NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
478360 |
2hfi   |
7227 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2hfi
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 2051
_Distance_constraint_stats_list.Viol_count 1411
_Distance_constraint_stats_list.Viol_total 1627.159
_Distance_constraint_stats_list.Viol_max 0.372
_Distance_constraint_stats_list.Viol_rms 0.0156
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0577
_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 6 LEU 0.332 0.089 17 0 "[ . 1 . 2]"
1 7 LEU 0.875 0.146 8 0 "[ . 1 . 2]"
1 8 GLU 3.661 0.165 6 0 "[ . 1 . 2]"
1 9 MET 1.115 0.149 20 0 "[ . 1 . 2]"
1 10 THR 0.253 0.073 1 0 "[ . 1 . 2]"
1 11 GLU 2.039 0.165 6 0 "[ . 1 . 2]"
1 12 GLN 0.908 0.066 10 0 "[ . 1 . 2]"
1 13 MET 0.409 0.073 1 0 "[ . 1 . 2]"
1 14 ILE 0.518 0.058 11 0 "[ . 1 . 2]"
1 15 GLU 2.012 0.200 10 0 "[ . 1 . 2]"
1 16 VAL 0.934 0.086 4 0 "[ . 1 . 2]"
1 17 ALA 0.012 0.011 3 0 "[ . 1 . 2]"
1 18 GLU 5.115 0.360 2 0 "[ . 1 . 2]"
1 19 LYS 1.359 0.203 14 0 "[ . 1 . 2]"
1 20 GLY 0.639 0.076 13 0 "[ . 1 . 2]"
1 21 ALA 0.435 0.047 18 0 "[ . 1 . 2]"
1 22 ASP 0.738 0.179 6 0 "[ . 1 . 2]"
1 23 ARG 0.831 0.076 13 0 "[ . 1 . 2]"
1 24 TYR 0.240 0.064 10 0 "[ . 1 . 2]"
1 25 GLN 1.033 0.179 6 0 "[ . 1 . 2]"
1 26 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 TYR 0.088 0.048 12 0 "[ . 1 . 2]"
1 36 PHE 0.415 0.052 12 0 "[ . 1 . 2]"
1 37 PHE 0.748 0.245 18 0 "[ . 1 . 2]"
1 38 GLU 2.516 0.245 18 0 "[ . 1 . 2]"
1 39 THR 0.222 0.060 14 0 "[ . 1 . 2]"
1 40 ILE 0.460 0.060 14 0 "[ . 1 . 2]"
1 41 LYS 1.392 0.082 3 0 "[ . 1 . 2]"
1 42 PRO 1.172 0.082 3 0 "[ . 1 . 2]"
1 43 ALA 0.125 0.048 17 0 "[ . 1 . 2]"
1 44 VAL 0.001 0.001 3 0 "[ . 1 . 2]"
1 45 GLU 3.028 0.144 13 0 "[ . 1 . 2]"
1 46 GLU 8.198 0.297 7 0 "[ . 1 . 2]"
1 47 ASN 1.840 0.297 7 0 "[ . 1 . 2]"
1 48 ASP 0.863 0.055 15 0 "[ . 1 . 2]"
1 49 GLU 2.080 0.230 11 0 "[ . 1 . 2]"
1 50 LEU 3.069 0.120 19 0 "[ . 1 . 2]"
1 51 ALA 0.540 0.083 16 0 "[ . 1 . 2]"
1 52 ALA 0.093 0.022 14 0 "[ . 1 . 2]"
1 53 ARG 5.404 0.298 15 0 "[ . 1 . 2]"
1 54 TRP 0.259 0.043 5 0 "[ . 1 . 2]"
1 55 ALA 0.011 0.011 11 0 "[ . 1 . 2]"
1 56 GLU 8.657 0.372 18 0 "[ . 1 . 2]"
1 57 GLY 0.635 0.062 3 0 "[ . 1 . 2]"
1 58 ALA 0.083 0.041 18 0 "[ . 1 . 2]"
1 59 LEU 6.048 0.222 16 0 "[ . 1 . 2]"
1 60 GLU 1.523 0.095 18 0 "[ . 1 . 2]"
1 61 LEU 0.109 0.039 11 0 "[ . 1 . 2]"
1 62 ILE 0.238 0.052 6 0 "[ . 1 . 2]"
1 63 LYS 0.938 0.294 16 0 "[ . 1 . 2]"
1 64 VAL 0.808 0.104 10 0 "[ . 1 . 2]"
1 65 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 LYS 0.246 0.136 14 0 "[ . 1 . 2]"
1 69 TYR 0.123 0.074 16 0 "[ . 1 . 2]"
1 70 VAL 1.109 0.097 13 0 "[ . 1 . 2]"
1 71 HIS 1.431 0.124 1 0 "[ . 1 . 2]"
1 72 LYS 0.072 0.035 16 0 "[ . 1 . 2]"
1 73 GLU 0.664 0.101 6 0 "[ . 1 . 2]"
1 74 GLN 2.740 0.124 1 0 "[ . 1 . 2]"
1 75 ILE 1.079 0.101 14 0 "[ . 1 . 2]"
1 76 GLU 1.330 0.075 20 0 "[ . 1 . 2]"
1 77 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 VAL 0.896 0.101 14 0 "[ . 1 . 2]"
1 79 LYS 0.915 0.083 15 0 "[ . 1 . 2]"
1 80 ASP 1.368 0.313 9 0 "[ . 1 . 2]"
1 81 ASN 0.285 0.065 16 0 "[ . 1 . 2]"
1 82 PHE 0.387 0.073 19 0 "[ . 1 . 2]"
1 83 LEU 1.331 0.119 18 0 "[ . 1 . 2]"
1 84 GLU 0.090 0.038 18 0 "[ . 1 . 2]"
1 85 LEU 0.327 0.057 14 0 "[ . 1 . 2]"
1 86 VAL 0.375 0.057 14 0 "[ . 1 . 2]"
1 87 LEU 0.096 0.033 18 0 "[ . 1 . 2]"
1 88 GLN 0.146 0.059 17 0 "[ . 1 . 2]"
1 89 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 VAL 0.692 0.102 11 0 "[ . 1 . 2]"
1 92 HIS 0.650 0.102 11 0 "[ . 1 . 2]"
1 93 HIS 0.126 0.028 1 0 "[ . 1 . 2]"
1 94 ILE 0.225 0.032 18 0 "[ . 1 . 2]"
1 95 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 LYS 0.016 0.016 6 0 "[ . 1 . 2]"
1 97 LYS 0.004 0.004 7 0 "[ . 1 . 2]"
1 98 ARG 0.158 0.097 18 0 "[ . 1 . 2]"
1 99 PHE 0.374 0.045 12 0 "[ . 1 . 2]"
1 100 LYS 1.250 0.099 7 0 "[ . 1 . 2]"
1 101 ASP 3.826 0.204 18 0 "[ . 1 . 2]"
1 102 ILE 1.510 0.122 14 0 "[ . 1 . 2]"
1 103 THR 0.564 0.077 9 0 "[ . 1 . 2]"
1 104 GLU 4.639 0.165 11 0 "[ . 1 . 2]"
1 105 SER 1.301 0.115 15 0 "[ . 1 . 2]"
1 106 VAL 0.385 0.073 12 0 "[ . 1 . 2]"
1 107 LEU 1.937 0.087 10 0 "[ . 1 . 2]"
1 108 TYR 0.779 0.090 15 0 "[ . 1 . 2]"
1 109 THR 0.242 0.077 12 0 "[ . 1 . 2]"
1 110 LEU 0.406 0.053 2 0 "[ . 1 . 2]"
1 111 HIS 0.890 0.099 2 0 "[ . 1 . 2]"
1 112 ALA 0.921 0.097 11 0 "[ . 1 . 2]"
1 113 VAL 1.740 0.131 8 0 "[ . 1 . 2]"
1 114 LYS 2.453 0.131 8 0 "[ . 1 . 2]"
1 115 ASP 0.729 0.093 4 0 "[ . 1 . 2]"
1 116 GLU 1.993 0.195 4 0 "[ . 1 . 2]"
1 117 ILE 0.178 0.041 18 0 "[ . 1 . 2]"
1 118 ALA 0.194 0.051 1 0 "[ . 1 . 2]"
1 119 ARG 1.745 0.195 4 0 "[ . 1 . 2]"
1 120 GLU 2.175 0.140 3 0 "[ . 1 . 2]"
1 123 ARG 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 7 LEU H 1 8 GLU H 3.480 . 5.170 2.632 2.440 2.894 . 0 0 "[ . 1 . 2]" 1
2 1 7 LEU HB2 1 8 GLU H 2.840 . 3.880 3.707 2.628 3.967 0.087 7 0 "[ . 1 . 2]" 1
3 1 7 LEU HB3 1 8 GLU H 2.840 . 3.880 2.585 2.366 3.257 . 0 0 "[ . 1 . 2]" 1
4 1 8 GLU H 1 8 GLU HB2 2.640 . 3.480 2.775 2.043 3.588 0.108 16 0 "[ . 1 . 2]" 1
5 1 8 GLU H 1 8 GLU HB3 2.640 . 3.480 2.954 2.515 3.571 0.091 7 0 "[ . 1 . 2]" 1
6 1 8 GLU H 1 9 MET H 2.550 . 3.300 2.731 2.545 2.978 . 0 0 "[ . 1 . 2]" 1
7 1 8 GLU H 1 10 THR H 3.320 . 4.850 4.208 3.843 4.397 . 0 0 "[ . 1 . 2]" 1
8 1 7 LEU HA 1 9 MET H 3.210 . 4.630 4.414 4.040 4.642 0.012 20 0 "[ . 1 . 2]" 1
9 1 8 GLU HB2 1 9 MET H 2.890 . 3.980 3.370 2.509 3.926 . 0 0 "[ . 1 . 2]" 1
10 1 8 GLU HB3 1 9 MET H 2.890 . 3.980 3.357 2.313 4.129 0.149 20 0 "[ . 1 . 2]" 1
11 1 7 LEU HA 1 10 THR H 3.200 . 4.600 3.509 3.263 3.715 . 0 0 "[ . 1 . 2]" 1
12 1 8 GLU HA 1 10 THR H 3.230 . 4.670 4.365 4.099 4.655 . 0 0 "[ . 1 . 2]" 1
13 1 9 MET H 1 10 THR H 2.690 . 3.590 2.689 2.529 2.822 . 0 0 "[ . 1 . 2]" 1
14 1 10 THR H 1 10 THR HB 2.820 . 3.840 2.603 2.555 2.660 . 0 0 "[ . 1 . 2]" 1
15 1 10 THR H 1 11 GLU H 2.710 . 3.620 2.639 2.518 2.735 . 0 0 "[ . 1 . 2]" 1
16 1 7 LEU HA 1 11 GLU H 3.090 . 4.380 4.025 3.829 4.211 . 0 0 "[ . 1 . 2]" 1
17 1 10 THR HB 1 11 GLU H 2.580 . 3.370 2.437 2.339 2.646 . 0 0 "[ . 1 . 2]" 1
18 1 11 GLU H 1 11 GLU HB2 2.730 . 3.660 2.415 2.218 2.615 . 0 0 "[ . 1 . 2]" 1
19 1 11 GLU H 1 11 GLU HB3 2.730 . 3.660 3.565 3.509 3.596 . 0 0 "[ . 1 . 2]" 1
20 1 11 GLU H 1 12 GLN H 2.530 . 3.260 2.804 2.656 2.904 . 0 0 "[ . 1 . 2]" 1
21 1 8 GLU HA 1 12 GLN H 3.050 . 4.310 3.827 3.686 4.099 . 0 0 "[ . 1 . 2]" 1
22 1 9 MET HA 1 12 GLN H 3.290 . 4.780 3.588 3.313 3.805 . 0 0 "[ . 1 . 2]" 1
23 1 10 THR H 1 12 GLN H 3.610 . 5.420 4.094 3.940 4.270 . 0 0 "[ . 1 . 2]" 1
24 1 11 GLU HB2 1 12 GLN H 2.840 . 3.880 2.583 2.426 2.868 . 0 0 "[ . 1 . 2]" 1
25 1 11 GLU HB3 1 12 GLN H 2.840 . 3.880 3.473 3.216 3.690 . 0 0 "[ . 1 . 2]" 1
26 1 12 GLN H 1 12 GLN HB2 2.530 . 3.260 2.470 2.044 2.676 . 0 0 "[ . 1 . 2]" 1
27 1 12 GLN H 1 12 GLN HB3 2.530 . 3.260 2.597 2.361 3.295 0.035 6 0 "[ . 1 . 2]" 1
28 1 12 GLN H 1 14 ILE H 3.470 . 5.140 4.096 4.010 4.184 . 0 0 "[ . 1 . 2]" 1
29 1 10 THR HA 1 13 MET H 3.030 . 4.270 3.428 3.266 3.565 . 0 0 "[ . 1 . 2]" 1
30 1 11 GLU H 1 13 MET H 3.340 . 4.880 4.268 4.151 4.429 . 0 0 "[ . 1 . 2]" 1
31 1 11 GLU HA 1 13 MET H 3.480 . 5.170 4.534 4.386 4.628 . 0 0 "[ . 1 . 2]" 1
32 1 12 GLN H 1 13 MET H 2.530 . 3.260 2.714 2.618 2.788 . 0 0 "[ . 1 . 2]" 1
33 1 12 GLN HB2 1 13 MET H 2.910 . 4.020 3.760 3.014 3.920 . 0 0 "[ . 1 . 2]" 1
34 1 12 GLN HB3 1 13 MET H 2.910 . 4.020 2.546 2.394 2.792 . 0 0 "[ . 1 . 2]" 1
35 1 13 MET H 1 13 MET HB2 2.730 . 3.660 2.488 2.360 2.576 . 0 0 "[ . 1 . 2]" 1
36 1 13 MET H 1 13 MET HB3 2.730 . 3.660 2.912 2.498 3.608 . 0 0 "[ . 1 . 2]" 1
37 1 10 THR HA 1 14 ILE H 3.520 . 5.240 4.110 3.993 4.260 . 0 0 "[ . 1 . 2]" 1
38 1 11 GLU HA 1 14 ILE H 3.050 . 4.310 3.489 3.255 3.646 . 0 0 "[ . 1 . 2]" 1
39 1 12 GLN HA 1 14 ILE H 3.090 . 4.380 4.397 4.324 4.438 0.058 11 0 "[ . 1 . 2]" 1
40 1 13 MET H 1 14 ILE H 2.730 . 3.660 2.669 2.559 2.783 . 0 0 "[ . 1 . 2]" 1
41 1 13 MET HB2 1 14 ILE H 2.980 . 4.160 3.485 2.538 3.956 . 0 0 "[ . 1 . 2]" 1
42 1 13 MET HB3 1 14 ILE H 2.980 . 4.160 2.995 2.624 3.707 . 0 0 "[ . 1 . 2]" 1
43 1 14 ILE H 1 14 ILE HB 2.460 . 3.120 2.525 2.476 2.591 . 0 0 "[ . 1 . 2]" 1
44 1 11 GLU HA 1 15 GLU H 3.250 . 4.700 4.164 3.855 4.492 . 0 0 "[ . 1 . 2]" 1
45 1 12 GLN HA 1 15 GLU H 2.760 . 3.730 3.506 3.337 3.722 . 0 0 "[ . 1 . 2]" 1
46 1 13 MET H 1 15 GLU H 3.270 . 4.740 4.245 4.110 4.459 . 0 0 "[ . 1 . 2]" 1
47 1 14 ILE H 1 15 GLU H 2.550 . 3.300 2.720 2.642 2.863 . 0 0 "[ . 1 . 2]" 1
48 1 14 ILE HB 1 15 GLU H 2.480 . 3.160 2.491 2.383 2.622 . 0 0 "[ . 1 . 2]" 1
49 1 15 GLU H 1 15 GLU HB2 2.550 . 3.300 2.444 2.295 2.553 . 0 0 "[ . 1 . 2]" 1
50 1 15 GLU H 1 15 GLU HB3 2.550 . 3.300 2.604 2.463 2.758 . 0 0 "[ . 1 . 2]" 1
51 1 15 GLU H 1 16 VAL H 2.460 . 3.120 2.712 2.625 2.827 . 0 0 "[ . 1 . 2]" 1
52 1 15 GLU H 1 17 ALA H 3.210 . 4.630 4.210 4.025 4.409 . 0 0 "[ . 1 . 2]" 1
53 1 12 GLN HA 1 16 VAL H 3.210 . 4.630 4.140 3.880 4.444 . 0 0 "[ . 1 . 2]" 1
54 1 13 MET HA 1 16 VAL H 2.780 . 3.770 3.485 3.242 3.792 0.022 9 0 "[ . 1 . 2]" 1
55 1 14 ILE H 1 16 VAL H 3.300 . 4.810 4.192 4.050 4.365 . 0 0 "[ . 1 . 2]" 1
56 1 15 GLU HB3 1 16 VAL H 2.870 . 3.950 2.578 2.404 2.799 . 0 0 "[ . 1 . 2]" 1
57 1 16 VAL H 1 16 VAL HB 2.440 . 3.080 2.540 2.445 2.607 . 0 0 "[ . 1 . 2]" 1
58 1 16 VAL H 1 18 GLU H 3.180 . 4.560 4.283 4.141 4.407 . 0 0 "[ . 1 . 2]" 1
59 1 13 MET HA 1 17 ALA H 3.110 . 4.420 4.083 3.781 4.387 . 0 0 "[ . 1 . 2]" 1
60 1 14 ILE HA 1 17 ALA H 3.290 . 4.780 3.648 3.409 3.888 . 0 0 "[ . 1 . 2]" 1
61 1 15 GLU HA 1 17 ALA H 3.230 . 4.670 4.457 4.150 4.652 . 0 0 "[ . 1 . 2]" 1
62 1 16 VAL H 1 17 ALA H 2.400 . 3.010 2.711 2.633 2.762 . 0 0 "[ . 1 . 2]" 1
63 1 16 VAL HB 1 17 ALA H 2.490 . 3.190 2.622 2.479 2.867 . 0 0 "[ . 1 . 2]" 1
64 1 17 ALA H 1 18 GLU H 2.440 . 3.080 2.729 2.597 2.838 . 0 0 "[ . 1 . 2]" 1
65 1 17 ALA H 1 19 LYS H 3.140 . 4.490 4.140 3.964 4.282 . 0 0 "[ . 1 . 2]" 1
66 1 14 ILE HA 1 18 GLU H 3.430 . 5.060 4.083 3.847 4.491 . 0 0 "[ . 1 . 2]" 1
67 1 15 GLU HA 1 18 GLU H 2.710 . 3.620 3.526 3.318 3.677 0.057 10 0 "[ . 1 . 2]" 1
68 1 18 GLU H 1 18 GLU HB2 2.490 . 3.190 2.254 1.980 2.435 . 0 0 "[ . 1 . 2]" 1
69 1 18 GLU H 1 18 GLU HB3 2.580 . 3.370 3.447 2.882 3.553 0.183 9 0 "[ . 1 . 2]" 1
70 1 18 GLU H 1 19 LYS H 2.480 . 3.160 2.762 2.619 2.894 . 0 0 "[ . 1 . 2]" 1
71 1 15 GLU HA 1 19 LYS H 3.180 . 4.560 3.813 3.466 4.002 . 0 0 "[ . 1 . 2]" 1
72 1 16 VAL HA 1 19 LYS H 3.120 . 4.450 3.560 3.329 3.771 . 0 0 "[ . 1 . 2]" 1
73 1 18 GLU HB2 1 19 LYS H 2.930 . 4.060 2.706 2.410 3.345 . 0 0 "[ . 1 . 2]" 1
74 1 18 GLU HB3 1 19 LYS H 3.020 . 4.240 3.255 2.284 3.550 . 0 0 "[ . 1 . 2]" 1
75 1 16 VAL HA 1 20 GLY H 2.840 . 3.880 3.848 3.492 3.948 0.068 15 0 "[ . 1 . 2]" 1
76 1 17 ALA HA 1 20 GLY H 3.030 . 4.270 3.530 3.288 3.793 . 0 0 "[ . 1 . 2]" 1
77 1 18 GLU H 1 20 GLY H 3.180 . 4.560 4.092 3.632 4.333 . 0 0 "[ . 1 . 2]" 1
78 1 19 LYS H 1 20 GLY H 2.510 . 3.230 2.610 2.448 2.747 . 0 0 "[ . 1 . 2]" 1
79 1 19 LYS HB3 1 20 GLY H 3.110 . 4.420 3.338 2.423 3.862 . 0 0 "[ . 1 . 2]" 1
80 1 17 ALA HA 1 21 ALA H 3.700 . 5.600 4.056 3.809 4.343 . 0 0 "[ . 1 . 2]" 1
81 1 18 GLU HA 1 21 ALA H 2.930 . 4.060 3.654 3.289 4.020 . 0 0 "[ . 1 . 2]" 1
82 1 19 LYS H 1 21 ALA H 3.160 . 4.520 4.256 4.065 4.465 . 0 0 "[ . 1 . 2]" 1
83 1 20 GLY H 1 21 ALA H 2.550 . 3.300 2.698 2.629 2.814 . 0 0 "[ . 1 . 2]" 1
84 1 18 GLU HA 1 22 ASP H 3.050 . 4.310 4.090 3.652 4.368 0.058 11 0 "[ . 1 . 2]" 1
85 1 20 GLY H 1 22 ASP H 3.320 . 4.850 4.041 3.710 4.354 . 0 0 "[ . 1 . 2]" 1
86 1 20 GLY HA2 1 22 ASP H 3.680 . 5.570 4.484 4.339 4.634 . 0 0 "[ . 1 . 2]" 1
87 1 21 ALA H 1 22 ASP H 2.490 . 3.190 2.639 2.520 2.758 . 0 0 "[ . 1 . 2]" 1
88 1 22 ASP H 1 22 ASP QB 2.840 . 3.890 2.237 2.174 2.313 . 0 0 "[ . 1 . 2]" 1
89 1 22 ASP H 1 23 ARG H 2.460 . 3.120 2.660 2.452 2.771 . 0 0 "[ . 1 . 2]" 1
90 1 19 LYS HA 1 23 ARG H 3.320 . 4.850 3.829 3.615 4.138 . 0 0 "[ . 1 . 2]" 1
91 1 20 GLY HA2 1 23 ARG H 3.720 . 5.640 3.470 3.334 3.632 . 0 0 "[ . 1 . 2]" 1
92 1 21 ALA H 1 23 ARG H 3.860 . 5.930 4.080 3.926 4.226 . 0 0 "[ . 1 . 2]" 1
93 1 21 ALA HA 1 23 ARG H 3.900 . 6.000 4.408 4.219 4.609 . 0 0 "[ . 1 . 2]" 1
94 1 23 ARG H 1 23 ARG HB3 2.730 . 3.660 2.716 2.414 3.012 . 0 0 "[ . 1 . 2]" 1
95 1 23 ARG H 1 23 ARG HB2 2.570 . 3.340 2.338 2.117 2.568 . 0 0 "[ . 1 . 2]" 1
96 1 20 GLY HA2 1 24 TYR H 3.500 . 5.210 4.125 3.745 4.486 . 0 0 "[ . 1 . 2]" 1
97 1 21 ALA HA 1 24 TYR H 3.790 . 5.780 3.445 3.221 3.756 . 0 0 "[ . 1 . 2]" 1
98 1 22 ASP H 1 24 TYR H 3.470 . 5.140 4.099 3.818 4.321 . 0 0 "[ . 1 . 2]" 1
99 1 22 ASP HA 1 24 TYR H 3.540 . 5.280 4.380 3.973 4.563 . 0 0 "[ . 1 . 2]" 1
100 1 23 ARG H 1 24 TYR H 2.800 . 3.800 2.633 2.547 2.766 . 0 0 "[ . 1 . 2]" 1
101 1 23 ARG HB3 1 24 TYR H 2.850 . 3.910 2.625 2.375 2.851 . 0 0 "[ . 1 . 2]" 1
102 1 23 ARG HB2 1 24 TYR H 3.560 . 5.320 3.700 3.369 3.947 . 0 0 "[ . 1 . 2]" 1
103 1 24 TYR H 1 24 TYR HB2 2.820 . 3.840 2.548 2.229 2.751 . 0 0 "[ . 1 . 2]" 1
104 1 24 TYR H 1 24 TYR HB3 2.820 . 3.840 2.521 2.307 2.804 . 0 0 "[ . 1 . 2]" 1
105 1 24 TYR H 1 25 GLN H 3.000 . 4.200 2.551 2.453 2.709 . 0 0 "[ . 1 . 2]" 1
106 1 21 ALA HA 1 25 GLN H 3.570 . 5.350 4.134 3.839 4.495 . 0 0 "[ . 1 . 2]" 1
107 1 23 ARG HA 1 25 GLN H 3.810 . 5.820 4.304 4.088 4.645 . 0 0 "[ . 1 . 2]" 1
108 1 24 TYR HB2 1 25 GLN H 3.160 . 4.520 3.916 3.648 4.045 . 0 0 "[ . 1 . 2]" 1
109 1 24 TYR HB3 1 25 GLN H 3.160 . 4.520 2.729 2.585 2.883 . 0 0 "[ . 1 . 2]" 1
110 1 25 GLN H 1 25 GLN HB3 2.690 . 3.590 2.660 2.279 3.574 . 0 0 "[ . 1 . 2]" 1
111 1 23 ARG HA 1 26 GLU H 3.250 . 4.700 3.505 3.173 4.133 . 0 0 "[ . 1 . 2]" 1
112 1 24 TYR H 1 26 GLU H 3.450 . 5.100 4.130 3.896 4.475 . 0 0 "[ . 1 . 2]" 1
113 1 24 TYR HA 1 26 GLU H 3.660 . 5.530 4.374 4.004 4.738 . 0 0 "[ . 1 . 2]" 1
114 1 25 GLN H 1 26 GLU H 2.980 . 4.160 2.631 2.496 2.845 . 0 0 "[ . 1 . 2]" 1
115 1 25 GLN HB2 1 26 GLU H 3.390 . 4.990 3.728 2.795 4.254 . 0 0 "[ . 1 . 2]" 1
116 1 36 PHE HB2 1 37 PHE H 3.520 . 5.240 3.894 3.309 4.649 . 0 0 "[ . 1 . 2]" 1
117 1 36 PHE HB3 1 37 PHE H 3.520 . 5.240 2.938 1.784 4.459 0.016 8 0 "[ . 1 . 2]" 1
118 1 37 PHE H 1 38 GLU H 3.050 . 4.310 2.951 1.763 4.555 0.245 18 0 "[ . 1 . 2]" 1
119 1 38 GLU H 1 39 THR H 3.050 . 4.310 2.954 2.329 4.090 . 0 0 "[ . 1 . 2]" 1
120 1 39 THR H 1 39 THR HB 2.780 . 3.770 3.069 2.540 3.568 . 0 0 "[ . 1 . 2]" 1
121 1 39 THR H 1 40 ILE H 2.760 . 3.730 2.173 1.730 2.541 0.060 14 0 "[ . 1 . 2]" 1
122 1 39 THR HB 1 40 ILE H 3.090 . 4.380 3.796 2.559 4.339 . 0 0 "[ . 1 . 2]" 1
123 1 40 ILE H 1 40 ILE HB 2.870 . 3.950 2.613 2.423 2.688 . 0 0 "[ . 1 . 2]" 1
124 1 40 ILE H 1 41 LYS H 3.140 . 4.490 3.167 2.189 3.845 . 0 0 "[ . 1 . 2]" 1
125 1 40 ILE HB 1 41 LYS H 3.210 . 4.630 3.946 2.186 4.477 . 0 0 "[ . 1 . 2]" 1
126 1 42 PRO HB2 1 43 ALA H 2.820 . 3.840 2.871 2.340 3.661 . 0 0 "[ . 1 . 2]" 1
127 1 43 ALA H 1 44 VAL H 2.460 . 3.120 2.627 2.470 2.794 . 0 0 "[ . 1 . 2]" 1
128 1 44 VAL H 1 44 VAL HB 2.400 . 3.010 2.575 2.490 2.646 . 0 0 "[ . 1 . 2]" 1
129 1 44 VAL H 1 46 GLU H 3.480 . 5.170 4.208 4.011 4.401 . 0 0 "[ . 1 . 2]" 1
130 1 43 ALA H 1 45 GLU H 3.270 . 4.740 4.341 4.031 4.721 . 0 0 "[ . 1 . 2]" 1
131 1 43 ALA HA 1 45 GLU H 3.290 . 4.780 4.537 4.170 4.797 0.017 7 0 "[ . 1 . 2]" 1
132 1 44 VAL H 1 45 GLU H 2.550 . 3.300 2.725 2.616 2.874 . 0 0 "[ . 1 . 2]" 1
133 1 44 VAL HB 1 45 GLU H 2.550 . 3.300 2.498 2.294 2.746 . 0 0 "[ . 1 . 2]" 1
134 1 45 GLU H 1 45 GLU HB3 2.640 . 3.480 3.557 3.513 3.581 0.101 6 0 "[ . 1 . 2]" 1
135 1 45 GLU H 1 45 GLU HB2 2.440 . 3.080 2.438 2.228 2.606 . 0 0 "[ . 1 . 2]" 1
136 1 45 GLU H 1 46 GLU H 2.640 . 3.480 2.727 2.613 2.842 . 0 0 "[ . 1 . 2]" 1
137 1 45 GLU H 1 47 ASN H 3.410 . 5.030 4.374 4.115 4.602 . 0 0 "[ . 1 . 2]" 1
138 1 44 VAL HA 1 46 GLU H 3.500 . 5.210 4.597 4.346 4.813 . 0 0 "[ . 1 . 2]" 1
139 1 45 GLU HB3 1 46 GLU H 2.640 . 3.480 3.506 3.401 3.556 0.076 4 0 "[ . 1 . 2]" 1
140 1 45 GLU HB2 1 46 GLU H 2.850 . 3.910 2.520 2.320 2.859 . 0 0 "[ . 1 . 2]" 1
141 1 46 GLU H 1 46 GLU HB2 2.400 . 3.010 2.302 2.097 2.583 . 0 0 "[ . 1 . 2]" 1
142 1 46 GLU H 1 46 GLU HB3 2.510 . 3.230 3.320 2.554 3.518 0.288 18 0 "[ . 1 . 2]" 1
143 1 43 ALA HA 1 47 ASN H 3.180 . 4.560 3.869 3.440 4.127 . 0 0 "[ . 1 . 2]" 1
144 1 44 VAL HA 1 47 ASN H 3.030 . 4.270 3.776 3.242 4.138 . 0 0 "[ . 1 . 2]" 1
145 1 45 GLU HA 1 47 ASN H 3.570 . 5.350 4.767 4.567 5.007 . 0 0 "[ . 1 . 2]" 1
146 1 46 GLU H 1 47 ASN H 2.490 . 3.190 2.802 2.593 2.891 . 0 0 "[ . 1 . 2]" 1
147 1 46 GLU HB2 1 47 ASN H 2.460 . 3.120 2.651 2.137 3.417 0.297 7 0 "[ . 1 . 2]" 1
148 1 47 ASN H 1 47 ASN HB2 2.400 . 3.010 2.410 2.335 2.540 . 0 0 "[ . 1 . 2]" 1
149 1 47 ASN H 1 47 ASN HB3 2.820 . 3.840 3.595 3.579 3.608 . 0 0 "[ . 1 . 2]" 1
150 1 47 ASN H 1 48 ASP H 2.480 . 3.160 2.681 2.518 2.877 . 0 0 "[ . 1 . 2]" 1
151 1 47 ASN H 1 49 GLU H 3.610 . 5.420 4.477 4.313 4.656 . 0 0 "[ . 1 . 2]" 1
152 1 44 VAL HA 1 48 ASP H 3.200 . 4.600 3.963 3.654 4.188 . 0 0 "[ . 1 . 2]" 1
153 1 45 GLU HA 1 48 ASP H 2.850 . 3.910 3.730 3.404 3.933 0.023 5 0 "[ . 1 . 2]" 1
154 1 46 GLU H 1 48 ASP H 3.210 . 4.630 4.122 3.910 4.358 . 0 0 "[ . 1 . 2]" 1
155 1 46 GLU HA 1 48 ASP H 3.300 . 4.810 4.495 4.279 4.677 . 0 0 "[ . 1 . 2]" 1
156 1 47 ASN HB2 1 48 ASP H 2.780 . 3.770 2.855 2.448 3.070 . 0 0 "[ . 1 . 2]" 1
157 1 47 ASN HB3 1 48 ASP H 3.180 . 4.560 3.691 3.399 3.882 . 0 0 "[ . 1 . 2]" 1
158 1 48 ASP H 1 48 ASP HB2 2.420 . 3.050 2.559 2.485 2.739 . 0 0 "[ . 1 . 2]" 1
159 1 48 ASP H 1 48 ASP HB3 2.420 . 3.050 2.527 2.372 2.701 . 0 0 "[ . 1 . 2]" 1
160 1 48 ASP H 1 49 GLU H 2.480 . 3.160 2.801 2.695 2.968 . 0 0 "[ . 1 . 2]" 1
161 1 48 ASP H 1 50 LEU H 3.390 . 4.990 3.905 3.709 4.164 . 0 0 "[ . 1 . 2]" 1
162 1 45 GLU HA 1 49 GLU H 3.120 . 4.450 4.130 3.815 4.386 . 0 0 "[ . 1 . 2]" 1
163 1 47 ASN HA 1 49 GLU H 3.480 . 5.170 4.626 4.454 4.818 . 0 0 "[ . 1 . 2]" 1
164 1 48 ASP HB2 1 49 GLU H 2.960 . 4.130 3.758 3.600 3.859 . 0 0 "[ . 1 . 2]" 1
165 1 48 ASP HB3 1 49 GLU H 2.960 . 4.130 2.362 2.244 2.506 . 0 0 "[ . 1 . 2]" 1
166 1 46 GLU HA 1 50 LEU H 2.980 . 4.160 4.091 3.892 4.207 0.047 9 0 "[ . 1 . 2]" 1
167 1 47 ASN HA 1 50 LEU H 2.640 . 3.480 3.283 3.034 3.529 0.049 13 0 "[ . 1 . 2]" 1
168 1 48 ASP HA 1 50 LEU H 3.900 . 6.000 4.448 4.283 4.631 . 0 0 "[ . 1 . 2]" 1
169 1 49 GLU H 1 50 LEU H 2.480 . 3.160 2.609 2.462 2.849 . 0 0 "[ . 1 . 2]" 1
170 1 49 GLU QB 1 50 LEU H 3.060 . 4.320 2.602 2.351 2.857 . 0 0 "[ . 1 . 2]" 1
171 1 50 LEU H 1 50 LEU HB2 2.530 . 3.260 2.201 2.038 2.320 . 0 0 "[ . 1 . 2]" 1
172 1 50 LEU H 1 50 LEU HB3 2.530 . 3.260 2.846 2.724 3.329 0.069 17 0 "[ . 1 . 2]" 1
173 1 47 ASN HA 1 51 ALA H 2.890 . 3.980 3.610 3.411 3.818 . 0 0 "[ . 1 . 2]" 1
174 1 49 GLU H 1 51 ALA H 3.250 . 4.700 4.398 4.229 4.496 . 0 0 "[ . 1 . 2]" 1
175 1 49 GLU HA 1 51 ALA H 3.340 . 4.880 4.644 4.380 4.809 . 0 0 "[ . 1 . 2]" 1
176 1 50 LEU H 1 51 ALA H 2.530 . 3.260 2.796 2.714 2.902 . 0 0 "[ . 1 . 2]" 1
177 1 50 LEU HB2 1 51 ALA H 2.620 . 3.440 3.409 2.861 3.523 0.083 16 0 "[ . 1 . 2]" 1
178 1 50 LEU HB3 1 51 ALA H 2.620 . 3.440 2.318 2.209 2.721 . 0 0 "[ . 1 . 2]" 1
179 1 48 ASP HA 1 52 ALA H 3.300 . 4.810 4.229 3.907 4.517 . 0 0 "[ . 1 . 2]" 1
180 1 50 LEU H 1 52 ALA H 3.430 . 5.060 4.066 3.757 4.282 . 0 0 "[ . 1 . 2]" 1
181 1 50 LEU HA 1 52 ALA H 3.250 . 4.700 4.479 4.259 4.626 . 0 0 "[ . 1 . 2]" 1
182 1 51 ALA H 1 52 ALA H 2.400 . 3.010 2.667 2.494 2.757 . 0 0 "[ . 1 . 2]" 1
183 1 51 ALA HA 1 52 ALA H 2.670 . 3.550 3.528 3.476 3.549 . 0 0 "[ . 1 . 2]" 1
184 1 52 ALA H 1 54 TRP H 3.050 . 4.310 3.974 3.781 4.145 . 0 0 "[ . 1 . 2]" 1
185 1 49 GLU HA 1 53 ARG H 3.680 . 5.570 3.895 3.561 4.239 . 0 0 "[ . 1 . 2]" 1
186 1 50 LEU HA 1 53 ARG H 2.850 . 3.910 3.801 3.559 3.930 0.020 14 0 "[ . 1 . 2]" 1
187 1 51 ALA H 1 53 ARG H 3.680 . 5.570 4.387 4.196 4.651 . 0 0 "[ . 1 . 2]" 1
188 1 52 ALA H 1 53 ARG H 2.480 . 3.160 2.737 2.617 2.828 . 0 0 "[ . 1 . 2]" 1
189 1 53 ARG H 1 53 ARG HB2 2.480 . 3.160 2.112 1.999 2.355 . 0 0 "[ . 1 . 2]" 1
190 1 53 ARG H 1 53 ARG HB3 2.480 . 3.160 3.080 2.456 3.458 0.298 15 0 "[ . 1 . 2]" 1
191 1 53 ARG H 1 54 TRP H 2.390 . 2.980 2.603 2.483 2.749 . 0 0 "[ . 1 . 2]" 1
192 1 53 ARG H 1 55 ALA H 3.180 . 4.560 4.259 4.092 4.462 . 0 0 "[ . 1 . 2]" 1
193 1 50 LEU HA 1 54 TRP H 2.940 . 4.090 3.977 3.776 4.133 0.043 5 0 "[ . 1 . 2]" 1
194 1 53 ARG HB2 1 54 TRP H 2.960 . 4.130 3.296 2.576 3.742 . 0 0 "[ . 1 . 2]" 1
195 1 53 ARG HB3 1 54 TRP H 2.960 . 4.130 2.961 2.474 3.469 . 0 0 "[ . 1 . 2]" 1
196 1 54 TRP H 1 54 TRP HB2 2.480 . 3.160 2.502 2.441 2.550 . 0 0 "[ . 1 . 2]" 1
197 1 54 TRP H 1 54 TRP HB3 2.480 . 3.160 2.575 2.515 2.643 . 0 0 "[ . 1 . 2]" 1
198 1 54 TRP H 1 55 ALA H 2.530 . 3.260 2.701 2.627 2.783 . 0 0 "[ . 1 . 2]" 1
199 1 54 TRP H 1 56 GLU H 3.340 . 4.880 4.145 4.066 4.261 . 0 0 "[ . 1 . 2]" 1
200 1 51 ALA HA 1 55 ALA H 3.290 . 4.780 3.788 3.566 4.077 . 0 0 "[ . 1 . 2]" 1
201 1 54 TRP HB2 1 55 ALA H 2.960 . 4.130 3.776 3.716 3.825 . 0 0 "[ . 1 . 2]" 1
202 1 54 TRP HB3 1 55 ALA H 2.960 . 4.130 2.458 2.331 2.577 . 0 0 "[ . 1 . 2]" 1
203 1 55 ALA H 1 57 GLY H 3.680 . 5.570 4.195 3.969 4.359 . 0 0 "[ . 1 . 2]" 1
204 1 52 ALA HA 1 56 GLU H 3.200 . 4.600 4.219 3.843 4.611 0.011 10 0 "[ . 1 . 2]" 1
205 1 53 ARG HA 1 56 GLU H 2.780 . 3.770 3.481 3.224 3.698 . 0 0 "[ . 1 . 2]" 1
206 1 54 TRP HA 1 56 GLU H 3.200 . 4.600 4.515 4.430 4.600 . 0 0 "[ . 1 . 2]" 1
207 1 55 ALA H 1 56 GLU H 2.490 . 3.190 2.764 2.697 2.809 . 0 0 "[ . 1 . 2]" 1
208 1 56 GLU H 1 56 GLU HB2 2.510 . 3.230 2.245 2.002 2.515 . 0 0 "[ . 1 . 2]" 1
209 1 56 GLU H 1 56 GLU HB3 2.510 . 3.230 3.102 2.302 3.507 0.277 13 0 "[ . 1 . 2]" 1
210 1 56 GLU H 1 58 ALA H 3.390 . 4.990 4.224 4.063 4.356 . 0 0 "[ . 1 . 2]" 1
211 1 53 ARG HA 1 57 GLY H 3.750 . 5.710 4.060 3.853 4.342 . 0 0 "[ . 1 . 2]" 1
212 1 54 TRP HA 1 57 GLY H 3.140 . 4.490 3.458 3.290 3.631 . 0 0 "[ . 1 . 2]" 1
213 1 55 ALA HA 1 57 GLY H 3.680 . 5.570 4.469 4.261 4.658 . 0 0 "[ . 1 . 2]" 1
214 1 56 GLU H 1 57 GLY H 2.550 . 3.300 2.739 2.634 2.825 . 0 0 "[ . 1 . 2]" 1
215 1 56 GLU HB2 1 57 GLY H 2.820 . 3.840 3.080 2.441 3.879 0.039 7 0 "[ . 1 . 2]" 1
216 1 57 GLY H 1 58 ALA H 2.570 . 3.340 2.660 2.581 2.760 . 0 0 "[ . 1 . 2]" 1
217 1 54 TRP HA 1 58 ALA H 3.700 . 5.600 3.937 3.791 4.065 . 0 0 "[ . 1 . 2]" 1
218 1 57 GLY H 1 59 LEU H 3.380 . 4.960 4.154 4.030 4.282 . 0 0 "[ . 1 . 2]" 1
219 1 58 ALA H 1 59 LEU H 2.510 . 3.230 2.679 2.619 2.745 . 0 0 "[ . 1 . 2]" 1
220 1 59 LEU H 1 59 LEU HB3 2.550 . 3.300 3.501 3.482 3.522 0.222 16 0 "[ . 1 . 2]" 1
221 1 59 LEU H 1 59 LEU HB2 2.710 . 3.620 2.276 2.201 2.341 . 0 0 "[ . 1 . 2]" 1
222 1 59 LEU H 1 61 LEU H 3.270 . 4.740 4.208 3.999 4.436 . 0 0 "[ . 1 . 2]" 1
223 1 56 GLU HA 1 60 GLU H 3.500 . 5.210 4.174 3.944 4.442 . 0 0 "[ . 1 . 2]" 1
224 1 57 GLY HA2 1 60 GLU H 3.430 . 5.060 3.477 3.335 3.619 . 0 0 "[ . 1 . 2]" 1
225 1 57 GLY HA3 1 60 GLU H 3.430 . 5.060 4.609 4.468 4.685 . 0 0 "[ . 1 . 2]" 1
226 1 58 ALA H 1 60 GLU H 3.450 . 5.100 4.034 3.929 4.154 . 0 0 "[ . 1 . 2]" 1
227 1 58 ALA HA 1 60 GLU H 3.520 . 5.240 4.298 4.113 4.419 . 0 0 "[ . 1 . 2]" 1
228 1 59 LEU H 1 60 GLU H 2.440 . 3.080 2.650 2.586 2.698 . 0 0 "[ . 1 . 2]" 1
229 1 59 LEU HB3 1 60 GLU H 2.620 . 3.440 3.486 3.353 3.535 0.095 18 0 "[ . 1 . 2]" 1
230 1 59 LEU HB2 1 60 GLU H 2.600 . 3.410 2.700 2.576 2.817 . 0 0 "[ . 1 . 2]" 1
231 1 60 GLU H 1 60 GLU HB2 2.460 . 3.120 2.410 2.231 2.514 . 0 0 "[ . 1 . 2]" 1
232 1 60 GLU H 1 60 GLU HB3 2.460 . 3.120 2.613 2.485 2.836 . 0 0 "[ . 1 . 2]" 1
