NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
443642 |
2key   |
16161 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2key
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 1560
_Distance_constraint_stats_list.Viol_count 1747
_Distance_constraint_stats_list.Viol_total 2530.693
_Distance_constraint_stats_list.Viol_max 0.388
_Distance_constraint_stats_list.Viol_rms 0.0222
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0041
_Distance_constraint_stats_list.Viol_average_violations_only 0.0724
_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 ASP 3.437 0.173 17 0 "[ . 1 . 2]"
1 7 PHE 9.478 0.258 17 0 "[ . 1 . 2]"
1 8 LYS 5.894 0.242 20 0 "[ . 1 . 2]"
1 9 SER 6.342 0.258 17 0 "[ . 1 . 2]"
1 10 PHE 1.885 0.117 20 0 "[ . 1 . 2]"
1 11 HIS 0.792 0.120 4 0 "[ . 1 . 2]"
1 12 ASP 2.520 0.228 11 0 "[ . 1 . 2]"
1 13 PHE 1.012 0.181 17 0 "[ . 1 . 2]"
1 14 VAL 0.541 0.098 18 0 "[ . 1 . 2]"
1 15 ALA 0.675 0.095 6 0 "[ . 1 . 2]"
1 16 SER 0.786 0.223 19 0 "[ . 1 . 2]"
1 17 TYR 0.030 0.030 20 0 "[ . 1 . 2]"
1 18 MET 1.939 0.111 8 0 "[ . 1 . 2]"
1 19 LYS 1.255 0.319 20 0 "[ . 1 . 2]"
1 20 THR 0.290 0.099 5 0 "[ . 1 . 2]"
1 21 TYR 2.160 0.181 11 0 "[ . 1 . 2]"
1 22 SER 1.007 0.101 8 0 "[ . 1 . 2]"
1 23 ARG 1.053 0.179 10 0 "[ . 1 . 2]"
1 24 ARG 0.871 0.179 10 0 "[ . 1 . 2]"
1 25 LEU 5.508 0.297 1 0 "[ . 1 . 2]"
1 26 GLU 6.836 0.260 1 0 "[ . 1 . 2]"
1 27 ILE 2.356 0.152 14 0 "[ . 1 . 2]"
1 28 GLY 0.013 0.013 16 0 "[ . 1 . 2]"
1 29 THR 0.999 0.110 1 0 "[ . 1 . 2]"
1 30 PHE 2.541 0.297 1 0 "[ . 1 . 2]"
1 31 ARG 1.959 0.181 16 0 "[ . 1 . 2]"
1 32 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 LYS 3.223 0.355 10 0 "[ . 1 . 2]"
1 35 SER 0.657 0.133 16 0 "[ . 1 . 2]"
1 36 CYS 1.490 0.150 9 0 "[ . 1 . 2]"
1 37 MET 1.274 0.150 9 0 "[ . 1 . 2]"
1 38 ARG 2.339 0.259 14 0 "[ . 1 . 2]"
1 39 LYS 7.559 0.311 2 0 "[ . 1 . 2]"
1 40 PHE 1.709 0.165 16 0 "[ . 1 . 2]"
1 41 LYS 2.339 0.234 20 0 "[ . 1 . 2]"
1 42 GLU 1.819 0.234 20 0 "[ . 1 . 2]"
1 46 GLY 0.410 0.127 20 0 "[ . 1 . 2]"
1 47 LEU 1.623 0.307 17 0 "[ . 1 . 2]"
1 48 GLN 4.762 0.307 17 0 "[ . 1 . 2]"
1 49 PHE 3.396 0.200 12 0 "[ . 1 . 2]"
1 50 HIS 2.053 0.200 12 0 "[ . 1 . 2]"
1 51 GLU 0.172 0.079 18 0 "[ . 1 . 2]"
1 52 LEU 0.545 0.075 7 0 "[ . 1 . 2]"
1 53 THR 0.341 0.075 7 0 "[ . 1 . 2]"
1 54 GLU 0.949 0.159 7 0 "[ . 1 . 2]"
1 55 ASP 0.483 0.094 12 0 "[ . 1 . 2]"
1 56 PHE 0.799 0.073 8 0 "[ . 1 . 2]"
1 57 LEU 2.591 0.138 3 0 "[ . 1 . 2]"
1 58 ARG 0.930 0.277 5 0 "[ . 1 . 2]"
1 59 ASP 0.205 0.132 16 0 "[ . 1 . 2]"
1 60 TYR 0.785 0.093 13 0 "[ . 1 . 2]"
1 61 LEU 3.088 0.155 3 0 "[ . 1 . 2]"
1 62 ILE 2.721 0.155 3 0 "[ . 1 . 2]"
1 63 TYR 0.083 0.036 12 0 "[ . 1 . 2]"
1 64 MET 2.863 0.180 15 0 "[ . 1 . 2]"
1 65 LYS 2.135 0.355 13 0 "[ . 1 . 2]"
1 66 LYS 0.482 0.069 19 0 "[ . 1 . 2]"
1 67 THR 0.321 0.042 1 0 "[ . 1 . 2]"
1 68 LEU 0.430 0.077 14 0 "[ . 1 . 2]"
1 69 CYS 0.009 0.009 13 0 "[ . 1 . 2]"
1 70 ASN 1.090 0.126 17 0 "[ . 1 . 2]"
1 71 ALA 0.398 0.126 17 0 "[ . 1 . 2]"
1 72 ASP 0.972 0.167 16 0 "[ . 1 . 2]"
1 73 SER 0.115 0.075 16 0 "[ . 1 . 2]"
1 74 THR 0.403 0.067 2 0 "[ . 1 . 2]"
1 75 ALA 0.415 0.079 19 0 "[ . 1 . 2]"
1 76 GLN 5.866 0.191 15 0 "[ . 1 . 2]"
1 77 ARG 1.178 0.215 4 0 "[ . 1 . 2]"
1 78 ASN 4.398 0.269 17 0 "[ . 1 . 2]"
1 79 LEU 2.836 0.098 15 0 "[ . 1 . 2]"
1 80 SER 1.146 0.106 16 0 "[ . 1 . 2]"
1 81 THR 0.227 0.086 6 0 "[ . 1 . 2]"
1 82 ILE 1.137 0.117 20 0 "[ . 1 . 2]"
1 83 LYS 4.923 0.260 3 0 "[ . 1 . 2]"
1 84 ILE 2.589 0.141 15 0 "[ . 1 . 2]"
1 85 TYR 2.812 0.163 10 0 "[ . 1 . 2]"
1 86 VAL 1.089 0.106 9 0 "[ . 1 . 2]"
1 87 SER 5.603 0.260 3 0 "[ . 1 . 2]"
1 88 ALA 0.269 0.066 10 0 "[ . 1 . 2]"
1 89 ALA 2.930 0.187 5 0 "[ . 1 . 2]"
1 90 ILE 2.975 0.187 5 0 "[ . 1 . 2]"
1 91 LYS 1.528 0.156 10 0 "[ . 1 . 2]"
1 92 LYS 2.342 0.206 13 0 "[ . 1 . 2]"
1 93 GLY 1.574 0.156 10 0 "[ . 1 . 2]"
1 94 TYR 2.321 0.195 14 0 "[ . 1 . 2]"
1 95 MET 4.642 0.181 17 0 "[ . 1 . 2]"
1 96 GLU 1.520 0.373 20 0 "[ . 1 . 2]"
1 97 ASN 3.289 0.373 20 0 "[ . 1 . 2]"
1 98 ASP 4.091 0.213 6 0 "[ . 1 . 2]"
1 99 PRO 1.114 0.159 7 0 "[ . 1 . 2]"
1 100 PHE 3.769 0.388 7 0 "[ . 1 . 2]"
1 101 LYS 9.680 0.388 7 0 "[ . 1 . 2]"
1 102 ASP 2.957 0.176 10 0 "[ . 1 . 2]"
1 103 PHE 2.801 0.233 6 0 "[ . 1 . 2]"
1 104 GLY 1.213 0.233 6 0 "[ . 1 . 2]"
1 105 LEU 0.649 0.208 5 0 "[ . 1 . 2]"
1 106 GLU 0.223 0.139 15 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 6 ASP H 1 6 ASP HB2 3.920 . 3.920 2.535 2.295 2.898 . 0 0 "[ . 1 . 2]" 1
2 1 6 ASP H 1 6 ASP HB3 3.920 . 3.920 2.903 2.719 3.742 . 0 0 "[ . 1 . 2]" 1
3 1 6 ASP H 1 7 PHE H 3.270 . 3.270 2.332 1.962 2.578 . 0 0 "[ . 1 . 2]" 1
4 1 6 ASP HA 1 7 PHE H 3.020 . 3.020 3.121 3.038 3.193 0.173 17 0 "[ . 1 . 2]" 1
5 1 6 ASP QB 1 7 PHE H 3.890 . 3.890 3.475 3.356 3.600 . 0 0 "[ . 1 . 2]" 1
6 1 6 ASP HB2 1 7 PHE H 4.140 . 4.140 4.148 3.718 4.264 0.124 9 0 "[ . 1 . 2]" 1
7 1 6 ASP HB3 1 7 PHE H 4.140 . 4.140 3.765 3.559 4.236 0.096 15 0 "[ . 1 . 2]" 1
8 1 7 PHE H 1 7 PHE HB2 3.950 . 3.950 2.927 2.288 3.664 . 0 0 "[ . 1 . 2]" 1
9 1 7 PHE H 1 7 PHE HB3 3.390 . 3.390 3.524 3.363 3.644 0.254 20 0 "[ . 1 . 2]" 1
10 1 7 PHE H 1 8 LYS H 4.420 . 4.420 4.391 4.065 4.556 0.136 4 0 "[ . 1 . 2]" 1
11 1 7 PHE HA 1 8 LYS H 2.900 . 2.900 2.183 1.983 2.604 . 0 0 "[ . 1 . 2]" 1
12 1 7 PHE HA 1 9 SER H 4.450 . 4.450 3.717 3.019 4.544 0.094 16 0 "[ . 1 . 2]" 1
13 1 7 PHE HA 1 12 ASP QB 6.380 . 6.380 3.298 1.613 4.853 . 0 0 "[ . 1 . 2]" 1
14 1 7 PHE HB2 1 8 LYS H 4.040 . 4.040 3.759 3.109 4.130 0.090 2 0 "[ . 1 . 2]" 1
15 1 7 PHE HB2 1 9 SER H 3.700 . 3.700 3.567 2.805 3.958 0.258 17 0 "[ . 1 . 2]" 1
16 1 7 PHE HB2 1 12 ASP QB 5.540 . 5.540 2.943 1.725 4.277 . 0 0 "[ . 1 . 2]" 1
17 1 7 PHE HB2 1 13 PHE H 4.940 . 4.940 3.489 2.806 4.212 . 0 0 "[ . 1 . 2]" 1
18 1 7 PHE HB2 1 13 PHE HA 3.950 . 3.950 3.461 2.431 4.017 0.067 18 0 "[ . 1 . 2]" 1
19 1 7 PHE HB2 1 13 PHE HB2 5.500 . 5.500 3.190 2.352 4.937 . 0 0 "[ . 1 . 2]" 1
20 1 7 PHE HB2 1 13 PHE HB3 5.500 . 5.500 4.630 4.044 5.513 0.013 11 0 "[ . 1 . 2]" 1
21 1 7 PHE HB2 1 13 PHE QD 7.630 . 7.630 3.537 2.310 4.840 . 0 0 "[ . 1 . 2]" 1
22 1 7 PHE HB3 1 8 LYS H 5.040 . 5.040 3.298 2.015 4.190 . 0 0 "[ . 1 . 2]" 1
23 1 7 PHE HB3 1 9 SER H 4.040 . 4.040 3.409 2.616 4.179 0.139 3 0 "[ . 1 . 2]" 1
24 1 7 PHE QD 1 8 LYS H 7.630 . 7.630 4.296 3.264 4.885 . 0 0 "[ . 1 . 2]" 1
25 1 7 PHE QD 1 9 SER H 7.630 . 7.630 4.840 4.283 5.368 . 0 0 "[ . 1 . 2]" 1
26 1 7 PHE QD 1 12 ASP HB2 7.630 . 7.630 4.212 3.062 5.580 . 0 0 "[ . 1 . 2]" 1
27 1 7 PHE QD 1 12 ASP QB 7.330 . 7.330 3.079 1.848 4.134 . 0 0 "[ . 1 . 2]" 1
28 1 7 PHE QD 1 12 ASP HB3 7.630 . 7.630 3.195 1.861 4.344 . 0 0 "[ . 1 . 2]" 1
29 1 7 PHE QD 1 13 PHE H 7.630 . 7.630 4.173 3.429 4.626 . 0 0 "[ . 1 . 2]" 1
30 1 7 PHE QD 1 13 PHE HA 7.630 . 7.630 2.954 2.058 3.813 . 0 0 "[ . 1 . 2]" 1
31 1 7 PHE QD 1 13 PHE HB2 7.630 . 7.630 3.484 2.266 5.570 . 0 0 "[ . 1 . 2]" 1
32 1 7 PHE QD 1 13 PHE HB3 7.630 . 7.630 4.715 3.973 5.677 . 0 0 "[ . 1 . 2]" 1
33 1 7 PHE QE 1 13 PHE HA 7.630 . 7.630 3.700 2.193 4.670 . 0 0 "[ . 1 . 2]" 1
34 1 7 PHE QE 1 13 PHE QD 9.760 . 9.760 3.389 1.985 5.996 . 0 0 "[ . 1 . 2]" 1
35 1 7 PHE QE 1 16 SER HB2 7.140 . 7.140 3.004 2.146 4.146 . 0 0 "[ . 1 . 2]" 1
36 1 7 PHE QE 1 16 SER HB3 7.230 . 7.230 3.335 2.438 4.751 . 0 0 "[ . 1 . 2]" 1
37 1 7 PHE QE 1 17 TYR H 7.630 . 7.630 5.477 4.588 6.772 . 0 0 "[ . 1 . 2]" 1
38 1 7 PHE HZ 1 16 SER HB2 4.690 . 4.690 3.768 2.509 4.749 0.059 1 0 "[ . 1 . 2]" 1
39 1 7 PHE HZ 1 16 SER HB3 4.790 . 4.790 3.858 2.404 4.854 0.064 13 0 "[ . 1 . 2]" 1
40 1 8 LYS H 1 8 LYS HB2 3.520 . 3.520 2.975 2.277 3.627 0.107 3 0 "[ . 1 . 2]" 1
41 1 8 LYS H 1 8 LYS QB 3.310 . 3.310 2.516 2.222 2.773 . 0 0 "[ . 1 . 2]" 1
42 1 8 LYS H 1 8 LYS HB3 3.520 . 3.520 3.149 2.522 3.624 0.104 13 0 "[ . 1 . 2]" 1
43 1 8 LYS H 1 8 LYS HD2 5.500 . 5.500 4.396 2.671 5.667 0.167 16 0 "[ . 1 . 2]" 1
44 1 8 LYS H 1 8 LYS HD3 5.500 . 5.500 4.327 1.465 5.223 . 0 0 "[ . 1 . 2]" 1
45 1 8 LYS H 1 8 LYS HE2 5.500 . 5.500 4.834 3.859 5.553 0.053 1 0 "[ . 1 . 2]" 1
46 1 8 LYS H 1 8 LYS HE3 5.500 . 5.500 4.814 3.810 5.571 0.071 5 0 "[ . 1 . 2]" 1
47 1 8 LYS H 1 8 LYS HG2 4.600 . 4.600 2.960 1.743 4.578 . 0 0 "[ . 1 . 2]" 1
48 1 8 LYS H 1 8 LYS HG3 4.600 . 4.600 2.812 1.720 4.456 . 0 0 "[ . 1 . 2]" 1
49 1 8 LYS H 1 9 SER H 3.270 . 3.270 2.348 1.858 2.844 . 0 0 "[ . 1 . 2]" 1
50 1 8 LYS H 1 12 ASP QB 5.390 . 5.390 3.340 2.376 4.427 . 0 0 "[ . 1 . 2]" 1
51 1 8 LYS HA 1 12 ASP QB 5.670 . 5.670 5.162 4.150 5.712 0.042 9 0 "[ . 1 . 2]" 1
52 1 8 LYS HB2 1 9 SER H 3.950 . 3.950 3.530 2.571 4.109 0.159 11 0 "[ . 1 . 2]" 1
53 1 8 LYS HB3 1 9 SER H 3.950 . 3.950 3.976 2.498 4.192 0.242 20 0 "[ . 1 . 2]" 1
54 1 8 LYS QG 1 9 SER H 6.380 . 6.380 3.375 1.832 4.515 . 0 0 "[ . 1 . 2]" 1
55 1 8 LYS QG 1 12 ASP QB 6.520 . 6.520 4.359 2.157 5.815 . 0 0 "[ . 1 . 2]" 1
56 1 9 SER H 1 10 PHE H 5.500 . 5.500 4.440 4.316 4.582 . 0 0 "[ . 1 . 2]" 1
57 1 9 SER H 1 12 ASP HB2 3.860 . 3.860 2.826 1.852 3.893 0.033 9 0 "[ . 1 . 2]" 1
58 1 9 SER H 1 12 ASP HB3 3.860 . 3.860 3.463 2.008 4.088 0.228 11 0 "[ . 1 . 2]" 1
59 1 9 SER HA 1 10 PHE H 3.140 . 3.140 2.385 2.163 2.700 . 0 0 "[ . 1 . 2]" 1
60 1 9 SER HA 1 10 PHE QD 7.440 . 7.440 3.936 3.232 4.684 . 0 0 "[ . 1 . 2]" 1
61 1 9 SER HA 1 11 HIS H 4.540 . 4.540 4.344 3.859 4.660 0.120 4 0 "[ . 1 . 2]" 1
62 1 9 SER QB 1 11 HIS H 4.160 . 4.160 2.943 2.438 3.305 . 0 0 "[ . 1 . 2]" 1
63 1 9 SER QB 1 12 ASP H 4.600 . 4.600 2.964 2.359 4.127 . 0 0 "[ . 1 . 2]" 1
64 1 9 SER HB2 1 10 PHE H 3.980 . 3.980 3.393 1.936 4.011 0.031 15 0 "[ . 1 . 2]" 1
65 1 9 SER HB2 1 11 HIS H 4.540 . 4.540 3.536 2.454 4.571 0.031 1 0 "[ . 1 . 2]" 1
66 1 9 SER HB2 1 12 ASP H 4.850 . 4.850 3.409 2.411 4.847 . 0 0 "[ . 1 . 2]" 1
67 1 9 SER HB3 1 10 PHE H 3.980 . 3.980 3.061 2.011 3.997 0.017 2 0 "[ . 1 . 2]" 1
68 1 9 SER HB3 1 11 HIS H 4.540 . 4.540 3.469 2.959 4.558 0.018 11 0 "[ . 1 . 2]" 1
69 1 9 SER HB3 1 12 ASP H 4.850 . 4.850 3.759 2.541 4.913 0.063 18 0 "[ . 1 . 2]" 1
70 1 10 PHE H 1 10 PHE HB2 3.550 . 3.550 3.277 2.310 3.637 0.087 9 0 "[ . 1 . 2]" 1
71 1 10 PHE H 1 10 PHE QB 3.370 . 3.370 2.494 2.282 2.641 . 0 0 "[ . 1 . 2]" 1
72 1 10 PHE H 1 10 PHE HB3 3.550 . 3.550 2.856 2.465 3.608 0.058 20 0 "[ . 1 . 2]" 1
73 1 10 PHE H 1 11 HIS H 3.450 . 3.450 2.740 2.453 2.916 . 0 0 "[ . 1 . 2]" 1
