.292 2.335 3.668 . 0 0 "[ . 1 . 2]" 1
109 1 8 LEU H 1 8 LEU HG 2.840 . 3.880 2.600 2.285 3.964 0.084 9 0 "[ . 1 . 2]" 1
110 1 8 LEU H 1 9 GLU H 2.620 . 3.440 2.678 2.595 2.792 . 0 0 "[ . 1 . 2]" 1
111 1 8 LEU H 1 10 ALA H 3.140 . 4.490 4.010 3.847 4.243 . 0 0 "[ . 1 . 2]" 1
112 1 8 LEU H 1 25 LEU MD1 4.410 . 7.020 5.427 4.527 6.579 . 0 0 "[ . 1 . 2]" 1
113 1 8 LEU H 1 25 LEU MD2 4.190 . 6.590 4.282 3.560 5.545 . 0 0 "[ . 1 . 2]" 1
114 1 8 LEU HA 1 8 LEU MD1 4.190 . 6.590 3.649 2.009 3.872 . 0 0 "[ . 1 . 2]" 1
115 1 8 LEU HA 1 8 LEU MD2 3.000 . 4.210 1.980 1.863 2.319 . 0 0 "[ . 1 . 2]" 1
116 1 8 LEU HA 1 8 LEU HG 2.780 . 3.770 3.127 2.898 3.668 . 0 0 "[ . 1 . 2]" 1
117 1 8 LEU HA 1 11 MET H 2.940 . 4.090 3.415 2.928 3.695 . 0 0 "[ . 1 . 2]" 1
118 1 8 LEU HA 1 11 MET QB 3.380 . 4.970 3.363 2.113 4.119 . 0 0 "[ . 1 . 2]" 1
119 1 8 LEU HA 1 11 MET ME 3.600 . 5.400 3.687 1.785 4.887 0.015 5 0 "[ . 1 . 2]" 1
120 1 8 LEU HA 1 25 LEU MD1 4.150 . 6.510 4.887 3.993 6.126 . 0 0 "[ . 1 . 2]" 1
121 1 8 LEU HA 1 25 LEU MD2 4.250 . 6.700 4.521 3.964 5.545 . 0 0 "[ . 1 . 2]" 1
122 1 8 LEU QB 1 9 GLU H 3.060 . 4.330 2.525 2.353 2.757 . 0 0 "[ . 1 . 2]" 1
123 1 8 LEU HB2 1 9 GLU H 3.180 . 4.560 2.598 2.406 2.842 . 0 0 "[ . 1 . 2]" 1
124 1 8 LEU HB3 1 9 GLU H 3.180 . 4.560 3.476 3.190 3.719 . 0 0 "[ . 1 . 2]" 1
125 1 8 LEU MD1 1 11 MET ME 4.920 . 8.040 4.933 3.263 5.766 . 0 0 "[ . 1 . 2]" 1
126 1 8 LEU MD1 1 24 THR MG 4.120 . 6.450 2.569 2.137 4.677 . 0 0 "[ . 1 . 2]" 1
127 1 8 LEU MD1 1 25 LEU H 4.300 . 6.800 3.906 3.292 5.038 . 0 0 "[ . 1 . 2]" 1
128 1 8 LEU MD1 1 25 LEU HA 3.850 . 5.900 3.456 2.554 5.862 . 0 0 "[ . 1 . 2]" 1
129 1 8 LEU MD1 1 25 LEU QB 4.410 . 7.030 4.160 3.121 5.231 . 0 0 "[ . 1 . 2]" 1
130 1 8 LEU MD1 1 25 LEU MD1 4.660 . 7.530 3.263 1.931 4.369 . 0 0 "[ . 1 . 2]" 1
131 1 8 LEU MD1 1 25 LEU MD2 4.500 . 7.210 2.724 1.786 4.433 0.004 10 0 "[ . 1 . 2]" 1
132 1 8 LEU MD2 1 9 GLU H 4.410 . 7.020 4.595 4.221 4.678 . 0 0 "[ . 1 . 2]" 1
133 1 8 LEU MD2 1 11 MET HB2 4.410 . 7.020 4.465 2.783 6.086 . 0 0 "[ . 1 . 2]" 1
134 1 8 LEU MD2 1 11 MET HB3 4.410 . 7.020 4.730 3.439 5.392 . 0 0 "[ . 1 . 2]" 1
135 1 8 LEU MD2 1 11 MET ME 4.110 . 6.420 3.197 1.930 4.646 . 0 0 "[ . 1 . 2]" 1
136 1 8 LEU MD2 1 11 MET QG 4.810 . 7.830 3.651 2.906 4.798 . 0 0 "[ . 1 . 2]" 1
137 1 8 LEU MD2 1 25 LEU H 4.160 . 6.520 5.589 4.895 6.471 . 0 0 "[ . 1 . 2]" 1
138 1 8 LEU MD2 1 25 LEU MD1 4.480 . 7.170 4.251 2.810 5.109 . 0 0 "[ . 1 . 2]" 1
139 1 8 LEU MD2 1 25 LEU MD2 4.810 . 7.820 4.038 3.178 5.469 . 0 0 "[ . 1 . 2]" 1
140 1 8 LEU HG 1 9 GLU H 3.630 . 5.460 4.498 4.256 5.087 . 0 0 "[ . 1 . 2]" 1
141 1 8 LEU HG 1 25 LEU MD2 4.140 . 6.480 4.001 2.246 5.938 . 0 0 "[ . 1 . 2]" 1
142 1 9 GLU H 1 9 GLU HB2 2.730 . 3.660 2.569 2.259 3.634 . 0 0 "[ . 1 . 2]" 1
143 1 9 GLU H 1 9 GLU QB 2.640 . 3.480 2.384 2.161 2.608 . 0 0 "[ . 1 . 2]" 1
144 1 9 GLU H 1 9 GLU HB3 2.730 . 3.660 3.271 2.439 3.613 . 0 0 "[ . 1 . 2]" 1
145 1 9 GLU H 1 9 GLU HG2 3.070 . 4.340 3.064 2.052 4.496 0.156 17 0 "[ . 1 . 2]" 1
146 1 9 GLU H 1 9 GLU QG 2.990 . 4.180 2.590 2.025 3.960 . 0 0 "[ . 1 . 2]" 1
147 1 9 GLU H 1 9 GLU HG3 3.070 . 4.340 3.313 2.182 4.447 0.107 19 0 "[ . 1 . 2]" 1
148 1 9 GLU H 1 10 ALA H 2.640 . 3.480 2.686 2.575 2.823 . 0 0 "[ . 1 . 2]" 1
149 1 9 GLU H 1 11 MET H 3.320 . 4.850 4.283 4.029 4.602 . 0 0 "[ . 1 . 2]" 1
150 1 9 GLU H 1 25 LEU MD1 4.410 . 7.020 4.352 3.155 5.478 . 0 0 "[ . 1 . 2]" 1
151 1 9 GLU H 1 25 LEU MD2 4.010 . 6.230 3.414 2.327 4.596 . 0 0 "[ . 1 . 2]" 1
152 1 9 GLU HA 1 11 MET H 3.230 . 4.670 4.377 3.846 4.727 0.057 20 0 "[ . 1 . 2]" 1
153 1 9 GLU QB 1 10 ALA H 2.900 . 4.000 2.756 2.488 3.543 . 0 0 "[ . 1 . 2]" 1
154 1 9 GLU HB2 1 10 ALA H 3.000 . 4.200 3.091 2.543 3.969 . 0 0 "[ . 1 . 2]" 1
155 1 9 GLU HB3 1 10 ALA H 3.000 . 4.200 3.511 2.726 4.084 . 0 0 "[ . 1 . 2]" 1
156 1 9 GLU QG 1 25 LEU MD1 4.770 . 7.750 4.053 2.055 6.129 . 0 0 "[ . 1 . 2]" 1
157 1 9 GLU QG 1 25 LEU MD2 4.220 . 6.640 3.234 2.005 4.934 . 0 0 "[ . 1 . 2]" 1
158 1 10 ALA H 1 10 ALA MB 2.730 . 3.670 2.237 2.229 2.245 . 0 0 "[ . 1 . 2]" 1
159 1 10 ALA H 1 11 MET H 2.550 . 3.300 2.686 2.545 2.800 . 0 0 "[ . 1 . 2]" 1
160 1 10 ALA MB 1 11 MET H 2.950 . 4.100 2.554 2.388 2.852 . 0 0 "[ . 1 . 2]" 1
161 1 11 MET H 1 11 MET HB2 2.640 . 3.480 2.908 2.371 3.607 0.127 1 0 "[ . 1 . 2]" 1
162 1 11 MET H 1 11 MET HB3 2.640 . 3.480 3.061 2.425 3.591 0.111 7 0 "[ . 1 . 2]" 1
163 1 11 MET H 1 11 MET ME 3.900 . 6.010 4.376 3.474 4.706 . 0 0 "[ . 1 . 2]" 1
164 1 11 MET H 1 11 MET QG 2.920 . 4.040 2.402 2.051 3.974 . 0 0 "[ . 1 . 2]" 1
165 1 11 MET H 1 12 LEU H 2.660 . 3.520 2.594 2.405 2.741 . 0 0 "[ . 1 . 2]" 1
166 1 11 MET H 1 12 LEU QD 4.710 . 7.630 4.375 3.401 5.522 . 0 0 "[ . 1 . 2]" 1
167 1 11 MET HA 1 11 MET ME 3.740 . 5.690 4.160 3.848 4.678 . 0 0 "[ . 1 . 2]" 1
168 1 11 MET HA 1 11 MET HG2 2.870 . 3.950 3.076 2.427 3.811 . 0 0 "[ . 1 . 2]" 1
169 1 11 MET HA 1 11 MET QG 2.770 . 3.740 2.782 2.339 3.356 . 0 0 "[ . 1 . 2]" 1
170 1 11 MET HA 1 11 MET HG3 2.870 . 3.950 3.279 2.542 3.778 . 0 0 "[ . 1 . 2]" 1
171 1 11 MET HA 1 14 GLN H 2.820 . 3.840 3.352 3.086 3.842 0.002 4 0 "[ . 1 . 2]" 1
172 1 11 MET QB 1 12 LEU QD 5.620 . 9.450 3.803 2.451 5.651 . 0 0 "[ . 1 . 2]" 1
173 1 11 MET HB2 1 11 MET ME 3.740 . 5.690 2.379 1.967 3.987 . 0 0 "[ . 1 . 2]" 1
174 1 11 MET HB3 1 11 MET ME 3.740 . 5.690 2.677 1.973 4.045 . 0 0 "[ . 1 . 2]" 1
175 1 11 MET ME 1 12 LEU H 4.010 . 6.230 4.755 4.082 5.936 . 0 0 "[ . 1 . 2]" 1
176 1 11 MET ME 1 12 LEU QD 4.830 . 7.860 4.358 2.552 5.860 . 0 0 "[ . 1 . 2]" 1
177 1 11 MET ME 1 16 THR MG 4.120 . 6.450 3.552 1.808 6.489 0.039 4 0 "[ . 1 . 2]" 1
178 1 11 MET QG 1 12 LEU QD 4.940 . 8.080 4.067 1.764 6.168 0.036 4 0 "[ . 1 . 2]" 1
179 1 12 LEU H 1 12 LEU QB 2.830 . 3.870 2.238 2.170 2.482 . 0 0 "[ . 1 . 2]" 1
180 1 12 LEU H 1 12 LEU MD1 3.980 . 6.160 3.476 2.011 4.294 . 0 0 "[ . 1 . 2]" 1
181 1 12 LEU H 1 12 LEU QD 3.800 . 5.810 2.767 1.924 3.750 . 0 0 "[ . 1 . 2]" 1
182 1 12 LEU H 1 12 LEU MD2 3.980 . 6.160 3.388 1.938 4.271 . 0 0 "[ . 1 . 2]" 1
183 1 12 LEU H 1 14 GLN H 3.160 . 4.520 3.983 3.775 4.496 . 0 0 "[ . 1 . 2]" 1
184 1 12 LEU HA 1 12 LEU MD1 4.070 . 6.340 2.484 1.852 3.899 . 0 0 "[ . 1 . 2]" 1
185 1 12 LEU HA 1 12 LEU MD2 4.070 . 6.340 3.062 1.894 3.940 . 0 0 "[ . 1 . 2]" 1
186 1 12 LEU HA 1 15 GLY H 3.020 . 4.240 3.828 3.004 4.267 0.027 17 0 "[ . 1 . 2]" 1
187 1 12 LEU QB 1 13 ALA H 2.680 . 3.570 2.657 2.407 2.888 . 0 0 "[ . 1 . 2]" 1
188 1 12 LEU HB2 1 13 ALA H 2.800 . 3.800 3.181 2.697 3.876 0.076 9 0 "[ . 1 . 2]" 1
189 1 12 LEU HB3 1 13 ALA H 2.800 . 3.800 3.158 2.435 3.783 . 0 0 "[ . 1 . 2]" 1
190 1 12 LEU QD 1 13 ALA H 4.460 . 7.130 3.783 3.003 4.086 . 0 0 "[ . 1 . 2]" 1
191 1 12 LEU QD 1 15 GLY H 5.180 . 8.570 4.702 3.756 5.582 . 0 0 "[ . 1 . 2]" 1
192 1 12 LEU QD 1 16 THR H 4.790 . 7.780 4.086 3.025 5.664 . 0 0 "[ . 1 . 2]" 1
193 1 12 LEU QD 1 16 THR HA 4.520 . 7.240 5.073 4.406 6.348 . 0 0 "[ . 1 . 2]" 1
194 1 12 LEU QD 1 16 THR HB 4.300 . 6.800 4.221 2.903 5.607 . 0 0 "[ . 1 . 2]" 1
195 1 12 LEU QD 1 17 ASP H 4.950 . 8.100 4.339 3.678 5.390 . 0 0 "[ . 1 . 2]" 1
196 1 12 LEU QD 1 17 ASP HA 4.410 . 7.020 2.796 1.854 4.213 . 0 0 "[ . 1 . 2]" 1
197 1 12 LEU QD 1 17 ASP QB 4.660 . 7.530 3.128 2.068 4.934 . 0 0 "[ . 1 . 2]" 1
198 1 12 LEU QD 1 21 LEU HA 4.680 . 7.560 5.202 4.043 6.372 . 0 0 "[ . 1 . 2]" 1
199 1 12 LEU MD1 1 17 ASP HB2 5.500 . 9.210 3.955 2.366 5.526 . 0 0 "[ . 1 . 2]" 1
200 1 12 LEU MD1 1 17 ASP HB3 5.500 . 9.210 4.558 2.387 6.479 . 0 0 "[ . 1 . 2]" 1
201 1 12 LEU MD2 1 17 ASP HB2 5.500 . 9.210 4.549 2.460 7.059 . 0 0 "[ . 1 . 2]" 1
202 1 12 LEU MD2 1 17 ASP HB3 5.500 . 9.210 5.122 2.367 7.929 . 0 0 "[ . 1 . 2]" 1
203 1 13 ALA H 1 13 ALA HA 2.370 . 2.940 2.847 2.780 2.875 . 0 0 "[ . 1 . 2]" 1
204 1 13 ALA H 1 14 GLN H 2.510 . 3.230 2.578 2.491 2.821 . 0 0 "[ . 1 . 2]" 1
205 1 13 ALA HA 1 15 GLY H 2.930 . 4.060 3.515 3.317 3.778 . 0 0 "[ . 1 . 2]" 1
206 1 13 ALA MB 1 14 GLN QE 3.160 . 4.530 2.872 2.196 4.039 . 0 0 "[ . 1 . 2]" 1
207 1 13 ALA MB 1 14 GLN HG2 4.050 . 6.300 3.893 3.029 5.388 . 0 0 "[ . 1 . 2]" 1
208 1 13 ALA MB 1 14 GLN QG 3.840 . 5.890 3.584 2.988 4.402 . 0 0 "[ . 1 . 2]" 1
209 1 13 ALA MB 1 14 GLN HG3 4.050 . 6.300 4.829 3.149 5.298 . 0 0 "[ . 1 . 2]" 1
210 1 13 ALA MB 1 15 GLY H 4.140 . 6.480 4.308 4.201 4.426 . 0 0 "[ . 1 . 2]" 1
211 1 14 GLN H 1 14 GLN HB2 2.730 . 3.660 2.412 2.219 2.527 . 0 0 "[ . 1 . 2]" 1
212 1 14 GLN H 1 14 GLN QB 2.600 . 3.410 2.378 2.197 2.483 . 0 0 "[ . 1 . 2]" 1
213 1 14 GLN H 1 14 GLN HB3 2.730 . 3.660 3.616 3.512 3.666 0.006 19 0 "[ . 1 . 2]" 1
214 1 14 GLN H 1 14 GLN HG2 2.850 . 3.910 2.954 2.371 4.058 0.148 8 0 "[ . 1 . 2]" 1
215 1 14 GLN H 1 14 GLN QG 2.770 . 3.740 2.737 2.346 3.550 . 0 0 "[ . 1 . 2]" 1
216 1 14 GLN H 1 14 GLN HG3 2.850 . 3.910 3.795 2.611 3.952 0.042 2 0 "[ . 1 . 2]" 1
217 1 14 GLN H 1 15 GLY H 2.530 . 3.260 2.465 2.248 2.676 . 0 0 "[ . 1 . 2]" 1
218 1 14 GLN H 1 16 THR H 2.910 . 4.020 3.678 3.200 4.112 0.092 4 0 "[ . 1 . 2]" 1
219 1 14 GLN HA 1 14 GLN HG2 2.910 . 4.020 3.139 2.610 3.635 . 0 0 "[ . 1 . 2]" 1
220 1 14 GLN HA 1 14 GLN QG 2.830 . 3.870 2.780 2.352 3.038 . 0 0 "[ . 1 . 2]" 1
221 1 14 GLN HA 1 14 GLN HG3 2.910 . 4.020 3.418 2.383 3.798 . 0 0 "[ . 1 . 2]" 1
222 1 14 GLN HA 1 15 GLY H 2.660 . 3.520 3.264 3.092 3.367 . 0 0 "[ . 1 . 2]" 1
223 1 14 GLN QB 1 15 GLY H 3.070 . 4.340 3.382 3.236 3.641 . 0 0 "[ . 1 . 2]" 1
224 1 14 GLN HB2 1 14 GLN HE21 4.240 . 6.690 4.068 3.833 4.514 . 0 0 "[ . 1 . 2]" 1
225 1 14 GLN HB2 1 14 GLN HE22 4.240 . 6.690 4.938 4.281 5.338 . 0 0 "[ . 1 . 2]" 1
226 1 14 GLN HB2 1 15 GLY H 3.160 . 4.520 3.563 3.380 3.889 . 0 0 "[ . 1 . 2]" 1
227 1 14 GLN HB3 1 14 GLN HE21 4.240 . 6.690 4.067 3.837 4.576 . 0 0 "[ . 1 . 2]" 1
228 1 14 GLN HB3 1 14 GLN HE22 4.240 . 6.690 4.612 4.318 5.333 . 0 0 "[ . 1 . 2]" 1
229 1 14 GLN HB3 1 15 GLY H 3.160 . 4.520 4.219 3.950 4.415 . 0 0 "[ . 1 . 2]" 1
230 1 14 GLN QG 1 15 GLY H 4.340 . 6.880 4.536 4.309 4.884 . 0 0 "[ . 1 . 2]" 1
231 1 15 GLY H 1 16 THR H 2.400 . 3.010 2.337 2.100 2.685 . 0 0 "[ . 1 . 2]" 1
232 1 16 THR H 1 16 THR HB 2.600 . 3.410 2.790 2.575 3.029 . 0 0 "[ . 1 . 2]" 1
233 1 16 THR H 1 17 ASP H 2.730 . 3.660 3.575 2.892 3.791 0.131 12 0 "[ . 1 . 2]" 1
234 1 16 THR HA 1 17 ASP H 2.260 . 2.720 2.359 2.168 2.783 0.063 8 0 "[ . 1 . 2]" 1
235 1 16 THR MG 1 17 ASP H 3.180 . 4.570 3.708 3.265 4.204 . 0 0 "[ . 1 . 2]" 1
236 1 16 THR MG 1 18 ASN HD21 3.160 . 4.530 3.314 2.249 4.536 0.006 8 0 "[ . 1 . 2]" 1
237 1 16 THR MG 1 18 ASN QD 3.020 . 4.250 2.913 1.790 4.051 . 0 0 "[ . 1 . 2]" 1
238 1 16 THR MG 1 18 ASN HD22 3.160 . 4.530 3.491 1.836 4.720 0.190 2 0 "[ . 1 . 2]" 1
239 1 17 ASP H 1 17 ASP HB2 2.690 . 3.590 3.091 2.381 3.785 0.195 7 0 "[ . 1 . 2]" 1
240 1 17 ASP H 1 17 ASP QB 2.580 . 3.370 2.469 2.181 2.893 . 0 0 "[ . 1 . 2]" 1
241 1 17 ASP H 1 17 ASP HB3 2.690 . 3.590 2.705 2.301 3.617 0.027 16 0 "[ . 1 . 2]" 1
242 1 18 ASN HA 1 19 MET H 2.670 . 3.550 2.669 2.222 3.572 0.022 12 0 "[ . 1 . 2]" 1
243 1 18 ASN QB 1 19 MET H 2.570 . 3.350 2.545 1.769 3.383 0.033 13 0 "[ . 1 . 2]" 1
244 1 18 ASN HB2 1 19 MET H 2.710 . 3.620 3.327 2.055 3.947 0.327 13 0 "[ . 1 . 2]" 1
245 1 18 ASN HB3 1 19 MET H 2.710 . 3.620 2.919 1.784 3.853 0.233 18 0 "[ . 1 . 2]" 1
246 1 19 MET H 1 19 MET ME 4.140 . 6.480 5.555 3.651 6.016 . 0 0 "[ . 1 . 2]" 1
247 1 19 MET H 1 20 LEU H 2.690 . 3.590 2.409 1.778 3.481 0.012 3 0 "[ . 1 . 2]" 1
248 1 19 MET HA 1 19 MET ME 4.410 . 7.020 4.481 3.081 5.192 . 0 0 "[ . 1 . 2]" 1
249 1 19 MET HA 1 45 ALA MB 3.960 . 6.120 4.459 3.087 6.029 . 0 0 "[ . 1 . 2]" 1
250 1 19 MET QB 1 49 ASP H 4.340 . 6.880 5.610 3.541 6.915 0.035 20 0 "[ . 1 . 2]" 1
251 1 19 MET ME 1 20 LEU H 3.790 . 5.790 4.958 3.473 5.689 . 0 0 "[ . 1 . 2]" 1
252 1 19 MET ME 1 20 LEU HA 3.760 . 5.720 4.409 3.228 5.722 0.002 20 0 "[ . 1 . 2]" 1
253 1 19 MET ME 1 20 LEU MD1 4.500 . 7.210 5.055 2.980 6.855 . 0 0 "[ . 1 . 2]" 1
254 1 19 MET ME 1 20 LEU QD 4.280 . 6.770 3.996 2.122 5.772 . 0 0 "[ . 1 . 2]" 1
255 1 19 MET ME 1 20 LEU MD2 4.500 . 7.210 4.529 2.126 6.500 . 0 0 "[ . 1 . 2]" 1
256 1 19 MET ME 1 48 PHE QD 5.470 . 9.150 4.827 2.310 7.145 . 0 0 "[ . 1 . 2]" 1
257 1 19 MET ME 1 52 TYR H 4.010 . 6.230 4.581 3.123 6.261 0.031 13 0 "[ . 1 . 2]" 1
258 1 19 MET ME 1 52 TYR HA 4.410 . 7.020 4.873 3.616 6.156 . 0 0 "[ . 1 . 2]" 1
259 1 19 MET ME 1 52 TYR QD 4.250 . 6.700 3.112 2.212 4.896 . 0 0 "[ . 1 . 2]" 1
260 1 19 MET ME 1 52 TYR QE 4.560 . 7.320 3.995 2.937 6.259 . 0 0 "[ . 1 . 2]" 1
261 1 19 MET QG 1 45 ALA MB 3.850 . 5.910 3.692 1.924 5.248 . 0 0 "[ . 1 . 2]" 1
262 1 19 MET QG 1 48 PHE QB 4.140 . 6.480 3.248 2.066 4.905 . 0 0 "[ . 1 . 2]" 1
263 1 19 MET QG 1 49 ASP H 3.740 . 5.690 4.275 2.922 5.663 . 0 0 "[ . 1 . 2]" 1
264 1 19 MET QG 1 49 ASP QB 3.880 . 5.970 2.962 1.786 4.402 0.004 9 0 "[ . 1 . 2]" 1
265 1 19 MET QG 1 52 TYR QD 5.190 . 8.580 4.989 2.289 6.192 . 0 0 "[ . 1 . 2]" 1
266 1 19 MET HG2 1 45 ALA MB 3.920 . 6.050 4.104 1.951 6.015 . 0 0 "[ . 1 . 2]" 1
267 1 19 MET HG2 1 48 PHE QB 4.250 . 6.700 3.942 2.222 6.215 . 0 0 "[ . 1 . 2]" 1
268 1 19 MET HG2 1 49 ASP HB2 4.490 . 7.180 4.405 2.781 6.023 . 0 0 "[ . 1 . 2]" 1
269 1 19 MET HG2 1 49 ASP HB3 4.490 . 7.180 4.344 2.506 6.020 . 0 0 "[ . 1 . 2]" 1
270 1 19 MET HG3 1 45 ALA MB 3.920 . 6.050 4.481 2.918 6.069 0.019 20 0 "[ . 1 . 2]" 1
271 1 19 MET HG3 1 48 PHE QB 4.250 . 6.700 3.666 2.132 5.898 . 0 0 "[ . 1 . 2]" 1
272 1 19 MET HG3 1 49 ASP HB2 4.490 . 7.180 3.811 2.777 5.636 . 0 0 "[ . 1 . 2]" 1
273 1 19 MET HG3 1 49 ASP HB3 4.490 . 7.180 3.829 1.816 5.957 . 0 0 "[ . 1 . 2]" 1