233 1 60 GLU H 1 61 LEU H 2.440 . 3.080 2.710 2.542 2.892 . 0 0 "[ . 1 . 2]" 1
234 1 60 GLU H 1 62 ILE H 3.250 . 4.700 4.295 4.138 4.403 . 0 0 "[ . 1 . 2]" 1
235 1 57 GLY HA3 1 61 LEU H 3.900 . 6.000 5.077 4.849 5.387 . 0 0 "[ . 1 . 2]" 1
236 1 58 ALA HA 1 61 LEU H 2.960 . 4.130 3.373 3.055 3.582 . 0 0 "[ . 1 . 2]" 1
237 1 60 GLU HB2 1 61 LEU H 2.800 . 3.800 3.724 3.601 3.825 0.025 17 0 "[ . 1 . 2]" 1
238 1 60 GLU HB3 1 61 LEU H 2.800 . 3.800 2.467 2.282 2.633 . 0 0 "[ . 1 . 2]" 1
239 1 61 LEU H 1 62 ILE H 2.580 . 3.370 2.757 2.658 2.835 . 0 0 "[ . 1 . 2]" 1
240 1 58 ALA HA 1 62 ILE H 3.360 . 4.920 4.194 3.822 4.602 . 0 0 "[ . 1 . 2]" 1
241 1 59 LEU HA 1 62 ILE H 3.070 . 4.340 3.540 3.415 3.689 . 0 0 "[ . 1 . 2]" 1
242 1 61 LEU HB2 1 62 ILE H 2.840 . 3.880 3.334 2.767 3.862 . 0 0 "[ . 1 . 2]" 1
243 1 61 LEU HB3 1 62 ILE H 2.840 . 3.880 2.879 2.415 3.470 . 0 0 "[ . 1 . 2]" 1
244 1 62 ILE H 1 62 ILE HB 2.780 . 3.770 3.654 3.632 3.674 . 0 0 "[ . 1 . 2]" 1
245 1 59 LEU HA 1 63 LYS H 3.430 . 5.060 4.297 4.086 4.609 . 0 0 "[ . 1 . 2]" 1
246 1 60 GLU HA 1 63 LYS H 2.850 . 3.910 3.725 3.495 3.948 0.038 8 0 "[ . 1 . 2]" 1
247 1 61 LEU H 1 63 LYS H 3.140 . 4.490 4.022 3.736 4.346 . 0 0 "[ . 1 . 2]" 1
248 1 61 LEU HA 1 63 LYS H 3.270 . 4.740 4.124 3.831 4.508 . 0 0 "[ . 1 . 2]" 1
249 1 62 ILE H 1 63 LYS H 2.570 . 3.340 2.563 2.425 2.693 . 0 0 "[ . 1 . 2]" 1
250 1 62 ILE HB 1 63 LYS H 3.070 . 4.340 4.087 3.886 4.265 . 0 0 "[ . 1 . 2]" 1
251 1 60 GLU HA 1 64 VAL H 3.210 . 4.630 4.404 3.873 4.645 0.015 19 0 "[ . 1 . 2]" 1
252 1 61 LEU HA 1 64 VAL H 3.000 . 4.200 3.559 3.350 3.736 . 0 0 "[ . 1 . 2]" 1
253 1 63 LYS H 1 64 VAL H 2.400 . 3.010 2.383 2.310 2.449 . 0 0 "[ . 1 . 2]" 1
254 1 64 VAL H 1 65 ARG H 2.530 . 3.260 2.531 2.361 2.762 . 0 0 "[ . 1 . 2]" 1
255 1 64 VAL HB 1 65 ARG H 2.660 . 3.520 2.497 2.269 2.790 . 0 0 "[ . 1 . 2]" 1
256 1 69 TYR HB2 1 70 VAL H 3.210 . 4.630 2.351 1.981 2.777 . 0 0 "[ . 1 . 2]" 1
257 1 69 TYR HB3 1 70 VAL H 3.410 . 5.030 3.432 2.995 3.781 . 0 0 "[ . 1 . 2]" 1
258 1 70 VAL H 1 70 VAL HB 2.620 . 3.440 2.609 2.455 2.933 . 0 0 "[ . 1 . 2]" 1
259 1 70 VAL H 1 71 HIS H 3.250 . 4.700 4.599 4.515 4.656 . 0 0 "[ . 1 . 2]" 1
260 1 70 VAL HA 1 71 HIS H 2.550 . 3.300 2.291 2.196 2.461 . 0 0 "[ . 1 . 2]" 1
261 1 71 HIS H 1 71 HIS HB3 2.850 . 3.910 3.453 2.554 3.832 . 0 0 "[ . 1 . 2]" 1
262 1 72 LYS H 1 73 GLU H 3.900 . 6.000 2.705 2.570 2.834 . 0 0 "[ . 1 . 2]" 1
263 1 72 LYS HB3 1 73 GLU H 3.160 . 4.520 3.181 2.361 4.147 . 0 0 "[ . 1 . 2]" 1
264 1 73 GLU H 1 73 GLU HB2 2.930 . 4.060 2.547 2.305 2.801 . 0 0 "[ . 1 . 2]" 1
265 1 73 GLU H 1 73 GLU HB3 2.930 . 4.060 3.251 2.449 3.622 . 0 0 "[ . 1 . 2]" 1
266 1 73 GLU H 1 74 GLN H 3.050 . 4.310 2.708 2.577 2.910 . 0 0 "[ . 1 . 2]" 1
267 1 73 GLU HB2 1 74 GLN H 2.870 . 3.950 3.085 2.501 3.958 0.008 1 0 "[ . 1 . 2]" 1
268 1 73 GLU HB3 1 74 GLN H 2.870 . 3.950 3.423 2.342 3.936 . 0 0 "[ . 1 . 2]" 1
269 1 74 GLN H 1 74 GLN HB2 2.690 . 3.590 2.368 2.201 2.567 . 0 0 "[ . 1 . 2]" 1
270 1 74 GLN H 1 74 GLN HB3 2.660 . 3.520 3.516 2.722 3.578 0.058 6 0 "[ . 1 . 2]" 1
271 1 72 LYS HA 1 75 ILE H 3.020 . 4.240 3.373 3.067 3.946 . 0 0 "[ . 1 . 2]" 1
272 1 74 GLN H 1 75 ILE H 2.620 . 3.440 2.631 2.535 2.873 . 0 0 "[ . 1 . 2]" 1
273 1 74 GLN HB2 1 75 ILE H 2.890 . 3.980 2.701 2.392 3.674 . 0 0 "[ . 1 . 2]" 1
274 1 74 GLN HB3 1 75 ILE H 2.820 . 3.840 3.476 2.592 3.698 . 0 0 "[ . 1 . 2]" 1
275 1 75 ILE H 1 75 ILE HB 2.390 . 2.980 2.549 2.443 2.633 . 0 0 "[ . 1 . 2]" 1
276 1 72 LYS HA 1 76 GLU H 3.740 . 5.680 4.435 3.816 4.981 . 0 0 "[ . 1 . 2]" 1
277 1 74 GLN HA 1 76 GLU H 3.090 . 4.380 4.416 4.348 4.455 0.075 20 0 "[ . 1 . 2]" 1
278 1 75 ILE H 1 76 GLU H 2.490 . 3.190 2.711 2.647 2.766 . 0 0 "[ . 1 . 2]" 1
279 1 75 ILE HB 1 76 GLU H 2.730 . 3.660 2.605 2.499 2.717 . 0 0 "[ . 1 . 2]" 1
280 1 73 GLU HA 1 77 ALA H 3.270 . 4.740 4.321 3.969 4.649 . 0 0 "[ . 1 . 2]" 1
281 1 74 GLN HA 1 77 ALA H 2.930 . 4.060 3.421 3.217 3.793 . 0 0 "[ . 1 . 2]" 1
282 1 75 ILE H 1 77 ALA H 3.520 . 5.240 4.053 3.896 4.282 . 0 0 "[ . 1 . 2]" 1
283 1 75 ILE HA 1 77 ALA H 3.380 . 4.960 4.365 4.176 4.512 . 0 0 "[ . 1 . 2]" 1
284 1 76 GLU H 1 77 ALA H 2.510 . 3.230 2.540 2.438 2.725 . 0 0 "[ . 1 . 2]" 1
285 1 77 ALA H 1 78 VAL H 2.400 . 3.010 2.597 2.423 2.751 . 0 0 "[ . 1 . 2]" 1
286 1 77 ALA H 1 79 LYS H 3.200 . 4.600 4.163 3.967 4.354 . 0 0 "[ . 1 . 2]" 1
287 1 74 GLN HA 1 78 VAL H 3.430 . 5.060 3.889 3.619 4.224 . 0 0 "[ . 1 . 2]" 1
288 1 75 ILE HA 1 78 VAL H 2.690 . 3.590 3.588 3.349 3.691 0.101 14 0 "[ . 1 . 2]" 1
289 1 76 GLU H 1 78 VAL H 3.200 . 4.600 4.154 3.841 4.342 . 0 0 "[ . 1 . 2]" 1
290 1 76 GLU HA 1 78 VAL H 3.450 . 5.100 4.552 4.179 4.810 . 0 0 "[ . 1 . 2]" 1
291 1 78 VAL H 1 78 VAL HB 2.330 . 2.870 2.461 2.389 2.528 . 0 0 "[ . 1 . 2]" 1
292 1 78 VAL H 1 79 LYS H 2.490 . 3.190 2.740 2.637 2.834 . 0 0 "[ . 1 . 2]" 1
293 1 78 VAL H 1 80 ASP H 3.300 . 4.810 4.435 4.143 4.689 . 0 0 "[ . 1 . 2]" 1
294 1 75 ILE HA 1 79 LYS H 3.300 . 4.810 4.286 3.769 4.846 0.036 5 0 "[ . 1 . 2]" 1
295 1 77 ALA HA 1 79 LYS H 3.900 . 6.000 4.391 4.155 4.655 . 0 0 "[ . 1 . 2]" 1
296 1 78 VAL HB 1 79 LYS H 2.490 . 3.190 2.748 2.625 2.877 . 0 0 "[ . 1 . 2]" 1
297 1 79 LYS H 1 79 LYS HB2 2.400 . 3.010 2.516 2.388 2.698 . 0 0 "[ . 1 . 2]" 1
298 1 79 LYS H 1 79 LYS HB3 2.400 . 3.010 2.545 2.307 2.663 . 0 0 "[ . 1 . 2]" 1
299 1 79 LYS H 1 80 ASP H 2.480 . 3.160 2.829 2.720 2.926 . 0 0 "[ . 1 . 2]" 1
300 1 77 ALA HA 1 80 ASP H 3.020 . 4.240 3.691 3.451 3.836 . 0 0 "[ . 1 . 2]" 1
301 1 79 LYS HB2 1 80 ASP H 2.800 . 3.800 3.802 3.736 3.883 0.083 15 0 "[ . 1 . 2]" 1
302 1 79 LYS HB3 1 80 ASP H 2.800 . 3.800 2.459 2.368 2.585 . 0 0 "[ . 1 . 2]" 1
303 1 80 ASP H 1 80 ASP HB2 2.460 . 3.120 2.536 2.115 2.773 . 0 0 "[ . 1 . 2]" 1
304 1 80 ASP H 1 80 ASP HB3 2.460 . 3.120 2.608 2.367 3.433 0.313 9 0 "[ . 1 . 2]" 1
305 1 80 ASP H 1 81 ASN H 2.440 . 3.080 2.540 2.441 2.747 . 0 0 "[ . 1 . 2]" 1
306 1 79 LYS H 1 81 ASN H 3.410 . 5.030 4.192 4.046 4.307 . 0 0 "[ . 1 . 2]" 1
307 1 80 ASP HB2 1 81 ASN H 3.020 . 4.240 3.729 2.807 3.902 . 0 0 "[ . 1 . 2]" 1
308 1 80 ASP HB3 1 81 ASN H 3.020 . 4.240 2.629 2.381 3.404 . 0 0 "[ . 1 . 2]" 1
309 1 81 ASN H 1 81 ASN HB2 2.750 . 3.700 2.331 2.237 2.472 . 0 0 "[ . 1 . 2]" 1
310 1 81 ASN H 1 81 ASN HB3 2.750 . 3.700 3.569 3.523 3.604 . 0 0 "[ . 1 . 2]" 1
311 1 78 VAL HA 1 82 PHE H 3.250 . 4.700 3.627 3.448 3.812 . 0 0 "[ . 1 . 2]" 1
312 1 79 LYS HA 1 82 PHE H 3.160 . 4.520 3.899 3.486 4.059 . 0 0 "[ . 1 . 2]" 1
313 1 80 ASP H 1 82 PHE H 3.360 . 4.920 3.994 3.886 4.162 . 0 0 "[ . 1 . 2]" 1
314 1 81 ASN H 1 82 PHE H 2.530 . 3.260 2.667 2.494 2.774 . 0 0 "[ . 1 . 2]" 1
315 1 81 ASN HB2 1 82 PHE H 3.300 . 4.810 2.885 2.652 3.108 . 0 0 "[ . 1 . 2]" 1
316 1 81 ASN HB3 1 82 PHE H 3.300 . 4.810 3.602 3.392 3.812 . 0 0 "[ . 1 . 2]" 1
317 1 82 PHE H 1 82 PHE HB3 2.580 . 3.370 2.594 2.492 2.685 . 0 0 "[ . 1 . 2]" 1
318 1 82 PHE H 1 82 PHE HB2 2.480 . 3.160 2.473 2.374 2.584 . 0 0 "[ . 1 . 2]" 1
319 1 80 ASP HA 1 83 LEU H 3.390 . 4.990 3.640 3.261 3.981 . 0 0 "[ . 1 . 2]" 1
320 1 81 ASN H 1 83 LEU H 3.300 . 4.810 4.365 4.067 4.562 . 0 0 "[ . 1 . 2]" 1
321 1 81 ASN HA 1 83 LEU H 3.480 . 5.170 4.495 4.202 4.766 . 0 0 "[ . 1 . 2]" 1
322 1 82 PHE H 1 83 LEU H 2.570 . 3.340 2.686 2.564 2.790 . 0 0 "[ . 1 . 2]" 1
323 1 82 PHE HB3 1 83 LEU H 2.690 . 3.590 2.491 2.292 2.705 . 0 0 "[ . 1 . 2]" 1
324 1 82 PHE HB2 1 83 LEU H 3.070 . 4.340 3.774 3.682 3.846 . 0 0 "[ . 1 . 2]" 1
325 1 83 LEU H 1 83 LEU HB2 2.440 . 3.080 2.388 2.257 2.501 . 0 0 "[ . 1 . 2]" 1
326 1 83 LEU H 1 85 LEU H 3.270 . 4.740 4.051 3.843 4.304 . 0 0 "[ . 1 . 2]" 1
327 1 80 ASP HA 1 84 GLU H 3.270 . 4.740 4.273 3.968 4.667 . 0 0 "[ . 1 . 2]" 1
328 1 81 ASN HA 1 84 GLU H 2.890 . 3.980 3.432 3.150 3.779 . 0 0 "[ . 1 . 2]" 1
329 1 82 PHE H 1 84 GLU H 3.250 . 4.700 4.070 3.798 4.362 . 0 0 "[ . 1 . 2]" 1
330 1 83 LEU H 1 84 GLU H 2.460 . 3.120 2.654 2.520 2.740 . 0 0 "[ . 1 . 2]" 1
331 1 83 LEU HB3 1 84 GLU H 2.730 . 3.660 3.516 3.293 3.670 0.010 12 0 "[ . 1 . 2]" 1
332 1 83 LEU HB2 1 84 GLU H 2.640 . 3.480 2.621 2.456 2.750 . 0 0 "[ . 1 . 2]" 1
333 1 82 PHE HA 1 85 LEU H 3.020 . 4.240 3.422 3.098 3.711 . 0 0 "[ . 1 . 2]" 1
334 1 83 LEU HA 1 85 LEU H 3.450 . 5.100 4.402 4.233 4.568 . 0 0 "[ . 1 . 2]" 1
335 1 84 GLU H 1 85 LEU H 2.480 . 3.160 2.665 2.470 2.818 . 0 0 "[ . 1 . 2]" 1
336 1 84 GLU QB 1 85 LEU H 3.100 . 4.400 2.547 2.283 2.797 . 0 0 "[ . 1 . 2]" 1
337 1 85 LEU H 1 85 LEU HB2 2.420 . 3.050 2.285 2.109 2.361 . 0 0 "[ . 1 . 2]" 1
338 1 85 LEU H 1 85 LEU HB3 2.620 . 3.440 2.694 2.590 3.001 . 0 0 "[ . 1 . 2]" 1
339 1 85 LEU H 1 87 LEU H 3.180 . 4.560 4.213 4.017 4.380 . 0 0 "[ . 1 . 2]" 1
340 1 82 PHE HA 1 86 VAL H 3.300 . 4.810 4.167 3.965 4.551 . 0 0 "[ . 1 . 2]" 1
341 1 83 LEU HA 1 86 VAL H 2.780 . 3.770 3.584 3.409 3.785 0.015 10 0 "[ . 1 . 2]" 1
342 1 84 GLU HA 1 86 VAL H 3.300 . 4.810 4.574 4.426 4.665 . 0 0 "[ . 1 . 2]" 1
343 1 85 LEU H 1 86 VAL H 2.660 . 3.520 2.834 2.764 2.916 . 0 0 "[ . 1 . 2]" 1
344 1 85 LEU HB2 1 86 VAL H 2.710 . 3.620 3.616 3.417 3.677 0.057 14 0 "[ . 1 . 2]" 1
345 1 86 VAL H 1 86 VAL HB 2.390 . 2.980 2.573 2.506 2.604 . 0 0 "[ . 1 . 2]" 1
346 1 86 VAL H 1 87 LEU H 2.550 . 3.300 2.743 2.656 2.836 . 0 0 "[ . 1 . 2]" 1
347 1 84 GLU HA 1 87 LEU H 3.050 . 4.310 3.486 3.146 3.679 . 0 0 "[ . 1 . 2]" 1
348 1 86 VAL HB 1 87 LEU H 2.670 . 3.550 2.533 2.450 2.650 . 0 0 "[ . 1 . 2]" 1
349 1 87 LEU H 1 87 LEU HB2 2.550 . 3.300 2.497 2.461 2.539 . 0 0 "[ . 1 . 2]" 1
350 1 85 LEU HA 1 88 GLN H 3.520 . 5.240 3.738 3.503 3.963 . 0 0 "[ . 1 . 2]" 1
351 1 86 VAL H 1 88 GLN H 3.900 . 6.000 4.355 4.183 4.668 . 0 0 "[ . 1 . 2]" 1
352 1 87 LEU H 1 88 GLN H 2.870 . 3.950 2.748 2.617 2.934 . 0 0 "[ . 1 . 2]" 1
353 1 87 LEU HB3 1 88 GLN H 2.760 . 3.730 2.455 2.228 2.609 . 0 0 "[ . 1 . 2]" 1
354 1 87 LEU HB2 1 88 GLN H 3.110 . 4.420 3.799 3.667 3.884 . 0 0 "[ . 1 . 2]" 1
355 1 88 GLN H 1 88 GLN HB3 2.890 . 3.980 3.067 2.471 3.631 . 0 0 "[ . 1 . 2]" 1
356 1 88 GLN H 1 88 GLN HB2 2.870 . 3.950 3.096 2.131 3.646 . 0 0 "[ . 1 . 2]" 1
357 1 85 LEU HA 1 89 SER H 3.360 . 4.920 4.303 4.064 4.665 . 0 0 "[ . 1 . 2]" 1
358 1 87 LEU H 1 89 SER H 3.230 . 4.670 4.000 3.850 4.245 . 0 0 "[ . 1 . 2]" 1
359 1 88 GLN H 1 89 SER H 2.870 . 3.950 2.594 2.497 2.803 . 0 0 "[ . 1 . 2]" 1
360 1 88 GLN HB3 1 89 SER H 3.650 . 5.500 4.085 3.491 4.473 . 0 0 "[ . 1 . 2]" 1
361 1 88 GLN HB2 1 89 SER H 3.160 . 4.520 3.653 2.552 4.390 . 0 0 "[ . 1 . 2]" 1
362 1 89 SER H 1 90 TYR H 2.840 . 3.880 2.595 2.413 2.841 . 0 0 "[ . 1 . 2]" 1
363 1 88 GLN HA 1 90 TYR H 3.380 . 4.960 3.950 3.456 4.734 . 0 0 "[ . 1 . 2]" 1
364 1 90 TYR H 1 90 TYR HB3 2.940 . 4.090 3.630 3.551 3.705 . 0 0 "[ . 1 . 2]" 1
365 1 90 TYR H 1 90 TYR HB2 2.670 . 3.550 2.430 2.270 2.535 . 0 0 "[ . 1 . 2]" 1
366 1 90 TYR H 1 91 VAL H 2.480 . 3.160 2.458 2.117 2.659 . 0 0 "[ . 1 . 2]" 1
367 1 90 TYR HB3 1 91 VAL H 3.740 . 5.680 3.484 3.156 3.765 . 0 0 "[ . 1 . 2]" 1
368 1 90 TYR HB2 1 91 VAL H 3.320 . 4.850 2.561 2.322 2.987 . 0 0 "[ . 1 . 2]" 1
369 1 91 VAL H 1 92 HIS H 2.670 . 3.550 2.450 2.334 2.540 . 0 0 "[ . 1 . 2]" 1
370 1 91 VAL HB 1 92 HIS H 3.700 . 5.600 4.049 3.802 4.285 . 0 0 "[ . 1 . 2]" 1
371 1 92 HIS H 1 93 HIS H 3.020 . 4.240 2.850 2.583 3.494 . 0 0 "[ . 1 . 2]" 1
372 1 93 HIS H 1 94 ILE H 2.910 . 4.020 2.792 2.186 3.574 . 0 0 "[ . 1 . 2]" 1
373 1 98 ARG H 1 99 PHE H 2.960 . 4.130 2.610 2.359 2.880 . 0 0 "[ . 1 . 2]" 1
374 1 99 PHE H 1 99 PHE HB2 2.780 . 3.770 2.513 2.394 2.656 . 0 0 "[ . 1 . 2]" 1
375 1 99 PHE H 1 99 PHE HB3 2.620 . 3.440 2.562 2.416 2.705 . 0 0 "[ . 1 . 2]" 1
376 1 99 PHE H 1 100 LYS H 2.760 . 3.730 2.666 2.534 2.826 . 0 0 "[ . 1 . 2]" 1
377 1 97 LYS HA 1 100 LYS H 3.090 . 4.380 3.734 3.298 4.240 . 0 0 "[ . 1 . 2]" 1
378 1 98 ARG HA 1 100 LYS H 3.540 . 5.280 4.411 4.072 4.675 . 0 0 "[ . 1 . 2]" 1
379 1 99 PHE HB2 1 100 LYS H 3.180 . 4.560 3.814 3.706 3.902 . 0 0 "[ . 1 . 2]" 1
380 1 99 PHE HB3 1 100 LYS H 3.020 . 4.240 2.533 2.373 2.737 . 0 0 "[ . 1 . 2]" 1
381 1 100 LYS H 1 100 LYS HB2 2.660 . 3.520 2.378 2.122 2.579 . 0 0 "[ . 1 . 2]" 1
382 1 100 LYS H 1 100 LYS HB3 2.660 . 3.520 2.981 2.462 3.595 0.075 13 0 "[ . 1 . 2]" 1
383 1 100 LYS H 1 102 ILE H 3.270 . 4.740 4.264 4.059 4.435 . 0 0 "[ . 1 . 2]" 1
384 1 97 LYS HA 1 101 ASP H 3.430 . 5.060 4.369 3.831 4.898 . 0 0 "[ . 1 . 2]" 1
385 1 98 ARG HA 1 101 ASP H 3.120 . 4.450 3.436 3.135 3.714 . 0 0 "[ . 1 . 2]" 1
386 1 99 PHE H 1 101 ASP H 3.560 . 5.320 4.119 3.747 4.374 . 0 0 "[ . 1 . 2]" 1
387 1 100 LYS H 1 101 ASP H 2.660 . 3.520 2.641 2.496 2.760 . 0 0 "[ . 1 . 2]" 1
388 1 100 LYS HB2 1 101 ASP H 2.750 . 3.700 3.350 2.414 3.781 0.081 10 0 "[ . 1 . 2]" 1
389 1 100 LYS HB3 1 101 ASP H 2.750 . 3.700 2.882 2.346 3.731 0.031 11 0 "[ . 1 . 2]" 1
390 1 101 ASP H 1 101 ASP HB2 2.640 . 3.480 2.467 2.277 2.643 . 0 0 "[ . 1 . 2]" 1
391 1 101 ASP H 1 101 ASP HB3 2.550 . 3.300 2.631 2.454 3.504 0.204 18 0 "[ . 1 . 2]" 1
392 1 101 ASP H 1 102 ILE H 2.620 . 3.440 2.752 2.635 2.877 . 0 0 "[ . 1 . 2]" 1
393 1 98 ARG HA 1 102 ILE H 3.900 . 6.000 3.915 3.602 4.228 . 0 0 "[ . 1 . 2]" 1
394 1 100 LYS HA 1 102 ILE H 3.650 . 5.500 4.621 4.471 4.784 . 0 0 "[ . 1 . 2]" 1
395 1 101 ASP HB2 1 102 ILE H 2.750 . 3.700 3.690 2.618 3.822 0.122 14 0 "[ . 1 . 2]" 1
396 1 101 ASP HB3 1 102 ILE H 2.780 . 3.770 2.472 2.310 3.385 . 0 0 "[ . 1 . 2]" 1
397 1 102 ILE H 1 102 ILE HB 2.530 . 3.260 2.507 2.451 2.566 . 0 0 "[ . 1 . 2]" 1
398 1 102 ILE H 1 104 GLU H 3.660 . 5.530 4.201 4.076 4.326 . 0 0 "[ . 1 . 2]" 1
399 1 99 PHE HA 1 103 THR H 3.110 . 4.420 4.055 3.838 4.355 . 0 0 "[ . 1 . 2]" 1
400 1 100 LYS HA 1 103 THR H 2.730 . 3.660 3.550 3.176 3.737 0.077 9 0 "[ . 1 . 2]" 1
401 1 101 ASP H 1 103 THR H 3.660 . 5.530 4.185 3.880 4.353 . 0 0 "[ . 1 . 2]" 1
402 1 102 ILE H 1 103 THR H 2.480 . 3.160 2.774 2.701 2.843 . 0 0 "[ . 1 . 2]" 1
403 1 102 ILE HB 1 103 THR H 2.710 . 3.620 2.518 2.372 2.654 . 0 0 "[ . 1 . 2]" 1
404 1 103 THR H 1 103 THR HB 2.440 . 3.080 2.630 2.604 2.691 . 0 0 "[ . 1 . 2]" 1
405 1 103 THR H 1 104 GLU H 2.490 . 3.190 2.753 2.639 2.831 . 0 0 "[ . 1 . 2]" 1
406 1 103 THR HB 1 104 GLU H 2.660 . 3.520 2.486 2.378 2.603 . 0 0 "[ . 1 . 2]" 1
407 1 104 GLU H 1 104 GLU HB2 2.670 . 3.550 2.329 2.064 2.523 . 0 0 "[ . 1 . 2]" 1
408 1 104 GLU H 1 104 GLU HB3 2.670 . 3.550 3.117 2.472 3.577 0.027 6 0 "[ . 1 . 2]" 1
409 1 101 ASP HA 1 105 SER H 2.850 . 3.910 3.914 3.733 4.011 0.101 7 0 "[ . 1 . 2]" 1
410 1 102 ILE HA 1 105 SER H 2.730 . 3.660 3.522 3.227 3.692 0.032 7 0 "[ . 1 . 2]" 1
411 1 103 THR H 1 105 SER H 3.270 . 4.740 4.246 4.061 4.392 . 0 0 "[ . 1 . 2]" 1
412 1 103 THR HA 1 105 SER H 3.560 . 5.320 4.606 4.359 4.758 . 0 0 "[ . 1 . 2]" 1
413 1 104 GLU H 1 105 SER H 2.400 . 3.010 2.736 2.604 2.829 . 0 0 "[ . 1 . 2]" 1
414 1 104 GLU HB2 1 105 SER H 2.690 . 3.590 3.071 2.385 3.705 0.115 15 0 "[ . 1 . 2]" 1
415 1 104 GLU HB3 1 105 SER H 2.690 . 3.590 2.935 2.296 3.521 . 0 0 "[ . 1 . 2]" 1
416 1 105 SER H 1 106 VAL H 2.440 . 3.080 2.742 2.624 2.813 . 0 0 "[ . 1 . 2]" 1
417 1 105 SER H 1 107 LEU H 3.900 . 6.000 4.339 4.062 4.459 . 0 0 "[ . 1 . 2]" 1
418 1 102 ILE HA 1 106 VAL H 2.940 . 4.090 4.072 3.885 4.163 0.073 12 0 "[ . 1 . 2]" 1
419 1 103 THR HA 1 106 VAL H 3.160 . 4.520 3.620 3.466 3.839 . 0 0 "[ . 1 . 2]" 1
420 1 104 GLU H 1 106 VAL H 3.360 . 4.920 4.183 4.004 4.305 . 0 0 "[ . 1 . 2]" 1
421 1 104 GLU HA 1 106 VAL H 3.570 . 5.350 4.453 4.312 4.607 . 0 0 "[ . 1 . 2]" 1
422 1 106 VAL H 1 106 VAL HB 2.350 . 2.900 2.500 2.427 2.543 . 0 0 "[ . 1 . 2]" 1
423 1 106 VAL H 1 107 LEU H 2.510 . 3.230 2.714 2.557 2.798 . 0 0 "[ . 1 . 2]" 1
424 1 103 THR HA 1 107 LEU H 3.590 . 5.390 3.930 3.793 4.114 . 0 0 "[ . 1 . 2]" 1
425 1 106 VAL HB 1 107 LEU H 2.510 . 3.230 2.430 2.325 2.543 . 0 0 "[ . 1 . 2]" 1
426 1 107 LEU H 1 107 LEU HB3 2.690 . 3.590 3.551 3.475 3.593 0.003 15 0 "[ . 1 . 2]" 1
427 1 107 LEU H 1 107 LEU HB2 2.570 . 3.340 2.329 2.164 2.472 . 0 0 "[ . 1 . 2]" 1
428 1 104 GLU HA 1 108 TYR H 2.750 . 3.700 3.716 3.490 3.790 0.090 15 0 "[ . 1 . 2]" 1
429 1 106 VAL H 1 108 TYR H 3.540 . 5.280 4.120 4.029 4.250 . 0 0 "[ . 1 . 2]" 1
430 1 107 LEU H 1 108 TYR H 2.460 . 3.120 2.759 2.698 2.826 . 0 0 "[ . 1 . 2]" 1
431 1 107 LEU HB3 1 108 TYR H 2.750 . 3.700 3.423 3.151 3.619 . 0 0 "[ . 1 . 2]" 1
432 1 107 LEU HB2 1 108 TYR H 2.750 . 3.700 2.709 2.449 2.903 . 0 0 "[ . 1 . 2]" 1
433 1 108 TYR H 1 108 TYR HB3 2.460 . 3.120 2.580 2.350 2.876 . 0 0 "[ . 1 . 2]" 1
434 1 108 TYR H 1 108 TYR HB2 2.420 . 3.050 2.474 2.210 2.657 . 0 0 "[ . 1 . 2]" 1
435 1 105 SER HA 1 109 THR H 3.430 . 5.060 4.204 3.928 4.576 . 0 0 "[ . 1 . 2]" 1
436 1 106 VAL HA 1 109 THR H 3.050 . 4.310 3.671 3.452 3.838 . 0 0 "[ . 1 . 2]" 1
437 1 107 LEU H 1 109 THR H 3.680 . 5.570 4.330 4.157 4.544 . 0 0 "[ . 1 . 2]" 1
438 1 107 LEU HA 1 109 THR H 3.290 . 4.780 4.472 4.313 4.673 . 0 0 "[ . 1 . 2]" 1
439 1 108 TYR H 1 109 THR H 2.550 . 3.300 2.787 2.628 2.900 . 0 0 "[ . 1 . 2]" 1
440 1 108 TYR HB3 1 109 THR H 2.530 . 3.260 2.462 2.330 2.598 . 0 0 "[ . 1 . 2]" 1
441 1 108 TYR HB2 1 109 THR H 2.850 . 3.910 3.769 3.581 3.864 . 0 0 "[ . 1 . 2]" 1
442 1 109 THR H 1 109 THR HB 2.580 . 3.370 2.561 2.482 2.611 . 0 0 "[ . 1 . 2]" 1
443 1 109 THR H 1 110 LEU H 2.620 . 3.440 2.646 2.520 2.755 . 0 0 "[ . 1 . 2]" 1
444 1 109 THR H 1 111 HIS H 3.810 . 5.820 4.169 4.056 4.260 . 0 0 "[ . 1 . 2]" 1
445 1 106 VAL HA 1 110 LEU H 3.560 . 5.320 4.120 3.895 4.329 . 0 0 "[ . 1 . 2]" 1
446 1 108 TYR H 1 110 LEU H 3.720 . 5.640 4.125 3.987 4.276 . 0 0 "[ . 1 . 2]" 1
447 1 108 TYR HA 1 110 LEU H 3.360 . 4.920 4.556 4.446 4.704 . 0 0 "[ . 1 . 2]" 1
448 1 109 THR HB 1 110 LEU H 3.030 . 4.270 2.593 2.497 2.757 . 0 0 "[ . 1 . 2]" 1
449 1 110 LEU H 1 110 LEU HB2 2.750 . 3.700 2.465 2.430 2.517 . 0 0 "[ . 1 . 2]" 1
450 1 110 LEU H 1 110 LEU HB3 2.750 . 3.700 3.589 3.578 3.604 . 0 0 "[ . 1 . 2]" 1
451 1 110 LEU H 1 111 HIS H 2.690 . 3.590 2.728 2.690 2.788 . 0 0 "[ . 1 . 2]" 1
452 1 107 LEU HA 1 111 HIS H 3.210 . 4.630 3.903 3.717 4.090 . 0 0 "[ . 1 . 2]" 1
453 1 108 TYR HA 1 111 HIS H 3.020 . 4.240 3.660 3.385 3.947 . 0 0 "[ . 1 . 2]" 1
454 1 109 THR HA 1 111 HIS H 3.410 . 5.030 4.409 4.306 4.530 . 0 0 "[ . 1 . 2]" 1
455 1 110 LEU HB2 1 111 HIS H 2.750 . 3.700 2.615 2.514 2.728 . 0 0 "[ . 1 . 2]" 1
456 1 110 LEU HB3 1 111 HIS H 2.750 . 3.700 3.588 3.512 3.677 . 0 0 "[ . 1 . 2]" 1
457 1 111 HIS H 1 111 HIS HB2 2.710 . 3.620 2.377 2.204 2.523 . 0 0 "[ . 1 . 2]" 1
458 1 111 HIS H 1 111 HIS HB3 2.710 . 3.620 3.583 3.511 3.622 0.002 12 0 "[ . 1 . 2]" 1
459 1 111 HIS H 1 113 VAL H 3.610 . 5.420 4.243 4.087 4.366 . 0 0 "[ . 1 . 2]" 1
460 1 108 TYR HA 1 112 ALA H 3.290 . 4.780 4.411 4.192 4.806 0.026 19 0 "[ . 1 . 2]" 1
461 1 109 THR HA 1 112 ALA H 2.910 . 4.020 3.371 3.225 3.526 . 0 0 "[ . 1 . 2]" 1
462 1 110 LEU H 1 112 ALA H 3.120 . 4.450 4.057 3.900 4.143 . 0 0 "[ . 1 . 2]" 1
463 1 110 LEU HA 1 112 ALA H 3.020 . 4.240 4.253 4.169 4.293 0.053 2 0 "[ . 1 . 2]" 1
464 1 111 HIS H 1 112 ALA H 2.420 . 3.050 2.600 2.523 2.714 . 0 0 "[ . 1 . 2]" 1
465 1 111 HIS HB2 1 112 ALA H 2.850 . 3.910 2.801 2.588 3.072 . 0 0 "[ . 1 . 2]" 1
466 1 111 HIS HB3 1 112 ALA H 2.850 . 3.910 3.597 3.282 3.799 . 0 0 "[ . 1 . 2]" 1
467 1 112 ALA H 1 114 LYS H 2.960 . 4.130 4.058 3.864 4.151 0.021 14 0 "[ . 1 . 2]" 1
468 1 109 THR HA 1 113 VAL H 3.030 . 4.270 4.210 4.038 4.347 0.077 12 0 "[ . 1 . 2]" 1
469 1 110 LEU HA 1 113 VAL H 2.780 . 3.770 3.461 3.324 3.617 . 0 0 "[ . 1 . 2]" 1
470 1 111 HIS HA 1 113 VAL H 3.290 . 4.780 4.499 4.310 4.673 . 0 0 "[ . 1 . 2]" 1
471 1 112 ALA H 1 113 VAL H 2.460 . 3.120 2.652 2.539 2.759 . 0 0 "[ . 1 . 2]" 1
472 1 113 VAL H 1 113 VAL HB 2.350 . 2.900 2.559 2.504 2.602 . 0 0 "[ . 1 . 2]" 1
473 1 113 VAL H 1 114 LYS H 2.350 . 2.900 2.543 2.457 2.667 . 0 0 "[ . 1 . 2]" 1
474 1 110 LEU HA 1 114 LYS H 3.140 . 4.490 3.906 3.727 4.099 . 0 0 "[ . 1 . 2]" 1
475 1 111 HIS HA 1 114 LYS H 2.850 . 3.910 3.573 3.341 3.874 . 0 0 "[ . 1 . 2]" 1
476 1 112 ALA HA 1 114 LYS H 3.360 . 4.920 4.587 4.362 4.749 . 0 0 "[ . 1 . 2]" 1
477 1 113 VAL HB 1 114 LYS H 2.820 . 3.840 2.562 2.350 2.811 . 0 0 "[ . 1 . 2]" 1
478 1 114 LYS H 1 114 LYS HB2 2.550 . 3.300 2.437 2.265 2.606 . 0 0 "[ . 1 . 2]" 1
479 1 114 LYS H 1 114 LYS HB3 2.530 . 3.260 2.550 2.424 2.655 . 0 0 "[ . 1 . 2]" 1
480 1 111 HIS HA 1 115 ASP H 3.180 . 4.560 4.061 3.670 4.431 . 0 0 "[ . 1 . 2]" 1
481 1 112 ALA HA 1 115 ASP H 2.870 . 3.950 3.707 3.454 3.887 . 0 0 "[ . 1 . 2]" 1
482 1 113 VAL H 1 115 ASP H 3.410 . 5.030 4.098 3.899 4.328 . 0 0 "[ . 1 . 2]" 1
483 1 113 VAL HA 1 115 ASP H 3.860 . 5.930 4.330 4.153 4.602 . 0 0 "[ . 1 . 2]" 1
484 1 114 LYS H 1 115 ASP H 2.400 . 3.010 2.757 2.677 2.832 . 0 0 "[ . 1 . 2]" 1
485 1 114 LYS HB2 1 115 ASP H 2.820 . 3.840 3.836 3.701 3.933 0.093 4 0 "[ . 1 . 2]" 1
486 1 114 LYS HB3 1 115 ASP H 2.510 . 3.230 2.573 2.455 2.700 . 0 0 "[ . 1 . 2]" 1
487 1 115 ASP H 1 115 ASP HB2 2.550 . 3.300 2.472 2.186 2.630 . 0 0 "[ . 1 . 2]" 1
488 1 115 ASP H 1 115 ASP HB3 2.550 . 3.300 2.652 2.483 2.949 . 0 0 "[ . 1 . 2]" 1
489 1 115 ASP H 1 116 GLU H 2.570 . 3.340 2.684 2.515 2.828 . 0 0 "[ . 1 . 2]" 1
490 1 115 ASP H 1 117 ILE H 3.320 . 4.850 4.158 4.017 4.369 . 0 0 "[ . 1 . 2]" 1
491 1 112 ALA HA 1 116 GLU H 3.860 . 5.930 4.394 4.022 4.843 . 0 0 "[ . 1 . 2]" 1
492 1 114 LYS H 1 116 GLU H 3.270 . 4.740 4.340 4.076 4.553 . 0 0 "[ . 1 . 2]" 1
493 1 115 ASP HB2 1 116 GLU H 2.960 . 4.130 3.769 3.365 3.929 . 0 0 "[ . 1 . 2]" 1
494 1 115 ASP HB3 1 116 GLU H 2.960 . 4.130 2.536 2.352 2.769 . 0 0 "[ . 1 . 2]" 1
495 1 116 GLU H 1 116 GLU HB2 2.730 . 3.660 2.557 2.143 3.629 . 0 0 "[ . 1 . 2]" 1
496 1 116 GLU H 1 116 GLU HB3 2.730 . 3.660 3.338 2.436 3.610 . 0 0 "[ . 1 . 2]" 1
497 1 113 VAL HA 1 117 ILE H 3.140 . 4.490 4.104 3.896 4.473 . 0 0 "[ . 1 . 2]" 1
498 1 114 LYS HA 1 117 ILE H 3.210 . 4.630 3.691 3.446 4.067 . 0 0 "[ . 1 . 2]" 1
499 1 115 ASP HA 1 117 ILE H 3.230 . 4.670 4.487 4.283 4.674 0.004 4 0 "[ . 1 . 2]" 1
500 1 116 GLU H 1 117 ILE H 2.670 . 3.550 2.720 2.556 2.880 . 0 0 "[ . 1 . 2]" 1
501 1 116 GLU HB2 1 117 ILE H 2.960 . 4.130 2.951 2.251 3.999 . 0 0 "[ . 1 . 2]" 1
502 1 116 GLU HB3 1 117 ILE H 2.960 . 4.130 3.480 2.577 4.168 0.038 9 0 "[ . 1 . 2]" 1
503 1 114 LYS HA 1 118 ALA H 3.470 . 5.140 4.218 3.840 4.485 . 0 0 "[ . 1 . 2]" 1
504 1 116 GLU H 1 118 ALA H 3.360 . 4.920 4.298 4.053 4.440 . 0 0 "[ . 1 . 2]" 1
505 1 117 ILE H 1 118 ALA H 2.480 . 3.160 2.757 2.685 2.875 . 0 0 "[ . 1 . 2]" 1
506 1 117 ILE HB 1 118 ALA H 2.580 . 3.370 2.506 2.376 2.702 . 0 0 "[ . 1 . 2]" 1
507 1 115 ASP HA 1 119 ARG H 3.140 . 4.490 4.224 3.941 4.536 0.046 17 0 "[ . 1 . 2]" 1
508 1 116 GLU HA 1 119 ARG H 3.480 . 5.170 3.280 2.868 3.665 . 0 0 "[ . 1 . 2]" 1
509 1 117 ILE H 1 119 ARG H 3.210 . 4.630 3.801 3.641 3.937 . 0 0 "[ . 1 . 2]" 1
510 1 117 ILE HA 1 119 ARG H 3.520 . 5.240 4.078 3.774 4.319 . 0 0 "[ . 1 . 2]" 1
511 1 118 ALA H 1 119 ARG H 2.460 . 3.120 2.480 2.203 2.572 . 0 0 "[ . 1 . 2]" 1
512 1 119 ARG H 1 119 ARG HB2 2.440 . 3.080 2.573 2.146 3.092 0.012 16 0 "[ . 1 . 2]" 1
513 1 119 ARG H 1 119 ARG HB3 2.580 . 3.370 2.529 2.133 2.957 . 0 0 "[ . 1 . 2]" 1
514 1 23 ARG HB2 1 25 GLN H 3.700 . 5.600 5.588 5.289 5.668 0.068 19 0 "[ . 1 . 2]" 1
515 1 40 ILE HA 1 43 ALA H 3.320 . 4.850 4.401 3.269 4.860 0.010 20 0 "[ . 1 . 2]" 1
516 1 41 LYS HA 1 44 VAL H 3.210 . 4.630 3.908 3.484 4.380 . 0 0 "[ . 1 . 2]" 1
517 1 42 PRO HA 1 45 GLU H 3.050 . 4.310 3.747 3.407 4.318 0.008 14 0 "[ . 1 . 2]" 1
518 1 48 ASP H 1 49 GLU QB 3.910 . 6.020 4.677 4.284 4.946 . 0 0 "[ . 1 . 2]" 1