74 1 10 PHE HA 1 13 PHE H 4.760 . 4.760 3.386 2.926 3.785 . 0 0 "[ . 1 . 2]" 1
75 1 10 PHE HA 1 13 PHE HB2 4.260 . 4.260 3.314 2.374 4.270 0.010 3 0 "[ . 1 . 2]" 1
76 1 10 PHE HA 1 13 PHE HB3 4.260 . 4.260 2.991 1.960 4.011 . 0 0 "[ . 1 . 2]" 1
77 1 10 PHE HA 1 13 PHE QD 7.630 . 7.630 4.330 2.679 5.219 . 0 0 "[ . 1 . 2]" 1
78 1 10 PHE QB 1 11 HIS H 3.790 . 3.790 3.175 2.120 3.588 . 0 0 "[ . 1 . 2]" 1
79 1 10 PHE QB 1 52 LEU MD1 7.400 . 7.400 6.279 5.519 7.305 . 0 0 "[ . 1 . 2]" 1
80 1 10 PHE QB 1 52 LEU MD2 6.080 . 6.080 4.504 3.756 5.622 . 0 0 "[ . 1 . 2]" 1
81 1 10 PHE QB 1 82 ILE HA 5.020 . 5.020 4.592 3.589 5.137 0.117 20 0 "[ . 1 . 2]" 1
82 1 10 PHE QB 1 82 ILE MD 6.280 . 6.280 4.497 3.737 5.338 . 0 0 "[ . 1 . 2]" 1
83 1 10 PHE QB 1 82 ILE QG 5.940 . 5.940 4.025 3.269 4.689 . 0 0 "[ . 1 . 2]" 1
84 1 10 PHE QB 1 82 ILE MG 6.130 . 6.130 3.510 2.914 4.628 . 0 0 "[ . 1 . 2]" 1
85 1 10 PHE HB2 1 11 HIS H 3.980 . 3.980 3.421 2.140 3.986 0.006 9 0 "[ . 1 . 2]" 1
86 1 10 PHE HB2 1 52 LEU MD2 6.430 . 6.430 5.221 4.309 6.488 0.058 20 0 "[ . 1 . 2]" 1
87 1 10 PHE HB2 1 82 ILE HG12 7.260 . 7.260 4.429 3.860 5.534 . 0 0 "[ . 1 . 2]" 1
88 1 10 PHE HB2 1 82 ILE HG13 7.260 . 7.260 6.068 5.591 7.119 . 0 0 "[ . 1 . 2]" 1
89 1 10 PHE HB3 1 11 HIS H 3.980 . 3.980 3.889 3.373 4.071 0.091 9 0 "[ . 1 . 2]" 1
90 1 10 PHE HB3 1 52 LEU MD2 6.430 . 6.430 4.955 4.097 6.447 0.017 14 0 "[ . 1 . 2]" 1
91 1 10 PHE HB3 1 82 ILE HG12 7.260 . 7.260 5.255 3.507 5.780 . 0 0 "[ . 1 . 2]" 1
92 1 10 PHE HB3 1 82 ILE HG13 7.260 . 7.260 6.933 5.253 7.372 0.112 14 0 "[ . 1 . 2]" 1
93 1 10 PHE QD 1 52 LEU MD1 8.650 . 8.650 6.769 5.322 7.990 . 0 0 "[ . 1 . 2]" 1
94 1 10 PHE QD 1 52 LEU MD2 7.280 . 7.280 4.878 3.126 6.069 . 0 0 "[ . 1 . 2]" 1
95 1 10 PHE QD 1 82 ILE MD 7.470 . 7.470 4.192 2.880 6.134 . 0 0 "[ . 1 . 2]" 1
96 1 10 PHE QD 1 82 ILE MG 8.650 . 8.650 3.890 3.018 5.386 . 0 0 "[ . 1 . 2]" 1
97 1 10 PHE QE 1 82 ILE MG 8.650 . 8.650 4.940 3.494 6.226 . 0 0 "[ . 1 . 2]" 1
98 1 11 HIS H 1 11 HIS HB2 3.830 . 3.830 3.270 2.341 3.669 . 0 0 "[ . 1 . 2]" 1
99 1 11 HIS H 1 11 HIS QB 3.660 . 3.660 2.441 2.170 2.745 . 0 0 "[ . 1 . 2]" 1
100 1 11 HIS H 1 11 HIS HB3 3.830 . 3.830 2.683 2.251 3.605 . 0 0 "[ . 1 . 2]" 1
101 1 11 HIS H 1 12 ASP H 3.140 . 3.140 2.598 2.416 2.736 . 0 0 "[ . 1 . 2]" 1
102 1 11 HIS H 1 14 VAL HB 5.410 . 5.410 5.251 4.694 5.449 0.039 1 0 "[ . 1 . 2]" 1
103 1 11 HIS HA 1 14 VAL H 3.860 . 3.860 3.638 3.031 3.899 0.039 3 0 "[ . 1 . 2]" 1
104 1 11 HIS HA 1 14 VAL HB 5.500 . 5.500 2.853 1.913 3.309 . 0 0 "[ . 1 . 2]" 1
105 1 11 HIS HA 1 14 VAL MG1 4.690 . 4.690 4.155 3.383 4.596 . 0 0 "[ . 1 . 2]" 1
106 1 11 HIS HA 1 14 VAL MG2 6.520 . 6.520 3.177 2.450 3.699 . 0 0 "[ . 1 . 2]" 1
107 1 11 HIS QB 1 12 ASP H 3.870 . 3.870 3.302 2.536 3.686 . 0 0 "[ . 1 . 2]" 1
108 1 11 HIS HB2 1 12 ASP H 4.200 . 4.200 3.853 2.588 4.243 0.043 11 0 "[ . 1 . 2]" 1
109 1 11 HIS HB3 1 12 ASP H 4.200 . 4.200 3.767 2.706 4.222 0.022 1 0 "[ . 1 . 2]" 1
110 1 12 ASP H 1 12 ASP HB2 3.520 . 3.520 2.378 2.132 2.642 . 0 0 "[ . 1 . 2]" 1
111 1 12 ASP H 1 12 ASP QB 3.250 . 3.250 2.296 2.095 2.575 . 0 0 "[ . 1 . 2]" 1
112 1 12 ASP H 1 12 ASP HB3 3.520 . 3.520 3.257 2.526 3.610 0.090 6 0 "[ . 1 . 2]" 1
113 1 12 ASP H 1 13 PHE H 3.300 . 3.300 2.446 2.360 2.644 . 0 0 "[ . 1 . 2]" 1
114 1 12 ASP HA 1 15 ALA H 3.580 . 3.580 3.529 3.182 3.675 0.095 6 0 "[ . 1 . 2]" 1
115 1 12 ASP HA 1 15 ALA MB 3.950 . 3.950 2.803 2.336 3.224 . 0 0 "[ . 1 . 2]" 1
116 1 12 ASP QB 1 15 ALA MB 7.120 . 7.120 4.344 3.922 4.679 . 0 0 "[ . 1 . 2]" 1
117 1 12 ASP HB2 1 13 PHE H 3.700 . 3.700 2.963 2.423 3.801 0.101 7 0 "[ . 1 . 2]" 1
118 1 12 ASP HB3 1 13 PHE H 3.700 . 3.700 3.182 2.383 3.770 0.070 13 0 "[ . 1 . 2]" 1
119 1 13 PHE H 1 13 PHE HB2 3.300 . 3.300 2.404 2.137 2.602 . 0 0 "[ . 1 . 2]" 1
120 1 13 PHE H 1 13 PHE QB 3.110 . 3.110 2.222 2.095 2.269 . 0 0 "[ . 1 . 2]" 1
121 1 13 PHE H 1 13 PHE HB3 3.300 . 3.300 2.724 2.500 3.481 0.181 17 0 "[ . 1 . 2]" 1
122 1 13 PHE H 1 14 VAL H 3.270 . 3.270 2.690 2.591 2.855 . 0 0 "[ . 1 . 2]" 1
123 1 13 PHE HA 1 16 SER H 3.860 . 3.860 3.580 3.272 3.847 . 0 0 "[ . 1 . 2]" 1
124 1 13 PHE HA 1 16 SER HB2 4.200 . 4.200 3.712 2.751 4.206 0.006 4 0 "[ . 1 . 2]" 1
125 1 13 PHE HA 1 16 SER HB3 4.010 . 4.010 3.300 2.654 4.010 . 0 0 "[ . 1 . 2]" 1
126 1 13 PHE HA 1 17 TYR H 4.940 . 4.940 4.290 3.939 4.970 0.030 20 0 "[ . 1 . 2]" 1
127 1 13 PHE QB 1 14 VAL H 3.950 . 3.950 2.460 2.284 2.595 . 0 0 "[ . 1 . 2]" 1
128 1 13 PHE HB2 1 14 VAL H 4.200 . 4.200 3.613 2.573 3.921 . 0 0 "[ . 1 . 2]" 1
129 1 13 PHE HB2 1 85 TYR QE 7.200 . 7.200 4.506 2.506 6.178 . 0 0 "[ . 1 . 2]" 1
130 1 13 PHE HB3 1 14 VAL H 4.200 . 4.200 2.564 2.315 3.190 . 0 0 "[ . 1 . 2]" 1
131 1 13 PHE HB3 1 85 TYR QE 7.200 . 7.200 3.894 1.968 5.590 . 0 0 "[ . 1 . 2]" 1
132 1 13 PHE QD 1 14 VAL H 7.320 . 7.320 3.635 3.042 4.359 . 0 0 "[ . 1 . 2]" 1
133 1 13 PHE QD 1 14 VAL MG1 8.650 . 8.650 5.166 4.389 6.653 . 0 0 "[ . 1 . 2]" 1
134 1 13 PHE QD 1 14 VAL MG2 8.650 . 8.650 3.608 2.608 4.899 . 0 0 "[ . 1 . 2]" 1
135 1 13 PHE QD 1 17 TYR HB2 7.630 . 7.630 4.022 2.691 5.772 . 0 0 "[ . 1 . 2]" 1
136 1 13 PHE QD 1 17 TYR HB3 7.630 . 7.630 4.452 2.868 6.561 . 0 0 "[ . 1 . 2]" 1
137 1 13 PHE QD 1 17 TYR QD 9.760 . 9.760 5.163 4.130 6.733 . 0 0 "[ . 1 . 2]" 1
138 1 14 VAL H 1 14 VAL HB 3.080 . 3.080 2.521 2.414 2.573 . 0 0 "[ . 1 . 2]" 1
139 1 14 VAL H 1 14 VAL MG1 4.660 . 4.660 3.771 3.747 3.787 . 0 0 "[ . 1 . 2]" 1
140 1 14 VAL H 1 14 VAL MG2 4.780 . 4.780 2.133 2.070 2.289 . 0 0 "[ . 1 . 2]" 1
141 1 14 VAL H 1 15 ALA H 3.140 . 3.140 2.751 2.626 2.910 . 0 0 "[ . 1 . 2]" 1
142 1 14 VAL H 1 15 ALA MB 6.520 . 6.520 4.412 4.323 4.550 . 0 0 "[ . 1 . 2]" 1
143 1 14 VAL HA 1 16 SER H 5.220 . 5.220 4.299 4.121 4.678 . 0 0 "[ . 1 . 2]" 1
144 1 14 VAL HA 1 17 TYR H 3.920 . 3.920 3.505 3.182 3.773 . 0 0 "[ . 1 . 2]" 1
145 1 14 VAL HA 1 17 TYR HB2 4.790 . 4.790 3.941 3.172 4.663 . 0 0 "[ . 1 . 2]" 1
146 1 14 VAL HA 1 17 TYR QB 4.610 . 4.610 2.874 2.185 3.375 . 0 0 "[ . 1 . 2]" 1
147 1 14 VAL HA 1 17 TYR HB3 4.790 . 4.790 2.958 2.226 3.464 . 0 0 "[ . 1 . 2]" 1
148 1 14 VAL HA 1 18 MET H 4.070 . 4.070 3.745 3.326 4.094 0.024 13 0 "[ . 1 . 2]" 1
149 1 14 VAL HA 1 18 MET HB2 5.500 . 5.500 4.323 3.681 4.814 . 0 0 "[ . 1 . 2]" 1
150 1 14 VAL HA 1 18 MET QB 4.670 . 4.670 4.146 3.619 4.528 . 0 0 "[ . 1 . 2]" 1
151 1 14 VAL HA 1 18 MET HB3 5.500 . 5.500 5.377 5.061 5.598 0.098 18 0 "[ . 1 . 2]" 1
152 1 14 VAL HA 1 37 MET ME 6.080 . 6.080 5.170 4.521 6.089 0.009 12 0 "[ . 1 . 2]" 1
153 1 14 VAL HA 1 85 TYR H 5.500 . 5.500 5.158 4.496 5.552 0.052 2 0 "[ . 1 . 2]" 1
154 1 14 VAL HB 1 15 ALA H 3.330 . 3.330 2.632 2.441 2.866 . 0 0 "[ . 1 . 2]" 1
155 1 14 VAL HB 1 15 ALA MB 6.050 . 6.050 4.011 3.864 4.211 . 0 0 "[ . 1 . 2]" 1
156 1 14 VAL MG1 1 15 ALA H 5.500 . 5.500 3.355 3.016 3.608 . 0 0 "[ . 1 . 2]" 1
157 1 14 VAL MG1 1 37 MET ME 7.540 . 7.540 2.639 2.131 3.490 . 0 0 "[ . 1 . 2]" 1
158 1 14 VAL MG1 1 85 TYR HA 6.520 . 6.520 5.164 4.146 6.291 . 0 0 "[ . 1 . 2]" 1
159 1 14 VAL MG1 1 85 TYR HB2 5.530 . 5.530 4.153 2.078 5.341 . 0 0 "[ . 1 . 2]" 1
160 1 14 VAL MG1 1 85 TYR QB 5.390 . 5.390 3.498 2.052 4.244 . 0 0 "[ . 1 . 2]" 1
161 1 14 VAL MG1 1 85 TYR HB3 5.530 . 5.530 4.122 2.629 5.348 . 0 0 "[ . 1 . 2]" 1
162 1 14 VAL MG1 1 85 TYR QD 8.120 . 8.120 4.507 3.623 5.617 . 0 0 "[ . 1 . 2]" 1
163 1 14 VAL MG2 1 15 ALA H 4.910 . 4.910 3.882 3.793 4.031 . 0 0 "[ . 1 . 2]" 1
164 1 14 VAL MG2 1 15 ALA HA 6.520 . 6.520 5.379 5.313 5.448 . 0 0 "[ . 1 . 2]" 1
165 1 14 VAL MG2 1 15 ALA MB 7.540 . 7.540 4.994 4.919 5.121 . 0 0 "[ . 1 . 2]" 1
166 1 14 VAL MG2 1 17 TYR H 6.520 . 6.520 5.252 4.982 5.447 . 0 0 "[ . 1 . 2]" 1
167 1 14 VAL MG2 1 18 MET H 6.300 . 6.300 5.323 5.004 5.589 . 0 0 "[ . 1 . 2]" 1
168 1 14 VAL MG2 1 18 MET QB 7.400 . 7.400 4.880 4.584 5.134 . 0 0 "[ . 1 . 2]" 1
169 1 14 VAL MG2 1 18 MET ME 6.610 . 6.610 4.118 2.838 4.890 . 0 0 "[ . 1 . 2]" 1
170 1 14 VAL MG2 1 37 MET ME 5.860 . 5.860 3.438 1.790 4.748 . 0 0 "[ . 1 . 2]" 1
171 1 14 VAL MG2 1 85 TYR H 6.520 . 6.520 3.327 2.629 4.308 . 0 0 "[ . 1 . 2]" 1
172 1 14 VAL MG2 1 85 TYR HB2 6.520 . 6.520 2.626 1.587 4.081 . 0 0 "[ . 1 . 2]" 1
173 1 14 VAL MG2 1 85 TYR HB3 6.520 . 6.520 2.493 1.581 3.214 . 0 0 "[ . 1 . 2]" 1
174 1 15 ALA H 1 15 ALA MB 3.450 . 3.450 2.234 2.226 2.247 . 0 0 "[ . 1 . 2]" 1
175 1 15 ALA H 1 16 SER H 3.170 . 3.170 2.709 2.621 2.793 . 0 0 "[ . 1 . 2]" 1
176 1 15 ALA H 1 17 TYR H 4.880 . 4.880 4.269 3.989 4.524 . 0 0 "[ . 1 . 2]" 1
177 1 15 ALA HA 1 18 MET H 4.320 . 4.320 3.670 3.242 4.079 . 0 0 "[ . 1 . 2]" 1
178 1 15 ALA HA 1 18 MET HB2 3.860 . 3.860 3.446 2.781 3.932 0.072 11 0 "[ . 1 . 2]" 1
179 1 15 ALA HA 1 18 MET QB 3.690 . 3.690 2.665 1.809 3.230 . 0 0 "[ . 1 . 2]" 1
180 1 15 ALA HA 1 18 MET HB3 3.860 . 3.860 2.843 1.830 3.919 0.059 18 0 "[ . 1 . 2]" 1
181 1 15 ALA MB 1 16 SER H 3.950 . 3.950 2.629 2.433 2.822 . 0 0 "[ . 1 . 2]" 1
182 1 15 ALA MB 1 16 SER HA 6.360 . 6.360 3.848 3.761 3.924 . 0 0 "[ . 1 . 2]" 1
183 1 15 ALA MB 1 16 SER HB2 6.050 . 6.050 3.974 3.819 4.195 . 0 0 "[ . 1 . 2]" 1
184 1 15 ALA MB 1 17 TYR H 6.520 . 6.520 4.631 4.490 4.797 . 0 0 "[ . 1 . 2]" 1
185 1 15 ALA MB 1 19 LYS H 6.520 . 6.520 4.835 4.218 5.905 . 0 0 "[ . 1 . 2]" 1
186 1 16 SER H 1 16 SER HB2 2.930 . 2.930 2.493 2.039 2.695 . 0 0 "[ . 1 . 2]" 1
187 1 16 SER H 1 16 SER HB3 3.110 . 3.110 2.631 2.504 3.333 0.223 19 0 "[ . 1 . 2]" 1
188 1 16 SER H 1 17 TYR H 3.140 . 3.140 2.575 2.356 2.756 . 0 0 "[ . 1 . 2]" 1
189 1 16 SER H 1 18 MET H 4.570 . 4.570 3.932 3.717 4.120 . 0 0 "[ . 1 . 2]" 1
190 1 16 SER HA 1 19 LYS H 3.920 . 3.920 3.698 3.317 4.030 0.110 1 0 "[ . 1 . 2]" 1
191 1 16 SER HA 1 19 LYS QD 5.420 . 5.420 3.785 1.982 5.374 . 0 0 "[ . 1 . 2]" 1
192 1 16 SER HB2 1 17 TYR H 5.500 . 5.500 3.775 2.897 3.892 . 0 0 "[ . 1 . 2]" 1
193 1 16 SER HB2 1 17 TYR QB 6.380 . 6.380 5.300 4.491 5.500 . 0 0 "[ . 1 . 2]" 1
194 1 16 SER HB3 1 17 TYR H 3.300 . 3.300 2.606 2.426 3.002 . 0 0 "[ . 1 . 2]" 1
195 1 16 SER HB3 1 17 TYR HB2 5.500 . 5.500 4.113 3.800 4.537 . 0 0 "[ . 1 . 2]" 1
196 1 16 SER HB3 1 17 TYR HB3 5.500 . 5.500 4.926 4.599 5.316 . 0 0 "[ . 1 . 2]" 1
197 1 16 SER HB3 1 17 TYR QD 7.630 . 7.630 5.510 5.120 5.794 . 0 0 "[ . 1 . 2]" 1
198 1 17 TYR H 1 17 TYR HB2 3.140 . 3.140 2.542 2.316 2.740 . 0 0 "[ . 1 . 2]" 1