274 1 20 LEU H 1 20 LEU QB 2.800 . 3.800 2.248 2.056 2.533 . 0 0 "[ . 1 . 2]" 1
275 1 20 LEU H 1 20 LEU MD1 4.170 . 6.550 3.949 3.337 4.312 . 0 0 "[ . 1 . 2]" 1
276 1 20 LEU H 1 20 LEU QD 3.960 . 6.130 3.158 1.765 3.747 0.025 20 0 "[ . 1 . 2]" 1
277 1 20 LEU H 1 20 LEU MD2 4.170 . 6.550 3.464 1.767 4.312 0.023 20 0 "[ . 1 . 2]" 1
278 1 20 LEU H 1 21 LEU H 2.710 . 3.620 2.839 2.513 3.714 0.094 12 0 "[ . 1 . 2]" 1
279 1 20 LEU QD 1 21 LEU H 5.180 . 8.570 3.726 3.065 4.386 . 0 0 "[ . 1 . 2]" 1
280 1 20 LEU QD 1 23 PHE HA 4.710 . 7.630 5.825 4.995 6.997 . 0 0 "[ . 1 . 2]" 1
281 1 20 LEU QD 1 23 PHE QB 5.080 . 8.370 3.549 2.489 5.269 . 0 0 "[ . 1 . 2]" 1
282 1 20 LEU QD 1 23 PHE QD 5.690 . 9.580 3.363 2.508 4.511 . 0 0 "[ . 1 . 2]" 1
283 1 20 LEU QD 1 52 TYR QE 5.290 . 8.790 3.244 2.093 5.377 . 0 0 "[ . 1 . 2]" 1
284 1 20 LEU HG 1 52 TYR QD 4.780 . 7.770 6.759 4.646 7.847 0.077 8 0 "[ . 1 . 2]" 1
285 1 21 LEU H 1 21 LEU QB 2.830 . 3.860 2.468 2.073 3.383 . 0 0 "[ . 1 . 2]" 1
286 1 21 LEU H 1 22 ARG H 2.840 . 3.880 2.449 1.788 2.906 0.012 12 0 "[ . 1 . 2]" 1
287 1 21 LEU QB 1 25 LEU MD1 4.250 . 6.710 4.182 3.374 4.891 . 0 0 "[ . 1 . 2]" 1
288 1 21 LEU HG 1 25 LEU MD1 4.260 . 6.730 4.803 2.390 6.492 . 0 0 "[ . 1 . 2]" 1
289 1 22 ARG H 1 23 PHE H 3.030 . 4.270 2.613 2.469 2.840 . 0 0 "[ . 1 . 2]" 1
290 1 22 ARG QD 1 44 ALA MB 4.850 . 7.900 3.409 1.949 5.402 . 0 0 "[ . 1 . 2]" 1
291 1 22 ARG QD 1 45 ALA H 4.340 . 6.880 4.501 3.452 6.896 0.016 4 0 "[ . 1 . 2]" 1
292 1 22 ARG QD 1 45 ALA MB 4.740 . 7.680 3.570 1.900 5.369 . 0 0 "[ . 1 . 2]" 1
293 1 23 PHE H 1 23 PHE HB2 2.750 . 3.700 2.933 2.203 3.659 . 0 0 "[ . 1 . 2]" 1
294 1 23 PHE H 1 23 PHE QB 2.670 . 3.540 2.335 2.182 2.709 . 0 0 "[ . 1 . 2]" 1
295 1 23 PHE H 1 23 PHE HB3 2.750 . 3.700 2.596 2.315 3.598 . 0 0 "[ . 1 . 2]" 1
296 1 23 PHE H 1 24 THR H 3.020 . 4.240 2.597 2.512 2.694 . 0 0 "[ . 1 . 2]" 1
297 1 23 PHE H 1 45 ALA MB 3.520 . 5.250 3.807 2.687 5.001 . 0 0 "[ . 1 . 2]" 1
298 1 23 PHE HA 1 42 LEU QD 4.050 . 6.300 3.204 2.280 4.278 . 0 0 "[ . 1 . 2]" 1
299 1 23 PHE HA 1 45 ALA MB 3.520 . 5.250 3.339 2.585 4.292 . 0 0 "[ . 1 . 2]" 1
300 1 23 PHE QB 1 45 ALA MB 4.410 . 7.030 3.089 1.936 4.582 . 0 0 "[ . 1 . 2]" 1
301 1 23 PHE QD 1 42 LEU QD 5.720 . 9.650 3.575 2.078 5.763 . 0 0 "[ . 1 . 2]" 1
302 1 23 PHE QD 1 45 ALA MB 5.310 . 8.820 3.536 2.107 5.747 . 0 0 "[ . 1 . 2]" 1
303 1 24 THR H 1 24 THR HB 2.640 . 3.480 2.598 2.476 2.705 . 0 0 "[ . 1 . 2]" 1
304 1 24 THR H 1 25 LEU H 3.000 . 4.200 2.684 2.542 2.826 . 0 0 "[ . 1 . 2]" 1
305 1 24 THR MG 1 25 LEU H 3.580 . 5.360 3.348 2.239 3.751 . 0 0 "[ . 1 . 2]" 1
306 1 24 THR MG 1 25 LEU MD1 4.590 . 7.390 4.549 1.869 5.613 . 0 0 "[ . 1 . 2]" 1
307 1 25 LEU H 1 25 LEU HB2 2.750 . 3.700 2.380 2.105 2.497 . 0 0 "[ . 1 . 2]" 1
308 1 25 LEU H 1 25 LEU QB 2.660 . 3.520 2.346 2.064 2.453 . 0 0 "[ . 1 . 2]" 1
309 1 25 LEU H 1 25 LEU HB3 2.750 . 3.700 3.549 2.973 3.604 . 0 0 "[ . 1 . 2]" 1
310 1 25 LEU H 1 25 LEU MD1 3.880 . 5.970 3.137 1.807 4.097 . 0 0 "[ . 1 . 2]" 1
311 1 25 LEU H 1 25 LEU MD2 4.030 . 6.260 3.678 3.265 4.282 . 0 0 "[ . 1 . 2]" 1
312 1 25 LEU H 1 25 LEU HG 2.980 . 4.160 2.874 2.278 4.034 . 0 0 "[ . 1 . 2]" 1
313 1 25 LEU H 1 26 GLY H 2.930 . 4.060 2.693 2.501 2.804 . 0 0 "[ . 1 . 2]" 1
314 1 25 LEU HA 1 25 LEU MD1 3.700 . 5.610 3.546 2.560 3.882 . 0 0 "[ . 1 . 2]" 1
315 1 25 LEU HA 1 25 LEU MD2 3.540 . 5.290 2.526 1.850 3.770 . 0 0 "[ . 1 . 2]" 1
316 1 25 LEU MD1 1 26 GLY H 3.970 . 6.150 4.308 3.801 4.665 . 0 0 "[ . 1 . 2]" 1
317 1 25 LEU MD1 1 29 TYR QD 5.470 . 9.150 5.423 4.545 6.267 . 0 0 "[ . 1 . 2]" 1
318 1 25 LEU MD1 1 29 TYR QE 4.160 . 6.520 4.132 3.145 5.303 . 0 0 "[ . 1 . 2]" 1
319 1 25 LEU MD2 1 26 GLY H 4.170 . 6.550 4.625 3.785 4.920 . 0 0 "[ . 1 . 2]" 1
320 1 25 LEU MD2 1 29 TYR QD 4.950 . 8.100 4.746 3.357 5.575 . 0 0 "[ . 1 . 2]" 1
321 1 25 LEU MD2 1 29 TYR QE 4.030 . 6.270 3.454 1.912 4.550 . 0 0 "[ . 1 . 2]" 1
322 1 25 LEU HG 1 29 TYR QE 4.960 . 8.130 5.098 3.658 6.357 . 0 0 "[ . 1 . 2]" 1
323 1 26 GLY H 1 27 LYS H 2.670 . 3.550 2.715 2.539 2.845 . 0 0 "[ . 1 . 2]" 1
324 1 26 GLY H 1 41 HIS QB 4.000 . 6.200 3.974 2.620 5.314 . 0 0 "[ . 1 . 2]" 1
325 1 26 GLY H 1 42 LEU QD 5.180 . 8.570 3.723 3.074 4.946 . 0 0 "[ . 1 . 2]" 1
326 1 26 GLY QA 1 38 ALA MB 3.980 . 6.170 3.012 2.452 3.763 . 0 0 "[ . 1 . 2]" 1
327 1 26 GLY QA 1 42 LEU QD 4.410 . 7.030 2.281 1.773 3.414 0.017 5 0 "[ . 1 . 2]" 1
328 1 26 GLY HA2 1 42 LEU MD1 5.290 . 8.780 4.005 2.422 4.943 . 0 0 "[ . 1 . 2]" 1
329 1 26 GLY HA2 1 42 LEU MD2 5.290 . 8.780 4.260 2.762 6.357 . 0 0 "[ . 1 . 2]" 1
330 1 26 GLY HA3 1 42 LEU MD1 5.290 . 8.780 3.088 1.864 4.101 . 0 0 "[ . 1 . 2]" 1
331 1 26 GLY HA3 1 42 LEU MD2 5.290 . 8.780 3.163 1.797 5.296 0.003 5 0 "[ . 1 . 2]" 1
332 1 27 LYS H 1 27 LYS HB2 2.660 . 3.520 2.561 2.220 3.589 0.069 6 0 "[ . 1 . 2]" 1
333 1 27 LYS H 1 27 LYS HB3 2.660 . 3.520 3.052 2.400 3.581 0.061 15 0 "[ . 1 . 2]" 1
334 1 27 LYS H 1 27 LYS QD 3.470 . 5.150 3.963 3.600 4.583 . 0 0 "[ . 1 . 2]" 1
335 1 27 LYS H 1 27 LYS HG2 3.900 . 6.000 3.663 2.046 4.602 . 0 0 "[ . 1 . 2]" 1
336 1 27 LYS H 1 27 LYS QG 3.660 . 5.520 2.959 2.029 4.033 . 0 0 "[ . 1 . 2]" 1
337 1 27 LYS H 1 27 LYS HG3 3.900 . 6.000 3.399 2.127 4.549 . 0 0 "[ . 1 . 2]" 1
338 1 27 LYS H 1 28 THR H 2.840 . 3.880 2.713 2.647 2.824 . 0 0 "[ . 1 . 2]" 1
339 1 27 LYS H 1 30 ALA MB 4.150 . 6.510 4.847 4.508 5.308 . 0 0 "[ . 1 . 2]" 1
340 1 27 LYS H 1 42 LEU QD 4.460 . 7.130 3.489 2.354 4.350 . 0 0 "[ . 1 . 2]" 1
341 1 27 LYS HA 1 27 LYS QD 4.340 . 6.880 3.719 2.103 4.509 . 0 0 "[ . 1 . 2]" 1
342 1 27 LYS HA 1 29 TYR H 3.480 . 5.170 4.458 4.192 4.676 . 0 0 "[ . 1 . 2]" 1
343 1 27 LYS HA 1 30 ALA H 3.230 . 4.670 3.537 3.216 3.844 . 0 0 "[ . 1 . 2]" 1
344 1 27 LYS HA 1 30 ALA MB 3.810 . 5.830 2.811 2.440 3.306 . 0 0 "[ . 1 . 2]" 1
345 1 27 LYS QB 1 27 LYS QE 3.640 . 5.480 2.947 1.793 3.819 0.007 2 0 "[ . 1 . 2]" 1
346 1 27 LYS QB 1 28 THR H 3.000 . 4.210 2.623 2.359 3.474 . 0 0 "[ . 1 . 2]" 1
347 1 27 LYS HB2 1 27 LYS HE2 3.860 . 5.930 3.915 1.925 5.472 . 0 0 "[ . 1 . 2]" 1
348 1 27 LYS HB2 1 27 LYS HE3 3.860 . 5.930 4.183 2.219 4.933 . 0 0 "[ . 1 . 2]" 1
349 1 27 LYS HB2 1 28 THR H 3.160 . 4.520 3.208 2.417 4.002 . 0 0 "[ . 1 . 2]" 1
350 1 27 LYS HB3 1 27 LYS HE2 3.860 . 5.930 3.718 1.832 4.876 . 0 0 "[ . 1 . 2]" 1
351 1 27 LYS HB3 1 27 LYS HE3 3.860 . 5.930 4.162 2.773 5.482 . 0 0 "[ . 1 . 2]" 1
352 1 27 LYS HB3 1 28 THR H 3.160 . 4.520 3.181 2.385 4.068 . 0 0 "[ . 1 . 2]" 1
353 1 27 LYS QD 1 58 TRP HE1 3.400 . 5.010 4.085 3.046 4.730 . 0 0 "[ . 1 . 2]" 1
354 1 27 LYS HD2 1 58 TRP HE1 3.570 . 5.350 4.487 3.100 5.431 0.081 18 0 "[ . 1 . 2]" 1
355 1 27 LYS HD3 1 58 TRP HE1 3.570 . 5.350 5.026 3.972 5.392 0.042 16 0 "[ . 1 . 2]" 1
356 1 27 LYS QE 1 58 TRP HE1 2.770 . 3.750 2.749 2.193 3.615 . 0 0 "[ . 1 . 2]" 1
357 1 27 LYS QE 1 58 TRP HH2 4.230 . 6.660 3.930 3.217 4.933 . 0 0 "[ . 1 . 2]" 1
358 1 27 LYS HE2 1 58 TRP HE1 3.000 . 4.200 3.588 2.519 4.255 0.055 10 0 "[ . 1 . 2]" 1
359 1 27 LYS HE2 1 58 TRP HZ2 2.780 . 3.770 2.759 2.150 3.797 0.027 6 0 "[ . 1 . 2]" 1
360 1 27 LYS HE3 1 58 TRP HE1 3.000 . 4.200 3.108 2.205 4.229 0.029 16 0 "[ . 1 . 2]" 1
361 1 27 LYS HE3 1 58 TRP HZ2 2.780 . 3.770 3.296 2.206 3.845 0.075 5 0 "[ . 1 . 2]" 1
362 1 27 LYS QG 1 28 THR H 4.340 . 6.880 3.759 2.118 4.291 . 0 0 "[ . 1 . 2]" 1
363 1 28 THR H 1 28 THR HB 2.780 . 3.770 2.606 2.528 2.747 . 0 0 "[ . 1 . 2]" 1
364 1 28 THR H 1 28 THR MG 3.180 . 4.570 3.760 3.708 3.779 . 0 0 "[ . 1 . 2]" 1
365 1 28 THR H 1 29 TYR H 2.820 . 3.840 2.663 2.553 2.791 . 0 0 "[ . 1 . 2]" 1
366 1 28 THR H 1 30 ALA H 3.270 . 4.740 4.123 3.978 4.291 . 0 0 "[ . 1 . 2]" 1
367 1 28 THR H 1 31 GLU QB 3.760 . 5.730 5.027 4.700 5.377 . 0 0 "[ . 1 . 2]" 1
368 1 28 THR HA 1 30 ALA H 3.050 . 4.310 4.366 4.302 4.406 0.096 19 0 "[ . 1 . 2]" 1
369 1 28 THR HA 1 31 GLU H 3.180 . 4.560 3.478 3.215 3.748 . 0 0 "[ . 1 . 2]" 1
370 1 28 THR HA 1 31 GLU HB2 3.110 . 4.420 2.770 2.217 3.172 . 0 0 "[ . 1 . 2]" 1
371 1 28 THR HA 1 31 GLU HB3 3.110 . 4.420 4.271 3.358 4.476 0.056 20 0 "[ . 1 . 2]" 1
372 1 28 THR MG 1 29 TYR H 3.760 . 5.720 3.635 3.491 3.733 . 0 0 "[ . 1 . 2]" 1
373 1 28 THR MG 1 31 GLU QB 4.850 . 7.900 3.710 3.248 4.042 . 0 0 "[ . 1 . 2]" 1
374 1 28 THR MG 1 32 HIS HD2 2.860 . 3.920 3.192 2.262 3.954 0.034 17 0 "[ . 1 . 2]" 1
375 1 29 TYR H 1 29 TYR HB2 2.940 . 4.090 2.437 2.303 2.598 . 0 0 "[ . 1 . 2]" 1
376 1 29 TYR H 1 29 TYR QB 2.840 . 3.890 2.399 2.277 2.544 . 0 0 "[ . 1 . 2]" 1
377 1 29 TYR H 1 29 TYR HB3 2.940 . 4.090 3.602 3.568 3.632 . 0 0 "[ . 1 . 2]" 1
378 1 29 TYR H 1 30 ALA H 2.710 . 3.620 2.650 2.548 2.768 . 0 0 "[ . 1 . 2]" 1
379 1 29 TYR H 1 30 ALA MB 3.740 . 5.690 4.340 4.225 4.449 . 0 0 "[ . 1 . 2]" 1
380 1 29 TYR H 1 31 GLU H 3.810 . 5.820 4.187 4.076 4.337 . 0 0 "[ . 1 . 2]" 1
381 1 29 TYR H 1 37 ALA MB 4.410 . 7.020 5.702 4.829 6.440 . 0 0 "[ . 1 . 2]" 1
382 1 29 TYR H 1 38 ALA MB 3.670 . 5.540 4.088 3.744 4.461 . 0 0 "[ . 1 . 2]" 1
383 1 29 TYR HA 1 38 ALA MB 3.920 . 6.050 4.386 4.076 4.967 . 0 0 "[ . 1 . 2]" 1
384 1 29 TYR QB 1 38 ALA H 3.380 . 4.960 3.128 2.864 3.567 . 0 0 "[ . 1 . 2]" 1
385 1 29 TYR QB 1 38 ALA MB 3.400 . 5.000 2.071 1.791 2.679 0.009 13 0 "[ . 1 . 2]" 1
386 1 29 TYR HB2 1 30 ALA H 3.070 . 4.340 2.659 2.493 2.850 . 0 0 "[ . 1 . 2]" 1
387 1 29 TYR HB2 1 37 ALA MB 3.790 . 5.790 4.047 2.915 5.066 . 0 0 "[ . 1 . 2]" 1
388 1 29 TYR HB2 1 38 ALA H 3.660 . 5.530 3.944 3.464 4.813 . 0 0 "[ . 1 . 2]" 1
389 1 29 TYR HB2 1 38 ALA MB 3.540 . 5.290 2.242 1.962 2.857 . 0 0 "[ . 1 . 2]" 1
390 1 29 TYR HB3 1 30 ALA H 3.070 . 4.340 3.563 3.304 3.718 . 0 0 "[ . 1 . 2]" 1
391 1 29 TYR HB3 1 37 ALA MB 3.790 . 5.790 2.935 2.258 3.939 . 0 0 "[ . 1 . 2]" 1
392 1 29 TYR HB3 1 38 ALA H 3.660 . 5.530 3.310 2.964 3.970 . 0 0 "[ . 1 . 2]" 1
393 1 29 TYR HB3 1 38 ALA MB 3.540 . 5.290 2.566 1.837 3.604 . 0 0 "[ . 1 . 2]" 1
394 1 29 TYR QD 1 34 GLN QB 4.590 . 7.390 2.733 2.008 3.443 . 0 0 "[ . 1 . 2]" 1
395 1 29 TYR QD 1 37 ALA MB 4.530 . 7.270 3.130 2.433 4.140 . 0 0 "[ . 1 . 2]" 1
396 1 29 TYR QD 1 38 ALA MB 5.470 . 9.150 3.456 2.750 4.234 . 0 0 "[ . 1 . 2]" 1
397 1 29 TYR QE 1 37 ALA MB 4.500 . 7.210 3.636 3.086 4.886 . 0 0 "[ . 1 . 2]" 1
398 1 29 TYR QE 1 38 ALA MB 4.840 . 7.890 5.201 4.485 6.042 . 0 0 "[ . 1 . 2]" 1
399 1 30 ALA H 1 31 GLU H 2.710 . 3.620 2.632 2.548 2.730 . 0 0 "[ . 1 . 2]" 1
400 1 30 ALA H 1 38 ALA MB 3.690 . 5.580 3.020 2.544 3.647 . 0 0 "[ . 1 . 2]" 1
401 1 30 ALA HA 1 33 GLU H 3.210 . 4.630 3.681 3.484 4.038 . 0 0 "[ . 1 . 2]" 1
402 1 30 ALA HA 1 34 GLN H 2.600 . 3.410 3.408 3.251 3.454 0.044 19 0 "[ . 1 . 2]" 1
403 1 30 ALA HA 1 35 PHE H 3.000 . 4.200 3.957 3.292 4.260 0.061 4 0 "[ . 1 . 2]" 1
404 1 30 ALA HA 1 35 PHE HA 2.710 . 3.620 2.964 2.042 3.570 . 0 0 "[ . 1 . 2]" 1
405 1 30 ALA HA 1 35 PHE QD 4.130 . 6.470 3.271 2.915 3.774 . 0 0 "[ . 1 . 2]" 1
406 1 30 ALA HA 1 35 PHE QE 4.440 . 7.090 3.788 2.958 5.947 . 0 0 "[ . 1 . 2]" 1
407 1 30 ALA HA 1 38 ALA MB 3.580 . 5.360 3.264 2.806 3.901 . 0 0 "[ . 1 . 2]" 1
408 1 30 ALA MB 1 31 GLU HA 3.830 . 5.870 3.858 3.814 3.908 . 0 0 "[ . 1 . 2]" 1
409 1 30 ALA MB 1 32 HIS H 3.600 . 5.400 4.334 4.200 4.508 . 0 0 "[ . 1 . 2]" 1
410 1 30 ALA MB 1 33 GLU H 4.410 . 7.020 4.532 4.404 4.734 . 0 0 "[ . 1 . 2]" 1
411 1 30 ALA MB 1 34 GLN H 4.240 . 6.690 4.837 4.705 4.874 . 0 0 "[ . 1 . 2]" 1
412 1 30 ALA MB 1 35 PHE QD 5.150 . 8.500 3.037 2.585 4.301 . 0 0 "[ . 1 . 2]" 1
413 1 30 ALA MB 1 35 PHE QE 4.340 . 6.880 2.921 2.000 6.141 . 0 0 "[ . 1 . 2]" 1
414 1 30 ALA MB 1 42 LEU QD 5.690 . 9.590 3.474 2.849 4.197 . 0 0 "[ . 1 . 2]" 1
415 1 30 ALA MB 1 58 TRP HE3 3.700 . 5.610 2.932 2.365 3.784 . 0 0 "[ . 1 . 2]" 1
416 1 30 ALA MB 1 58 TRP HH2 3.690 . 5.580 4.217 3.450 5.485 . 0 0 "[ . 1 . 2]" 1
417 1 30 ALA MB 1 58 TRP HZ3 2.880 . 3.960 2.641 2.011 3.948 . 0 0 "[ . 1 . 2]" 1
418 1 30 ALA MB 1 62 THR MG 4.920 . 8.040 3.263 2.197 4.172 . 0 0 "[ . 1 . 2]" 1
419 1 31 GLU H 1 31 GLU HB2 2.710 . 3.620 2.383 1.975 2.509 . 0 0 "[ . 1 . 2]" 1
420 1 31 GLU H 1 31 GLU QB 2.620 . 3.440 2.346 1.950 2.465 . 0 0 "[ . 1 . 2]" 1
421 1 31 GLU H 1 31 GLU HB3 2.710 . 3.620 3.519 2.844 3.604 . 0 0 "[ . 1 . 2]" 1
422 1 31 GLU H 1 31 GLU HG2 2.850 . 3.910 3.060 2.138 3.967 0.057 14 0 "[ . 1 . 2]" 1
423 1 31 GLU H 1 31 GLU QG 2.750 . 3.700 2.443 2.122 3.647 . 0 0 "[ . 1 . 2]" 1
424 1 31 GLU H 1 31 GLU HG3 2.850 . 3.910 3.041 2.238 4.256 0.346 14 0 "[ . 1 . 2]" 1
425 1 31 GLU H 1 32 HIS H 2.690 . 3.590 2.601 2.538 2.715 . 0 0 "[ . 1 . 2]" 1
426 1 31 GLU H 1 33 GLU H 3.360 . 4.920 4.060 3.856 4.258 . 0 0 "[ . 1 . 2]" 1
427 1 31 GLU QB 1 32 HIS H 3.130 . 4.470 2.878 2.639 3.001 . 0 0 "[ . 1 . 2]" 1
428 1 31 GLU QB 1 32 HIS HD2 3.310 . 4.820 3.138 1.847 4.707 . 0 0 "[ . 1 . 2]" 1
429 1 31 GLU HB2 1 32 HIS HD2 3.540 . 5.280 3.489 2.098 5.289 0.009 15 0 "[ . 1 . 2]" 1
430 1 31 GLU HB3 1 32 HIS HD2 3.540 . 5.280 3.874 1.854 5.310 0.030 16 0 "[ . 1 . 2]" 1
431 1 31 GLU QG 1 58 TRP HH2 3.230 . 4.660 2.876 1.850 3.935 . 0 0 "[ . 1 . 2]" 1
432 1 31 GLU HG2 1 58 TRP HH2 3.300 . 4.810 3.036 1.884 4.572 . 0 0 "[ . 1 . 2]" 1
433 1 31 GLU HG3 1 58 TRP HH2 3.300 . 4.810 3.728 2.702 4.871 0.061 10 0 "[ . 1 . 2]" 1
434 1 32 HIS H 1 32 HIS HB2 2.660 . 3.520 2.329 2.243 2.510 . 0 0 "[ . 1 . 2]" 1
435 1 32 HIS H 1 32 HIS QB 2.550 . 3.300 2.287 2.196 2.358 . 0 0 "[ . 1 . 2]" 1
436 1 32 HIS H 1 32 HIS HB3 2.660 . 3.520 3.434 2.864 3.609 0.089 13 0 "[ . 1 . 2]" 1
437 1 32 HIS H 1 33 GLU H 2.530 . 3.260 2.530 2.440 2.673 . 0 0 "[ . 1 . 2]" 1
438 1 32 HIS H 1 33 GLU HA 3.320 . 4.850 4.691 4.569 4.858 0.008 14 0 "[ . 1 . 2]" 1
439 1 32 HIS H 1 34 GLN H 2.960 . 4.130 3.387 3.154 3.715 . 0 0 "[ . 1 . 2]" 1