519 1 56 GLU H 1 59 LEU H 3.430 . 5.060 4.707 4.643 4.817 . 0 0 "[ . 1 . 2]" 1
520 1 59 LEU H 1 62 ILE H 3.450 . 5.100 4.870 4.718 5.012 . 0 0 "[ . 1 . 2]" 1
521 1 61 LEU HA 1 65 ARG H 3.200 . 4.600 3.884 3.535 4.521 . 0 0 "[ . 1 . 2]" 1
522 1 63 LYS HA 1 65 ARG H 3.470 . 5.140 4.781 4.508 4.997 . 0 0 "[ . 1 . 2]" 1
523 1 70 VAL H 1 112 ALA HA 3.540 . 5.280 5.158 4.510 5.377 0.097 11 0 "[ . 1 . 2]" 1
524 1 71 HIS H 1 74 GLN HB2 2.660 . 3.520 2.497 2.048 2.854 . 0 0 "[ . 1 . 2]" 1
525 1 71 HIS H 1 74 GLN HB3 2.780 . 3.770 3.755 2.864 3.894 0.124 1 0 "[ . 1 . 2]" 1
526 1 76 GLU QB 1 78 VAL H 3.910 . 6.020 4.826 4.656 4.976 . 0 0 "[ . 1 . 2]" 1
527 1 82 PHE H 1 84 GLU QB 4.030 . 6.270 4.796 4.304 5.330 . 0 0 "[ . 1 . 2]" 1
528 1 89 SER H 1 91 VAL H 3.340 . 4.880 4.267 4.004 4.461 . 0 0 "[ . 1 . 2]" 1
529 1 90 TYR H 1 92 HIS H 3.270 . 4.740 3.633 3.316 3.866 . 0 0 "[ . 1 . 2]" 1
530 1 88 GLN HA 1 91 VAL H 2.890 . 3.980 3.352 2.731 4.019 0.039 11 0 "[ . 1 . 2]" 1
531 1 88 GLN HA 1 92 HIS H 2.960 . 4.130 3.225 2.217 4.128 . 0 0 "[ . 1 . 2]" 1
532 1 88 GLN HA 1 93 HIS H 3.120 . 4.450 3.142 2.592 4.294 . 0 0 "[ . 1 . 2]" 1
533 1 111 HIS H 1 114 LYS HB3 3.560 . 5.320 5.082 4.811 5.335 0.015 10 0 "[ . 1 . 2]" 1
534 1 112 ALA H 1 113 VAL HB 3.720 . 5.640 4.930 4.857 5.089 . 0 0 "[ . 1 . 2]" 1
535 1 113 VAL H 1 114 LYS HB3 3.210 . 4.630 4.703 4.602 4.761 0.131 8 0 "[ . 1 . 2]" 1
536 1 116 GLU H 1 119 ARG HB3 3.270 . 4.740 4.779 4.414 4.935 0.195 4 0 "[ . 1 . 2]" 1
537 1 63 LYS H 1 65 ARG H 3.540 . 5.280 4.038 3.728 4.371 . 0 0 "[ . 1 . 2]" 1
538 1 37 PHE HA 1 41 LYS H 3.570 . 5.350 4.693 3.063 5.414 0.064 19 0 "[ . 1 . 2]" 1
539 1 36 PHE HA 1 40 ILE H 3.520 . 5.240 4.081 3.184 5.261 0.021 12 0 "[ . 1 . 2]" 1
540 1 7 LEU HG 1 8 GLU H 3.390 . 4.990 4.109 3.578 5.014 0.024 8 0 "[ . 1 . 2]" 1
541 1 8 GLU H 1 8 GLU HG2 3.090 . 4.380 3.373 1.794 4.452 0.072 11 0 "[ . 1 . 2]" 1
542 1 8 GLU H 1 8 GLU HG3 3.090 . 4.380 3.534 1.773 4.466 0.086 2 0 "[ . 1 . 2]" 1
543 1 8 GLU HG2 1 9 MET H 3.610 . 5.420 3.969 2.066 5.127 . 0 0 "[ . 1 . 2]" 1
544 1 8 GLU HG3 1 9 MET H 3.610 . 5.420 4.237 1.796 5.090 0.004 6 0 "[ . 1 . 2]" 1
545 1 9 MET H 1 9 MET HG2 3.430 . 5.060 3.894 3.370 4.513 . 0 0 "[ . 1 . 2]" 1
546 1 9 MET H 1 9 MET HG3 3.430 . 5.060 3.069 2.125 4.475 . 0 0 "[ . 1 . 2]" 1
547 1 11 GLU HG2 1 12 GLN H 3.900 . 6.000 4.462 4.100 5.072 . 0 0 "[ . 1 . 2]" 1
548 1 12 GLN H 1 12 GLN HG2 3.290 . 4.780 4.408 3.443 4.620 . 0 0 "[ . 1 . 2]" 1
549 1 12 GLN HB2 1 12 GLN HE21 3.900 . 6.000 4.298 3.912 4.559 . 0 0 "[ . 1 . 2]" 1
550 1 12 GLN HB3 1 12 GLN HE21 3.900 . 6.000 4.267 2.803 4.543 . 0 0 "[ . 1 . 2]" 1
551 1 12 GLN HB2 1 12 GLN HE22 3.900 . 6.000 4.697 4.416 5.365 . 0 0 "[ . 1 . 2]" 1
552 1 12 GLN HB3 1 12 GLN HE22 3.900 . 6.000 4.842 3.802 5.355 . 0 0 "[ . 1 . 2]" 1
553 1 13 MET H 1 13 MET QG 4.090 . 6.380 3.396 2.193 3.988 . 0 0 "[ . 1 . 2]" 1
554 1 14 ILE H 1 14 ILE QG 4.340 . 6.880 2.139 2.072 2.249 . 0 0 "[ . 1 . 2]" 1
555 1 14 ILE QG 1 15 GLU H 4.340 . 6.880 3.987 3.890 4.042 . 0 0 "[ . 1 . 2]" 1
556 1 15 GLU HG3 1 16 VAL H 3.700 . 5.600 4.607 3.616 5.073 . 0 0 "[ . 1 . 2]" 1
557 1 18 GLU HG2 1 19 LYS H 3.900 . 6.000 4.781 4.366 5.067 . 0 0 "[ . 1 . 2]" 1
558 1 19 LYS HG2 1 20 GLY H 3.900 . 6.000 5.062 4.237 5.545 . 0 0 "[ . 1 . 2]" 1
559 1 19 LYS HG3 1 20 GLY H 3.900 . 6.000 4.879 4.387 5.449 . 0 0 "[ . 1 . 2]" 1
560 1 19 LYS QD 1 20 GLY H 4.340 . 6.880 4.813 4.285 5.465 . 0 0 "[ . 1 . 2]" 1
561 1 23 ARG H 1 23 ARG QG 4.030 . 6.270 3.995 3.896 4.063 . 0 0 "[ . 1 . 2]" 1
562 1 23 ARG QG 1 24 TYR H 4.340 . 6.880 3.969 3.337 4.419 . 0 0 "[ . 1 . 2]" 1
563 1 24 TYR QD 1 25 GLN H 4.960 . 8.130 3.771 3.366 4.249 . 0 0 "[ . 1 . 2]" 1
564 1 25 GLN H 1 25 GLN QG 3.910 . 6.020 3.652 2.319 4.065 . 0 0 "[ . 1 . 2]" 1
565 1 37 PHE QD 1 38 GLU H 4.960 . 8.130 3.831 1.991 4.847 . 0 0 "[ . 1 . 2]" 1
566 1 38 GLU HG2 1 39 THR H 3.900 . 6.000 4.214 2.687 5.100 . 0 0 "[ . 1 . 2]" 1
567 1 40 ILE H 1 40 ILE HG12 3.900 . 6.000 3.442 2.175 4.073 . 0 0 "[ . 1 . 2]" 1
568 1 40 ILE H 1 40 ILE HG13 3.900 . 6.000 2.765 1.997 3.842 . 0 0 "[ . 1 . 2]" 1
569 1 45 GLU H 1 45 GLU HG2 2.820 . 3.840 3.144 2.040 3.917 0.077 7 0 "[ . 1 . 2]" 1
570 1 45 GLU HG2 1 46 GLU H 3.840 . 5.890 4.770 3.990 5.179 . 0 0 "[ . 1 . 2]" 1
571 1 47 ASN H 1 47 ASN HD21 3.660 . 5.530 2.996 2.104 4.614 . 0 0 "[ . 1 . 2]" 1
572 1 47 ASN H 1 47 ASN HD22 3.660 . 5.530 3.920 3.542 4.814 . 0 0 "[ . 1 . 2]" 1
573 1 50 LEU H 1 50 LEU HG 3.300 . 4.810 4.500 4.230 4.548 . 0 0 "[ . 1 . 2]" 1
574 1 50 LEU HG 1 51 ALA H 3.290 . 4.780 4.159 3.924 4.812 0.032 17 0 "[ . 1 . 2]" 1
575 1 53 ARG H 1 53 ARG HG3 2.980 . 4.160 4.128 3.537 4.391 0.231 8 0 "[ . 1 . 2]" 1
576 1 53 ARG HG2 1 54 TRP H 3.770 . 5.750 4.876 4.513 5.091 . 0 0 "[ . 1 . 2]" 1
577 1 53 ARG HG3 1 54 TRP H 3.770 . 5.750 5.082 3.891 5.333 . 0 0 "[ . 1 . 2]" 1
578 1 53 ARG QD 1 54 TRP H 4.340 . 6.880 4.437 3.691 5.206 . 0 0 "[ . 1 . 2]" 1
579 1 59 LEU H 1 59 LEU HG 2.760 . 3.730 2.516 2.398 2.702 . 0 0 "[ . 1 . 2]" 1
580 1 59 LEU HG 1 60 GLU H 3.520 . 5.240 4.568 4.446 4.680 . 0 0 "[ . 1 . 2]" 1
581 1 61 LEU H 1 61 LEU HG 3.390 . 4.990 4.258 3.962 4.552 . 0 0 "[ . 1 . 2]" 1
582 1 62 ILE H 1 62 ILE QG 3.530 . 5.260 2.083 1.954 2.284 . 0 0 "[ . 1 . 2]" 1
583 1 62 ILE QG 1 63 LYS H 3.650 . 5.510 2.571 2.249 2.897 . 0 0 "[ . 1 . 2]" 1
584 1 63 LYS HG3 1 64 VAL H 3.750 . 5.710 3.998 2.381 5.027 . 0 0 "[ . 1 . 2]" 1
585 1 63 LYS HD2 1 64 VAL H 3.900 . 6.000 4.194 3.197 5.542 . 0 0 "[ . 1 . 2]" 1
586 1 63 LYS HD3 1 64 VAL H 3.900 . 6.000 3.845 2.340 5.406 . 0 0 "[ . 1 . 2]" 1
587 1 65 ARG H 1 65 ARG QG 4.010 . 6.230 2.993 1.975 4.072 . 0 0 "[ . 1 . 2]" 1
588 1 72 LYS QG 1 73 GLU H 4.340 . 6.880 3.222 1.854 4.346 . 0 0 "[ . 1 . 2]" 1
589 1 74 GLN HG3 1 75 ILE H 3.900 . 6.000 4.855 4.484 5.134 . 0 0 "[ . 1 . 2]" 1
590 1 75 ILE H 1 75 ILE HG12 3.050 . 4.310 3.189 1.969 3.949 . 0 0 "[ . 1 . 2]" 1
591 1 75 ILE H 1 75 ILE HG13 3.050 . 4.310 2.385 1.939 3.668 . 0 0 "[ . 1 . 2]" 1
592 1 75 ILE HG12 1 76 GLU H 3.900 . 6.000 4.861 4.015 5.118 . 0 0 "[ . 1 . 2]" 1
593 1 75 ILE HG13 1 76 GLU H 3.900 . 6.000 4.356 4.077 4.979 . 0 0 "[ . 1 . 2]" 1
594 1 76 GLU H 1 76 GLU HG2 2.890 . 3.980 3.113 1.952 3.615 . 0 0 "[ . 1 . 2]" 1
595 1 76 GLU H 1 76 GLU HG3 2.890 . 3.980 2.587 2.073 3.710 . 0 0 "[ . 1 . 2]" 1
596 1 76 GLU HG2 1 77 ALA H 3.520 . 5.240 4.818 4.007 5.070 . 0 0 "[ . 1 . 2]" 1
597 1 76 GLU HG3 1 77 ALA H 3.520 . 5.240 4.435 4.106 5.071 . 0 0 "[ . 1 . 2]" 1
598 1 79 LYS H 1 79 LYS HG2 3.560 . 5.320 4.450 4.301 4.517 . 0 0 "[ . 1 . 2]" 1
599 1 79 LYS H 1 79 LYS HG3 3.560 . 5.320 4.490 4.371 4.604 . 0 0 "[ . 1 . 2]" 1
600 1 79 LYS HG3 1 80 ASP H 3.900 . 6.000 4.688 4.236 4.947 . 0 0 "[ . 1 . 2]" 1
601 1 79 LYS HD2 1 80 ASP H 3.900 . 6.000 4.952 3.552 5.832 . 0 0 "[ . 1 . 2]" 1
602 1 79 LYS HD3 1 80 ASP H 3.900 . 6.000 4.098 2.396 5.417 . 0 0 "[ . 1 . 2]" 1
603 1 81 ASN HA 1 81 ASN HD21 3.900 . 6.000 4.113 3.598 4.462 . 0 0 "[ . 1 . 2]" 1
604 1 81 ASN HA 1 81 ASN HD22 3.900 . 6.000 4.403 4.074 4.678 . 0 0 "[ . 1 . 2]" 1
605 1 82 PHE QD 1 83 LEU H 4.960 . 8.130 3.706 3.263 4.091 . 0 0 "[ . 1 . 2]" 1
606 1 83 LEU H 1 83 LEU HG 2.780 . 3.770 2.511 2.266 3.889 0.119 18 0 "[ . 1 . 2]" 1
607 1 83 LEU HG 1 84 GLU H 3.380 . 4.960 4.478 4.262 4.998 0.038 18 0 "[ . 1 . 2]" 1
608 1 84 GLU H 1 84 GLU QG 4.280 . 6.770 3.146 2.114 4.043 . 0 0 "[ . 1 . 2]" 1
609 1 84 GLU QG 1 85 LEU H 4.340 . 6.880 3.892 3.351 4.452 . 0 0 "[ . 1 . 2]" 1
610 1 85 LEU H 1 85 LEU HG 3.570 . 5.350 4.337 4.022 4.417 . 0 0 "[ . 1 . 2]" 1
611 1 85 LEU HG 1 86 VAL H 3.770 . 5.750 4.687 4.492 5.032 . 0 0 "[ . 1 . 2]" 1
612 1 87 LEU H 1 87 LEU HG 3.210 . 4.630 4.478 4.454 4.503 . 0 0 "[ . 1 . 2]" 1
613 1 87 LEU HG 1 88 GLN H 3.610 . 5.420 3.675 3.443 3.913 . 0 0 "[ . 1 . 2]" 1
614 1 88 GLN H 1 88 GLN QG 4.340 . 6.880 2.225 1.824 3.654 . 0 0 "[ . 1 . 2]" 1
615 1 94 ILE H 1 94 ILE HG12 3.790 . 5.780 3.354 1.947 5.072 . 0 0 "[ . 1 . 2]" 1
616 1 94 ILE H 1 94 ILE HG13 3.790 . 5.780 3.395 1.787 4.821 0.013 4 0 "[ . 1 . 2]" 1
617 1 97 LYS QD 1 98 ARG H 4.340 . 6.880 4.575 3.659 5.219 . 0 0 "[ . 1 . 2]" 1
618 1 98 ARG H 1 98 ARG QG 4.340 . 6.880 3.339 2.158 4.082 . 0 0 "[ . 1 . 2]" 1
619 1 98 ARG QG 1 99 PHE H 4.340 . 6.880 4.109 3.419 4.698 . 0 0 "[ . 1 . 2]" 1
620 1 100 LYS H 1 100 LYS HD2 3.900 . 6.000 4.672 2.478 5.162 . 0 0 "[ . 1 . 2]" 1
621 1 100 LYS H 1 100 LYS HD3 3.900 . 6.000 4.638 2.657 5.934 . 0 0 "[ . 1 . 2]" 1
622 1 100 LYS HG2 1 101 ASP H 3.900 . 6.000 4.572 3.491 5.220 . 0 0 "[ . 1 . 2]" 1
623 1 100 LYS HD2 1 101 ASP H 3.900 . 6.000 4.919 3.301 6.099 0.099 7 0 "[ . 1 . 2]" 1
624 1 100 LYS HD3 1 101 ASP H 3.900 . 6.000 4.859 3.586 5.875 . 0 0 "[ . 1 . 2]" 1
625 1 100 LYS QE 1 101 ASP H 4.340 . 6.880 5.523 3.249 6.420 . 0 0 "[ . 1 . 2]" 1
626 1 102 ILE H 1 102 ILE HG12 3.000 . 4.200 3.442 3.325 3.539 . 0 0 "[ . 1 . 2]" 1
627 1 102 ILE H 1 102 ILE HG13 3.000 . 4.200 2.198 2.075 2.334 . 0 0 "[ . 1 . 2]" 1
628 1 102 ILE HG13 1 103 THR H 3.900 . 6.000 4.288 4.177 4.408 . 0 0 "[ . 1 . 2]" 1
629 1 107 LEU H 1 107 LEU HG 2.890 . 3.980 2.864 2.301 4.030 0.050 8 0 "[ . 1 . 2]" 1
630 1 107 LEU HG 1 108 TYR H 3.560 . 5.320 4.700 4.347 5.200 . 0 0 "[ . 1 . 2]" 1
631 1 110 LEU H 1 110 LEU HG 2.640 . 3.480 2.306 2.235 2.402 . 0 0 "[ . 1 . 2]" 1
632 1 110 LEU HG 1 111 HIS H 3.340 . 4.880 4.397 4.309 4.477 . 0 0 "[ . 1 . 2]" 1
633 1 114 LYS H 1 114 LYS HG2 3.540 . 5.280 4.395 4.298 4.477 . 0 0 "[ . 1 . 2]" 1
634 1 114 LYS H 1 114 LYS HG3 3.540 . 5.280 4.480 4.418 4.563 . 0 0 "[ . 1 . 2]" 1
635 1 114 LYS QD 1 115 ASP H 4.340 . 6.880 3.999 3.302 5.114 . 0 0 "[ . 1 . 2]" 1
636 1 116 GLU H 1 116 GLU HG2 3.120 . 4.450 3.070 1.901 4.553 0.103 18 0 "[ . 1 . 2]" 1
637 1 116 GLU H 1 116 GLU HG3 3.120 . 4.450 3.181 1.996 4.471 0.021 19 0 "[ . 1 . 2]" 1
638 1 116 GLU HG2 1 117 ILE H 3.750 . 5.710 4.506 2.994 5.152 . 0 0 "[ . 1 . 2]" 1
639 1 116 GLU HG3 1 117 ILE H 3.750 . 5.710 4.349 2.221 5.106 . 0 0 "[ . 1 . 2]" 1
640 1 117 ILE H 1 117 ILE HG12 3.360 . 4.920 3.410 3.306 3.554 . 0 0 "[ . 1 . 2]" 1
641 1 117 ILE H 1 117 ILE HG13 3.360 . 4.920 2.147 1.985 2.314 . 0 0 "[ . 1 . 2]" 1
642 1 117 ILE HG12 1 118 ALA H 3.700 . 5.600 4.947 4.902 5.045 . 0 0 "[ . 1 . 2]" 1
643 1 117 ILE HG13 1 118 ALA H 3.700 . 5.600 4.233 4.102 4.394 . 0 0 "[ . 1 . 2]" 1
644 1 119 ARG H 1 119 ARG HG2 3.360 . 4.920 4.478 4.274 4.679 . 0 0 "[ . 1 . 2]" 1
645 1 119 ARG H 1 119 ARG HG3 3.360 . 4.920 4.447 3.935 4.589 . 0 0 "[ . 1 . 2]" 1
646 1 119 ARG H 1 119 ARG QD 4.340 . 6.880 4.467 3.515 4.815 . 0 0 "[ . 1 . 2]" 1
647 1 10 THR H 1 10 THR HG1 2.870 . 3.950 2.235 1.997 3.047 . 0 0 "[ . 1 . 2]" 1
648 1 10 THR HG1 1 11 GLU H 3.650 . 5.500 3.961 3.792 4.431 . 0 0 "[ . 1 . 2]" 1
649 1 10 THR H 1 54 TRP HE1 3.520 . 5.240 4.050 3.580 5.119 . 0 0 "[ . 1 . 2]" 1
650 1 11 GLU H 1 14 ILE QG 4.340 . 6.880 4.459 4.188 4.663 . 0 0 "[ . 1 . 2]" 1
651 1 7 LEU HG 1 11 GLU H 3.900 . 6.000 4.568 3.488 6.146 0.146 8 0 "[ . 1 . 2]" 1
652 1 17 ALA H 1 82 PHE QE 4.840 . 7.880 3.254 2.894 3.775 . 0 0 "[ . 1 . 2]" 1
653 1 18 GLU H 1 107 LEU HG 3.520 . 5.240 5.242 5.017 5.308 0.068 7 0 "[ . 1 . 2]" 1
654 1 41 LYS H 1 42 PRO HD2 3.900 . 6.000 2.162 1.760 2.979 0.040 13 0 "[ . 1 . 2]" 1
655 1 48 ASP H 1 83 LEU HG 3.900 . 6.000 6.005 5.541 6.055 0.055 15 0 "[ . 1 . 2]" 1
656 1 10 THR HG1 1 54 TRP HE1 3.390 . 4.990 2.784 2.346 3.780 . 0 0 "[ . 1 . 2]" 1
657 1 10 THR HB 1 54 TRP HE1 3.900 . 6.000 3.884 3.665 4.599 . 0 0 "[ . 1 . 2]" 1
658 1 10 THR HA 1 54 TRP HE1 3.470 . 5.140 2.922 2.557 3.550 . 0 0 "[ . 1 . 2]" 1
659 1 54 TRP HE3 1 55 ALA H 3.570 . 5.350 3.145 2.936 3.423 . 0 0 "[ . 1 . 2]" 1
660 1 74 GLN HE22 1 108 TYR QE 4.960 . 8.130 5.081 2.360 8.151 0.021 3 0 "[ . 1 . 2]" 1
661 1 74 GLN HE21 1 108 TYR QE 4.960 . 8.130 5.039 2.915 7.671 . 0 0 "[ . 1 . 2]" 1
662 1 54 TRP HZ3 1 78 VAL H 3.900 . 6.000 4.812 4.245 5.737 . 0 0 "[ . 1 . 2]" 1
663 1 78 VAL HA 1 81 ASN HD21 3.900 . 6.000 3.396 2.308 4.532 . 0 0 "[ . 1 . 2]" 1
664 1 78 VAL HA 1 81 ASN HD22 3.900 . 6.000 4.807 3.665 5.469 . 0 0 "[ . 1 . 2]" 1
665 1 89 SER H 1 99 PHE QE 4.960 . 8.130 3.784 2.760 4.750 . 0 0 "[ . 1 . 2]" 1
666 1 90 TYR H 1 90 TYR QE 4.960 . 8.130 4.755 4.548 4.968 . 0 0 "[ . 1 . 2]" 1
667 1 24 TYR QD 1 92 HIS H 4.960 . 8.130 5.784 4.304 7.444 . 0 0 "[ . 1 . 2]" 1
668 1 24 TYR QE 1 92 HIS H 4.960 . 8.130 5.344 2.941 8.148 0.018 19 0 "[ . 1 . 2]" 1
669 1 85 LEU HG 1 103 THR H 3.900 . 6.000 4.678 4.203 5.631 . 0 0 "[ . 1 . 2]" 1
670 1 103 THR H 1 103 THR HG1 2.820 . 3.840 2.014 1.854 2.199 . 0 0 "[ . 1 . 2]" 1
671 1 109 THR H 1 110 LEU HG 3.740 . 5.680 4.440 4.314 4.615 . 0 0 "[ . 1 . 2]" 1
672 1 13 MET QG 1 54 TRP HE1 4.340 . 6.880 5.725 3.706 6.527 . 0 0 "[ . 1 . 2]" 1
673 1 7 LEU MD2 1 8 GLU H 4.280 . 6.770 4.351 4.051 4.683 . 0 0 "[ . 1 . 2]" 1
674 1 7 LEU MD1 1 8 GLU H 4.240 . 6.690 4.338 3.489 4.619 . 0 0 "[ . 1 . 2]" 1
675 1 13 MET H 1 13 MET ME 3.830 . 5.870 4.393 4.011 5.808 . 0 0 "[ . 1 . 2]" 1
676 1 13 MET ME 1 14 ILE H 4.350 . 6.910 5.350 4.989 6.186 . 0 0 "[ . 1 . 2]" 1
677 1 16 VAL MG1 1 17 ALA H 3.240 . 4.680 3.397 3.224 3.537 . 0 0 "[ . 1 . 2]" 1
678 1 21 ALA MB 1 22 ASP H 2.930 . 4.070 2.508 2.388 2.662 . 0 0 "[ . 1 . 2]" 1
679 1 44 VAL H 1 44 VAL MG2 3.150 . 4.500 2.020 1.909 2.184 . 0 0 "[ . 1 . 2]" 1
680 1 50 LEU H 1 50 LEU MD1 3.620 . 5.440 3.647 2.720 3.876 . 0 0 "[ . 1 . 2]" 1
681 1 50 LEU H 1 50 LEU MD2 3.670 . 5.540 4.225 3.965 4.278 . 0 0 "[ . 1 . 2]" 1
682 1 50 LEU MD1 1 51 ALA H 4.160 . 6.520 4.596 4.440 4.674 . 0 0 "[ . 1 . 2]" 1
683 1 50 LEU MD2 1 51 ALA H 3.900 . 6.010 4.115 3.947 4.478 . 0 0 "[ . 1 . 2]" 1
684 1 51 ALA MB 1 52 ALA H 2.730 . 3.670 2.611 2.497 2.823 . 0 0 "[ . 1 . 2]" 1
685 1 52 ALA MB 1 53 ARG H 2.930 . 4.070 2.363 2.209 2.569 . 0 0 "[ . 1 . 2]" 1
686 1 59 LEU MD2 1 60 GLU H 4.050 . 6.300 4.664 4.629 4.694 . 0 0 "[ . 1 . 2]" 1
687 1 61 LEU MD2 1 62 ILE H 3.850 . 5.900 4.176 3.216 4.839 . 0 0 "[ . 1 . 2]" 1
688 1 61 LEU MD1 1 62 ILE H 3.830 . 5.870 4.462 3.204 4.689 . 0 0 "[ . 1 . 2]" 1
689 1 62 ILE MD 1 63 LYS H 4.260 . 6.730 4.253 3.934 4.556 . 0 0 "[ . 1 . 2]" 1
690 1 70 VAL H 1 70 VAL MG2 3.290 . 4.790 3.784 3.750 3.826 . 0 0 "[ . 1 . 2]" 1
691 1 78 VAL H 1 78 VAL MG2 2.910 . 4.030 2.220 2.090 2.352 . 0 0 "[ . 1 . 2]" 1
692 1 85 LEU H 1 85 LEU MD1 3.760 . 5.720 4.121 4.080 4.158 . 0 0 "[ . 1 . 2]" 1
693 1 85 LEU MD1 1 86 VAL H 4.260 . 6.730 4.485 4.376 4.599 . 0 0 "[ . 1 . 2]" 1
694 1 87 LEU H 1 87 LEU MD1 3.650 . 5.510 4.075 4.052 4.108 . 0 0 "[ . 1 . 2]" 1
695 1 87 LEU H 1 87 LEU MD2 3.700 . 5.610 4.242 4.228 4.266 . 0 0 "[ . 1 . 2]" 1
696 1 87 LEU MD1 1 88 GLN H 4.210 . 6.620 4.450 4.338 4.537 . 0 0 "[ . 1 . 2]" 1
697 1 94 ILE H 1 94 ILE MD 3.920 . 6.050 3.782 1.777 5.057 0.013 15 0 "[ . 1 . 2]" 1
698 1 102 ILE MG 1 103 THR H 3.760 . 5.720 3.223 3.059 3.366 . 0 0 "[ . 1 . 2]" 1
699 1 109 THR MG 1 110 LEU H 3.600 . 5.400 3.534 3.383 3.715 . 0 0 "[ . 1 . 2]" 1
700 1 110 LEU H 1 110 LEU MD2 3.650 . 5.510 3.317 3.176 3.402 . 0 0 "[ . 1 . 2]" 1
701 1 110 LEU H 1 110 LEU MD1 3.310 . 4.820 3.630 3.550 3.715 . 0 0 "[ . 1 . 2]" 1
702 1 113 VAL MG1 1 114 LYS H 3.650 . 5.510 3.483 3.349 3.679 . 0 0 "[ . 1 . 2]" 1
703 1 113 VAL MG2 1 114 LYS H 3.830 . 5.870 3.739 3.644 3.873 . 0 0 "[ . 1 . 2]" 1
704 1 117 ILE H 1 117 ILE MD 3.290 . 4.790 3.593 3.477 3.719 . 0 0 "[ . 1 . 2]" 1
705 1 117 ILE MG 1 118 ALA H 3.510 . 5.220 3.287 3.104 3.437 . 0 0 "[ . 1 . 2]" 1
706 1 117 ILE MD 1 118 ALA H 4.250 . 6.700 4.507 4.369 4.690 . 0 0 "[ . 1 . 2]" 1
707 1 118 ALA H 1 118 ALA MB 2.710 . 3.630 2.253 2.232 2.325 . 0 0 "[ . 1 . 2]" 1
708 1 118 ALA MB 1 119 ARG H 3.040 . 4.280 2.928 2.675 3.168 . 0 0 "[ . 1 . 2]" 1
709 1 7 LEU MD1 1 9 MET H 4.210 . 6.620 5.451 4.948 5.723 . 0 0 "[ . 1 . 2]" 1
710 1 7 LEU MD1 1 11 GLU H 4.300 . 6.800 3.762 3.106 4.277 . 0 0 "[ . 1 . 2]" 1
711 1 12 GLN HE21 1 50 LEU MD2 3.540 . 5.290 3.755 2.274 4.734 . 0 0 "[ . 1 . 2]" 1
712 1 12 GLN HE22 1 50 LEU MD2 3.540 . 5.290 4.413 2.786 5.342 0.052 8 0 "[ . 1 . 2]" 1
713 1 14 ILE H 1 110 LEU MD1 3.450 . 5.110 3.111 2.783 3.730 . 0 0 "[ . 1 . 2]" 1
714 1 15 GLU H 1 110 LEU MD1 4.410 . 7.020 4.809 4.653 5.349 . 0 0 "[ . 1 . 2]" 1
715 1 15 GLU H 1 16 VAL MG2 4.010 . 6.230 4.171 3.986 4.341 . 0 0 "[ . 1 . 2]" 1
716 1 17 ALA H 1 107 LEU MD2 4.070 . 6.340 4.265 3.840 4.622 . 0 0 "[ . 1 . 2]" 1
717 1 18 GLU H 1 107 LEU MD2 4.030 . 6.260 3.301 2.696 3.802 . 0 0 "[ . 1 . 2]" 1
718 1 14 ILE MG 1 18 GLU H 3.830 . 5.870 3.915 3.650 4.219 . 0 0 "[ . 1 . 2]" 1
719 1 18 GLU H 1 107 LEU MD1 4.410 . 7.020 4.083 3.207 4.619 . 0 0 "[ . 1 . 2]" 1
720 1 44 VAL H 1 86 VAL MG1 4.410 . 7.020 4.671 4.038 5.259 . 0 0 "[ . 1 . 2]" 1
721 1 43 ALA MB 1 47 ASN HD22 4.080 . 6.370 3.612 2.904 4.575 . 0 0 "[ . 1 . 2]" 1
722 1 47 ASN H 1 50 LEU MD2 4.410 . 7.020 4.857 4.635 5.240 . 0 0 "[ . 1 . 2]" 1
723 1 16 VAL MG1 1 47 ASN HD21 4.410 . 7.020 3.966 2.916 4.886 . 0 0 "[ . 1 . 2]" 1
724 1 49 GLU H 1 52 ALA MB 4.410 . 7.020 4.638 4.245 4.880 . 0 0 "[ . 1 . 2]" 1
725 1 51 ALA MB 1 54 TRP H 4.260 . 6.730 4.641 4.492 4.850 . 0 0 "[ . 1 . 2]" 1
726 1 54 TRP H 1 55 ALA MB 3.960 . 6.120 4.339 4.259 4.433 . 0 0 "[ . 1 . 2]" 1
727 1 50 LEU MD1 1 54 TRP H 4.410 . 7.020 4.978 4.642 5.399 . 0 0 "[ . 1 . 2]" 1
728 1 13 MET ME 1 54 TRP H 4.410 . 7.020 4.476 3.729 5.801 . 0 0 "[ . 1 . 2]" 1
729 1 6 LEU MD1 1 54 TRP HE1 3.960 . 6.120 4.333 3.359 5.704 . 0 0 "[ . 1 . 2]" 1
730 1 54 TRP HE1 1 110 LEU MD2 4.140 . 6.480 3.596 2.772 4.193 . 0 0 "[ . 1 . 2]" 1
731 1 56 GLU H 1 58 ALA MB 4.410 . 7.020 4.908 4.732 5.056 . 0 0 "[ . 1 . 2]" 1
732 1 55 ALA MB 1 58 ALA H 4.410 . 7.020 4.656 4.541 4.762 . 0 0 "[ . 1 . 2]" 1
733 1 6 LEU MD1 1 57 GLY H 4.410 . 7.020 4.002 3.178 4.787 . 0 0 "[ . 1 . 2]" 1
734 1 6 LEU MD2 1 61 LEU H 4.410 . 7.020 4.549 3.783 5.298 . 0 0 "[ . 1 . 2]" 1
735 1 62 ILE H 1 75 ILE MD 4.340 . 6.880 4.819 4.221 5.837 . 0 0 "[ . 1 . 2]" 1
736 1 70 VAL H 1 113 VAL MG2 4.410 . 7.020 4.580 3.830 5.127 . 0 0 "[ . 1 . 2]" 1
737 1 62 ILE MD 1 71 HIS H 4.410 . 7.020 5.925 4.875 6.939 . 0 0 "[ . 1 . 2]" 1
738 1 71 HIS H 1 75 ILE MD 4.410 . 7.020 4.469 3.605 5.239 . 0 0 "[ . 1 . 2]" 1
739 1 70 VAL MG2 1 75 ILE H 4.410 . 7.020 3.460 2.979 3.943 . 0 0 "[ . 1 . 2]" 1
740 1 75 ILE H 1 109 THR MG 4.080 . 6.370 4.019 3.513 4.825 . 0 0 "[ . 1 . 2]" 1
741 1 76 GLU H 1 77 ALA MB 4.010 . 6.230 4.243 4.124 4.390 . 0 0 "[ . 1 . 2]" 1
742 1 59 LEU MD1 1 76 GLU H 4.190 . 6.590 5.737 4.504 6.300 . 0 0 "[ . 1 . 2]" 1
743 1 78 VAL H 1 109 THR MG 4.050 . 6.300 4.409 4.084 4.816 . 0 0 "[ . 1 . 2]" 1
744 1 75 ILE MG 1 78 VAL H 4.410 . 7.020 4.857 4.579 4.985 . 0 0 "[ . 1 . 2]" 1
745 1 77 ALA MB 1 81 ASN HD21 4.300 . 6.800 3.165 2.609 4.733 . 0 0 "[ . 1 . 2]" 1
746 1 78 VAL MG1 1 81 ASN HD21 4.410 . 7.020 5.129 4.019 5.727 . 0 0 "[ . 1 . 2]" 1
747 1 77 ALA MB 1 81 ASN H 4.410 . 7.020 4.376 4.184 4.597 . 0 0 "[ . 1 . 2]" 1
748 1 82 PHE H 1 106 VAL MG2 3.810 . 5.830 3.681 3.148 4.165 . 0 0 "[ . 1 . 2]" 1
749 1 82 PHE H 1 106 VAL MG1 4.320 . 6.840 4.597 4.263 5.063 . 0 0 "[ . 1 . 2]" 1
750 1 84 GLU H 1 102 ILE MD 4.410 . 7.020 5.857 5.078 6.583 . 0 0 "[ . 1 . 2]" 1
751 1 85 LEU H 1 86 VAL MG2 4.410 . 7.020 4.220 4.123 4.315 . 0 0 "[ . 1 . 2]" 1
752 1 90 TYR H 1 91 VAL MG2 3.970 . 6.150 3.668 3.313 3.976 . 0 0 "[ . 1 . 2]" 1
753 1 93 HIS H 1 94 ILE MG 4.410 . 7.020 3.886 3.423 4.700 . 0 0 "[ . 1 . 2]" 1
754 1 94 ILE MG 1 99 PHE H 4.410 . 7.020 4.371 3.677 5.467 . 0 0 "[ . 1 . 2]" 1
755 1 21 ALA MB 1 103 THR H 4.410 . 7.020 5.533 4.787 6.145 . 0 0 "[ . 1 . 2]" 1
756 1 106 VAL H 1 107 LEU MD2 4.340 . 6.880 5.282 4.149 5.849 . 0 0 "[ . 1 . 2]" 1
757 1 85 LEU MD1 1 106 VAL H 3.690 . 5.580 4.538 4.172 4.995 . 0 0 "[ . 1 . 2]" 1
758 1 78 VAL MG2 1 109 THR H 3.790 . 5.790 4.051 3.501 4.928 . 0 0 "[ . 1 . 2]" 1
759 1 78 VAL MG2 1 110 LEU H 4.240 . 6.690 4.232 3.899 4.564 . 0 0 "[ . 1 . 2]" 1
760 1 111 HIS H 1 112 ALA MB 4.350 . 6.910 4.276 4.205 4.366 . 0 0 "[ . 1 . 2]" 1
761 1 14 ILE MD 1 111 HIS H 4.410 . 7.020 4.266 3.688 4.691 . 0 0 "[ . 1 . 2]" 1
762 1 112 ALA H 1 113 VAL MG2 4.410 . 7.020 4.040 3.895 4.132 . 0 0 "[ . 1 . 2]" 1
763 1 70 VAL MG2 1 112 ALA H 4.410 . 7.020 5.371 4.569 5.969 . 0 0 "[ . 1 . 2]" 1
764 1 70 VAL MG1 1 112 ALA H 4.410 . 7.020 6.059 5.287 6.573 . 0 0 "[ . 1 . 2]" 1
765 1 70 VAL MG1 1 113 VAL H 4.010 . 6.230 4.551 3.943 4.958 . 0 0 "[ . 1 . 2]" 1
766 1 18 GLU H 1 21 ALA MB 4.410 . 7.020 4.896 4.532 5.340 . 0 0 "[ . 1 . 2]" 1
767 1 16 VAL MG1 1 47 ASN HD22 4.410 . 7.020 2.842 1.889 3.788 . 0 0 "[ . 1 . 2]" 1
768 1 54 TRP HE1 1 113 VAL MG2 4.150 . 6.510 4.266 3.213 5.128 . 0 0 "[ . 1 . 2]" 1
769 1 13 MET H 1 50 LEU MD2 3.560 . 5.330 3.437 2.605 4.089 . 0 0 "[ . 1 . 2]" 1
770 1 8 GLU HA 1 11 GLU H 2.840 . 3.880 3.322 3.012 3.607 . 0 0 "[ . 1 . 2]" 1
771 1 8 GLU HA 1 11 GLU HB3 2.800 . 3.800 3.840 3.438 3.965 0.165 6 0 "[ . 1 . 2]" 1
772 1 10 THR HA 1 13 MET HB2 3.020 . 4.240 3.265 2.448 3.874 . 0 0 "[ . 1 . 2]" 1
773 1 10 THR HA 1 13 MET HB3 3.020 . 4.240 3.332 2.604 4.313 0.073 1 0 "[ . 1 . 2]" 1
774 1 7 LEU HA 1 10 THR HB 3.180 . 4.560 3.010 2.618 3.238 . 0 0 "[ . 1 . 2]" 1
775 1 11 GLU HA 1 14 ILE HB 2.870 . 3.950 2.753 2.476 3.028 . 0 0 "[ . 1 . 2]" 1
776 1 8 GLU HA 1 11 GLU HB2 2.800 . 3.800 2.290 1.903 2.441 . 0 0 "[ . 1 . 2]" 1
777 1 12 GLN HA 1 15 GLU HB3 3.590 . 5.390 3.024 2.683 3.430 . 0 0 "[ . 1 . 2]" 1
778 1 9 MET HA 1 12 GLN HB2 3.140 . 4.490 3.520 2.824 3.982 . 0 0 "[ . 1 . 2]" 1
779 1 9 MET HA 1 12 GLN HB3 3.140 . 4.490 3.006 2.433 3.802 . 0 0 "[ . 1 . 2]" 1
780 1 12 GLN HA 1 15 GLU HB2 3.590 . 5.390 3.602 3.107 4.081 . 0 0 "[ . 1 . 2]" 1
781 1 15 GLU HB2 1 16 VAL H 2.870 . 3.950 3.824 3.619 3.931 . 0 0 "[ . 1 . 2]" 1
782 1 16 VAL HA 1 19 LYS HB3 3.000 . 4.200 3.934 2.756 4.286 0.086 4 0 "[ . 1 . 2]" 1
783 1 16 VAL HA 1 19 LYS HB2 2.840 . 3.880 2.787 2.164 3.529 . 0 0 "[ . 1 . 2]" 1
784 1 13 MET HA 1 16 VAL HB 3.070 . 4.340 2.812 2.464 3.161 . 0 0 "[ . 1 . 2]" 1
785 1 15 GLU HA 1 18 GLU HB2 2.780 . 3.770 2.644 2.437 3.131 . 0 0 "[ . 1 . 2]" 1
786 1 15 GLU HA 1 18 GLU HB3 2.940 . 4.090 4.019 3.170 4.200 0.110 3 0 "[ . 1 . 2]" 1
787 1 19 LYS HA 1 22 ASP H 2.780 . 3.770 3.368 2.870 3.823 0.053 14 0 "[ . 1 . 2]" 1
788 1 19 LYS HA 1 22 ASP QB 3.080 . 4.360 2.361 1.740 3.302 0.060 15 0 "[ . 1 . 2]" 1
789 1 19 LYS H 1 19 LYS HB3 2.710 . 3.620 3.408 2.812 3.586 . 0 0 "[ . 1 . 2]" 1
790 1 19 LYS H 1 19 LYS HB2 2.550 . 3.300 2.213 2.057 2.392 . 0 0 "[ . 1 . 2]" 1
791 1 19 LYS HB2 1 20 GLY H 2.780 . 3.770 3.062 2.565 3.626 . 0 0 "[ . 1 . 2]" 1
792 1 20 GLY HA3 1 23 ARG HB2 3.430 . 5.060 4.918 4.245 5.136 0.076 13 0 "[ . 1 . 2]" 1
793 1 21 ALA HA 1 24 TYR HB2 3.320 . 4.850 3.563 2.705 4.422 . 0 0 "[ . 1 . 2]" 1
794 1 21 ALA HA 1 24 TYR HB3 3.320 . 4.850 2.799 2.391 3.234 . 0 0 "[ . 1 . 2]" 1
795 1 22 ASP HA 1 25 GLN H 3.320 . 4.850 3.327 2.900 3.724 . 0 0 "[ . 1 . 2]" 1
796 1 22 ASP HA 1 25 GLN HB2 2.800 . 3.800 3.195 2.349 3.979 0.179 6 0 "[ . 1 . 2]" 1
797 1 22 ASP HA 1 25 GLN HB3 2.800 . 3.800 2.840 2.229 3.887 0.087 10 0 "[ . 1 . 2]" 1
798 1 20 GLY HA2 1 23 ARG HB3 3.380 . 4.960 2.956 2.379 3.411 . 0 0 "[ . 1 . 2]" 1
799 1 20 GLY HA3 1 23 ARG HB3 3.320 . 4.850 4.518 4.019 4.914 0.064 15 0 "[ . 1 . 2]" 1
800 1 25 GLN H 1 25 GLN HB2 2.690 . 3.590 2.570 2.157 3.622 0.032 6 0 "[ . 1 . 2]" 1
801 1 25 GLN HB3 1 26 GLU H 3.390 . 4.990 2.829 2.259 4.032 . 0 0 "[ . 1 . 2]" 1
802 1 23 ARG HA 1 26 GLU QB 3.350 . 4.900 2.912 2.492 4.060 . 0 0 "[ . 1 . 2]" 1