199 1 17 TYR H 1 17 TYR QB 2.950 . 2.950 2.264 2.211 2.314 . 0 0 "[ . 1 . 2]" 1
200 1 17 TYR H 1 17 TYR HB3 3.140 . 3.140 2.566 2.387 2.797 . 0 0 "[ . 1 . 2]" 1
201 1 17 TYR H 1 18 MET H 3.210 . 3.210 2.517 2.378 2.685 . 0 0 "[ . 1 . 2]" 1
202 1 17 TYR H 1 19 LYS H 4.820 . 4.820 4.068 3.818 4.377 . 0 0 "[ . 1 . 2]" 1
203 1 17 TYR QB 1 18 MET H 4.400 . 4.400 2.648 2.457 2.881 . 0 0 "[ . 1 . 2]" 1
204 1 17 TYR HB2 1 18 MET H 4.600 . 4.600 3.877 3.617 4.037 . 0 0 "[ . 1 . 2]" 1
205 1 17 TYR HB3 1 18 MET H 4.600 . 4.600 2.696 2.488 2.959 . 0 0 "[ . 1 . 2]" 1
206 1 17 TYR QD 1 18 MET H 7.630 . 7.630 3.802 3.415 4.219 . 0 0 "[ . 1 . 2]" 1
207 1 17 TYR QD 1 21 TYR QE 9.540 . 9.540 4.425 2.033 6.875 . 0 0 "[ . 1 . 2]" 1
208 1 17 TYR QD 1 84 ILE MG 8.650 . 8.650 2.673 1.902 3.831 . 0 0 "[ . 1 . 2]" 1
209 1 17 TYR QD 1 85 TYR HA 7.630 . 7.630 4.579 3.113 6.368 . 0 0 "[ . 1 . 2]" 1
210 1 17 TYR QD 1 88 ALA MB 8.650 . 8.650 4.115 3.134 6.024 . 0 0 "[ . 1 . 2]" 1
211 1 17 TYR QE 1 21 TYR QB 8.510 . 8.510 4.230 2.982 5.955 . 0 0 "[ . 1 . 2]" 1
212 1 17 TYR QE 1 21 TYR QD 9.760 . 9.760 3.924 2.945 4.879 . 0 0 "[ . 1 . 2]" 1
213 1 17 TYR QE 1 84 ILE MD 8.650 . 8.650 4.422 3.032 6.007 . 0 0 "[ . 1 . 2]" 1
214 1 17 TYR QE 1 84 ILE MG 7.880 . 7.880 2.636 1.764 3.614 . 0 0 "[ . 1 . 2]" 1
215 1 17 TYR QE 1 88 ALA MB 7.630 . 7.630 3.485 2.464 5.869 . 0 0 "[ . 1 . 2]" 1
216 1 18 MET H 1 18 MET HB2 3.830 . 3.830 2.420 2.159 2.552 . 0 0 "[ . 1 . 2]" 1
217 1 18 MET H 1 18 MET QB 3.550 . 3.550 2.224 2.139 2.264 . 0 0 "[ . 1 . 2]" 1
218 1 18 MET H 1 18 MET HB3 3.830 . 3.830 2.653 2.482 3.472 . 0 0 "[ . 1 . 2]" 1
219 1 18 MET H 1 18 MET ME 6.520 . 6.520 3.859 3.292 4.297 . 0 0 "[ . 1 . 2]" 1
220 1 18 MET H 1 18 MET HG2 5.500 . 5.500 4.511 3.881 4.633 . 0 0 "[ . 1 . 2]" 1
221 1 18 MET H 1 18 MET HG3 5.500 . 5.500 4.422 3.990 4.527 . 0 0 "[ . 1 . 2]" 1
222 1 18 MET H 1 19 LYS H 3.240 . 3.240 2.661 2.499 2.834 . 0 0 "[ . 1 . 2]" 1
223 1 18 MET HA 1 18 MET ME 6.120 . 6.120 3.256 1.734 3.934 . 0 0 "[ . 1 . 2]" 1
224 1 18 MET HA 1 21 TYR QD 7.630 . 7.630 3.056 1.889 3.986 . 0 0 "[ . 1 . 2]" 1
225 1 18 MET HA 1 22 SER H 4.320 . 4.320 4.170 3.614 4.421 0.101 8 0 "[ . 1 . 2]" 1
226 1 18 MET QB 1 19 LYS H 4.300 . 4.300 2.692 2.329 2.922 . 0 0 "[ . 1 . 2]" 1
227 1 18 MET HB2 1 21 TYR QE 7.630 . 7.630 4.958 2.837 7.545 . 0 0 "[ . 1 . 2]" 1
228 1 18 MET HB3 1 21 TYR QE 7.630 . 7.630 5.779 3.370 7.707 0.077 13 0 "[ . 1 . 2]" 1
229 1 18 MET ME 1 21 TYR QE 8.280 . 8.280 3.577 2.343 4.798 . 0 0 "[ . 1 . 2]" 1
230 1 18 MET ME 1 34 LYS HA 6.520 . 6.520 5.530 4.133 6.537 0.017 2 0 "[ . 1 . 2]" 1
231 1 18 MET ME 1 37 MET ME 6.820 . 6.820 3.787 2.248 5.437 . 0 0 "[ . 1 . 2]" 1
232 1 18 MET ME 1 81 THR HA 5.530 . 5.530 3.212 2.627 4.249 . 0 0 "[ . 1 . 2]" 1
233 1 18 MET ME 1 84 ILE H 5.220 . 5.220 5.143 4.096 5.331 0.111 8 0 "[ . 1 . 2]" 1
234 1 18 MET ME 1 84 ILE HB 4.260 . 4.260 3.655 2.113 4.212 . 0 0 "[ . 1 . 2]" 1
235 1 18 MET ME 1 84 ILE MD 7.540 . 7.540 3.488 1.950 5.410 . 0 0 "[ . 1 . 2]" 1
236 1 18 MET ME 1 84 ILE MG 5.740 . 5.740 3.344 2.355 4.353 . 0 0 "[ . 1 . 2]" 1
237 1 18 MET ME 1 85 TYR H 5.840 . 5.840 5.270 3.271 5.901 0.061 9 0 "[ . 1 . 2]" 1
238 1 18 MET HG2 1 19 LYS H 5.500 . 5.500 4.461 3.631 5.303 . 0 0 "[ . 1 . 2]" 1
239 1 18 MET HG3 1 19 LYS H 5.500 . 5.500 4.479 3.450 5.195 . 0 0 "[ . 1 . 2]" 1
240 1 19 LYS H 1 19 LYS HD2 5.500 . 5.500 4.549 3.747 5.243 . 0 0 "[ . 1 . 2]" 1
241 1 19 LYS H 1 19 LYS HD3 5.500 . 5.500 4.644 3.339 4.965 . 0 0 "[ . 1 . 2]" 1
242 1 19 LYS H 1 19 LYS HG2 5.500 . 5.500 3.760 2.337 4.467 . 0 0 "[ . 1 . 2]" 1
243 1 19 LYS H 1 19 LYS HG3 5.500 . 5.500 3.722 2.097 4.582 . 0 0 "[ . 1 . 2]" 1
244 1 19 LYS H 1 20 THR H 3.980 . 3.980 2.737 2.463 2.994 . 0 0 "[ . 1 . 2]" 1
245 1 19 LYS HA 1 19 LYS HD2 5.500 . 5.500 4.277 2.552 4.795 . 0 0 "[ . 1 . 2]" 1
246 1 19 LYS HA 1 19 LYS HD3 5.500 . 5.500 4.060 2.025 5.532 0.032 1 0 "[ . 1 . 2]" 1
247 1 19 LYS HA 1 19 LYS HE2 5.500 . 5.500 5.158 4.332 5.608 0.108 17 0 "[ . 1 . 2]" 1
248 1 19 LYS HA 1 19 LYS HE3 5.500 . 5.500 5.003 4.060 5.819 0.319 20 0 "[ . 1 . 2]" 1
249 1 19 LYS HB2 1 19 LYS HE2 5.500 . 5.500 4.725 2.915 5.504 0.004 12 0 "[ . 1 . 2]" 1
250 1 19 LYS HB2 1 19 LYS HE3 5.500 . 5.500 4.299 1.912 5.440 . 0 0 "[ . 1 . 2]" 1
251 1 19 LYS HB2 1 20 THR H 5.500 . 5.500 3.543 2.383 4.127 . 0 0 "[ . 1 . 2]" 1
252 1 19 LYS HB3 1 19 LYS HE2 5.500 . 5.500 4.423 4.011 4.841 . 0 0 "[ . 1 . 2]" 1
253 1 19 LYS HB3 1 19 LYS HE3 5.500 . 5.500 4.474 2.953 5.403 . 0 0 "[ . 1 . 2]" 1
254 1 19 LYS HB3 1 20 THR H 5.500 . 5.500 3.192 2.546 4.232 . 0 0 "[ . 1 . 2]" 1
255 1 19 LYS HD2 1 20 THR H 5.500 . 5.500 4.838 2.840 5.555 0.055 2 0 "[ . 1 . 2]" 1
256 1 19 LYS HD3 1 20 THR H 5.500 . 5.500 4.601 3.506 5.599 0.099 5 0 "[ . 1 . 2]" 1
257 1 19 LYS HG2 1 20 THR H 5.500 . 5.500 4.368 2.701 5.103 . 0 0 "[ . 1 . 2]" 1
258 1 19 LYS HG3 1 20 THR H 5.500 . 5.500 4.527 2.387 5.470 . 0 0 "[ . 1 . 2]" 1
259 1 20 THR H 1 20 THR HB 3.240 . 3.240 2.607 2.493 2.793 . 0 0 "[ . 1 . 2]" 1
260 1 20 THR H 1 21 TYR H 3.240 . 3.240 2.666 2.188 2.964 . 0 0 "[ . 1 . 2]" 1
261 1 20 THR HB 1 21 TYR H 3.860 . 3.860 2.575 2.199 3.024 . 0 0 "[ . 1 . 2]" 1
262 1 20 THR MG 1 21 TYR H 6.050 . 6.050 3.536 3.227 4.009 . 0 0 "[ . 1 . 2]" 1
263 1 21 TYR H 1 21 TYR HB2 3.480 . 3.480 3.133 2.414 3.661 0.181 11 0 "[ . 1 . 2]" 1
264 1 21 TYR H 1 21 TYR QB 3.240 . 3.240 2.417 2.183 2.884 . 0 0 "[ . 1 . 2]" 1
265 1 21 TYR H 1 21 TYR HB3 3.480 . 3.480 2.614 2.333 3.621 0.141 1 0 "[ . 1 . 2]" 1
266 1 21 TYR H 1 22 SER H 3.580 . 3.580 2.438 2.134 2.681 . 0 0 "[ . 1 . 2]" 1
267 1 21 TYR HA 1 24 ARG H 4.790 . 4.790 3.814 3.381 4.486 . 0 0 "[ . 1 . 2]" 1
268 1 21 TYR QB 1 22 SER H 4.240 . 4.240 3.404 2.749 3.900 . 0 0 "[ . 1 . 2]" 1
269 1 21 TYR HB2 1 22 SER H 4.420 . 4.420 4.150 2.826 4.473 0.053 7 0 "[ . 1 . 2]" 1
270 1 21 TYR HB3 1 22 SER H 4.420 . 4.420 3.721 2.844 4.445 0.025 6 0 "[ . 1 . 2]" 1
271 1 21 TYR QD 1 22 SER H 7.630 . 7.630 3.883 3.012 4.644 . 0 0 "[ . 1 . 2]" 1
272 1 21 TYR QD 1 25 LEU MD1 8.550 . 8.550 3.579 1.867 4.826 . 0 0 "[ . 1 . 2]" 1
273 1 21 TYR QD 1 25 LEU MD2 8.650 . 8.650 3.111 1.917 4.739 . 0 0 "[ . 1 . 2]" 1
274 1 21 TYR QE 1 25 LEU QB 8.510 . 8.510 4.360 2.640 7.079 . 0 0 "[ . 1 . 2]" 1
275 1 21 TYR QE 1 25 LEU MD1 7.540 . 7.540 3.234 1.700 6.521 . 0 0 "[ . 1 . 2]" 1
276 1 21 TYR QE 1 25 LEU MD2 7.850 . 7.850 2.782 1.560 6.376 . 0 0 "[ . 1 . 2]" 1
277 1 21 TYR QE 1 29 THR MG 8.650 . 8.650 5.359 4.067 8.588 . 0 0 "[ . 1 . 2]" 1
278 1 21 TYR QE 1 84 ILE HB 7.630 . 7.630 5.644 4.479 7.691 0.061 19 0 "[ . 1 . 2]" 1
279 1 21 TYR QE 1 84 ILE MD 8.380 . 8.380 3.792 2.245 5.654 . 0 0 "[ . 1 . 2]" 1
280 1 21 TYR QE 1 84 ILE MG 8.310 . 8.310 3.703 2.495 5.698 . 0 0 "[ . 1 . 2]" 1
281 1 22 SER H 1 22 SER HB2 3.920 . 3.920 2.846 2.417 3.593 . 0 0 "[ . 1 . 2]" 1
282 1 22 SER H 1 22 SER QB 3.650 . 3.650 2.382 2.236 2.665 . 0 0 "[ . 1 . 2]" 1
283 1 22 SER H 1 22 SER HB3 3.920 . 3.920 2.763 2.442 3.611 . 0 0 "[ . 1 . 2]" 1
284 1 22 SER H 1 23 ARG H 3.890 . 3.890 2.644 2.545 2.751 . 0 0 "[ . 1 . 2]" 1
285 1 22 SER HA 1 25 LEU H 4.760 . 4.760 3.117 2.745 3.424 . 0 0 "[ . 1 . 2]" 1
286 1 22 SER HA 1 25 LEU HB2 4.630 . 4.630 2.746 1.506 4.695 0.065 17 0 "[ . 1 . 2]" 1
287 1 22 SER HA 1 25 LEU QB 4.060 . 4.060 2.384 1.503 4.120 0.060 17 0 "[ . 1 . 2]" 1
288 1 22 SER HA 1 25 LEU HB3 4.630 . 4.630 3.082 1.820 4.666 0.036 10 0 "[ . 1 . 2]" 1
289 1 22 SER HA 1 25 LEU MD1 6.520 . 6.520 3.475 1.688 4.931 . 0 0 "[ . 1 . 2]" 1
290 1 22 SER HA 1 25 LEU MD2 4.750 . 4.750 2.977 2.073 3.503 . 0 0 "[ . 1 . 2]" 1
291 1 22 SER HA 1 25 LEU HG 4.850 . 4.850 4.067 1.674 4.904 0.054 18 0 "[ . 1 . 2]" 1
292 1 22 SER QB 1 25 LEU MD2 7.340 . 7.340 3.791 3.024 4.828 . 0 0 "[ . 1 . 2]" 1
293 1 22 SER QB 1 30 PHE HZ 4.980 . 4.980 4.018 3.085 4.567 . 0 0 "[ . 1 . 2]" 1
294 1 22 SER HB2 1 23 ARG H 5.500 . 5.500 3.993 3.131 4.306 . 0 0 "[ . 1 . 2]" 1
295 1 22 SER HB2 1 30 PHE HZ 5.500 . 5.500 4.492 3.262 5.515 0.015 4 0 "[ . 1 . 2]" 1
296 1 22 SER HB3 1 23 ARG H 5.500 . 5.500 3.719 2.965 4.379 . 0 0 "[ . 1 . 2]" 1
297 1 22 SER HB3 1 30 PHE HZ 5.500 . 5.500 4.731 3.510 5.560 0.060 11 0 "[ . 1 . 2]" 1
298 1 23 ARG H 1 23 ARG HB2 3.550 . 3.550 2.448 2.088 3.566 0.016 6 0 "[ . 1 . 2]" 1
299 1 23 ARG H 1 23 ARG HB3 3.550 . 3.550 3.324 2.515 3.591 0.041 5 0 "[ . 1 . 2]" 1
300 1 23 ARG H 1 23 ARG HD2 5.500 . 5.500 4.590 3.851 5.266 . 0 0 "[ . 1 . 2]" 1
301 1 23 ARG H 1 23 ARG HD3 5.500 . 5.500 4.485 3.775 5.033 . 0 0 "[ . 1 . 2]" 1
302 1 23 ARG H 1 23 ARG HG2 4.480 . 4.480 3.389 2.048 4.507 0.027 19 0 "[ . 1 . 2]" 1
303 1 23 ARG H 1 23 ARG QG 4.170 . 4.170 2.663 1.805 3.953 . 0 0 "[ . 1 . 2]" 1
304 1 23 ARG H 1 23 ARG HG3 4.480 . 4.480 3.133 1.816 4.464 . 0 0 "[ . 1 . 2]" 1
305 1 23 ARG H 1 24 ARG H 3.050 . 3.050 2.607 2.420 2.790 . 0 0 "[ . 1 . 2]" 1
306 1 23 ARG HA 1 23 ARG HD2 5.500 . 5.500 4.136 1.973 4.982 . 0 0 "[ . 1 . 2]" 1
307 1 23 ARG HA 1 23 ARG HD3 5.500 . 5.500 4.089 1.906 5.523 0.023 6 0 "[ . 1 . 2]" 1
308 1 23 ARG HA 1 24 ARG H 3.550 . 3.550 3.448 3.332 3.516 . 0 0 "[ . 1 . 2]" 1
309 1 23 ARG HB2 1 24 ARG H 3.920 . 3.920 3.287 2.814 3.871 . 0 0 "[ . 1 . 2]" 1
310 1 23 ARG HB3 1 24 ARG H 3.920 . 3.920 3.696 2.735 4.099 0.179 10 0 "[ . 1 . 2]" 1
311 1 23 ARG HG2 1 24 ARG H 5.500 . 5.500 4.804 2.611 5.205 . 0 0 "[ . 1 . 2]" 1
312 1 23 ARG HG3 1 24 ARG H 5.500 . 5.500 4.728 2.366 5.553 0.053 4 0 "[ . 1 . 2]" 1
313 1 24 ARG H 1 24 ARG HB2 3.920 . 3.920 2.949 2.420 3.785 . 0 0 "[ . 1 . 2]" 1
314 1 24 ARG H 1 24 ARG QB 3.660 . 3.660 2.635 2.386 3.159 . 0 0 "[ . 1 . 2]" 1
315 1 24 ARG H 1 24 ARG HB3 3.920 . 3.920 3.468 2.728 3.733 . 0 0 "[ . 1 . 2]" 1
316 1 24 ARG H 1 24 ARG HD2 5.500 . 5.500 4.496 1.957 5.329 . 0 0 "[ . 1 . 2]" 1
317 1 24 ARG H 1 24 ARG HD3 5.500 . 5.500 4.691 3.038 5.568 0.068 12 0 "[ . 1 . 2]" 1
318 1 24 ARG H 1 24 ARG HG2 4.420 . 4.420 3.262 2.090 4.112 . 0 0 "[ . 1 . 2]" 1
319 1 24 ARG H 1 24 ARG QG 3.880 . 3.880 2.562 2.012 3.264 . 0 0 "[ . 1 . 2]" 1
320 1 24 ARG H 1 24 ARG HG3 4.420 . 4.420 2.994 2.023 4.080 . 0 0 "[ . 1 . 2]" 1
321 1 24 ARG H 1 25 LEU H 3.050 . 3.050 2.332 2.155 2.528 . 0 0 "[ . 1 . 2]" 1
322 1 24 ARG HA 1 24 ARG HD2 5.500 . 5.500 4.444 2.989 4.963 . 0 0 "[ . 1 . 2]" 1
323 1 24 ARG HA 1 24 ARG HD3 5.500 . 5.500 4.472 1.960 5.537 0.037 11 0 "[ . 1 . 2]" 1