440 1 32 HIS HA 1 32 HIS HD2 2.840 . 3.880 3.278 2.523 3.922 0.042 9 0 "[ . 1 . 2]" 1
441 1 32 HIS HA 1 33 GLU H 2.660 . 3.520 3.122 3.044 3.203 . 0 0 "[ . 1 . 2]" 1
442 1 32 HIS QB 1 34 GLN H 3.550 . 5.300 3.230 2.887 3.619 . 0 0 "[ . 1 . 2]" 1
443 1 33 GLU H 1 33 GLU HB2 2.670 . 3.550 3.218 3.090 3.573 0.023 12 0 "[ . 1 . 2]" 1
444 1 33 GLU H 1 33 GLU HB3 2.890 . 3.980 3.799 3.667 4.077 0.097 18 0 "[ . 1 . 2]" 1
445 1 33 GLU H 1 33 GLU HG2 3.570 . 5.350 4.597 3.158 4.991 . 0 0 "[ . 1 . 2]" 1
446 1 33 GLU H 1 33 GLU QG 3.370 . 4.940 3.841 2.750 4.199 . 0 0 "[ . 1 . 2]" 1
447 1 33 GLU H 1 33 GLU HG3 3.570 . 5.350 4.123 2.878 4.580 . 0 0 "[ . 1 . 2]" 1
448 1 33 GLU H 1 34 GLN H 2.580 . 3.370 2.584 2.520 2.717 . 0 0 "[ . 1 . 2]" 1
449 1 33 GLU H 1 35 PHE QE 4.960 . 8.130 4.445 4.028 5.224 . 0 0 "[ . 1 . 2]" 1
450 1 33 GLU HA 1 35 PHE H 2.980 . 4.160 3.547 3.355 4.086 . 0 0 "[ . 1 . 2]" 1
451 1 33 GLU HA 1 35 PHE QE 4.480 . 7.160 2.662 2.152 3.155 . 0 0 "[ . 1 . 2]" 1
452 1 33 GLU QG 1 35 PHE QE 4.860 . 7.930 2.264 1.781 3.128 0.009 9 0 "[ . 1 . 2]" 1
453 1 33 GLU QG 1 35 PHE HZ 3.240 . 4.680 3.709 3.092 4.336 . 0 0 "[ . 1 . 2]" 1
454 1 34 GLN H 1 34 GLN HB2 2.910 . 4.020 2.585 2.390 2.866 . 0 0 "[ . 1 . 2]" 1
455 1 34 GLN H 1 34 GLN QB 2.830 . 3.870 2.429 2.332 2.573 . 0 0 "[ . 1 . 2]" 1
456 1 34 GLN H 1 34 GLN HB3 2.910 . 4.020 3.230 2.572 3.737 . 0 0 "[ . 1 . 2]" 1
457 1 34 GLN H 1 34 GLN QG 3.870 . 5.950 3.295 2.332 4.158 . 0 0 "[ . 1 . 2]" 1
458 1 34 GLN H 1 35 PHE H 2.840 . 3.880 3.209 2.805 3.637 . 0 0 "[ . 1 . 2]" 1
459 1 34 GLN H 1 35 PHE QE 4.960 . 8.130 5.050 4.826 5.290 . 0 0 "[ . 1 . 2]" 1
460 1 34 GLN H 1 37 ALA MB 4.410 . 7.020 5.286 4.940 5.556 . 0 0 "[ . 1 . 2]" 1
461 1 34 GLN HA 1 35 PHE H 2.370 . 2.940 2.594 2.318 2.710 . 0 0 "[ . 1 . 2]" 1
462 1 34 GLN HA 1 36 ASP H 3.140 . 4.490 3.525 3.268 3.887 . 0 0 "[ . 1 . 2]" 1
463 1 34 GLN QB 1 37 ALA MB 3.870 . 5.950 2.774 2.066 3.395 . 0 0 "[ . 1 . 2]" 1
464 1 34 GLN QG 1 35 PHE H 4.340 . 6.880 4.487 3.886 4.837 . 0 0 "[ . 1 . 2]" 1
465 1 34 GLN QG 1 37 ALA MB 4.850 . 7.900 3.122 1.776 4.635 0.024 1 0 "[ . 1 . 2]" 1
466 1 35 PHE H 1 35 PHE HB2 2.640 . 3.480 2.603 2.460 3.517 0.037 16 0 "[ . 1 . 2]" 1
467 1 35 PHE H 1 35 PHE HB3 2.820 . 3.840 3.543 2.817 3.591 . 0 0 "[ . 1 . 2]" 1
468 1 35 PHE H 1 36 ASP H 2.600 . 3.410 2.746 2.522 2.946 . 0 0 "[ . 1 . 2]" 1
469 1 35 PHE H 1 37 ALA H 3.120 . 4.450 4.440 4.191 4.519 0.069 19 0 "[ . 1 . 2]" 1
470 1 35 PHE H 1 38 ALA MB 4.410 . 7.020 4.483 4.164 4.931 . 0 0 "[ . 1 . 2]" 1
471 1 35 PHE H 1 62 THR MG 3.720 . 5.650 4.598 4.286 4.922 . 0 0 "[ . 1 . 2]" 1
472 1 35 PHE HA 1 38 ALA MB 3.850 . 5.900 2.331 1.970 2.641 . 0 0 "[ . 1 . 2]" 1
473 1 35 PHE HA 1 62 THR MG 3.380 . 4.970 2.543 1.928 3.294 . 0 0 "[ . 1 . 2]" 1
474 1 35 PHE HB2 1 36 ASP H 2.640 . 3.480 2.770 2.540 3.566 0.086 16 0 "[ . 1 . 2]" 1
475 1 35 PHE HB2 1 62 THR MG 3.900 . 6.010 3.501 1.982 4.037 . 0 0 "[ . 1 . 2]" 1
476 1 35 PHE HB3 1 36 ASP H 2.980 . 4.160 3.792 3.549 4.175 0.015 16 0 "[ . 1 . 2]" 1
477 1 35 PHE HB3 1 62 THR MG 3.490 . 5.180 2.163 1.781 2.622 0.019 1 0 "[ . 1 . 2]" 1
478 1 35 PHE QD 1 36 ASP H 4.620 . 7.440 3.996 2.667 4.380 . 0 0 "[ . 1 . 2]" 1
479 1 35 PHE QD 1 38 ALA MB 5.330 . 8.860 3.813 3.289 4.774 . 0 0 "[ . 1 . 2]" 1
480 1 35 PHE QD 1 62 THR HA 4.580 . 7.370 2.180 1.761 4.800 0.029 13 0 "[ . 1 . 2]" 1
481 1 35 PHE QD 1 62 THR MG 4.430 . 7.060 2.132 1.783 3.518 0.017 15 0 "[ . 1 . 2]" 1
482 1 35 PHE QE 1 62 THR MG 5.470 . 9.150 4.113 3.719 5.267 . 0 0 "[ . 1 . 2]" 1
483 1 36 ASP H 1 36 ASP HB2 2.530 . 3.260 2.410 2.313 2.501 . 0 0 "[ . 1 . 2]" 1
484 1 36 ASP H 1 36 ASP QB 2.410 . 3.030 2.224 2.196 2.253 . 0 0 "[ . 1 . 2]" 1
485 1 36 ASP H 1 36 ASP HB3 2.530 . 3.260 2.625 2.516 2.755 . 0 0 "[ . 1 . 2]" 1
486 1 36 ASP H 1 37 ALA H 2.460 . 3.120 2.742 2.611 2.845 . 0 0 "[ . 1 . 2]" 1
487 1 36 ASP H 1 37 ALA MB 3.670 . 5.540 4.444 4.313 4.551 . 0 0 "[ . 1 . 2]" 1
488 1 36 ASP H 1 38 ALA H 3.200 . 4.600 3.923 3.735 4.097 . 0 0 "[ . 1 . 2]" 1
489 1 36 ASP H 1 62 THR MG 4.410 . 7.020 4.711 4.287 5.062 . 0 0 "[ . 1 . 2]" 1
490 1 36 ASP HA 1 39 LEU H 3.000 . 4.200 3.799 3.646 4.056 . 0 0 "[ . 1 . 2]" 1
491 1 36 ASP HB2 1 37 ALA H 2.710 . 3.620 3.722 3.675 3.761 0.141 14 0 "[ . 1 . 2]" 1
492 1 36 ASP HB3 1 37 ALA H 2.710 . 3.620 2.461 2.337 2.637 . 0 0 "[ . 1 . 2]" 1
493 1 37 ALA H 1 38 ALA H 2.480 . 3.160 2.450 2.399 2.539 . 0 0 "[ . 1 . 2]" 1
494 1 37 ALA H 1 38 ALA MB 4.100 . 6.410 4.140 4.076 4.235 . 0 0 "[ . 1 . 2]" 1
495 1 37 ALA H 1 39 LEU H 2.940 . 4.090 4.172 4.119 4.224 0.134 15 0 "[ . 1 . 2]" 1
496 1 37 ALA MB 1 38 ALA HA 4.010 . 6.230 3.864 3.783 3.923 . 0 0 "[ . 1 . 2]" 1
497 1 37 ALA MB 1 38 ALA MB 4.920 . 8.040 3.842 3.658 3.916 . 0 0 "[ . 1 . 2]" 1
498 1 38 ALA H 1 39 LEU H 2.640 . 3.480 2.579 2.535 2.640 . 0 0 "[ . 1 . 2]" 1
499 1 38 ALA H 1 62 THR MG 4.410 . 7.020 4.190 3.797 5.040 . 0 0 "[ . 1 . 2]" 1
500 1 38 ALA MB 1 42 LEU H 4.410 . 7.020 4.178 4.057 4.349 . 0 0 "[ . 1 . 2]" 1
501 1 38 ALA MB 1 42 LEU MD1 4.920 . 8.040 2.901 2.044 4.576 . 0 0 "[ . 1 . 2]" 1
502 1 38 ALA MB 1 42 LEU QD 4.550 . 7.310 2.564 2.013 3.763 . 0 0 "[ . 1 . 2]" 1
503 1 38 ALA MB 1 42 LEU MD2 4.920 . 8.040 3.468 2.016 4.024 . 0 0 "[ . 1 . 2]" 1
504 1 38 ALA MB 1 62 THR MG 4.160 . 6.530 2.369 1.800 3.308 . 0 0 "[ . 1 . 2]" 1
505 1 39 LEU H 1 39 LEU HB2 2.580 . 3.370 2.333 2.129 2.575 . 0 0 "[ . 1 . 2]" 1
506 1 39 LEU H 1 39 LEU HB3 2.660 . 3.520 3.463 2.889 3.595 0.075 13 0 "[ . 1 . 2]" 1
507 1 39 LEU H 1 39 LEU MD1 3.400 . 5.000 3.362 2.217 4.093 . 0 0 "[ . 1 . 2]" 1
508 1 39 LEU H 1 39 LEU MD2 3.470 . 5.150 3.703 3.038 4.328 . 0 0 "[ . 1 . 2]" 1
509 1 39 LEU H 1 39 LEU HG 2.930 . 4.060 3.025 2.096 4.143 0.083 9 0 "[ . 1 . 2]" 1
510 1 39 LEU H 1 40 PRO QD 3.260 . 4.730 2.360 2.274 2.474 . 0 0 "[ . 1 . 2]" 1
511 1 39 LEU H 1 62 THR MG 3.360 . 4.930 3.438 2.643 4.389 . 0 0 "[ . 1 . 2]" 1
512 1 39 LEU HA 1 39 LEU MD1 3.060 . 4.320 3.478 2.344 3.842 . 0 0 "[ . 1 . 2]" 1
513 1 39 LEU HA 1 39 LEU MD2 3.520 . 5.250 2.498 1.895 3.767 . 0 0 "[ . 1 . 2]" 1
514 1 39 LEU HA 1 39 LEU HG 2.930 . 4.060 2.728 2.326 3.151 . 0 0 "[ . 1 . 2]" 1
515 1 39 LEU HA 1 62 THR MG 3.330 . 4.860 3.212 1.885 4.283 . 0 0 "[ . 1 . 2]" 1
516 1 39 LEU HB2 1 40 PRO HD2 3.230 . 4.670 2.837 2.583 3.566 . 0 0 "[ . 1 . 2]" 1
517 1 39 LEU HB2 1 40 PRO QD 3.120 . 4.440 2.190 1.784 3.020 0.016 2 0 "[ . 1 . 2]" 1
518 1 39 LEU HB2 1 40 PRO HD3 3.230 . 4.670 2.306 1.792 3.381 . 0 0 "[ . 1 . 2]" 1
519 1 39 LEU HB2 1 62 THR MG 4.150 . 6.510 4.257 2.307 5.425 . 0 0 "[ . 1 . 2]" 1
520 1 39 LEU HB3 1 40 PRO HD2 3.210 . 4.630 3.685 2.762 4.310 . 0 0 "[ . 1 . 2]" 1
521 1 39 LEU HB3 1 40 PRO QD 3.080 . 4.360 2.762 1.856 3.184 . 0 0 "[ . 1 . 2]" 1
522 1 39 LEU HB3 1 40 PRO HD3 3.210 . 4.630 2.861 1.879 3.366 . 0 0 "[ . 1 . 2]" 1
523 1 39 LEU HB3 1 62 THR MG 4.410 . 7.020 4.666 3.568 5.555 . 0 0 "[ . 1 . 2]" 1
524 1 39 LEU MD1 1 40 PRO HD2 4.410 . 7.020 4.434 3.972 5.086 . 0 0 "[ . 1 . 2]" 1
525 1 39 LEU MD1 1 40 PRO QD 4.350 . 6.910 3.635 3.486 3.841 . 0 0 "[ . 1 . 2]" 1
526 1 39 LEU MD1 1 40 PRO HD3 4.410 . 7.020 3.913 3.649 4.404 . 0 0 "[ . 1 . 2]" 1
527 1 39 LEU MD1 1 43 ARG QD 4.850 . 7.900 5.800 4.216 7.406 . 0 0 "[ . 1 . 2]" 1
528 1 39 LEU MD1 1 62 THR MG 4.540 . 7.280 3.016 1.863 4.616 . 0 0 "[ . 1 . 2]" 1
529 1 39 LEU MD1 1 63 LEU H 4.170 . 6.550 5.025 4.135 5.989 . 0 0 "[ . 1 . 2]" 1
530 1 39 LEU MD2 1 40 PRO HD2 4.410 . 7.020 4.752 4.292 5.336 . 0 0 "[ . 1 . 2]" 1
531 1 39 LEU MD2 1 40 PRO QD 4.320 . 6.840 4.007 3.248 4.275 . 0 0 "[ . 1 . 2]" 1
532 1 39 LEU MD2 1 40 PRO HD3 4.410 . 7.020 4.356 3.362 4.837 . 0 0 "[ . 1 . 2]" 1
533 1 39 LEU MD2 1 43 ARG QD 4.850 . 7.900 4.765 3.022 7.253 . 0 0 "[ . 1 . 2]" 1
534 1 39 LEU MD2 1 62 THR MG 4.650 . 7.500 2.891 1.829 4.037 . 0 0 "[ . 1 . 2]" 1
535 1 39 LEU MD2 1 63 LEU H 4.410 . 7.020 4.536 2.855 6.778 . 0 0 "[ . 1 . 2]" 1
536 1 39 LEU MD2 1 63 LEU MD1 4.920 . 8.040 3.719 2.293 4.990 . 0 0 "[ . 1 . 2]" 1
537 1 39 LEU HG 1 40 PRO HD2 3.650 . 5.500 4.718 3.998 5.365 . 0 0 "[ . 1 . 2]" 1
538 1 39 LEU HG 1 40 PRO QD 3.470 . 5.140 4.137 3.574 4.597 . 0 0 "[ . 1 . 2]" 1
539 1 39 LEU HG 1 40 PRO HD3 3.650 . 5.500 4.610 4.026 5.070 . 0 0 "[ . 1 . 2]" 1
540 1 39 LEU HG 1 62 THR MG 3.310 . 4.820 2.892 1.795 3.885 0.005 2 0 "[ . 1 . 2]" 1
541 1 40 PRO HA 1 44 ALA H 3.090 . 4.380 4.088 3.795 4.415 0.035 15 0 "[ . 1 . 2]" 1
542 1 40 PRO QB 1 41 HIS H 2.870 . 3.950 3.107 2.639 3.312 . 0 0 "[ . 1 . 2]" 1
543 1 40 PRO HB2 1 41 HIS H 3.050 . 4.310 3.217 2.679 3.474 . 0 0 "[ . 1 . 2]" 1
544 1 40 PRO HB3 1 41 HIS H 3.050 . 4.310 4.127 3.975 4.185 . 0 0 "[ . 1 . 2]" 1
545 1 40 PRO QD 1 41 HIS H 2.920 . 4.050 2.734 2.203 3.006 . 0 0 "[ . 1 . 2]" 1
546 1 40 PRO QD 1 62 THR MG 4.850 . 7.910 4.988 4.112 5.872 . 0 0 "[ . 1 . 2]" 1
547 1 40 PRO HD2 1 41 HIS H 3.000 . 4.200 2.793 2.222 3.091 . 0 0 "[ . 1 . 2]" 1
548 1 40 PRO HD3 1 41 HIS H 3.000 . 4.200 3.924 3.630 4.100 . 0 0 "[ . 1 . 2]" 1
549 1 40 PRO QG 1 41 HIS H 2.820 . 3.850 2.472 2.312 3.500 . 0 0 "[ . 1 . 2]" 1
550 1 40 PRO HG2 1 41 HIS H 2.960 . 4.130 2.503 2.329 3.708 . 0 0 "[ . 1 . 2]" 1
551 1 40 PRO HG3 1 41 HIS H 2.960 . 4.130 3.969 3.864 4.295 0.165 2 0 "[ . 1 . 2]" 1
552 1 41 HIS H 1 41 HIS HB2 2.800 . 3.800 2.349 2.169 2.480 . 0 0 "[ . 1 . 2]" 1
553 1 41 HIS H 1 41 HIS QB 2.670 . 3.540 2.280 2.124 2.413 . 0 0 "[ . 1 . 2]" 1
554 1 41 HIS H 1 41 HIS HB3 2.800 . 3.800 3.269 2.595 3.612 . 0 0 "[ . 1 . 2]" 1
555 1 41 HIS H 1 42 LEU H 2.620 . 3.440 2.560 2.514 2.648 . 0 0 "[ . 1 . 2]" 1
556 1 41 HIS H 1 42 LEU QD 4.890 . 7.990 4.681 3.893 5.560 . 0 0 "[ . 1 . 2]" 1
557 1 41 HIS H 1 44 ALA MB 3.690 . 5.580 4.779 4.562 5.003 . 0 0 "[ . 1 . 2]" 1
558 1 41 HIS HA 1 44 ALA H 3.200 . 4.600 3.542 3.228 3.824 . 0 0 "[ . 1 . 2]" 1
559 1 41 HIS HA 1 44 ALA MB 3.880 . 5.970 2.792 2.462 3.043 . 0 0 "[ . 1 . 2]" 1
560 1 42 LEU H 1 42 LEU QB 2.830 . 3.860 2.290 2.127 2.442 . 0 0 "[ . 1 . 2]" 1
561 1 42 LEU H 1 42 LEU MD1 3.810 . 5.830 3.439 2.295 4.107 . 0 0 "[ . 1 . 2]" 1
562 1 42 LEU H 1 42 LEU QD 3.560 . 5.330 3.040 2.281 3.714 . 0 0 "[ . 1 . 2]" 1
563 1 42 LEU H 1 42 LEU MD2 3.810 . 5.830 3.706 2.554 4.256 . 0 0 "[ . 1 . 2]" 1
564 1 42 LEU H 1 42 LEU HG 3.250 . 4.700 3.339 2.366 4.498 . 0 0 "[ . 1 . 2]" 1
565 1 42 LEU H 1 43 ARG H 2.620 . 3.440 2.585 2.516 2.667 . 0 0 "[ . 1 . 2]" 1
566 1 42 LEU HA 1 42 LEU MD1 3.270 . 4.750 3.045 1.937 3.858 . 0 0 "[ . 1 . 2]" 1
567 1 42 LEU HA 1 42 LEU QD 3.100 . 4.400 2.095 1.852 2.541 . 0 0 "[ . 1 . 2]" 1
568 1 42 LEU HA 1 42 LEU MD2 3.270 . 4.750 2.821 1.939 3.879 . 0 0 "[ . 1 . 2]" 1
569 1 42 LEU HA 1 45 ALA H 2.730 . 3.660 3.383 3.144 3.571 . 0 0 "[ . 1 . 2]" 1
570 1 42 LEU HA 1 45 ALA MB 3.430 . 5.070 2.812 2.466 3.313 . 0 0 "[ . 1 . 2]" 1
571 1 42 LEU QD 1 45 ALA MB 5.690 . 9.590 3.422 2.591 4.406 . 0 0 "[ . 1 . 2]" 1
572 1 42 LEU QD 1 55 ALA HA 4.930 . 8.060 3.472 2.499 4.188 . 0 0 "[ . 1 . 2]" 1
573 1 42 LEU QD 1 58 TRP QB 4.500 . 7.200 2.580 2.079 3.180 . 0 0 "[ . 1 . 2]" 1
574 1 42 LEU QD 1 58 TRP HE3 4.980 . 8.170 4.150 3.135 5.386 . 0 0 "[ . 1 . 2]" 1
575 1 42 LEU QD 1 62 THR H 4.230 . 6.660 4.653 4.017 5.161 . 0 0 "[ . 1 . 2]" 1
576 1 42 LEU QD 1 62 THR HB 4.410 . 7.020 3.806 3.015 4.663 . 0 0 "[ . 1 . 2]" 1
577 1 42 LEU QD 1 62 THR MG 5.120 . 8.440 3.053 2.416 4.528 . 0 0 "[ . 1 . 2]" 1
578 1 42 LEU MD1 1 55 ALA MB 4.830 . 7.860 3.858 2.104 5.063 . 0 0 "[ . 1 . 2]" 1
579 1 42 LEU MD1 1 58 TRP HB2 5.390 . 8.990 3.950 3.081 5.448 . 0 0 "[ . 1 . 2]" 1
580 1 42 LEU MD1 1 58 TRP HB3 5.390 . 8.990 3.491 2.318 4.650 . 0 0 "[ . 1 . 2]" 1
581 1 42 LEU MD2 1 55 ALA MB 4.830 . 7.860 3.447 2.669 4.878 . 0 0 "[ . 1 . 2]" 1
582 1 42 LEU MD2 1 58 TRP HB2 5.390 . 8.990 3.665 2.526 4.880 . 0 0 "[ . 1 . 2]" 1
583 1 42 LEU MD2 1 58 TRP HB3 5.390 . 8.990 3.366 2.121 4.937 . 0 0 "[ . 1 . 2]" 1
584 1 43 ARG H 1 43 ARG HB2 2.580 . 3.370 2.443 2.253 2.621 . 0 0 "[ . 1 . 2]" 1
585 1 43 ARG H 1 43 ARG QB 2.450 . 3.110 2.264 2.167 2.356 . 0 0 "[ . 1 . 2]" 1
586 1 43 ARG H 1 43 ARG HB3 2.580 . 3.370 2.846 2.500 3.553 0.183 11 0 "[ . 1 . 2]" 1
587 1 43 ARG H 1 44 ALA H 2.620 . 3.440 2.655 2.568 2.741 . 0 0 "[ . 1 . 2]" 1
588 1 43 ARG H 1 44 ALA MB 4.410 . 7.020 4.328 4.240 4.401 . 0 0 "[ . 1 . 2]" 1
589 1 43 ARG H 1 45 ALA H 3.200 . 4.600 4.145 4.002 4.401 . 0 0 "[ . 1 . 2]" 1
590 1 43 ARG HA 1 45 ALA MB 4.410 . 7.020 4.797 4.526 5.063 . 0 0 "[ . 1 . 2]" 1
591 1 43 ARG HA 1 46 LEU H 3.290 . 4.780 3.376 3.041 3.720 . 0 0 "[ . 1 . 2]" 1
592 1 43 ARG HA 1 46 LEU HB2 3.120 . 4.450 2.685 2.192 3.063 . 0 0 "[ . 1 . 2]" 1
593 1 43 ARG HA 1 46 LEU HB3 3.340 . 4.880 4.311 3.749 4.718 . 0 0 "[ . 1 . 2]" 1
594 1 43 ARG HA 1 46 LEU MD1 4.370 . 6.950 2.800 1.990 3.452 . 0 0 "[ . 1 . 2]" 1
595 1 43 ARG QB 1 44 ALA H 2.900 . 4.000 2.646 2.465 2.825 . 0 0 "[ . 1 . 2]" 1
596 1 43 ARG QD 1 44 ALA H 4.340 . 6.880 4.763 4.163 5.176 . 0 0 "[ . 1 . 2]" 1
597 1 44 ALA H 1 45 ALA H 2.670 . 3.550 2.667 2.557 2.791 . 0 0 "[ . 1 . 2]" 1
598 1 44 ALA H 1 45 ALA MB 3.780 . 5.760 4.353 4.265 4.488 . 0 0 "[ . 1 . 2]" 1
599 1 44 ALA HA 1 47 ASP H 2.780 . 3.770 3.449 3.165 3.780 0.010 15 0 "[ . 1 . 2]" 1
600 1 44 ALA HA 1 47 ASP HB2 2.690 . 3.590 2.901 2.454 3.339 . 0 0 "[ . 1 . 2]" 1
601 1 44 ALA HA 1 47 ASP HB3 2.690 . 3.590 3.094 2.321 3.501 . 0 0 "[ . 1 . 2]" 1
602 1 44 ALA MB 1 45 ALA MB 3.750 . 5.700 3.760 3.644 3.887 . 0 0 "[ . 1 . 2]" 1
603 1 44 ALA MB 1 46 LEU H 4.140 . 6.480 4.601 4.450 4.734 . 0 0 "[ . 1 . 2]" 1
604 1 44 ALA MB 1 47 ASP QB 4.380 . 6.960 3.816 3.344 4.281 . 0 0 "[ . 1 . 2]" 1
605 1 45 ALA H 1 46 LEU H 2.660 . 3.520 2.622 2.508 2.760 . 0 0 "[ . 1 . 2]" 1