803 1 38 GLU H 1 38 GLU HB3 2.730 . 3.660 3.503 2.501 3.628 . 0 0 "[ . 1 . 2]" 1
804 1 38 GLU HA 1 38 GLU HB3 2.310 . 2.830 2.650 2.451 3.001 0.171 18 0 "[ . 1 . 2]" 1
805 1 38 GLU HB3 1 39 THR H 2.840 . 3.880 2.963 1.770 3.908 0.030 19 0 "[ . 1 . 2]" 1
806 1 38 GLU H 1 38 GLU HB2 2.570 . 3.340 2.613 2.114 3.456 0.116 19 0 "[ . 1 . 2]" 1
807 1 38 GLU HA 1 38 GLU HB2 2.400 . 3.010 2.861 2.421 3.023 0.013 14 0 "[ . 1 . 2]" 1
808 1 38 GLU HB2 1 39 THR H 3.070 . 4.340 2.756 1.858 3.952 . 0 0 "[ . 1 . 2]" 1
809 1 42 PRO HB3 1 43 ALA H 3.180 . 4.560 4.002 3.787 4.326 . 0 0 "[ . 1 . 2]" 1
810 1 43 ALA HA 1 46 GLU H 2.910 . 4.020 3.571 3.370 3.780 . 0 0 "[ . 1 . 2]" 1
811 1 44 VAL HA 1 47 ASN HB2 3.320 . 4.850 3.088 2.249 3.583 . 0 0 "[ . 1 . 2]" 1
812 1 45 GLU HA 1 48 ASP HB3 2.910 . 4.020 2.871 2.353 3.365 . 0 0 "[ . 1 . 2]" 1
813 1 46 GLU HA 1 46 GLU HB3 2.330 . 2.870 2.652 2.415 2.998 0.128 7 0 "[ . 1 . 2]" 1
814 1 46 GLU HA 1 49 GLU H 2.980 . 4.160 3.909 3.678 4.157 . 0 0 "[ . 1 . 2]" 1
815 1 46 GLU HA 1 49 GLU QB 3.110 . 4.430 3.255 2.645 3.740 . 0 0 "[ . 1 . 2]" 1
816 1 43 ALA HA 1 46 GLU HB2 2.800 . 3.800 2.809 2.491 3.347 . 0 0 "[ . 1 . 2]" 1
817 1 43 ALA HA 1 46 GLU HB3 3.110 . 4.420 3.920 2.568 4.468 0.048 17 0 "[ . 1 . 2]" 1
818 1 46 GLU HB3 1 47 ASN H 2.510 . 3.230 2.948 1.970 3.375 0.145 10 0 "[ . 1 . 2]" 1
819 1 47 ASN HA 1 50 LEU HB3 3.660 . 5.530 2.463 2.108 3.451 . 0 0 "[ . 1 . 2]" 1
820 1 44 VAL HA 1 47 ASN HB3 3.560 . 5.320 4.721 3.853 5.263 . 0 0 "[ . 1 . 2]" 1
821 1 48 ASP HA 1 51 ALA H 2.910 . 4.020 3.779 3.468 4.032 0.012 4 0 "[ . 1 . 2]" 1
822 1 45 GLU HA 1 48 ASP HB2 2.910 . 4.020 3.638 2.990 4.060 0.040 16 0 "[ . 1 . 2]" 1
823 1 49 GLU HA 1 52 ALA H 2.760 . 3.730 3.522 3.036 3.752 0.022 14 0 "[ . 1 . 2]" 1
824 1 49 GLU H 1 49 GLU QB 2.830 . 3.860 2.368 2.067 2.522 . 0 0 "[ . 1 . 2]" 1
825 1 50 LEU HA 1 53 ARG HB2 2.960 . 4.130 3.480 2.647 4.159 0.029 8 0 "[ . 1 . 2]" 1
826 1 47 ASN HA 1 50 LEU HB2 3.660 . 5.530 2.496 2.136 3.032 . 0 0 "[ . 1 . 2]" 1
827 1 51 ALA HA 1 54 TRP H 3.180 . 4.560 3.521 3.303 3.826 . 0 0 "[ . 1 . 2]" 1
828 1 51 ALA HA 1 54 TRP HB3 3.120 . 4.450 2.554 2.177 3.009 . 0 0 "[ . 1 . 2]" 1
829 1 52 ALA HA 1 55 ALA H 3.030 . 4.270 3.724 3.523 3.943 . 0 0 "[ . 1 . 2]" 1
830 1 50 LEU HA 1 53 ARG HB3 2.960 . 4.130 3.871 3.023 4.243 0.113 11 0 "[ . 1 . 2]" 1
831 1 51 ALA HA 1 54 TRP HB2 3.120 . 4.450 3.392 2.931 3.981 . 0 0 "[ . 1 . 2]" 1
832 1 55 ALA HA 1 58 ALA H 3.160 . 4.520 3.512 3.348 3.662 . 0 0 "[ . 1 . 2]" 1
833 1 56 GLU H 1 56 GLU HA 2.350 . 2.900 2.769 2.729 2.794 . 0 0 "[ . 1 . 2]" 1
834 1 56 GLU HA 1 56 GLU HB2 2.400 . 3.010 2.799 2.393 3.013 0.003 12 0 "[ . 1 . 2]" 1
835 1 56 GLU HA 1 56 GLU HB3 2.400 . 3.010 2.761 2.504 3.023 0.013 4 0 "[ . 1 . 2]" 1
836 1 56 GLU HA 1 59 LEU H 2.960 . 4.130 3.733 3.459 3.913 . 0 0 "[ . 1 . 2]" 1
837 1 56 GLU HA 1 59 LEU HB3 3.050 . 4.310 4.267 3.924 4.406 0.096 4 0 "[ . 1 . 2]" 1
838 1 56 GLU HA 1 59 LEU HB2 2.890 . 3.980 2.756 2.407 2.943 . 0 0 "[ . 1 . 2]" 1
839 1 53 ARG HA 1 56 GLU HB2 2.890 . 3.980 2.763 2.332 3.439 . 0 0 "[ . 1 . 2]" 1
840 1 53 ARG HA 1 56 GLU HB3 2.890 . 3.980 3.493 2.348 4.092 0.112 9 0 "[ . 1 . 2]" 1
841 1 56 GLU HB3 1 57 GLY H 2.820 . 3.840 2.993 2.361 3.609 . 0 0 "[ . 1 . 2]" 1
842 1 57 GLY HA2 1 60 GLU HB2 3.450 . 5.100 3.145 2.979 3.225 . 0 0 "[ . 1 . 2]" 1
843 1 57 GLY HA3 1 60 GLU HB2 3.320 . 4.850 4.839 4.689 4.912 0.062 3 0 "[ . 1 . 2]" 1
844 1 58 ALA HA 1 61 LEU HB2 3.430 . 5.060 3.061 2.136 3.462 . 0 0 "[ . 1 . 2]" 1
845 1 57 GLY HA2 1 60 GLU HB3 3.450 . 5.100 2.878 2.589 3.219 . 0 0 "[ . 1 . 2]" 1
846 1 57 GLY HA3 1 60 GLU HB3 3.320 . 4.850 4.319 4.036 4.695 . 0 0 "[ . 1 . 2]" 1
847 1 58 ALA HA 1 61 LEU HB3 3.430 . 5.060 3.594 2.505 4.817 . 0 0 "[ . 1 . 2]" 1
848 1 59 LEU HA 1 62 ILE HB 3.410 . 5.030 4.881 4.671 5.082 0.052 6 0 "[ . 1 . 2]" 1
849 1 60 GLU HA 1 63 LYS QB 3.350 . 4.900 3.262 2.209 4.661 . 0 0 "[ . 1 . 2]" 1
850 1 63 LYS H 1 63 LYS QB 2.770 . 3.750 2.406 2.117 2.908 . 0 0 "[ . 1 . 2]" 1
851 1 63 LYS QB 1 64 VAL H 3.080 . 4.360 3.029 2.432 3.705 . 0 0 "[ . 1 . 2]" 1
852 1 61 LEU HA 1 64 VAL HB 2.780 . 3.770 3.121 2.700 3.597 . 0 0 "[ . 1 . 2]" 1
853 1 64 VAL H 1 64 VAL HB 2.420 . 3.050 2.494 2.407 2.542 . 0 0 "[ . 1 . 2]" 1
854 1 64 VAL HA 1 64 VAL HB 2.400 . 3.010 3.023 3.017 3.026 0.016 15 0 "[ . 1 . 2]" 1
855 1 70 VAL HB 1 71 HIS H 2.910 . 4.020 3.985 3.885 4.053 0.033 6 0 "[ . 1 . 2]" 1
856 1 71 HIS H 1 71 HIS HB2 2.850 . 3.910 2.629 2.267 2.965 . 0 0 "[ . 1 . 2]" 1
857 1 72 LYS HA 1 75 ILE HB 2.780 . 3.770 3.082 2.269 3.776 0.006 5 0 "[ . 1 . 2]" 1
858 1 72 LYS HB2 1 73 GLU H 3.160 . 4.520 3.742 2.227 4.063 . 0 0 "[ . 1 . 2]" 1
859 1 73 GLU HA 1 76 GLU H 3.050 . 4.310 3.665 3.193 4.055 . 0 0 "[ . 1 . 2]" 1
860 1 73 GLU HA 1 76 GLU QB 3.380 . 4.970 3.137 2.580 3.693 . 0 0 "[ . 1 . 2]" 1
861 1 76 GLU HA 1 79 LYS H 3.020 . 4.240 3.758 3.427 4.100 . 0 0 "[ . 1 . 2]" 1
862 1 76 GLU HA 1 79 LYS HB2 2.960 . 4.130 3.726 2.963 4.157 0.027 5 0 "[ . 1 . 2]" 1
863 1 76 GLU HA 1 79 LYS HB3 2.960 . 4.130 3.366 2.658 4.168 0.038 3 0 "[ . 1 . 2]" 1
864 1 78 VAL HA 1 81 ASN H 2.840 . 3.880 3.448 3.127 3.685 . 0 0 "[ . 1 . 2]" 1
865 1 78 VAL HA 1 81 ASN HB2 2.890 . 3.980 2.370 2.095 2.572 . 0 0 "[ . 1 . 2]" 1
866 1 78 VAL HA 1 81 ASN HB3 2.890 . 3.980 3.887 3.663 4.045 0.065 16 0 "[ . 1 . 2]" 1
867 1 75 ILE HA 1 78 VAL HB 2.940 . 4.090 2.916 2.685 3.188 . 0 0 "[ . 1 . 2]" 1
868 1 79 LYS HA 1 82 PHE HB3 2.800 . 3.800 3.338 2.835 3.664 . 0 0 "[ . 1 . 2]" 1
869 1 79 LYS HA 1 82 PHE HB2 2.820 . 3.840 3.809 3.491 3.913 0.073 19 0 "[ . 1 . 2]" 1
870 1 81 ASN HA 1 84 GLU QB 3.600 . 5.400 2.480 1.823 2.964 . 0 0 "[ . 1 . 2]" 1
871 1 82 PHE HA 1 85 LEU HB2 3.030 . 4.270 2.934 2.455 3.403 . 0 0 "[ . 1 . 2]" 1
872 1 83 LEU HA 1 86 VAL HB 2.660 . 3.520 3.172 2.653 3.411 . 0 0 "[ . 1 . 2]" 1
873 1 80 ASP HA 1 83 LEU HB3 3.320 . 4.850 4.780 4.512 4.930 0.080 6 0 "[ . 1 . 2]" 1
874 1 83 LEU H 1 83 LEU HB3 2.690 . 3.590 3.571 3.525 3.598 0.008 3 0 "[ . 1 . 2]" 1
875 1 80 ASP HA 1 83 LEU HB2 3.020 . 4.240 3.148 2.903 3.298 . 0 0 "[ . 1 . 2]" 1
876 1 84 GLU HA 1 87 LEU HB3 2.580 . 3.370 2.701 2.297 3.038 . 0 0 "[ . 1 . 2]" 1
877 1 84 GLU HA 1 87 LEU HB2 2.870 . 3.950 3.570 2.802 3.972 0.022 4 0 "[ . 1 . 2]" 1
878 1 82 PHE HA 1 85 LEU HB3 3.270 . 4.740 2.833 2.547 3.259 . 0 0 "[ . 1 . 2]" 1
879 1 85 LEU HB3 1 86 VAL H 2.800 . 3.800 2.363 2.270 2.592 . 0 0 "[ . 1 . 2]" 1
880 1 86 VAL HA 1 89 SER H 3.110 . 4.420 3.753 3.549 3.914 . 0 0 "[ . 1 . 2]" 1
881 1 87 LEU H 1 87 LEU HB3 2.910 . 4.020 2.508 2.471 2.541 . 0 0 "[ . 1 . 2]" 1
882 1 99 PHE HA 1 102 ILE H 3.200 . 4.600 3.705 3.287 4.100 . 0 0 "[ . 1 . 2]" 1
883 1 99 PHE HA 1 102 ILE HB 2.910 . 4.020 2.974 2.506 3.390 . 0 0 "[ . 1 . 2]" 1
884 1 101 ASP HA 1 104 GLU H 3.070 . 4.340 3.509 3.110 3.795 . 0 0 "[ . 1 . 2]" 1
885 1 101 ASP HA 1 104 GLU HB3 2.780 . 3.770 3.491 2.672 3.935 0.165 11 0 "[ . 1 . 2]" 1
886 1 98 ARG HA 1 101 ASP HB2 2.820 . 3.840 3.368 2.634 3.863 0.023 20 0 "[ . 1 . 2]" 1
887 1 98 ARG HA 1 101 ASP HB3 3.000 . 4.200 2.816 2.326 4.297 0.097 18 0 "[ . 1 . 2]" 1
888 1 103 THR HA 1 106 VAL HB 2.930 . 4.060 2.909 2.642 3.230 . 0 0 "[ . 1 . 2]" 1
889 1 100 LYS HA 1 103 THR HB 2.690 . 3.590 2.754 2.322 3.077 . 0 0 "[ . 1 . 2]" 1
890 1 104 GLU HA 1 107 LEU H 3.000 . 4.200 3.569 3.244 3.917 . 0 0 "[ . 1 . 2]" 1
891 1 104 GLU HA 1 107 LEU HB3 3.000 . 4.200 4.197 3.821 4.279 0.079 19 0 "[ . 1 . 2]" 1
892 1 104 GLU HA 1 107 LEU HB2 2.670 . 3.550 2.667 2.214 3.039 . 0 0 "[ . 1 . 2]" 1
893 1 101 ASP HA 1 104 GLU HB2 2.780 . 3.770 2.935 2.222 3.787 0.017 3 0 "[ . 1 . 2]" 1
894 1 105 SER HA 1 108 TYR H 3.070 . 4.340 3.745 3.504 3.951 . 0 0 "[ . 1 . 2]" 1
895 1 105 SER HA 1 108 TYR HB3 2.690 . 3.590 2.908 2.391 3.250 . 0 0 "[ . 1 . 2]" 1
896 1 105 SER HA 1 108 TYR HB2 2.840 . 3.880 3.579 3.187 3.889 0.009 20 0 "[ . 1 . 2]" 1
897 1 102 ILE HA 1 105 SER QB 2.970 . 4.150 2.796 2.450 3.896 . 0 0 "[ . 1 . 2]" 1
898 1 105 SER H 1 105 SER QB 2.790 . 3.790 2.419 2.188 2.654 . 0 0 "[ . 1 . 2]" 1
899 1 105 SER QB 1 106 VAL H 3.020 . 4.250 2.591 2.399 3.328 . 0 0 "[ . 1 . 2]" 1
900 1 106 VAL HA 1 109 THR HB 2.850 . 3.910 3.109 2.774 3.518 . 0 0 "[ . 1 . 2]" 1
901 1 107 LEU HA 1 110 LEU H 2.930 . 4.060 3.328 3.153 3.574 . 0 0 "[ . 1 . 2]" 1
902 1 107 LEU HA 1 110 LEU HB2 3.120 . 4.450 2.404 2.146 2.663 . 0 0 "[ . 1 . 2]" 1
903 1 107 LEU HA 1 110 LEU HB3 3.120 . 4.450 3.990 3.704 4.291 . 0 0 "[ . 1 . 2]" 1
904 1 108 TYR HA 1 111 HIS HB2 3.340 . 4.880 2.970 2.494 3.357 . 0 0 "[ . 1 . 2]" 1
905 1 111 HIS HA 1 114 LYS HB2 2.640 . 3.480 3.360 2.995 3.579 0.099 2 0 "[ . 1 . 2]" 1
906 1 111 HIS HA 1 114 LYS HB3 2.660 . 3.520 2.609 2.309 3.022 . 0 0 "[ . 1 . 2]" 1
907 1 108 TYR HA 1 111 HIS HB3 3.340 . 4.880 4.560 4.063 4.905 0.025 19 0 "[ . 1 . 2]" 1
908 1 113 VAL HA 1 116 GLU H 2.850 . 3.910 3.515 3.237 3.780 . 0 0 "[ . 1 . 2]" 1
909 1 113 VAL HA 1 116 GLU HB3 3.750 . 5.710 4.243 3.085 4.962 . 0 0 "[ . 1 . 2]" 1
910 1 110 LEU HA 1 113 VAL HB 3.020 . 4.240 3.034 2.761 3.282 . 0 0 "[ . 1 . 2]" 1
911 1 114 LYS HA 1 117 ILE HB 2.780 . 3.770 2.982 2.544 3.461 . 0 0 "[ . 1 . 2]" 1
912 1 115 ASP H 1 115 ASP HA 2.370 . 2.940 2.827 2.801 2.862 . 0 0 "[ . 1 . 2]" 1
913 1 115 ASP HA 1 118 ALA H 2.760 . 3.730 3.618 3.156 3.781 0.051 1 0 "[ . 1 . 2]" 1
914 1 112 ALA HA 1 115 ASP HB2 3.110 . 4.420 3.773 3.033 4.177 . 0 0 "[ . 1 . 2]" 1
915 1 112 ALA HA 1 115 ASP HB3 3.110 . 4.420 3.352 2.843 3.814 . 0 0 "[ . 1 . 2]" 1
916 1 116 GLU HA 1 119 ARG HB2 2.580 . 3.370 2.957 1.895 3.482 0.112 4 0 "[ . 1 . 2]" 1
917 1 116 GLU HA 1 119 ARG HB3 2.780 . 3.770 2.255 1.923 2.708 . 0 0 "[ . 1 . 2]" 1
918 1 113 VAL HA 1 116 GLU HB2 3.750 . 5.710 3.181 2.273 5.173 . 0 0 "[ . 1 . 2]" 1
919 1 117 ILE HA 1 120 GLU H 3.570 . 5.350 3.681 3.336 4.385 . 0 0 "[ . 1 . 2]" 1
920 1 117 ILE H 1 117 ILE HB 2.640 . 3.480 2.542 2.488 2.619 . 0 0 "[ . 1 . 2]" 1
921 1 120 GLU HA 1 120 GLU HB3 2.330 . 2.870 2.687 2.379 3.010 0.140 3 0 "[ . 1 . 2]" 1
922 1 20 GLY HA3 1 22 ASP H 3.560 . 5.320 4.677 4.472 4.854 . 0 0 "[ . 1 . 2]" 1
923 1 37 PHE HA 1 41 LYS QB 3.470 . 5.150 3.077 2.000 4.202 . 0 0 "[ . 1 . 2]" 1
924 1 42 PRO HA 1 45 GLU HB2 3.070 . 4.340 3.241 2.583 4.333 . 0 0 "[ . 1 . 2]" 1
925 1 41 LYS HA 1 44 VAL HB 3.000 . 4.200 3.252 2.614 4.188 . 0 0 "[ . 1 . 2]" 1
926 1 55 ALA HA 1 59 LEU H 2.960 . 4.130 3.811 3.520 4.141 0.011 11 0 "[ . 1 . 2]" 1
927 1 63 LYS H 1 64 VAL HB 3.210 . 4.630 4.623 4.531 4.680 0.050 9 0 "[ . 1 . 2]" 1
928 1 78 VAL HA 1 80 ASP H 3.340 . 4.880 4.458 4.261 4.658 . 0 0 "[ . 1 . 2]" 1
929 1 79 LYS HA 1 83 LEU H 3.410 . 5.030 4.573 3.983 4.934 . 0 0 "[ . 1 . 2]" 1
930 1 104 GLU H 1 105 SER QB 3.650 . 5.510 4.676 4.358 5.124 . 0 0 "[ . 1 . 2]" 1
931 1 36 PHE HA 1 40 ILE HB 2.640 . 3.480 2.826 2.045 3.521 0.041 14 0 "[ . 1 . 2]" 1
932 1 120 GLU HA 1 120 GLU HB2 2.330 . 2.870 2.804 2.388 3.005 0.135 20 0 "[ . 1 . 2]" 1
933 1 11 GLU H 1 11 GLU HG2 2.750 . 3.700 2.412 1.995 3.627 . 0 0 "[ . 1 . 2]" 1
934 1 11 GLU H 1 11 GLU HG3 2.750 . 3.700 3.499 2.305 3.782 0.082 19 0 "[ . 1 . 2]" 1
935 1 11 GLU HG3 1 12 GLN H 3.900 . 6.000 4.849 4.397 5.158 . 0 0 "[ . 1 . 2]" 1
936 1 12 GLN HA 1 12 GLN HG2 2.760 . 3.730 3.302 2.326 3.796 0.066 10 0 "[ . 1 . 2]" 1
937 1 12 GLN HG2 1 13 MET H 3.470 . 5.140 4.223 3.274 4.961 . 0 0 "[ . 1 . 2]" 1
938 1 12 GLN H 1 12 GLN HG3 3.290 . 4.780 4.450 4.182 4.519 . 0 0 "[ . 1 . 2]" 1
939 1 12 GLN HA 1 12 GLN HG3 2.760 . 3.730 2.950 2.501 3.628 . 0 0 "[ . 1 . 2]" 1
940 1 12 GLN HG3 1 13 MET H 3.470 . 5.140 4.318 3.549 5.012 . 0 0 "[ . 1 . 2]" 1
941 1 13 MET QG 1 14 ILE H 4.340 . 6.880 3.868 3.580 4.242 . 0 0 "[ . 1 . 2]" 1
942 1 15 GLU H 1 15 GLU HG2 3.180 . 4.560 4.495 4.418 4.580 0.020 8 0 "[ . 1 . 2]" 1
943 1 15 GLU HA 1 15 GLU HG2 2.670 . 3.550 3.182 2.787 3.750 0.200 10 0 "[ . 1 . 2]" 1
944 1 15 GLU HG2 1 16 VAL H 3.700 . 5.600 4.073 3.694 4.723 . 0 0 "[ . 1 . 2]" 1
945 1 15 GLU H 1 15 GLU HG3 3.180 . 4.560 4.435 4.354 4.507 . 0 0 "[ . 1 . 2]" 1
946 1 15 GLU HA 1 15 GLU HG3 2.670 . 3.550 2.644 2.456 2.966 . 0 0 "[ . 1 . 2]" 1
947 1 18 GLU H 1 18 GLU HG2 2.840 . 3.880 3.166 2.256 3.915 0.035 2 0 "[ . 1 . 2]" 1
948 1 18 GLU HA 1 18 GLU HG2 2.750 . 3.700 2.484 2.187 2.903 . 0 0 "[ . 1 . 2]" 1
949 1 18 GLU H 1 18 GLU HG3 2.840 . 3.880 3.161 2.270 4.240 0.360 2 0 "[ . 1 . 2]" 1
950 1 18 GLU HA 1 18 GLU HG3 2.750 . 3.700 3.351 2.896 3.758 0.058 15 0 "[ . 1 . 2]" 1
951 1 18 GLU HG3 1 19 LYS H 3.900 . 6.000 4.715 4.265 5.266 . 0 0 "[ . 1 . 2]" 1
952 1 19 LYS H 1 19 LYS HG2 3.070 . 4.340 3.939 2.467 4.543 0.203 14 0 "[ . 1 . 2]" 1
953 1 19 LYS HA 1 19 LYS HG2 2.930 . 4.060 2.949 2.335 3.624 . 0 0 "[ . 1 . 2]" 1
954 1 19 LYS H 1 19 LYS HG3 3.070 . 4.340 3.542 2.429 4.472 0.132 5 0 "[ . 1 . 2]" 1
955 1 19 LYS HA 1 19 LYS HG3 2.930 . 4.060 2.748 2.301 3.730 . 0 0 "[ . 1 . 2]" 1
956 1 19 LYS H 1 19 LYS QD 3.650 . 5.510 3.578 2.300 4.741 . 0 0 "[ . 1 . 2]" 1
957 1 19 LYS HA 1 19 LYS QD 3.400 . 5.010 3.139 1.779 4.144 0.011 5 0 "[ . 1 . 2]" 1
958 1 19 LYS H 1 19 LYS QE 4.340 . 6.880 4.679 2.358 5.662 . 0 0 "[ . 1 . 2]" 1
959 1 19 LYS HB2 1 19 LYS QE 3.820 . 5.840 3.701 1.899 4.493 . 0 0 "[ . 1 . 2]" 1
960 1 26 GLU HA 1 26 GLU HG2 2.840 . 3.880 2.880 2.330 3.856 . 0 0 "[ . 1 . 2]" 1
961 1 26 GLU HA 1 26 GLU HG3 2.840 . 3.880 3.301 2.574 3.742 . 0 0 "[ . 1 . 2]" 1
962 1 38 GLU H 1 38 GLU HG2 3.210 . 4.630 3.414 2.128 4.804 0.174 5 0 "[ . 1 . 2]" 1
963 1 38 GLU HA 1 38 GLU HG2 2.730 . 3.660 2.862 2.403 3.568 . 0 0 "[ . 1 . 2]" 1
964 1 38 GLU H 1 38 GLU HG3 3.210 . 4.630 3.600 2.170 4.764 0.134 19 0 "[ . 1 . 2]" 1
965 1 38 GLU HA 1 38 GLU HG3 2.730 . 3.660 3.188 2.412 3.761 0.101 14 0 "[ . 1 . 2]" 1
966 1 38 GLU HG3 1 39 THR H 3.900 . 6.000 4.451 3.970 5.436 . 0 0 "[ . 1 . 2]" 1
967 1 45 GLU HA 1 45 GLU HG2 2.690 . 3.590 2.794 2.389 3.632 0.042 7 0 "[ . 1 . 2]" 1
968 1 45 GLU H 1 45 GLU HG3 2.820 . 3.840 2.733 2.067 3.849 0.009 7 0 "[ . 1 . 2]" 1
969 1 45 GLU HA 1 45 GLU HG3 2.690 . 3.590 3.150 2.388 3.734 0.144 13 0 "[ . 1 . 2]" 1
970 1 45 GLU HG3 1 46 GLU H 3.840 . 5.890 4.504 4.123 5.115 . 0 0 "[ . 1 . 2]" 1
971 1 46 GLU H 1 46 GLU QG 3.150 . 4.510 2.797 1.909 4.043 . 0 0 "[ . 1 . 2]" 1
972 1 46 GLU QG 1 47 ASN H 3.830 . 5.870 3.969 3.288 4.437 . 0 0 "[ . 1 . 2]" 1
973 1 49 GLU H 1 49 GLU HG2 2.640 . 3.480 2.946 2.178 3.539 0.059 9 0 "[ . 1 . 2]" 1
974 1 49 GLU HA 1 49 GLU HG2 2.670 . 3.550 2.585 2.059 2.924 . 0 0 "[ . 1 . 2]" 1
975 1 49 GLU HG2 1 50 LEU H 3.750 . 5.710 4.708 4.234 5.064 . 0 0 "[ . 1 . 2]" 1
976 1 49 GLU H 1 49 GLU HG3 2.640 . 3.480 2.941 2.163 3.710 0.230 11 0 "[ . 1 . 2]" 1
977 1 49 GLU HA 1 49 GLU HG3 2.670 . 3.550 3.408 3.090 3.736 0.186 19 0 "[ . 1 . 2]" 1
978 1 49 GLU HG3 1 50 LEU H 3.750 . 5.710 4.586 4.078 4.903 . 0 0 "[ . 1 . 2]" 1
979 1 53 ARG H 1 53 ARG HG2 2.980 . 4.160 3.704 2.531 4.443 0.283 1 0 "[ . 1 . 2]" 1
980 1 53 ARG H 1 53 ARG QD 4.340 . 6.880 4.284 3.820 4.497 . 0 0 "[ . 1 . 2]" 1
981 1 53 ARG HA 1 53 ARG QD 3.560 . 5.330 2.652 1.867 3.956 . 0 0 "[ . 1 . 2]" 1
982 1 54 TRP HA 1 54 TRP HD1 3.750 . 5.710 2.967 2.840 3.040 . 0 0 "[ . 1 . 2]" 1
983 1 56 GLU HA 1 56 GLU HG2 2.640 . 3.480 2.673 2.148 3.267 . 0 0 "[ . 1 . 2]" 1
984 1 56 GLU H 1 56 GLU HG2 2.890 . 3.980 3.629 2.253 4.352 0.372 18 0 "[ . 1 . 2]" 1
985 1 56 GLU HG2 1 57 GLY H 3.590 . 5.390 4.458 3.272 5.092 . 0 0 "[ . 1 . 2]" 1
986 1 56 GLU H 1 56 GLU HG3 2.890 . 3.980 3.489 2.261 4.345 0.365 10 0 "[ . 1 . 2]" 1
987 1 56 GLU HA 1 56 GLU HG3 2.640 . 3.480 2.994 2.458 3.658 0.178 13 0 "[ . 1 . 2]" 1
988 1 56 GLU HG3 1 57 GLY H 3.590 . 5.390 4.717 4.386 5.073 . 0 0 "[ . 1 . 2]" 1
989 1 60 GLU H 1 60 GLU QG 3.190 . 4.580 4.037 4.009 4.067 . 0 0 "[ . 1 . 2]" 1
990 1 60 GLU QG 1 61 LEU H 4.140 . 6.490 3.670 3.353 4.069 . 0 0 "[ . 1 . 2]" 1
991 1 61 LEU HG 1 62 ILE H 3.900 . 6.000 4.561 3.534 5.231 . 0 0 "[ . 1 . 2]" 1
992 1 63 LYS HA 1 63 LYS QE 4.340 . 6.880 4.895 4.205 5.591 . 0 0 "[ . 1 . 2]" 1
993 1 63 LYS H 1 63 LYS HG2 3.360 . 4.920 3.818 2.024 4.494 . 0 0 "[ . 1 . 2]" 1
994 1 63 LYS HG2 1 64 VAL H 3.750 . 5.710 3.993 2.521 4.630 . 0 0 "[ . 1 . 2]" 1
995 1 63 LYS H 1 63 LYS HG3 3.360 . 4.920 3.776 1.775 4.694 0.025 7 0 "[ . 1 . 2]" 1
996 1 63 LYS H 1 63 LYS HD2 3.590 . 5.390 4.551 3.582 5.135 . 0 0 "[ . 1 . 2]" 1
997 1 63 LYS HA 1 63 LYS HD2 3.700 . 5.600 4.557 3.528 5.190 . 0 0 "[ . 1 . 2]" 1
998 1 63 LYS H 1 63 LYS HD3 3.590 . 5.390 4.434 3.120 5.684 0.294 16 0 "[ . 1 . 2]" 1
999 1 63 LYS HA 1 63 LYS HD3 3.700 . 5.600 4.208 3.329 5.393 . 0 0 "[ . 1 . 2]" 1
1000 1 65 ARG H 1 65 ARG QD 4.340 . 6.880 4.292 3.619 4.869 . 0 0 "[ . 1 . 2]" 1
1001 1 65 ARG HA 1 65 ARG QD 4.070 . 6.340 3.800 2.050 4.569 . 0 0 "[ . 1 . 2]" 1
1002 1 71 HIS HA 1 71 HIS HD2 3.900 . 6.000 3.920 3.016 4.701 . 0 0 "[ . 1 . 2]" 1
1003 1 72 LYS H 1 72 LYS QD 4.340 . 6.880 4.248 3.906 4.604 . 0 0 "[ . 1 . 2]" 1
1004 1 72 LYS HA 1 72 LYS QD 4.010 . 6.230 4.015 3.196 4.545 . 0 0 "[ . 1 . 2]" 1
1005 1 72 LYS HB2 1 72 LYS QE 4.340 . 6.880 3.386 1.817 4.536 . 0 0 "[ . 1 . 2]" 1
1006 1 72 LYS HB3 1 72 LYS QE 4.340 . 6.880 3.199 1.860 4.217 . 0 0 "[ . 1 . 2]" 1
1007 1 73 GLU HA 1 73 GLU HG3 2.710 . 3.620 2.828 2.411 3.721 0.101 6 0 "[ . 1 . 2]" 1
1008 1 73 GLU H 1 73 GLU HG2 3.720 . 5.640 3.692 2.139 4.449 . 0 0 "[ . 1 . 2]" 1
1009 1 73 GLU HA 1 73 GLU HG2 2.710 . 3.620 3.112 2.562 3.710 0.090 12 0 "[ . 1 . 2]" 1
1010 1 73 GLU HG2 1 74 GLN H 3.900 . 6.000 4.598 3.463 5.297 . 0 0 "[ . 1 . 2]" 1
1011 1 73 GLU H 1 73 GLU HG3 3.720 . 5.640 3.152 1.863 4.467 . 0 0 "[ . 1 . 2]" 1
1012 1 73 GLU HG3 1 74 GLN H 3.900 . 6.000 4.599 4.000 5.106 . 0 0 "[ . 1 . 2]" 1
1013 1 74 GLN H 1 74 GLN HG2 3.230 . 4.670 2.837 1.978 4.538 . 0 0 "[ . 1 . 2]" 1
1014 1 74 GLN HA 1 74 GLN HG2 2.980 . 4.160 2.862 2.444 3.165 . 0 0 "[ . 1 . 2]" 1
1015 1 74 GLN HG2 1 75 ILE H 3.900 . 6.000 4.556 3.971 5.167 . 0 0 "[ . 1 . 2]" 1
1016 1 74 GLN H 1 74 GLN HG3 3.230 . 4.670 3.465 2.426 4.314 . 0 0 "[ . 1 . 2]" 1
1017 1 74 GLN HA 1 74 GLN HG3 2.980 . 4.160 3.451 2.450 3.832 . 0 0 "[ . 1 . 2]" 1
1018 1 76 GLU HA 1 76 GLU HG2 2.840 . 3.880 2.644 2.423 3.196 . 0 0 "[ . 1 . 2]" 1
1019 1 76 GLU HA 1 76 GLU HG3 2.840 . 3.880 3.289 3.014 3.851 . 0 0 "[ . 1 . 2]" 1
1020 1 79 LYS HG2 1 80 ASP H 3.900 . 6.000 3.774 2.943 4.582 . 0 0 "[ . 1 . 2]" 1
1021 1 79 LYS H 1 79 LYS HD2 3.900 . 6.000 5.057 4.743 5.969 . 0 0 "[ . 1 . 2]" 1
1022 1 79 LYS HA 1 79 LYS HD2 3.900 . 6.000 4.526 4.368 4.868 . 0 0 "[ . 1 . 2]" 1
1023 1 79 LYS H 1 79 LYS HD3 3.900 . 6.000 4.838 4.359 5.125 . 0 0 "[ . 1 . 2]" 1
1024 1 79 LYS HA 1 79 LYS HD3 3.900 . 6.000 4.407 3.450 4.716 . 0 0 "[ . 1 . 2]" 1
1025 1 79 LYS HB2 1 79 LYS QE 4.140 . 6.490 3.978 2.929 4.268 . 0 0 "[ . 1 . 2]" 1
1026 1 79 LYS HB3 1 79 LYS QE 4.140 . 6.490 3.763 1.899 4.176 . 0 0 "[ . 1 . 2]" 1
1027 1 97 LYS QG 1 98 ARG H 4.340 . 6.880 3.766 1.796 4.419 0.004 7 0 "[ . 1 . 2]" 1
1028 1 97 LYS HA 1 97 LYS QD 4.320 . 6.850 3.539 1.837 4.476 . 0 0 "[ . 1 . 2]" 1
1029 1 97 LYS HA 1 97 LYS QE 4.180 . 6.560 4.398 3.681 5.421 . 0 0 "[ . 1 . 2]" 1
1030 1 100 LYS H 1 100 LYS HG2 3.900 . 6.000 3.921 2.356 4.601 . 0 0 "[ . 1 . 2]" 1
1031 1 100 LYS H 1 100 LYS HG3 3.900 . 6.000 4.023 2.136 4.557 . 0 0 "[ . 1 . 2]" 1
1032 1 100 LYS HG3 1 101 ASP H 3.900 . 6.000 4.701 3.561 5.292 . 0 0 "[ . 1 . 2]" 1
1033 1 100 LYS HA 1 100 LYS HD2 3.900 . 6.000 3.654 2.069 4.845 . 0 0 "[ . 1 . 2]" 1
1034 1 100 LYS HA 1 100 LYS HD3 3.900 . 6.000 3.544 1.968 4.693 . 0 0 "[ . 1 . 2]" 1
1035 1 100 LYS HA 1 100 LYS QE 4.340 . 6.880 4.275 3.628 5.045 . 0 0 "[ . 1 . 2]" 1
1036 1 100 LYS HB2 1 100 LYS QE 4.340 . 6.880 3.983 2.931 4.515 . 0 0 "[ . 1 . 2]" 1
1037 1 100 LYS HB3 1 100 LYS QE 4.340 . 6.880 3.654 1.916 4.540 . 0 0 "[ . 1 . 2]" 1
1038 1 102 ILE HG12 1 103 THR H 3.900 . 6.000 4.955 4.877 5.021 . 0 0 "[ . 1 . 2]" 1
1039 1 104 GLU H 1 104 GLU HG2 3.070 . 4.340 3.382 2.109 4.474 0.134 3 0 "[ . 1 . 2]" 1
1040 1 104 GLU HA 1 104 GLU HG2 2.910 . 4.020 2.902 2.363 3.167 . 0 0 "[ . 1 . 2]" 1
1041 1 104 GLU HG2 1 105 SER H 3.900 . 6.000 4.252 3.567 5.073 . 0 0 "[ . 1 . 2]" 1
1042 1 104 GLU H 1 104 GLU HG3 3.070 . 4.340 3.946 2.580 4.398 0.058 12 0 "[ . 1 . 2]" 1
1043 1 104 GLU HA 1 104 GLU HG3 2.910 . 4.020 3.175 2.371 3.782 . 0 0 "[ . 1 . 2]" 1
1044 1 104 GLU HG3 1 105 SER H 3.900 . 6.000 4.812 4.537 5.129 . 0 0 "[ . 1 . 2]" 1
1045 1 107 LEU HA 1 107 LEU HG 2.890 . 3.980 3.134 2.841 3.668 . 0 0 "[ . 1 . 2]" 1
1046 1 110 LEU HA 1 110 LEU HG 2.690 . 3.590 3.066 2.999 3.153 . 0 0 "[ . 1 . 2]" 1
1047 1 114 LYS HA 1 114 LYS QD 4.100 . 6.410 3.635 3.063 4.238 . 0 0 "[ . 1 . 2]" 1
1048 1 114 LYS HG2 1 115 ASP H 3.900 . 6.000 4.172 3.452 4.784 . 0 0 "[ . 1 . 2]" 1
1049 1 114 LYS HG3 1 115 ASP H 3.900 . 6.000 4.795 4.330 5.116 . 0 0 "[ . 1 . 2]" 1
1050 1 114 LYS H 1 114 LYS QD 4.340 . 6.880 4.448 4.314 4.732 . 0 0 "[ . 1 . 2]" 1
1051 1 119 ARG HA 1 119 ARG QD 4.340 . 6.880 3.701 1.877 4.279 . 0 0 "[ . 1 . 2]" 1
1052 1 13 MET HA 1 82 PHE QE 4.960 . 8.130 3.549 2.952 4.099 . 0 0 "[ . 1 . 2]" 1
1053 1 14 ILE QG 1 111 HIS HA 4.280 . 6.770 4.882 4.411 5.408 . 0 0 "[ . 1 . 2]" 1
1054 1 14 ILE QG 1 114 LYS QE 4.220 . 6.650 5.572 2.838 6.602 . 0 0 "[ . 1 . 2]" 1
1055 1 15 GLU HG3 1 19 LYS QE 4.190 . 6.590 3.895 2.095 5.400 . 0 0 "[ . 1 . 2]" 1
1056 1 15 GLU HG2 1 19 LYS QE 4.190 . 6.590 3.709 1.862 5.630 . 0 0 "[ . 1 . 2]" 1
1057 1 15 GLU HG3 1 19 LYS QD 3.670 . 5.550 3.592 2.234 5.597 0.047 16 0 "[ . 1 . 2]" 1
1058 1 15 GLU HG2 1 19 LYS QD 3.670 . 5.550 3.249 1.790 5.142 . 4 0 "[ . 1 . 2]" 1
1059 1 21 ALA HA 1 99 PHE QE 4.240 . 6.690 2.078 1.746 2.692 0.044 11 0 "[ . 1 . 2]" 1
1060 1 21 ALA HA 1 99 PHE HZ 3.180 . 4.560 2.935 1.755 4.241 0.045 12 0 "[ . 1 . 2]" 1
1061 1 24 TYR QE 1 92 HIS HA 4.120 . 6.440 3.800 2.146 6.496 0.056 10 0 "[ . 1 . 2]" 1
1062 1 24 TYR QD 1 25 GLN HA 4.960 . 8.130 3.646 3.333 4.394 . 0 0 "[ . 1 . 2]" 1
1063 1 37 PHE QE 1 41 LYS QB 5.400 . 9.010 5.089 3.482 7.132 . 0 0 "[ . 1 . 2]" 1
1064 1 41 LYS QB 1 42 PRO HD2 4.340 . 6.880 2.855 2.336 3.319 . 0 0 "[ . 1 . 2]" 1
1065 1 41 LYS QB 1 42 PRO HD3 4.340 . 6.880 1.812 1.718 1.952 0.082 3 0 "[ . 1 . 2]" 1
1066 1 41 LYS H 1 42 PRO HD3 3.900 . 6.000 2.960 2.334 3.611 . 0 0 "[ . 1 . 2]" 1
1067 1 43 ALA HA 1 46 GLU QG 4.340 . 6.880 3.553 2.654 4.437 . 0 0 "[ . 1 . 2]" 1
1068 1 51 ALA HA 1 54 TRP HE3 3.880 . 5.960 3.819 3.515 4.291 . 0 0 "[ . 1 . 2]" 1
1069 1 57 GLY HA3 1 60 GLU QG 4.340 . 6.880 5.461 5.159 5.787 . 0 0 "[ . 1 . 2]" 1
1070 1 59 LEU HA 1 62 ILE QG 3.870 . 5.940 2.001 1.872 2.213 . 0 0 "[ . 1 . 2]" 1
1071 1 64 VAL HB 1 65 ARG QG 4.340 . 6.880 3.644 2.715 5.736 . 0 0 "[ . 1 . 2]" 1
1072 1 69 TYR QD 1 70 VAL H 4.960 . 8.130 3.875 3.267 4.369 . 0 0 "[ . 1 . 2]" 1
1073 1 73 GLU HA 1 76 GLU HG3 3.900 . 6.000 3.684 2.587 4.462 . 0 0 "[ . 1 . 2]" 1
1074 1 73 GLU HA 1 76 GLU HG2 3.900 . 6.000 4.851 2.679 5.879 . 0 0 "[ . 1 . 2]" 1
1075 1 72 LYS QG 1 76 GLU HG3 4.340 . 6.880 4.058 2.457 5.732 . 0 0 "[ . 1 . 2]" 1
1076 1 72 LYS QG 1 76 GLU HG2 4.340 . 6.880 4.946 2.268 6.911 0.031 5 0 "[ . 1 . 2]" 1
1077 1 54 TRP HZ3 1 78 VAL HB 3.050 . 4.310 2.824 2.284 3.467 . 0 0 "[ . 1 . 2]" 1
1078 1 54 TRP HH2 1 78 VAL HB 3.880 . 5.960 3.824 2.570 4.863 . 0 0 "[ . 1 . 2]" 1
1079 1 82 PHE QD 1 83 LEU HG 4.690 . 7.590 3.638 3.146 4.913 . 0 0 "[ . 1 . 2]" 1
1080 1 82 PHE HB3 1 83 LEU HG 3.900 . 6.000 3.519 3.137 5.371 . 0 0 "[ . 1 . 2]" 1
1081 1 86 VAL HA 1 90 TYR QE 4.960 . 8.130 4.448 3.664 5.804 . 0 0 "[ . 1 . 2]" 1