324 1 24 ARG HB2 1 25 LEU H 4.690 . 4.690 3.927 2.693 4.470 . 0 0 "[ . 1 . 2]" 1
325 1 24 ARG HB3 1 25 LEU H 4.690 . 4.690 4.350 3.760 4.618 . 0 0 "[ . 1 . 2]" 1
326 1 24 ARG HG2 1 25 LEU H 5.500 . 5.500 4.736 3.368 5.567 0.067 2 0 "[ . 1 . 2]" 1
327 1 24 ARG HG3 1 25 LEU H 5.500 . 5.500 4.477 3.234 5.540 0.040 4 0 "[ . 1 . 2]" 1
328 1 25 LEU H 1 25 LEU HB2 3.480 . 3.480 2.767 2.194 3.663 0.183 9 0 "[ . 1 . 2]" 1
329 1 25 LEU H 1 25 LEU QB 3.210 . 3.210 2.508 2.168 3.011 . 0 0 "[ . 1 . 2]" 1
330 1 25 LEU H 1 25 LEU HB3 3.480 . 3.480 3.126 2.709 3.627 0.147 20 0 "[ . 1 . 2]" 1
331 1 25 LEU H 1 25 LEU MD1 5.310 . 5.310 3.580 2.508 4.288 . 0 0 "[ . 1 . 2]" 1
332 1 25 LEU H 1 25 LEU HG 5.500 . 5.500 4.094 1.758 4.741 . 0 0 "[ . 1 . 2]" 1
333 1 25 LEU H 1 26 GLU H 4.350 . 4.350 4.393 4.147 4.517 0.167 2 0 "[ . 1 . 2]" 1
334 1 25 LEU H 1 29 THR MG 6.520 . 6.520 5.462 4.842 6.320 . 0 0 "[ . 1 . 2]" 1
335 1 25 LEU HA 1 25 LEU MD1 4.720 . 4.720 2.388 1.794 3.821 . 0 0 "[ . 1 . 2]" 1
336 1 25 LEU HA 1 26 GLU H 2.860 . 2.860 2.247 2.117 2.488 . 0 0 "[ . 1 . 2]" 1
337 1 25 LEU HA 1 26 GLU QB 5.230 . 5.230 4.208 3.965 4.643 . 0 0 "[ . 1 . 2]" 1
338 1 25 LEU HA 1 29 THR MG 6.210 . 6.210 3.757 2.781 4.754 . 0 0 "[ . 1 . 2]" 1
339 1 25 LEU QB 1 26 GLU H 3.950 . 3.950 3.180 2.151 3.785 . 0 0 "[ . 1 . 2]" 1
340 1 25 LEU QB 1 26 GLU HA 5.730 . 5.730 4.522 4.094 4.829 . 0 0 "[ . 1 . 2]" 1
341 1 25 LEU QB 1 29 THR HB 6.380 . 6.380 5.204 2.004 6.477 0.097 18 0 "[ . 1 . 2]" 1
342 1 25 LEU QB 1 30 PHE QB 6.220 . 6.220 2.999 2.308 4.324 . 0 0 "[ . 1 . 2]" 1
343 1 25 LEU QB 1 30 PHE QD 8.510 . 8.510 4.003 2.635 5.808 . 0 0 "[ . 1 . 2]" 1
344 1 25 LEU HB2 1 26 GLU H 4.510 . 4.510 3.959 2.173 4.504 . 0 0 "[ . 1 . 2]" 1
345 1 25 LEU HB2 1 30 PHE H 5.500 . 5.500 5.185 3.571 5.797 0.297 1 0 "[ . 1 . 2]" 1
346 1 25 LEU HB2 1 30 PHE HB2 7.260 . 7.260 4.175 2.864 4.753 . 0 0 "[ . 1 . 2]" 1
347 1 25 LEU HB2 1 30 PHE HB3 7.260 . 7.260 5.744 4.601 6.288 . 0 0 "[ . 1 . 2]" 1
348 1 25 LEU HB3 1 26 GLU H 4.510 . 4.510 3.523 2.392 4.118 . 0 0 "[ . 1 . 2]" 1
349 1 25 LEU HB3 1 30 PHE H 5.500 . 5.500 4.314 3.007 5.629 0.129 9 0 "[ . 1 . 2]" 1
350 1 25 LEU HB3 1 30 PHE HB2 7.260 . 7.260 3.352 2.339 5.752 . 0 0 "[ . 1 . 2]" 1
351 1 25 LEU HB3 1 30 PHE HB3 7.260 . 7.260 4.858 4.083 7.038 . 0 0 "[ . 1 . 2]" 1
352 1 25 LEU MD1 1 26 GLU H 5.430 . 5.430 3.385 2.608 4.373 . 0 0 "[ . 1 . 2]" 1
353 1 25 LEU MD1 1 29 THR H 6.520 . 6.520 5.320 3.775 6.612 0.092 2 0 "[ . 1 . 2]" 1
354 1 25 LEU MD1 1 29 THR HB 5.430 . 5.430 4.515 2.302 5.495 0.065 8 0 "[ . 1 . 2]" 1
355 1 25 LEU MD1 1 29 THR MG 5.520 . 5.520 2.669 1.722 4.087 . 0 0 "[ . 1 . 2]" 1
356 1 25 LEU MD2 1 26 GLU H 6.520 . 6.520 4.406 3.363 4.941 . 0 0 "[ . 1 . 2]" 1
357 1 25 LEU MD2 1 29 THR HA 6.520 . 6.520 5.127 4.373 5.717 . 0 0 "[ . 1 . 2]" 1
358 1 25 LEU MD2 1 29 THR HB 6.520 . 6.520 4.396 2.269 5.283 . 0 0 "[ . 1 . 2]" 1
359 1 25 LEU MD2 1 29 THR MG 7.540 . 7.540 2.386 1.897 2.930 . 0 0 "[ . 1 . 2]" 1
360 1 25 LEU MD2 1 30 PHE H 6.520 . 6.520 3.551 2.959 4.796 . 0 0 "[ . 1 . 2]" 1
361 1 25 LEU MD2 1 30 PHE HA 4.970 . 4.970 2.877 1.848 4.975 0.005 20 0 "[ . 1 . 2]" 1
362 1 25 LEU HG 1 26 GLU H 5.500 . 5.500 3.457 2.086 4.890 . 0 0 "[ . 1 . 2]" 1
363 1 25 LEU HG 1 30 PHE H 5.500 . 5.500 4.112 2.752 5.580 0.080 20 0 "[ . 1 . 2]" 1
364 1 26 GLU H 1 26 GLU HB2 3.420 . 3.420 2.473 2.053 3.585 0.165 1 0 "[ . 1 . 2]" 1
365 1 26 GLU H 1 26 GLU QB 3.150 . 3.150 2.243 2.019 2.875 . 0 0 "[ . 1 . 2]" 1
366 1 26 GLU H 1 26 GLU HB3 3.420 . 3.420 3.077 2.395 3.561 0.141 20 0 "[ . 1 . 2]" 1
367 1 26 GLU H 1 26 GLU HG2 4.140 . 4.140 3.489 1.974 4.138 . 0 0 "[ . 1 . 2]" 1
368 1 26 GLU H 1 26 GLU QG 3.870 . 3.870 2.944 1.667 3.774 . 0 0 "[ . 1 . 2]" 1
369 1 26 GLU H 1 26 GLU HG3 4.140 . 4.140 3.524 1.674 4.386 0.246 11 0 "[ . 1 . 2]" 1
370 1 26 GLU H 1 27 ILE H 4.820 . 4.820 4.585 4.503 4.619 . 0 0 "[ . 1 . 2]" 1
371 1 26 GLU H 1 29 THR MG 6.050 . 6.050 3.018 2.301 4.419 . 0 0 "[ . 1 . 2]" 1
372 1 26 GLU HA 1 26 GLU HG2 3.790 . 3.790 2.746 2.240 4.050 0.260 1 0 "[ . 1 . 2]" 1
373 1 26 GLU HA 1 26 GLU HG3 3.790 . 3.790 3.432 2.752 3.728 . 0 0 "[ . 1 . 2]" 1
374 1 26 GLU HA 1 27 ILE H 2.830 . 2.830 2.328 2.194 2.484 . 0 0 "[ . 1 . 2]" 1
375 1 26 GLU HA 1 27 ILE HB 5.440 . 5.440 4.851 4.695 4.999 . 0 0 "[ . 1 . 2]" 1
376 1 26 GLU HA 1 27 ILE MG 6.520 . 6.520 5.532 5.458 5.597 . 0 0 "[ . 1 . 2]" 1
377 1 26 GLU HA 1 28 GLY H 4.970 . 4.970 4.195 4.008 4.471 . 0 0 "[ . 1 . 2]" 1
378 1 26 GLU QB 1 27 ILE H 3.820 . 3.820 2.835 2.217 3.317 . 0 0 "[ . 1 . 2]" 1
379 1 26 GLU QB 1 27 ILE HA 5.820 . 5.820 4.591 4.388 4.831 . 0 0 "[ . 1 . 2]" 1
380 1 26 GLU QB 1 28 GLY H 5.420 . 5.420 2.753 2.352 3.143 . 0 0 "[ . 1 . 2]" 1
381 1 26 GLU QB 1 29 THR MG 7.400 . 7.400 3.068 1.754 4.632 . 0 0 "[ . 1 . 2]" 1
382 1 26 GLU HB2 1 27 ILE H 4.040 . 4.040 3.714 2.241 4.173 0.133 9 0 "[ . 1 . 2]" 1
383 1 26 GLU HB2 1 29 THR H 5.500 . 5.500 3.800 2.608 4.835 . 0 0 "[ . 1 . 2]" 1
384 1 26 GLU HB3 1 27 ILE H 4.040 . 4.040 3.169 2.305 4.045 0.005 5 0 "[ . 1 . 2]" 1
385 1 26 GLU HB3 1 29 THR H 5.500 . 5.500 3.456 2.263 5.610 0.110 1 0 "[ . 1 . 2]" 1
386 1 26 GLU QG 1 27 ILE H 4.520 . 4.520 3.513 2.874 4.166 . 0 0 "[ . 1 . 2]" 1
387 1 26 GLU HG2 1 27 ILE H 4.660 . 4.660 3.870 2.947 4.812 0.152 14 0 "[ . 1 . 2]" 1
388 1 26 GLU HG3 1 27 ILE H 4.660 . 4.660 4.277 3.651 4.764 0.104 3 0 "[ . 1 . 2]" 1
389 1 27 ILE H 1 27 ILE HB 2.930 . 2.930 2.531 2.424 2.591 . 0 0 "[ . 1 . 2]" 1
390 1 27 ILE H 1 27 ILE MD 5.400 . 5.400 3.322 3.077 3.735 . 0 0 "[ . 1 . 2]" 1
391 1 27 ILE H 1 27 ILE HG12 4.230 . 4.230 2.508 2.046 3.406 . 0 0 "[ . 1 . 2]" 1
392 1 27 ILE H 1 27 ILE QG 4.080 . 4.080 2.124 1.944 2.288 . 0 0 "[ . 1 . 2]" 1
393 1 27 ILE H 1 27 ILE HG13 4.230 . 4.230 3.172 1.960 3.709 . 0 0 "[ . 1 . 2]" 1
394 1 27 ILE H 1 28 GLY H 3.860 . 3.860 2.606 2.407 2.795 . 0 0 "[ . 1 . 2]" 1
395 1 27 ILE HA 1 30 PHE H 3.920 . 3.920 3.547 3.295 3.745 . 0 0 "[ . 1 . 2]" 1
396 1 27 ILE HA 1 30 PHE HB2 3.550 . 3.550 3.429 3.161 3.599 0.049 6 0 "[ . 1 . 2]" 1
397 1 27 ILE HA 1 30 PHE HB3 3.550 . 3.550 2.397 2.031 3.001 . 0 0 "[ . 1 . 2]" 1
398 1 27 ILE HA 1 31 ARG H 5.040 . 5.040 3.633 3.291 3.870 . 0 0 "[ . 1 . 2]" 1
399 1 27 ILE HA 1 31 ARG QG 6.130 . 6.130 5.239 4.249 6.134 0.004 10 0 "[ . 1 . 2]" 1
400 1 27 ILE HB 1 28 GLY H 3.760 . 3.760 2.792 2.596 3.038 . 0 0 "[ . 1 . 2]" 1
401 1 27 ILE MD 1 28 GLY H 6.520 . 6.520 4.654 4.591 4.855 . 0 0 "[ . 1 . 2]" 1
402 1 27 ILE MD 1 30 PHE QB 7.400 . 7.400 3.833 2.979 5.596 . 0 0 "[ . 1 . 2]" 1
403 1 27 ILE MD 1 30 PHE QD 8.460 . 8.460 3.903 2.472 6.139 . 0 0 "[ . 1 . 2]" 1
404 1 27 ILE MD 1 31 ARG H 6.520 . 6.520 5.201 4.352 6.412 . 0 0 "[ . 1 . 2]" 1
405 1 27 ILE MD 1 31 ARG HD2 6.520 . 6.520 5.747 4.779 6.565 0.045 4 0 "[ . 1 . 2]" 1
406 1 27 ILE MD 1 31 ARG HD3 6.520 . 6.520 6.076 4.782 6.576 0.056 16 0 "[ . 1 . 2]" 1
407 1 27 ILE MD 1 31 ARG QG 7.370 . 7.370 5.657 4.933 6.332 . 0 0 "[ . 1 . 2]" 1
408 1 27 ILE QG 1 31 ARG QB 5.990 . 5.990 5.400 5.055 5.957 . 0 0 "[ . 1 . 2]" 1
409 1 27 ILE QG 1 31 ARG QG 7.260 . 7.260 6.246 5.489 7.103 . 0 0 "[ . 1 . 2]" 1
410 1 27 ILE HG12 1 28 GLY H 5.500 . 5.500 4.498 4.158 5.008 . 0 0 "[ . 1 . 2]" 1
411 1 27 ILE HG13 1 28 GLY H 5.500 . 5.500 4.828 4.126 5.263 . 0 0 "[ . 1 . 2]" 1
412 1 27 ILE MG 1 28 GLY H 6.050 . 6.050 3.572 3.342 3.780 . 0 0 "[ . 1 . 2]" 1
413 1 27 ILE MG 1 30 PHE QB 7.400 . 7.400 3.473 3.071 3.923 . 0 0 "[ . 1 . 2]" 1
414 1 27 ILE MG 1 30 PHE QD 8.650 . 8.650 3.365 2.630 5.275 . 0 0 "[ . 1 . 2]" 1
415 1 27 ILE MG 1 31 ARG H 6.520 . 6.520 3.527 3.094 3.887 . 0 0 "[ . 1 . 2]" 1
416 1 27 ILE MG 1 31 ARG QD 7.400 . 7.400 2.644 1.860 3.148 . 0 0 "[ . 1 . 2]" 1
417 1 28 GLY H 1 29 THR H 3.610 . 3.610 2.902 2.643 3.064 . 0 0 "[ . 1 . 2]" 1
418 1 28 GLY QA 1 31 ARG H 5.980 . 5.980 3.833 3.411 4.092 . 0 0 "[ . 1 . 2]" 1
419 1 28 GLY QA 1 31 ARG QD 6.320 . 6.320 3.411 2.101 4.431 . 0 0 "[ . 1 . 2]" 1
420 1 28 GLY QA 1 32 HIS H 5.450 . 5.450 4.358 3.900 5.005 . 0 0 "[ . 1 . 2]" 1
421 1 28 GLY HA2 1 31 ARG HD2 7.260 . 7.260 4.527 3.124 5.506 . 0 0 "[ . 1 . 2]" 1
422 1 28 GLY HA2 1 31 ARG HD3 7.260 . 7.260 3.704 2.150 5.522 . 0 0 "[ . 1 . 2]" 1
423 1 28 GLY HA3 1 31 ARG HD2 7.260 . 7.260 6.240 4.864 7.207 . 0 0 "[ . 1 . 2]" 1
424 1 28 GLY HA3 1 31 ARG HD3 7.260 . 7.260 5.410 3.767 7.273 0.013 16 0 "[ . 1 . 2]" 1
425 1 29 THR H 1 29 THR HB 3.480 . 3.480 2.706 2.544 2.875 . 0 0 "[ . 1 . 2]" 1
426 1 29 THR H 1 30 PHE H 3.480 . 3.480 2.563 2.429 2.751 . 0 0 "[ . 1 . 2]" 1
427 1 29 THR HA 1 32 HIS H 4.690 . 4.690 3.462 3.036 3.918 . 0 0 "[ . 1 . 2]" 1
428 1 29 THR HB 1 30 PHE H 4.110 . 4.110 3.695 2.323 4.109 . 0 0 "[ . 1 . 2]" 1
429 1 29 THR MG 1 30 PHE H 5.500 . 5.500 2.369 1.777 3.790 . 0 0 "[ . 1 . 2]" 1
430 1 29 THR MG 1 30 PHE QD 8.650 . 8.650 4.735 3.950 5.639 . 0 0 "[ . 1 . 2]" 1
431 1 29 THR MG 1 31 ARG H 6.520 . 6.520 4.637 4.291 5.526 . 0 0 "[ . 1 . 2]" 1
432 1 30 PHE H 1 30 PHE HB2 3.300 . 3.300 2.491 2.232 2.609 . 0 0 "[ . 1 . 2]" 1
433 1 30 PHE H 1 30 PHE HB3 3.300 . 3.300 2.531 2.372 2.829 . 0 0 "[ . 1 . 2]" 1
434 1 30 PHE H 1 31 ARG H 3.550 . 3.550 2.855 2.674 3.053 . 0 0 "[ . 1 . 2]" 1
435 1 30 PHE QB 1 31 ARG H 3.730 . 3.730 2.424 2.292 2.590 . 0 0 "[ . 1 . 2]" 1
436 1 30 PHE HB2 1 31 ARG H 3.980 . 3.980 3.803 3.542 3.942 . 0 0 "[ . 1 . 2]" 1
437 1 30 PHE HB3 1 31 ARG H 3.980 . 3.980 2.452 2.313 2.627 . 0 0 "[ . 1 . 2]" 1
438 1 30 PHE QD 1 31 ARG H 7.630 . 7.630 3.489 3.057 4.111 . 0 0 "[ . 1 . 2]" 1
439 1 30 PHE QD 1 31 ARG QG 8.510 . 8.510 4.746 4.094 5.624 . 0 0 "[ . 1 . 2]" 1
440 1 31 ARG H 1 31 ARG HB2 3.640 . 3.640 2.931 2.179 3.636 . 0 0 "[ . 1 . 2]" 1
441 1 31 ARG H 1 31 ARG QB 3.390 . 3.390 2.318 2.097 2.601 . 0 0 "[ . 1 . 2]" 1
442 1 31 ARG H 1 31 ARG HB3 3.640 . 3.640 2.635 2.396 2.763 . 0 0 "[ . 1 . 2]" 1
443 1 31 ARG H 1 31 ARG HD2 5.500 . 5.500 4.634 3.894 5.008 . 0 0 "[ . 1 . 2]" 1
444 1 31 ARG H 1 31 ARG HD3 5.500 . 5.500 4.555 3.690 5.681 0.181 16 0 "[ . 1 . 2]" 1
445 1 31 ARG H 1 31 ARG HG2 4.480 . 4.480 3.380 2.034 4.537 0.057 5 0 "[ . 1 . 2]" 1
446 1 31 ARG H 1 31 ARG QG 4.130 . 4.130 3.050 2.012 3.919 . 0 0 "[ . 1 . 2]" 1
447 1 31 ARG H 1 31 ARG HG3 4.480 . 4.480 3.822 3.120 4.291 . 0 0 "[ . 1 . 2]" 1
448 1 31 ARG H 1 32 HIS H 3.550 . 3.550 2.598 2.422 2.764 . 0 0 "[ . 1 . 2]" 1