606 1 45 ALA HA 1 48 PHE H 3.020 . 4.240 3.615 3.270 4.143 . 0 0 "[ . 1 . 2]" 1
607 1 45 ALA HA 1 48 PHE QD 4.010 . 6.220 2.980 1.842 5.093 . 0 0 "[ . 1 . 2]" 1
608 1 45 ALA MB 1 46 LEU MD1 4.920 . 8.040 4.516 4.260 4.657 . 0 0 "[ . 1 . 2]" 1
609 1 45 ALA MB 1 46 LEU MD2 4.920 . 8.040 3.736 3.419 4.084 . 0 0 "[ . 1 . 2]" 1
610 1 45 ALA MB 1 46 LEU HG 3.970 . 6.150 3.323 2.988 3.517 . 0 0 "[ . 1 . 2]" 1
611 1 45 ALA MB 1 48 PHE QB 4.630 . 7.470 4.402 3.877 4.899 . 0 0 "[ . 1 . 2]" 1
612 1 45 ALA MB 1 48 PHE QD 4.720 . 7.640 4.414 3.457 5.563 . 0 0 "[ . 1 . 2]" 1
613 1 46 LEU H 1 46 LEU HB2 2.660 . 3.520 2.396 2.274 2.474 . 0 0 "[ . 1 . 2]" 1
614 1 46 LEU H 1 46 LEU HB3 2.710 . 3.620 3.578 3.545 3.597 . 0 0 "[ . 1 . 2]" 1
615 1 46 LEU H 1 46 LEU MD1 3.630 . 5.470 3.667 3.582 3.722 . 0 0 "[ . 1 . 2]" 1
616 1 46 LEU H 1 46 LEU MD2 3.740 . 5.690 3.465 3.302 3.740 . 0 0 "[ . 1 . 2]" 1
617 1 46 LEU H 1 46 LEU HG 2.910 . 4.020 2.462 2.285 2.724 . 0 0 "[ . 1 . 2]" 1
618 1 46 LEU H 1 47 ASP H 2.580 . 3.370 2.587 2.504 2.686 . 0 0 "[ . 1 . 2]" 1
619 1 46 LEU H 1 55 ALA MB 3.510 . 5.220 4.717 4.203 5.118 . 0 0 "[ . 1 . 2]" 1
620 1 46 LEU HA 1 46 LEU MD1 4.340 . 6.880 3.831 3.807 3.861 . 0 0 "[ . 1 . 2]" 1
621 1 46 LEU HA 1 46 LEU MD2 3.380 . 4.970 1.938 1.876 2.010 . 0 0 "[ . 1 . 2]" 1
622 1 46 LEU HA 1 48 PHE H 2.980 . 4.160 4.133 3.873 4.242 0.082 20 0 "[ . 1 . 2]" 1
623 1 46 LEU HA 1 49 ASP H 2.660 . 3.520 3.183 3.009 3.382 . 0 0 "[ . 1 . 2]" 1
624 1 46 LEU HB3 1 47 ASP H 3.110 . 4.420 3.826 3.605 3.911 . 0 0 "[ . 1 . 2]" 1
625 1 46 LEU HB3 1 55 ALA MB 4.030 . 6.260 4.876 4.591 5.327 . 0 0 "[ . 1 . 2]" 1
626 1 46 LEU MD1 1 47 ASP H 4.350 . 6.910 4.841 4.770 4.917 . 0 0 "[ . 1 . 2]" 1
627 1 46 LEU MD1 1 55 ALA H 4.410 . 7.020 5.526 4.609 6.742 . 0 0 "[ . 1 . 2]" 1
628 1 46 LEU MD1 1 55 ALA MB 4.250 . 6.710 2.839 2.053 3.804 . 0 0 "[ . 1 . 2]" 1
629 1 46 LEU MD1 1 56 TRP H 4.410 . 7.020 4.670 3.913 5.638 . 0 0 "[ . 1 . 2]" 1
630 1 46 LEU MD1 1 59 LEU MD1 4.920 . 8.040 3.156 1.855 4.704 . 0 0 "[ . 1 . 2]" 1
631 1 46 LEU MD1 1 59 LEU MD2 4.180 . 6.560 2.719 1.845 4.577 . 0 0 "[ . 1 . 2]" 1
632 1 46 LEU MD2 1 47 ASP H 4.410 . 7.020 4.702 4.636 4.736 . 0 0 "[ . 1 . 2]" 1
633 1 46 LEU MD2 1 49 ASP H 4.170 . 6.550 4.507 4.299 4.775 . 0 0 "[ . 1 . 2]" 1
634 1 46 LEU MD2 1 50 PRO HA 3.760 . 5.720 2.481 1.993 4.689 . 0 0 "[ . 1 . 2]" 1
635 1 46 LEU MD2 1 50 PRO HB2 4.410 . 7.020 4.458 3.722 6.520 . 0 0 "[ . 1 . 2]" 1
636 1 46 LEU MD2 1 50 PRO HB3 4.410 . 7.020 4.067 3.339 6.545 . 0 0 "[ . 1 . 2]" 1
637 1 46 LEU MD2 1 52 TYR H 3.880 . 5.970 3.271 2.589 3.889 . 0 0 "[ . 1 . 2]" 1
638 1 46 LEU MD2 1 52 TYR HB2 4.410 . 7.020 3.547 2.864 4.524 . 0 0 "[ . 1 . 2]" 1
639 1 46 LEU MD2 1 52 TYR HB3 4.410 . 7.020 2.920 2.165 4.127 . 0 0 "[ . 1 . 2]" 1
640 1 46 LEU MD2 1 52 TYR QD 4.820 . 7.850 4.085 3.545 4.792 . 0 0 "[ . 1 . 2]" 1
641 1 46 LEU MD2 1 55 ALA H 4.150 . 6.510 4.123 3.755 4.776 . 0 0 "[ . 1 . 2]" 1
642 1 46 LEU MD2 1 55 ALA MB 4.430 . 7.070 1.899 1.760 2.251 0.030 6 0 "[ . 1 . 2]" 1
643 1 46 LEU MD2 1 56 TRP H 3.940 . 6.080 3.916 3.068 4.252 . 0 0 "[ . 1 . 2]" 1
644 1 46 LEU MD2 1 56 TRP HD1 4.410 . 7.020 2.768 1.900 3.398 . 0 0 "[ . 1 . 2]" 1
645 1 46 LEU MD2 1 56 TRP HE1 2.620 . 3.450 2.951 2.389 3.348 . 0 0 "[ . 1 . 2]" 1
646 1 46 LEU MD2 1 56 TRP HZ2 4.410 . 7.020 5.113 3.600 5.670 . 0 0 "[ . 1 . 2]" 1
647 1 46 LEU MD2 1 59 LEU MD2 4.920 . 8.040 4.485 2.983 6.516 . 0 0 "[ . 1 . 2]" 1
648 1 46 LEU HG 1 47 ASP H 3.720 . 5.640 4.590 4.461 4.745 . 0 0 "[ . 1 . 2]" 1
649 1 46 LEU HG 1 55 ALA MB 3.560 . 5.330 3.019 2.332 3.723 . 0 0 "[ . 1 . 2]" 1
650 1 47 ASP H 1 47 ASP HB2 2.510 . 3.230 2.413 2.254 2.521 . 0 0 "[ . 1 . 2]" 1
651 1 47 ASP H 1 47 ASP HB3 2.510 . 3.230 2.652 2.492 2.866 . 0 0 "[ . 1 . 2]" 1
652 1 47 ASP H 1 48 PHE H 2.460 . 3.120 2.620 2.486 2.761 . 0 0 "[ . 1 . 2]" 1
653 1 47 ASP HB2 1 48 PHE H 2.750 . 3.700 3.770 3.638 3.832 0.132 8 0 "[ . 1 . 2]" 1
654 1 47 ASP HB3 1 48 PHE H 2.750 . 3.700 2.613 2.463 2.852 . 0 0 "[ . 1 . 2]" 1
655 1 48 PHE H 1 49 ASP H 2.510 . 3.230 2.492 2.378 2.622 . 0 0 "[ . 1 . 2]" 1
656 1 48 PHE QB 1 49 ASP H 3.130 . 4.470 2.584 2.493 2.697 . 0 0 "[ . 1 . 2]" 1
657 1 48 PHE QD 1 49 ASP H 4.260 . 6.720 4.192 3.546 4.361 . 0 0 "[ . 1 . 2]" 1
658 1 49 ASP H 1 49 ASP HB2 2.730 . 3.660 3.159 2.970 3.766 0.106 1 0 "[ . 1 . 2]" 1
659 1 49 ASP H 1 49 ASP QB 2.650 . 3.500 2.736 2.518 3.229 . 0 0 "[ . 1 . 2]" 1
660 1 49 ASP H 1 49 ASP HB3 2.730 . 3.660 3.002 2.720 3.514 . 0 0 "[ . 1 . 2]" 1
661 1 49 ASP H 1 50 PRO QD 3.960 . 6.130 3.397 3.255 4.293 . 0 0 "[ . 1 . 2]" 1
662 1 49 ASP HA 1 50 PRO HG2 3.380 . 4.960 4.310 4.093 4.575 . 0 0 "[ . 1 . 2]" 1
663 1 49 ASP HA 1 50 PRO QG 3.280 . 4.770 3.856 3.562 3.977 . 0 0 "[ . 1 . 2]" 1
664 1 49 ASP HA 1 50 PRO HG3 3.380 . 4.960 4.379 3.767 4.545 . 0 0 "[ . 1 . 2]" 1
665 1 50 PRO QB 1 51 THR MG 4.200 . 6.610 4.371 2.494 5.352 . 0 0 "[ . 1 . 2]" 1
666 1 50 PRO HB2 1 51 THR MG 4.410 . 7.020 4.545 2.516 5.612 . 0 0 "[ . 1 . 2]" 1
667 1 50 PRO HB3 1 51 THR MG 4.410 . 7.020 5.754 4.105 6.753 . 0 0 "[ . 1 . 2]" 1
668 1 50 PRO QD 1 51 THR H 3.340 . 4.880 2.767 2.290 2.990 . 0 0 "[ . 1 . 2]" 1
669 1 50 PRO QD 1 51 THR MG 4.850 . 7.910 4.158 2.830 5.472 . 0 0 "[ . 1 . 2]" 1
670 1 50 PRO QG 1 51 THR MG 4.050 . 6.300 4.156 2.626 5.713 . 0 0 "[ . 1 . 2]" 1
671 1 50 PRO HG2 1 51 THR MG 4.230 . 6.660 4.318 2.652 6.253 . 0 0 "[ . 1 . 2]" 1
672 1 50 PRO HG3 1 51 THR MG 4.230 . 6.660 5.602 4.235 6.701 0.041 16 0 "[ . 1 . 2]" 1
673 1 51 THR H 1 51 THR HB 2.760 . 3.730 3.149 2.415 3.602 . 0 0 "[ . 1 . 2]" 1
674 1 51 THR H 1 51 THR MG 3.180 . 4.570 3.111 1.995 3.841 . 0 0 "[ . 1 . 2]" 1
675 1 51 THR H 1 52 TYR H 2.530 . 3.260 2.678 2.377 3.283 0.023 5 0 "[ . 1 . 2]" 1
676 1 51 THR H 1 52 TYR QB 3.440 . 5.080 4.130 3.882 4.433 . 0 0 "[ . 1 . 2]" 1
677 1 51 THR HB 1 52 TYR H 3.140 . 4.490 4.059 3.282 4.533 0.043 7 0 "[ . 1 . 2]" 1
678 1 51 THR MG 1 52 TYR H 4.140 . 6.480 4.182 2.925 4.477 . 0 0 "[ . 1 . 2]" 1
679 1 51 THR MG 1 82 ALA MB 4.860 . 7.930 5.467 4.036 6.761 . 0 0 "[ . 1 . 2]" 1
680 1 51 THR MG 1 86 ARG QD 4.850 . 7.900 3.529 1.998 5.356 . 0 0 "[ . 1 . 2]" 1
681 1 51 THR MG 1 86 ARG QG 4.850 . 7.900 3.698 2.476 5.050 . 0 0 "[ . 1 . 2]" 1
682 1 52 TYR H 1 52 TYR HB2 2.570 . 3.340 2.438 2.230 2.858 . 0 0 "[ . 1 . 2]" 1
683 1 52 TYR H 1 52 TYR QB 2.440 . 3.090 2.287 2.202 2.571 . 0 0 "[ . 1 . 2]" 1
684 1 52 TYR H 1 52 TYR HB3 2.570 . 3.340 2.837 2.614 3.507 0.167 19 0 "[ . 1 . 2]" 1
685 1 52 TYR H 1 53 SER H 3.070 . 4.340 4.118 3.812 4.348 0.008 5 0 "[ . 1 . 2]" 1
686 1 52 TYR H 1 55 ALA MB 4.330 . 6.870 4.200 3.478 4.644 . 0 0 "[ . 1 . 2]" 1
687 1 52 TYR H 1 56 TRP HE1 3.900 . 6.000 3.317 2.559 3.948 . 0 0 "[ . 1 . 2]" 1
688 1 52 TYR HA 1 53 SER H 2.460 . 3.120 2.177 2.122 2.287 . 0 0 "[ . 1 . 2]" 1
689 1 52 TYR QB 1 55 ALA MB 4.040 . 6.280 2.359 2.073 2.779 . 0 0 "[ . 1 . 2]" 1
690 1 52 TYR QD 1 53 SER H 4.550 . 7.300 4.149 3.420 4.606 . 0 0 "[ . 1 . 2]" 1
691 1 52 TYR QD 1 54 VAL H 4.960 . 8.130 3.406 2.869 4.234 . 0 0 "[ . 1 . 2]" 1
692 1 52 TYR QD 1 54 VAL MG1 4.660 . 7.530 4.022 3.668 4.751 . 0 0 "[ . 1 . 2]" 1
693 1 52 TYR QD 1 54 VAL MG2 4.320 . 6.840 3.792 3.434 4.093 . 0 0 "[ . 1 . 2]" 1
694 1 52 TYR QD 1 55 ALA H 4.260 . 6.720 2.221 1.769 4.438 0.031 9 0 "[ . 1 . 2]" 1
695 1 52 TYR QD 1 55 ALA MB 3.850 . 5.910 2.211 1.774 4.188 0.016 4 0 "[ . 1 . 2]" 1
696 1 52 TYR QE 1 54 VAL HB 4.680 . 7.560 2.335 1.768 5.638 0.032 6 0 "[ . 1 . 2]" 1
697 1 52 TYR QE 1 54 VAL MG1 4.450 . 7.100 3.202 2.759 6.118 . 0 0 "[ . 1 . 2]" 1
698 1 52 TYR QE 1 54 VAL MG2 4.160 . 6.520 3.205 2.725 5.023 . 0 0 "[ . 1 . 2]" 1
699 1 52 TYR QE 1 55 ALA MB 4.340 . 6.880 3.856 2.844 5.799 . 0 0 "[ . 1 . 2]" 1
700 1 53 SER H 1 53 SER HB2 2.910 . 4.020 3.002 2.619 3.571 . 0 0 "[ . 1 . 2]" 1
701 1 53 SER H 1 53 SER QB 2.810 . 3.830 2.629 2.554 2.736 . 0 0 "[ . 1 . 2]" 1
702 1 53 SER H 1 53 SER HB3 2.910 . 4.020 3.233 2.631 3.553 . 0 0 "[ . 1 . 2]" 1
703 1 53 SER H 1 54 VAL H 2.930 . 4.060 2.858 2.698 2.969 . 0 0 "[ . 1 . 2]" 1
704 1 53 SER H 1 56 TRP HD1 3.900 . 6.000 6.048 4.796 6.169 0.169 1 0 "[ . 1 . 2]" 1
705 1 53 SER H 1 82 ALA MB 4.410 . 7.020 6.405 3.243 7.055 0.035 15 0 "[ . 1 . 2]" 1
706 1 53 SER HA 1 56 TRP HD1 3.180 . 4.560 4.428 4.176 4.625 0.065 6 0 "[ . 1 . 2]" 1
707 1 53 SER QB 1 54 VAL H 3.110 . 4.430 2.864 2.521 3.469 . 0 0 "[ . 1 . 2]" 1
708 1 53 SER QB 1 82 ALA MB 4.360 . 6.930 5.373 3.443 6.037 . 0 0 "[ . 1 . 2]" 1
709 1 53 SER QB 1 83 ALA H 4.320 . 6.840 6.042 3.750 6.595 . 0 0 "[ . 1 . 2]" 1
710 1 53 SER QB 1 83 ALA HA 4.090 . 6.380 4.408 1.837 5.117 . 0 0 "[ . 1 . 2]" 1
711 1 53 SER QB 1 83 ALA MB 4.020 . 6.240 4.070 2.869 4.855 . 0 0 "[ . 1 . 2]" 1
712 1 53 SER QB 1 91 VAL MG1 3.680 . 5.560 2.826 2.059 3.420 . 0 0 "[ . 1 . 2]" 1
713 1 53 SER HB2 1 54 VAL H 3.430 . 5.060 2.963 2.558 3.736 . 0 0 "[ . 1 . 2]" 1
714 1 53 SER HB2 1 91 VAL MG1 3.900 . 6.010 3.701 2.077 4.850 . 0 0 "[ . 1 . 2]" 1
715 1 53 SER HB3 1 54 VAL H 3.430 . 5.060 3.939 3.760 4.200 . 0 0 "[ . 1 . 2]" 1
716 1 53 SER HB3 1 91 VAL MG1 3.900 . 6.010 3.255 2.230 4.252 . 0 0 "[ . 1 . 2]" 1
717 1 54 VAL H 1 54 VAL HB 2.570 . 3.340 2.604 2.513 2.699 . 0 0 "[ . 1 . 2]" 1
718 1 54 VAL H 1 54 VAL MG1 3.200 . 4.610 3.770 3.744 3.783 . 0 0 "[ . 1 . 2]" 1
719 1 54 VAL H 1 54 VAL MG2 3.000 . 4.210 1.964 1.845 2.125 . 0 0 "[ . 1 . 2]" 1
720 1 54 VAL H 1 55 ALA H 2.580 . 3.370 2.675 2.618 2.728 . 0 0 "[ . 1 . 2]" 1
721 1 54 VAL H 1 91 VAL MG1 4.260 . 6.730 5.221 4.290 5.722 . 0 0 "[ . 1 . 2]" 1
722 1 54 VAL HA 1 91 VAL MG2 3.710 . 5.620 4.208 3.682 5.074 . 0 0 "[ . 1 . 2]" 1
723 1 54 VAL HB 1 55 ALA H 2.670 . 3.550 2.768 2.697 2.832 . 0 0 "[ . 1 . 2]" 1
724 1 54 VAL MG1 1 55 ALA H 3.400 . 5.000 3.639 3.497 3.756 . 0 0 "[ . 1 . 2]" 1
725 1 54 VAL MG1 1 57 LYS H 4.410 . 7.020 4.748 4.523 5.035 . 0 0 "[ . 1 . 2]" 1
726 1 54 VAL MG1 1 57 LYS QD 4.560 . 7.330 4.127 3.311 5.480 . 0 0 "[ . 1 . 2]" 1
727 1 54 VAL MG1 1 58 TRP H 3.810 . 5.830 4.150 3.862 4.402 . 0 0 "[ . 1 . 2]" 1
728 1 54 VAL MG1 1 58 TRP HD1 2.750 . 3.710 2.008 1.753 2.316 0.037 15 0 "[ . 1 . 2]" 1
729 1 54 VAL MG1 1 58 TRP HE1 2.810 . 3.820 2.603 1.976 3.051 . 0 0 "[ . 1 . 2]" 1
730 1 54 VAL MG2 1 55 ALA H 3.540 . 5.290 3.815 3.738 3.940 . 0 0 "[ . 1 . 2]" 1
731 1 54 VAL MG2 1 55 ALA MB 4.920 . 8.040 4.881 4.802 5.029 . 0 0 "[ . 1 . 2]" 1
732 1 54 VAL MG2 1 57 LYS H 4.410 . 7.020 5.548 5.295 5.837 . 0 0 "[ . 1 . 2]" 1
733 1 54 VAL MG2 1 57 LYS QD 4.810 . 7.830 5.010 3.866 6.363 . 0 0 "[ . 1 . 2]" 1
734 1 54 VAL MG2 1 58 TRP HD1 3.720 . 5.650 4.655 4.368 4.898 . 0 0 "[ . 1 . 2]" 1
735 1 54 VAL MG2 1 58 TRP HE1 3.430 . 5.070 4.915 4.573 5.156 0.086 10 0 "[ . 1 . 2]" 1
736 1 55 ALA H 1 56 TRP H 2.510 . 3.230 2.572 2.511 2.711 . 0 0 "[ . 1 . 2]" 1
737 1 55 ALA HA 1 58 TRP HB2 3.140 . 4.490 2.481 2.019 2.941 . 0 0 "[ . 1 . 2]" 1
738 1 55 ALA HA 1 58 TRP QB 3.040 . 4.280 2.459 2.007 2.905 . 0 0 "[ . 1 . 2]" 1
739 1 55 ALA HA 1 58 TRP HB3 3.140 . 4.490 4.040 3.419 4.522 0.032 5 0 "[ . 1 . 2]" 1
740 1 55 ALA HA 1 59 LEU H 2.930 . 4.060 3.971 3.659 4.125 0.065 8 0 "[ . 1 . 2]" 1
741 1 56 TRP H 1 56 TRP HB2 2.730 . 3.660 2.665 2.303 2.860 . 0 0 "[ . 1 . 2]" 1
742 1 56 TRP H 1 56 TRP HB3 2.730 . 3.660 3.607 3.561 3.627 . 0 0 "[ . 1 . 2]" 1
743 1 56 TRP H 1 56 TRP HD1 3.230 . 4.670 2.868 2.682 3.016 . 0 0 "[ . 1 . 2]" 1
744 1 56 TRP H 1 57 LYS H 2.730 . 3.660 2.672 2.527 2.813 . 0 0 "[ . 1 . 2]" 1
745 1 56 TRP HA 1 56 TRP HD1 3.410 . 5.030 2.556 2.360 3.997 . 0 0 "[ . 1 . 2]" 1
746 1 56 TRP QB 1 57 LYS H 2.650 . 3.500 2.396 2.312 2.747 . 0 0 "[ . 1 . 2]" 1
747 1 56 TRP QB 1 95 LEU MD1 4.290 . 6.780 2.886 2.368 3.479 . 0 0 "[ . 1 . 2]" 1
748 1 56 TRP HB2 1 57 LYS H 2.780 . 3.770 2.432 2.341 2.853 . 0 0 "[ . 1 . 2]" 1
749 1 56 TRP HB3 1 57 LYS H 2.780 . 3.770 3.635 3.526 3.785 0.015 1 0 "[ . 1 . 2]" 1
750 1 56 TRP HD1 1 82 ALA MB 3.240 . 4.680 4.552 2.372 4.748 0.068 20 0 "[ . 1 . 2]" 1
751 1 56 TRP HE1 1 82 ALA MB 3.040 . 4.280 4.033 3.579 4.286 0.006 20 0 "[ . 1 . 2]" 1
752 1 57 LYS H 1 57 LYS HB2 2.370 . 2.940 2.728 2.540 3.504 0.564 8 1 "[ . + 1 . 2]" 1
753 1 57 LYS H 1 57 LYS HB3 2.390 . 2.980 2.323 2.034 2.646 . 0 0 "[ . 1 . 2]" 1
754 1 57 LYS H 1 57 LYS QD 4.340 . 6.880 4.354 3.185 4.758 . 0 0 "[ . 1 . 2]" 1
755 1 57 LYS H 1 57 LYS HG2 3.470 . 5.140 4.175 1.847 4.462 . 0 0 "[ . 1 . 2]" 1
756 1 57 LYS H 1 57 LYS QG 3.080 . 4.370 3.808 1.839 3.970 . 0 0 "[ . 1 . 2]" 1
757 1 57 LYS H 1 57 LYS HG3 3.470 . 5.140 4.452 3.346 4.552 . 0 0 "[ . 1 . 2]" 1
758 1 57 LYS H 1 58 TRP H 2.820 . 3.840 2.654 2.589 2.733 . 0 0 "[ . 1 . 2]" 1
759 1 57 LYS H 1 95 LEU MD1 3.000 . 4.210 3.861 3.422 4.262 0.052 8 0 "[ . 1 . 2]" 1
760 1 57 LYS HA 1 57 LYS QD 3.800 . 5.800 4.069 3.749 4.324 . 0 0 "[ . 1 . 2]" 1
761 1 57 LYS HA 1 57 LYS QG 2.840 . 3.890 2.659 2.409 3.357 . 0 0 "[ . 1 . 2]" 1
762 1 57 LYS HA 1 95 LEU MD1 3.630 . 5.470 3.081 2.245 3.858 . 0 0 "[ . 1 . 2]" 1
763 1 57 LYS HB2 1 91 VAL MG2 3.720 . 5.650 4.600 3.849 5.675 0.025 8 0 "[ . 1 . 2]" 1
764 1 57 LYS HB2 1 95 LEU MD1 3.800 . 5.800 3.388 2.452 4.566 . 0 0 "[ . 1 . 2]" 1
765 1 57 LYS HB3 1 91 VAL MG2 3.960 . 6.120 5.006 4.377 6.130 0.010 14 0 "[ . 1 . 2]" 1
766 1 57 LYS HB3 1 95 LEU MD1 3.760 . 5.720 4.530 3.358 5.048 . 0 0 "[ . 1 . 2]" 1
767 1 57 LYS HB3 1 95 LEU MD2 4.100 . 6.410 3.550 1.854 3.837 . 0 0 "[ . 1 . 2]" 1
768 1 57 LYS HB3 1 95 LEU HG 3.250 . 4.700 4.736 3.288 4.855 0.155 4 0 "[ . 1 . 2]" 1
769 1 57 LYS QD 1 91 VAL MG2 3.770 . 5.740 4.296 2.667 5.820 0.080 2 0 "[ . 1 . 2]" 1
770 1 57 LYS QD 1 95 LEU MD1 4.600 . 7.400 4.708 3.528 5.519 . 0 0 "[ . 1 . 2]" 1