1082 1 99 PHE HA 1 102 ILE HG12 3.900 . 6.000 5.171 4.307 5.846 . 0 0 "[ . 1 . 2]" 1
1083 1 99 PHE HA 1 102 ILE HG13 3.900 . 6.000 3.812 2.955 4.491 . 0 0 "[ . 1 . 2]" 1
1084 1 111 HIS HA 1 114 LYS QD 4.340 . 6.880 3.933 2.768 5.321 . 0 0 "[ . 1 . 2]" 1
1085 1 114 LYS HA 1 114 LYS QE 4.340 . 6.880 4.569 3.821 5.108 . 0 0 "[ . 1 . 2]" 1
1086 1 111 HIS HA 1 114 LYS QE 4.340 . 6.880 4.610 2.804 5.989 . 0 0 "[ . 1 . 2]" 1
1087 1 114 LYS HB3 1 114 LYS QE 3.170 . 4.540 3.339 1.792 4.127 0.008 18 0 "[ . 1 . 2]" 1
1088 1 114 LYS HB2 1 114 LYS QE 4.100 . 6.410 3.776 2.094 4.546 . 0 0 "[ . 1 . 2]" 1
1089 1 114 LYS H 1 114 LYS QE 4.340 . 6.880 5.381 3.968 6.075 . 0 0 "[ . 1 . 2]" 1
1090 1 36 PHE QE 1 41 LYS QB 5.400 . 9.010 6.306 3.005 9.015 0.005 19 0 "[ . 1 . 2]" 1
1091 1 36 PHE QD 1 41 LYS QB 5.400 . 9.010 5.741 3.503 7.376 . 0 0 "[ . 1 . 2]" 1
1092 1 60 GLU HA 1 63 LYS HD2 3.900 . 6.000 3.832 1.833 5.372 . 0 0 "[ . 1 . 2]" 1
1093 1 68 LYS HA 1 68 LYS HG2 2.940 . 4.090 3.168 2.274 3.759 . 0 0 "[ . 1 . 2]" 1
1094 1 68 LYS HA 1 68 LYS HD2 3.900 . 6.000 3.979 2.056 4.960 . 0 0 "[ . 1 . 2]" 1
1095 1 68 LYS HB2 1 68 LYS QE 3.510 . 5.230 3.602 1.875 4.189 . 0 0 "[ . 1 . 2]" 1
1096 1 68 LYS HB3 1 68 LYS QE 3.510 . 5.230 3.837 2.014 4.497 . 0 0 "[ . 1 . 2]" 1
1097 1 68 LYS HA 1 68 LYS HG3 2.940 . 4.090 2.950 2.351 4.226 0.136 14 0 "[ . 1 . 2]" 1
1098 1 68 LYS HA 1 68 LYS HD3 3.900 . 6.000 4.191 3.015 5.087 . 0 0 "[ . 1 . 2]" 1
1099 1 68 LYS QE 1 69 TYR QE 4.920 . 8.040 4.660 2.697 6.480 . 0 0 "[ . 1 . 2]" 1
1100 1 68 LYS QE 1 69 TYR QD 5.400 . 9.010 5.067 3.137 6.475 . 0 0 "[ . 1 . 2]" 1
1101 1 68 LYS HD3 1 69 TYR QE 4.960 . 8.130 4.610 2.258 6.852 . 0 0 "[ . 1 . 2]" 1
1102 1 68 LYS HB2 1 69 TYR QD 4.960 . 8.130 3.718 2.343 5.092 . 0 0 "[ . 1 . 2]" 1
1103 1 68 LYS HG2 1 69 TYR QD 4.960 . 8.130 4.571 2.275 6.117 . 0 0 "[ . 1 . 2]" 1
1104 1 123 ARG HA 1 123 ARG QD 4.160 . 6.520 3.616 2.003 4.293 . 0 0 "[ . 1 . 2]" 1
1105 1 60 GLU HA 1 63 LYS HG3 3.900 . 6.000 3.941 2.171 5.310 . 0 0 "[ . 1 . 2]" 1
1106 1 60 GLU HA 1 63 LYS HD3 3.900 . 6.000 4.214 1.795 5.947 0.005 10 0 "[ . 1 . 2]" 1
1107 1 60 GLU HA 1 63 LYS HG2 3.900 . 6.000 4.181 2.374 6.004 0.004 12 0 "[ . 1 . 2]" 1
1108 1 7 LEU HA 1 10 THR HG1 3.520 . 5.240 2.958 2.402 4.100 . 0 0 "[ . 1 . 2]" 1
1109 1 120 GLU HA 1 120 GLU HG2 2.850 . 3.910 3.169 2.326 3.862 . 0 0 "[ . 1 . 2]" 1
1110 1 120 GLU HA 1 120 GLU HG3 2.850 . 3.910 3.359 2.612 3.848 . 0 0 "[ . 1 . 2]" 1
1111 1 71 HIS H 1 71 HIS HD2 3.900 . 6.000 5.026 3.184 5.719 . 0 0 "[ . 1 . 2]" 1
1112 1 34 TYR QD 1 90 TYR HA 4.960 . 8.130 5.647 3.429 7.941 . 0 0 "[ . 1 . 2]" 1
1113 1 92 HIS HA 1 92 HIS HD2 3.740 . 5.680 2.784 2.337 4.507 . 0 0 "[ . 1 . 2]" 1
1114 1 92 HIS H 1 92 HIS HD2 3.650 . 5.500 3.429 2.722 4.017 . 0 0 "[ . 1 . 2]" 1
1115 1 93 HIS HA 1 93 HIS HD2 3.900 . 6.000 4.417 4.127 4.747 . 0 0 "[ . 1 . 2]" 1
1116 1 111 HIS HA 1 111 HIS HD2 3.900 . 6.000 2.996 2.350 4.422 . 0 0 "[ . 1 . 2]" 1
1117 1 111 HIS H 1 111 HIS HD2 3.740 . 5.680 2.933 2.598 3.271 . 0 0 "[ . 1 . 2]" 1
1118 1 24 TYR QD 1 92 HIS HA 4.570 . 7.340 4.918 3.034 6.411 . 0 0 "[ . 1 . 2]" 1
1119 1 24 TYR QD 1 96 LYS HA 4.960 . 8.130 5.181 2.773 7.409 . 0 0 "[ . 1 . 2]" 1
1120 1 24 TYR QE 1 96 LYS QE 5.410 . 9.020 4.571 2.226 7.352 . 0 0 "[ . 1 . 2]" 1
1121 1 24 TYR QE 1 96 LYS QD 5.410 . 9.020 4.614 2.362 7.530 . 0 0 "[ . 1 . 2]" 1
1122 1 24 TYR QE 1 96 LYS QG 5.410 . 9.020 3.997 1.784 6.882 0.016 6 0 "[ . 1 . 2]" 1
1123 1 36 PHE QD 1 40 ILE HB 4.960 . 8.130 3.816 2.785 4.769 . 0 0 "[ . 1 . 2]" 1
1124 1 37 PHE QD 1 41 LYS QB 5.190 . 8.580 3.999 3.169 5.296 . 0 0 "[ . 1 . 2]" 1
1125 1 10 THR H 1 54 TRP HD1 3.900 . 6.000 3.601 2.780 4.042 . 0 0 "[ . 1 . 2]" 1
1126 1 10 THR HG1 1 54 TRP HD1 3.900 . 6.000 3.427 2.364 4.303 . 0 0 "[ . 1 . 2]" 1
1127 1 10 THR HA 1 54 TRP HD1 3.900 . 6.000 3.341 2.932 3.928 . 0 0 "[ . 1 . 2]" 1
1128 1 9 MET QB 1 54 TRP HD1 4.340 . 6.880 2.711 2.012 3.850 . 0 0 "[ . 1 . 2]" 1
1129 1 54 TRP HZ2 1 113 VAL HB 3.840 . 5.890 2.772 2.043 3.361 . 0 0 "[ . 1 . 2]" 1
1130 1 54 TRP HH2 1 75 ILE HA 3.900 . 6.000 3.458 2.463 4.692 . 0 0 "[ . 1 . 2]" 1
1131 1 54 TRP HZ2 1 110 LEU HA 3.900 . 6.000 3.131 2.630 3.708 . 0 0 "[ . 1 . 2]" 1
1132 1 54 TRP HE3 1 55 ALA HA 3.900 . 6.000 3.097 2.873 3.400 . 0 0 "[ . 1 . 2]" 1
1133 1 54 TRP HZ3 1 75 ILE HA 3.900 . 6.000 2.807 2.094 3.617 . 0 0 "[ . 1 . 2]" 1
1134 1 54 TRP HZ3 1 55 ALA HA 3.840 . 5.890 4.112 3.858 4.512 . 0 0 "[ . 1 . 2]" 1
1135 1 68 LYS HB3 1 69 TYR QD 4.960 . 8.130 3.626 2.214 5.449 . 0 0 "[ . 1 . 2]" 1
1136 1 69 TYR QD 1 116 GLU HA 4.780 . 7.770 4.598 3.050 6.404 . 0 0 "[ . 1 . 2]" 1
1137 1 69 TYR QE 1 116 GLU HA 4.960 . 8.130 4.466 2.669 6.825 . 0 0 "[ . 1 . 2]" 1
1138 1 69 TYR QE 1 119 ARG QD 5.410 . 9.020 4.025 1.917 6.139 . 0 0 "[ . 1 . 2]" 1
1139 1 68 LYS HB3 1 69 TYR QE 4.960 . 8.130 4.189 3.274 5.597 . 0 0 "[ . 1 . 2]" 1
1140 1 68 LYS HG3 1 69 TYR QD 4.960 . 8.130 4.696 2.409 6.055 . 0 0 "[ . 1 . 2]" 1
1141 1 68 LYS HB2 1 69 TYR QE 4.960 . 8.130 4.406 3.289 5.618 . 0 0 "[ . 1 . 2]" 1
1142 1 68 LYS HG3 1 69 TYR QE 4.960 . 8.130 4.935 3.024 6.295 . 0 0 "[ . 1 . 2]" 1
1143 1 68 LYS HG2 1 69 TYR QE 4.960 . 8.130 4.681 2.987 6.441 . 0 0 "[ . 1 . 2]" 1
1144 1 47 ASN HB2 1 82 PHE QD 4.960 . 8.130 4.770 4.332 5.416 . 0 0 "[ . 1 . 2]" 1
1145 1 13 MET QG 1 82 PHE QE 5.400 . 9.010 3.082 2.485 4.638 . 0 0 "[ . 1 . 2]" 1
1146 1 24 TYR QD 1 92 HIS HD2 4.960 . 8.130 3.339 2.211 5.483 . 0 0 "[ . 1 . 2]" 1
1147 1 24 TYR HA 1 92 HIS HD2 3.900 . 6.000 5.206 3.262 6.064 0.064 10 0 "[ . 1 . 2]" 1
1148 1 89 SER HA 1 99 PHE QE 4.960 . 8.130 3.255 1.910 4.428 . 0 0 "[ . 1 . 2]" 1
1149 1 85 LEU HA 1 99 PHE QE 4.960 . 8.130 3.641 2.814 4.756 . 0 0 "[ . 1 . 2]" 1
1150 1 85 LEU HG 1 99 PHE QD 4.960 . 8.130 3.983 3.169 5.126 . 0 0 "[ . 1 . 2]" 1
1151 1 85 LEU HG 1 99 PHE QE 4.960 . 8.130 3.198 1.996 4.621 . 0 0 "[ . 1 . 2]" 1
1152 1 89 SER HA 1 99 PHE HZ 3.900 . 6.000 4.208 3.047 5.858 . 0 0 "[ . 1 . 2]" 1
1153 1 85 LEU HG 1 99 PHE HZ 3.900 . 6.000 4.066 2.421 5.095 . 0 0 "[ . 1 . 2]" 1
1154 1 108 TYR QD 1 109 THR H 4.960 . 8.130 3.485 2.846 4.091 . 0 0 "[ . 1 . 2]" 1
1155 1 108 TYR QE 1 109 THR HA 4.960 . 8.130 4.891 4.130 5.825 . 0 0 "[ . 1 . 2]" 1
1156 1 108 TYR QD 1 109 THR HA 4.580 . 7.370 3.584 3.013 4.474 . 0 0 "[ . 1 . 2]" 1
1157 1 107 LEU HA 1 111 HIS HD2 3.790 . 5.780 3.984 3.270 4.681 . 0 0 "[ . 1 . 2]" 1
1158 1 107 LEU HB3 1 111 HIS HD2 3.300 . 4.810 3.841 2.606 4.521 . 0 0 "[ . 1 . 2]" 1
1159 1 110 LEU HG 1 111 HIS HD2 3.900 . 6.000 5.724 5.285 6.027 0.027 20 0 "[ . 1 . 2]" 1
1160 1 107 LEU HB2 1 111 HIS HD2 3.900 . 6.000 5.418 4.220 6.087 0.087 10 0 "[ . 1 . 2]" 1
1161 1 21 ALA HA 1 24 TYR QD 4.960 . 8.130 4.247 3.671 4.775 . 0 0 "[ . 1 . 2]" 1
1162 1 88 GLN QG 1 99 PHE QD 5.400 . 9.010 3.699 1.793 6.074 . 0 0 "[ . 1 . 2]" 1
1163 1 68 LYS HD2 1 69 TYR QE 4.960 . 8.130 4.509 2.552 6.700 . 0 0 "[ . 1 . 2]" 1
1164 1 7 LEU HA 1 7 LEU MD2 3.760 . 5.720 3.420 1.838 3.890 . 0 0 "[ . 1 . 2]" 1
1165 1 7 LEU H 1 7 LEU MD1 4.410 . 7.020 4.088 3.560 4.311 . 0 0 "[ . 1 . 2]" 1
1166 1 7 LEU HA 1 7 LEU MD1 2.730 . 3.670 2.133 1.797 2.851 . 0 0 "[ . 1 . 2]" 1
1167 1 9 MET H 1 9 MET ME 3.340 . 4.890 4.003 3.039 4.642 . 0 0 "[ . 1 . 2]" 1
1168 1 9 MET HA 1 9 MET ME 3.970 . 6.150 4.265 3.925 4.450 . 0 0 "[ . 1 . 2]" 1
1169 1 9 MET ME 1 10 THR H 3.940 . 6.080 4.236 3.635 4.792 . 0 0 "[ . 1 . 2]" 1
1170 1 10 THR MG 1 11 GLU H 3.360 . 4.930 3.490 3.398 3.657 . 0 0 "[ . 1 . 2]" 1
1171 1 13 MET HA 1 13 MET ME 4.280 . 6.770 3.878 3.583 4.510 . 0 0 "[ . 1 . 2]" 1
1172 1 13 MET HB2 1 13 MET ME 3.700 . 5.610 2.562 1.920 4.061 . 0 0 "[ . 1 . 2]" 1
1173 1 13 MET HB3 1 13 MET ME 3.700 . 5.610 2.929 1.946 4.087 . 0 0 "[ . 1 . 2]" 1
1174 1 14 ILE MG 1 15 GLU H 3.220 . 4.640 3.277 3.063 3.429 . 0 0 "[ . 1 . 2]" 1
1175 1 14 ILE H 1 14 ILE MD 3.470 . 5.150 3.591 3.408 3.644 . 0 0 "[ . 1 . 2]" 1
1176 1 14 ILE HB 1 14 ILE MD 2.790 . 3.780 2.515 2.413 3.231 . 0 0 "[ . 1 . 2]" 1
1177 1 14 ILE MD 1 15 GLU H 3.670 . 5.540 4.530 4.427 4.734 . 0 0 "[ . 1 . 2]" 1
1178 1 16 VAL H 1 16 VAL MG2 2.790 . 3.780 2.125 2.024 2.331 . 0 0 "[ . 1 . 2]" 1
1179 1 16 VAL HA 1 16 VAL MG2 2.750 . 3.710 2.361 2.299 2.410 . 0 0 "[ . 1 . 2]" 1
1180 1 16 VAL MG2 1 17 ALA H 3.400 . 5.000 3.857 3.779 4.034 . 0 0 "[ . 1 . 2]" 1
1181 1 14 ILE HA 1 17 ALA MB 3.310 . 4.820 2.865 2.623 3.311 . 0 0 "[ . 1 . 2]" 1
1182 1 18 GLU HA 1 21 ALA MB 3.090 . 4.390 2.945 2.327 3.328 . 0 0 "[ . 1 . 2]" 1
1183 1 39 THR MG 1 40 ILE H 3.810 . 5.830 3.223 2.166 4.435 . 0 0 "[ . 1 . 2]" 1
1184 1 40 ILE H 1 40 ILE MD 3.720 . 5.650 3.199 1.770 3.924 0.020 18 0 "[ . 1 . 2]" 1
1185 1 43 ALA H 1 43 ALA MB 2.620 . 3.450 2.238 2.222 2.256 . 0 0 "[ . 1 . 2]" 1
1186 1 43 ALA MB 1 44 VAL H 2.910 . 4.030 2.624 2.429 2.980 . 0 0 "[ . 1 . 2]" 1
1187 1 44 VAL MG2 1 45 GLU H 3.510 . 5.220 3.751 3.642 3.921 . 0 0 "[ . 1 . 2]" 1
1188 1 44 VAL MG1 1 45 GLU H 3.250 . 4.710 3.399 3.236 3.638 . 0 0 "[ . 1 . 2]" 1
1189 1 48 ASP HA 1 51 ALA MB 3.360 . 4.930 3.164 2.678 3.549 . 0 0 "[ . 1 . 2]" 1
1190 1 49 GLU HA 1 52 ALA MB 3.040 . 4.280 2.571 2.119 2.927 . 0 0 "[ . 1 . 2]" 1
1191 1 50 LEU HA 1 50 LEU MD2 3.720 . 5.650 3.839 3.758 3.873 . 0 0 "[ . 1 . 2]" 1
1192 1 50 LEU HA 1 50 LEU MD1 2.990 . 4.180 2.066 1.911 2.237 . 0 0 "[ . 1 . 2]" 1
1193 1 52 ALA HA 1 55 ALA MB 2.930 . 4.070 2.942 2.724 3.255 . 0 0 "[ . 1 . 2]" 1
1194 1 55 ALA H 1 55 ALA MB 2.660 . 3.530 2.234 2.223 2.242 . 0 0 "[ . 1 . 2]" 1
1195 1 55 ALA MB 1 56 GLU H 2.700 . 3.600 2.453 2.396 2.533 . 0 0 "[ . 1 . 2]" 1
1196 1 55 ALA HA 1 58 ALA MB 3.060 . 4.320 2.662 2.416 2.889 . 0 0 "[ . 1 . 2]" 1
1197 1 59 LEU H 1 59 LEU MD1 3.150 . 4.500 3.643 3.533 3.702 . 0 0 "[ . 1 . 2]" 1
1198 1 59 LEU HA 1 59 LEU MD1 3.180 . 4.570 3.822 3.803 3.844 . 0 0 "[ . 1 . 2]" 1
1199 1 59 LEU HB3 1 59 LEU MD1 2.680 . 3.560 2.379 2.360 2.412 . 0 0 "[ . 1 . 2]" 1
1200 1 59 LEU MD1 1 60 GLU H 4.160 . 6.520 4.619 4.500 4.727 . 0 0 "[ . 1 . 2]" 1
1201 1 59 LEU H 1 59 LEU MD2 3.610 . 5.430 3.525 3.386 3.682 . 0 0 "[ . 1 . 2]" 1
1202 1 59 LEU HA 1 59 LEU MD2 2.910 . 4.030 1.907 1.861 1.971 . 0 0 "[ . 1 . 2]" 1
1203 1 61 LEU H 1 61 LEU MD2 4.230 . 6.660 3.444 2.310 4.257 . 0 0 "[ . 1 . 2]" 1
1204 1 61 LEU HA 1 61 LEU MD2 3.600 . 5.400 3.128 1.917 3.902 . 0 0 "[ . 1 . 2]" 1
1205 1 61 LEU H 1 61 LEU MD1 3.330 . 4.860 3.835 2.293 4.259 . 0 0 "[ . 1 . 2]" 1
1206 1 61 LEU HA 1 61 LEU MD1 2.710 . 3.630 2.256 1.862 3.616 . 0 0 "[ . 1 . 2]" 1
1207 1 62 ILE H 1 62 ILE MG 3.250 . 4.710 2.226 2.063 2.332 . 0 0 "[ . 1 . 2]" 1
1208 1 62 ILE MG 1 63 LYS H 3.610 . 5.430 4.061 3.900 4.146 . 0 0 "[ . 1 . 2]" 1
1209 1 62 ILE H 1 62 ILE MD 3.080 . 4.360 3.695 3.618 3.812 . 0 0 "[ . 1 . 2]" 1
1210 1 62 ILE HB 1 62 ILE MD 2.790 . 3.780 2.418 2.383 2.442 . 0 0 "[ . 1 . 2]" 1
1211 1 64 VAL H 1 64 VAL MG2 2.730 . 3.670 2.265 2.024 2.490 . 0 0 "[ . 1 . 2]" 1
1212 1 64 VAL HA 1 64 VAL MG2 2.610 . 3.420 2.369 2.267 2.403 . 0 0 "[ . 1 . 2]" 1
1213 1 64 VAL MG2 1 65 ARG H 3.540 . 5.290 3.798 3.687 3.980 . 0 0 "[ . 1 . 2]" 1
1214 1 64 VAL H 1 64 VAL MG1 3.110 . 4.430 3.777 3.755 3.808 . 0 0 "[ . 1 . 2]" 1
1215 1 64 VAL HA 1 64 VAL MG1 2.700 . 3.600 2.424 2.367 2.525 . 0 0 "[ . 1 . 2]" 1
1216 1 64 VAL MG1 1 65 ARG H 3.870 . 5.940 3.306 3.005 3.539 . 0 0 "[ . 1 . 2]" 1
1217 1 70 VAL H 1 70 VAL MG1 3.060 . 4.320 2.057 1.954 2.219 . 0 0 "[ . 1 . 2]" 1
1218 1 70 VAL MG1 1 71 HIS H 3.240 . 4.680 3.572 3.219 3.854 . 0 0 "[ . 1 . 2]" 1
1219 1 70 VAL MG2 1 71 HIS H 3.150 . 4.500 2.097 1.786 2.350 0.014 5 0 "[ . 1 . 2]" 1
1220 1 75 ILE H 1 75 ILE MG 3.240 . 4.680 3.766 3.754 3.787 . 0 0 "[ . 1 . 2]" 1
1221 1 75 ILE MG 1 76 GLU H 3.780 . 5.760 3.428 3.165 3.553 . 0 0 "[ . 1 . 2]" 1
1222 1 75 ILE H 1 75 ILE MD 3.090 . 4.390 3.280 1.769 3.606 0.021 3 0 "[ . 1 . 2]" 1
1223 1 75 ILE HA 1 75 ILE MD 3.060 . 4.320 3.484 1.877 3.868 . 0 0 "[ . 1 . 2]" 1
1224 1 75 ILE MD 1 76 GLU H 3.710 . 5.620 4.493 3.847 4.658 . 0 0 "[ . 1 . 2]" 1
1225 1 74 GLN HA 1 77 ALA MB 2.910 . 4.030 2.562 2.283 3.254 . 0 0 "[ . 1 . 2]" 1
1226 1 77 ALA H 1 77 ALA MB 2.680 . 3.560 2.248 2.228 2.275 . 0 0 "[ . 1 . 2]" 1
1227 1 78 VAL MG1 1 79 LYS H 3.600 . 5.400 3.341 3.178 3.464 . 0 0 "[ . 1 . 2]" 1
1228 1 78 VAL HA 1 78 VAL MG2 2.750 . 3.710 2.301 2.245 2.363 . 0 0 "[ . 1 . 2]" 1
1229 1 78 VAL MG2 1 79 LYS H 3.610 . 5.430 3.975 3.853 4.062 . 0 0 "[ . 1 . 2]" 1
1230 1 83 LEU H 1 83 LEU MD2 3.450 . 5.110 3.384 2.082 3.643 . 0 0 "[ . 1 . 2]" 1
1231 1 83 LEU HA 1 83 LEU MD2 2.730 . 3.670 1.975 1.852 2.566 . 0 0 "[ . 1 . 2]" 1
1232 1 83 LEU HB3 1 83 LEU MD2 2.770 . 3.740 2.413 2.317 3.206 . 0 0 "[ . 1 . 2]" 1
1233 1 83 LEU MD2 1 84 GLU H 4.410 . 7.020 4.621 4.058 4.694 . 0 0 "[ . 1 . 2]" 1
1234 1 83 LEU H 1 83 LEU MD1 3.560 . 5.330 3.652 3.550 3.754 . 0 0 "[ . 1 . 2]" 1
1235 1 83 LEU HA 1 83 LEU MD1 3.250 . 4.710 3.739 1.891 3.864 . 0 0 "[ . 1 . 2]" 1
1236 1 83 LEU HB3 1 83 LEU MD1 2.750 . 3.710 2.382 2.331 2.430 . 0 0 "[ . 1 . 2]" 1
1237 1 83 LEU MD1 1 84 GLU H 4.050 . 6.300 4.543 4.416 4.669 . 0 0 "[ . 1 . 2]" 1
1238 1 85 LEU HA 1 85 LEU MD1 4.410 . 7.020 3.688 3.588 3.767 . 0 0 "[ . 1 . 2]" 1
1239 1 85 LEU H 1 85 LEU MD2 4.060 . 6.330 4.274 4.224 4.311 . 0 0 "[ . 1 . 2]" 1
1240 1 85 LEU HA 1 85 LEU MD2 3.540 . 5.290 3.050 2.462 3.305 . 0 0 "[ . 1 . 2]" 1
1241 1 85 LEU MD2 1 86 VAL H 3.700 . 5.610 3.270 3.035 3.909 . 0 0 "[ . 1 . 2]" 1
1242 1 86 VAL H 1 86 VAL MG2 2.820 . 3.850 2.021 1.966 2.119 . 0 0 "[ . 1 . 2]" 1
1243 1 86 VAL MG2 1 87 LEU H 3.530 . 5.260 3.778 3.728 3.867 . 0 0 "[ . 1 . 2]" 1
1244 1 86 VAL MG1 1 87 LEU H 3.330 . 4.860 3.401 3.289 3.518 . 0 0 "[ . 1 . 2]" 1
1245 1 87 LEU HA 1 87 LEU MD1 3.130 . 4.460 2.075 2.006 2.135 . 0 0 "[ . 1 . 2]" 1
1246 1 87 LEU HA 1 87 LEU MD2 3.870 . 5.940 3.883 3.857 3.907 . 0 0 "[ . 1 . 2]" 1
1247 1 87 LEU MD2 1 88 GLN H 4.060 . 6.330 4.124 3.821 4.376 . 0 0 "[ . 1 . 2]" 1
1248 1 91 VAL MG1 1 92 HIS H 4.140 . 6.480 4.066 3.996 4.184 . 0 0 "[ . 1 . 2]" 1
1249 1 91 VAL H 1 91 VAL MG2 2.980 . 4.170 1.992 1.868 2.155 . 0 0 "[ . 1 . 2]" 1
1250 1 91 VAL MG2 1 92 HIS H 3.450 . 5.110 2.558 2.241 2.932 . 0 0 "[ . 1 . 2]" 1
1251 1 94 ILE H 1 94 ILE MG 3.160 . 4.530 2.800 1.994 3.300 . 0 0 "[ . 1 . 2]" 1
1252 1 102 ILE H 1 102 ILE MG 3.160 . 4.530 3.773 3.759 3.783 . 0 0 "[ . 1 . 2]" 1
1253 1 102 ILE H 1 102 ILE MD 3.800 . 5.800 3.622 3.555 3.759 . 0 0 "[ . 1 . 2]" 1
1254 1 102 ILE MD 1 103 THR H 4.410 . 7.020 4.544 4.413 4.681 . 0 0 "[ . 1 . 2]" 1
1255 1 103 THR H 1 103 THR MG 3.290 . 4.790 3.760 3.751 3.770 . 0 0 "[ . 1 . 2]" 1
1256 1 103 THR MG 1 104 GLU H 3.130 . 4.460 3.490 3.404 3.595 . 0 0 "[ . 1 . 2]" 1
1257 1 106 VAL MG1 1 107 LEU H 3.450 . 5.110 3.205 3.068 3.391 . 0 0 "[ . 1 . 2]" 1
1258 1 106 VAL H 1 106 VAL MG2 2.930 . 4.070 2.176 2.088 2.313 . 0 0 "[ . 1 . 2]" 1
1259 1 106 VAL HA 1 106 VAL MG2 2.770 . 3.740 2.355 2.312 2.392 . 0 0 "[ . 1 . 2]" 1
1260 1 106 VAL MG2 1 107 LEU H 3.610 . 5.430 3.798 3.742 3.858 . 0 0 "[ . 1 . 2]" 1
1261 1 107 LEU H 1 107 LEU MD2 3.220 . 4.640 3.206 2.276 3.709 . 0 0 "[ . 1 . 2]" 1
1262 1 107 LEU HA 1 107 LEU MD2 2.900 . 4.000 2.041 1.871 2.485 . 0 0 "[ . 1 . 2]" 1
1263 1 107 LEU HB3 1 107 LEU MD2 2.720 . 3.640 2.575 2.333 3.211 . 0 0 "[ . 1 . 2]" 1
1264 1 107 LEU MD2 1 108 TYR H 3.960 . 6.120 4.571 4.237 4.705 . 0 0 "[ . 1 . 2]" 1
1265 1 107 LEU H 1 107 LEU MD1 3.450 . 5.110 3.712 3.560 3.929 . 0 0 "[ . 1 . 2]" 1
1266 1 107 LEU HA 1 107 LEU MD1 3.180 . 4.570 3.352 1.881 3.863 . 0 0 "[ . 1 . 2]" 1
1267 1 107 LEU MD1 1 108 TYR H 4.120 . 6.440 4.587 4.373 4.760 . 0 0 "[ . 1 . 2]" 1
1268 1 110 LEU HA 1 110 LEU MD2 2.930 . 4.070 1.969 1.927 2.017 . 0 0 "[ . 1 . 2]" 1
1269 1 110 LEU MD2 1 111 HIS H 4.410 . 7.020 4.653 4.591 4.689 . 0 0 "[ . 1 . 2]" 1
1270 1 110 LEU HA 1 110 LEU MD1 3.340 . 4.890 3.843 3.822 3.863 . 0 0 "[ . 1 . 2]" 1
1271 1 110 LEU MD1 1 111 HIS H 4.410 . 7.020 4.533 4.425 4.629 . 0 0 "[ . 1 . 2]" 1
1272 1 109 THR HA 1 112 ALA MB 2.860 . 3.920 2.580 2.320 2.764 . 0 0 "[ . 1 . 2]" 1
1273 1 112 ALA H 1 112 ALA MB 2.730 . 3.670 2.233 2.206 2.252 . 0 0 "[ . 1 . 2]" 1
1274 1 112 ALA MB 1 113 VAL H 3.000 . 4.210 2.469 2.355 2.658 . 0 0 "[ . 1 . 2]" 1
1275 1 113 VAL H 1 113 VAL MG2 2.890 . 3.990 2.085 1.987 2.174 . 0 0 "[ . 1 . 2]" 1
1276 1 115 ASP HA 1 118 ALA MB 2.950 . 4.100 2.969 2.486 3.532 . 0 0 "[ . 1 . 2]" 1
1277 1 7 LEU MD1 1 10 THR HB 3.400 . 5.000 2.985 2.117 3.486 . 0 0 "[ . 1 . 2]" 1
1278 1 7 LEU MD1 1 114 LYS HA 3.420 . 5.040 3.192 2.104 4.570 . 0 0 "[ . 1 . 2]" 1
1279 1 7 LEU MD1 1 10 THR HG1 4.280 . 6.770 3.953 2.434 4.849 . 0 0 "[ . 1 . 2]" 1
1280 1 7 LEU MD2 1 11 GLU HG2 4.410 . 7.020 4.049 3.147 5.097 . 0 0 "[ . 1 . 2]" 1
1281 1 7 LEU MD2 1 11 GLU HG3 4.410 . 7.020 4.073 3.014 5.622 . 0 0 "[ . 1 . 2]" 1
1282 1 7 LEU MD1 1 8 GLU HA 4.060 . 6.330 4.595 3.197 5.419 . 0 0 "[ . 1 . 2]" 1
1283 1 6 LEU MD1 1 9 MET ME 3.780 . 5.770 2.205 1.766 2.940 0.024 6 0 "[ . 1 . 2]" 1
1284 1 9 MET ME 1 57 GLY HA3 2.910 . 4.030 3.671 2.734 4.084 0.054 3 0 "[ . 1 . 2]" 1
1285 1 6 LEU HA 1 9 MET ME 2.750 . 3.710 2.859 1.768 3.799 0.089 17 0 "[ . 1 . 2]" 1
1286 1 9 MET ME 1 57 GLY HA2 3.900 . 6.010 4.942 3.991 5.447 . 0 0 "[ . 1 . 2]" 1
1287 1 9 MET ME 1 58 ALA H 4.410 . 7.020 4.885 4.090 5.799 . 0 0 "[ . 1 . 2]" 1
1288 1 9 MET ME 1 54 TRP H 4.010 . 6.230 3.655 2.909 5.144 . 0 0 "[ . 1 . 2]" 1
1289 1 9 MET ME 1 57 GLY H 3.990 . 6.190 4.033 3.323 4.759 . 0 0 "[ . 1 . 2]" 1
1290 1 10 THR MG 1 110 LEU HA 3.380 . 4.970 3.090 2.481 3.554 . 0 0 "[ . 1 . 2]" 1
1291 1 7 LEU HA 1 10 THR MG 4.140 . 6.480 4.294 3.890 4.510 . 0 0 "[ . 1 . 2]" 1
1292 1 10 THR MG 1 54 TRP HE1 3.240 . 4.680 2.470 2.121 2.944 . 0 0 "[ . 1 . 2]" 1
1293 1 10 THR MG 1 114 LYS H 3.490 . 5.180 3.159 2.796 3.633 . 0 0 "[ . 1 . 2]" 1
1294 1 10 THR MG 1 13 MET H 4.410 . 7.020 4.658 4.521 4.830 . 0 0 "[ . 1 . 2]" 1
1295 1 10 THR MG 1 113 VAL HB 3.850 . 5.900 2.925 2.444 3.295 . 0 0 "[ . 1 . 2]" 1
1296 1 10 THR MG 1 114 LYS HB3 3.310 . 4.820 3.970 3.515 4.454 . 0 0 "[ . 1 . 2]" 1
1297 1 10 THR MG 1 114 LYS HB2 3.250 . 4.710 2.562 2.060 3.129 . 0 0 "[ . 1 . 2]" 1
1298 1 10 THR MG 1 114 LYS HG3 3.780 . 5.760 3.851 2.972 4.407 . 0 0 "[ . 1 . 2]" 1
1299 1 10 THR MG 1 14 ILE MD 3.870 . 5.950 2.345 1.980 2.916 . 0 0 "[ . 1 . 2]" 1
1300 1 7 LEU MD1 1 11 GLU HG2 3.490 . 5.180 2.914 1.937 4.457 . 0 0 "[ . 1 . 2]" 1
1301 1 7 LEU MD1 1 11 GLU HG3 3.490 . 5.180 3.529 2.357 4.345 . 0 0 "[ . 1 . 2]" 1
1302 1 12 GLN HG2 1 16 VAL MG2 3.580 . 5.360 3.486 2.358 4.580 . 0 0 "[ . 1 . 2]" 1
1303 1 12 GLN HG3 1 16 VAL MG2 3.580 . 5.360 3.230 2.385 4.725 . 0 0 "[ . 1 . 2]" 1
1304 1 12 GLN HG3 1 50 LEU MD2 3.240 . 4.680 3.437 2.447 4.562 . 0 0 "[ . 1 . 2]" 1
1305 1 12 GLN HG2 1 50 LEU MD2 3.240 . 4.680 3.045 2.150 4.495 . 0 0 "[ . 1 . 2]" 1
1306 1 12 GLN HB3 1 50 LEU MD2 3.650 . 5.510 2.829 1.909 3.819 . 0 0 "[ . 1 . 2]" 1
1307 1 12 GLN HB2 1 50 LEU MD2 3.650 . 5.510 4.143 3.316 5.105 . 0 0 "[ . 1 . 2]" 1
1308 1 13 MET ME 1 50 LEU HB2 3.690 . 5.580 4.891 3.671 5.625 0.045 1 0 "[ . 1 . 2]" 1
1309 1 13 MET ME 1 82 PHE HB2 4.320 . 6.840 4.051 2.761 5.149 . 0 0 "[ . 1 . 2]" 1
1310 1 13 MET ME 1 82 PHE HB3 4.300 . 6.800 4.103 3.093 4.932 . 0 0 "[ . 1 . 2]" 1
1311 1 13 MET ME 1 51 ALA HA 3.380 . 4.970 2.370 1.816 3.772 . 0 0 "[ . 1 . 2]" 1
1312 1 13 MET ME 1 82 PHE QE 4.820 . 7.850 3.411 2.991 4.061 . 0 0 "[ . 1 . 2]" 1
1313 1 13 MET ME 1 82 PHE QD 4.990 . 8.180 3.311 2.699 4.052 . 0 0 "[ . 1 . 2]" 1
1314 1 11 GLU H 1 14 ILE MD 4.410 . 7.020 4.266 3.852 5.695 . 0 0 "[ . 1 . 2]" 1
1315 1 14 ILE MG 1 111 HIS H 4.410 . 7.020 5.424 4.341 6.344 . 0 0 "[ . 1 . 2]" 1
1316 1 14 ILE MG 1 17 ALA H 4.410 . 7.020 4.764 4.570 4.970 . 0 0 "[ . 1 . 2]" 1
1317 1 11 GLU HA 1 14 ILE MD 3.090 . 4.390 2.542 1.982 4.326 . 0 0 "[ . 1 . 2]" 1
1318 1 11 GLU HA 1 14 ILE MG 3.740 . 5.690 4.031 3.802 4.263 . 0 0 "[ . 1 . 2]" 1
1319 1 14 ILE MG 1 111 HIS HA 3.960 . 6.120 5.263 4.097 6.154 0.034 4 0 "[ . 1 . 2]" 1
1320 1 14 ILE MG 1 15 GLU HA 3.690 . 5.580 3.267 3.001 3.479 . 0 0 "[ . 1 . 2]" 1
1321 1 14 ILE MG 1 107 LEU MD2 3.930 . 6.060 2.728 1.918 4.640 . 0 0 "[ . 1 . 2]" 1
1322 1 14 ILE MD 1 114 LYS HG2 3.890 . 5.980 4.345 3.093 6.016 0.036 4 0 "[ . 1 . 2]" 1
1323 1 14 ILE MD 1 114 LYS HB3 3.650 . 5.510 3.763 3.022 4.922 . 0 0 "[ . 1 . 2]" 1
1324 1 14 ILE MG 1 18 GLU HG2 3.510 . 5.220 3.668 2.607 4.653 . 0 0 "[ . 1 . 2]" 1
1325 1 14 ILE MG 1 18 GLU HB2 4.300 . 6.800 3.742 3.140 4.333 . 0 0 "[ . 1 . 2]" 1
1326 1 14 ILE MG 1 18 GLU HG3 3.510 . 5.220 2.958 2.290 4.030 . 0 0 "[ . 1 . 2]" 1
1327 1 10 THR MG 1 14 ILE MG 4.920 . 8.040 4.633 4.369 4.922 . 0 0 "[ . 1 . 2]" 1
1328 1 13 MET ME 1 110 LEU MD2 4.200 . 6.600 3.351 2.442 4.423 . 0 0 "[ . 1 . 2]" 1
1329 1 14 ILE MG 1 110 LEU MD1 4.320 . 6.850 3.282 2.995 3.992 . 0 0 "[ . 1 . 2]" 1
1330 1 14 ILE HA 1 110 LEU MD1 3.220 . 4.640 2.153 1.882 2.562 . 0 0 "[ . 1 . 2]" 1
1331 1 14 ILE MD 1 110 LEU MD1 3.870 . 5.950 3.340 2.001 3.850 . 0 0 "[ . 1 . 2]" 1
1332 1 16 VAL MG1 1 82 PHE QE 4.840 . 7.890 3.000 2.645 3.745 . 0 0 "[ . 1 . 2]" 1
1333 1 16 VAL MG1 1 82 PHE HZ 3.360 . 4.930 2.448 2.102 3.175 . 0 0 "[ . 1 . 2]" 1
1334 1 16 VAL MG1 1 82 PHE QD 5.470 . 9.150 4.563 4.143 5.257 . 0 0 "[ . 1 . 2]" 1
1335 1 16 VAL MG2 1 47 ASN HD21 3.560 . 5.330 4.357 3.110 5.395 0.065 12 0 "[ . 1 . 2]" 1
1336 1 12 GLN HE21 1 16 VAL MG2 3.830 . 5.870 3.121 2.129 4.007 . 0 0 "[ . 1 . 2]" 1
1337 1 16 VAL MG2 1 82 PHE HZ 3.580 . 5.360 3.085 2.452 3.678 . 0 0 "[ . 1 . 2]" 1
1338 1 12 GLN HE22 1 16 VAL MG2 3.830 . 5.870 3.872 2.405 5.133 . 0 0 "[ . 1 . 2]" 1
1339 1 13 MET HA 1 16 VAL MG2 3.060 . 4.320 3.039 2.625 3.384 . 0 0 "[ . 1 . 2]" 1
1340 1 13 MET HA 1 16 VAL MG1 3.990 . 6.190 4.152 3.844 4.419 . 0 0 "[ . 1 . 2]" 1
1341 1 16 VAL MG1 1 17 ALA HA 4.140 . 6.480 3.415 3.245 3.610 . 0 0 "[ . 1 . 2]" 1
1342 1 12 GLN HA 1 16 VAL MG2 3.510 . 5.220 3.810 3.438 4.096 . 0 0 "[ . 1 . 2]" 1
1343 1 16 VAL MG1 1 86 VAL MG2 3.940 . 6.090 2.846 2.531 3.365 . 0 0 "[ . 1 . 2]" 1
1344 1 16 VAL MG2 1 86 VAL MG2 4.660 . 7.530 4.703 4.205 5.244 . 0 0 "[ . 1 . 2]" 1
1345 1 17 ALA MB 1 82 PHE QE 5.330 . 8.860 2.520 1.789 3.735 0.011 3 0 "[ . 1 . 2]" 1
1346 1 17 ALA MB 1 82 PHE QD 5.470 . 9.150 3.455 2.801 4.268 . 0 0 "[ . 1 . 2]" 1
1347 1 17 ALA MB 1 21 ALA MB 4.320 . 6.850 4.291 3.953 4.779 . 0 0 "[ . 1 . 2]" 1
1348 1 17 ALA MB 1 106 VAL HB 4.410 . 7.020 3.650 3.201 4.192 . 0 0 "[ . 1 . 2]" 1
1349 1 17 ALA MB 1 18 GLU HB2 4.390 . 6.980 4.246 3.729 4.623 . 0 0 "[ . 1 . 2]" 1
1350 1 17 ALA MB 1 107 LEU MD2 3.890 . 5.990 2.048 1.789 2.423 0.001 11 0 "[ . 1 . 2]" 1
1351 1 17 ALA MB 1 107 LEU MD1 4.660 . 7.530 3.157 2.406 3.530 . 0 0 "[ . 1 . 2]" 1
1352 1 17 ALA MB 1 85 LEU MD2 3.840 . 5.880 3.769 3.053 4.464 . 0 0 "[ . 1 . 2]" 1
1353 1 17 ALA MB 1 110 LEU MD1 4.660 . 7.530 2.861 2.404 3.217 . 0 0 "[ . 1 . 2]" 1
1354 1 18 GLU HA 1 107 LEU MD2 4.030 . 6.260 3.838 3.191 4.576 . 0 0 "[ . 1 . 2]" 1
1355 1 18 GLU HG3 1 107 LEU MD2 3.560 . 5.330 3.467 1.879 4.799 . 0 0 "[ . 1 . 2]" 1
1356 1 20 GLY HA3 1 85 LEU MD2 4.370 . 6.950 3.180 1.997 3.831 . 0 0 "[ . 1 . 2]" 1
1357 1 20 GLY HA2 1 85 LEU MD2 4.410 . 7.020 4.445 3.096 5.018 . 0 0 "[ . 1 . 2]" 1
1358 1 21 ALA MB 1 99 PHE QE 4.550 . 7.310 2.864 2.202 3.792 . 0 0 "[ . 1 . 2]" 1
1359 1 21 ALA MB 1 99 PHE HZ 3.880 . 5.970 3.944 2.531 5.035 . 0 0 "[ . 1 . 2]" 1
1360 1 21 ALA MB 1 85 LEU MD2 4.920 . 8.040 4.040 3.613 4.626 . 0 0 "[ . 1 . 2]" 1
1361 1 21 ALA MB 1 107 LEU MD1 4.920 . 8.040 4.242 2.819 6.118 . 0 0 "[ . 1 . 2]" 1
1362 1 21 ALA HA 1 85 LEU MD2 4.410 . 7.020 4.383 3.734 4.872 . 0 0 "[ . 1 . 2]" 1