449 1 31 ARG HA 1 31 ARG HD2 5.500 . 5.500 4.523 4.297 4.896 . 0 0 "[ . 1 . 2]" 1
450 1 31 ARG HA 1 31 ARG HD3 5.500 . 5.500 4.859 4.503 5.526 0.026 6 0 "[ . 1 . 2]" 1
451 1 31 ARG HA 1 31 ARG HG2 4.110 . 4.110 3.341 2.848 3.837 . 0 0 "[ . 1 . 2]" 1
452 1 31 ARG HA 1 31 ARG QG 3.810 . 3.810 2.838 2.310 3.358 . 0 0 "[ . 1 . 2]" 1
453 1 31 ARG HA 1 31 ARG HG3 4.110 . 4.110 3.094 2.424 3.786 . 0 0 "[ . 1 . 2]" 1
454 1 31 ARG HA 1 34 LYS QB 4.430 . 4.430 2.204 1.416 3.929 . 0 0 "[ . 1 . 2]" 1
455 1 31 ARG HA 1 34 LYS HD2 5.500 . 5.500 3.436 2.150 4.851 . 0 0 "[ . 1 . 2]" 1
456 1 31 ARG HA 1 34 LYS HD3 5.500 . 5.500 3.645 2.486 5.194 . 0 0 "[ . 1 . 2]" 1
457 1 31 ARG HA 1 34 LYS HE2 5.500 . 5.500 5.064 3.114 5.619 0.119 9 0 "[ . 1 . 2]" 1
458 1 31 ARG HA 1 34 LYS HE3 5.500 . 5.500 4.854 1.955 5.607 0.107 11 0 "[ . 1 . 2]" 1
459 1 31 ARG HA 1 34 LYS QG 6.380 . 6.380 3.285 1.660 4.376 . 0 0 "[ . 1 . 2]" 1
460 1 31 ARG HA 1 35 SER H 5.470 . 5.470 4.488 2.439 5.556 0.086 10 0 "[ . 1 . 2]" 1
461 1 31 ARG HB2 1 32 HIS H 5.160 . 5.160 3.981 3.745 4.269 . 0 0 "[ . 1 . 2]" 1
462 1 31 ARG HB3 1 32 HIS H 5.160 . 5.160 3.522 2.757 4.266 . 0 0 "[ . 1 . 2]" 1
463 1 31 ARG QG 1 32 HIS H 6.380 . 6.380 3.394 2.429 4.311 . 0 0 "[ . 1 . 2]" 1
464 1 33 HIS HB2 1 34 LYS H 5.500 . 5.500 4.159 2.207 4.585 . 0 0 "[ . 1 . 2]" 1
465 1 33 HIS HB3 1 34 LYS H 5.500 . 5.500 4.350 3.215 4.651 . 0 0 "[ . 1 . 2]" 1
466 1 34 LYS H 1 34 LYS HB2 3.420 . 3.420 2.720 2.138 3.618 0.198 7 0 "[ . 1 . 2]" 1
467 1 34 LYS H 1 34 LYS HB3 3.420 . 3.420 2.629 2.337 3.524 0.104 14 0 "[ . 1 . 2]" 1
468 1 34 LYS H 1 34 LYS HD2 5.500 . 5.500 4.847 4.193 5.188 . 0 0 "[ . 1 . 2]" 1
469 1 34 LYS H 1 34 LYS HD3 5.500 . 5.500 4.700 3.710 5.792 0.292 6 0 "[ . 1 . 2]" 1
470 1 34 LYS H 1 34 LYS HG2 5.500 . 5.500 3.939 1.840 4.631 . 0 0 "[ . 1 . 2]" 1
471 1 34 LYS H 1 34 LYS HG3 5.500 . 5.500 4.170 1.892 4.655 . 0 0 "[ . 1 . 2]" 1
472 1 34 LYS H 1 35 SER H 3.240 . 3.240 2.568 2.194 2.996 . 0 0 "[ . 1 . 2]" 1
473 1 34 LYS HA 1 34 LYS HD2 5.500 . 5.500 4.268 2.083 5.238 . 0 0 "[ . 1 . 2]" 1
474 1 34 LYS HA 1 34 LYS HD3 5.500 . 5.500 4.136 1.938 5.534 0.034 7 0 "[ . 1 . 2]" 1
475 1 34 LYS HA 1 34 LYS HE2 5.500 . 5.500 5.028 4.090 5.855 0.355 10 0 "[ . 1 . 2]" 1
476 1 34 LYS HA 1 34 LYS HE3 5.500 . 5.500 5.142 4.328 5.834 0.334 10 0 "[ . 1 . 2]" 1
477 1 34 LYS QB 1 35 SER H 3.630 . 3.630 2.507 1.878 3.498 . 0 0 "[ . 1 . 2]" 1
478 1 34 LYS HB2 1 34 LYS HE2 5.500 . 5.500 4.410 1.971 5.404 . 0 0 "[ . 1 . 2]" 1
479 1 34 LYS HB2 1 34 LYS HE3 5.500 . 5.500 4.128 1.910 4.737 . 0 0 "[ . 1 . 2]" 1
480 1 34 LYS HB2 1 35 SER H 3.890 . 3.890 3.599 2.226 3.958 0.068 17 0 "[ . 1 . 2]" 1
481 1 34 LYS HB3 1 34 LYS HE2 5.500 . 5.500 4.319 3.503 5.487 . 0 0 "[ . 1 . 2]" 1
482 1 34 LYS HB3 1 34 LYS HE3 5.500 . 5.500 4.296 2.768 4.696 . 0 0 "[ . 1 . 2]" 1
483 1 34 LYS HB3 1 35 SER H 3.890 . 3.890 2.678 1.886 4.023 0.133 16 0 "[ . 1 . 2]" 1
484 1 34 LYS HD2 1 35 SER H 5.500 . 5.500 4.720 3.404 5.535 0.035 17 0 "[ . 1 . 2]" 1
485 1 34 LYS HD3 1 35 SER H 5.500 . 5.500 4.245 2.395 5.518 0.018 6 0 "[ . 1 . 2]" 1
486 1 34 LYS HG2 1 35 SER H 5.500 . 5.500 3.753 2.815 4.965 . 0 0 "[ . 1 . 2]" 1
487 1 34 LYS HG3 1 35 SER H 5.500 . 5.500 4.222 1.905 5.406 . 0 0 "[ . 1 . 2]" 1
488 1 35 SER H 1 36 CYS H 3.920 . 3.920 2.552 2.158 2.980 . 0 0 "[ . 1 . 2]" 1
489 1 35 SER HA 1 38 ARG H 5.220 . 5.220 3.632 3.286 4.019 . 0 0 "[ . 1 . 2]" 1
490 1 35 SER HA 1 38 ARG HB2 4.420 . 4.420 3.023 2.213 3.990 . 0 0 "[ . 1 . 2]" 1
491 1 35 SER HA 1 38 ARG HB3 4.660 . 4.660 3.511 2.497 4.703 0.043 3 0 "[ . 1 . 2]" 1
492 1 36 CYS HA 1 39 LYS H 4.010 . 4.010 3.900 3.264 4.082 0.072 4 0 "[ . 1 . 2]" 1
493 1 36 CYS HB2 1 37 MET H 3.270 . 3.270 2.235 1.809 3.420 0.150 9 0 "[ . 1 . 2]" 1
494 1 36 CYS HB3 1 37 MET H 3.270 . 3.270 3.161 2.042 3.404 0.134 14 0 "[ . 1 . 2]" 1
495 1 37 MET H 1 37 MET HB2 3.700 . 3.700 2.586 2.060 3.595 . 0 0 "[ . 1 . 2]" 1
496 1 37 MET H 1 37 MET HB3 3.700 . 3.700 3.369 2.496 3.615 . 0 0 "[ . 1 . 2]" 1
497 1 37 MET H 1 38 ARG H 3.420 . 3.420 2.663 2.465 2.904 . 0 0 "[ . 1 . 2]" 1
498 1 37 MET HA 1 40 PHE QB 5.020 . 5.020 3.196 2.082 4.897 . 0 0 "[ . 1 . 2]" 1
499 1 37 MET QB 1 38 ARG H 4.470 . 4.470 2.876 2.377 3.566 . 0 0 "[ . 1 . 2]" 1
500 1 37 MET HB2 1 38 ARG H 4.910 . 4.910 3.118 2.423 4.074 . 0 0 "[ . 1 . 2]" 1
501 1 37 MET HB3 1 38 ARG H 4.910 . 4.910 3.714 2.910 4.139 . 0 0 "[ . 1 . 2]" 1
502 1 37 MET ME 1 82 ILE HA 6.520 . 6.520 5.101 2.901 6.563 0.043 2 0 "[ . 1 . 2]" 1
503 1 37 MET ME 1 82 ILE MD 7.540 . 7.540 5.114 2.483 6.951 . 0 0 "[ . 1 . 2]" 1
504 1 37 MET ME 1 82 ILE QG 7.400 . 7.400 4.239 2.034 6.083 . 0 0 "[ . 1 . 2]" 1
505 1 37 MET ME 1 82 ILE MG 7.540 . 7.540 5.795 3.777 7.291 . 0 0 "[ . 1 . 2]" 1
506 1 38 ARG H 1 38 ARG HB2 3.270 . 3.270 2.256 2.116 2.452 . 0 0 "[ . 1 . 2]" 1
507 1 38 ARG H 1 38 ARG HB3 3.420 . 3.420 3.055 2.629 3.536 0.116 9 0 "[ . 1 . 2]" 1
508 1 38 ARG H 1 38 ARG HD2 5.500 . 5.500 4.722 2.939 5.622 0.122 1 0 "[ . 1 . 2]" 1
509 1 38 ARG H 1 38 ARG HD3 5.500 . 5.500 4.671 2.880 5.533 0.033 7 0 "[ . 1 . 2]" 1
510 1 38 ARG H 1 38 ARG HG2 5.500 . 5.500 4.111 2.713 4.622 . 0 0 "[ . 1 . 2]" 1
511 1 38 ARG H 1 38 ARG HG3 5.500 . 5.500 4.088 2.815 4.533 . 0 0 "[ . 1 . 2]" 1
512 1 38 ARG H 1 39 LYS H 3.390 . 3.390 2.568 2.323 2.711 . 0 0 "[ . 1 . 2]" 1
513 1 38 ARG HB2 1 39 LYS H 3.420 . 3.420 3.361 2.852 3.679 0.259 14 0 "[ . 1 . 2]" 1
514 1 38 ARG HB3 1 39 LYS H 3.830 . 3.830 2.903 2.260 3.791 . 0 0 "[ . 1 . 2]" 1
515 1 39 LYS H 1 39 LYS HD2 5.500 . 5.500 4.725 3.823 5.811 0.311 2 0 "[ . 1 . 2]" 1
516 1 39 LYS H 1 39 LYS HD3 5.500 . 5.500 5.021 3.333 5.794 0.294 13 0 "[ . 1 . 2]" 1
517 1 39 LYS H 1 39 LYS HE2 5.500 . 5.500 4.749 3.645 5.672 0.172 19 0 "[ . 1 . 2]" 1
518 1 39 LYS H 1 39 LYS HE3 5.500 . 5.500 5.083 3.981 5.598 0.098 14 0 "[ . 1 . 2]" 1
519 1 39 LYS H 1 40 PHE H 3.240 . 3.240 2.619 2.215 3.056 . 0 0 "[ . 1 . 2]" 1
520 1 39 LYS HA 1 39 LYS HD2 5.500 . 5.500 4.087 2.365 5.112 . 0 0 "[ . 1 . 2]" 1
521 1 39 LYS HA 1 39 LYS HD3 5.500 . 5.500 4.401 2.963 4.990 . 0 0 "[ . 1 . 2]" 1
522 1 39 LYS HA 1 41 LYS H 4.720 . 4.720 3.955 3.121 4.824 0.104 3 0 "[ . 1 . 2]" 1
523 1 39 LYS HB2 1 40 PHE H 5.500 . 5.500 3.781 1.930 4.330 . 0 0 "[ . 1 . 2]" 1
524 1 39 LYS HB2 1 41 LYS H 5.500 . 5.500 5.365 4.627 5.658 0.158 19 0 "[ . 1 . 2]" 1
525 1 39 LYS HB3 1 40 PHE H 5.500 . 5.500 2.989 2.099 4.474 . 0 0 "[ . 1 . 2]" 1
526 1 39 LYS HB3 1 41 LYS H 5.500 . 5.500 4.986 4.285 5.576 0.076 14 0 "[ . 1 . 2]" 1
527 1 39 LYS HD2 1 40 PHE H 5.500 . 5.500 4.358 3.190 5.636 0.136 8 0 "[ . 1 . 2]" 1
528 1 39 LYS HD3 1 40 PHE H 5.500 . 5.500 4.850 2.538 5.624 0.124 4 0 "[ . 1 . 2]" 1
529 1 39 LYS HE2 1 40 PHE H 5.500 . 5.500 4.596 2.921 5.616 0.116 17 0 "[ . 1 . 2]" 1
530 1 39 LYS HE3 1 40 PHE H 5.500 . 5.500 4.516 3.123 5.595 0.095 8 0 "[ . 1 . 2]" 1
531 1 39 LYS HG2 1 40 PHE H 5.500 . 5.500 4.158 2.835 4.969 . 0 0 "[ . 1 . 2]" 1
532 1 39 LYS HG3 1 40 PHE H 5.500 . 5.500 4.501 2.934 5.463 . 0 0 "[ . 1 . 2]" 1
533 1 40 PHE H 1 40 PHE HB2 3.240 . 3.240 2.406 2.059 2.665 . 0 0 "[ . 1 . 2]" 1
534 1 40 PHE H 1 40 PHE QB 3.040 . 3.040 2.216 2.032 2.281 . 0 0 "[ . 1 . 2]" 1
535 1 40 PHE H 1 40 PHE HB3 3.240 . 3.240 2.722 2.463 3.405 0.165 16 0 "[ . 1 . 2]" 1
536 1 40 PHE H 1 41 LYS H 3.210 . 3.210 2.625 2.406 3.011 . 0 0 "[ . 1 . 2]" 1
537 1 40 PHE HB2 1 41 LYS H 4.070 . 4.070 3.969 3.638 4.235 0.165 12 0 "[ . 1 . 2]" 1
538 1 40 PHE HB3 1 41 LYS H 4.070 . 4.070 3.110 2.348 4.066 . 0 0 "[ . 1 . 2]" 1
539 1 40 PHE QD 1 41 LYS H 7.630 . 7.630 4.238 3.444 4.983 . 0 0 "[ . 1 . 2]" 1
540 1 41 LYS H 1 42 GLU H 3.700 . 3.700 3.386 2.595 3.934 0.234 20 0 "[ . 1 . 2]" 1
541 1 41 LYS HA 1 42 GLU H 3.080 . 3.080 2.426 2.067 3.205 0.125 6 0 "[ . 1 . 2]" 1
542 1 42 GLU H 1 42 GLU HB2 3.550 . 3.550 3.014 2.314 3.693 0.143 14 0 "[ . 1 . 2]" 1
543 1 42 GLU H 1 42 GLU HB3 3.550 . 3.550 3.190 2.592 3.636 0.086 6 0 "[ . 1 . 2]" 1
544 1 42 GLU H 1 42 GLU HG2 4.170 . 4.170 2.500 1.625 3.864 . 0 0 "[ . 1 . 2]" 1
545 1 42 GLU H 1 42 GLU QG 3.990 . 3.990 2.171 1.618 2.846 . 0 0 "[ . 1 . 2]" 1
546 1 42 GLU H 1 42 GLU HG3 4.170 . 4.170 3.117 1.984 4.056 . 0 0 "[ . 1 . 2]" 1
547 1 46 GLY H 1 47 LEU H 3.860 . 3.860 3.282 2.119 3.987 0.127 20 0 "[ . 1 . 2]" 1
548 1 47 LEU H 1 47 LEU HB2 3.700 . 3.700 3.118 2.252 3.728 0.028 11 0 "[ . 1 . 2]" 1
549 1 47 LEU H 1 47 LEU QB 3.380 . 3.380 2.641 2.175 3.034 . 0 0 "[ . 1 . 2]" 1
550 1 47 LEU H 1 47 LEU HB3 3.700 . 3.700 2.959 2.500 3.706 0.006 1 0 "[ . 1 . 2]" 1
551 1 47 LEU H 1 47 LEU MD1 5.810 . 5.810 3.878 1.566 4.917 . 0 0 "[ . 1 . 2]" 1
552 1 47 LEU H 1 47 LEU MD2 5.650 . 5.650 4.127 3.345 4.873 . 0 0 "[ . 1 . 2]" 1
553 1 47 LEU H 1 47 LEU HG 5.500 . 5.500 4.546 3.658 5.328 . 0 0 "[ . 1 . 2]" 1
554 1 47 LEU H 1 48 GLN H 4.970 . 4.970 4.207 3.601 4.614 . 0 0 "[ . 1 . 2]" 1
555 1 47 LEU HA 1 48 GLN H 2.800 . 2.800 2.198 2.029 2.459 . 0 0 "[ . 1 . 2]" 1
556 1 47 LEU HA 1 48 GLN HE21 5.500 . 5.500 4.231 2.999 5.192 . 0 0 "[ . 1 . 2]" 1
557 1 47 LEU HA 1 48 GLN HE22 5.500 . 5.500 4.467 2.909 5.561 0.061 9 0 "[ . 1 . 2]" 1
558 1 47 LEU HA 1 51 GLU QG 6.380 . 6.380 3.655 2.571 5.022 . 0 0 "[ . 1 . 2]" 1
559 1 47 LEU HB2 1 48 GLN H 5.500 . 5.500 3.970 2.413 4.589 . 0 0 "[ . 1 . 2]" 1
560 1 47 LEU HB3 1 48 GLN H 5.500 . 5.500 4.105 3.808 4.375 . 0 0 "[ . 1 . 2]" 1
561 1 47 LEU MD1 1 48 GLN H 6.520 . 6.520 3.833 2.474 5.032 . 0 0 "[ . 1 . 2]" 1
562 1 47 LEU MD1 1 56 PHE QE 8.650 . 8.650 3.836 2.434 6.646 . 0 0 "[ . 1 . 2]" 1
563 1 47 LEU MD2 1 48 GLN H 4.470 . 4.470 3.006 1.785 4.485 0.015 15 0 "[ . 1 . 2]" 1
564 1 47 LEU MD2 1 51 GLU H 6.520 . 6.520 3.946 3.463 5.157 . 0 0 "[ . 1 . 2]" 1
565 1 47 LEU MD2 1 51 GLU HA 6.520 . 6.520 4.615 4.033 5.396 . 0 0 "[ . 1 . 2]" 1
566 1 47 LEU MD2 1 51 GLU HB2 5.150 . 5.150 2.712 1.814 4.087 . 0 0 "[ . 1 . 2]" 1
567 1 47 LEU MD2 1 51 GLU HB3 4.840 . 4.840 3.150 1.807 4.034 . 0 0 "[ . 1 . 2]" 1
568 1 47 LEU MD2 1 51 GLU HG2 6.520 . 6.520 4.421 2.348 5.673 . 0 0 "[ . 1 . 2]" 1
569 1 47 LEU MD2 1 51 GLU HG3 6.520 . 6.520 4.459 2.954 5.492 . 0 0 "[ . 1 . 2]" 1
570 1 47 LEU MD2 1 52 LEU H 6.520 . 6.520 3.277 2.354 4.440 . 0 0 "[ . 1 . 2]" 1
571 1 47 LEU MD2 1 52 LEU HA 6.270 . 6.270 3.088 2.033 4.149 . 0 0 "[ . 1 . 2]" 1