771 1 57 LYS QE 1 91 VAL MG2 4.850 . 7.900 5.065 2.914 7.152 . 0 0 "[ . 1 . 2]" 1
772 1 57 LYS QG 1 95 LEU MD1 4.540 . 7.290 4.295 3.589 5.229 . 0 0 "[ . 1 . 2]" 1
773 1 57 LYS QG 1 95 LEU MD2 3.870 . 5.950 2.404 1.883 3.718 . 0 0 "[ . 1 . 2]" 1
774 1 58 TRP H 1 58 TRP HB2 2.750 . 3.700 2.262 2.141 2.395 . 0 0 "[ . 1 . 2]" 1
775 1 58 TRP H 1 58 TRP QB 2.670 . 3.540 2.237 2.121 2.361 . 0 0 "[ . 1 . 2]" 1
776 1 58 TRP H 1 58 TRP HB3 2.750 . 3.700 3.538 3.437 3.592 . 0 0 "[ . 1 . 2]" 1
777 1 58 TRP H 1 58 TRP HD1 3.030 . 4.270 3.050 2.481 3.423 . 0 0 "[ . 1 . 2]" 1
778 1 58 TRP H 1 59 LEU H 2.870 . 3.950 2.569 2.484 2.766 . 0 0 "[ . 1 . 2]" 1
779 1 58 TRP H 1 61 LYS QD 4.030 . 6.270 4.848 4.142 6.154 . 0 0 "[ . 1 . 2]" 1
780 1 58 TRP HA 1 61 LYS H 2.840 . 3.880 3.355 3.146 3.698 . 0 0 "[ . 1 . 2]" 1
781 1 58 TRP HA 1 61 LYS QD 4.180 . 6.560 2.700 1.843 4.169 . 0 0 "[ . 1 . 2]" 1
782 1 58 TRP HE3 1 61 LYS HE2 3.200 . 4.600 3.771 2.913 4.711 0.111 8 0 "[ . 1 . 2]" 1
783 1 58 TRP HE3 1 61 LYS QE 3.020 . 4.250 3.199 2.762 3.915 . 0 0 "[ . 1 . 2]" 1
784 1 58 TRP HE3 1 61 LYS HE3 3.200 . 4.600 3.878 2.887 4.691 0.091 13 0 "[ . 1 . 2]" 1
785 1 58 TRP HZ3 1 61 LYS HE2 3.200 . 4.600 3.500 2.271 4.494 . 0 0 "[ . 1 . 2]" 1
786 1 58 TRP HZ3 1 61 LYS HE3 3.200 . 4.600 3.671 2.634 4.616 0.016 12 0 "[ . 1 . 2]" 1
787 1 59 LEU H 1 59 LEU HB2 2.670 . 3.550 2.290 2.119 2.460 . 0 0 "[ . 1 . 2]" 1
788 1 59 LEU H 1 59 LEU HB3 2.690 . 3.590 3.083 2.678 3.594 0.004 3 0 "[ . 1 . 2]" 1
789 1 59 LEU H 1 59 LEU MD1 3.850 . 5.900 4.067 3.617 4.323 . 0 0 "[ . 1 . 2]" 1
790 1 59 LEU H 1 59 LEU MD2 3.360 . 4.930 3.571 2.450 4.287 . 0 0 "[ . 1 . 2]" 1
791 1 59 LEU H 1 59 LEU HG 3.210 . 4.630 3.819 2.320 4.536 . 0 0 "[ . 1 . 2]" 1
792 1 59 LEU H 1 60 GLY H 2.760 . 3.730 2.807 2.691 2.887 . 0 0 "[ . 1 . 2]" 1
793 1 59 LEU HA 1 59 LEU MD1 3.580 . 5.360 3.113 1.956 3.857 . 0 0 "[ . 1 . 2]" 1
794 1 59 LEU HA 1 59 LEU MD2 3.360 . 4.930 1.994 1.836 3.070 . 0 0 "[ . 1 . 2]" 1
795 1 59 LEU HB2 1 60 GLY H 2.850 . 3.910 3.155 2.348 3.716 . 0 0 "[ . 1 . 2]" 1
796 1 59 LEU HB3 1 60 GLY H 2.530 . 3.260 2.756 2.356 3.307 0.047 11 0 "[ . 1 . 2]" 1
797 1 59 LEU MD1 1 60 GLY H 4.100 . 6.410 3.911 3.301 4.692 . 0 0 "[ . 1 . 2]" 1
798 1 59 LEU MD1 1 63 LEU MD1 4.390 . 6.990 3.663 2.158 6.266 . 0 0 "[ . 1 . 2]" 1
799 1 59 LEU MD2 1 60 GLY H 3.810 . 5.830 4.465 3.459 4.608 . 0 0 "[ . 1 . 2]" 1
800 1 59 LEU MD2 1 62 THR MG 4.520 . 7.250 4.056 3.486 4.664 . 0 0 "[ . 1 . 2]" 1
801 1 59 LEU MD2 1 63 LEU MD1 4.500 . 7.210 4.451 3.589 6.604 . 0 0 "[ . 1 . 2]" 1
802 1 59 LEU MD2 1 75 ALA MB 4.610 . 7.430 4.419 1.987 5.991 . 0 0 "[ . 1 . 2]" 1
803 1 59 LEU HG 1 60 GLY H 3.360 . 4.920 4.735 4.353 5.020 0.100 1 0 "[ . 1 . 2]" 1
804 1 60 GLY H 1 61 LYS H 2.780 . 3.770 2.735 2.653 2.854 . 0 0 "[ . 1 . 2]" 1
805 1 60 GLY H 1 76 TRP HE1 3.680 . 5.570 3.522 3.014 4.061 . 0 0 "[ . 1 . 2]" 1
806 1 60 GLY QA 1 72 ALA HA 3.510 . 5.220 2.982 1.959 3.573 . 0 0 "[ . 1 . 2]" 1
807 1 60 GLY QA 1 72 ALA MB 4.170 . 6.550 3.560 2.831 4.177 . 0 0 "[ . 1 . 2]" 1
808 1 60 GLY QA 1 75 ALA MB 4.290 . 6.780 2.288 1.755 3.155 0.045 14 0 "[ . 1 . 2]" 1
809 1 60 GLY QA 1 76 TRP HE1 3.600 . 5.400 2.332 1.790 2.722 0.010 3 0 "[ . 1 . 2]" 1
810 1 60 GLY HA2 1 72 ALA MB 4.230 . 6.660 3.821 2.980 4.599 . 0 0 "[ . 1 . 2]" 1
811 1 60 GLY HA2 1 76 TRP HE1 3.900 . 6.000 4.024 3.508 4.452 . 0 0 "[ . 1 . 2]" 1
812 1 60 GLY HA3 1 72 ALA MB 4.230 . 6.660 4.278 3.406 4.958 . 0 0 "[ . 1 . 2]" 1
813 1 60 GLY HA3 1 76 TRP HE1 3.900 . 6.000 2.348 1.795 2.754 0.005 3 0 "[ . 1 . 2]" 1
814 1 61 LYS H 1 61 LYS HB2 2.760 . 3.730 2.428 2.276 3.617 . 0 0 "[ . 1 . 2]" 1
815 1 61 LYS H 1 61 LYS QB 2.650 . 3.500 2.325 2.166 2.490 . 0 0 "[ . 1 . 2]" 1
816 1 61 LYS H 1 61 LYS HB3 2.760 . 3.730 3.385 2.537 3.595 . 0 0 "[ . 1 . 2]" 1
817 1 61 LYS H 1 61 LYS HD2 3.900 . 6.000 4.886 3.874 5.882 . 0 0 "[ . 1 . 2]" 1
818 1 61 LYS H 1 61 LYS HD3 3.900 . 6.000 4.108 3.699 4.775 . 0 0 "[ . 1 . 2]" 1
819 1 61 LYS H 1 61 LYS HE2 3.840 . 5.890 5.508 4.661 5.964 0.074 7 0 "[ . 1 . 2]" 1
820 1 61 LYS H 1 61 LYS QE 3.750 . 5.700 4.606 4.440 4.735 . 0 0 "[ . 1 . 2]" 1
821 1 61 LYS H 1 61 LYS HE3 3.840 . 5.890 5.097 4.621 5.922 0.032 8 0 "[ . 1 . 2]" 1
822 1 61 LYS H 1 61 LYS HG2 3.020 . 4.240 3.705 2.209 4.450 0.210 15 0 "[ . 1 . 2]" 1
823 1 61 LYS H 1 61 LYS QG 2.840 . 3.880 2.618 2.168 3.887 0.007 12 0 "[ . 1 . 2]" 1
824 1 61 LYS H 1 61 LYS HG3 3.020 . 4.240 2.772 2.191 4.296 0.056 12 0 "[ . 1 . 2]" 1
825 1 61 LYS H 1 62 THR H 2.690 . 3.590 2.617 2.472 2.721 . 0 0 "[ . 1 . 2]" 1
826 1 61 LYS H 1 76 TRP HE1 2.750 . 3.700 3.047 2.375 3.549 . 0 0 "[ . 1 . 2]" 1
827 1 61 LYS H 1 76 TRP HZ2 2.940 . 4.090 3.744 3.006 4.127 0.037 14 0 "[ . 1 . 2]" 1
828 1 61 LYS HA 1 76 TRP HZ2 2.780 . 3.770 2.700 1.898 3.816 0.046 3 0 "[ . 1 . 2]" 1
829 1 61 LYS QB 1 61 LYS QE 2.800 . 3.810 1.937 1.858 2.048 . 0 0 "[ . 1 . 2]" 1
830 1 61 LYS QB 1 98 PHE QE 5.100 . 8.400 4.913 3.767 5.881 . 0 0 "[ . 1 . 2]" 1
831 1 61 LYS HB2 1 61 LYS HE2 3.090 . 4.380 3.488 2.029 4.188 . 0 0 "[ . 1 . 2]" 1
832 1 61 LYS HB2 1 61 LYS HE3 3.090 . 4.380 3.110 2.542 4.164 . 0 0 "[ . 1 . 2]" 1
833 1 61 LYS HB3 1 61 LYS HE2 3.090 . 4.380 3.037 2.006 3.654 . 0 0 "[ . 1 . 2]" 1
834 1 61 LYS HB3 1 61 LYS HE3 3.090 . 4.380 2.276 1.911 3.972 . 0 0 "[ . 1 . 2]" 1
835 1 61 LYS QD 1 98 PHE HZ 3.830 . 5.870 3.116 2.110 4.062 . 0 0 "[ . 1 . 2]" 1
836 1 61 LYS HD2 1 98 PHE QE 4.960 . 8.130 3.464 2.368 4.528 . 0 0 "[ . 1 . 2]" 1
837 1 61 LYS HD3 1 98 PHE QE 4.960 . 8.130 4.562 3.178 5.808 . 0 0 "[ . 1 . 2]" 1
838 1 61 LYS QE 1 98 PHE HZ 3.890 . 5.980 4.714 3.495 5.737 . 0 0 "[ . 1 . 2]" 1
839 1 61 LYS QG 1 76 TRP HE1 3.200 . 4.610 3.448 2.430 4.642 0.032 7 0 "[ . 1 . 2]" 1
840 1 61 LYS QG 1 76 TRP HZ2 3.280 . 4.760 2.998 1.929 4.640 . 0 0 "[ . 1 . 2]" 1
841 1 62 THR H 1 62 THR HB 2.510 . 3.230 2.668 2.478 3.471 0.241 14 0 "[ . 1 . 2]" 1
842 1 62 THR HA 1 65 GLY H 2.820 . 3.840 3.502 3.266 3.760 . 0 0 "[ . 1 . 2]" 1
843 1 62 THR MG 1 63 LEU H 4.050 . 6.300 3.616 3.332 4.249 . 0 0 "[ . 1 . 2]" 1
844 1 63 LEU H 1 63 LEU HB2 2.640 . 3.480 2.365 2.197 2.514 . 0 0 "[ . 1 . 2]" 1
845 1 63 LEU H 1 63 LEU HB3 2.690 . 3.590 3.565 3.494 3.603 0.013 6 0 "[ . 1 . 2]" 1
846 1 63 LEU H 1 63 LEU MD1 3.530 . 5.260 3.712 3.503 3.943 . 0 0 "[ . 1 . 2]" 1
847 1 63 LEU H 1 63 LEU MD2 3.270 . 4.750 3.034 1.874 3.665 . 0 0 "[ . 1 . 2]" 1
848 1 63 LEU H 1 63 LEU HG 2.710 . 3.620 2.862 2.232 3.811 0.191 17 0 "[ . 1 . 2]" 1
849 1 63 LEU H 1 64 GLN H 2.670 . 3.550 2.609 2.519 2.753 . 0 0 "[ . 1 . 2]" 1
850 1 63 LEU H 1 72 ALA MB 4.140 . 6.480 4.380 3.855 5.494 . 0 0 "[ . 1 . 2]" 1
851 1 63 LEU HA 1 63 LEU MD1 3.900 . 6.010 3.297 1.947 3.870 . 0 0 "[ . 1 . 2]" 1
852 1 63 LEU HA 1 63 LEU MD2 2.980 . 4.170 2.094 1.851 2.729 . 0 0 "[ . 1 . 2]" 1
853 1 63 LEU HA 1 72 ALA MB 4.410 . 7.020 4.608 4.128 5.960 . 0 0 "[ . 1 . 2]" 1
854 1 63 LEU HB2 1 72 ALA H 3.210 . 4.630 3.959 3.244 4.657 0.027 14 0 "[ . 1 . 2]" 1
855 1 63 LEU HB2 1 72 ALA MB 3.790 . 5.790 2.916 2.298 4.600 . 0 0 "[ . 1 . 2]" 1
856 1 63 LEU MD1 1 71 GLY H 3.720 . 5.650 4.595 3.863 5.491 . 0 0 "[ . 1 . 2]" 1
857 1 63 LEU MD1 1 71 GLY HA2 3.890 . 5.980 3.704 2.962 4.298 . 0 0 "[ . 1 . 2]" 1
858 1 63 LEU MD1 1 71 GLY QA 3.770 . 5.750 2.716 2.139 3.442 . 0 0 "[ . 1 . 2]" 1
859 1 63 LEU MD1 1 71 GLY HA3 3.890 . 5.980 2.828 2.158 3.623 . 0 0 "[ . 1 . 2]" 1
860 1 63 LEU MD1 1 72 ALA H 3.510 . 5.220 3.844 3.006 5.094 . 0 0 "[ . 1 . 2]" 1
861 1 63 LEU MD1 1 72 ALA HA 3.940 . 6.080 3.270 2.006 4.687 . 0 0 "[ . 1 . 2]" 1
862 1 63 LEU MD1 1 75 ALA H 4.230 . 6.660 4.190 3.226 5.941 . 0 0 "[ . 1 . 2]" 1
863 1 63 LEU MD1 1 75 ALA MB 4.390 . 6.990 2.659 1.729 4.677 0.061 14 0 "[ . 1 . 2]" 1
864 1 63 LEU MD2 1 68 ASP QB 4.720 . 7.650 4.037 2.466 5.875 . 0 0 "[ . 1 . 2]" 1
865 1 63 LEU MD2 1 72 ALA MB 4.920 . 8.040 4.661 3.953 6.031 . 0 0 "[ . 1 . 2]" 1
866 1 63 LEU MD2 1 75 ALA MB 4.570 . 7.350 3.918 2.723 4.656 . 0 0 "[ . 1 . 2]" 1
867 1 64 GLN H 1 64 GLN QB 2.800 . 3.810 2.236 2.077 2.519 . 0 0 "[ . 1 . 2]" 1
868 1 64 GLN H 1 65 GLY H 2.690 . 3.590 2.675 2.548 2.827 . 0 0 "[ . 1 . 2]" 1
869 1 64 GLN H 1 72 ALA MB 3.560 . 5.330 2.942 2.450 3.630 . 0 0 "[ . 1 . 2]" 1
870 1 64 GLN HA 1 64 GLN HG2 2.850 . 3.910 3.263 2.358 3.852 . 0 0 "[ . 1 . 2]" 1
871 1 64 GLN HA 1 64 GLN QG 2.760 . 3.720 2.763 2.330 3.348 . 0 0 "[ . 1 . 2]" 1
872 1 64 GLN HA 1 64 GLN HG3 2.850 . 3.910 3.229 2.536 3.706 . 0 0 "[ . 1 . 2]" 1
873 1 64 GLN HA 1 67 GLY H 2.940 . 4.090 3.571 3.165 4.101 0.011 15 0 "[ . 1 . 2]" 1
874 1 64 GLN HA 1 68 ASP H 2.940 . 4.090 3.796 3.261 4.123 0.033 8 0 "[ . 1 . 2]" 1
875 1 64 GLN HA 1 72 ALA MB 3.610 . 5.430 2.613 1.715 3.661 0.075 15 0 "[ . 1 . 2]" 1
876 1 64 GLN QB 1 72 ALA MB 3.930 . 6.060 2.590 1.953 4.358 . 0 0 "[ . 1 . 2]" 1
877 1 64 GLN HB2 1 65 GLY H 2.820 . 3.840 3.656 2.749 3.912 0.072 12 0 "[ . 1 . 2]" 1
878 1 64 GLN HB3 1 65 GLY H 2.820 . 3.840 2.717 2.372 3.924 0.084 1 0 "[ . 1 . 2]" 1
879 1 64 GLN QE 1 102 LEU MD1 3.930 . 6.060 3.608 2.195 5.248 . 0 0 "[ . 1 . 2]" 1
880 1 64 GLN HE21 1 102 LEU MD1 4.050 . 6.300 4.275 2.612 6.343 0.043 9 0 "[ . 1 . 2]" 1
881 1 64 GLN HE21 1 102 LEU MD2 3.790 . 5.790 3.738 2.143 5.224 . 0 0 "[ . 1 . 2]" 1
882 1 64 GLN HE22 1 102 LEU MD1 4.050 . 6.300 4.194 2.249 6.319 0.019 17 0 "[ . 1 . 2]" 1
883 1 64 GLN HE22 1 102 LEU MD2 3.790 . 5.790 3.867 1.786 5.832 0.042 2 0 "[ . 1 . 2]" 1
884 1 64 GLN QG 1 65 GLY H 3.620 . 5.440 3.709 2.169 4.509 . 0 0 "[ . 1 . 2]" 1
885 1 64 GLN QG 1 72 ALA MB 4.090 . 6.390 3.301 1.901 4.792 . 0 0 "[ . 1 . 2]" 1
886 1 65 GLY H 1 66 GLN H 2.620 . 3.440 2.607 2.435 2.789 . 0 0 "[ . 1 . 2]" 1
887 1 66 GLN H 1 66 GLN QB 2.810 . 3.820 2.314 2.108 2.967 . 0 0 "[ . 1 . 2]" 1
888 1 66 GLN H 1 67 GLY H 2.530 . 3.260 2.522 2.301 2.641 . 0 0 "[ . 1 . 2]" 1
889 1 66 GLN H 1 68 ASP H 2.980 . 4.160 4.008 3.557 4.215 0.055 11 0 "[ . 1 . 2]" 1
890 1 67 GLY H 1 68 ASP H 2.490 . 3.190 2.134 1.768 2.535 0.022 6 0 "[ . 1 . 2]" 1
891 1 68 ASP H 1 69 ARG H 2.870 . 3.950 4.007 3.855 4.115 0.165 14 0 "[ . 1 . 2]" 1
892 1 68 ASP HA 1 69 ARG H 2.330 . 2.870 2.173 2.053 2.294 . 0 0 "[ . 1 . 2]" 1
893 1 68 ASP HA 1 70 ALA H 2.960 . 4.130 3.585 3.341 4.042 . 0 0 "[ . 1 . 2]" 1
894 1 69 ARG H 1 69 ARG QD 4.210 . 6.630 3.985 3.195 4.930 . 0 0 "[ . 1 . 2]" 1
895 1 69 ARG H 1 70 ALA H 2.550 . 3.300 2.668 2.588 2.846 . 0 0 "[ . 1 . 2]" 1
896 1 69 ARG HA 1 72 ALA H 3.000 . 4.200 3.559 3.067 4.115 . 0 0 "[ . 1 . 2]" 1
897 1 69 ARG HA 1 72 ALA MB 3.450 . 5.110 2.609 2.163 3.311 . 0 0 "[ . 1 . 2]" 1
898 1 69 ARG HA 1 102 LEU MD1 4.080 . 6.370 3.465 2.555 4.083 . 0 0 "[ . 1 . 2]" 1
899 1 69 ARG HA 1 102 LEU MD2 4.210 . 6.620 3.194 1.930 5.125 . 0 0 "[ . 1 . 2]" 1
900 1 69 ARG QB 1 70 ALA H 2.860 . 3.930 3.156 2.448 3.620 . 0 0 "[ . 1 . 2]" 1
901 1 69 ARG HB2 1 70 ALA H 2.980 . 4.160 3.803 2.497 4.066 . 0 0 "[ . 1 . 2]" 1
902 1 69 ARG HB3 1 70 ALA H 2.980 . 4.160 3.573 2.495 4.233 0.073 13 0 "[ . 1 . 2]" 1
903 1 69 ARG QD 1 102 LEU MD1 4.450 . 7.110 3.562 2.046 5.602 . 0 0 "[ . 1 . 2]" 1
904 1 69 ARG QD 1 102 LEU MD2 4.380 . 6.960 4.145 3.170 5.403 . 0 0 "[ . 1 . 2]" 1
905 1 69 ARG QG 1 70 ALA H 3.110 . 4.430 2.963 2.229 4.152 . 0 0 "[ . 1 . 2]" 1
906 1 70 ALA H 1 70 ALA MB 2.730 . 3.670 2.247 2.233 2.260 . 0 0 "[ . 1 . 2]" 1
907 1 70 ALA H 1 72 ALA H 3.000 . 4.200 3.988 3.786 4.228 0.028 19 0 "[ . 1 . 2]" 1
908 1 70 ALA H 1 72 ALA MB 4.410 . 7.020 4.652 4.400 5.030 . 0 0 "[ . 1 . 2]" 1
909 1 70 ALA H 1 102 LEU MD2 4.260 . 6.730 5.371 4.723 6.591 . 0 0 "[ . 1 . 2]" 1
910 1 70 ALA HA 1 72 ALA H 3.250 . 4.700 4.407 4.086 4.610 . 0 0 "[ . 1 . 2]" 1
911 1 70 ALA HA 1 73 ARG H 2.820 . 3.840 3.605 3.447 3.847 0.007 19 0 "[ . 1 . 2]" 1
912 1 70 ALA HA 1 74 GLN H 2.960 . 4.130 4.144 4.015 4.225 0.095 8 0 "[ . 1 . 2]" 1
913 1 70 ALA MB 1 71 GLY H 2.970 . 4.140 2.417 2.326 2.621 . 0 0 "[ . 1 . 2]" 1
914 1 70 ALA MB 1 71 GLY HA2 3.900 . 6.010 3.827 3.738 3.917 . 0 0 "[ . 1 . 2]" 1
915 1 70 ALA MB 1 71 GLY QA 3.800 . 5.800 3.525 3.460 3.609 . 0 0 "[ . 1 . 2]" 1
916 1 70 ALA MB 1 71 GLY HA3 3.900 . 6.010 4.127 4.032 4.266 . 0 0 "[ . 1 . 2]" 1
917 1 70 ALA MB 1 72 ALA H 3.580 . 5.360 4.433 4.298 4.573 . 0 0 "[ . 1 . 2]" 1
918 1 71 GLY H 1 72 ALA H 2.600 . 3.410 2.660 2.517 2.807 . 0 0 "[ . 1 . 2]" 1
919 1 71 GLY H 1 72 ALA MB 4.240 . 6.690 4.323 4.192 4.458 . 0 0 "[ . 1 . 2]" 1
920 1 71 GLY H 1 73 ARG H 3.050 . 4.310 4.311 4.175 4.389 0.079 17 0 "[ . 1 . 2]" 1
921 1 72 ALA H 1 73 ARG H 2.620 . 3.440 2.739 2.579 2.835 . 0 0 "[ . 1 . 2]" 1
922 1 72 ALA H 1 74 GLN H 3.020 . 4.240 4.189 3.983 4.316 0.076 20 0 "[ . 1 . 2]" 1
923 1 72 ALA H 1 102 LEU MD1 4.410 . 7.020 5.305 4.186 6.030 . 0 0 "[ . 1 . 2]" 1
924 1 72 ALA H 1 102 LEU MD2 4.350 . 6.910 4.820 3.944 6.050 . 0 0 "[ . 1 . 2]" 1
925 1 72 ALA HA 1 75 ALA MB 3.830 . 5.870 2.760 2.404 3.128 . 0 0 "[ . 1 . 2]" 1
926 1 72 ALA MB 1 73 ARG HA 3.900 . 6.010 3.799 3.713 3.886 . 0 0 "[ . 1 . 2]" 1
927 1 72 ALA MB 1 73 ARG QB 3.910 . 6.030 3.810 3.685 3.997 . 0 0 "[ . 1 . 2]" 1
928 1 72 ALA MB 1 74 GLN H 4.080 . 6.370 4.526 4.357 4.675 . 0 0 "[ . 1 . 2]" 1
929 1 72 ALA MB 1 75 ALA MB 4.450 . 7.100 3.970 3.701 4.180 . 0 0 "[ . 1 . 2]" 1
930 1 72 ALA MB 1 76 TRP HH2 4.100 . 6.410 3.302 2.680 3.833 . 0 0 "[ . 1 . 2]" 1
931 1 72 ALA MB 1 102 LEU MD1 4.570 . 7.350 3.440 2.119 4.081 . 0 0 "[ . 1 . 2]" 1
932 1 72 ALA MB 1 102 LEU MD2 4.340 . 6.890 2.815 2.050 3.907 . 0 0 "[ . 1 . 2]" 1
933 1 73 ARG H 1 73 ARG QB 2.780 . 3.760 2.371 2.194 2.752 . 0 0 "[ . 1 . 2]" 1
934 1 73 ARG H 1 74 GLN H 2.510 . 3.230 2.715 2.584 2.835 . 0 0 "[ . 1 . 2]" 1
935 1 73 ARG H 1 102 LEU MD1 3.870 . 5.940 4.094 2.729 5.278 . 0 0 "[ . 1 . 2]" 1