1363 1 21 ALA MB 1 22 ASP HA 3.830 . 5.870 3.865 3.777 3.926 . 0 0 "[ . 1 . 2]" 1
1364 1 34 TYR QD 1 39 THR MG 4.550 . 7.310 3.821 1.787 6.823 0.003 7 0 "[ . 1 . 2]" 1
1365 1 39 THR MG 1 90 TYR QE 4.900 . 8.000 3.460 2.302 5.479 . 0 0 "[ . 1 . 2]" 1
1366 1 39 THR MG 1 90 TYR QD 5.470 . 9.150 4.165 2.751 6.723 . 0 0 "[ . 1 . 2]" 1
1367 1 39 THR MG 1 40 ILE HA 4.100 . 6.410 4.022 3.122 5.443 . 0 0 "[ . 1 . 2]" 1
1368 1 34 TYR QB 1 39 THR MG 4.850 . 7.900 4.289 1.763 7.948 0.048 12 0 "[ . 1 . 2]" 1
1369 1 40 ILE MG 1 90 TYR HB2 4.230 . 6.660 4.415 3.405 5.818 . 0 0 "[ . 1 . 2]" 1
1370 1 40 ILE MD 1 90 TYR HB2 3.360 . 4.930 3.218 2.148 4.692 . 0 0 "[ . 1 . 2]" 1
1371 1 37 PHE HA 1 40 ILE MD 4.190 . 6.590 5.238 3.602 6.183 . 0 0 "[ . 1 . 2]" 1
1372 1 37 PHE HA 1 40 ILE MG 3.970 . 6.150 4.916 4.021 5.631 . 0 0 "[ . 1 . 2]" 1
1373 1 36 PHE QD 1 40 ILE MD 5.400 . 9.000 3.328 1.970 4.891 . 0 0 "[ . 1 . 2]" 1
1374 1 36 PHE QD 1 40 ILE MG 4.930 . 8.070 3.375 1.992 4.283 . 0 0 "[ . 1 . 2]" 1
1375 1 36 PHE QE 1 40 ILE MG 4.900 . 8.000 3.359 2.443 4.326 . 0 0 "[ . 1 . 2]" 1
1376 1 40 ILE MG 1 41 LYS H 3.540 . 5.290 3.818 3.126 4.248 . 0 0 "[ . 1 . 2]" 1
1377 1 37 PHE QD 1 40 ILE MG 5.470 . 9.150 6.129 4.596 7.053 . 0 0 "[ . 1 . 2]" 1
1378 1 40 ILE MD 1 41 LYS H 4.410 . 7.020 4.925 3.977 5.679 . 0 0 "[ . 1 . 2]" 1
1379 1 43 ALA MB 1 47 ASN HD21 4.080 . 6.370 4.004 2.725 5.417 . 0 0 "[ . 1 . 2]" 1
1380 1 43 ALA MB 1 47 ASN H 4.410 . 7.020 4.362 4.044 4.671 . 0 0 "[ . 1 . 2]" 1
1381 1 43 ALA MB 1 90 TYR QE 4.520 . 7.240 3.779 2.539 4.682 . 0 0 "[ . 1 . 2]" 1
1382 1 43 ALA MB 1 44 VAL HA 4.170 . 6.550 3.822 3.756 3.899 . 0 0 "[ . 1 . 2]" 1
1383 1 43 ALA MB 1 46 GLU HB2 3.700 . 5.610 4.229 3.700 4.849 . 0 0 "[ . 1 . 2]" 1
1384 1 43 ALA MB 1 46 GLU HB3 4.210 . 6.620 5.022 3.967 5.571 . 0 0 "[ . 1 . 2]" 1
1385 1 40 ILE HA 1 43 ALA MB 3.610 . 5.430 3.589 2.139 4.433 . 0 0 "[ . 1 . 2]" 1
1386 1 43 ALA MB 1 47 ASN HB2 4.410 . 7.020 4.524 3.961 4.938 . 0 0 "[ . 1 . 2]" 1
1387 1 43 ALA MB 1 86 VAL MG1 4.120 . 6.450 3.129 2.295 4.064 . 0 0 "[ . 1 . 2]" 1
1388 1 43 ALA MB 1 86 VAL MG2 4.920 . 8.040 4.396 3.473 5.160 . 0 0 "[ . 1 . 2]" 1
1389 1 41 LYS HA 1 44 VAL MG2 4.410 . 7.020 3.100 2.109 3.842 . 0 0 "[ . 1 . 2]" 1
1390 1 41 LYS HA 1 44 VAL MG1 4.170 . 6.550 4.391 3.842 5.144 . 0 0 "[ . 1 . 2]" 1
1391 1 63 LYS QE 1 64 VAL MG1 4.850 . 7.900 5.309 4.062 6.576 . 0 0 "[ . 1 . 2]" 1
1392 1 43 ALA MB 1 46 GLU QG 4.420 . 7.040 4.705 3.996 5.268 . 0 0 "[ . 1 . 2]" 1
1393 1 49 GLU HG3 1 52 ALA MB 4.080 . 6.370 5.432 4.747 6.055 . 0 0 "[ . 1 . 2]" 1
1394 1 49 GLU HG2 1 52 ALA MB 4.080 . 6.370 4.536 3.696 5.279 . 0 0 "[ . 1 . 2]" 1
1395 1 13 MET H 1 50 LEU MD1 4.230 . 6.660 4.783 3.772 6.149 . 0 0 "[ . 1 . 2]" 1
1396 1 9 MET HG2 1 50 LEU MD1 3.780 . 5.760 3.340 1.967 4.505 . 0 0 "[ . 1 . 2]" 1
1397 1 9 MET QB 1 50 LEU MD1 4.560 . 7.320 3.695 2.949 4.798 . 0 0 "[ . 1 . 2]" 1
1398 1 9 MET HG3 1 50 LEU MD1 3.780 . 5.760 3.656 1.805 5.787 0.027 17 0 "[ . 1 . 2]" 1
1399 1 46 GLU HB2 1 50 LEU MD1 3.690 . 5.580 5.599 4.772 5.700 0.120 19 0 "[ . 1 . 2]" 1
1400 1 46 GLU QG 1 50 LEU MD1 4.810 . 7.830 4.899 2.943 6.037 . 0 0 "[ . 1 . 2]" 1
1401 1 16 VAL MG2 1 50 LEU MD2 4.570 . 7.350 3.289 2.678 4.125 . 0 0 "[ . 1 . 2]" 1
1402 1 51 ALA MB 1 83 LEU MD1 4.700 . 7.610 3.266 2.698 4.197 . 0 0 "[ . 1 . 2]" 1
1403 1 51 ALA MB 1 79 LYS QE 4.850 . 7.900 3.280 2.443 4.325 . 0 0 "[ . 1 . 2]" 1
1404 1 51 ALA MB 1 79 LYS HA 3.720 . 5.650 2.613 2.065 3.125 . 0 0 "[ . 1 . 2]" 1
1405 1 51 ALA MB 1 82 PHE QE 4.610 . 7.420 3.906 3.000 4.946 . 0 0 "[ . 1 . 2]" 1
1406 1 51 ALA MB 1 82 PHE QD 4.500 . 7.200 2.682 1.916 3.688 . 0 0 "[ . 1 . 2]" 1
1407 1 51 ALA MB 1 55 ALA H 4.210 . 6.620 4.417 4.114 4.696 . 0 0 "[ . 1 . 2]" 1
1408 1 9 MET ME 1 54 TRP HA 3.510 . 5.220 2.293 1.783 3.786 0.017 10 0 "[ . 1 . 2]" 1
1409 1 6 LEU MD1 1 54 TRP HA 3.630 . 5.470 3.285 2.103 4.266 . 0 0 "[ . 1 . 2]" 1
1410 1 55 ALA MB 1 58 ALA MB 4.250 . 6.710 3.954 3.732 4.139 . 0 0 "[ . 1 . 2]" 1
1411 1 55 ALA MB 1 75 ILE MD 4.920 . 8.040 4.938 4.381 5.959 . 0 0 "[ . 1 . 2]" 1
1412 1 55 ALA MB 1 75 ILE MG 3.840 . 5.880 2.719 2.246 3.437 . 0 0 "[ . 1 . 2]" 1
1413 1 55 ALA MB 1 56 GLU HA 4.410 . 7.020 3.822 3.776 3.854 . 0 0 "[ . 1 . 2]" 1
1414 1 54 TRP HZ3 1 55 ALA MB 4.060 . 6.330 4.279 3.946 4.738 . 0 0 "[ . 1 . 2]" 1
1415 1 54 TRP HE3 1 55 ALA MB 3.630 . 5.470 3.182 2.901 3.564 . 0 0 "[ . 1 . 2]" 1
1416 1 55 ALA MB 1 59 LEU H 4.030 . 6.260 4.416 4.209 4.608 . 0 0 "[ . 1 . 2]" 1
1417 1 55 ALA MB 1 79 LYS H 4.410 . 7.020 4.712 4.176 5.408 . 0 0 "[ . 1 . 2]" 1
1418 1 56 GLU HA 1 59 LEU MD1 3.180 . 4.570 2.789 1.997 3.426 . 0 0 "[ . 1 . 2]" 1
1419 1 56 GLU HG2 1 59 LEU MD1 4.370 . 6.950 4.454 3.248 5.619 . 0 0 "[ . 1 . 2]" 1
1420 1 56 GLU HG3 1 59 LEU MD1 4.370 . 6.950 4.698 3.508 5.643 . 0 0 "[ . 1 . 2]" 1
1421 1 57 GLY H 1 58 ALA MB 4.330 . 6.870 4.334 4.267 4.428 . 0 0 "[ . 1 . 2]" 1
1422 1 54 TRP HE3 1 58 ALA MB 3.740 . 5.690 4.093 3.803 4.462 . 0 0 "[ . 1 . 2]" 1
1423 1 54 TRP HZ3 1 58 ALA MB 3.870 . 5.940 4.137 3.767 4.622 . 0 0 "[ . 1 . 2]" 1
1424 1 58 ALA MB 1 75 ILE HB 4.410 . 7.020 4.229 4.052 4.408 . 0 0 "[ . 1 . 2]" 1
1425 1 9 MET ME 1 58 ALA MB 4.920 . 8.040 5.248 4.464 6.160 . 0 0 "[ . 1 . 2]" 1
1426 1 58 ALA MB 1 59 LEU HG 3.940 . 6.080 3.481 3.374 3.686 . 0 0 "[ . 1 . 2]" 1
1427 1 58 ALA MB 1 62 ILE MG 4.360 . 6.920 3.485 3.142 3.965 . 0 0 "[ . 1 . 2]" 1
1428 1 58 ALA MB 1 113 VAL MG1 4.180 . 6.560 3.069 2.546 3.549 . 0 0 "[ . 1 . 2]" 1
1429 1 56 GLU H 1 59 LEU MD1 4.050 . 6.300 4.300 3.886 4.558 . 0 0 "[ . 1 . 2]" 1
1430 1 59 LEU MD2 1 72 LYS HA 4.370 . 6.950 3.651 2.387 4.382 . 0 0 "[ . 1 . 2]" 1
1431 1 59 LEU MD1 1 76 GLU QB 4.090 . 6.390 5.383 3.804 6.115 . 0 0 "[ . 1 . 2]" 1
1432 1 55 ALA MB 1 59 LEU MD1 4.070 . 6.350 3.062 2.668 3.346 . 0 0 "[ . 1 . 2]" 1
1433 1 59 LEU MD2 1 72 LYS QE 4.850 . 7.900 3.962 2.518 5.694 . 0 0 "[ . 1 . 2]" 1
1434 1 60 GLU QG 1 64 VAL MG2 3.820 . 5.850 2.844 2.285 3.262 . 0 0 "[ . 1 . 2]" 1
1435 1 60 GLU QG 1 64 VAL MG1 4.270 . 6.750 4.898 4.242 5.530 . 0 0 "[ . 1 . 2]" 1
1436 1 60 GLU QG 1 61 LEU MD1 4.380 . 6.960 4.550 2.490 6.350 . 0 0 "[ . 1 . 2]" 1
1437 1 61 LEU MD1 1 117 ILE HA 4.150 . 6.510 4.301 2.425 5.814 . 0 0 "[ . 1 . 2]" 1
1438 1 61 LEU MD2 1 117 ILE HA 3.870 . 5.940 4.363 2.063 5.979 0.039 11 0 "[ . 1 . 2]" 1
1439 1 6 LEU MD2 1 61 LEU MD2 3.930 . 6.060 2.630 1.836 4.275 . 0 0 "[ . 1 . 2]" 1
1440 1 59 LEU HA 1 62 ILE MD 3.180 . 4.570 2.347 2.142 2.525 . 0 0 "[ . 1 . 2]" 1
1441 1 62 ILE MD 1 72 LYS HA 2.950 . 4.100 2.772 1.979 3.325 . 0 0 "[ . 1 . 2]" 1
1442 1 59 LEU HA 1 62 ILE MG 3.430 . 5.070 3.665 3.096 4.034 . 0 0 "[ . 1 . 2]" 1
1443 1 62 ILE MG 1 72 LYS HA 3.940 . 6.080 4.125 3.182 4.865 . 0 0 "[ . 1 . 2]" 1
1444 1 62 ILE MD 1 75 ILE HB 3.470 . 5.150 4.028 3.274 4.728 . 0 0 "[ . 1 . 2]" 1
1445 1 62 ILE MD 1 72 LYS HB3 3.130 . 4.460 3.270 2.080 4.278 . 0 0 "[ . 1 . 2]" 1
1446 1 62 ILE MD 1 72 LYS HB2 3.130 . 4.460 2.864 2.381 3.930 . 0 0 "[ . 1 . 2]" 1
1447 1 62 ILE MD 1 72 LYS QD 4.130 . 6.460 3.614 2.466 4.388 . 0 0 "[ . 1 . 2]" 1
1448 1 62 ILE MG 1 75 ILE HB 3.900 . 6.010 5.274 4.488 6.034 0.024 13 0 "[ . 1 . 2]" 1
1449 1 62 ILE MG 1 72 LYS HB3 4.100 . 6.410 5.280 3.028 6.445 0.035 16 0 "[ . 1 . 2]" 1
1450 1 62 ILE MG 1 72 LYS HB2 4.100 . 6.410 4.975 4.006 6.332 . 0 0 "[ . 1 . 2]" 1
1451 1 62 ILE MG 1 75 ILE MD 4.000 . 6.200 2.638 2.048 3.684 . 0 0 "[ . 1 . 2]" 1
1452 1 62 ILE MD 1 75 ILE MD 3.750 . 5.700 2.393 1.777 4.272 0.023 8 0 "[ . 1 . 2]" 1
1453 1 62 ILE MD 1 70 VAL MG2 4.450 . 7.100 4.489 3.770 5.200 . 0 0 "[ . 1 . 2]" 1
1454 1 62 ILE MG 1 70 VAL MG2 3.930 . 6.060 3.918 3.125 4.588 . 0 0 "[ . 1 . 2]" 1
1455 1 61 LEU H 1 62 ILE MG 4.410 . 7.020 4.260 3.947 4.476 . 0 0 "[ . 1 . 2]" 1
1456 1 6 LEU MD2 1 117 ILE MG 4.230 . 6.670 3.108 1.991 4.169 . 0 0 "[ . 1 . 2]" 1
1457 1 6 LEU MD2 1 61 LEU HB3 4.410 . 7.020 4.394 3.198 5.445 . 0 0 "[ . 1 . 2]" 1
1458 1 6 LEU MD2 1 61 LEU HB2 4.410 . 7.020 3.552 2.596 4.586 . 0 0 "[ . 1 . 2]" 1
1459 1 6 LEU MD2 1 58 ALA HA 3.420 . 5.040 3.509 2.494 4.502 . 0 0 "[ . 1 . 2]" 1
1460 1 6 LEU MD2 1 57 GLY HA3 4.410 . 7.020 3.648 2.839 5.077 . 0 0 "[ . 1 . 2]" 1
1461 1 6 LEU HA 1 6 LEU MD2 4.140 . 6.480 3.883 3.856 3.914 . 0 0 "[ . 1 . 2]" 1
1462 1 6 LEU MD2 1 10 THR H 4.410 . 7.020 5.889 5.106 6.470 . 0 0 "[ . 1 . 2]" 1
1463 1 6 LEU MD2 1 7 LEU H 4.320 . 6.840 4.595 3.725 5.262 . 0 0 "[ . 1 . 2]" 1
1464 1 61 LEU HA 1 64 VAL MG2 3.310 . 4.820 3.452 2.783 4.330 . 0 0 "[ . 1 . 2]" 1
1465 1 63 LYS H 1 64 VAL MG2 3.940 . 6.080 3.896 3.713 4.131 . 0 0 "[ . 1 . 2]" 1
1466 1 63 LYS H 1 64 VAL MG1 4.410 . 7.020 5.703 5.625 5.755 . 0 0 "[ . 1 . 2]" 1
1467 1 64 VAL MG1 1 65 ARG QG 4.090 . 6.390 3.138 1.793 5.183 . 0 0 "[ . 1 . 2]" 1
1468 1 64 VAL MG1 1 65 ARG QD 4.850 . 7.900 4.122 2.471 5.265 . 0 0 "[ . 1 . 2]" 1
1469 1 61 LEU MD1 1 65 ARG QD 4.850 . 7.900 3.814 2.063 5.222 . 0 0 "[ . 1 . 2]" 1
1470 1 61 LEU MD2 1 65 ARG QD 4.850 . 7.900 5.041 2.506 6.654 . 0 0 "[ . 1 . 2]" 1
1471 1 69 TYR QE 1 112 ALA MB 5.400 . 9.010 5.162 4.260 6.165 . 0 0 "[ . 1 . 2]" 1
1472 1 70 VAL MG1 1 113 VAL MG2 3.570 . 5.340 2.429 1.990 2.923 . 0 0 "[ . 1 . 2]" 1
1473 1 70 VAL MG1 1 112 ALA MB 3.800 . 5.810 3.544 2.781 4.165 . 0 0 "[ . 1 . 2]" 1
1474 1 70 VAL MG2 1 113 VAL MG2 3.690 . 5.590 2.298 1.786 3.316 0.004 19 0 "[ . 1 . 2]" 1
1475 1 70 VAL MG2 1 112 ALA MB 3.910 . 6.020 3.301 2.604 3.939 . 0 0 "[ . 1 . 2]" 1
1476 1 70 VAL MG1 1 74 GLN HB2 3.530 . 5.260 4.922 4.286 5.357 0.097 13 0 "[ . 1 . 2]" 1
1477 1 70 VAL MG1 1 113 VAL HA 3.650 . 5.510 3.359 2.963 3.957 . 0 0 "[ . 1 . 2]" 1
1478 1 70 VAL MG1 1 75 ILE HA 4.410 . 7.020 5.829 5.097 6.706 . 0 0 "[ . 1 . 2]" 1
1479 1 70 VAL MG1 1 109 THR HA 4.410 . 7.020 5.553 4.420 6.239 . 0 0 "[ . 1 . 2]" 1
1480 1 70 VAL MG1 1 112 ALA HA 4.350 . 6.910 5.519 4.863 6.125 . 0 0 "[ . 1 . 2]" 1
1481 1 70 VAL MG2 1 74 GLN HB2 3.200 . 4.610 2.671 2.059 3.194 . 0 0 "[ . 1 . 2]" 1
1482 1 70 VAL MG2 1 113 VAL HA 3.740 . 5.690 4.429 3.515 5.749 0.059 17 0 "[ . 1 . 2]" 1
1483 1 70 VAL MG1 1 75 ILE H 4.320 . 6.840 5.295 4.573 5.986 . 0 0 "[ . 1 . 2]" 1
1484 1 70 VAL MG2 1 113 VAL H 4.060 . 6.330 4.348 3.641 5.096 . 0 0 "[ . 1 . 2]" 1
1485 1 54 TRP HZ3 1 75 ILE MG 3.490 . 5.180 2.485 2.184 2.947 . 0 0 "[ . 1 . 2]" 1
1486 1 54 TRP HH2 1 75 ILE MG 3.630 . 5.470 3.603 2.801 4.075 . 0 0 "[ . 1 . 2]" 1
1487 1 74 GLN H 1 75 ILE MD 4.410 . 7.020 4.921 3.370 5.365 . 0 0 "[ . 1 . 2]" 1
1488 1 54 TRP HZ3 1 75 ILE MD 3.600 . 5.400 4.511 2.873 5.037 . 0 0 "[ . 1 . 2]" 1
1489 1 54 TRP HH2 1 75 ILE MD 3.310 . 4.820 4.290 2.417 4.856 0.036 16 0 "[ . 1 . 2]" 1
1490 1 59 LEU HA 1 75 ILE MG 3.520 . 5.250 4.201 3.475 4.843 . 0 0 "[ . 1 . 2]" 1
1491 1 72 LYS HA 1 75 ILE MG 4.010 . 6.230 4.350 3.695 4.990 . 0 0 "[ . 1 . 2]" 1
1492 1 59 LEU HA 1 75 ILE MD 3.720 . 5.650 3.819 2.642 5.346 . 0 0 "[ . 1 . 2]" 1
1493 1 72 LYS HA 1 75 ILE MD 3.220 . 4.640 2.624 1.997 4.494 . 0 0 "[ . 1 . 2]" 1
1494 1 55 ALA HA 1 75 ILE MG 3.250 . 4.710 2.455 2.111 3.090 . 0 0 "[ . 1 . 2]" 1
1495 1 70 VAL HB 1 75 ILE MD 3.260 . 4.720 4.472 3.839 4.765 0.045 6 0 "[ . 1 . 2]" 1
1496 1 59 LEU HG 1 75 ILE MG 2.970 . 4.140 2.798 1.955 3.603 . 0 0 "[ . 1 . 2]" 1
1497 1 75 ILE HA 1 109 THR MG 3.700 . 5.610 3.182 2.497 4.347 . 0 0 "[ . 1 . 2]" 1
1498 1 59 LEU MD1 1 75 ILE HB 4.030 . 6.260 4.849 3.836 5.479 . 0 0 "[ . 1 . 2]" 1
1499 1 75 ILE MG 1 109 THR MG 4.920 . 8.040 4.343 3.547 5.568 . 0 0 "[ . 1 . 2]" 1
1500 1 75 ILE MD 1 109 THR MG 3.580 . 5.370 4.011 2.809 4.823 . 0 0 "[ . 1 . 2]" 1
1501 1 70 VAL MG2 1 75 ILE MD 3.820 . 5.840 2.451 1.841 2.976 . 0 0 "[ . 1 . 2]" 1
1502 1 70 VAL MG1 1 75 ILE MD 4.000 . 6.200 2.704 2.020 3.549 . 0 0 "[ . 1 . 2]" 1
1503 1 58 ALA MB 1 75 ILE MG 3.730 . 5.660 2.225 1.957 2.508 . 0 0 "[ . 1 . 2]" 1
1504 1 58 ALA MB 1 75 ILE MD 3.590 . 5.380 2.107 1.792 3.642 0.008 8 0 "[ . 1 . 2]" 1
1505 1 75 ILE MG 1 76 GLU HA 4.410 . 7.020 3.419 3.093 3.583 . 0 0 "[ . 1 . 2]" 1
1506 1 59 LEU MD1 1 76 GLU HA 3.760 . 5.720 5.097 3.706 5.784 0.064 20 0 "[ . 1 . 2]" 1
1507 1 59 LEU MD1 1 76 GLU HG2 3.360 . 4.930 3.877 1.876 4.668 . 0 0 "[ . 1 . 2]" 1
1508 1 59 LEU MD1 1 76 GLU HG3 3.360 . 4.930 4.637 3.098 4.998 0.068 19 0 "[ . 1 . 2]" 1
1509 1 77 ALA MB 1 81 ASN HD22 4.300 . 6.800 2.982 2.407 4.270 . 0 0 "[ . 1 . 2]" 1
1510 1 76 GLU QB 1 77 ALA MB 4.450 . 7.110 3.802 3.572 3.922 . 0 0 "[ . 1 . 2]" 1
1511 1 78 VAL MG1 1 110 LEU MD2 4.290 . 6.780 2.792 2.118 3.315 . 0 0 "[ . 1 . 2]" 1
1512 1 78 VAL MG2 1 110 LEU MD1 4.920 . 8.040 4.911 4.496 5.478 . 0 0 "[ . 1 . 2]" 1
1513 1 78 VAL HA 1 106 VAL MG2 3.560 . 5.330 2.839 2.414 3.255 . 0 0 "[ . 1 . 2]" 1
1514 1 78 VAL HA 1 109 THR MG 4.230 . 6.660 5.137 4.935 5.404 . 0 0 "[ . 1 . 2]" 1
1515 1 77 ALA MB 1 78 VAL HA 3.900 . 6.010 3.785 3.725 3.875 . 0 0 "[ . 1 . 2]" 1
1516 1 77 ALA MB 1 78 VAL HB 4.240 . 6.690 4.564 4.408 4.790 . 0 0 "[ . 1 . 2]" 1
1517 1 78 VAL MG1 1 109 THR MG 4.360 . 6.920 3.447 2.875 4.104 . 0 0 "[ . 1 . 2]" 1
1518 1 78 VAL MG1 1 106 VAL MG1 3.690 . 5.590 1.899 1.762 2.251 0.028 7 0 "[ . 1 . 2]" 1
1519 1 78 VAL MG2 1 106 VAL MG2 3.800 . 5.810 2.892 2.328 3.387 . 0 0 "[ . 1 . 2]" 1
1520 1 77 ALA MB 1 78 VAL MG1 4.920 . 8.040 4.983 4.900 5.174 . 0 0 "[ . 1 . 2]" 1
1521 1 78 VAL MG1 1 110 LEU HG 3.490 . 5.180 3.399 2.984 3.865 . 0 0 "[ . 1 . 2]" 1
1522 1 78 VAL MG1 1 82 PHE HB2 3.400 . 5.000 2.785 2.601 3.087 . 0 0 "[ . 1 . 2]" 1
1523 1 78 VAL MG1 1 82 PHE HB3 3.490 . 5.180 3.893 3.542 4.187 . 0 0 "[ . 1 . 2]" 1
1524 1 75 ILE HA 1 78 VAL MG1 3.670 . 5.540 4.219 3.982 4.519 . 0 0 "[ . 1 . 2]" 1
1525 1 75 ILE HA 1 78 VAL MG2 3.400 . 5.000 3.302 2.654 3.772 . 0 0 "[ . 1 . 2]" 1
1526 1 78 VAL MG2 1 109 THR HB 3.310 . 4.820 2.210 1.829 2.910 . 0 0 "[ . 1 . 2]" 1
1527 1 54 TRP HE3 1 78 VAL MG1 3.920 . 6.050 4.107 3.530 4.829 . 0 0 "[ . 1 . 2]" 1
1528 1 54 TRP HZ3 1 78 VAL MG1 3.740 . 5.690 3.101 2.670 3.490 . 0 0 "[ . 1 . 2]" 1
1529 1 78 VAL MG1 1 81 ASN HD22 4.410 . 7.020 6.438 5.426 6.824 . 0 0 "[ . 1 . 2]" 1
1530 1 54 TRP HH2 1 78 VAL MG1 3.870 . 5.940 3.372 2.867 3.901 . 0 0 "[ . 1 . 2]" 1
1531 1 54 TRP HZ3 1 78 VAL MG2 3.290 . 4.790 3.864 2.976 4.531 . 0 0 "[ . 1 . 2]" 1
1532 1 54 TRP HH2 1 78 VAL MG2 3.160 . 4.530 3.525 2.694 4.538 0.008 17 0 "[ . 1 . 2]" 1
1533 1 78 VAL MG1 1 82 PHE H 3.800 . 5.800 3.726 3.616 3.867 . 0 0 "[ . 1 . 2]" 1
1534 1 78 VAL MG1 1 79 LYS HA 3.780 . 5.760 3.316 3.108 3.456 . 0 0 "[ . 1 . 2]" 1
1535 1 78 VAL MG1 1 82 PHE QD 5.470 . 9.150 3.846 3.300 4.380 . 0 0 "[ . 1 . 2]" 1
1536 1 48 ASP H 1 83 LEU MD1 3.670 . 5.540 4.880 2.968 5.531 . 0 0 "[ . 1 . 2]" 1
1537 1 48 ASP H 1 83 LEU MD2 3.540 . 5.290 3.394 3.111 4.442 . 0 0 "[ . 1 . 2]" 1
1538 1 82 PHE H 1 83 LEU MD2 4.410 . 7.020 5.454 3.983 5.791 . 0 0 "[ . 1 . 2]" 1
1539 1 82 PHE QE 1 83 LEU MD2 4.560 . 7.320 4.138 3.685 4.988 . 0 0 "[ . 1 . 2]" 1
1540 1 82 PHE QD 1 83 LEU MD2 4.520 . 7.240 3.084 1.947 3.724 . 0 0 "[ . 1 . 2]" 1
1541 1 82 PHE QE 1 83 LEU MD1 5.470 . 9.150 6.149 4.098 6.927 . 0 0 "[ . 1 . 2]" 1
1542 1 82 PHE QD 1 83 LEU MD1 5.470 . 9.150 4.767 3.389 5.417 . 0 0 "[ . 1 . 2]" 1
1543 1 48 ASP HA 1 83 LEU MD2 2.750 . 3.710 2.133 1.748 2.950 0.042 9 0 "[ . 1 . 2]" 1
1544 1 48 ASP HA 1 83 LEU MD1 2.800 . 3.810 2.884 1.782 3.475 0.008 18 0 "[ . 1 . 2]" 1
1545 1 79 LYS QE 1 83 LEU MD1 4.000 . 6.210 3.286 2.112 5.815 . 0 0 "[ . 1 . 2]" 1
1546 1 44 VAL HA 1 83 LEU MD1 4.410 . 7.020 5.987 3.587 6.811 . 0 0 "[ . 1 . 2]" 1
1547 1 51 ALA MB 1 83 LEU MD2 4.250 . 6.710 3.021 2.025 3.594 . 0 0 "[ . 1 . 2]" 1
1548 1 85 LEU MD1 1 103 THR MG 4.520 . 7.250 2.635 1.778 3.181 0.012 9 0 "[ . 1 . 2]" 1
1549 1 21 ALA H 1 85 LEU MD1 3.900 . 6.010 4.966 4.110 5.558 . 0 0 "[ . 1 . 2]" 1
1550 1 21 ALA H 1 85 LEU MD2 3.600 . 5.400 3.994 3.667 4.555 . 0 0 "[ . 1 . 2]" 1
1551 1 20 GLY H 1 85 LEU MD2 3.880 . 5.970 4.546 3.818 5.321 . 0 0 "[ . 1 . 2]" 1
1552 1 85 LEU MD1 1 103 THR H 4.410 . 7.020 3.513 3.149 3.991 . 0 0 "[ . 1 . 2]" 1
1553 1 85 LEU MD2 1 99 PHE QE 5.440 . 9.080 2.775 2.294 3.654 . 0 0 "[ . 1 . 2]" 1
1554 1 85 LEU MD2 1 99 PHE HZ 3.810 . 5.830 2.812 2.279 3.639 . 0 0 "[ . 1 . 2]" 1
1555 1 85 LEU MD1 1 103 THR HA 3.130 . 4.460 2.253 1.841 2.817 . 0 0 "[ . 1 . 2]" 1
1556 1 85 LEU MD2 1 103 THR HA 3.430 . 5.070 4.399 3.851 5.075 0.005 18 0 "[ . 1 . 2]" 1
1557 1 17 ALA HA 1 85 LEU MD2 2.860 . 3.920 3.128 2.656 3.774 . 0 0 "[ . 1 . 2]" 1
1558 1 82 PHE HA 1 85 LEU MD1 3.440 . 5.080 3.241 2.837 3.674 . 0 0 "[ . 1 . 2]" 1
1559 1 85 LEU MD1 1 106 VAL HB 4.030 . 6.260 3.381 2.849 4.177 . 0 0 "[ . 1 . 2]" 1
1560 1 85 LEU MD2 1 86 VAL HA 4.260 . 6.730 2.972 2.737 3.790 . 0 0 "[ . 1 . 2]" 1
1561 1 85 LEU MD2 1 102 ILE MD 4.920 . 8.040 5.443 5.078 6.279 . 0 0 "[ . 1 . 2]" 1
1562 1 85 LEU MD2 1 86 VAL MG2 4.650 . 7.500 3.146 2.867 4.186 . 0 0 "[ . 1 . 2]" 1
1563 1 47 ASN H 1 86 VAL MG1 4.210 . 6.620 5.274 4.302 6.036 . 0 0 "[ . 1 . 2]" 1
1564 1 47 ASN HD21 1 86 VAL MG1 3.690 . 5.580 4.330 1.793 5.591 0.011 4 0 "[ . 1 . 2]" 1
1565 1 47 ASN HD22 1 86 VAL MG1 3.690 . 5.580 4.204 3.029 5.218 . 0 0 "[ . 1 . 2]" 1
1566 1 86 VAL MG1 1 90 TYR QD 5.470 . 9.150 3.184 2.356 4.398 . 0 0 "[ . 1 . 2]" 1
1567 1 86 VAL MG1 1 90 TYR QE 4.610 . 7.420 2.432 1.967 3.990 . 0 0 "[ . 1 . 2]" 1
1568 1 82 PHE HZ 1 86 VAL MG2 4.410 . 7.020 3.860 3.338 4.619 . 0 0 "[ . 1 . 2]" 1
1569 1 83 LEU HA 1 86 VAL MG1 3.900 . 6.010 4.472 3.987 4.721 . 0 0 "[ . 1 . 2]" 1
1570 1 86 VAL MG1 1 89 SER QB 4.850 . 7.900 3.856 3.522 4.459 . 0 0 "[ . 1 . 2]" 1
1571 1 44 VAL HA 1 86 VAL MG1 3.560 . 5.330 3.684 2.442 4.552 . 0 0 "[ . 1 . 2]" 1
1572 1 83 LEU HA 1 86 VAL MG2 3.990 . 6.190 3.100 2.739 3.458 . 0 0 "[ . 1 . 2]" 1
1573 1 47 ASN HB2 1 86 VAL MG2 3.440 . 5.080 3.557 2.917 4.329 . 0 0 "[ . 1 . 2]" 1
1574 1 47 ASN HB2 1 86 VAL MG1 3.490 . 5.180 3.901 2.700 4.761 . 0 0 "[ . 1 . 2]" 1
1575 1 44 VAL HB 1 86 VAL MG1 4.410 . 7.020 5.691 4.654 6.654 . 0 0 "[ . 1 . 2]" 1
1576 1 16 VAL HB 1 86 VAL MG2 4.410 . 7.020 4.828 4.341 5.573 . 0 0 "[ . 1 . 2]" 1
1577 1 84 GLU H 1 87 LEU MD2 4.410 . 7.020 5.591 5.252 5.999 . 0 0 "[ . 1 . 2]" 1
1578 1 84 GLU HA 1 87 LEU MD2 4.390 . 6.980 3.417 2.977 3.855 . 0 0 "[ . 1 . 2]" 1
1579 1 91 VAL MG2 1 93 HIS H 3.340 . 4.890 2.169 1.762 3.148 0.028 1 0 "[ . 1 . 2]" 1
1580 1 91 VAL MG1 1 93 HIS H 3.810 . 5.830 4.911 4.521 5.853 0.023 10 0 "[ . 1 . 2]" 1
1581 1 90 TYR H 1 91 VAL MG1 4.410 . 7.020 4.154 3.911 4.446 . 0 0 "[ . 1 . 2]" 1
1582 1 91 VAL MG1 1 92 HIS HD2 4.410 . 7.020 6.538 5.348 7.122 0.102 11 0 "[ . 1 . 2]" 1
1583 1 36 PHE QE 1 91 VAL MG2 5.470 . 9.150 5.753 3.250 7.522 . 0 0 "[ . 1 . 2]" 1
1584 1 91 VAL MG2 1 92 HIS HD2 4.410 . 7.020 5.378 4.623 6.094 . 0 0 "[ . 1 . 2]" 1
1585 1 88 GLN HA 1 91 VAL MG2 2.910 . 4.030 2.059 1.731 2.586 0.059 17 0 "[ . 1 . 2]" 1
1586 1 87 LEU HG 1 91 VAL MG2 3.490 . 5.180 2.703 2.102 3.536 . 0 0 "[ . 1 . 2]" 1
1587 1 87 LEU HB2 1 91 VAL MG2 4.230 . 6.660 5.040 4.485 5.806 . 0 0 "[ . 1 . 2]" 1
1588 1 91 VAL MG1 1 93 HIS QB 4.700 . 7.610 4.522 3.873 5.283 . 0 0 "[ . 1 . 2]" 1
1589 1 90 TYR HB2 1 91 VAL MG1 4.070 . 6.340 3.026 2.769 3.375 . 0 0 "[ . 1 . 2]" 1
1590 1 91 VAL MG2 1 92 HIS HA 3.760 . 5.720 3.855 3.310 4.174 . 0 0 "[ . 1 . 2]" 1
1591 1 91 VAL MG2 1 93 HIS QB 4.670 . 7.540 2.508 1.885 3.827 . 0 0 "[ . 1 . 2]" 1
1592 1 94 ILE MD 1 99 PHE H 4.410 . 7.020 3.138 2.151 4.942 . 0 0 "[ . 1 . 2]" 1
1593 1 94 ILE MD 1 99 PHE QE 5.470 . 9.150 4.472 3.422 6.345 . 0 0 "[ . 1 . 2]" 1
1594 1 94 ILE MD 1 99 PHE QD 4.540 . 7.280 2.791 1.771 4.543 0.029 14 0 "[ . 1 . 2]" 1
1595 1 94 ILE MG 1 95 HIS H 3.810 . 5.830 3.549 3.180 4.363 . 0 0 "[ . 1 . 2]" 1
1596 1 93 HIS HD2 1 94 ILE MG 4.280 . 6.770 3.952 1.766 6.457 0.024 3 0 "[ . 1 . 2]" 1
1597 1 94 ILE MG 1 99 PHE QD 5.400 . 9.000 3.620 1.863 5.725 . 0 0 "[ . 1 . 2]" 1
1598 1 94 ILE MD 1 99 PHE HA 3.350 . 4.900 3.069 2.215 4.846 . 0 0 "[ . 1 . 2]" 1
1599 1 88 GLN HB2 1 94 ILE MD 3.260 . 4.720 3.618 2.278 4.730 0.010 11 0 "[ . 1 . 2]" 1
1600 1 88 GLN HB3 1 94 ILE MD 3.580 . 5.360 3.906 2.500 5.392 0.032 18 0 "[ . 1 . 2]" 1
1601 1 88 GLN HB3 1 94 ILE MG 3.650 . 5.510 3.482 2.212 5.074 . 0 0 "[ . 1 . 2]" 1
1602 1 88 GLN QG 1 94 ILE MG 4.700 . 7.610 3.609 2.705 5.238 . 0 0 "[ . 1 . 2]" 1
1603 1 88 GLN HB2 1 94 ILE MG 3.630 . 5.470 3.436 1.790 4.922 . 0 0 "[ . 1 . 2]" 1
1604 1 93 HIS QB 1 94 ILE MG 4.690 . 7.580 4.092 2.994 4.726 . 0 0 "[ . 1 . 2]" 1
1605 1 94 ILE MD 1 102 ILE MD 4.140 . 6.490 3.335 1.963 5.698 . 0 0 "[ . 1 . 2]" 1
1606 1 85 LEU H 1 102 ILE MD 3.920 . 6.050 4.630 3.971 5.507 . 0 0 "[ . 1 . 2]" 1
1607 1 85 LEU H 1 102 ILE MG 3.700 . 5.610 3.762 3.155 4.418 . 0 0 "[ . 1 . 2]" 1
1608 1 85 LEU HA 1 102 ILE MG 4.190 . 6.590 3.576 2.817 4.118 . 0 0 "[ . 1 . 2]" 1
1609 1 102 ILE MG 1 105 SER QB 4.720 . 7.650 3.820 3.320 4.960 . 0 0 "[ . 1 . 2]" 1
1610 1 99 PHE HA 1 102 ILE MG 3.920 . 6.050 4.270 3.845 4.593 . 0 0 "[ . 1 . 2]" 1
1611 1 85 LEU HA 1 102 ILE MD 4.250 . 6.700 4.041 3.408 4.739 . 0 0 "[ . 1 . 2]" 1
1612 1 99 PHE HA 1 102 ILE MD 3.960 . 6.120 2.944 2.120 3.628 . 0 0 "[ . 1 . 2]" 1
1613 1 102 ILE MG 1 103 THR HB 4.240 . 6.690 5.134 4.988 5.311 . 0 0 "[ . 1 . 2]" 1
1614 1 81 ASN HA 1 102 ILE MG 4.010 . 6.230 3.564 2.997 4.033 . 0 0 "[ . 1 . 2]" 1
1615 1 84 GLU QG 1 102 ILE MD 4.760 . 7.720 4.016 2.119 5.453 . 0 0 "[ . 1 . 2]" 1
1616 1 84 GLU QB 1 102 ILE MD 3.750 . 5.700 3.615 2.860 4.470 . 0 0 "[ . 1 . 2]" 1
1617 1 99 PHE HB2 1 102 ILE MD 4.230 . 6.660 4.724 3.783 5.488 . 0 0 "[ . 1 . 2]" 1
1618 1 94 ILE HB 1 102 ILE MD 4.410 . 7.020 4.923 3.772 6.570 . 0 0 "[ . 1 . 2]" 1
1619 1 85 LEU HB3 1 102 ILE MG 3.880 . 5.970 4.111 3.576 4.928 . 0 0 "[ . 1 . 2]" 1
1620 1 84 GLU QB 1 102 ILE MG 4.630 . 7.470 3.750 2.892 4.394 . 0 0 "[ . 1 . 2]" 1
1621 1 81 ASN HB3 1 102 ILE MG 3.650 . 5.510 2.179 1.784 2.734 0.006 16 0 "[ . 1 . 2]" 1
1622 1 81 ASN HB2 1 102 ILE MG 3.650 . 5.510 3.620 3.192 4.072 . 0 0 "[ . 1 . 2]" 1
1623 1 94 ILE MD 1 102 ILE HB 4.410 . 7.020 4.948 3.706 7.049 0.029 15 0 "[ . 1 . 2]" 1
1624 1 21 ALA MB 1 103 THR MG 3.940 . 6.090 2.133 1.743 2.921 0.047 18 0 "[ . 1 . 2]" 1
1625 1 21 ALA H 1 103 THR MG 4.190 . 6.590 3.885 3.078 4.741 . 0 0 "[ . 1 . 2]" 1
1626 1 106 VAL MG2 1 110 LEU H 4.410 . 7.020 5.635 5.452 5.821 . 0 0 "[ . 1 . 2]" 1
1627 1 106 VAL MG1 1 110 LEU H 4.070 . 6.340 3.918 3.668 4.033 . 0 0 "[ . 1 . 2]" 1
1628 1 105 SER H 1 106 VAL MG2 4.410 . 7.020 4.252 4.109 4.362 . 0 0 "[ . 1 . 2]" 1
1629 1 81 ASN H 1 106 VAL MG2 4.150 . 6.510 4.667 4.261 5.113 . 0 0 "[ . 1 . 2]" 1
1630 1 82 PHE QD 1 106 VAL MG2 5.470 . 9.150 3.310 2.432 4.173 . 0 0 "[ . 1 . 2]" 1
1631 1 82 PHE HA 1 106 VAL MG2 3.020 . 4.250 3.071 2.632 3.702 . 0 0 "[ . 1 . 2]" 1
1632 1 82 PHE HA 1 106 VAL MG1 3.290 . 4.790 3.683 3.277 4.148 . 0 0 "[ . 1 . 2]" 1
1633 1 103 THR HA 1 106 VAL MG2 3.780 . 5.760 3.269 3.001 3.597 . 0 0 "[ . 1 . 2]" 1
1634 1 103 THR HA 1 106 VAL MG1 3.940 . 6.080 4.226 3.969 4.528 . 0 0 "[ . 1 . 2]" 1
1635 1 81 ASN HB3 1 106 VAL MG2 3.290 . 4.790 2.787 2.410 3.563 . 0 0 "[ . 1 . 2]" 1
1636 1 81 ASN HB2 1 106 VAL MG2 3.290 . 4.790 2.930 2.585 3.391 . 0 0 "[ . 1 . 2]" 1
1637 1 82 PHE HB2 1 106 VAL MG2 3.600 . 5.400 3.485 2.768 4.111 . 0 0 "[ . 1 . 2]" 1
1638 1 82 PHE HB2 1 106 VAL MG1 3.490 . 5.180 3.262 2.938 3.689 . 0 0 "[ . 1 . 2]" 1
1639 1 78 VAL MG2 1 106 VAL HA 3.420 . 5.040 2.370 2.030 3.103 . 0 0 "[ . 1 . 2]" 1
1640 1 85 LEU HB2 1 106 VAL MG2 3.490 . 5.180 3.683 3.260 4.231 . 0 0 "[ . 1 . 2]" 1