572 1 47 LEU MD2 1 52 LEU HB2 6.520 . 6.520 2.617 1.715 4.051 . 0 0 "[ . 1 . 2]" 1
573 1 47 LEU MD2 1 52 LEU HB3 5.740 . 5.740 4.029 3.271 5.144 . 0 0 "[ . 1 . 2]" 1
574 1 47 LEU MD2 1 52 LEU MD1 7.200 . 7.200 4.225 3.750 4.774 . 0 0 "[ . 1 . 2]" 1
575 1 47 LEU MD2 1 52 LEU HG 6.520 . 6.520 3.824 3.315 4.482 . 0 0 "[ . 1 . 2]" 1
576 1 47 LEU MD2 1 53 THR H 6.520 . 6.520 4.822 3.882 5.968 . 0 0 "[ . 1 . 2]" 1
577 1 47 LEU MD2 1 56 PHE QE 8.060 . 8.060 3.949 2.581 5.381 . 0 0 "[ . 1 . 2]" 1
578 1 47 LEU MD2 1 86 VAL MG1 7.540 . 7.540 5.895 5.051 6.685 . 0 0 "[ . 1 . 2]" 1
579 1 47 LEU MD2 1 95 MET ME 7.540 . 7.540 5.525 4.493 6.683 . 0 0 "[ . 1 . 2]" 1
580 1 47 LEU HG 1 48 GLN H 4.480 . 4.480 3.817 2.613 4.787 0.307 17 0 "[ . 1 . 2]" 1
581 1 48 GLN H 1 48 GLN HB2 4.110 . 4.110 2.400 2.190 2.789 . 0 0 "[ . 1 . 2]" 1
582 1 48 GLN H 1 48 GLN HB3 3.520 . 3.520 3.545 3.258 3.697 0.177 2 0 "[ . 1 . 2]" 1
583 1 48 GLN H 1 48 GLN QE 6.360 . 6.360 3.408 2.624 4.564 . 0 0 "[ . 1 . 2]" 1
584 1 48 GLN H 1 48 GLN HG2 5.500 . 5.500 3.900 2.332 5.031 . 0 0 "[ . 1 . 2]" 1
585 1 48 GLN H 1 48 GLN HG3 5.500 . 5.500 4.242 3.706 4.728 . 0 0 "[ . 1 . 2]" 1
586 1 48 GLN H 1 51 GLU H 4.690 . 4.690 3.814 3.253 4.697 0.007 4 0 "[ . 1 . 2]" 1
587 1 48 GLN H 1 51 GLU HB2 3.730 . 3.730 2.637 1.627 3.791 0.061 18 0 "[ . 1 . 2]" 1
588 1 48 GLN H 1 51 GLU HB3 4.850 . 4.850 3.772 1.963 4.820 . 0 0 "[ . 1 . 2]" 1
589 1 48 GLN H 1 51 GLU HG2 5.500 . 5.500 3.476 2.005 4.990 . 0 0 "[ . 1 . 2]" 1
590 1 48 GLN H 1 51 GLU HG3 5.500 . 5.500 3.422 1.780 4.842 . 0 0 "[ . 1 . 2]" 1
591 1 48 GLN HA 1 48 GLN HE21 4.070 . 4.070 3.300 2.065 4.135 0.065 7 0 "[ . 1 . 2]" 1
592 1 48 GLN HA 1 48 GLN HE22 4.070 . 4.070 3.924 3.177 4.323 0.253 6 0 "[ . 1 . 2]" 1
593 1 48 GLN HA 1 49 PHE H 2.930 . 2.930 2.599 2.427 2.823 . 0 0 "[ . 1 . 2]" 1
594 1 48 GLN HB2 1 49 PHE H 3.420 . 3.420 3.445 2.875 3.571 0.151 8 0 "[ . 1 . 2]" 1
595 1 48 GLN HB2 1 50 HIS H 4.140 . 4.140 3.671 2.931 4.196 0.056 8 0 "[ . 1 . 2]" 1
596 1 48 GLN HB2 1 51 GLU H 4.720 . 4.720 3.682 2.856 4.731 0.011 4 0 "[ . 1 . 2]" 1
597 1 48 GLN HB3 1 49 PHE H 3.790 . 3.790 2.039 1.665 2.364 . 0 0 "[ . 1 . 2]" 1
598 1 48 GLN HB3 1 50 HIS H 4.420 . 4.420 2.848 2.383 3.738 . 0 0 "[ . 1 . 2]" 1
599 1 48 GLN HG2 1 49 PHE H 5.500 . 5.500 4.219 3.209 4.873 . 0 0 "[ . 1 . 2]" 1
600 1 48 GLN HG3 1 49 PHE H 5.500 . 5.500 3.524 2.108 4.780 . 0 0 "[ . 1 . 2]" 1
601 1 49 PHE H 1 49 PHE HB2 3.730 . 3.730 3.211 2.281 3.655 . 0 0 "[ . 1 . 2]" 1
602 1 49 PHE H 1 49 PHE HB3 3.730 . 3.730 2.850 2.384 3.625 . 0 0 "[ . 1 . 2]" 1
603 1 49 PHE HA 1 52 LEU HB3 4.720 . 4.720 3.768 2.858 4.739 0.019 4 0 "[ . 1 . 2]" 1
604 1 49 PHE HA 1 95 MET ME 5.930 . 5.930 3.905 2.992 4.807 . 0 0 "[ . 1 . 2]" 1
605 1 49 PHE HA 1 95 MET HG2 5.500 . 5.500 4.376 1.866 5.617 0.117 1 0 "[ . 1 . 2]" 1
606 1 49 PHE HA 1 95 MET HG3 5.500 . 5.500 4.787 3.315 5.516 0.016 10 0 "[ . 1 . 2]" 1
607 1 49 PHE QB 1 50 HIS H 3.570 . 3.570 3.158 2.334 3.506 . 0 0 "[ . 1 . 2]" 1
608 1 49 PHE QB 1 95 MET QB 6.320 . 6.320 4.436 3.696 5.141 . 0 0 "[ . 1 . 2]" 1
609 1 49 PHE QB 1 95 MET ME 7.400 . 7.400 3.715 3.100 4.329 . 0 0 "[ . 1 . 2]" 1
610 1 49 PHE QB 1 95 MET QG 6.020 . 6.020 3.203 2.190 4.217 . 0 0 "[ . 1 . 2]" 1
611 1 49 PHE HB2 1 50 HIS H 3.830 . 3.830 3.483 2.423 3.941 0.111 17 0 "[ . 1 . 2]" 1
612 1 49 PHE HB2 1 95 MET HB2 7.260 . 7.260 5.868 4.046 7.320 0.060 7 0 "[ . 1 . 2]" 1
613 1 49 PHE HB2 1 95 MET HB3 7.260 . 7.260 5.649 4.429 7.109 . 0 0 "[ . 1 . 2]" 1
614 1 49 PHE HB2 1 95 MET HG2 7.010 . 7.010 4.138 2.529 6.095 . 0 0 "[ . 1 . 2]" 1
615 1 49 PHE HB2 1 95 MET HG3 7.010 . 7.010 4.882 2.459 6.176 . 0 0 "[ . 1 . 2]" 1
616 1 49 PHE HB3 1 50 HIS H 3.830 . 3.830 3.801 2.356 4.030 0.200 12 0 "[ . 1 . 2]" 1
617 1 49 PHE HB3 1 95 MET HB2 7.260 . 7.260 5.932 3.879 7.065 . 0 0 "[ . 1 . 2]" 1
618 1 49 PHE HB3 1 95 MET HB3 7.260 . 7.260 5.954 5.078 6.943 . 0 0 "[ . 1 . 2]" 1
619 1 49 PHE HB3 1 95 MET HG2 7.010 . 7.010 4.026 2.701 4.962 . 0 0 "[ . 1 . 2]" 1
620 1 49 PHE HB3 1 95 MET HG3 7.010 . 7.010 4.845 2.674 6.005 . 0 0 "[ . 1 . 2]" 1
621 1 49 PHE QD 1 50 HIS H 7.630 . 7.630 3.423 2.893 4.632 . 0 0 "[ . 1 . 2]" 1
622 1 49 PHE QD 1 89 ALA MB 8.650 . 8.650 5.481 2.655 7.294 . 0 0 "[ . 1 . 2]" 1
623 1 49 PHE QD 1 95 MET ME 8.650 . 8.650 4.437 2.655 5.532 . 0 0 "[ . 1 . 2]" 1
624 1 49 PHE QD 1 95 MET HG2 7.630 . 7.630 4.603 1.841 6.473 . 0 0 "[ . 1 . 2]" 1
625 1 49 PHE QD 1 95 MET HG3 7.630 . 7.630 5.346 3.033 7.153 . 0 0 "[ . 1 . 2]" 1
626 1 50 HIS H 1 50 HIS HB2 3.950 . 3.950 2.789 2.406 3.654 . 0 0 "[ . 1 . 2]" 1
627 1 50 HIS H 1 50 HIS QB 3.680 . 3.680 2.355 2.227 2.752 . 0 0 "[ . 1 . 2]" 1
628 1 50 HIS H 1 50 HIS HB3 3.950 . 3.950 2.652 2.411 3.662 . 0 0 "[ . 1 . 2]" 1
629 1 50 HIS H 1 51 GLU H 5.500 . 5.500 2.566 2.193 3.569 . 0 0 "[ . 1 . 2]" 1
630 1 51 GLU H 1 51 GLU HB3 3.920 . 3.920 3.526 2.875 3.683 . 0 0 "[ . 1 . 2]" 1
631 1 51 GLU H 1 51 GLU QG 4.580 . 4.580 3.010 2.074 4.127 . 0 0 "[ . 1 . 2]" 1
632 1 51 GLU HA 1 51 GLU HG2 4.140 . 4.140 3.119 2.490 3.730 . 0 0 "[ . 1 . 2]" 1
633 1 51 GLU HA 1 51 GLU QG 3.840 . 3.840 2.621 2.237 3.495 . 0 0 "[ . 1 . 2]" 1
634 1 51 GLU HA 1 51 GLU HG3 4.140 . 4.140 3.112 2.345 4.219 0.079 18 0 "[ . 1 . 2]" 1
635 1 51 GLU HA 1 53 THR MG 4.940 . 4.940 3.599 3.179 4.226 . 0 0 "[ . 1 . 2]" 1
636 1 51 GLU HB2 1 52 LEU H 5.500 . 5.500 3.214 2.612 3.960 . 0 0 "[ . 1 . 2]" 1
637 1 51 GLU HB3 1 52 LEU H 4.790 . 4.790 3.820 2.614 4.532 . 0 0 "[ . 1 . 2]" 1
638 1 51 GLU HG2 1 52 LEU H 5.500 . 5.500 4.832 3.265 5.514 0.014 6 0 "[ . 1 . 2]" 1
639 1 51 GLU HG3 1 52 LEU H 5.500 . 5.500 5.008 4.236 5.434 . 0 0 "[ . 1 . 2]" 1
640 1 52 LEU H 1 52 LEU HB2 3.240 . 3.240 2.372 2.193 2.786 . 0 0 "[ . 1 . 2]" 1
641 1 52 LEU H 1 52 LEU HB3 3.170 . 3.170 2.789 2.580 2.992 . 0 0 "[ . 1 . 2]" 1
642 1 52 LEU H 1 52 LEU MD1 5.870 . 5.870 4.269 4.193 4.309 . 0 0 "[ . 1 . 2]" 1
643 1 52 LEU H 1 52 LEU HG 5.500 . 5.500 4.627 4.524 4.958 . 0 0 "[ . 1 . 2]" 1
644 1 52 LEU H 1 53 THR H 4.880 . 4.880 4.066 3.715 4.288 . 0 0 "[ . 1 . 2]" 1
645 1 52 LEU H 1 53 THR MG 6.330 . 6.330 3.715 2.926 4.010 . 0 0 "[ . 1 . 2]" 1
646 1 52 LEU H 1 95 MET ME 5.280 . 5.280 4.241 3.729 4.927 . 0 0 "[ . 1 . 2]" 1
647 1 52 LEU HA 1 53 THR H 2.800 . 2.800 2.229 2.148 2.277 . 0 0 "[ . 1 . 2]" 1
648 1 52 LEU HA 1 53 THR MG 6.360 . 6.360 4.133 3.884 4.416 . 0 0 "[ . 1 . 2]" 1
649 1 52 LEU HA 1 95 MET ME 6.520 . 6.520 4.925 4.530 5.283 . 0 0 "[ . 1 . 2]" 1
650 1 52 LEU HB2 1 53 THR H 5.380 . 5.380 4.617 4.500 4.658 . 0 0 "[ . 1 . 2]" 1
651 1 52 LEU HB2 1 56 PHE QD 7.630 . 7.630 5.579 5.193 6.654 . 0 0 "[ . 1 . 2]" 1
652 1 52 LEU HB2 1 86 VAL MG1 5.430 . 5.430 4.734 3.957 5.310 . 0 0 "[ . 1 . 2]" 1
653 1 52 LEU HB2 1 95 MET ME 4.350 . 4.350 4.017 3.571 4.382 0.032 10 0 "[ . 1 . 2]" 1
654 1 52 LEU HB3 1 53 THR H 4.630 . 4.630 4.316 4.205 4.367 . 0 0 "[ . 1 . 2]" 1
655 1 52 LEU HB3 1 95 MET ME 5.190 . 5.190 2.684 2.203 3.122 . 0 0 "[ . 1 . 2]" 1
656 1 52 LEU MD1 1 53 THR H 5.120 . 5.120 3.151 2.842 3.354 . 0 0 "[ . 1 . 2]" 1
657 1 52 LEU MD1 1 56 PHE HB2 6.520 . 6.520 4.792 3.809 5.457 . 0 0 "[ . 1 . 2]" 1
658 1 52 LEU MD1 1 56 PHE HB3 6.520 . 6.520 3.613 2.685 4.299 . 0 0 "[ . 1 . 2]" 1
659 1 52 LEU MD1 1 56 PHE QD 8.620 . 8.620 3.626 2.535 4.544 . 0 0 "[ . 1 . 2]" 1
660 1 52 LEU MD1 1 56 PHE QE 8.650 . 8.650 4.743 3.385 5.797 . 0 0 "[ . 1 . 2]" 1
661 1 52 LEU MD1 1 57 LEU H 6.520 . 6.520 4.370 3.803 4.736 . 0 0 "[ . 1 . 2]" 1
662 1 52 LEU MD1 1 57 LEU MD1 6.210 . 6.210 3.605 3.193 4.030 . 0 0 "[ . 1 . 2]" 1
663 1 52 LEU MD1 1 57 LEU MD2 7.440 . 7.440 2.064 1.816 2.372 . 0 0 "[ . 1 . 2]" 1
664 1 52 LEU MD1 1 57 LEU HG 4.910 . 4.910 3.956 3.514 4.327 . 0 0 "[ . 1 . 2]" 1
665 1 52 LEU MD1 1 82 ILE QG 7.000 . 7.000 5.792 5.153 6.727 . 0 0 "[ . 1 . 2]" 1
666 1 52 LEU MD1 1 82 ILE MG 7.200 . 7.200 3.161 2.520 3.987 . 0 0 "[ . 1 . 2]" 1
667 1 52 LEU MD1 1 83 LYS H 6.520 . 6.520 5.833 5.002 6.568 0.048 6 0 "[ . 1 . 2]" 1
668 1 52 LEU MD1 1 83 LYS HA 6.520 . 6.520 4.624 3.769 5.336 . 0 0 "[ . 1 . 2]" 1
669 1 52 LEU MD1 1 86 VAL HB 5.990 . 5.990 3.968 3.468 4.491 . 0 0 "[ . 1 . 2]" 1
670 1 52 LEU MD1 1 86 VAL MG1 7.010 . 7.010 2.483 2.018 3.307 . 0 0 "[ . 1 . 2]" 1
671 1 52 LEU MD1 1 86 VAL MG2 5.680 . 5.680 2.237 1.887 2.630 . 0 0 "[ . 1 . 2]" 1
672 1 52 LEU MD1 1 95 MET ME 7.540 . 7.540 2.813 2.025 4.296 . 0 0 "[ . 1 . 2]" 1
673 1 52 LEU MD1 1 99 PRO QB 7.400 . 7.400 2.775 2.150 3.359 . 0 0 "[ . 1 . 2]" 1
674 1 52 LEU MD1 1 99 PRO HG2 5.960 . 5.960 3.126 2.225 4.114 . 0 0 "[ . 1 . 2]" 1
675 1 52 LEU MD1 1 99 PRO QG 5.720 . 5.720 2.058 1.679 2.683 . 0 0 "[ . 1 . 2]" 1
676 1 52 LEU MD1 1 99 PRO HG3 5.960 . 5.960 2.139 1.688 2.842 . 0 0 "[ . 1 . 2]" 1
677 1 52 LEU MD2 1 53 THR H 5.460 . 5.460 3.466 2.681 3.748 . 0 0 "[ . 1 . 2]" 1
678 1 52 LEU MD2 1 56 PHE QE 8.650 . 8.650 3.128 2.758 4.303 . 0 0 "[ . 1 . 2]" 1
679 1 52 LEU MD2 1 57 LEU MD1 7.540 . 7.540 4.040 3.493 5.057 . 0 0 "[ . 1 . 2]" 1
680 1 52 LEU MD2 1 82 ILE QG 6.220 . 6.220 4.724 4.222 5.324 . 0 0 "[ . 1 . 2]" 1
681 1 52 LEU MD2 1 95 MET ME 7.540 . 7.540 4.670 4.098 5.269 . 0 0 "[ . 1 . 2]" 1
682 1 52 LEU MD2 1 95 MET QG 7.400 . 7.400 5.902 5.120 6.845 . 0 0 "[ . 1 . 2]" 1
683 1 52 LEU HG 1 53 THR H 5.500 . 5.500 5.443 5.134 5.575 0.075 7 0 "[ . 1 . 2]" 1
684 1 52 LEU HG 1 86 VAL HB 5.410 . 5.410 4.770 4.094 5.422 0.012 13 0 "[ . 1 . 2]" 1
685 1 52 LEU HG 1 86 VAL MG2 4.600 . 4.600 2.169 1.654 2.764 . 0 0 "[ . 1 . 2]" 1
686 1 52 LEU HG 1 95 MET ME 5.810 . 5.810 3.912 2.993 4.985 . 0 0 "[ . 1 . 2]" 1
687 1 52 LEU HG 1 99 PRO QG 5.460 . 5.460 4.295 3.715 5.117 . 0 0 "[ . 1 . 2]" 1
688 1 53 THR H 1 53 THR MG 4.190 . 4.190 3.049 2.815 3.319 . 0 0 "[ . 1 . 2]" 1
689 1 53 THR H 1 54 GLU H 5.500 . 5.500 4.426 4.369 4.487 . 0 0 "[ . 1 . 2]" 1
690 1 53 THR H 1 56 PHE H 3.760 . 3.760 3.130 2.871 3.616 . 0 0 "[ . 1 . 2]" 1
691 1 53 THR H 1 56 PHE QB 3.680 . 3.680 2.117 1.825 2.751 . 0 0 "[ . 1 . 2]" 1
692 1 53 THR H 1 57 LEU H 4.350 . 4.350 3.972 3.734 4.377 0.027 15 0 "[ . 1 . 2]" 1
693 1 53 THR H 1 99 PRO QG 6.390 . 6.390 5.235 4.426 6.132 . 0 0 "[ . 1 . 2]" 1
694 1 53 THR HA 1 54 GLU H 2.960 . 2.960 2.522 2.375 2.642 . 0 0 "[ . 1 . 2]" 1
695 1 53 THR HA 1 95 MET ME 6.520 . 6.520 4.221 3.718 4.757 . 0 0 "[ . 1 . 2]" 1
696 1 53 THR HA 1 99 PRO QB 6.380 . 6.380 2.756 1.975 3.479 . 0 0 "[ . 1 . 2]" 1