936 1 73 ARG H 1 102 LEU MD2 3.340 . 4.890 3.607 2.575 4.550 . 0 0 "[ . 1 . 2]" 1
937 1 73 ARG HA 1 76 TRP H 3.000 . 4.200 3.545 3.061 3.930 . 0 0 "[ . 1 . 2]" 1
938 1 73 ARG HA 1 77 GLU H 3.140 . 4.490 4.100 3.732 4.549 0.059 20 0 "[ . 1 . 2]" 1
939 1 73 ARG HA 1 99 LEU MD2 3.470 . 5.150 3.561 2.341 5.148 . 0 0 "[ . 1 . 2]" 1
940 1 73 ARG HA 1 102 LEU MD1 3.850 . 5.900 4.399 2.283 5.913 0.013 14 0 "[ . 1 . 2]" 1
941 1 73 ARG HA 1 102 LEU MD2 3.830 . 5.870 3.748 1.994 5.082 . 0 0 "[ . 1 . 2]" 1
942 1 73 ARG QG 1 77 GLU H 3.960 . 6.120 4.555 3.728 5.843 . 0 0 "[ . 1 . 2]" 1
943 1 74 GLN H 1 74 GLN QG 3.130 . 4.470 3.150 1.941 4.050 . 0 0 "[ . 1 . 2]" 1
944 1 74 GLN H 1 75 ALA H 2.490 . 3.190 2.695 2.557 2.837 . 0 0 "[ . 1 . 2]" 1
945 1 74 GLN HA 1 74 GLN QE 3.930 . 6.070 4.304 2.182 5.053 . 0 0 "[ . 1 . 2]" 1
946 1 74 GLN HA 1 76 TRP H 3.250 . 4.700 4.499 4.311 4.704 0.004 5 0 "[ . 1 . 2]" 1
947 1 74 GLN QB 1 74 GLN HE22 4.340 . 6.880 3.877 3.205 4.368 . 0 0 "[ . 1 . 2]" 1
948 1 74 GLN QB 1 75 ALA H 3.080 . 4.360 2.702 2.348 3.549 . 0 0 "[ . 1 . 2]" 1
949 1 74 GLN QG 1 75 ALA H 3.890 . 5.980 3.621 2.238 4.442 . 0 0 "[ . 1 . 2]" 1
950 1 75 ALA H 1 76 TRP H 2.600 . 3.410 2.700 2.620 2.798 . 0 0 "[ . 1 . 2]" 1
951 1 76 TRP H 1 76 TRP HB2 2.620 . 3.440 2.337 2.254 2.402 . 0 0 "[ . 1 . 2]" 1
952 1 76 TRP H 1 76 TRP HB3 2.670 . 3.550 3.572 3.542 3.587 0.037 8 0 "[ . 1 . 2]" 1
953 1 76 TRP H 1 77 GLU H 2.600 . 3.410 2.648 2.570 2.793 . 0 0 "[ . 1 . 2]" 1
954 1 76 TRP H 1 78 SER H 2.910 . 4.020 4.057 4.037 4.102 0.082 7 0 "[ . 1 . 2]" 1
955 1 76 TRP H 1 99 LEU MD1 4.010 . 6.230 5.228 3.733 6.245 0.015 5 0 "[ . 1 . 2]" 1
956 1 76 TRP H 1 99 LEU MD2 3.450 . 5.110 4.356 3.771 5.133 0.023 6 0 "[ . 1 . 2]" 1
957 1 76 TRP HA 1 76 TRP HD1 2.890 . 3.980 2.138 2.038 2.237 . 0 0 "[ . 1 . 2]" 1
958 1 76 TRP HA 1 95 LEU MD2 3.610 . 5.430 3.282 2.258 3.903 . 0 0 "[ . 1 . 2]" 1
959 1 76 TRP HB2 1 77 GLU H 3.020 . 4.240 2.761 2.598 2.879 . 0 0 "[ . 1 . 2]" 1
960 1 76 TRP HB2 1 99 LEU MD2 3.380 . 4.970 2.449 1.854 3.390 . 0 0 "[ . 1 . 2]" 1
961 1 76 TRP HB3 1 77 GLU H 3.270 . 4.740 3.521 3.337 3.648 . 0 0 "[ . 1 . 2]" 1
962 1 76 TRP HB3 1 95 LEU MD2 4.120 . 6.440 3.632 2.738 4.361 . 0 0 "[ . 1 . 2]" 1
963 1 76 TRP HB3 1 99 LEU MD1 3.990 . 6.190 3.157 2.617 3.935 . 0 0 "[ . 1 . 2]" 1
964 1 76 TRP HB3 1 99 LEU MD2 4.080 . 6.370 2.215 1.768 3.178 0.022 2 0 "[ . 1 . 2]" 1
965 1 76 TRP HD1 1 95 LEU MD2 2.930 . 4.070 1.903 1.759 2.571 0.031 6 0 "[ . 1 . 2]" 1
966 1 76 TRP HE1 1 95 LEU MD2 2.860 . 3.920 2.787 2.036 3.216 . 0 0 "[ . 1 . 2]" 1
967 1 76 TRP HZ3 1 102 LEU QB 3.290 . 4.790 2.334 1.787 3.340 0.003 17 0 "[ . 1 . 2]" 1
968 1 76 TRP HZ3 1 102 LEU MD1 3.920 . 6.050 3.138 1.921 4.062 . 0 0 "[ . 1 . 2]" 1
969 1 76 TRP HZ3 1 102 LEU MD2 2.790 . 3.780 2.187 1.764 3.216 0.036 2 0 "[ . 1 . 2]" 1
970 1 77 GLU H 1 77 GLU HB2 2.730 . 3.660 2.446 2.232 2.581 . 0 0 "[ . 1 . 2]" 1
971 1 77 GLU H 1 77 GLU HB3 2.730 . 3.660 3.594 3.514 3.618 . 0 0 "[ . 1 . 2]" 1
972 1 77 GLU H 1 77 GLU HG2 2.660 . 3.520 3.212 2.072 3.543 0.023 9 0 "[ . 1 . 2]" 1
973 1 77 GLU H 1 77 GLU HG3 2.660 . 3.520 2.603 2.131 3.602 0.082 7 0 "[ . 1 . 2]" 1
974 1 77 GLU H 1 78 SER H 2.660 . 3.520 2.665 2.577 2.747 . 0 0 "[ . 1 . 2]" 1
975 1 77 GLU H 1 99 LEU MD1 4.080 . 6.370 4.164 3.045 5.153 . 0 0 "[ . 1 . 2]" 1
976 1 77 GLU H 1 99 LEU MD2 3.560 . 5.330 3.667 2.875 4.362 . 0 0 "[ . 1 . 2]" 1
977 1 77 GLU HA 1 77 GLU HG2 2.850 . 3.910 2.525 2.337 2.963 . 0 0 "[ . 1 . 2]" 1
978 1 77 GLU HA 1 77 GLU QG 2.770 . 3.750 2.439 2.279 2.871 . 0 0 "[ . 1 . 2]" 1
979 1 77 GLU HA 1 77 GLU HG3 2.850 . 3.910 3.240 2.955 3.848 . 0 0 "[ . 1 . 2]" 1
980 1 77 GLU HA 1 99 LEU MD1 3.260 . 4.720 3.789 2.646 4.546 . 0 0 "[ . 1 . 2]" 1
981 1 77 GLU QB 1 78 SER H 2.600 . 3.400 2.607 2.466 2.753 . 0 0 "[ . 1 . 2]" 1
982 1 77 GLU QB 1 99 LEU MD1 4.380 . 6.960 4.627 3.784 5.657 . 0 0 "[ . 1 . 2]" 1
983 1 77 GLU HB2 1 78 SER H 2.710 . 3.620 2.676 2.508 2.845 . 0 0 "[ . 1 . 2]" 1
984 1 77 GLU HB3 1 78 SER H 2.710 . 3.620 3.613 3.285 3.676 0.056 19 0 "[ . 1 . 2]" 1
985 1 77 GLU QG 1 78 SER H 3.670 . 5.550 4.116 3.903 4.250 . 0 0 "[ . 1 . 2]" 1
986 1 77 GLU QG 1 99 LEU MD1 3.940 . 6.090 3.090 2.164 4.260 . 0 0 "[ . 1 . 2]" 1
987 1 77 GLU QG 1 99 LEU MD2 3.710 . 5.620 3.148 1.974 4.240 . 0 0 "[ . 1 . 2]" 1
988 1 77 GLU HG2 1 99 LEU MD1 4.010 . 6.230 3.347 2.241 4.529 . 0 0 "[ . 1 . 2]" 1
989 1 77 GLU HG2 1 99 LEU MD2 3.780 . 5.760 3.559 2.068 4.758 . 0 0 "[ . 1 . 2]" 1
990 1 77 GLU HG3 1 99 LEU MD1 4.010 . 6.230 3.835 2.408 5.473 . 0 0 "[ . 1 . 2]" 1
991 1 77 GLU HG3 1 99 LEU MD2 3.780 . 5.760 3.711 2.307 5.638 . 0 0 "[ . 1 . 2]" 1
992 1 78 SER H 1 79 GLY H 2.640 . 3.480 2.570 2.473 2.678 . 0 0 "[ . 1 . 2]" 1
993 1 78 SER HA 1 81 ALA MB 3.380 . 4.970 3.348 2.935 4.041 . 0 0 "[ . 1 . 2]" 1
994 1 79 GLY H 1 81 ALA MB 4.410 . 7.020 5.218 4.993 5.561 . 0 0 "[ . 1 . 2]" 1
995 1 79 GLY H 1 82 ALA MB 4.100 . 6.410 4.630 4.333 5.072 . 0 0 "[ . 1 . 2]" 1
996 1 79 GLY H 1 95 LEU MD1 4.050 . 6.300 4.215 3.940 4.657 . 0 0 "[ . 1 . 2]" 1
997 1 79 GLY QA 1 82 ALA H 3.690 . 5.580 3.146 2.960 3.295 . 0 0 "[ . 1 . 2]" 1
998 1 79 GLY QA 1 82 ALA MB 3.700 . 5.600 2.337 2.107 2.682 . 0 0 "[ . 1 . 2]" 1
999 1 79 GLY HA2 1 82 ALA MB 3.790 . 5.790 2.367 2.125 2.741 . 0 0 "[ . 1 . 2]" 1
1000 1 79 GLY HA3 1 82 ALA MB 3.790 . 5.790 3.638 3.499 3.837 . 0 0 "[ . 1 . 2]" 1
1001 1 80 LEU H 1 80 LEU HB2 2.550 . 3.300 2.167 2.106 2.244 . 0 0 "[ . 1 . 2]" 1
1002 1 80 LEU H 1 80 LEU HB3 2.660 . 3.520 2.914 2.810 3.426 . 0 0 "[ . 1 . 2]" 1
1003 1 80 LEU H 1 80 LEU MD1 4.210 . 6.620 3.609 2.573 4.059 . 0 0 "[ . 1 . 2]" 1
1004 1 80 LEU H 1 80 LEU MD2 3.720 . 5.650 4.211 3.951 4.313 . 0 0 "[ . 1 . 2]" 1
1005 1 80 LEU H 1 81 ALA H 2.750 . 3.700 2.741 2.687 2.805 . 0 0 "[ . 1 . 2]" 1
1006 1 80 LEU H 1 82 ALA H 3.430 . 5.060 3.906 3.746 4.103 . 0 0 "[ . 1 . 2]" 1
1007 1 80 LEU H 1 95 LEU MD1 3.310 . 4.820 3.374 2.955 3.984 . 0 0 "[ . 1 . 2]" 1
1008 1 80 LEU H 1 95 LEU MD2 4.140 . 6.480 5.270 4.629 6.081 . 0 0 "[ . 1 . 2]" 1
1009 1 80 LEU HA 1 80 LEU MD1 3.270 . 4.750 2.031 1.862 3.737 . 0 0 "[ . 1 . 2]" 1
1010 1 80 LEU HA 1 80 LEU MD2 3.290 . 4.790 3.748 2.576 3.833 . 0 0 "[ . 1 . 2]" 1
1011 1 80 LEU HA 1 82 ALA H 3.020 . 4.240 4.262 4.072 4.301 0.061 18 0 "[ . 1 . 2]" 1
1012 1 80 LEU HA 1 83 ALA H 2.850 . 3.910 3.453 3.313 3.573 . 0 0 "[ . 1 . 2]" 1
1013 1 80 LEU HA 1 83 ALA MB 3.250 . 4.710 2.787 2.575 2.955 . 0 0 "[ . 1 . 2]" 1
1014 1 80 LEU HA 1 84 GLN H 3.050 . 4.310 4.037 3.841 4.242 . 0 0 "[ . 1 . 2]" 1
1015 1 80 LEU HA 1 92 VAL MG2 3.690 . 5.580 3.460 3.018 4.182 . 0 0 "[ . 1 . 2]" 1
1016 1 80 LEU HA 1 95 LEU MD1 3.270 . 4.750 2.806 2.171 3.530 . 0 0 "[ . 1 . 2]" 1
1017 1 80 LEU HA 1 95 LEU MD2 3.920 . 6.050 5.299 4.597 5.972 . 0 0 "[ . 1 . 2]" 1
1018 1 80 LEU HB2 1 81 ALA H 2.510 . 3.230 3.336 2.834 3.432 0.202 5 0 "[ . 1 . 2]" 1
1019 1 80 LEU HB3 1 81 ALA H 2.480 . 3.160 2.352 2.166 2.957 . 0 0 "[ . 1 . 2]" 1
1020 1 80 LEU MD1 1 81 ALA H 3.920 . 6.050 4.556 4.380 4.623 . 0 0 "[ . 1 . 2]" 1
1021 1 80 LEU MD1 1 84 GLN H 4.410 . 7.020 4.938 4.559 6.018 . 0 0 "[ . 1 . 2]" 1
1022 1 80 LEU MD1 1 84 GLN HG2 3.900 . 6.010 4.282 3.700 5.258 . 0 0 "[ . 1 . 2]" 1
1023 1 80 LEU MD1 1 84 GLN QG 3.790 . 5.790 4.063 3.531 4.947 . 0 0 "[ . 1 . 2]" 1
1024 1 80 LEU MD1 1 84 GLN HG3 3.900 . 6.010 5.076 4.469 6.025 0.015 20 0 "[ . 1 . 2]" 1
1025 1 80 LEU MD1 1 92 VAL H 4.410 . 7.020 4.643 4.275 7.056 0.036 10 0 "[ . 1 . 2]" 1
1026 1 80 LEU MD1 1 92 VAL HA 3.360 . 4.930 2.294 1.945 4.813 . 0 0 "[ . 1 . 2]" 1
1027 1 80 LEU MD1 1 96 GLN H 3.880 . 5.970 3.368 2.917 4.518 . 0 0 "[ . 1 . 2]" 1
1028 1 80 LEU MD1 1 96 GLN HA 3.720 . 5.650 3.573 3.049 4.028 . 0 0 "[ . 1 . 2]" 1
1029 1 80 LEU MD1 1 96 GLN QG 3.910 . 6.030 3.567 1.976 4.742 . 0 0 "[ . 1 . 2]" 1
1030 1 80 LEU MD2 1 81 ALA H 3.720 . 5.650 4.229 3.740 4.577 . 0 0 "[ . 1 . 2]" 1
1031 1 80 LEU MD2 1 81 ALA HA 3.720 . 5.650 4.912 3.646 5.554 . 0 0 "[ . 1 . 2]" 1
1032 1 80 LEU MD2 1 84 GLN QE 4.840 . 7.880 5.072 3.935 5.543 . 0 0 "[ . 1 . 2]" 1
1033 1 80 LEU MD2 1 84 GLN QG 4.600 . 7.400 3.823 2.106 4.233 . 0 0 "[ . 1 . 2]" 1
1034 1 80 LEU MD2 1 92 VAL HA 4.050 . 6.300 4.482 3.582 4.792 . 0 0 "[ . 1 . 2]" 1
1035 1 80 LEU MD2 1 93 LYS H 4.210 . 6.620 6.588 5.840 6.700 0.080 8 0 "[ . 1 . 2]" 1
1036 1 80 LEU MD2 1 96 GLN H 3.960 . 6.120 4.943 4.671 5.276 . 0 0 "[ . 1 . 2]" 1
1037 1 80 LEU MD2 1 96 GLN HA 3.440 . 5.080 4.169 3.575 5.082 0.002 10 0 "[ . 1 . 2]" 1
1038 1 80 LEU HG 1 84 GLN QG 3.290 . 4.790 3.122 2.631 4.469 . 0 0 "[ . 1 . 2]" 1
1039 1 80 LEU HG 1 92 VAL MG2 2.880 . 3.960 3.371 3.006 3.965 0.005 10 0 "[ . 1 . 2]" 1
1040 1 81 ALA H 1 82 ALA H 2.460 . 3.120 2.661 2.583 2.725 . 0 0 "[ . 1 . 2]" 1
1041 1 81 ALA H 1 82 ALA MB 4.080 . 6.370 4.352 4.283 4.414 . 0 0 "[ . 1 . 2]" 1
1042 1 81 ALA H 1 83 ALA H 3.360 . 4.920 4.227 4.140 4.332 . 0 0 "[ . 1 . 2]" 1
1043 1 81 ALA HA 1 84 GLN H 2.780 . 3.770 3.194 3.047 3.322 . 0 0 "[ . 1 . 2]" 1
1044 1 81 ALA HA 1 84 GLN HB2 2.730 . 3.660 2.102 2.016 2.154 . 0 0 "[ . 1 . 2]" 1
1045 1 81 ALA HA 1 84 GLN QB 2.620 . 3.440 2.090 2.005 2.140 . 0 0 "[ . 1 . 2]" 1
1046 1 81 ALA HA 1 84 GLN HB3 2.730 . 3.660 3.658 3.556 3.722 0.062 8 0 "[ . 1 . 2]" 1
1047 1 81 ALA HA 1 85 SER H 2.690 . 3.590 3.711 3.675 3.766 0.176 2 0 "[ . 1 . 2]" 1
1048 1 81 ALA MB 1 82 ALA H 2.950 . 4.100 2.715 2.672 2.773 . 0 0 "[ . 1 . 2]" 1
1049 1 81 ALA MB 1 85 SER H 4.410 . 7.020 4.276 4.204 4.341 . 0 0 "[ . 1 . 2]" 1
1050 1 82 ALA H 1 82 ALA MB 2.680 . 3.560 2.248 2.239 2.256 . 0 0 "[ . 1 . 2]" 1
1051 1 82 ALA H 1 83 ALA H 2.640 . 3.480 2.628 2.566 2.704 . 0 0 "[ . 1 . 2]" 1
1052 1 83 ALA H 1 84 GLN H 2.570 . 3.340 2.626 2.502 2.702 . 0 0 "[ . 1 . 2]" 1
1053 1 83 ALA H 1 85 SER H 3.830 . 5.860 4.146 4.037 4.268 . 0 0 "[ . 1 . 2]" 1
1054 1 83 ALA H 1 92 VAL MG1 4.240 . 6.690 5.853 5.548 6.153 . 0 0 "[ . 1 . 2]" 1
1055 1 83 ALA H 1 92 VAL MG2 3.920 . 6.050 4.153 3.863 4.373 . 0 0 "[ . 1 . 2]" 1
1056 1 83 ALA HA 1 86 ARG HB2 3.230 . 4.670 2.705 2.213 3.186 . 0 0 "[ . 1 . 2]" 1
1057 1 83 ALA HA 1 86 ARG QB 3.160 . 4.530 2.614 2.198 3.137 . 0 0 "[ . 1 . 2]" 1
1058 1 83 ALA HA 1 86 ARG HB3 3.230 . 4.670 3.915 2.510 4.698 0.028 17 0 "[ . 1 . 2]" 1
1059 1 83 ALA HA 1 88 ASP H 2.820 . 3.840 3.519 3.299 3.759 . 0 0 "[ . 1 . 2]" 1
1060 1 83 ALA HA 1 88 ASP QB 3.510 . 5.220 2.867 2.495 3.348 . 0 0 "[ . 1 . 2]" 1
1061 1 83 ALA MB 1 84 GLN QB 4.770 . 7.750 4.281 4.189 4.374 . 0 0 "[ . 1 . 2]" 1
1062 1 83 ALA MB 1 84 GLN QG 4.310 . 6.820 3.461 3.301 3.588 . 0 0 "[ . 1 . 2]" 1
1063 1 83 ALA MB 1 85 SER H 3.700 . 5.610 4.603 4.520 4.705 . 0 0 "[ . 1 . 2]" 1
1064 1 83 ALA MB 1 86 ARG QB 4.560 . 7.320 3.980 3.584 4.354 . 0 0 "[ . 1 . 2]" 1
1065 1 83 ALA MB 1 88 ASP H 3.450 . 5.110 3.571 3.396 3.791 . 0 0 "[ . 1 . 2]" 1
1066 1 83 ALA MB 1 88 ASP HB2 3.700 . 5.610 3.279 2.408 4.387 . 0 0 "[ . 1 . 2]" 1
1067 1 83 ALA MB 1 88 ASP QB 3.560 . 5.330 2.571 2.313 3.129 . 0 0 "[ . 1 . 2]" 1
1068 1 83 ALA MB 1 88 ASP HB3 3.700 . 5.610 3.014 2.334 3.885 . 0 0 "[ . 1 . 2]" 1
1069 1 83 ALA MB 1 91 VAL H 3.760 . 5.720 3.982 3.752 4.369 . 0 0 "[ . 1 . 2]" 1
1070 1 83 ALA MB 1 91 VAL HB 3.420 . 5.040 2.267 2.033 2.817 . 0 0 "[ . 1 . 2]" 1
1071 1 83 ALA MB 1 91 VAL MG1 4.210 . 6.630 2.368 2.039 2.681 . 0 0 "[ . 1 . 2]" 1
1072 1 83 ALA MB 1 92 VAL H 3.310 . 4.820 2.954 2.653 3.125 . 0 0 "[ . 1 . 2]" 1
1073 1 83 ALA MB 1 92 VAL HA 3.650 . 5.510 3.101 2.613 3.294 . 0 0 "[ . 1 . 2]" 1
1074 1 83 ALA MB 1 92 VAL MG1 4.300 . 6.810 3.755 3.483 3.988 . 0 0 "[ . 1 . 2]" 1
1075 1 83 ALA MB 1 92 VAL MG2 3.840 . 5.880 1.934 1.829 2.126 . 0 0 "[ . 1 . 2]" 1
1076 1 83 ALA MB 1 95 LEU MD1 4.920 . 8.040 3.108 2.438 3.612 . 0 0 "[ . 1 . 2]" 1
1077 1 84 GLN H 1 84 GLN HB2 2.640 . 3.480 2.326 2.275 2.418 . 0 0 "[ . 1 . 2]" 1
1078 1 84 GLN H 1 84 GLN HB3 2.640 . 3.480 3.545 3.529 3.565 0.085 19 0 "[ . 1 . 2]" 1
1079 1 84 GLN H 1 84 GLN HG2 2.710 . 3.620 2.462 2.327 2.572 . 0 0 "[ . 1 . 2]" 1
1080 1 84 GLN H 1 84 GLN QG 2.560 . 3.330 2.424 2.291 2.523 . 0 0 "[ . 1 . 2]" 1
1081 1 84 GLN H 1 84 GLN HG3 2.710 . 3.620 3.628 3.421 3.695 0.075 13 0 "[ . 1 . 2]" 1
1082 1 84 GLN H 1 85 SER H 2.550 . 3.300 2.754 2.650 2.818 . 0 0 "[ . 1 . 2]" 1
1083 1 84 GLN H 1 86 ARG H 3.200 . 4.600 4.100 3.970 4.317 . 0 0 "[ . 1 . 2]" 1
1084 1 84 GLN H 1 92 VAL MG1 4.030 . 6.260 4.765 4.370 5.078 . 0 0 "[ . 1 . 2]" 1
1085 1 84 GLN H 1 92 VAL MG2 3.360 . 4.930 3.107 2.801 3.450 . 0 0 "[ . 1 . 2]" 1
1086 1 84 GLN HA 1 84 GLN QE 3.840 . 5.890 3.069 1.682 3.913 0.108 8 0 "[ . 1 . 2]" 1
1087 1 84 GLN HA 1 84 GLN HG2 2.780 . 3.770 2.774 2.677 2.906 . 0 0 "[ . 1 . 2]" 1
1088 1 84 GLN HA 1 84 GLN QG 2.550 . 3.300 2.700 2.616 2.810 . 0 0 "[ . 1 . 2]" 1
1089 1 84 GLN HA 1 84 GLN HG3 2.780 . 3.770 3.705 3.667 3.775 0.005 8 0 "[ . 1 . 2]" 1
1090 1 84 GLN HA 1 92 VAL MG1 3.690 . 5.580 4.670 4.300 4.879 . 0 0 "[ . 1 . 2]" 1
1091 1 84 GLN HA 1 92 VAL MG2 3.510 . 5.220 2.983 2.695 3.295 . 0 0 "[ . 1 . 2]" 1
1092 1 84 GLN QB 1 84 GLN QE 2.990 . 4.180 2.907 2.222 3.328 . 0 0 "[ . 1 . 2]" 1
1093 1 84 GLN QB 1 92 VAL MG1 4.070 . 6.350 4.849 4.347 5.299 . 0 0 "[ . 1 . 2]" 1
1094 1 84 GLN QB 1 92 VAL MG2 3.710 . 5.620 3.934 3.646 4.386 . 0 0 "[ . 1 . 2]" 1
1095 1 84 GLN HB2 1 84 GLN HE21 3.410 . 5.030 3.947 3.515 4.143 . 0 0 "[ . 1 . 2]" 1
1096 1 84 GLN HB2 1 84 GLN HE22 3.410 . 5.030 5.040 4.851 5.115 0.085 6 0 "[ . 1 . 2]" 1
1097 1 84 GLN HB2 1 85 SER H 2.620 . 3.440 2.533 2.367 2.622 . 0 0 "[ . 1 . 2]" 1
1098 1 84 GLN HB2 1 92 VAL MG2 3.830 . 5.870 4.321 3.958 4.868 . 0 0 "[ . 1 . 2]" 1