1641 1 85 LEU MD1 1 106 VAL MG2 4.160 . 6.530 2.621 2.185 3.070 . 0 0 "[ . 1 . 2]" 1
1642 1 78 VAL MG1 1 106 VAL MG2 4.160 . 6.530 2.441 1.862 3.161 . 0 0 "[ . 1 . 2]" 1
1643 1 85 LEU MD1 1 106 VAL MG1 4.140 . 6.490 3.339 2.790 4.075 . 0 0 "[ . 1 . 2]" 1
1644 1 106 VAL MG1 1 110 LEU MD1 3.730 . 5.660 2.042 1.917 2.203 . 0 0 "[ . 1 . 2]" 1
1645 1 104 GLU HA 1 107 LEU MD2 3.940 . 6.080 4.793 3.696 5.381 . 0 0 "[ . 1 . 2]" 1
1646 1 104 GLU HA 1 107 LEU MD1 3.880 . 5.970 3.596 2.276 5.624 . 0 0 "[ . 1 . 2]" 1
1647 1 14 ILE HA 1 107 LEU MD2 3.330 . 4.860 3.030 2.270 4.428 . 0 0 "[ . 1 . 2]" 1
1648 1 18 GLU HG2 1 107 LEU MD2 3.560 . 5.330 3.143 2.161 4.324 . 0 0 "[ . 1 . 2]" 1
1649 1 18 GLU HG2 1 107 LEU MD1 3.870 . 5.940 3.129 2.058 4.182 . 0 0 "[ . 1 . 2]" 1
1650 1 18 GLU HG3 1 107 LEU MD1 3.870 . 5.940 3.650 2.121 4.903 . 0 0 "[ . 1 . 2]" 1
1651 1 14 ILE HA 1 107 LEU MD1 4.410 . 7.020 4.585 2.360 5.616 . 0 0 "[ . 1 . 2]" 1
1652 1 107 LEU MD1 1 110 LEU MD1 4.920 . 8.040 3.947 1.799 5.037 0.001 17 0 "[ . 1 . 2]" 1
1653 1 14 ILE MD 1 107 LEU MD1 4.920 . 8.040 5.170 3.338 6.252 . 0 0 "[ . 1 . 2]" 1
1654 1 107 LEU MD2 1 110 LEU MD1 4.110 . 6.420 2.213 1.784 2.797 0.016 14 0 "[ . 1 . 2]" 1
1655 1 14 ILE MD 1 107 LEU MD2 4.880 . 7.970 4.220 2.153 6.192 . 0 0 "[ . 1 . 2]" 1
1656 1 110 LEU MD2 1 113 VAL H 4.410 . 7.020 4.875 4.745 5.040 . 0 0 "[ . 1 . 2]" 1
1657 1 14 ILE H 1 110 LEU MD2 4.320 . 6.840 4.058 3.601 4.661 . 0 0 "[ . 1 . 2]" 1
1658 1 54 TRP HZ2 1 110 LEU MD2 3.470 . 5.150 2.611 2.326 2.988 . 0 0 "[ . 1 . 2]" 1
1659 1 54 TRP HH2 1 110 LEU MD2 4.050 . 6.300 3.208 2.676 3.828 . 0 0 "[ . 1 . 2]" 1
1660 1 10 THR HA 1 110 LEU MD2 4.050 . 6.300 3.311 2.357 4.005 . 0 0 "[ . 1 . 2]" 1
1661 1 13 MET HA 1 110 LEU MD1 4.230 . 6.660 4.372 4.124 4.607 . 0 0 "[ . 1 . 2]" 1
1662 1 10 THR MG 1 110 LEU MD1 4.340 . 6.890 3.635 3.132 4.165 . 0 0 "[ . 1 . 2]" 1
1663 1 78 VAL MG2 1 110 LEU MD2 4.680 . 7.570 3.997 3.327 4.734 . 0 0 "[ . 1 . 2]" 1
1664 1 10 THR MG 1 110 LEU MD2 3.750 . 5.700 2.306 1.844 2.883 . 0 0 "[ . 1 . 2]" 1
1665 1 78 VAL MG1 1 110 LEU MD1 4.920 . 8.040 3.724 3.384 4.178 . 0 0 "[ . 1 . 2]" 1
1666 1 14 ILE MD 1 111 HIS HA 3.810 . 5.830 3.495 2.876 4.009 . 0 0 "[ . 1 . 2]" 1
1667 1 70 VAL H 1 112 ALA MB 4.410 . 7.020 2.984 2.362 3.303 . 0 0 "[ . 1 . 2]" 1
1668 1 69 TYR HB3 1 112 ALA MB 4.010 . 6.230 2.413 1.887 3.521 . 0 0 "[ . 1 . 2]" 1
1669 1 69 TYR HB2 1 112 ALA MB 4.190 . 6.590 2.252 1.716 3.013 0.074 16 0 "[ . 1 . 2]" 1
1670 1 112 ALA MB 1 113 VAL HB 4.410 . 7.020 4.570 4.448 4.699 . 0 0 "[ . 1 . 2]" 1
1671 1 70 VAL HB 1 112 ALA MB 3.240 . 4.680 2.509 1.951 3.202 . 0 0 "[ . 1 . 2]" 1
1672 1 112 ALA MB 1 113 VAL MG2 4.120 . 6.450 2.934 2.770 3.068 . 0 0 "[ . 1 . 2]" 1
1673 1 54 TRP HE1 1 113 VAL MG1 3.360 . 4.930 3.122 2.475 3.744 . 0 0 "[ . 1 . 2]" 1
1674 1 54 TRP HZ2 1 113 VAL MG1 2.990 . 4.180 2.724 2.071 3.561 . 0 0 "[ . 1 . 2]" 1
1675 1 54 TRP HH2 1 113 VAL MG1 4.050 . 6.300 4.240 3.414 5.224 . 0 0 "[ . 1 . 2]" 1
1676 1 54 TRP HZ2 1 113 VAL MG2 2.880 . 3.960 2.223 1.782 2.809 0.018 20 0 "[ . 1 . 2]" 1
1677 1 54 TRP HH2 1 113 VAL MG2 3.330 . 4.860 2.663 2.224 3.364 . 0 0 "[ . 1 . 2]" 1
1678 1 110 LEU HA 1 113 VAL MG2 3.470 . 5.150 3.187 2.814 3.518 . 0 0 "[ . 1 . 2]" 1
1679 1 110 LEU HA 1 113 VAL MG1 3.980 . 6.160 4.414 4.141 4.648 . 0 0 "[ . 1 . 2]" 1
1680 1 113 VAL MG1 1 114 LYS HA 3.760 . 5.720 3.558 3.384 3.773 . 0 0 "[ . 1 . 2]" 1
1681 1 75 ILE HA 1 113 VAL MG2 3.970 . 6.150 4.769 4.246 5.269 . 0 0 "[ . 1 . 2]" 1
1682 1 10 THR HG1 1 113 VAL MG1 4.410 . 7.020 3.901 2.585 4.798 . 0 0 "[ . 1 . 2]" 1
1683 1 70 VAL HB 1 113 VAL MG2 3.580 . 5.360 2.691 1.999 3.607 . 0 0 "[ . 1 . 2]" 1
1684 1 113 VAL MG1 1 114 LYS HB3 4.140 . 6.480 5.367 5.221 5.548 . 0 0 "[ . 1 . 2]" 1
1685 1 75 ILE MD 1 113 VAL MG2 3.800 . 5.810 3.362 2.442 4.101 . 0 0 "[ . 1 . 2]" 1
1686 1 58 ALA MB 1 113 VAL MG2 4.180 . 6.560 3.355 2.820 4.192 . 0 0 "[ . 1 . 2]" 1
1687 1 110 LEU MD2 1 113 VAL MG2 4.920 . 8.040 3.627 3.206 4.001 . 0 0 "[ . 1 . 2]" 1
1688 1 113 VAL MG1 1 117 ILE MD 3.510 . 5.230 2.111 1.887 2.360 . 0 0 "[ . 1 . 2]" 1
1689 1 6 LEU MD2 1 113 VAL MG1 4.340 . 6.890 3.618 2.628 4.570 . 0 0 "[ . 1 . 2]" 1
1690 1 110 LEU MD2 1 113 VAL MG1 4.920 . 8.040 4.358 4.047 4.644 . 0 0 "[ . 1 . 2]" 1
1691 1 110 LEU MD2 1 113 VAL HB 4.410 . 7.020 3.879 3.642 4.121 . 0 0 "[ . 1 . 2]" 1
1692 1 10 THR MG 1 114 LYS HA 4.210 . 6.620 3.118 2.533 3.795 . 0 0 "[ . 1 . 2]" 1
1693 1 7 LEU MD1 1 114 LYS QE 3.750 . 5.700 3.546 1.791 5.068 0.009 17 0 "[ . 1 . 2]" 1
1694 1 14 ILE MD 1 114 LYS QE 4.000 . 6.210 3.808 2.382 4.726 . 0 0 "[ . 1 . 2]" 1
1695 1 7 LEU MD1 1 114 LYS HG3 3.540 . 5.290 2.947 1.816 4.361 . 0 0 "[ . 1 . 2]" 1
1696 1 14 ILE MD 1 114 LYS HG3 3.890 . 5.980 3.513 2.228 5.557 . 0 0 "[ . 1 . 2]" 1
1697 1 10 THR MG 1 114 LYS QD 4.290 . 6.790 4.263 3.261 5.096 . 0 0 "[ . 1 . 2]" 1
1698 1 10 THR MG 1 114 LYS HG2 3.780 . 5.760 4.292 3.058 5.356 . 0 0 "[ . 1 . 2]" 1
1699 1 7 LEU MD1 1 114 LYS HG2 3.540 . 5.290 2.960 1.843 4.311 . 0 0 "[ . 1 . 2]" 1
1700 1 7 LEU MD1 1 114 LYS HB2 3.650 . 5.510 3.994 3.184 4.927 . 0 0 "[ . 1 . 2]" 1
1701 1 14 ILE MD 1 114 LYS QD 4.630 . 7.470 3.464 1.995 4.854 . 0 0 "[ . 1 . 2]" 1
1702 1 10 THR H 1 117 ILE MG 4.410 . 7.020 5.943 4.952 6.668 . 0 0 "[ . 1 . 2]" 1
1703 1 10 THR H 1 117 ILE MD 4.170 . 6.550 4.417 3.944 5.340 . 0 0 "[ . 1 . 2]" 1
1704 1 114 LYS HA 1 117 ILE MG 3.380 . 4.970 4.243 3.840 4.698 . 0 0 "[ . 1 . 2]" 1
1705 1 7 LEU HA 1 117 ILE MG 3.790 . 5.790 3.114 2.513 3.970 . 0 0 "[ . 1 . 2]" 1
1706 1 114 LYS HA 1 117 ILE MD 3.200 . 4.610 2.604 2.031 3.538 . 0 0 "[ . 1 . 2]" 1
1707 1 7 LEU HA 1 117 ILE MD 3.170 . 4.540 2.623 1.948 3.639 . 0 0 "[ . 1 . 2]" 1
1708 1 10 THR HB 1 117 ILE MD 4.260 . 6.730 3.492 3.060 4.322 . 0 0 "[ . 1 . 2]" 1
1709 1 10 THR HG1 1 117 ILE MD 4.320 . 6.840 2.824 2.116 4.359 . 0 0 "[ . 1 . 2]" 1
1710 1 117 ILE MG 1 118 ALA MB 4.210 . 6.630 3.777 3.497 4.064 . 0 0 "[ . 1 . 2]" 1
1711 1 114 LYS HB2 1 117 ILE MD 3.560 . 5.330 4.397 3.846 5.341 0.011 7 0 "[ . 1 . 2]" 1
1712 1 6 LEU HG 1 117 ILE MD 3.040 . 4.280 2.325 1.832 2.809 . 0 0 "[ . 1 . 2]" 1
1713 1 6 LEU HG 1 117 ILE MG 3.290 . 4.790 3.882 2.800 4.793 0.003 18 0 "[ . 1 . 2]" 1
1714 1 117 ILE H 1 118 ALA MB 4.410 . 7.020 4.458 4.367 4.571 . 0 0 "[ . 1 . 2]" 1
1715 1 117 ILE MG 1 118 ALA HA 3.380 . 4.970 3.336 3.205 3.529 . 0 0 "[ . 1 . 2]" 1
1716 1 7 LEU MD1 1 118 ALA MB 4.570 . 7.350 3.602 2.689 4.511 . 0 0 "[ . 1 . 2]" 1
1717 1 62 ILE MD 1 71 HIS HA 3.710 . 5.620 4.715 3.094 5.646 0.026 1 0 "[ . 1 . 2]" 1
1718 1 16 VAL MG2 1 47 ASN HD22 3.560 . 5.330 3.267 2.414 4.062 . 0 0 "[ . 1 . 2]" 1
1719 1 6 LEU MD1 1 58 ALA MB 4.480 . 7.170 3.982 3.061 5.196 . 0 0 "[ . 1 . 2]" 1
1720 1 6 LEU MD1 1 57 GLY HA2 3.520 . 5.250 3.626 2.879 4.422 . 0 0 "[ . 1 . 2]" 1
1721 1 6 LEU MD1 1 58 ALA HA 3.810 . 5.830 4.104 3.350 5.212 . 0 0 "[ . 1 . 2]" 1
1722 1 6 LEU MD1 1 57 GLY HA3 3.090 . 4.390 2.443 1.820 3.260 . 0 0 "[ . 1 . 2]" 1
1723 1 6 LEU HA 1 6 LEU MD1 3.110 . 4.430 2.064 1.984 2.163 . 0 0 "[ . 1 . 2]" 1
1724 1 6 LEU MD1 1 10 THR HG1 4.410 . 7.020 3.857 3.246 4.989 . 0 0 "[ . 1 . 2]" 1
1725 1 6 LEU MD1 1 10 THR H 4.300 . 6.800 4.481 3.766 5.301 . 0 0 "[ . 1 . 2]" 1
1726 1 6 LEU MD1 1 7 LEU H 4.410 . 7.020 4.598 4.257 4.811 . 0 0 "[ . 1 . 2]" 1
1727 1 13 MET ME 1 51 ALA H 4.410 . 7.020 3.863 3.164 5.094 . 0 0 "[ . 1 . 2]" 1
1728 1 16 VAL MG2 1 82 PHE QE 5.470 . 9.150 3.913 3.312 4.327 . 0 0 "[ . 1 . 2]" 1
1729 1 21 ALA MB 1 22 ASP QB 4.850 . 7.900 3.839 3.631 4.174 . 0 0 "[ . 1 . 2]" 1
1730 1 40 ILE MD 1 90 TYR H 4.410 . 7.020 5.130 3.800 6.419 . 0 0 "[ . 1 . 2]" 1
1731 1 40 ILE MG 1 87 LEU MD1 4.070 . 6.350 3.252 2.196 5.443 . 0 0 "[ . 1 . 2]" 1
1732 1 40 ILE MD 1 87 LEU MD1 4.400 . 7.000 4.101 2.375 5.882 . 0 0 "[ . 1 . 2]" 1
1733 1 40 ILE MG 1 44 VAL MG2 4.110 . 6.420 2.354 1.799 3.132 0.001 3 0 "[ . 1 . 2]" 1
1734 1 58 ALA HA 1 61 LEU MD2 4.100 . 6.410 3.541 3.008 5.022 . 0 0 "[ . 1 . 2]" 1
1735 1 17 ALA MB 1 107 LEU HG 3.650 . 5.510 3.132 2.689 4.354 . 0 0 "[ . 1 . 2]" 1
1736 1 17 ALA MB 1 106 VAL MG1 4.390 . 6.990 2.894 2.434 3.322 . 0 0 "[ . 1 . 2]" 1
1737 1 40 ILE MG 1 44 VAL MG1 4.900 . 8.000 4.068 3.289 5.051 . 0 0 "[ . 1 . 2]" 1
1738 1 54 TRP HZ2 1 109 THR MG 3.870 . 5.940 3.771 2.682 4.631 . 0 0 "[ . 1 . 2]" 1
1739 1 10 THR MG 1 54 TRP HH2 4.330 . 6.870 5.072 4.513 5.918 . 0 0 "[ . 1 . 2]" 1
1740 1 10 THR MG 1 54 TRP HZ2 4.260 . 6.730 3.122 2.564 3.968 . 0 0 "[ . 1 . 2]" 1
1741 1 54 TRP HH2 1 109 THR MG 3.690 . 5.580 2.521 1.797 3.406 0.003 13 0 "[ . 1 . 2]" 1
1742 1 58 ALA MB 1 70 VAL MG1 4.920 . 8.040 4.073 3.412 4.674 . 0 0 "[ . 1 . 2]" 1
1743 1 62 ILE MG 1 71 HIS HA 4.410 . 7.020 4.682 3.092 5.931 . 0 0 "[ . 1 . 2]" 1
1744 1 59 LEU HB2 1 62 ILE MD 3.990 . 6.190 4.720 4.465 4.863 . 0 0 "[ . 1 . 2]" 1
1745 1 62 ILE MG 1 113 VAL MG1 4.740 . 7.680 4.623 3.604 5.417 . 0 0 "[ . 1 . 2]" 1
1746 1 6 LEU MD2 1 58 ALA H 4.410 . 7.020 4.400 3.115 5.762 . 0 0 "[ . 1 . 2]" 1
1747 1 6 LEU MD1 1 58 ALA H 3.720 . 5.650 3.660 2.993 4.463 . 0 0 "[ . 1 . 2]" 1
1748 1 108 TYR QD 1 112 ALA MB 5.470 . 9.150 4.243 3.867 4.674 . 0 0 "[ . 1 . 2]" 1
1749 1 70 VAL MG2 1 109 THR MG 3.870 . 5.950 1.975 1.746 2.526 0.044 17 0 "[ . 1 . 2]" 1
1750 1 70 VAL MG1 1 109 THR MG 4.270 . 6.740 4.049 3.181 4.796 . 0 0 "[ . 1 . 2]" 1
1751 1 75 ILE MG 1 113 VAL MG2 4.920 . 8.040 4.319 3.663 5.140 . 0 0 "[ . 1 . 2]" 1
1752 1 55 ALA H 1 75 ILE MG 4.390 . 6.980 4.537 4.138 5.074 . 0 0 "[ . 1 . 2]" 1
1753 1 40 ILE MD 1 87 LEU HA 4.410 . 7.020 5.027 2.656 7.053 0.033 18 0 "[ . 1 . 2]" 1
1754 1 77 ALA MB 1 80 ASP H 4.170 . 6.550 4.751 4.607 4.870 . 0 0 "[ . 1 . 2]" 1
1755 1 82 PHE HA 1 85 LEU MD2 3.900 . 6.010 4.315 3.852 4.808 . 0 0 "[ . 1 . 2]" 1
1756 1 85 LEU MD2 1 103 THR HB 4.410 . 7.020 5.474 4.656 6.418 . 0 0 "[ . 1 . 2]" 1
1757 1 17 ALA HA 1 85 LEU MD1 3.350 . 4.900 3.424 2.643 4.010 . 0 0 "[ . 1 . 2]" 1
1758 1 85 LEU MD1 1 103 THR HB 4.410 . 7.020 4.060 3.789 4.565 . 0 0 "[ . 1 . 2]" 1
1759 1 93 HIS QB 1 94 ILE MD 4.850 . 7.900 5.316 4.282 6.205 . 0 0 "[ . 1 . 2]" 1
1760 1 94 ILE MG 1 99 PHE HB2 3.610 . 5.430 3.589 2.043 5.178 . 0 0 "[ . 1 . 2]" 1
1761 1 94 ILE MD 1 99 PHE HB2 3.360 . 4.930 2.531 1.774 3.698 0.016 18 0 "[ . 1 . 2]" 1
1762 1 85 LEU MD2 1 102 ILE MG 4.470 . 7.140 4.279 3.927 5.041 . 0 0 "[ . 1 . 2]" 1
1763 1 102 ILE MG 1 106 VAL MG2 4.470 . 7.140 2.518 2.325 2.675 . 0 0 "[ . 1 . 2]" 1
1764 1 102 ILE MG 1 106 VAL MG1 4.920 . 8.040 4.512 4.194 4.781 . 0 0 "[ . 1 . 2]" 1
1765 1 75 ILE MD 1 113 VAL MG1 4.500 . 7.210 4.234 3.382 5.099 . 0 0 "[ . 1 . 2]" 1
1766 1 6 LEU MD2 1 113 VAL MG2 4.920 . 8.040 5.524 4.318 6.610 . 0 0 "[ . 1 . 2]" 1
1767 1 78 VAL MG2 1 109 THR MG 3.490 . 5.190 2.057 1.795 2.388 . 0 0 "[ . 1 . 2]" 1
1768 1 56 GLU HA 1 59 LEU MD2 3.900 . 6.010 5.064 4.564 5.479 . 0 0 "[ . 1 . 2]" 1
1769 1 13 MET ME 1 50 LEU HB3 3.690 . 5.580 3.548 2.244 4.359 . 0 0 "[ . 1 . 2]" 1
1770 1 13 MET ME 1 50 LEU HG 3.580 . 5.360 3.355 2.445 4.864 . 0 0 "[ . 1 . 2]" 1
1771 1 13 MET ME 1 51 ALA MB 3.870 . 5.950 2.858 2.448 4.093 . 0 0 "[ . 1 . 2]" 1
1772 1 13 MET ME 1 50 LEU MD2 4.500 . 7.210 3.011 2.462 3.956 . 0 0 "[ . 1 . 2]" 1
1773 1 54 TRP HZ2 1 75 ILE MD 4.410 . 7.020 5.259 3.334 6.073 . 0 0 "[ . 1 . 2]" 1
1774 1 7 LEU HG 1 117 ILE MD 4.410 . 7.020 4.795 4.029 5.686 . 0 0 "[ . 1 . 2]" 1
1775 1 106 VAL MG1 1 110 LEU HG 3.080 . 4.360 2.446 2.107 2.630 . 0 0 "[ . 1 . 2]" 1
1776 1 106 VAL MG1 1 110 LEU MD2 4.720 . 7.640 3.024 2.815 3.226 . 0 0 "[ . 1 . 2]" 1
1777 1 6 LEU MD2 1 58 ALA MB 4.920 . 8.040 4.111 2.656 5.271 . 0 0 "[ . 1 . 2]" 1
1778 1 6 LEU MD2 1 9 MET ME 4.920 . 8.040 4.396 3.885 5.144 . 0 0 "[ . 1 . 2]" 1
1779 1 7 LEU MD1 1 114 LYS QD 3.730 . 5.670 3.281 2.118 4.361 . 0 0 "[ . 1 . 2]" 1
1780 1 7 LEU MD2 1 114 LYS QD 4.850 . 7.900 4.441 2.407 5.673 . 0 0 "[ . 1 . 2]" 1
1781 1 46 GLU QG 1 50 LEU MD2 4.850 . 7.900 5.148 2.819 6.027 . 0 0 "[ . 1 . 2]" 1
1782 1 82 PHE QD 1 106 VAL MG1 4.250 . 6.700 2.345 1.912 3.181 . 0 0 "[ . 1 . 2]" 1
1783 1 13 MET HA 1 50 LEU MD1 4.410 . 7.020 5.309 4.384 6.537 . 0 0 "[ . 1 . 2]" 1
1784 1 13 MET HA 1 50 LEU MD2 4.150 . 6.510 3.051 2.390 3.944 . 0 0 "[ . 1 . 2]" 1
1785 1 59 LEU H 1 75 ILE MG 3.610 . 5.430 3.582 3.041 4.244 . 0 0 "[ . 1 . 2]" 1
1786 1 59 LEU H 1 75 ILE MD 4.410 . 7.020 4.110 2.919 5.752 . 0 0 "[ . 1 . 2]" 1
1787 1 7 LEU MD1 1 114 LYS HB3 3.430 . 5.070 4.680 3.933 5.115 0.045 19 0 "[ . 1 . 2]" 1
1788 1 36 PHE HA 1 40 ILE MG 4.350 . 6.910 3.697 2.522 4.607 . 0 0 "[ . 1 . 2]" 1
1789 1 36 PHE HA 1 40 ILE MD 3.600 . 5.400 2.386 1.748 4.357 0.052 12 0 "[ . 1 . 2]" 1
1790 1 40 ILE MG 1 41 LYS HA 4.410 . 7.020 3.777 3.196 4.245 . 0 0 "[ . 1 . 2]" 1
1791 1 34 TYR HA 1 40 ILE MD 4.410 . 7.020 5.334 3.283 6.894 . 0 0 "[ . 1 . 2]" 1
1792 1 40 ILE MG 1 90 TYR QD 5.220 . 8.640 3.831 3.009 5.414 . 0 0 "[ . 1 . 2]" 1
1793 1 40 ILE MD 1 91 VAL MG1 4.320 . 6.850 3.798 2.649 5.837 . 0 0 "[ . 1 . 2]" 1
1794 1 40 ILE MD 1 90 TYR QD 5.270 . 8.750 3.150 2.409 3.847 . 0 0 "[ . 1 . 2]" 1
1795 1 21 ALA MB 1 24 TYR QD 5.470 . 9.150 4.791 3.755 5.510 . 0 0 "[ . 1 . 2]" 1
1796 1 36 PHE QD 1 91 VAL MG1 5.470 . 9.150 4.324 2.712 5.550 . 0 0 "[ . 1 . 2]" 1
1797 1 36 PHE QE 1 91 VAL MG1 5.380 . 8.970 3.967 1.917 5.572 . 0 0 "[ . 1 . 2]" 1
1798 1 36 PHE QE 1 40 ILE MD 5.470 . 9.150 4.180 3.025 5.752 . 0 0 "[ . 1 . 2]" 1
1799 1 36 PHE HZ 1 91 VAL MG1 4.410 . 7.020 5.249 2.071 7.059 0.039 14 0 "[ . 1 . 2]" 1
1800 1 9 MET ME 1 54 TRP HD1 3.790 . 5.790 2.686 1.872 4.323 . 0 0 "[ . 1 . 2]" 1
1801 1 54 TRP HD1 1 113 VAL MG1 4.410 . 7.020 4.916 4.179 5.587 . 0 0 "[ . 1 . 2]" 1
1802 1 6 LEU MD1 1 54 TRP HD1 3.610 . 5.430 3.446 2.395 4.969 . 0 0 "[ . 1 . 2]" 1
1803 1 54 TRP HZ2 1 75 ILE MG 4.410 . 7.020 5.008 4.375 5.597 . 0 0 "[ . 1 . 2]" 1
1804 1 54 TRP HZ2 1 78 VAL MG1 4.410 . 7.020 4.664 3.938 5.376 . 0 0 "[ . 1 . 2]" 1
1805 1 54 TRP HH2 1 58 ALA MB 4.410 . 7.020 4.157 3.862 4.657 . 0 0 "[ . 1 . 2]" 1
1806 1 54 TRP HZ2 1 58 ALA MB 4.410 . 7.020 4.102 3.749 4.506 . 0 0 "[ . 1 . 2]" 1
1807 1 54 TRP HE3 1 75 ILE MG 4.410 . 7.020 3.385 3.021 3.713 . 0 0 "[ . 1 . 2]" 1
1808 1 13 MET ME 1 54 TRP HE3 4.410 . 7.020 3.240 2.827 3.699 . 0 0 "[ . 1 . 2]" 1
1809 1 69 TYR QD 1 112 ALA MB 5.020 . 8.250 3.528 2.352 4.427 . 0 0 "[ . 1 . 2]" 1
1810 1 69 TYR QD 1 70 VAL MG2 5.470 . 9.150 6.261 5.701 6.594 . 0 0 "[ . 1 . 2]" 1
1811 1 82 PHE QD 1 85 LEU MD2 5.470 . 9.150 4.388 3.693 5.068 . 0 0 "[ . 1 . 2]" 1
1812 1 34 TYR QD 1 40 ILE MD 5.470 . 9.150 4.396 2.725 5.914 . 0 0 "[ . 1 . 2]" 1
1813 1 34 TYR QE 1 39 THR MG 5.470 . 9.150 4.438 2.625 7.599 . 0 0 "[ . 1 . 2]" 1
1814 1 87 LEU MD2 1 93 HIS HD2 4.410 . 7.020 5.665 3.924 7.041 0.021 13 0 "[ . 1 . 2]" 1
1815 1 93 HIS HD2 1 94 ILE MD 4.410 . 7.020 5.098 3.917 6.411 . 0 0 "[ . 1 . 2]" 1
1816 1 108 TYR QE 1 112 ALA MB 5.470 . 9.150 4.277 3.811 4.748 . 0 0 "[ . 1 . 2]" 1
1817 1 107 LEU MD2 1 111 HIS HD2 4.160 . 6.520 4.106 3.034 5.756 . 0 0 "[ . 1 . 2]" 1
1818 1 107 LEU MD1 1 111 HIS HD2 4.320 . 6.840 4.647 2.790 5.780 . 0 0 "[ . 1 . 2]" 1
1819 1 14 ILE MD 1 111 HIS HD2 4.410 . 7.020 3.165 2.333 5.159 . 0 0 "[ . 1 . 2]" 1
1820 1 82 PHE QE 1 106 VAL MG1 5.470 . 9.150 3.644 2.766 4.651 . 0 0 "[ . 1 . 2]" 1
1821 1 82 PHE QE 1 85 LEU MD2 5.470 . 9.150 4.402 3.534 5.273 . 0 0 "[ . 1 . 2]" 1
1822 1 91 VAL MG2 1 93 HIS HD2 4.080 . 6.370 4.076 1.883 5.415 . 0 0 "[ . 1 . 2]" 1
1823 1 85 LEU MD1 1 99 PHE HZ 4.410 . 7.020 4.415 3.302 5.372 . 0 0 "[ . 1 . 2]" 1
1824 1 85 LEU MD1 1 99 PHE QE 5.470 . 9.150 4.119 3.432 5.010 . 0 0 "[ . 1 . 2]" 1
1825 1 6 LEU QB 1 117 ILE HB 4.340 . 6.880 5.483 4.693 6.566 . 0 0 "[ . 1 . 2]" 1
1826 1 6 LEU QB 1 117 ILE QG 4.780 . 7.760 4.009 3.168 5.314 . 0 0 "[ . 1 . 2]" 1
1827 1 6 LEU MD2 1 117 ILE QG 4.180 . 6.570 2.619 1.926 3.293 . 0 0 "[ . 1 . 2]" 1
1828 1 7 LEU QB 1 117 ILE MG 3.460 . 5.130 2.518 1.840 4.086 . 0 0 "[ . 1 . 2]" 1
1829 1 7 LEU QB 1 117 ILE MD 4.020 . 6.240 3.473 2.700 4.722 . 0 0 "[ . 1 . 2]" 1
1830 1 7 LEU MD1 1 11 GLU QG 3.270 . 4.740 2.731 1.857 3.354 . 0 0 "[ . 1 . 2]" 1
1831 1 7 LEU MD1 1 114 LYS QG 3.340 . 4.880 2.323 1.777 2.848 0.023 10 0 "[ . 1 . 2]" 1
1832 1 7 LEU MD2 1 11 GLU QG 4.120 . 6.440 3.575 2.740 4.735 . 0 0 "[ . 1 . 2]" 1
1833 1 8 GLU H 1 8 GLU QB 2.490 . 3.190 2.412 2.023 2.902 . 0 0 "[ . 1 . 2]" 1
1834 1 8 GLU H 1 8 GLU QG 2.930 . 4.060 2.877 1.767 3.950 0.033 5 0 "[ . 1 . 2]" 1
1835 1 8 GLU QG 1 9 MET H 3.540 . 5.280 3.537 1.781 4.499 0.019 6 0 "[ . 1 . 2]" 1
1836 1 9 MET H 1 9 MET QG 3.290 . 4.790 2.890 2.107 3.985 . 0 0 "[ . 1 . 2]" 1
1837 1 9 MET HA 1 12 GLN QB 3.020 . 4.240 2.789 2.367 3.206 . 0 0 "[ . 1 . 2]" 1
1838 1 9 MET QG 1 10 THR H 4.340 . 6.880 4.015 3.517 4.549 . 0 0 "[ . 1 . 2]" 1
1839 1 9 MET QG 1 50 LEU MD1 3.540 . 5.290 2.839 1.791 4.357 . 0 0 "[ . 1 . 2]" 1
1840 1 10 THR HA 1 13 MET QB 2.800 . 3.810 2.692 2.426 3.039 . 0 0 "[ . 1 . 2]" 1
1841 1 10 THR MG 1 13 MET QB 3.640 . 5.490 3.559 3.104 3.782 . 0 0 "[ . 1 . 2]" 1
1842 1 10 THR MG 1 114 LYS QG 3.470 . 5.140 3.546 2.684 4.213 . 0 0 "[ . 1 . 2]" 1
1843 1 11 GLU H 1 11 GLU QB 2.520 . 3.250 2.378 2.196 2.555 . 0 0 "[ . 1 . 2]" 1
1844 1 11 GLU QB 1 12 GLN H 2.760 . 3.720 2.513 2.365 2.730 . 0 0 "[ . 1 . 2]" 1
1845 1 11 GLU QB 1 14 ILE MD 4.380 . 6.960 4.303 3.615 5.793 . 0 0 "[ . 1 . 2]" 1
1846 1 11 GLU QG 1 12 GLN H 3.790 . 5.780 4.104 3.874 4.380 . 0 0 "[ . 1 . 2]" 1
1847 1 12 GLN H 1 12 GLN QB 2.400 . 3.010 2.216 2.025 2.262 . 0 0 "[ . 1 . 2]" 1
1848 1 12 GLN H 1 12 GLN QG 3.190 . 4.590 3.935 3.291 4.061 . 0 0 "[ . 1 . 2]" 1
1849 1 12 GLN HA 1 12 GLN QG 2.590 . 3.390 2.662 2.299 3.047 . 0 0 "[ . 1 . 2]" 1
1850 1 12 GLN HA 1 15 GLU QB 3.320 . 4.850 2.871 2.585 3.238 . 0 0 "[ . 1 . 2]" 1
1851 1 12 GLN QB 1 13 MET H 2.660 . 3.520 2.500 2.369 2.601 . 0 0 "[ . 1 . 2]" 1
1852 1 12 GLN QB 1 50 LEU MD2 3.430 . 5.070 2.779 1.898 3.718 . 0 0 "[ . 1 . 2]" 1
1853 1 12 GLN QG 1 13 MET H 3.360 . 4.920 3.667 3.191 4.436 . 0 0 "[ . 1 . 2]" 1
1854 1 12 GLN QG 1 16 VAL MG2 3.450 . 5.110 2.814 2.285 4.131 . 0 0 "[ . 1 . 2]" 1
1855 1 12 GLN QG 1 50 LEU MD2 3.110 . 4.420 2.684 2.134 3.503 . 0 0 "[ . 1 . 2]" 1
1856 1 12 GLN QE 1 15 GLU QG 4.770 . 7.750 5.662 4.176 7.749 . 0 0 "[ . 1 . 2]" 1
1857 1 12 GLN QE 1 16 VAL HA 4.330 . 6.860 5.674 4.364 6.879 0.019 15 0 "[ . 1 . 2]" 1
1858 1 12 GLN QE 1 16 VAL MG1 4.490 . 7.190 4.861 4.076 5.822 . 0 0 "[ . 1 . 2]" 1
1859 1 12 GLN QE 1 16 VAL MG2 3.720 . 5.640 2.890 2.074 3.873 . 0 0 "[ . 1 . 2]" 1
1860 1 12 GLN QE 1 50 LEU MD2 3.360 . 4.930 3.500 2.226 4.065 . 0 0 "[ . 1 . 2]" 1
1861 1 13 MET H 1 13 MET QB 2.550 . 3.300 2.302 2.230 2.440 . 0 0 "[ . 1 . 2]" 1
1862 1 13 MET QB 1 14 ILE H 2.800 . 3.800 2.627 2.483 2.721 . 0 0 "[ . 1 . 2]" 1
1863 1 13 MET ME 1 50 LEU QB 3.540 . 5.280 3.466 2.225 4.214 . 0 0 "[ . 1 . 2]" 1
1864 1 14 ILE MG 1 18 GLU QG 3.370 . 4.950 2.784 2.251 3.747 . 0 0 "[ . 1 . 2]" 1
1865 1 14 ILE MD 1 110 LEU QB 3.640 . 5.490 2.442 1.808 2.888 . 0 0 "[ . 1 . 2]" 1
1866 1 14 ILE MD 1 114 LYS QG 3.800 . 5.800 3.347 2.205 5.127 . 0 0 "[ . 1 . 2]" 1
1867 1 15 GLU H 1 15 GLU QB 2.390 . 2.980 2.236 2.188 2.281 . 0 0 "[ . 1 . 2]" 1
1868 1 15 GLU H 1 15 GLU QG 3.080 . 4.360 3.977 3.943 4.046 . 0 0 "[ . 1 . 2]" 1
1869 1 15 GLU QB 1 16 VAL H 2.690 . 3.580 2.540 2.378 2.742 . 0 0 "[ . 1 . 2]" 1
1870 1 15 GLU QB 1 16 VAL MG1 4.740 . 7.680 5.245 5.113 5.390 . 0 0 "[ . 1 . 2]" 1
1871 1 15 GLU QB 1 16 VAL MG2 3.700 . 5.600 3.209 3.048 3.440 . 0 0 "[ . 1 . 2]" 1
1872 1 15 GLU QB 1 17 ALA H 3.670 . 5.550 4.769 4.692 4.956 . 0 0 "[ . 1 . 2]" 1
1873 1 15 GLU QG 1 16 VAL H 3.480 . 5.160 3.732 3.456 3.959 . 0 0 "[ . 1 . 2]" 1
1874 1 15 GLU QG 1 19 LYS QG 4.240 . 6.680 3.143 2.334 4.523 . 0 0 "[ . 1 . 2]" 1
1875 1 15 GLU QG 1 19 LYS QD 3.560 . 5.330 2.795 1.723 4.728 0.067 4 0 "[ . 1 . 2]" 1
1876 1 15 GLU QG 1 19 LYS QE 3.940 . 6.090 3.244 1.856 4.729 . 0 0 "[ . 1 . 2]" 1
1877 1 16 VAL MG1 1 47 ASN QD 4.310 . 6.820 2.776 1.867 3.666 . 0 0 "[ . 1 . 2]" 1
1878 1 16 VAL MG2 1 47 ASN QD 3.440 . 5.080 3.168 2.336 3.947 . 0 0 "[ . 1 . 2]" 1
1879 1 17 ALA MB 1 18 GLU QG 4.580 . 7.360 3.487 3.142 4.649 . 0 0 "[ . 1 . 2]" 1
1880 1 18 GLU H 1 18 GLU QG 2.700 . 3.610 2.606 2.221 3.613 0.003 2 0 "[ . 1 . 2]" 1
1881 1 18 GLU HA 1 18 GLU QG 2.540 . 3.290 2.417 2.126 2.807 . 0 0 "[ . 1 . 2]" 1
1882 1 18 GLU QG 1 19 LYS H 3.720 . 5.650 4.207 3.992 4.500 . 0 0 "[ . 1 . 2]" 1
1883 1 18 GLU QG 1 107 LEU MD1 3.540 . 5.290 2.832 2.008 3.703 . 0 0 "[ . 1 . 2]" 1
1884 1 18 GLU QG 1 107 LEU MD2 3.450 . 5.110 2.762 1.841 3.738 . 0 0 "[ . 1 . 2]" 1
1885 1 19 LYS HA 1 19 LYS QG 2.800 . 3.800 2.383 2.193 2.815 . 0 0 "[ . 1 . 2]" 1
1886 1 21 ALA HA 1 24 TYR QB 3.090 . 4.380 2.686 2.347 3.159 . 0 0 "[ . 1 . 2]" 1
1887 1 22 ASP HA 1 25 GLN QB 2.680 . 3.570 2.546 2.132 2.990 . 0 0 "[ . 1 . 2]" 1
1888 1 22 ASP QB 1 25 GLN QB 4.780 . 7.760 4.297 3.640 4.627 . 0 0 "[ . 1 . 2]" 1
1889 1 24 TYR H 1 24 TYR QB 2.710 . 3.630 2.237 2.147 2.292 . 0 0 "[ . 1 . 2]" 1
1890 1 24 TYR QB 1 25 GLN H 3.070 . 4.340 2.680 2.548 2.813 . 0 0 "[ . 1 . 2]" 1
1891 1 24 TYR QB 1 99 PHE QE 5.400 . 9.010 2.754 2.191 3.942 . 0 0 "[ . 1 . 2]" 1
1892 1 26 GLU H 1 26 GLU QG 4.340 . 6.880 3.153 2.199 4.058 . 0 0 "[ . 1 . 2]" 1
1893 1 26 GLU HA 1 26 GLU QG 2.740 . 3.690 2.608 2.254 2.965 . 0 0 "[ . 1 . 2]" 1
1894 1 38 GLU H 1 38 GLU QG 3.070 . 4.350 2.912 2.113 4.197 . 0 0 "[ . 1 . 2]" 1
1895 1 38 GLU HA 1 38 GLU QG 2.570 . 3.350 2.581 2.325 3.013 . 0 0 "[ . 1 . 2]" 1
1896 1 40 ILE H 1 40 ILE QG 3.540 . 5.290 2.490 1.979 3.252 . 0 0 "[ . 1 . 2]" 1
1897 1 40 ILE QG 1 41 LYS H 4.340 . 6.880 4.412 3.822 4.774 . 0 0 "[ . 1 . 2]" 1
1898 1 41 LYS H 1 42 PRO QD 3.800 . 5.810 2.071 1.753 2.586 0.037 13 0 "[ . 1 . 2]" 1
1899 1 41 LYS QB 1 42 PRO QD 4.250 . 6.710 1.782 1.713 1.900 0.077 3 0 "[ . 1 . 2]" 1
1900 1 43 ALA MB 1 47 ASN QD 3.780 . 5.770 3.310 2.498 4.345 . 0 0 "[ . 1 . 2]" 1
1901 1 45 GLU H 1 45 GLU QG 2.690 . 3.580 2.308 2.029 3.458 . 0 0 "[ . 1 . 2]" 1
1902 1 45 GLU HA 1 45 GLU QG 2.610 . 3.420 2.550 2.321 3.076 . 0 0 "[ . 1 . 2]" 1
1903 1 45 GLU HA 1 48 ASP QB 2.670 . 3.540 2.765 2.271 3.137 . 0 0 "[ . 1 . 2]" 1
1904 1 46 GLU HA 1 49 GLU QG 3.620 . 5.440 4.063 3.398 4.784 . 0 0 "[ . 1 . 2]" 1
1905 1 46 GLU QG 1 47 ASN QD 4.770 . 7.740 4.659 2.944 6.579 . 0 0 "[ . 1 . 2]" 1
1906 1 47 ASN H 1 47 ASN QD 3.410 . 5.030 2.869 2.091 4.193 . 0 0 "[ . 1 . 2]" 1
1907 1 47 ASN HA 1 50 LEU QB 3.450 . 5.110 2.172 1.964 2.521 . 0 0 "[ . 1 . 2]" 1
1908 1 47 ASN QD 1 86 VAL MG1 3.480 . 5.160 3.717 1.780 4.599 0.020 18 0 "[ . 1 . 2]" 1
1909 1 47 ASN QD 1 86 VAL MG2 3.740 . 5.680 3.390 2.144 4.253 . 0 0 "[ . 1 . 2]" 1
1910 1 48 ASP H 1 49 GLU QG 4.340 . 6.880 4.665 4.267 5.515 . 0 0 "[ . 1 . 2]" 1
1911 1 48 ASP QB 1 49 GLU H 2.780 . 3.770 2.338 2.223 2.476 . 0 0 "[ . 1 . 2]" 1
1912 1 48 ASP QB 1 83 LEU MD1 3.730 . 5.670 3.645 2.159 4.403 . 0 0 "[ . 1 . 2]" 1
1913 1 49 GLU HA 1 49 GLU QG 2.560 . 3.330 2.506 2.041 2.824 . 0 0 "[ . 1 . 2]" 1
1914 1 49 GLU QG 1 50 LEU H 3.680 . 5.570 4.092 3.874 4.325 . 0 0 "[ . 1 . 2]" 1
1915 1 49 GLU QG 1 52 ALA MB 3.820 . 5.850 4.315 3.584 4.953 . 0 0 "[ . 1 . 2]" 1
1916 1 50 LEU H 1 50 LEU QB 2.400 . 3.010 2.124 2.016 2.199 . 0 0 "[ . 1 . 2]" 1
1917 1 50 LEU HA 1 53 ARG QB 2.840 . 3.890 3.143 2.619 3.588 . 0 0 "[ . 1 . 2]" 1
1918 1 51 ALA HA 1 54 TRP QB 3.030 . 4.260 2.482 2.121 2.925 . 0 0 "[ . 1 . 2]" 1
1919 1 51 ALA MB 1 54 TRP QB 4.110 . 6.420 3.857 3.504 4.287 . 0 0 "[ . 1 . 2]" 1
1920 1 52 ALA H 1 54 TRP QB 3.850 . 5.910 4.710 4.416 4.962 . 0 0 "[ . 1 . 2]" 1