697 1 53 THR HA 1 99 PRO QG 6.390 . 6.390 4.299 2.837 5.330 . 0 0 "[ . 1 . 2]" 1
698 1 53 THR HB 1 54 GLU H 2.990 . 2.990 2.136 1.908 2.475 . 0 0 "[ . 1 . 2]" 1
699 1 53 THR MG 1 54 GLU H 4.970 . 4.970 3.441 3.255 3.620 . 0 0 "[ . 1 . 2]" 1
700 1 53 THR MG 1 55 ASP H 6.050 . 6.050 4.213 4.062 4.450 . 0 0 "[ . 1 . 2]" 1
701 1 53 THR MG 1 56 PHE H 6.520 . 6.520 4.421 4.020 4.759 . 0 0 "[ . 1 . 2]" 1
702 1 53 THR MG 1 56 PHE HB2 6.520 . 6.520 4.608 4.058 5.048 . 0 0 "[ . 1 . 2]" 1
703 1 53 THR MG 1 56 PHE HB3 6.520 . 6.520 4.857 4.448 5.175 . 0 0 "[ . 1 . 2]" 1
704 1 53 THR MG 1 56 PHE QD 8.650 . 8.650 5.742 5.250 6.107 . 0 0 "[ . 1 . 2]" 1
705 1 53 THR MG 1 57 LEU H 6.490 . 6.490 5.860 5.644 6.065 . 0 0 "[ . 1 . 2]" 1
706 1 54 GLU H 1 54 GLU HB2 3.520 . 3.520 2.624 2.471 2.824 . 0 0 "[ . 1 . 2]" 1
707 1 54 GLU H 1 54 GLU QB 3.250 . 3.250 2.316 2.176 2.721 . 0 0 "[ . 1 . 2]" 1
708 1 54 GLU H 1 54 GLU HB3 3.520 . 3.520 2.696 2.314 3.587 0.067 13 0 "[ . 1 . 2]" 1
709 1 54 GLU H 1 54 GLU HG2 5.100 . 5.100 4.225 3.526 4.479 . 0 0 "[ . 1 . 2]" 1
710 1 54 GLU H 1 54 GLU QG 4.820 . 4.820 3.666 2.470 4.045 . 0 0 "[ . 1 . 2]" 1
711 1 54 GLU H 1 54 GLU HG3 5.100 . 5.100 4.113 2.514 4.609 . 0 0 "[ . 1 . 2]" 1
712 1 54 GLU H 1 55 ASP H 3.330 . 3.330 2.691 2.530 2.873 . 0 0 "[ . 1 . 2]" 1
713 1 54 GLU H 1 57 LEU HB2 5.100 . 5.100 5.076 4.887 5.238 0.138 3 0 "[ . 1 . 2]" 1
714 1 54 GLU H 1 99 PRO HA 4.140 . 4.140 3.652 3.075 4.141 0.001 10 0 "[ . 1 . 2]" 1
715 1 54 GLU H 1 99 PRO HB2 4.910 . 4.910 4.114 3.056 4.915 0.005 7 0 "[ . 1 . 2]" 1
716 1 54 GLU H 1 99 PRO QB 4.510 . 4.510 3.348 2.769 4.051 . 0 0 "[ . 1 . 2]" 1
717 1 54 GLU H 1 99 PRO HB3 4.910 . 4.910 3.593 2.939 4.401 . 0 0 "[ . 1 . 2]" 1
718 1 54 GLU H 1 99 PRO QG 6.390 . 6.390 5.252 4.611 6.000 . 0 0 "[ . 1 . 2]" 1
719 1 54 GLU HA 1 54 GLU HG2 4.040 . 4.040 2.929 2.478 3.762 . 0 0 "[ . 1 . 2]" 1
720 1 54 GLU HA 1 54 GLU QG 3.700 . 3.700 2.550 2.415 2.637 . 0 0 "[ . 1 . 2]" 1
721 1 54 GLU HA 1 54 GLU HG3 4.040 . 4.040 3.216 2.450 3.714 . 0 0 "[ . 1 . 2]" 1
722 1 54 GLU HA 1 57 LEU H 3.760 . 3.760 3.472 3.284 3.716 . 0 0 "[ . 1 . 2]" 1
723 1 54 GLU HA 1 57 LEU HB2 3.860 . 3.860 2.610 2.442 2.887 . 0 0 "[ . 1 . 2]" 1
724 1 54 GLU HA 1 57 LEU HB3 5.380 . 5.380 4.166 3.946 4.434 . 0 0 "[ . 1 . 2]" 1
725 1 54 GLU HA 1 57 LEU MD2 5.150 . 5.150 3.272 2.940 3.627 . 0 0 "[ . 1 . 2]" 1
726 1 54 GLU HA 1 57 LEU HG 5.190 . 5.190 3.859 3.526 4.258 . 0 0 "[ . 1 . 2]" 1
727 1 54 GLU HA 1 99 PRO QB 4.950 . 4.950 2.924 2.266 3.908 . 0 0 "[ . 1 . 2]" 1
728 1 54 GLU QB 1 55 ASP H 3.820 . 3.820 2.597 2.414 2.799 . 0 0 "[ . 1 . 2]" 1
729 1 54 GLU QB 1 99 PRO HA 5.330 . 5.330 3.792 2.947 4.777 . 0 0 "[ . 1 . 2]" 1
730 1 54 GLU QB 1 100 PHE QD 8.510 . 8.510 6.764 5.898 7.495 . 0 0 "[ . 1 . 2]" 1
731 1 54 GLU HB2 1 55 ASP H 4.480 . 4.480 3.608 2.466 4.063 . 0 0 "[ . 1 . 2]" 1
732 1 54 GLU HB2 1 99 PRO HA 5.500 . 5.500 4.033 2.993 5.407 . 0 0 "[ . 1 . 2]" 1
733 1 54 GLU HB3 1 55 ASP H 4.480 . 4.480 2.932 2.440 3.942 . 0 0 "[ . 1 . 2]" 1
734 1 54 GLU HB3 1 99 PRO HA 5.500 . 5.500 4.953 4.417 5.659 0.159 7 0 "[ . 1 . 2]" 1
735 1 54 GLU QG 1 55 ASP H 5.270 . 5.270 3.994 3.498 4.468 . 0 0 "[ . 1 . 2]" 1
736 1 54 GLU QG 1 99 PRO HA 6.380 . 6.380 4.476 2.045 5.971 . 0 0 "[ . 1 . 2]" 1
737 1 54 GLU QG 1 100 PHE HA 6.380 . 6.380 4.490 2.212 5.995 . 0 0 "[ . 1 . 2]" 1
738 1 54 GLU HG2 1 55 ASP H 5.500 . 5.500 4.331 3.608 5.117 . 0 0 "[ . 1 . 2]" 1
739 1 54 GLU HG3 1 55 ASP H 5.500 . 5.500 4.818 4.524 5.107 . 0 0 "[ . 1 . 2]" 1
740 1 55 ASP H 1 55 ASP HB2 3.360 . 3.360 2.538 2.200 2.667 . 0 0 "[ . 1 . 2]" 1
741 1 55 ASP H 1 55 ASP QB 3.090 . 3.090 2.242 2.134 2.282 . 0 0 "[ . 1 . 2]" 1
742 1 55 ASP H 1 55 ASP HB3 3.360 . 3.360 2.525 2.373 2.874 . 0 0 "[ . 1 . 2]" 1
743 1 55 ASP H 1 56 PHE H 3.330 . 3.330 2.725 2.582 2.890 . 0 0 "[ . 1 . 2]" 1
744 1 55 ASP H 1 58 ARG H 4.690 . 4.690 4.690 4.557 4.784 0.094 12 0 "[ . 1 . 2]" 1
745 1 55 ASP HA 1 58 ARG H 3.760 . 3.760 3.541 3.194 3.739 . 0 0 "[ . 1 . 2]" 1
746 1 55 ASP HA 1 58 ARG HD2 5.500 . 5.500 3.791 2.320 4.756 . 0 0 "[ . 1 . 2]" 1
747 1 55 ASP HA 1 58 ARG QD 4.940 . 4.940 3.186 1.961 3.917 . 0 0 "[ . 1 . 2]" 1
748 1 55 ASP HA 1 58 ARG HD3 5.500 . 5.500 3.771 1.970 5.000 . 0 0 "[ . 1 . 2]" 1
749 1 55 ASP HA 1 59 ASP H 4.660 . 4.660 3.894 3.594 4.271 . 0 0 "[ . 1 . 2]" 1
750 1 55 ASP QB 1 56 PHE H 3.840 . 3.840 2.569 2.444 2.752 . 0 0 "[ . 1 . 2]" 1
751 1 55 ASP HB2 1 56 PHE H 4.010 . 4.010 3.887 3.526 3.984 . 0 0 "[ . 1 . 2]" 1
752 1 55 ASP HB3 1 56 PHE H 4.010 . 4.010 2.607 2.475 2.806 . 0 0 "[ . 1 . 2]" 1
753 1 56 PHE H 1 57 LEU H 3.210 . 3.210 2.720 2.556 2.813 . 0 0 "[ . 1 . 2]" 1
754 1 56 PHE H 1 58 ARG H 4.570 . 4.570 4.099 3.887 4.359 . 0 0 "[ . 1 . 2]" 1
755 1 56 PHE HA 1 59 ASP H 4.320 . 4.320 3.561 3.029 3.869 . 0 0 "[ . 1 . 2]" 1
756 1 56 PHE HA 1 59 ASP HB2 4.380 . 4.380 3.937 3.233 4.406 0.026 8 0 "[ . 1 . 2]" 1
757 1 56 PHE HA 1 59 ASP QB 4.230 . 4.230 2.802 2.303 3.231 . 0 0 "[ . 1 . 2]" 1
758 1 56 PHE HA 1 59 ASP HB3 4.380 . 4.380 2.870 2.357 3.338 . 0 0 "[ . 1 . 2]" 1
759 1 56 PHE HB2 1 57 LEU H 5.500 . 5.500 3.780 3.715 3.876 . 0 0 "[ . 1 . 2]" 1
760 1 56 PHE HB3 1 57 LEU H 5.500 . 5.500 2.430 2.328 2.610 . 0 0 "[ . 1 . 2]" 1
761 1 56 PHE QD 1 57 LEU H 7.470 . 7.470 3.282 3.077 3.735 . 0 0 "[ . 1 . 2]" 1
762 1 56 PHE QD 1 57 LEU MD1 8.650 . 8.650 3.491 2.994 4.238 . 0 0 "[ . 1 . 2]" 1
763 1 56 PHE QD 1 57 LEU HG 7.350 . 7.350 4.968 4.630 5.845 . 0 0 "[ . 1 . 2]" 1
764 1 56 PHE QD 1 79 LEU MD1 8.650 . 8.650 5.853 5.324 6.296 . 0 0 "[ . 1 . 2]" 1
765 1 56 PHE QD 1 79 LEU MD2 8.650 . 8.650 4.450 4.247 4.566 . 0 0 "[ . 1 . 2]" 1
766 1 56 PHE QD 1 79 LEU HG 7.630 . 7.630 7.655 7.481 7.703 0.073 8 0 "[ . 1 . 2]" 1
767 1 56 PHE QD 1 82 ILE MG 8.650 . 8.650 4.411 3.666 5.410 . 0 0 "[ . 1 . 2]" 1
768 1 56 PHE QE 1 57 LEU MD1 8.650 . 8.650 4.271 3.653 5.499 . 0 0 "[ . 1 . 2]" 1
769 1 56 PHE QE 1 60 TYR QB 8.510 . 8.510 3.552 2.990 3.895 . 0 0 "[ . 1 . 2]" 1
770 1 56 PHE QE 1 79 LEU MD2 8.650 . 8.650 4.232 3.447 4.840 . 0 0 "[ . 1 . 2]" 1
771 1 56 PHE QE 1 82 ILE MD 8.650 . 8.650 2.951 2.149 4.158 . 0 0 "[ . 1 . 2]" 1
772 1 56 PHE QE 1 82 ILE QG 8.510 . 8.510 5.001 4.256 6.331 . 0 0 "[ . 1 . 2]" 1
773 1 57 LEU H 1 57 LEU MD1 5.190 . 5.190 3.822 3.686 3.977 . 0 0 "[ . 1 . 2]" 1
774 1 57 LEU H 1 57 LEU MD2 5.370 . 5.370 2.146 2.045 2.250 . 0 0 "[ . 1 . 2]" 1
775 1 57 LEU H 1 57 LEU HG 3.760 . 3.760 3.854 3.822 3.868 0.108 9 0 "[ . 1 . 2]" 1
776 1 57 LEU H 1 58 ARG H 3.050 . 3.050 2.739 2.646 2.837 . 0 0 "[ . 1 . 2]" 1
777 1 57 LEU H 1 99 PRO QB 6.040 . 6.040 4.377 3.891 5.135 . 0 0 "[ . 1 . 2]" 1
778 1 57 LEU HA 1 57 LEU HG 3.760 . 3.760 3.699 3.675 3.716 . 0 0 "[ . 1 . 2]" 1
779 1 57 LEU HA 1 60 TYR H 3.890 . 3.890 3.701 3.379 3.838 . 0 0 "[ . 1 . 2]" 1
780 1 57 LEU HA 1 60 TYR HB2 3.860 . 3.860 3.636 3.022 3.885 0.025 15 0 "[ . 1 . 2]" 1
781 1 57 LEU HA 1 60 TYR HB3 3.860 . 3.860 3.100 2.542 3.616 . 0 0 "[ . 1 . 2]" 1
782 1 57 LEU HA 1 61 LEU H 5.250 . 5.250 3.987 3.673 4.305 . 0 0 "[ . 1 . 2]" 1
783 1 57 LEU HA 1 79 LEU MD1 5.470 . 5.470 3.633 3.203 4.082 . 0 0 "[ . 1 . 2]" 1
784 1 57 LEU HA 1 82 ILE MG 6.520 . 6.520 5.731 4.888 6.543 0.023 11 0 "[ . 1 . 2]" 1
785 1 57 LEU HB2 1 58 ARG H 5.500 . 5.500 2.684 2.607 2.753 . 0 0 "[ . 1 . 2]" 1
786 1 57 LEU HB2 1 79 LEU MD1 6.520 . 6.520 4.763 4.417 5.375 . 0 0 "[ . 1 . 2]" 1
787 1 57 LEU HB2 1 100 PHE QD 7.630 . 7.630 6.476 5.032 7.621 . 0 0 "[ . 1 . 2]" 1
788 1 57 LEU HB3 1 58 ARG H 5.500 . 5.500 3.271 3.040 3.470 . 0 0 "[ . 1 . 2]" 1
789 1 57 LEU HB3 1 79 LEU MD1 6.520 . 6.520 3.308 2.950 4.254 . 0 0 "[ . 1 . 2]" 1
790 1 57 LEU HB3 1 100 PHE QD 7.630 . 7.630 6.276 4.464 7.635 0.005 14 0 "[ . 1 . 2]" 1
791 1 57 LEU MD1 1 58 ARG H 6.520 . 6.520 4.663 4.575 4.696 . 0 0 "[ . 1 . 2]" 1
792 1 57 LEU MD1 1 60 TYR HB2 6.520 . 6.520 4.651 4.170 5.064 . 0 0 "[ . 1 . 2]" 1
793 1 57 LEU MD1 1 60 TYR HB3 6.520 . 6.520 3.855 3.311 4.119 . 0 0 "[ . 1 . 2]" 1
794 1 57 LEU MD1 1 64 MET ME 7.540 . 7.540 5.145 4.480 5.873 . 0 0 "[ . 1 . 2]" 1
795 1 57 LEU MD1 1 79 LEU MD1 6.210 . 6.210 2.282 1.942 2.810 . 0 0 "[ . 1 . 2]" 1
796 1 57 LEU MD1 1 79 LEU MD2 6.890 . 6.890 1.925 1.722 2.747 . 0 0 "[ . 1 . 2]" 1
797 1 57 LEU MD1 1 79 LEU HG 6.520 . 6.520 4.140 3.957 4.441 . 0 0 "[ . 1 . 2]" 1
798 1 57 LEU MD1 1 82 ILE HB 6.520 . 6.520 3.761 3.133 4.810 . 0 0 "[ . 1 . 2]" 1
799 1 57 LEU MD1 1 82 ILE MD 7.540 . 7.540 3.604 2.973 4.446 . 0 0 "[ . 1 . 2]" 1
800 1 57 LEU MD1 1 83 LYS H 6.520 . 6.520 4.662 4.128 5.644 . 0 0 "[ . 1 . 2]" 1
801 1 57 LEU MD1 1 86 VAL MG2 7.540 . 7.540 4.595 3.402 5.556 . 0 0 "[ . 1 . 2]" 1
802 1 57 LEU MD1 1 99 PRO QB 7.400 . 7.400 4.160 3.697 5.082 . 0 0 "[ . 1 . 2]" 1
803 1 57 LEU MD1 1 99 PRO QG 7.410 . 7.410 3.888 2.968 4.829 . 0 0 "[ . 1 . 2]" 1
804 1 57 LEU MD1 1 100 PHE QD 8.650 . 8.650 4.856 3.137 6.046 . 0 0 "[ . 1 . 2]" 1
805 1 57 LEU MD2 1 58 ARG H 6.520 . 6.520 4.123 4.022 4.215 . 0 0 "[ . 1 . 2]" 1
806 1 57 LEU MD2 1 79 LEU MD1 7.480 . 7.480 4.489 3.990 5.004 . 0 0 "[ . 1 . 2]" 1
807 1 57 LEU MD2 1 79 LEU MD2 7.540 . 7.540 3.738 3.523 3.952 . 0 0 "[ . 1 . 2]" 1
808 1 57 LEU MD2 1 82 ILE MG 7.540 . 7.540 3.685 3.192 4.231 . 0 0 "[ . 1 . 2]" 1
809 1 57 LEU MD2 1 86 VAL MG1 7.540 . 7.540 4.441 4.059 4.957 . 0 0 "[ . 1 . 2]" 1
810 1 57 LEU MD2 1 86 VAL MG2 7.540 . 7.540 3.925 3.137 4.375 . 0 0 "[ . 1 . 2]" 1
811 1 57 LEU MD2 1 95 MET ME 7.540 . 7.540 5.142 4.607 5.730 . 0 0 "[ . 1 . 2]" 1
812 1 57 LEU MD2 1 99 PRO HA 6.520 . 6.520 4.787 4.018 5.637 . 0 0 "[ . 1 . 2]" 1
813 1 57 LEU MD2 1 99 PRO HB2 5.370 . 5.370 2.749 1.866 3.370 . 0 0 "[ . 1 . 2]" 1
814 1 57 LEU MD2 1 99 PRO QB 5.080 . 5.080 2.567 1.850 3.240 . 0 0 "[ . 1 . 2]" 1
815 1 57 LEU MD2 1 99 PRO HB3 5.370 . 5.370 3.165 2.627 4.204 . 0 0 "[ . 1 . 2]" 1
816 1 57 LEU MD2 1 99 PRO HG2 5.430 . 5.430 3.298 2.765 3.740 . 0 0 "[ . 1 . 2]" 1
817 1 57 LEU MD2 1 99 PRO QG 5.200 . 5.200 2.787 2.219 3.484 . 0 0 "[ . 1 . 2]" 1
818 1 57 LEU MD2 1 99 PRO HG3 5.430 . 5.430 3.159 2.269 4.259 . 0 0 "[ . 1 . 2]" 1
819 1 57 LEU MD2 1 100 PHE QD 8.000 . 8.000 5.226 4.371 6.510 . 0 0 "[ . 1 . 2]" 1
820 1 57 LEU HG 1 58 ARG H 5.500 . 5.500 5.006 4.888 5.098 . 0 0 "[ . 1 . 2]" 1
821 1 57 LEU HG 1 79 LEU MD1 4.940 . 4.940 4.419 4.012 4.755 . 0 0 "[ . 1 . 2]" 1