1099 1 84 GLN HB3 1 84 GLN HE21 3.410 . 5.030 3.182 2.277 3.852 . 0 0 "[ . 1 . 2]" 1
1100 1 84 GLN HB3 1 84 GLN HE22 3.410 . 5.030 3.944 3.517 4.325 . 0 0 "[ . 1 . 2]" 1
1101 1 84 GLN HB3 1 85 SER H 2.620 . 3.440 3.332 3.263 3.460 0.020 17 0 "[ . 1 . 2]" 1
1102 1 84 GLN HB3 1 92 VAL MG2 3.830 . 5.870 4.532 4.257 4.982 . 0 0 "[ . 1 . 2]" 1
1103 1 84 GLN QE 1 92 VAL MG1 3.990 . 6.190 3.388 2.404 4.305 . 0 0 "[ . 1 . 2]" 1
1104 1 84 GLN QG 1 92 VAL MG1 3.810 . 5.820 3.157 2.593 3.723 . 0 0 "[ . 1 . 2]" 1
1105 1 84 GLN QG 1 92 VAL MG2 3.160 . 4.530 2.511 2.116 3.175 . 0 0 "[ . 1 . 2]" 1
1106 1 84 GLN HG2 1 85 SER H 3.340 . 4.880 4.484 4.346 4.577 . 0 0 "[ . 1 . 2]" 1
1107 1 84 GLN HG2 1 92 VAL MG1 3.870 . 5.940 3.277 2.677 3.868 . 0 0 "[ . 1 . 2]" 1
1108 1 84 GLN HG2 1 92 VAL MG2 3.260 . 4.720 2.541 2.134 3.237 . 0 0 "[ . 1 . 2]" 1
1109 1 84 GLN HG3 1 85 SER H 3.340 . 4.880 4.834 4.653 4.911 0.031 3 0 "[ . 1 . 2]" 1
1110 1 84 GLN HG3 1 92 VAL MG1 3.870 . 5.940 4.134 3.472 4.851 . 0 0 "[ . 1 . 2]" 1
1111 1 84 GLN HG3 1 92 VAL MG2 3.260 . 4.720 3.937 3.468 4.595 . 0 0 "[ . 1 . 2]" 1
1112 1 85 SER H 1 86 ARG H 2.440 . 3.080 2.732 2.632 2.863 . 0 0 "[ . 1 . 2]" 1
1113 1 85 SER H 1 86 ARG QB 3.490 . 5.190 4.554 4.197 4.858 . 0 0 "[ . 1 . 2]" 1
1114 1 85 SER H 1 87 GLY H 2.870 . 3.950 3.909 3.777 3.990 0.040 3 0 "[ . 1 . 2]" 1
1115 1 85 SER HA 1 86 ARG H 2.640 . 3.480 3.531 3.502 3.555 0.075 6 0 "[ . 1 . 2]" 1
1116 1 85 SER QB 1 86 ARG QG 3.990 . 6.180 3.784 2.906 4.914 . 0 0 "[ . 1 . 2]" 1
1117 1 86 ARG H 1 86 ARG HB2 2.660 . 3.520 2.215 1.954 2.455 . 0 0 "[ . 1 . 2]" 1
1118 1 86 ARG H 1 86 ARG QB 2.570 . 3.350 2.184 1.937 2.418 . 0 0 "[ . 1 . 2]" 1
1119 1 86 ARG H 1 86 ARG HB3 2.660 . 3.520 3.370 2.698 3.631 0.111 13 0 "[ . 1 . 2]" 1
1120 1 86 ARG H 1 86 ARG HD2 3.320 . 4.850 4.296 2.466 4.981 0.131 11 0 "[ . 1 . 2]" 1
1121 1 86 ARG H 1 86 ARG HD3 3.320 . 4.850 4.633 3.729 5.561 0.711 8 1 "[ . + 1 . 2]" 1
1122 1 86 ARG H 1 86 ARG HG2 2.890 . 3.980 3.208 2.435 4.134 0.154 6 0 "[ . 1 . 2]" 1
1123 1 86 ARG H 1 86 ARG QG 2.750 . 3.700 3.033 2.406 3.722 0.022 18 0 "[ . 1 . 2]" 1
1124 1 86 ARG H 1 86 ARG HG3 2.890 . 3.980 3.961 3.390 4.318 0.338 16 0 "[ . 1 . 2]" 1
1125 1 86 ARG H 1 87 GLY H 2.460 . 3.120 2.454 2.228 2.580 . 0 0 "[ . 1 . 2]" 1
1126 1 86 ARG H 1 88 ASP H 2.800 . 3.800 3.782 3.635 3.893 0.093 7 0 "[ . 1 . 2]" 1
1127 1 86 ARG HA 1 86 ARG HD2 3.110 . 4.420 2.939 1.868 4.198 . 0 0 "[ . 1 . 2]" 1
1128 1 86 ARG HA 1 86 ARG QD 3.030 . 4.260 2.448 1.755 3.387 0.045 12 0 "[ . 1 . 2]" 1
1129 1 86 ARG HA 1 86 ARG HD3 3.110 . 4.420 3.134 1.765 4.067 0.035 12 0 "[ . 1 . 2]" 1
1130 1 86 ARG HA 1 86 ARG HG2 2.710 . 3.620 2.811 2.185 3.634 0.014 20 0 "[ . 1 . 2]" 1
1131 1 86 ARG HA 1 86 ARG QG 2.610 . 3.420 2.571 2.163 2.979 . 0 0 "[ . 1 . 2]" 1
1132 1 86 ARG HA 1 86 ARG HG3 2.710 . 3.620 3.459 2.381 3.722 0.102 9 0 "[ . 1 . 2]" 1
1133 1 86 ARG QB 1 88 ASP H 3.370 . 4.940 2.916 2.437 3.465 . 0 0 "[ . 1 . 2]" 1
1134 1 86 ARG QB 1 88 ASP QB 4.060 . 6.320 2.850 2.383 3.523 . 0 0 "[ . 1 . 2]" 1
1135 1 86 ARG HB2 1 87 GLY H 3.430 . 5.060 3.431 3.214 3.884 . 0 0 "[ . 1 . 2]" 1
1136 1 86 ARG HB3 1 87 GLY H 3.430 . 5.060 3.800 3.221 4.095 . 0 0 "[ . 1 . 2]" 1
1137 1 86 ARG HG2 1 87 GLY H 3.900 . 6.000 4.937 4.489 5.600 . 0 0 "[ . 1 . 2]" 1
1138 1 86 ARG HG3 1 87 GLY H 3.900 . 6.000 5.441 5.251 5.567 . 0 0 "[ . 1 . 2]" 1
1139 1 87 GLY H 1 88 ASP H 2.390 . 2.980 2.471 2.333 2.629 . 0 0 "[ . 1 . 2]" 1
1140 1 87 GLY H 1 88 ASP QB 3.760 . 5.730 4.341 4.163 4.487 . 0 0 "[ . 1 . 2]" 1
1141 1 87 GLY HA2 1 88 ASP H 2.580 . 3.370 2.990 2.803 3.157 . 0 0 "[ . 1 . 2]" 1
1142 1 87 GLY HA3 1 88 ASP H 2.580 . 3.370 3.445 3.375 3.503 0.133 7 0 "[ . 1 . 2]" 1
1143 1 88 ASP H 1 88 ASP HB2 2.690 . 3.590 2.481 2.240 2.882 . 0 0 "[ . 1 . 2]" 1
1144 1 88 ASP H 1 88 ASP HB3 2.690 . 3.590 3.202 2.661 3.638 0.048 11 0 "[ . 1 . 2]" 1
1145 1 88 ASP H 1 89 GLN H 2.760 . 3.730 3.865 3.779 3.988 0.258 2 0 "[ . 1 . 2]" 1
1146 1 88 ASP HA 1 90 GLN H 3.030 . 4.270 3.590 3.465 3.755 . 0 0 "[ . 1 . 2]" 1
1147 1 88 ASP QB 1 91 VAL H 3.200 . 4.600 2.985 2.448 3.550 . 0 0 "[ . 1 . 2]" 1
1148 1 88 ASP QB 1 91 VAL HB 2.850 . 3.910 2.520 1.949 2.806 . 0 0 "[ . 1 . 2]" 1
1149 1 88 ASP QB 1 91 VAL MG2 3.890 . 5.990 2.460 1.887 3.259 . 0 0 "[ . 1 . 2]" 1
1150 1 88 ASP QB 1 92 VAL MG2 4.060 . 6.320 3.628 3.355 3.878 . 0 0 "[ . 1 . 2]" 1
1151 1 88 ASP HB2 1 89 GLN H 3.340 . 4.880 4.553 4.507 4.596 . 0 0 "[ . 1 . 2]" 1
1152 1 88 ASP HB2 1 91 VAL H 3.430 . 5.060 4.395 3.888 4.893 . 0 0 "[ . 1 . 2]" 1
1153 1 88 ASP HB2 1 91 VAL HB 3.020 . 4.240 3.614 2.782 4.301 0.061 18 0 "[ . 1 . 2]" 1
1154 1 88 ASP HB3 1 89 GLN H 3.340 . 4.880 4.210 4.006 4.395 . 0 0 "[ . 1 . 2]" 1
1155 1 88 ASP HB3 1 91 VAL H 3.430 . 5.060 3.042 2.474 3.659 . 0 0 "[ . 1 . 2]" 1
1156 1 88 ASP HB3 1 91 VAL HB 3.020 . 4.240 2.607 1.987 3.013 . 0 0 "[ . 1 . 2]" 1
1157 1 89 GLN H 1 89 GLN HB2 2.620 . 3.440 2.414 2.268 2.521 . 0 0 "[ . 1 . 2]" 1
1158 1 89 GLN H 1 89 GLN QB 2.510 . 3.220 2.375 2.241 2.470 . 0 0 "[ . 1 . 2]" 1
1159 1 89 GLN H 1 89 GLN HB3 2.620 . 3.440 3.531 3.502 3.554 0.114 11 0 "[ . 1 . 2]" 1
1160 1 89 GLN H 1 89 GLN HG2 2.660 . 3.520 2.253 2.029 3.633 0.113 5 0 "[ . 1 . 2]" 1
1161 1 89 GLN H 1 89 GLN HG3 2.660 . 3.520 3.576 3.540 3.619 0.099 5 0 "[ . 1 . 2]" 1
1162 1 89 GLN H 1 90 GLN H 2.580 . 3.370 2.743 2.641 2.874 . 0 0 "[ . 1 . 2]" 1
1163 1 89 GLN HA 1 89 GLN HE21 3.450 . 5.100 3.020 2.220 4.657 . 0 0 "[ . 1 . 2]" 1
1164 1 89 GLN HA 1 89 GLN QE 3.210 . 4.620 2.825 2.174 4.223 . 0 0 "[ . 1 . 2]" 1
1165 1 89 GLN HA 1 89 GLN HE22 3.450 . 5.100 3.501 3.004 4.834 . 0 0 "[ . 1 . 2]" 1
1166 1 89 GLN HA 1 89 GLN HG2 2.780 . 3.770 3.046 2.718 3.668 . 0 0 "[ . 1 . 2]" 1
1167 1 89 GLN HA 1 89 GLN QG 2.680 . 3.570 2.866 2.470 3.037 . 0 0 "[ . 1 . 2]" 1
1168 1 89 GLN HA 1 89 GLN HG3 2.780 . 3.770 3.653 2.510 3.754 . 0 0 "[ . 1 . 2]" 1
1169 1 89 GLN HA 1 91 VAL H 3.050 . 4.310 4.377 4.320 4.461 0.151 20 0 "[ . 1 . 2]" 1
1170 1 89 GLN HA 1 92 VAL H 2.710 . 3.620 3.398 3.154 3.637 0.017 20 0 "[ . 1 . 2]" 1
1171 1 89 GLN HA 1 92 VAL HB 2.530 . 3.260 2.668 2.225 3.035 . 0 0 "[ . 1 . 2]" 1
1172 1 89 GLN HA 1 92 VAL MG1 3.520 . 5.250 3.931 3.583 4.245 . 0 0 "[ . 1 . 2]" 1
1173 1 89 GLN HA 1 92 VAL MG2 3.540 . 5.290 2.593 2.255 2.958 . 0 0 "[ . 1 . 2]" 1
1174 1 89 GLN QB 1 89 GLN QG 2.080 . 2.370 1.991 1.977 2.007 . 0 0 "[ . 1 . 2]" 1
1175 1 89 GLN HB2 1 89 GLN HG2 2.390 . 2.980 2.438 2.387 2.523 . 0 0 "[ . 1 . 2]" 1
1176 1 89 GLN HB2 1 89 GLN HG3 2.390 . 2.980 2.440 2.339 3.000 0.020 5 0 "[ . 1 . 2]" 1
1177 1 89 GLN HB2 1 90 GLN H 2.660 . 3.520 2.672 2.533 2.889 . 0 0 "[ . 1 . 2]" 1
1178 1 89 GLN HB3 1 89 GLN HG2 2.390 . 2.980 2.974 2.449 3.005 0.025 13 0 "[ . 1 . 2]" 1
1179 1 89 GLN HB3 1 89 GLN HG3 2.390 . 2.980 2.436 2.385 2.517 . 0 0 "[ . 1 . 2]" 1
1180 1 89 GLN HB3 1 90 GLN H 2.660 . 3.520 3.618 3.554 3.706 0.186 7 0 "[ . 1 . 2]" 1
1181 1 89 GLN QE 1 93 LYS QD 4.590 . 7.380 6.462 5.144 7.373 . 0 0 "[ . 1 . 2]" 1
1182 1 89 GLN QE 1 93 LYS QE 4.770 . 7.740 5.801 3.759 6.569 . 0 0 "[ . 1 . 2]" 1
1183 1 89 GLN QG 1 90 GLN H 3.590 . 5.390 4.114 3.924 4.593 . 0 0 "[ . 1 . 2]" 1
1184 1 89 GLN QG 1 92 VAL MG2 3.970 . 6.140 4.393 3.592 4.867 . 0 0 "[ . 1 . 2]" 1
1185 1 89 GLN HG2 1 90 GLN H 3.680 . 5.570 4.389 4.128 5.154 . 0 0 "[ . 1 . 2]" 1
1186 1 89 GLN HG2 1 92 VAL MG2 4.350 . 6.910 4.702 4.138 5.189 . 0 0 "[ . 1 . 2]" 1
1187 1 89 GLN HG3 1 90 GLN H 3.680 . 5.570 4.987 4.879 5.157 . 0 0 "[ . 1 . 2]" 1
1188 1 89 GLN HG3 1 92 VAL MG2 4.350 . 6.910 5.408 3.681 5.911 . 0 0 "[ . 1 . 2]" 1
1189 1 90 GLN H 1 90 GLN HB2 2.440 . 3.080 2.539 2.413 2.630 . 0 0 "[ . 1 . 2]" 1
1190 1 90 GLN H 1 90 GLN HB3 2.440 . 3.080 2.532 2.427 2.652 . 0 0 "[ . 1 . 2]" 1
1191 1 90 GLN H 1 90 GLN QG 3.190 . 4.580 3.968 3.953 3.982 . 0 0 "[ . 1 . 2]" 1
1192 1 90 GLN H 1 91 VAL H 2.490 . 3.190 2.780 2.647 2.839 . 0 0 "[ . 1 . 2]" 1
1193 1 90 GLN H 1 91 VAL MG2 3.830 . 5.870 4.226 3.985 4.473 . 0 0 "[ . 1 . 2]" 1
1194 1 90 GLN H 1 92 VAL H 3.070 . 4.340 4.154 4.004 4.253 . 0 0 "[ . 1 . 2]" 1
1195 1 90 GLN H 1 93 LYS H 3.470 . 5.140 4.859 4.699 4.985 . 0 0 "[ . 1 . 2]" 1
1196 1 90 GLN HA 1 92 VAL H 3.160 . 4.520 4.491 4.407 4.550 0.030 17 0 "[ . 1 . 2]" 1
1197 1 90 GLN HA 1 93 LYS QB 3.380 . 4.970 3.069 2.683 3.342 . 0 0 "[ . 1 . 2]" 1
1198 1 90 GLN HA 1 93 LYS QE 4.030 . 6.270 3.230 1.961 5.917 . 0 0 "[ . 1 . 2]" 1
1199 1 90 GLN QB 1 91 VAL H 2.700 . 3.600 2.499 2.425 2.625 . 0 0 "[ . 1 . 2]" 1
1200 1 90 GLN QB 1 91 VAL MG2 4.160 . 6.520 3.034 2.917 3.311 . 0 0 "[ . 1 . 2]" 1
1201 1 90 GLN HB2 1 90 GLN HE21 4.310 . 6.820 3.491 1.869 4.508 . 0 0 "[ . 1 . 2]" 1
1202 1 90 GLN HB2 1 90 GLN HE22 4.310 . 6.820 4.242 3.513 4.819 . 0 0 "[ . 1 . 2]" 1
1203 1 90 GLN HB2 1 91 VAL H 2.840 . 3.880 3.856 3.743 3.909 0.029 13 0 "[ . 1 . 2]" 1
1204 1 90 GLN HB2 1 91 VAL MG2 4.320 . 6.840 4.613 4.491 4.896 . 0 0 "[ . 1 . 2]" 1
1205 1 90 GLN HB3 1 90 GLN HE21 4.310 . 6.820 3.684 1.860 4.481 . 0 0 "[ . 1 . 2]" 1
1206 1 90 GLN HB3 1 90 GLN HE22 4.310 . 6.820 4.260 3.501 4.748 . 0 0 "[ . 1 . 2]" 1
1207 1 90 GLN HB3 1 91 VAL H 2.840 . 3.880 2.532 2.454 2.668 . 0 0 "[ . 1 . 2]" 1
1208 1 90 GLN HB3 1 91 VAL MG2 4.320 . 6.840 3.077 2.955 3.367 . 0 0 "[ . 1 . 2]" 1
1209 1 90 GLN QG 1 91 VAL H 3.670 . 5.550 3.510 3.274 3.711 . 0 0 "[ . 1 . 2]" 1
1210 1 91 VAL H 1 91 VAL HB 2.460 . 3.120 2.525 2.445 2.590 . 0 0 "[ . 1 . 2]" 1
1211 1 91 VAL H 1 91 VAL MG1 3.290 . 4.790 3.777 3.762 3.789 . 0 0 "[ . 1 . 2]" 1
1212 1 91 VAL H 1 91 VAL MG2 2.900 . 4.000 2.149 2.016 2.292 . 0 0 "[ . 1 . 2]" 1
1213 1 91 VAL H 1 92 VAL H 2.490 . 3.190 2.568 2.475 2.652 . 0 0 "[ . 1 . 2]" 1
1214 1 91 VAL HA 1 94 GLU H 2.600 . 3.410 3.352 3.244 3.448 0.038 14 0 "[ . 1 . 2]" 1
1215 1 91 VAL HA 1 94 GLU HB2 2.800 . 3.800 2.520 2.368 2.689 . 0 0 "[ . 1 . 2]" 1
1216 1 91 VAL HA 1 94 GLU HB3 3.030 . 4.270 4.092 3.879 4.287 0.017 2 0 "[ . 1 . 2]" 1
1217 1 91 VAL HA 1 94 GLU HG2 3.120 . 4.450 4.200 3.322 4.545 0.095 20 0 "[ . 1 . 2]" 1
1218 1 91 VAL HA 1 94 GLU QG 3.020 . 4.240 2.951 2.664 3.292 . 0 0 "[ . 1 . 2]" 1
1219 1 91 VAL HA 1 94 GLU HG3 3.120 . 4.450 3.034 2.804 3.497 . 0 0 "[ . 1 . 2]" 1
1220 1 91 VAL HB 1 92 VAL H 2.350 . 2.900 2.700 2.587 2.792 . 0 0 "[ . 1 . 2]" 1
1221 1 91 VAL MG1 1 92 VAL H 3.960 . 6.120 3.505 3.336 3.616 . 0 0 "[ . 1 . 2]" 1
1222 1 91 VAL MG1 1 95 LEU H 4.370 . 6.950 3.781 3.594 4.003 . 0 0 "[ . 1 . 2]" 1
1223 1 91 VAL MG2 1 92 VAL H 3.350 . 4.900 3.848 3.732 3.960 . 0 0 "[ . 1 . 2]" 1
1224 1 91 VAL MG2 1 94 GLU H 3.960 . 6.120 5.136 5.031 5.271 . 0 0 "[ . 1 . 2]" 1
1225 1 91 VAL MG2 1 95 LEU H 4.230 . 6.660 5.485 5.248 5.712 . 0 0 "[ . 1 . 2]" 1
1226 1 92 VAL H 1 92 VAL HB 2.530 . 3.260 2.566 2.524 2.597 . 0 0 "[ . 1 . 2]" 1
1227 1 92 VAL H 1 92 VAL MG1 3.160 . 4.530 3.773 3.761 3.784 . 0 0 "[ . 1 . 2]" 1
1228 1 92 VAL H 1 92 VAL MG2 3.000 . 4.210 2.038 1.991 2.125 . 0 0 "[ . 1 . 2]" 1
1229 1 92 VAL H 1 93 LYS H 2.550 . 3.300 2.774 2.735 2.816 . 0 0 "[ . 1 . 2]" 1
1230 1 92 VAL H 1 94 GLU H 3.250 . 4.700 4.141 4.035 4.296 . 0 0 "[ . 1 . 2]" 1
1231 1 92 VAL HB 1 93 LYS H 2.490 . 3.190 2.433 2.314 2.537 . 0 0 "[ . 1 . 2]" 1
1232 1 92 VAL HB 1 93 LYS QB 4.230 . 6.660 4.450 4.299 4.589 . 0 0 "[ . 1 . 2]" 1
1233 1 92 VAL HB 1 93 LYS QE 3.600 . 5.410 4.580 3.695 5.246 . 0 0 "[ . 1 . 2]" 1
1234 1 92 VAL MG1 1 93 LYS H 3.290 . 4.790 3.304 3.225 3.412 . 0 0 "[ . 1 . 2]" 1
1235 1 92 VAL MG1 1 93 LYS HA 3.740 . 5.690 3.327 3.200 3.459 . 0 0 "[ . 1 . 2]" 1
1236 1 92 VAL MG1 1 93 LYS QB 4.770 . 7.750 4.562 4.425 4.728 . 0 0 "[ . 1 . 2]" 1
1237 1 92 VAL MG1 1 94 GLU H 3.940 . 6.080 5.015 4.864 5.139 . 0 0 "[ . 1 . 2]" 1
1238 1 92 VAL MG1 1 95 LEU H 4.410 . 7.020 4.931 4.662 5.107 . 0 0 "[ . 1 . 2]" 1
1239 1 92 VAL MG2 1 93 LYS H 3.450 . 5.110 3.749 3.681 3.834 . 0 0 "[ . 1 . 2]" 1
1240 1 93 LYS H 1 93 LYS QD 4.300 . 6.810 4.055 3.306 4.343 . 0 0 "[ . 1 . 2]" 1
1241 1 93 LYS H 1 93 LYS QE 3.130 . 4.470 3.758 3.296 4.543 0.073 5 0 "[ . 1 . 2]" 1
1242 1 93 LYS H 1 93 LYS HG2 2.710 . 3.620 3.216 2.190 3.579 . 0 0 "[ . 1 . 2]" 1
1243 1 93 LYS H 1 93 LYS HG3 2.710 . 3.620 2.599 2.230 3.696 0.076 12 0 "[ . 1 . 2]" 1
1244 1 93 LYS HA 1 93 LYS QD 3.800 . 5.800 3.557 1.773 4.032 0.027 11 0 "[ . 1 . 2]" 1
1245 1 93 LYS HA 1 93 LYS HG2 2.980 . 4.160 2.574 2.395 3.088 . 0 0 "[ . 1 . 2]" 1
1246 1 93 LYS HA 1 93 LYS QG 2.730 . 3.670 2.471 2.323 2.947 . 0 0 "[ . 1 . 2]" 1
1247 1 93 LYS HA 1 93 LYS HG3 2.980 . 4.160 3.196 2.921 3.761 . 0 0 "[ . 1 . 2]" 1
1248 1 93 LYS QB 1 94 GLU QG 4.360 . 6.930 3.485 3.230 3.694 . 0 0 "[ . 1 . 2]" 1
1249 1 93 LYS QB 1 97 VAL MG2 4.510 . 7.220 3.826 3.447 4.200 . 0 0 "[ . 1 . 2]" 1
1250 1 93 LYS QD 1 94 GLU H 4.340 . 6.880 5.187 4.768 5.544 . 0 0 "[ . 1 . 2]" 1
1251 1 93 LYS QG 1 94 GLU H 4.340 . 6.880 4.156 4.000 4.259 . 0 0 "[ . 1 . 2]" 1
1252 1 94 GLU H 1 94 GLU HB2 2.510 . 3.230 2.401 2.254 2.498 . 0 0 "[ . 1 . 2]" 1
1253 1 94 GLU H 1 94 GLU HB3 2.620 . 3.440 3.555 3.504 3.587 0.147 18 0 "[ . 1 . 2]" 1
1254 1 94 GLU H 1 94 GLU HG2 2.570 . 3.340 2.941 2.308 3.363 0.023 13 0 "[ . 1 . 2]" 1
1255 1 94 GLU H 1 94 GLU HG3 2.570 . 3.340 2.777 2.184 3.530 0.190 11 0 "[ . 1 . 2]" 1
1256 1 94 GLU H 1 95 LEU H 2.620 . 3.440 2.741 2.601 2.822 . 0 0 "[ . 1 . 2]" 1
1257 1 94 GLU HA 1 94 GLU HG2 2.710 . 3.620 2.542 2.367 2.777 . 0 0 "[ . 1 . 2]" 1
1258 1 94 GLU HA 1 94 GLU QG 2.580 . 3.370 2.471 2.314 2.703 . 0 0 "[ . 1 . 2]" 1
1259 1 94 GLU HA 1 94 GLU HG3 2.710 . 3.620 3.389 3.096 3.715 0.095 19 0 "[ . 1 . 2]" 1
1260 1 94 GLU HA 1 97 VAL H 2.760 . 3.730 3.718 3.561 3.804 0.074 2 0 "[ . 1 . 2]" 1
1261 1 94 GLU HA 1 97 VAL MG1 3.720 . 5.650 4.715 4.416 4.959 . 0 0 "[ . 1 . 2]" 1