1921 1 53 ARG H 1 53 ARG QB 2.380 . 2.960 2.067 1.980 2.178 . 0 0 "[ . 1 . 2]" 1
1922 1 53 ARG H 1 53 ARG QG 2.890 . 3.990 3.405 2.488 3.913 . 0 0 "[ . 1 . 2]" 1
1923 1 53 ARG HA 1 56 GLU QB 2.790 . 3.780 2.504 2.294 2.823 . 0 0 "[ . 1 . 2]" 1
1924 1 53 ARG QB 1 54 TRP H 2.770 . 3.750 2.683 2.441 2.883 . 0 0 "[ . 1 . 2]" 1
1925 1 53 ARG QG 1 54 TRP H 3.650 . 5.500 4.421 3.685 4.622 . 0 0 "[ . 1 . 2]" 1
1926 1 54 TRP QB 1 55 ALA H 2.860 . 3.920 2.428 2.308 2.539 . 0 0 "[ . 1 . 2]" 1
1927 1 54 TRP HH2 1 75 ILE QG 4.090 . 6.380 3.565 2.723 4.677 . 0 0 "[ . 1 . 2]" 1
1928 1 55 ALA H 1 56 GLU QB 3.830 . 5.870 4.425 4.273 4.572 . 0 0 "[ . 1 . 2]" 1
1929 1 55 ALA MB 1 56 GLU QB 4.430 . 7.070 3.956 3.642 4.220 . 0 0 "[ . 1 . 2]" 1
1930 1 55 ALA MB 1 56 GLU QG 4.590 . 7.390 4.036 3.207 5.174 . 0 0 "[ . 1 . 2]" 1
1931 1 55 ALA MB 1 79 LYS QB 4.650 . 7.500 2.842 2.161 3.572 . 0 0 "[ . 1 . 2]" 1
1932 1 56 GLU H 1 56 GLU QB 2.400 . 3.000 2.155 1.979 2.318 . 0 0 "[ . 1 . 2]" 1
1933 1 56 GLU H 1 56 GLU QG 2.800 . 3.810 3.011 2.232 3.815 0.005 10 0 "[ . 1 . 2]" 1
1934 1 56 GLU QB 1 57 GLY H 2.740 . 3.680 2.512 2.336 2.686 . 0 0 "[ . 1 . 2]" 1
1935 1 56 GLU QB 1 59 LEU MD1 4.850 . 7.900 4.487 3.760 5.115 . 0 0 "[ . 1 . 2]" 1
1936 1 56 GLU QG 1 59 LEU MD1 4.280 . 6.770 3.958 3.071 4.600 . 0 0 "[ . 1 . 2]" 1
1937 1 57 GLY HA2 1 60 GLU QB 3.310 . 4.820 2.657 2.481 2.855 . 0 0 "[ . 1 . 2]" 1
1938 1 57 GLY HA3 1 60 GLU QB 3.250 . 4.710 4.029 3.850 4.204 . 0 0 "[ . 1 . 2]" 1
1939 1 58 ALA H 1 75 ILE QG 4.340 . 6.880 5.978 4.783 6.898 0.018 12 0 "[ . 1 . 2]" 1
1940 1 58 ALA HA 1 61 LEU QB 3.000 . 4.210 2.712 2.122 3.134 . 0 0 "[ . 1 . 2]" 1
1941 1 58 ALA HA 1 117 ILE QG 3.920 . 6.050 5.416 4.535 6.091 0.041 18 0 "[ . 1 . 2]" 1
1942 1 58 ALA MB 1 75 ILE QG 3.910 . 6.030 2.968 2.032 3.669 . 0 0 "[ . 1 . 2]" 1
1943 1 58 ALA MB 1 117 ILE QG 4.850 . 7.900 5.470 4.667 6.167 . 0 0 "[ . 1 . 2]" 1
1944 1 59 LEU H 1 60 GLU QB 3.830 . 5.870 4.365 4.312 4.448 . 0 0 "[ . 1 . 2]" 1
1945 1 59 LEU MD1 1 72 LYS QB 4.760 . 7.720 5.543 4.028 6.957 . 0 0 "[ . 1 . 2]" 1
1946 1 59 LEU MD1 1 76 GLU QG 3.250 . 4.710 3.680 1.861 4.271 . 0 0 "[ . 1 . 2]" 1
1947 1 59 LEU MD2 1 76 GLU QG 4.340 . 6.890 3.314 2.139 3.794 . 0 0 "[ . 1 . 2]" 1
1948 1 60 GLU H 1 60 GLU QB 2.330 . 2.870 2.217 2.153 2.244 . 0 0 "[ . 1 . 2]" 1
1949 1 60 GLU HA 1 63 LYS QG 3.790 . 5.790 3.490 2.083 4.789 . 0 0 "[ . 1 . 2]" 1
1950 1 60 GLU QB 1 61 LEU H 2.710 . 3.630 2.432 2.261 2.581 . 0 0 "[ . 1 . 2]" 1
1951 1 60 GLU QG 1 63 LYS QD 4.490 . 7.190 4.292 2.730 5.802 . 0 0 "[ . 1 . 2]" 1
1952 1 61 LEU H 1 61 LEU QB 2.740 . 3.690 2.199 2.130 2.241 . 0 0 "[ . 1 . 2]" 1
1953 1 61 LEU QB 1 62 ILE H 2.730 . 3.670 2.569 2.390 2.797 . 0 0 "[ . 1 . 2]" 1
1954 1 62 ILE MG 1 67 PRO QD 4.470 . 7.150 3.605 2.848 4.444 . 0 0 "[ . 1 . 2]" 1
1955 1 62 ILE MG 1 72 LYS QB 4.000 . 6.200 4.383 2.963 5.423 . 0 0 "[ . 1 . 2]" 1
1956 1 63 LYS H 1 63 LYS QD 3.510 . 5.230 3.954 2.937 4.384 . 0 0 "[ . 1 . 2]" 1
1957 1 63 LYS HA 1 63 LYS QD 3.530 . 5.260 3.803 3.219 4.318 . 0 0 "[ . 1 . 2]" 1
1958 1 63 LYS QG 1 64 VAL H 3.620 . 5.450 3.379 2.365 4.246 . 0 0 "[ . 1 . 2]" 1
1959 1 63 LYS QD 1 64 VAL H 3.800 . 5.810 3.438 2.311 4.678 . 0 0 "[ . 1 . 2]" 1
1960 1 63 LYS QD 1 64 VAL HB 4.090 . 6.380 4.838 3.753 6.332 . 0 0 "[ . 1 . 2]" 1
1961 1 63 LYS QD 1 64 VAL MG1 3.820 . 5.850 4.725 3.968 5.954 0.104 10 0 "[ . 1 . 2]" 1
1962 1 68 LYS HA 1 68 LYS QG 2.790 . 3.780 2.599 2.249 3.475 . 0 0 "[ . 1 . 2]" 1
1963 1 68 LYS HA 1 68 LYS QD 3.570 . 5.350 3.517 2.032 4.221 . 0 0 "[ . 1 . 2]" 1
1964 1 68 LYS QB 1 68 LYS QD 2.590 . 3.390 2.293 2.086 2.810 . 0 0 "[ . 1 . 2]" 1
1965 1 68 LYS QB 1 68 LYS QE 3.400 . 5.010 3.209 1.783 3.839 0.007 6 0 "[ . 1 . 2]" 1
1966 1 68 LYS QB 1 70 VAL H 4.000 . 6.200 4.446 4.003 5.234 . 0 0 "[ . 1 . 2]" 1
1967 1 68 LYS QG 1 70 VAL H 4.340 . 6.880 5.509 4.010 6.610 . 0 0 "[ . 1 . 2]" 1
1968 1 68 LYS QD 1 116 GLU HA 4.050 . 6.300 4.909 3.093 6.341 0.041 17 0 "[ . 1 . 2]" 1
1969 1 69 TYR QD 1 116 GLU QB 5.400 . 9.010 4.093 1.788 5.207 0.002 9 0 "[ . 1 . 2]" 1
1970 1 69 TYR QE 1 115 ASP QB 5.400 . 9.010 3.828 2.122 5.726 . 0 0 "[ . 1 . 2]" 1
1971 1 69 TYR QE 1 116 GLU QB 5.400 . 9.010 4.954 2.160 6.659 . 0 0 "[ . 1 . 2]" 1
1972 1 69 TYR QE 1 119 ARG QG 5.400 . 9.010 5.191 3.304 7.127 . 0 0 "[ . 1 . 2]" 1
1973 1 70 VAL MG1 1 75 ILE QG 3.710 . 5.630 3.502 2.763 4.282 . 0 0 "[ . 1 . 2]" 1
1974 1 70 VAL MG1 1 116 GLU QB 3.840 . 5.880 4.007 3.175 5.443 . 0 0 "[ . 1 . 2]" 1
1975 1 71 HIS H 1 74 GLN QG 4.340 . 6.880 3.039 2.229 4.271 . 0 0 "[ . 1 . 2]" 1
1976 1 71 HIS HD2 1 73 GLU QB 3.870 . 5.940 4.539 1.713 6.036 0.095 18 0 "[ . 1 . 2]" 1
1977 1 71 HIS HD2 1 74 GLN QG 4.230 . 6.660 4.763 2.556 6.267 . 0 0 "[ . 1 . 2]" 1
1978 1 72 LYS QB 1 73 GLU H 2.960 . 4.120 2.890 2.197 3.589 . 0 0 "[ . 1 . 2]" 1
1979 1 72 LYS QG 1 76 GLU QG 4.200 . 6.600 3.834 2.161 5.469 . 0 0 "[ . 1 . 2]" 1
1980 1 73 GLU H 1 73 GLU QB 2.800 . 3.800 2.422 2.191 2.709 . 0 0 "[ . 1 . 2]" 1
1981 1 73 GLU H 1 73 GLU QG 3.580 . 5.360 2.838 1.852 3.966 . 0 0 "[ . 1 . 2]" 1
1982 1 73 GLU HA 1 73 GLU QG 2.610 . 3.420 2.529 2.371 2.806 . 0 0 "[ . 1 . 2]" 1
1983 1 73 GLU HA 1 76 GLU QG 3.610 . 5.420 3.543 2.343 4.334 . 0 0 "[ . 1 . 2]" 1
1984 1 73 GLU QB 1 74 GLN H 2.790 . 3.790 2.638 2.320 2.899 . 0 0 "[ . 1 . 2]" 1
1985 1 74 GLN H 1 74 GLN QG 3.120 . 4.440 2.486 1.967 3.934 . 0 0 "[ . 1 . 2]" 1
1986 1 74 GLN H 1 74 GLN QE 4.330 . 6.860 4.685 3.639 5.137 . 0 0 "[ . 1 . 2]" 1
1987 1 74 GLN HA 1 74 GLN QG 2.880 . 3.970 2.714 2.282 3.023 . 0 0 "[ . 1 . 2]" 1
1988 1 74 GLN QG 1 75 ILE H 3.810 . 5.820 4.143 3.762 4.386 . 0 0 "[ . 1 . 2]" 1
1989 1 74 GLN QG 1 77 ALA MB 4.560 . 7.320 4.464 3.496 5.490 . 0 0 "[ . 1 . 2]" 1
1990 1 74 GLN QE 1 78 VAL MG2 4.840 . 7.880 4.826 3.328 5.951 . 0 0 "[ . 1 . 2]" 1
1991 1 75 ILE H 1 75 ILE QG 2.960 . 4.130 2.129 1.925 3.218 . 0 0 "[ . 1 . 2]" 1
1992 1 75 ILE MG 1 76 GLU QG 4.670 . 7.540 3.606 3.107 4.259 . 0 0 "[ . 1 . 2]" 1
1993 1 75 ILE QG 1 76 GLU H 3.660 . 5.530 4.016 3.824 4.471 . 0 0 "[ . 1 . 2]" 1
1994 1 75 ILE QG 1 113 VAL MG1 3.700 . 5.600 4.744 3.602 5.268 . 0 0 "[ . 1 . 2]" 1
1995 1 75 ILE QG 1 113 VAL MG2 3.050 . 4.300 3.437 2.720 4.342 0.042 9 0 "[ . 1 . 2]" 1
1996 1 76 GLU H 1 76 GLU QG 2.790 . 3.790 2.227 1.942 2.547 . 0 0 "[ . 1 . 2]" 1
1997 1 76 GLU HA 1 76 GLU QG 2.560 . 3.330 2.539 2.350 3.049 . 0 0 "[ . 1 . 2]" 1
1998 1 76 GLU QG 1 77 ALA H 3.310 . 4.830 4.045 3.806 4.264 . 0 0 "[ . 1 . 2]" 1
1999 1 77 ALA MB 1 81 ASN QD 4.060 . 6.330 2.698 2.222 3.974 . 0 0 "[ . 1 . 2]" 1
2000 1 78 VAL HA 1 81 ASN QB 2.710 . 3.630 2.349 2.084 2.543 . 0 0 "[ . 1 . 2]" 1
2001 1 78 VAL MG1 1 79 LYS QB 4.850 . 7.900 4.263 4.058 4.446 . 0 0 "[ . 1 . 2]" 1
2002 1 78 VAL MG1 1 81 ASN QD 4.010 . 6.230 4.935 3.918 5.444 . 0 0 "[ . 1 . 2]" 1
2003 1 78 VAL MG2 1 81 ASN QD 4.330 . 6.870 4.074 2.813 4.734 . 0 0 "[ . 1 . 2]" 1
2004 1 79 LYS H 1 79 LYS QG 3.310 . 4.820 3.980 3.928 4.031 . 0 0 "[ . 1 . 2]" 1
2005 1 79 LYS QB 1 79 LYS QE 4.000 . 6.210 3.409 1.888 3.662 . 0 0 "[ . 1 . 2]" 1
2006 1 79 LYS QB 1 80 ASP H 2.610 . 3.430 2.430 2.344 2.546 . 0 0 "[ . 1 . 2]" 1
2007 1 79 LYS QG 1 80 ASP H 3.700 . 5.600 3.612 2.891 4.223 . 0 0 "[ . 1 . 2]" 1
2008 1 79 LYS QG 1 83 LEU MD1 3.710 . 5.630 3.414 2.452 5.385 . 0 0 "[ . 1 . 2]" 1
2009 1 80 ASP QB 1 81 ASN H 2.890 . 3.980 2.533 2.356 2.788 . 0 0 "[ . 1 . 2]" 1
2010 1 81 ASN H 1 81 ASN QB 2.660 . 3.520 2.302 2.213 2.431 . 0 0 "[ . 1 . 2]" 1
2011 1 81 ASN QB 1 82 PHE H 3.100 . 4.410 2.773 2.569 2.960 . 0 0 "[ . 1 . 2]" 1
2012 1 81 ASN QB 1 102 ILE MG 3.420 . 5.040 2.161 1.777 2.695 0.023 16 0 "[ . 1 . 2]" 1
2013 1 81 ASN QB 1 106 VAL MG1 3.950 . 6.100 4.329 3.881 4.978 . 0 0 "[ . 1 . 2]" 1
2014 1 81 ASN QB 1 106 VAL MG2 3.150 . 4.510 2.534 2.231 3.091 . 0 0 "[ . 1 . 2]" 1
2015 1 81 ASN QD 1 82 PHE H 4.330 . 6.860 4.794 4.357 5.302 . 0 0 "[ . 1 . 2]" 1
2016 1 81 ASN QD 1 106 VAL MG2 4.840 . 7.880 3.685 2.919 4.622 . 0 0 "[ . 1 . 2]" 1
2017 1 94 ILE H 1 94 ILE QG 3.540 . 5.290 2.859 1.782 4.248 0.008 4 0 "[ . 1 . 2]" 1
2018 1 94 ILE MD 1 102 ILE QG 4.850 . 7.900 4.678 3.074 7.235 . 0 0 "[ . 1 . 2]" 1
2019 1 100 LYS H 1 100 LYS QG 3.790 . 5.790 3.450 2.107 4.063 . 0 0 "[ . 1 . 2]" 1
2020 1 100 LYS HA 1 100 LYS QD 3.760 . 5.720 3.062 1.953 4.234 . 0 0 "[ . 1 . 2]" 1
2021 1 100 LYS QG 1 101 ASP H 3.790 . 5.790 4.062 3.392 4.615 . 0 0 "[ . 1 . 2]" 1
2022 1 101 ASP HA 1 104 GLU QG 4.190 . 6.590 3.827 2.286 5.013 . 0 0 "[ . 1 . 2]" 1
2023 1 102 ILE QG 1 103 THR H 3.630 . 5.470 4.044 3.952 4.134 . 0 0 "[ . 1 . 2]" 1
2024 1 104 GLU H 1 104 GLU QB 2.550 . 3.310 2.234 2.031 2.474 . 0 0 "[ . 1 . 2]" 1
2025 1 104 GLU H 1 104 GLU QG 2.830 . 3.870 3.084 2.094 3.921 0.051 7 0 "[ . 1 . 2]" 1
2026 1 104 GLU HA 1 104 GLU QG 2.680 . 3.570 2.584 2.270 2.953 . 0 0 "[ . 1 . 2]" 1
2027 1 104 GLU QB 1 105 SER H 2.610 . 3.420 2.448 2.274 2.707 . 0 0 "[ . 1 . 2]" 1
2028 1 104 GLU QG 1 105 SER H 3.610 . 5.420 3.960 3.443 4.442 . 0 0 "[ . 1 . 2]" 1
2029 1 107 LEU HA 1 110 LEU QB 2.900 . 4.010 2.385 2.133 2.638 . 0 0 "[ . 1 . 2]" 1
2030 1 108 TYR HA 1 111 HIS QB 3.240 . 4.690 2.934 2.473 3.303 . 0 0 "[ . 1 . 2]" 1
2031 1 110 LEU H 1 110 LEU QB 2.580 . 3.370 2.424 2.393 2.471 . 0 0 "[ . 1 . 2]" 1
2032 1 110 LEU QB 1 111 HIS H 2.660 . 3.520 2.554 2.465 2.655 . 0 0 "[ . 1 . 2]" 1
2033 1 111 HIS H 1 111 HIS QB 2.580 . 3.370 2.345 2.182 2.477 . 0 0 "[ . 1 . 2]" 1
2034 1 111 HIS HA 1 114 LYS QG 4.340 . 6.880 4.223 3.751 4.516 . 0 0 "[ . 1 . 2]" 1
2035 1 111 HIS QB 1 112 ALA H 2.740 . 3.680 2.703 2.535 2.919 . 0 0 "[ . 1 . 2]" 1
2036 1 112 ALA HA 1 115 ASP QB 2.900 . 4.010 3.114 2.737 3.505 . 0 0 "[ . 1 . 2]" 1
2037 1 112 ALA MB 1 115 ASP QB 4.850 . 7.900 4.308 4.027 4.541 . 0 0 "[ . 1 . 2]" 1
2038 1 113 VAL HA 1 116 GLU QB 3.600 . 5.410 2.955 2.254 4.329 . 0 0 "[ . 1 . 2]" 1
2039 1 113 VAL MG1 1 117 ILE QG 3.800 . 5.810 2.475 2.143 2.834 . 0 0 "[ . 1 . 2]" 1
2040 1 114 LYS H 1 114 LYS QG 3.470 . 5.140 3.951 3.905 4.008 . 0 0 "[ . 1 . 2]" 1
2041 1 114 LYS QG 1 117 ILE MD 4.000 . 6.210 4.073 3.367 5.031 . 0 0 "[ . 1 . 2]" 1
2042 1 115 ASP H 1 115 ASP QB 2.430 . 3.070 2.259 2.131 2.290 . 0 0 "[ . 1 . 2]" 1
2043 1 116 GLU H 1 116 GLU QG 2.980 . 4.170 2.537 1.889 4.005 . 0 0 "[ . 1 . 2]" 1
2044 1 116 GLU HA 1 116 GLU QG 2.840 . 3.890 2.655 2.263 3.364 . 0 0 "[ . 1 . 2]" 1
2045 1 116 GLU QG 1 117 ILE H 3.600 . 5.410 3.886 2.173 4.347 . 0 0 "[ . 1 . 2]" 1
2046 1 117 ILE H 1 117 ILE QG 3.080 . 4.360 2.125 1.970 2.284 . 0 0 "[ . 1 . 2]" 1
2047 1 117 ILE HA 1 120 GLU QB 4.340 . 6.880 3.309 2.610 4.507 . 0 0 "[ . 1 . 2]" 1
2048 1 117 ILE MG 1 120 GLU QB 4.250 . 6.710 4.253 3.440 5.770 . 0 0 "[ . 1 . 2]" 1
2049 1 117 ILE QG 1 118 ALA H 3.470 . 5.150 4.005 3.909 4.137 . 0 0 "[ . 1 . 2]" 1
2050 1 119 ARG H 1 119 ARG QG 3.230 . 4.660 3.971 3.687 4.066 . 0 0 "[ . 1 . 2]" 1
2051 1 120 GLU HA 1 120 GLU QG 2.690 . 3.580 2.790 2.266 3.354 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 108
_Distance_constraint_stats_list.Viol_count 273
_Distance_constraint_stats_list.Viol_total 131.612
_Distance_constraint_stats_list.Viol_max 0.157
_Distance_constraint_stats_list.Viol_rms 0.0112
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0030
_Distance_constraint_stats_list.Viol_average_violations_only 0.0241
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 LEU 0.536 0.090 8 0 "[ . 1 . 2]"
1 8 GLU 0.051 0.025 2 0 "[ . 1 . 2]"
1 9 MET 0.123 0.042 9 0 "[ . 1 . 2]"
1 10 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLU 0.576 0.090 8 0 "[ . 1 . 2]"
1 12 GLN 0.068 0.025 2 0 "[ . 1 . 2]"
1 13 MET 0.138 0.042 9 0 "[ . 1 . 2]"
1 14 ILE 0.022 0.022 5 0 "[ . 1 . 2]"
1 15 GLU 0.285 0.046 4 0 "[ . 1 . 2]"
1 16 VAL 0.047 0.016 12 0 "[ . 1 . 2]"
1 17 ALA 0.015 0.015 17 0 "[ . 1 . 2]"
1 18 GLU 0.077 0.024 16 0 "[ . 1 . 2]"
1 19 LYS 0.279 0.046 4 0 "[ . 1 . 2]"
1 20 GLY 0.076 0.047 15 0 "[ . 1 . 2]"
1 21 ALA 0.097 0.070 12 0 "[ . 1 . 2]"
1 22 ASP 0.165 0.078 11 0 "[ . 1 . 2]"
1 23 ARG 0.299 0.073 4 0 "[ . 1 . 2]"
1 24 TYR 0.047 0.047 15 0 "[ . 1 . 2]"
1 25 GLN 0.097 0.070 12 0 "[ . 1 . 2]"
1 26 GLU 0.110 0.078 11 0 "[ . 1 . 2]"
1 27 GLY 0.264 0.073 4 0 "[ . 1 . 2]"
1 43 ALA 0.094 0.041 10 0 "[ . 1 . 2]"
1 44 VAL 0.022 0.016 6 0 "[ . 1 . 2]"
1 46 GLU 0.118 0.033 13 0 "[ . 1 . 2]"
1 47 ASN 0.112 0.041 10 0 "[ . 1 . 2]"
1 48 ASP 0.022 0.016 6 0 "[ . 1 . 2]"
1 49 GLU 0.068 0.034 20 0 "[ . 1 . 2]"
1 50 LEU 0.183 0.033 13 0 "[ . 1 . 2]"
1 51 ALA 0.072 0.023 5 0 "[ . 1 . 2]"
1 53 ARG 0.068 0.034 20 0 "[ . 1 . 2]"
1 54 TRP 0.186 0.042 3 0 "[ . 1 . 2]"
1 55 ALA 0.191 0.046 18 0 "[ . 1 . 2]"
1 56 GLU 0.052 0.028 9 0 "[ . 1 . 2]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ALA 0.213 0.043 10 0 "[ . 1 . 2]"
1 59 LEU 0.137 0.046 18 0 "[ . 1 . 2]"
1 60 GLU 0.546 0.111 2 0 "[ . 1 . 2]"
1 61 LEU 0.219 0.038 18 0 "[ . 1 . 2]"
1 62 ILE 0.093 0.043 10 0 "[ . 1 . 2]"
1 64 VAL 0.494 0.111 2 0 "[ . 1 . 2]"
1 65 ARG 0.219 0.038 18 0 "[ . 1 . 2]"
1 74 GLN 0.284 0.054 15 0 "[ . 1 . 2]"
1 77 ALA 0.136 0.065 1 0 "[ . 1 . 2]"
1 78 VAL 0.500 0.054 15 0 "[ . 1 . 2]"
1 80 ASP 0.238 0.055 1 0 "[ . 1 . 2]"
1 81 ASN 0.182 0.065 1 0 "[ . 1 . 2]"
1 82 PHE 0.288 0.062 12 0 "[ . 1 . 2]"
1 83 LEU 0.185 0.055 15 0 "[ . 1 . 2]"
1 84 GLU 0.705 0.086 12 0 "[ . 1 . 2]"
1 85 LEU 0.046 0.021 6 0 "[ . 1 . 2]"
1 86 VAL 0.072 0.062 12 0 "[ . 1 . 2]"
1 87 LEU 0.185 0.055 15 0 "[ . 1 . 2]"
1 88 GLN 0.467 0.086 12 0 "[ . 1 . 2]"
1 98 ARG 0.017 0.014 15 0 "[ . 1 . 2]"
1 99 PHE 0.005 0.005 14 0 "[ . 1 . 2]"
1 100 LYS 0.236 0.073 19 0 "[ . 1 . 2]"
1 101 ASP 0.047 0.047 15 0 "[ . 1 . 2]"
1 102 ILE 0.017 0.014 15 0 "[ . 1 . 2]"
1 103 THR 0.174 0.044 14 0 "[ . 1 . 2]"
1 104 GLU 0.523 0.073 19 0 "[ . 1 . 2]"
1 105 SER 0.047 0.047 15 0 "[ . 1 . 2]"
1 106 VAL 0.009 0.004 1 0 "[ . 1 . 2]"
1 107 LEU 0.229 0.044 14 0 "[ . 1 . 2]"
1 108 TYR 0.287 0.066 15 0 "[ . 1 . 2]"
1 109 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 LEU 0.020 0.011 14 0 "[ . 1 . 2]"
1 111 HIS 0.207 0.068 10 0 "[ . 1 . 2]"
1 113 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 LYS 0.227 0.068 8 0 "[ . 1 . 2]"
1 115 ASP 0.147 0.068 10 0 "[ . 1 . 2]"
1 116 GLU 0.492 0.157 8 0 "[ . 1 . 2]"
1 117 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 ALA 0.216 0.068 8 0 "[ . 1 . 2]"
1 120 GLU 0.492 0.157 8 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 7 LEU O 1 11 GLU H 2.000 . 2.300 1.789 1.710 1.915 0.090 8 0 "[ . 1 . 2]" 2
2 1 7 LEU O 1 11 GLU N 3.000 2.700 3.300 2.757 2.689 2.886 0.011 8 0 "[ . 1 . 2]" 2
3 1 8 GLU O 1 12 GLN H 2.000 . 2.300 1.866 1.775 2.076 0.025 2 0 "[ . 1 . 2]" 2
4 1 8 GLU O 1 12 GLN N 3.000 2.700 3.300 2.799 2.718 3.025 . 0 0 "[ . 1 . 2]" 2
5 1 9 MET O 1 13 MET H 2.000 . 2.300 2.163 1.957 2.342 0.042 9 0 "[ . 1 . 2]" 2
6 1 9 MET O 1 13 MET N 3.000 2.700 3.300 3.090 2.881 3.295 . 0 0 "[ . 1 . 2]" 2
7 1 10 THR O 1 14 ILE H 2.000 . 2.300 1.898 1.809 2.023 . 0 0 "[ . 1 . 2]" 2
8 1 10 THR O 1 14 ILE N 3.000 2.700 3.300 2.831 2.727 2.968 . 0 0 "[ . 1 . 2]" 2
9 1 11 GLU O 1 15 GLU H 2.000 . 2.300 2.058 1.815 2.326 0.026 7 0 "[ . 1 . 2]" 2
10 1 11 GLU O 1 15 GLU N 3.000 2.700 3.300 2.998 2.754 3.271 . 0 0 "[ . 1 . 2]" 2
11 1 12 GLN O 1 16 VAL H 2.000 . 2.300 2.006 1.784 2.302 0.016 12 0 "[ . 1 . 2]" 2
12 1 12 GLN O 1 16 VAL N 3.000 2.700 3.300 2.954 2.730 3.208 . 0 0 "[ . 1 . 2]" 2
13 1 13 MET O 1 17 ALA H 2.000 . 2.300 2.087 1.870 2.315 0.015 17 0 "[ . 1 . 2]" 2
14 1 13 MET O 1 17 ALA N 3.000 2.700 3.300 3.021 2.826 3.267 . 0 0 "[ . 1 . 2]" 2
15 1 14 ILE O 1 18 GLU H 2.000 . 2.300 1.944 1.778 2.270 0.022 5 0 "[ . 1 . 2]" 2
16 1 14 ILE O 1 18 GLU N 3.000 2.700 3.300 2.914 2.756 3.250 . 0 0 "[ . 1 . 2]" 2
17 1 15 GLU O 1 19 LYS H 2.000 . 2.300 1.820 1.754 1.927 0.046 4 0 "[ . 1 . 2]" 2
18 1 15 GLU O 1 19 LYS N 3.000 2.700 3.300 2.765 2.682 2.884 0.018 1 0 "[ . 1 . 2]" 2
19 1 16 VAL O 1 20 GLY H 2.000 . 2.300 1.892 1.786 2.177 0.014 6 0 "[ . 1 . 2]" 2
20 1 16 VAL O 1 20 GLY N 3.000 2.700 3.300 2.759 2.690 2.920 0.010 6 0 "[ . 1 . 2]" 2
21 1 17 ALA O 1 21 ALA H 2.000 . 2.300 2.012 1.863 2.271 . 0 0 "[ . 1 . 2]" 2
22 1 17 ALA O 1 21 ALA N 3.000 2.700 3.300 2.963 2.780 3.228 . 0 0 "[ . 1 . 2]" 2
23 1 18 GLU O 1 22 ASP H 2.000 . 2.300 1.998 1.776 2.308 0.024 16 0 "[ . 1 . 2]" 2
24 1 18 GLU O 1 22 ASP N 3.000 2.700 3.300 2.927 2.699 3.254 0.001 1 0 "[ . 1 . 2]" 2
25 1 19 LYS O 1 23 ARG H 2.000 . 2.300 1.894 1.796 2.130 0.004 11 0 "[ . 1 . 2]" 2
26 1 19 LYS O 1 23 ARG N 3.000 2.700 3.300 2.790 2.678 3.032 0.022 11 0 "[ . 1 . 2]" 2
27 1 20 GLY O 1 24 TYR H 2.000 . 2.300 2.062 1.866 2.347 0.047 15 0 "[ . 1 . 2]" 2
28 1 20 GLY O 1 24 TYR N 3.000 2.700 3.300 2.967 2.761 3.219 . 0 0 "[ . 1 . 2]" 2
29 1 21 ALA O 1 25 GLN H 2.000 . 2.300 1.994 1.835 2.370 0.070 12 0 "[ . 1 . 2]" 2
30 1 21 ALA O 1 25 GLN N 3.000 2.700 3.300 2.856 2.675 3.207 0.025 6 0 "[ . 1 . 2]" 2
31 1 22 ASP O 1 26 GLU H 2.000 . 2.300 2.055 1.799 2.378 0.078 11 0 "[ . 1 . 2]" 2
32 1 22 ASP O 1 26 GLU N 3.000 2.700 3.300 2.960 2.739 3.295 . 0 0 "[ . 1 . 2]" 2
33 1 23 ARG O 1 27 GLY H 2.000 . 2.300 2.083 1.780 2.373 0.073 4 0 "[ . 1 . 2]" 2
34 1 23 ARG O 1 27 GLY N 3.000 2.700 3.300 2.954 2.651 3.248 0.049 11 0 "[ . 1 . 2]" 2
35 1 43 ALA O 1 47 ASN H 2.000 . 2.300 1.951 1.759 2.248 0.041 10 0 "[ . 1 . 2]" 2
36 1 43 ALA O 1 47 ASN N 3.000 2.700 3.300 2.916 2.722 3.225 . 0 0 "[ . 1 . 2]" 2
37 1 44 VAL O 1 48 ASP H 2.000 . 2.300 2.012 1.802 2.316 0.016 6 0 "[ . 1 . 2]" 2
38 1 44 VAL O 1 48 ASP N 3.000 2.700 3.300 2.911 2.709 3.190 . 0 0 "[ . 1 . 2]" 2
39 1 46 GLU O 1 50 LEU H 2.000 . 2.300 1.852 1.771 1.976 0.029 13 0 "[ . 1 . 2]" 2
40 1 46 GLU O 1 50 LEU N 3.000 2.700 3.300 2.761 2.667 2.889 0.033 13 0 "[ . 1 . 2]" 2
41 1 47 ASN O 1 51 ALA H 2.000 . 2.300 1.838 1.786 1.896 0.014 9 0 "[ . 1 . 2]" 2
42 1 47 ASN O 1 51 ALA N 3.000 2.700 3.300 2.804 2.729 2.864 . 0 0 "[ . 1 . 2]" 2
43 1 49 GLU O 1 53 ARG H 2.000 . 2.300 1.918 1.766 2.144 0.034 20 0 "[ . 1 . 2]" 2
44 1 49 GLU O 1 53 ARG N 3.000 2.700 3.300 2.879 2.717 3.120 . 0 0 "[ . 1 . 2]" 2
45 1 50 LEU O 1 54 TRP H 2.000 . 2.300 1.882 1.772 2.048 0.028 16 0 "[ . 1 . 2]" 2
46 1 50 LEU O 1 54 TRP N 3.000 2.700 3.300 2.795 2.682 2.981 0.018 16 0 "[ . 1 . 2]" 2
47 1 51 ALA O 1 55 ALA H 2.000 . 2.300 1.945 1.777 2.312 0.023 5 0 "[ . 1 . 2]" 2
48 1 51 ALA O 1 55 ALA N 3.000 2.700 3.300 2.892 2.720 3.224 . 0 0 "[ . 1 . 2]" 2
49 1 53 ARG O 1 57 GLY H 2.000 . 2.300 1.998 1.872 2.189 . 0 0 "[ . 1 . 2]" 2
50 1 53 ARG O 1 57 GLY N 3.000 2.700 3.300 2.917 2.790 3.103 . 0 0 "[ . 1 . 2]" 2
51 1 54 TRP O 1 58 ALA H 2.000 . 2.300 1.828 1.758 1.967 0.042 3 0 "[ . 1 . 2]" 2
52 1 54 TRP O 1 58 ALA N 3.000 2.700 3.300 2.785 2.702 2.913 . 0 0 "[ . 1 . 2]" 2
53 1 55 ALA O 1 59 LEU H 2.000 . 2.300 1.849 1.754 1.952 0.046 18 0 "[ . 1 . 2]" 2
54 1 55 ALA O 1 59 LEU N 3.000 2.700 3.300 2.795 2.706 2.860 . 0 0 "[ . 1 . 2]" 2
55 1 56 GLU O 1 60 GLU H 2.000 . 2.300 2.151 1.848 2.328 0.028 9 0 "[ . 1 . 2]" 2
56 1 56 GLU O 1 60 GLU N 3.000 2.700 3.300 3.025 2.746 3.207 . 0 0 "[ . 1 . 2]" 2
57 1 58 ALA O 1 62 ILE H 2.000 . 2.300 2.063 1.798 2.343 0.043 10 0 "[ . 1 . 2]" 2
58 1 58 ALA O 1 62 ILE N 3.000 2.700 3.300 3.016 2.769 3.260 . 0 0 "[ . 1 . 2]" 2
59 1 60 GLU O 1 64 VAL H 2.000 . 2.300 2.223 1.844 2.411 0.111 2 0 "[ . 1 . 2]" 2
60 1 60 GLU O 1 64 VAL N 3.000 2.700 3.300 3.090 2.805 3.290 . 0 0 "[ . 1 . 2]" 2
61 1 61 LEU O 1 65 ARG H 2.000 . 2.300 1.911 1.762 2.298 0.038 18 0 "[ . 1 . 2]" 2
62 1 61 LEU O 1 65 ARG N 3.000 2.700 3.300 2.871 2.690 3.273 0.010 20 0 "[ . 1 . 2]" 2
63 1 74 GLN O 1 78 VAL H 2.000 . 2.300 1.830 1.746 2.026 0.054 15 0 "[ . 1 . 2]" 2
64 1 74 GLN O 1 78 VAL N 3.000 2.700 3.300 2.777 2.696 2.995 0.004 16 0 "[ . 1 . 2]" 2
65 1 77 ALA O 1 81 ASN H 2.000 . 2.300 1.868 1.735 2.016 0.065 1 0 "[ . 1 . 2]" 2
66 1 77 ALA O 1 81 ASN N 3.000 2.700 3.300 2.829 2.708 2.963 . 0 0 "[ . 1 . 2]" 2
67 1 78 VAL O 1 82 PHE H 2.000 . 2.300 1.831 1.762 1.935 0.038 16 0 "[ . 1 . 2]" 2
68 1 78 VAL O 1 82 PHE N 3.000 2.700 3.300 2.724 2.663 2.853 0.037 5 0 "[ . 1 . 2]" 2
69 1 80 ASP O 1 84 GLU H 2.000 . 2.300 2.080 1.771 2.355 0.055 1 0 "[ . 1 . 2]" 2
70 1 80 ASP O 1 84 GLU N 3.000 2.700 3.300 3.029 2.694 3.311 0.011 9 0 "[ . 1 . 2]" 2
71 1 81 ASN O 1 85 LEU H 2.000 . 2.300 1.846 1.779 1.941 0.021 6 0 "[ . 1 . 2]" 2
72 1 81 ASN O 1 85 LEU N 3.000 2.700 3.300 2.749 2.700 2.852 . 6 0 "[ . 1 . 2]" 2
73 1 82 PHE O 1 86 VAL H 2.000 . 2.300 2.101 1.892 2.362 0.062 12 0 "[ . 1 . 2]" 2
74 1 82 PHE O 1 86 VAL N 3.000 2.700 3.300 3.063 2.862 3.304 0.004 12 0 "[ . 1 . 2]" 2
75 1 83 LEU O 1 87 LEU H 2.000 . 2.300 2.165 1.937 2.355 0.055 15 0 "[ . 1 . 2]" 2
76 1 83 LEU O 1 87 LEU N 3.000 2.700 3.300 3.107 2.851 3.300 0.000 15 0 "[ . 1 . 2]" 2
77 1 84 GLU O 1 88 GLN H 2.000 . 2.300 1.816 1.714 2.095 0.086 12 0 "[ . 1 . 2]" 2
78 1 84 GLU O 1 88 GLN N 3.000 2.700 3.300 2.781 2.691 3.073 0.009 12 0 "[ . 1 . 2]" 2
79 1 98 ARG O 1 102 ILE H 2.000 . 2.300 1.973 1.786 2.303 0.014 15 0 "[ . 1 . 2]" 2
80 1 98 ARG O 1 102 ILE N 3.000 2.700 3.300 2.938 2.759 3.276 . 0 0 "[ . 1 . 2]" 2
81 1 99 PHE O 1 103 THR H 2.000 . 2.300 2.005 1.795 2.276 0.005 14 0 "[ . 1 . 2]" 2
82 1 99 PHE O 1 103 THR N 3.000 2.700 3.300 2.958 2.732 3.202 . 0 0 "[ . 1 . 2]" 2
83 1 100 LYS O 1 104 GLU H 2.000 . 2.300 1.843 1.727 1.977 0.073 19 0 "[ . 1 . 2]" 2
84 1 100 LYS O 1 104 GLU N 3.000 2.700 3.300 2.786 2.669 2.908 0.031 19 0 "[ . 1 . 2]" 2
85 1 101 ASP O 1 105 SER H 2.000 . 2.300 1.860 1.753 2.039 0.047 15 0 "[ . 1 . 2]" 2
86 1 101 ASP O 1 105 SER N 3.000 2.700 3.300 2.810 2.703 3.013 . 0 0 "[ . 1 . 2]" 2
87 1 102 ILE O 1 106 VAL H 2.000 . 2.300 1.986 1.851 2.223 . 0 0 "[ . 1 . 2]" 2
88 1 102 ILE O 1 106 VAL N 3.000 2.700 3.300 2.929 2.790 3.166 . 0 0 "[ . 1 . 2]" 2
89 1 103 THR O 1 107 LEU H 2.000 . 2.300 1.838 1.756 1.975 0.044 14 0 "[ . 1 . 2]" 2
90 1 103 THR O 1 107 LEU N 3.000 2.700 3.300 2.812 2.727 2.940 . 0 0 "[ . 1 . 2]" 2
91 1 104 GLU O 1 108 TYR H 2.000 . 2.300 1.808 1.734 1.918 0.066 15 0 "[ . 1 . 2]" 2
92 1 104 GLU O 1 108 TYR N 3.000 2.700 3.300 2.756 2.696 2.847 0.004 6 0 "[ . 1 . 2]" 2
93 1 106 VAL O 1 110 LEU H 2.000 . 2.300 1.870 1.796 2.027 0.004 1 0 "[ . 1 . 2]" 2
94 1 106 VAL O 1 110 LEU N 3.000 2.700 3.300 2.818 2.747 2.978 . 0 0 "[ . 1 . 2]" 2
95 1 107 LEU O 1 111 HIS H 2.000 . 2.300 1.895 1.775 2.131 0.025 14 0 "[ . 1 . 2]" 2
96 1 107 LEU O 1 111 HIS N 3.000 2.700 3.300 2.830 2.695 3.066 0.005 14 0 "[ . 1 . 2]" 2
97 1 109 THR O 1 113 VAL H 2.000 . 2.300 2.024 1.920 2.141 . 0 0 "[ . 1 . 2]" 2
98 1 109 THR O 1 113 VAL N 3.000 2.700 3.300 2.956 2.821 3.074 . 0 0 "[ . 1 . 2]" 2
99 1 110 LEU O 1 114 LYS H 2.000 . 2.300 1.932 1.789 2.047 0.011 14 0 "[ . 1 . 2]" 2
100 1 110 LEU O 1 114 LYS N 3.000 2.700 3.300 2.871 2.754 2.983 . 0 0 "[ . 1 . 2]" 2
101 1 111 HIS O 1 115 ASP H 2.000 . 2.300 2.160 1.915 2.368 0.068 10 0 "[ . 1 . 2]" 2
102 1 111 HIS O 1 115 ASP N 3.000 2.700 3.300 3.051 2.812 3.291 . 0 0 "[ . 1 . 2]" 2
103 1 113 VAL O 1 117 ILE H 2.000 . 2.300 1.994 1.811 2.221 . 0 0 "[ . 1 . 2]" 2
104 1 113 VAL O 1 117 ILE N 3.000 2.700 3.300 2.945 2.761 3.163 . 0 0 "[ . 1 . 2]" 2
105 1 114 LYS O 1 118 ALA H 2.000 . 2.300 2.158 1.827 2.368 0.068 8 0 "[ . 1 . 2]" 2
106 1 114 LYS O 1 118 ALA N 3.000 2.700 3.300 3.109 2.799 3.305 0.005 5 0 "[ . 1 . 2]" 2
107 1 116 GLU O 1 120 GLU H 2.000 . 2.300 2.096 1.750 2.457 0.157 8 0 "[ . 1 . 2]" 2
108 1 116 GLU O 1 120 GLU N 3.000 2.700 3.300 2.915 2.709 3.143 . 0 0 "[ . 1 . 2]" 2
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