1262 1 94 GLU HA 1 97 VAL MG2 3.270 . 4.750 2.846 2.617 3.146 . 0 0 "[ . 1 . 2]" 1
1263 1 94 GLU HB3 1 95 LEU H 2.780 . 3.770 3.398 3.258 3.541 . 0 0 "[ . 1 . 2]" 1
1264 1 95 LEU H 1 95 LEU HB2 2.710 . 3.620 2.363 2.255 2.502 . 0 0 "[ . 1 . 2]" 1
1265 1 95 LEU H 1 95 LEU HB3 2.710 . 3.620 3.568 3.531 3.599 . 0 0 "[ . 1 . 2]" 1
1266 1 95 LEU H 1 95 LEU MD1 3.380 . 4.970 3.684 3.464 3.768 . 0 0 "[ . 1 . 2]" 1
1267 1 95 LEU H 1 95 LEU MD2 3.490 . 5.180 3.504 3.153 3.722 . 0 0 "[ . 1 . 2]" 1
1268 1 95 LEU H 1 95 LEU HG 2.910 . 4.020 2.528 2.263 2.770 . 0 0 "[ . 1 . 2]" 1
1269 1 95 LEU HA 1 95 LEU MD1 3.580 . 5.360 3.823 3.793 3.877 . 0 0 "[ . 1 . 2]" 1
1270 1 95 LEU HA 1 95 LEU MD2 2.930 . 4.070 1.922 1.822 2.064 . 0 0 "[ . 1 . 2]" 1
1271 1 95 LEU HA 1 98 PHE H 2.640 . 3.480 3.368 3.149 3.555 0.075 6 0 "[ . 1 . 2]" 1
1272 1 95 LEU HA 1 98 PHE QD 4.030 . 6.260 1.965 1.731 3.944 0.069 13 0 "[ . 1 . 2]" 1
1273 1 95 LEU QB 1 96 GLN H 2.650 . 3.510 2.734 2.497 2.838 . 0 0 "[ . 1 . 2]" 1
1274 1 95 LEU HB2 1 96 GLN H 2.940 . 4.090 2.823 2.557 2.964 . 0 0 "[ . 1 . 2]" 1
1275 1 95 LEU HB3 1 96 GLN H 2.940 . 4.090 3.666 3.492 3.761 . 0 0 "[ . 1 . 2]" 1
1276 1 95 LEU MD1 1 96 GLN H 3.900 . 6.010 4.719 4.392 4.848 . 0 0 "[ . 1 . 2]" 1
1277 1 95 LEU MD2 1 96 GLN H 3.780 . 5.760 4.681 4.591 4.734 . 0 0 "[ . 1 . 2]" 1
1278 1 95 LEU MD2 1 98 PHE QB 3.910 . 6.030 3.541 3.242 3.921 . 0 0 "[ . 1 . 2]" 1
1279 1 95 LEU MD2 1 98 PHE QD 5.020 . 8.250 2.595 1.792 4.366 . 0 0 "[ . 1 . 2]" 1
1280 1 96 GLN H 1 96 GLN QB 2.670 . 3.540 2.295 2.215 2.430 . 0 0 "[ . 1 . 2]" 1
1281 1 96 GLN H 1 97 VAL H 2.530 . 3.260 2.737 2.652 2.776 . 0 0 "[ . 1 . 2]" 1
1282 1 96 GLN H 1 97 VAL MG1 4.410 . 7.020 5.994 5.928 6.022 . 0 0 "[ . 1 . 2]" 1
1283 1 96 GLN QB 1 97 VAL MG1 4.540 . 7.290 5.235 5.055 5.382 . 0 0 "[ . 1 . 2]" 1
1284 1 97 VAL H 1 97 VAL HB 2.440 . 3.080 2.558 2.499 2.611 . 0 0 "[ . 1 . 2]" 1
1285 1 97 VAL H 1 97 VAL MG1 3.220 . 4.640 3.775 3.761 3.782 . 0 0 "[ . 1 . 2]" 1
1286 1 97 VAL H 1 97 VAL MG2 2.910 . 4.030 2.056 1.970 2.144 . 0 0 "[ . 1 . 2]" 1
1287 1 97 VAL HA 1 100 ARG HG3 3.090 . 4.380 2.539 1.784 3.048 0.016 9 0 "[ . 1 . 2]" 1
1288 1 97 VAL HB 1 98 PHE H 2.550 . 3.300 2.603 2.489 2.721 . 0 0 "[ . 1 . 2]" 1
1289 1 97 VAL MG1 1 98 PHE H 3.270 . 4.750 3.443 3.208 3.588 . 0 0 "[ . 1 . 2]" 1
1290 1 97 VAL MG1 1 98 PHE HA 3.900 . 6.010 3.433 3.102 3.556 . 0 0 "[ . 1 . 2]" 1
1291 1 97 VAL MG1 1 98 PHE QD 5.470 . 9.150 4.187 3.097 4.611 . 0 0 "[ . 1 . 2]" 1
1292 1 97 VAL MG1 1 101 ARG QD 4.510 . 7.220 4.102 1.909 5.840 . 0 0 "[ . 1 . 2]" 1
1293 1 97 VAL MG2 1 98 PHE H 3.330 . 4.860 3.813 3.744 3.890 . 0 0 "[ . 1 . 2]" 1
1294 1 98 PHE H 1 98 PHE HB2 2.800 . 3.800 2.444 2.300 2.526 . 0 0 "[ . 1 . 2]" 1
1295 1 98 PHE H 1 98 PHE QB 2.660 . 3.520 2.406 2.273 2.479 . 0 0 "[ . 1 . 2]" 1
1296 1 98 PHE H 1 98 PHE HB3 2.800 . 3.800 3.595 3.555 3.608 . 0 0 "[ . 1 . 2]" 1
1297 1 98 PHE H 1 99 LEU H 2.530 . 3.260 2.610 2.557 2.725 . 0 0 "[ . 1 . 2]" 1
1298 1 98 PHE HA 1 100 ARG H 2.980 . 4.160 4.165 4.036 4.253 0.093 14 0 "[ . 1 . 2]" 1
1299 1 98 PHE QB 1 99 LEU H 2.790 . 3.790 2.657 2.492 2.777 . 0 0 "[ . 1 . 2]" 1
1300 1 98 PHE HB2 1 99 LEU H 3.030 . 4.270 2.727 2.549 2.857 . 0 0 "[ . 1 . 2]" 1
1301 1 98 PHE HB3 1 99 LEU H 3.030 . 4.270 3.676 3.504 3.831 . 0 0 "[ . 1 . 2]" 1
1302 1 98 PHE QD 1 99 LEU H 4.850 . 7.910 4.249 3.998 4.449 . 0 0 "[ . 1 . 2]" 1
1303 1 99 LEU H 1 99 LEU HB2 2.660 . 3.520 2.369 2.157 2.476 . 0 0 "[ . 1 . 2]" 1
1304 1 99 LEU H 1 99 LEU MD1 3.470 . 5.150 3.681 3.474 4.050 . 0 0 "[ . 1 . 2]" 1
1305 1 99 LEU H 1 99 LEU MD2 3.400 . 5.000 3.167 1.994 4.214 . 0 0 "[ . 1 . 2]" 1
1306 1 99 LEU H 1 99 LEU HG 3.520 . 5.240 3.080 2.254 4.503 . 0 0 "[ . 1 . 2]" 1
1307 1 99 LEU HA 1 99 LEU MD1 3.720 . 5.650 3.075 1.837 3.865 . 0 0 "[ . 1 . 2]" 1
1308 1 99 LEU HA 1 99 LEU MD2 3.200 . 4.610 2.343 1.930 3.873 . 0 0 "[ . 1 . 2]" 1
1309 1 99 LEU HA 1 99 LEU HG 2.800 . 3.800 3.206 2.876 3.678 . 0 0 "[ . 1 . 2]" 1
1310 1 99 LEU MD1 1 100 ARG H 3.980 . 6.160 4.644 4.529 4.735 . 0 0 "[ . 1 . 2]" 1
1311 1 99 LEU MD2 1 100 ARG H 4.410 . 7.020 4.548 4.050 4.746 . 0 0 "[ . 1 . 2]" 1
1312 1 100 ARG H 1 100 ARG HB2 2.580 . 3.370 2.682 2.543 2.852 . 0 0 "[ . 1 . 2]" 1
1313 1 100 ARG H 1 100 ARG HB3 2.640 . 3.480 3.574 3.539 3.594 0.114 6 0 "[ . 1 . 2]" 1
1314 1 100 ARG H 1 100 ARG HG2 2.800 . 3.800 2.402 1.789 3.004 0.011 16 0 "[ . 1 . 2]" 1
1315 1 100 ARG H 1 101 ARG H 2.530 . 3.260 2.540 2.405 2.675 . 0 0 "[ . 1 . 2]" 1
1316 1 100 ARG H 1 102 LEU H 2.850 . 3.910 3.934 3.798 4.035 0.125 2 0 "[ . 1 . 2]" 1
1317 1 100 ARG HA 1 101 ARG H 2.660 . 3.520 3.507 3.472 3.534 0.014 9 0 "[ . 1 . 2]" 1
1318 1 100 ARG HB2 1 101 ARG H 2.690 . 3.590 2.318 2.074 2.487 . 0 0 "[ . 1 . 2]" 1
1319 1 100 ARG HB3 1 101 ARG H 2.760 . 3.730 3.619 3.326 3.763 0.033 20 0 "[ . 1 . 2]" 1
1320 1 100 ARG HG2 1 101 ARG H 3.020 . 4.240 4.217 3.569 4.576 0.336 8 0 "[ . 1 . 2]" 1
1321 1 100 ARG HG3 1 101 ARG H 2.850 . 3.910 3.898 3.408 4.329 0.419 11 0 "[ . 1 . 2]" 1
1322 1 101 ARG H 1 102 LEU H 2.570 . 3.340 2.718 2.506 2.898 . 0 0 "[ . 1 . 2]" 1
1323 1 101 ARG HA 1 104 ARG QB 3.040 . 4.290 3.332 2.708 4.162 . 0 0 "[ . 1 . 2]" 1
1324 1 101 ARG HA 1 104 ARG QG 2.930 . 4.070 2.926 2.240 3.822 . 0 0 "[ . 1 . 2]" 1
1325 1 102 LEU H 1 102 LEU HB2 2.580 . 3.370 2.382 2.140 2.617 . 0 0 "[ . 1 . 2]" 1
1326 1 102 LEU H 1 102 LEU HB3 2.580 . 3.370 2.672 2.445 3.517 0.147 16 0 "[ . 1 . 2]" 1
1327 1 102 LEU H 1 102 LEU MD1 3.990 . 6.190 4.160 3.948 4.315 . 0 0 "[ . 1 . 2]" 1
1328 1 102 LEU H 1 102 LEU MD2 3.650 . 5.510 4.012 3.552 4.313 . 0 0 "[ . 1 . 2]" 1
1329 1 102 LEU H 1 102 LEU HG 3.120 . 4.450 4.408 2.856 4.536 0.086 19 0 "[ . 1 . 2]" 1
1330 1 102 LEU HA 1 102 LEU MD1 3.220 . 4.640 2.500 1.985 3.726 . 0 0 "[ . 1 . 2]" 1
1331 1 102 LEU HA 1 102 LEU MD2 3.180 . 4.570 2.876 1.763 3.902 0.027 16 0 "[ . 1 . 2]" 1
1332 1 103 ALA H 1 104 ARG H 2.460 . 3.120 2.691 2.540 2.802 . 0 0 "[ . 1 . 2]" 1
1333 1 103 ALA HA 1 106 ASP H 2.530 . 3.260 3.273 3.083 3.349 0.089 9 0 "[ . 1 . 2]" 1
1334 1 103 ALA HA 1 106 ASP HB2 2.670 . 3.550 3.207 2.764 3.560 0.010 17 0 "[ . 1 . 2]" 1
1335 1 103 ALA HA 1 106 ASP HB3 2.670 . 3.550 2.531 1.992 3.018 . 0 0 "[ . 1 . 2]" 1
1336 1 103 ALA MB 1 104 ARG H 2.970 . 4.140 2.721 2.607 2.808 . 0 0 "[ . 1 . 2]" 1
1337 1 104 ARG H 1 104 ARG QD 3.740 . 5.690 3.853 3.499 4.147 . 0 0 "[ . 1 . 2]" 1
1338 1 104 ARG H 1 104 ARG HG2 2.690 . 3.590 3.367 3.070 3.637 0.047 17 0 "[ . 1 . 2]" 1
1339 1 104 ARG H 1 104 ARG QG 2.510 . 3.230 2.199 1.914 2.469 . 0 0 "[ . 1 . 2]" 1
1340 1 104 ARG H 1 104 ARG HG3 2.690 . 3.590 2.230 1.931 2.512 . 0 0 "[ . 1 . 2]" 1
1341 1 104 ARG HA 1 104 ARG QD 3.420 . 5.050 4.042 3.872 4.231 . 0 0 "[ . 1 . 2]" 1
1342 1 104 ARG HA 1 104 ARG HG2 2.510 . 3.230 2.532 2.359 2.646 . 0 0 "[ . 1 . 2]" 1
1343 1 104 ARG HA 1 104 ARG HG3 2.510 . 3.230 3.114 2.923 3.284 0.054 8 0 "[ . 1 . 2]" 1
1344 1 104 ARG HA 1 107 ALA MB 3.070 . 4.350 2.780 2.259 3.427 . 0 0 "[ . 1 . 2]" 1
1345 1 104 ARG QB 1 105 GLU H 2.830 . 3.860 2.590 2.385 2.863 . 0 0 "[ . 1 . 2]" 1
1346 1 104 ARG QD 1 107 ALA MB 4.850 . 7.900 5.772 5.062 6.562 . 0 0 "[ . 1 . 2]" 1
1347 1 104 ARG QD 1 108 LEU QD 5.500 . 9.200 5.246 4.194 6.761 . 0 0 "[ . 1 . 2]" 1
1348 1 105 GLU H 1 105 GLU HB2 2.510 . 3.230 2.414 2.189 2.660 . 0 0 "[ . 1 . 2]" 1
1349 1 105 GLU H 1 105 GLU HB3 2.580 . 3.370 3.536 3.481 3.571 0.201 1 0 "[ . 1 . 2]" 1
1350 1 105 GLU H 1 105 GLU HG2 2.670 . 3.550 2.643 1.851 3.562 0.012 15 0 "[ . 1 . 2]" 1
1351 1 105 GLU H 1 105 GLU QG 2.550 . 3.310 2.260 1.843 2.712 . 0 0 "[ . 1 . 2]" 1
1352 1 105 GLU H 1 105 GLU HG3 2.670 . 3.550 3.140 2.050 3.639 0.089 6 0 "[ . 1 . 2]" 1
1353 1 105 GLU H 1 106 ASP H 2.440 . 3.080 2.546 2.429 2.678 . 0 0 "[ . 1 . 2]" 1
1354 1 105 GLU HA 1 105 GLU HB2 2.400 . 3.010 3.016 2.988 3.024 0.014 3 0 "[ . 1 . 2]" 1
1355 1 105 GLU HA 1 105 GLU HG2 2.800 . 3.800 2.809 2.385 3.334 . 0 0 "[ . 1 . 2]" 1
1356 1 105 GLU HA 1 105 GLU QG 2.640 . 3.480 2.704 2.316 3.142 . 0 0 "[ . 1 . 2]" 1
1357 1 105 GLU HA 1 105 GLU HG3 2.800 . 3.800 3.556 3.095 3.841 0.041 14 0 "[ . 1 . 2]" 1
1358 1 105 GLU HB2 1 106 ASP H 2.640 . 3.480 2.573 2.395 2.880 . 0 0 "[ . 1 . 2]" 1
1359 1 105 GLU HB3 1 106 ASP H 2.690 . 3.590 3.592 3.424 3.686 0.096 14 0 "[ . 1 . 2]" 1
1360 1 105 GLU QG 1 106 ASP H 3.510 . 5.230 3.995 3.587 4.337 . 0 0 "[ . 1 . 2]" 1
1361 1 105 GLU HG2 1 106 ASP H 3.680 . 5.570 4.473 3.744 4.978 . 0 0 "[ . 1 . 2]" 1
1362 1 105 GLU HG3 1 106 ASP H 3.680 . 5.570 4.641 4.085 5.087 . 0 0 "[ . 1 . 2]" 1
1363 1 106 ASP H 1 106 ASP HB2 2.510 . 3.230 2.455 2.293 2.652 . 0 0 "[ . 1 . 2]" 1
1364 1 106 ASP H 1 106 ASP HB3 2.510 . 3.230 2.568 2.355 2.751 . 0 0 "[ . 1 . 2]" 1
1365 1 106 ASP H 1 107 ALA H 2.390 . 2.980 2.612 2.464 2.749 . 0 0 "[ . 1 . 2]" 1
1366 1 106 ASP H 1 107 ALA MB 3.450 . 5.110 4.262 4.134 4.374 . 0 0 "[ . 1 . 2]" 1
1367 1 106 ASP HA 1 107 ALA H 2.640 . 3.480 3.506 3.483 3.533 0.053 2 0 "[ . 1 . 2]" 1
1368 1 106 ASP HA 1 109 GLU H 2.870 . 3.950 3.668 3.195 4.156 0.206 3 0 "[ . 1 . 2]" 1
1369 1 106 ASP HA 1 109 GLU QB 3.260 . 4.720 4.129 3.017 4.997 0.277 12 0 "[ . 1 . 2]" 1
1370 1 106 ASP QB 1 107 ALA H 2.590 . 3.390 2.430 2.359 2.646 . 0 0 "[ . 1 . 2]" 1
1371 1 106 ASP QB 1 107 ALA MB 4.330 . 6.870 3.771 3.695 3.907 . 0 0 "[ . 1 . 2]" 1
1372 1 106 ASP HB2 1 107 ALA H 2.690 . 3.590 3.717 3.677 3.783 0.193 19 0 "[ . 1 . 2]" 1
1373 1 106 ASP HB2 1 107 ALA MB 4.410 . 7.020 5.204 5.161 5.256 . 0 0 "[ . 1 . 2]" 1
1374 1 106 ASP HB3 1 107 ALA H 2.690 . 3.590 2.464 2.386 2.713 . 0 0 "[ . 1 . 2]" 1
1375 1 106 ASP HB3 1 107 ALA MB 4.410 . 7.020 3.871 3.783 4.042 . 0 0 "[ . 1 . 2]" 1
1376 1 107 ALA H 1 107 ALA HA 2.330 . 2.870 2.786 2.752 2.814 . 0 0 "[ . 1 . 2]" 1
1377 1 107 ALA H 1 107 ALA MB 2.660 . 3.530 2.233 2.206 2.249 . 0 0 "[ . 1 . 2]" 1
1378 1 107 ALA H 1 108 LEU H 2.420 . 3.050 2.773 2.675 2.844 . 0 0 "[ . 1 . 2]" 1
1379 1 107 ALA MB 1 108 LEU H 3.040 . 4.280 2.710 2.338 2.888 . 0 0 "[ . 1 . 2]" 1
1380 1 107 ALA MB 1 108 LEU QD 5.370 . 8.940 3.481 3.064 3.747 . 0 0 "[ . 1 . 2]" 1
1381 1 108 LEU H 1 108 LEU HB2 2.640 . 3.480 2.442 2.366 2.495 . 0 0 "[ . 1 . 2]" 1
1382 1 108 LEU H 1 108 LEU QB 2.450 . 3.100 2.403 2.333 2.449 . 0 0 "[ . 1 . 2]" 1
1383 1 108 LEU H 1 108 LEU HB3 2.640 . 3.480 3.569 3.555 3.587 0.107 12 0 "[ . 1 . 2]" 1
1384 1 108 LEU H 1 108 LEU MD1 3.690 . 5.580 3.645 3.470 3.767 . 0 0 "[ . 1 . 2]" 1
1385 1 108 LEU H 1 108 LEU QD 3.360 . 4.930 3.092 2.999 3.190 . 0 0 "[ . 1 . 2]" 1
1386 1 108 LEU H 1 108 LEU MD2 3.690 . 5.580 3.347 3.204 3.520 . 0 0 "[ . 1 . 2]" 1
1387 1 108 LEU H 1 108 LEU HG 2.440 . 3.080 2.347 2.210 2.536 . 0 0 "[ . 1 . 2]" 1
1388 1 108 LEU HA 1 108 LEU MD1 3.440 . 5.080 3.843 3.801 3.884 . 0 0 "[ . 1 . 2]" 1
1389 1 108 LEU HA 1 108 LEU QD 3.020 . 4.250 1.976 1.884 2.057 . 0 0 "[ . 1 . 2]" 1
1390 1 108 LEU HA 1 108 LEU MD2 3.440 . 5.080 1.982 1.889 2.065 . 0 0 "[ . 1 . 2]" 1
1391 1 108 LEU HA 1 108 LEU HG 2.730 . 3.660 3.081 2.932 3.229 . 0 0 "[ . 1 . 2]" 1
1392 1 108 LEU QB 1 108 LEU HG 2.230 . 2.670 2.348 2.319 2.390 . 0 0 "[ . 1 . 2]" 1
1393 1 108 LEU HB2 1 108 LEU HG 2.330 . 2.870 2.452 2.414 2.513 . 0 0 "[ . 1 . 2]" 1
1394 1 108 LEU HB2 1 109 GLU H 3.050 . 4.310 2.778 2.406 3.151 . 0 0 "[ . 1 . 2]" 1
1395 1 108 LEU HB3 1 108 LEU HG 2.330 . 2.870 2.999 2.994 3.003 0.133 13 0 "[ . 1 . 2]" 1
1396 1 108 LEU HB3 1 109 GLU H 3.050 . 4.310 3.725 3.426 4.035 . 0 0 "[ . 1 . 2]" 1
1397 1 108 LEU HG 1 109 GLU H 3.320 . 4.850 4.422 4.227 4.712 . 0 0 "[ . 1 . 2]" 1
1398 1 109 GLU H 1 109 GLU QB 2.810 . 3.820 2.754 2.334 3.393 . 0 0 "[ . 1 . 2]" 1
1399 1 109 GLU H 1 109 GLU HG2 2.690 . 3.590 3.406 2.461 3.675 0.085 19 0 "[ . 1 . 2]" 1
1400 1 109 GLU H 1 109 GLU QG 2.610 . 3.420 2.580 2.142 2.934 . 0 0 "[ . 1 . 2]" 1
1401 1 109 GLU H 1 109 GLU HG3 2.690 . 3.590 2.804 2.166 3.691 0.101 14 0 "[ . 1 . 2]" 1
1402 1 109 GLU H 1 110 HIS H 2.350 . 2.900 2.490 1.997 3.130 0.230 3 0 "[ . 1 . 2]" 1
1403 1 109 GLU H 1 111 HIS H 2.850 . 3.910 3.817 3.353 4.054 0.144 6 0 "[ . 1 . 2]" 1
1404 1 109 GLU HA 1 109 GLU HG2 2.660 . 3.520 2.588 2.344 2.864 . 0 0 "[ . 1 . 2]" 1
1405 1 109 GLU HA 1 109 GLU QG 2.530 . 3.260 2.488 2.284 2.769 . 0 0 "[ . 1 . 2]" 1
1406 1 109 GLU HA 1 109 GLU HG3 2.660 . 3.520 3.261 3.063 3.745 0.225 15 0 "[ . 1 . 2]" 1
1407 1 109 GLU HA 1 110 HIS H 2.440 . 3.080 3.165 2.586 3.456 0.376 10 0 "[ . 1 . 2]" 1
1408 1 109 GLU QB 1 110 HIS H 3.110 . 4.430 3.170 1.765 3.900 0.025 10 0 "[ . 1 . 2]" 1
1409 1 110 HIS H 1 110 HIS HA 2.370 . 2.940 2.728 2.244 2.952 0.012 9 0 "[ . 1 . 2]" 1
1410 1 110 HIS H 1 110 HIS HB2 2.600 . 3.410 2.805 2.305 3.338 . 0 0 "[ . 1 . 2]" 1
1411 1 110 HIS H 1 110 HIS QB 2.510 . 3.220 2.556 2.201 2.935 . 0 0 "[ . 1 . 2]" 1
1412 1 110 HIS H 1 110 HIS HB3 2.600 . 3.410 3.122 2.372 3.633 0.223 14 0 "[ . 1 . 2]" 1
1413 1 110 HIS H 1 111 HIS H 2.350 . 2.900 2.316 1.750 2.942 0.050 10 0 "[ . 1 . 2]" 1
1414 1 110 HIS HA 1 111 HIS H 2.510 . 3.230 3.118 2.608 3.419 0.189 8 0 "[ . 1 . 2]" 1
1415 1 111 HIS H 1 111 HIS HB2 2.660 . 3.520 2.680 2.091 3.611 0.091 7 0 "[ . 1 . 2]" 1
1416 1 111 HIS H 1 111 HIS QB 2.560 . 3.320 2.415 2.068 2.994 . 0 0 "[ . 1 . 2]" 1
1417 1 111 HIS H 1 111 HIS HB3 2.660 . 3.520 2.928 2.415 3.620 0.100 2 0 "[ . 1 . 2]" 1
1418 1 111 HIS H 1 112 HIS H 2.490 . 3.190 2.764 2.209 3.270 0.080 6 0 "[ . 1 . 2]" 1
1419 1 112 HIS H 1 112 HIS QB 2.810 . 3.830 2.628 2.224 3.235 . 0 0 "[ . 1 . 2]" 1
1420 1 112 HIS H 1 113 HIS H 2.490 . 3.190 2.674 1.958 3.462 0.272 15 0 "[ . 1 . 2]" 1
1421 1 114 HIS H 1 114 HIS QB 2.850 . 3.910 2.615 2.239 3.259 . 0 0 "[ . 1 . 2]" 1
stop_
save_