822 1 57 LEU HG 1 100 PHE QD 7.630 . 7.630 4.760 3.102 5.935 . 0 0 "[ . 1 . 2]" 1
823 1 58 ARG H 1 58 ARG HD2 5.500 . 5.500 4.722 4.245 5.086 . 0 0 "[ . 1 . 2]" 1
824 1 58 ARG H 1 58 ARG HD3 5.500 . 5.500 4.620 3.497 5.777 0.277 5 0 "[ . 1 . 2]" 1
825 1 58 ARG H 1 58 ARG HG2 5.500 . 5.500 4.172 2.117 4.512 . 0 0 "[ . 1 . 2]" 1
826 1 58 ARG H 1 58 ARG HG3 5.500 . 5.500 4.277 2.137 4.623 . 0 0 "[ . 1 . 2]" 1
827 1 58 ARG H 1 59 ASP H 3.140 . 3.140 2.715 2.504 2.828 . 0 0 "[ . 1 . 2]" 1
828 1 58 ARG HA 1 58 ARG HD2 5.500 . 5.500 4.520 4.246 4.866 . 0 0 "[ . 1 . 2]" 1
829 1 58 ARG HA 1 58 ARG HD3 5.500 . 5.500 4.435 3.595 4.962 . 0 0 "[ . 1 . 2]" 1
830 1 58 ARG HA 1 61 LEU H 4.290 . 4.290 3.670 3.388 3.997 . 0 0 "[ . 1 . 2]" 1
831 1 58 ARG HA 1 61 LEU HB2 4.010 . 4.010 3.562 3.143 3.967 . 0 0 "[ . 1 . 2]" 1
832 1 58 ARG HA 1 61 LEU HB3 3.700 . 3.700 2.817 2.314 3.239 . 0 0 "[ . 1 . 2]" 1
833 1 58 ARG HA 1 61 LEU MD1 6.520 . 6.520 5.051 4.687 5.407 . 0 0 "[ . 1 . 2]" 1
834 1 58 ARG HA 1 62 ILE H 4.820 . 4.820 4.279 3.810 4.720 . 0 0 "[ . 1 . 2]" 1
835 1 58 ARG HB2 1 59 ASP H 5.500 . 5.500 3.766 2.203 4.153 . 0 0 "[ . 1 . 2]" 1
836 1 58 ARG HB3 1 59 ASP H 5.500 . 5.500 2.684 2.315 4.004 . 0 0 "[ . 1 . 2]" 1
837 1 58 ARG HD2 1 59 ASP H 5.500 . 5.500 4.686 3.529 5.632 0.132 16 0 "[ . 1 . 2]" 1
838 1 58 ARG HD3 1 59 ASP H 5.500 . 5.500 4.012 2.414 5.492 . 0 0 "[ . 1 . 2]" 1
839 1 58 ARG QG 1 62 ILE H 6.070 . 6.070 4.604 3.774 5.998 . 0 0 "[ . 1 . 2]" 1
840 1 58 ARG HG2 1 59 ASP H 5.500 . 5.500 3.756 2.654 4.844 . 0 0 "[ . 1 . 2]" 1
841 1 58 ARG HG3 1 59 ASP H 5.500 . 5.500 4.477 2.403 4.850 . 0 0 "[ . 1 . 2]" 1
842 1 59 ASP H 1 59 ASP HB2 3.670 . 3.670 2.581 2.457 2.750 . 0 0 "[ . 1 . 2]" 1
843 1 59 ASP H 1 59 ASP QB 3.290 . 3.290 2.258 2.224 2.285 . 0 0 "[ . 1 . 2]" 1
844 1 59 ASP H 1 59 ASP HB3 3.670 . 3.670 2.504 2.389 2.609 . 0 0 "[ . 1 . 2]" 1
845 1 59 ASP H 1 60 TYR H 3.330 . 3.330 2.629 2.496 2.804 . 0 0 "[ . 1 . 2]" 1
846 1 59 ASP HA 1 62 ILE H 3.890 . 3.890 3.497 3.233 3.642 . 0 0 "[ . 1 . 2]" 1
847 1 59 ASP HA 1 62 ILE HB 3.390 . 3.390 2.932 2.488 3.291 . 0 0 "[ . 1 . 2]" 1
848 1 59 ASP HB2 1 60 TYR H 4.380 . 4.380 3.901 3.802 4.008 . 0 0 "[ . 1 . 2]" 1
849 1 59 ASP HB3 1 60 TYR H 4.380 . 4.380 2.623 2.536 2.760 . 0 0 "[ . 1 . 2]" 1
850 1 60 TYR H 1 60 TYR HB2 3.950 . 3.950 2.339 2.109 2.503 . 0 0 "[ . 1 . 2]" 1
851 1 60 TYR H 1 60 TYR QB 3.620 . 3.620 2.206 2.070 2.276 . 0 0 "[ . 1 . 2]" 1
852 1 60 TYR H 1 60 TYR HB3 3.950 . 3.950 2.764 2.604 3.124 . 0 0 "[ . 1 . 2]" 1
853 1 60 TYR H 1 61 LEU H 3.420 . 3.420 2.562 2.511 2.661 . 0 0 "[ . 1 . 2]" 1
854 1 60 TYR H 1 62 ILE H 4.200 . 4.200 4.232 4.195 4.293 0.093 13 0 "[ . 1 . 2]" 1
855 1 60 TYR H 1 79 LEU MD2 6.520 . 6.520 4.753 4.269 5.641 . 0 0 "[ . 1 . 2]" 1
856 1 60 TYR HA 1 63 TYR H 3.920 . 3.920 3.314 3.013 3.674 . 0 0 "[ . 1 . 2]" 1
857 1 60 TYR HA 1 63 TYR HB2 3.890 . 3.890 3.130 2.759 3.547 . 0 0 "[ . 1 . 2]" 1
858 1 60 TYR HA 1 63 TYR HB3 3.920 . 3.920 2.406 1.987 2.983 . 0 0 "[ . 1 . 2]" 1
859 1 60 TYR HA 1 63 TYR QD 7.630 . 7.630 3.956 3.411 4.527 . 0 0 "[ . 1 . 2]" 1
860 1 60 TYR HA 1 64 MET H 4.290 . 4.290 3.866 3.512 4.096 . 0 0 "[ . 1 . 2]" 1
861 1 60 TYR QB 1 61 LEU H 4.120 . 4.120 2.678 2.563 2.883 . 0 0 "[ . 1 . 2]" 1
862 1 60 TYR QB 1 64 MET ME 6.650 . 6.650 3.942 3.456 4.498 . 0 0 "[ . 1 . 2]" 1
863 1 60 TYR QB 1 82 ILE MD 6.590 . 6.590 4.382 3.690 5.104 . 0 0 "[ . 1 . 2]" 1
864 1 60 TYR HB2 1 61 LEU H 4.290 . 4.290 3.735 3.393 3.910 . 0 0 "[ . 1 . 2]" 1
865 1 60 TYR HB3 1 61 LEU H 4.290 . 4.290 2.750 2.607 3.064 . 0 0 "[ . 1 . 2]" 1
866 1 60 TYR QD 1 61 LEU H 7.630 . 7.630 4.191 3.787 4.631 . 0 0 "[ . 1 . 2]" 1
867 1 60 TYR QD 1 61 LEU HA 7.630 . 7.630 4.245 3.641 5.048 . 0 0 "[ . 1 . 2]" 1
868 1 60 TYR QD 1 64 MET ME 7.750 . 7.750 2.616 1.896 3.193 . 0 0 "[ . 1 . 2]" 1
869 1 60 TYR QD 1 79 LEU MD2 8.000 . 8.000 2.017 1.682 3.250 . 0 0 "[ . 1 . 2]" 1
870 1 60 TYR QD 1 82 ILE MD 8.650 . 8.650 3.706 2.920 4.610 . 0 0 "[ . 1 . 2]" 1
871 1 60 TYR QE 1 63 TYR QD 9.760 . 9.760 3.936 3.004 5.461 . 0 0 "[ . 1 . 2]" 1
872 1 60 TYR QE 1 64 MET ME 7.750 . 7.750 2.608 2.146 4.682 . 0 0 "[ . 1 . 2]" 1
873 1 60 TYR QE 1 79 LEU MD2 8.650 . 8.650 3.330 2.738 4.918 . 0 0 "[ . 1 . 2]" 1
874 1 60 TYR QE 1 82 ILE MD 7.070 . 7.070 3.381 2.051 4.575 . 0 0 "[ . 1 . 2]" 1
875 1 61 LEU H 1 61 LEU HB2 3.390 . 3.390 2.583 2.537 2.685 . 0 0 "[ . 1 . 2]" 1
876 1 61 LEU H 1 61 LEU HB3 3.300 . 3.300 2.403 2.295 2.464 . 0 0 "[ . 1 . 2]" 1
877 1 61 LEU H 1 61 LEU MD2 5.560 . 5.560 4.213 4.168 4.250 . 0 0 "[ . 1 . 2]" 1
878 1 61 LEU H 1 61 LEU HG 5.500 . 5.500 4.409 4.327 4.445 . 0 0 "[ . 1 . 2]" 1
879 1 61 LEU H 1 62 ILE H 3.330 . 3.330 2.752 2.674 2.820 . 0 0 "[ . 1 . 2]" 1
880 1 61 LEU H 1 64 MET ME 5.870 . 5.870 4.679 4.294 5.132 . 0 0 "[ . 1 . 2]" 1
881 1 61 LEU HA 1 64 MET H 4.450 . 4.450 3.575 3.364 3.861 . 0 0 "[ . 1 . 2]" 1
882 1 61 LEU HA 1 64 MET HB2 4.140 . 4.140 3.475 2.897 4.164 0.024 12 0 "[ . 1 . 2]" 1
883 1 61 LEU HA 1 64 MET ME 3.760 . 3.760 3.125 2.560 3.490 . 0 0 "[ . 1 . 2]" 1
884 1 61 LEU HA 1 75 ALA MB 6.050 . 6.050 2.993 2.359 3.422 . 0 0 "[ . 1 . 2]" 1
885 1 61 LEU HB2 1 62 ILE H 3.700 . 3.700 3.766 3.717 3.855 0.155 3 0 "[ . 1 . 2]" 1
886 1 61 LEU HB2 1 64 MET ME 4.810 . 4.810 4.718 4.215 4.950 0.140 3 0 "[ . 1 . 2]" 1
887 1 61 LEU HB2 1 76 GLN QG 6.380 . 6.380 5.880 4.925 6.420 0.040 4 0 "[ . 1 . 2]" 1
888 1 61 LEU HB3 1 62 ILE H 3.480 . 3.480 2.360 2.290 2.480 . 0 0 "[ . 1 . 2]" 1
889 1 61 LEU MD1 1 62 ILE H 6.520 . 6.520 4.311 4.207 4.366 . 0 0 "[ . 1 . 2]" 1
890 1 61 LEU MD1 1 75 ALA MB 7.010 . 7.010 1.979 1.795 2.208 . 0 0 "[ . 1 . 2]" 1
891 1 61 LEU MD1 1 76 GLN HA 5.530 . 5.530 4.040 3.247 5.108 . 0 0 "[ . 1 . 2]" 1
892 1 61 LEU MD1 1 76 GLN HE21 6.240 . 6.240 3.245 1.882 5.252 . 0 0 "[ . 1 . 2]" 1
893 1 61 LEU MD1 1 76 GLN HE22 6.520 . 6.520 3.804 1.785 5.267 . 0 0 "[ . 1 . 2]" 1
894 1 61 LEU MD2 1 62 ILE H 4.750 . 4.750 3.884 3.790 3.992 . 0 0 "[ . 1 . 2]" 1
895 1 61 LEU MD2 1 62 ILE HA 4.910 . 4.910 4.571 4.447 4.746 . 0 0 "[ . 1 . 2]" 1
896 1 61 LEU MD2 1 65 LYS H 6.520 . 6.520 5.877 5.623 6.173 . 0 0 "[ . 1 . 2]" 1
897 1 61 LEU MD2 1 65 LYS HB2 6.520 . 6.520 5.286 4.610 6.551 0.031 13 0 "[ . 1 . 2]" 1
898 1 61 LEU MD2 1 65 LYS HB3 6.520 . 6.520 5.674 4.848 6.331 . 0 0 "[ . 1 . 2]" 1
899 1 61 LEU MD2 1 75 ALA MB 5.580 . 5.580 4.127 3.677 4.362 . 0 0 "[ . 1 . 2]" 1
900 1 61 LEU MD2 1 76 GLN H 6.520 . 6.520 5.876 5.084 6.494 . 0 0 "[ . 1 . 2]" 1
901 1 61 LEU MD2 1 76 GLN HA 6.520 . 6.520 5.552 4.891 6.531 0.011 15 0 "[ . 1 . 2]" 1
902 1 61 LEU MD2 1 76 GLN HE21 5.960 . 5.960 3.715 2.367 5.722 . 0 0 "[ . 1 . 2]" 1
903 1 61 LEU MD2 1 76 GLN HE22 6.520 . 6.520 3.768 2.485 5.165 . 0 0 "[ . 1 . 2]" 1
904 1 61 LEU MD2 1 76 GLN QG 7.210 . 7.210 4.423 3.657 5.265 . 0 0 "[ . 1 . 2]" 1
905 1 61 LEU HG 1 62 ILE H 3.330 . 3.330 3.359 3.249 3.394 0.064 13 0 "[ . 1 . 2]" 1
906 1 61 LEU HG 1 75 ALA MB 5.370 . 5.370 4.057 3.684 4.408 . 0 0 "[ . 1 . 2]" 1
907 1 62 ILE H 1 62 ILE HB 3.020 . 3.020 2.565 2.512 2.626 . 0 0 "[ . 1 . 2]" 1
908 1 62 ILE H 1 63 TYR H 3.210 . 3.210 2.750 2.578 2.835 . 0 0 "[ . 1 . 2]" 1
909 1 62 ILE HA 1 65 LYS H 4.170 . 4.170 3.484 3.263 3.714 . 0 0 "[ . 1 . 2]" 1
910 1 62 ILE HA 1 65 LYS QB 4.050 . 4.050 3.080 2.306 4.114 0.064 6 0 "[ . 1 . 2]" 1
911 1 62 ILE HA 1 65 LYS QD 5.080 . 5.080 4.237 2.590 5.098 0.018 2 0 "[ . 1 . 2]" 1
912 1 62 ILE HA 1 66 LYS H 5.500 . 5.500 3.840 3.412 4.260 . 0 0 "[ . 1 . 2]" 1
913 1 62 ILE HB 1 63 TYR H 3.360 . 3.360 2.488 2.345 2.583 . 0 0 "[ . 1 . 2]" 1
914 1 63 TYR H 1 63 TYR HB2 3.080 . 3.080 2.444 2.175 2.681 . 0 0 "[ . 1 . 2]" 1
915 1 63 TYR H 1 63 TYR HB3 2.990 . 2.990 2.566 2.348 2.878 . 0 0 "[ . 1 . 2]" 1
916 1 63 TYR H 1 64 MET H 3.270 . 3.270 2.732 2.639 2.819 . 0 0 "[ . 1 . 2]" 1
917 1 63 TYR H 1 64 MET ME 6.520 . 6.520 5.644 5.328 5.843 . 0 0 "[ . 1 . 2]" 1
918 1 63 TYR HA 1 67 THR HB 4.140 . 4.140 3.761 2.935 4.176 0.036 12 0 "[ . 1 . 2]" 1
919 1 63 TYR HB2 1 64 MET H 4.660 . 4.660 3.820 3.521 3.964 . 0 0 "[ . 1 . 2]" 1
920 1 63 TYR HB3 1 64 MET H 3.980 . 3.980 2.573 2.395 2.662 . 0 0 "[ . 1 . 2]" 1
921 1 63 TYR QD 1 64 MET H 7.630 . 7.630 3.613 3.229 4.178 . 0 0 "[ . 1 . 2]" 1
922 1 63 TYR QD 1 64 MET ME 8.650 . 8.650 4.770 3.788 5.481 . 0 0 "[ . 1 . 2]" 1
923 1 63 TYR QD 1 64 MET QG 8.510 . 8.510 5.245 4.725 6.333 . 0 0 "[ . 1 . 2]" 1
924 1 63 TYR QD 1 67 THR HB 7.630 . 7.630 3.517 2.962 4.155 . 0 0 "[ . 1 . 2]" 1
925 1 63 TYR QD 1 67 THR MG 8.650 . 8.650 3.927 3.069 4.490 . 0 0 "[ . 1 . 2]" 1
926 1 63 TYR QD 1 68 LEU MD1 8.650 . 8.650 3.302 2.639 4.948 . 0 0 "[ . 1 . 2]" 1
927 1 63 TYR QD 1 79 LEU MD2 8.650 . 8.650 6.522 5.192 7.760 . 0 0 "[ . 1 . 2]" 1
928 1 63 TYR QE 1 64 MET H 7.630 . 7.630 5.721 5.235 6.292 . 0 0 "[ . 1 . 2]" 1
929 1 63 TYR QE 1 64 MET QG 8.510 . 8.510 6.413 5.499 8.050 . 0 0 "[ . 1 . 2]" 1
930 1 63 TYR QE 1 67 THR HB 7.630 . 7.630 3.555 3.108 4.299 . 0 0 "[ . 1 . 2]" 1
931 1 63 TYR QE 1 67 THR MG 6.950 . 6.950 2.926 2.248 3.746 . 0 0 "[ . 1 . 2]" 1
932 1 63 TYR QE 1 68 LEU MD1 7.910 . 7.910 3.293 2.342 4.852 . 0 0 "[ . 1 . 2]" 1
933 1 63 TYR QE 1 68 LEU MD2 8.130 . 8.130 3.486 2.473 6.223 . 0 0 "[ . 1 . 2]" 1
934 1 64 MET H 1 64 MET HB2 3.480 . 3.480 2.432 2.245 2.606 . 0 0 "[ . 1 . 2]" 1
935 1 64 MET H 1 64 MET HB3 4.010 . 4.010 2.558 2.375 2.806 . 0 0 "[ . 1 . 2]" 1
936 1 64 MET H 1 64 MET ME 6.120 . 6.120 3.739 3.523 3.872 . 0 0 "[ . 1 . 2]" 1
937 1 64 MET H 1 64 MET HG2 5.040 . 5.040 4.522 4.378 4.614 . 0 0 "[ . 1 . 2]" 1
938 1 64 MET H 1 64 MET QG 4.710 . 4.710 3.980 3.933 4.022 . 0 0 "[ . 1 . 2]" 1
939 1 64 MET H 1 64 MET HG3 5.040 . 5.040 4.419 4.371 4.464 . 0 0 "[ . 1 . 2]" 1
940 1 64 MET H 1 65 LYS H 3.110 . 3.110 2.645 2.540 2.756 . 0 0 "[ . 1 . 2]" 1
941 1 64 MET HA 1 67 THR H 4.720 . 4.720 4.495 4.010 4.749 0.029 4 0 "[ . 1 . 2]" 1
942 1 64 MET HA 1 68 LEU H 4.760 . 4.760 3.110 2.756 3.393 . 0 0 "[ . 1 . 2]" 1
943 1 64 MET HA 1 68 LEU HB2 3.920 . 3.920 2.298 2.024 2.594 . 0 0 "[ . 1 . 2]" 1
944 1 64 MET HA 1 68 LEU HB3 3.920 . 3.920 3.742 2.912 3.986 0.066 12 0 "[ . 1 . 2]" 1
945 1 64 MET HA 1 68 LEU MD1 4.500 . 4.500 2.142 1.826 3.255 . 0 0 "[ . 1 . 2]" 1
946 1 64 MET HA 1 68 LEU MD2 6.520 . 6.520 4.192 3.794 5.067 . 0 0 "[ . 1 . 2]" 1
947 1 64 MET HA 1 68 LEU HG 5.500 . 5.500 2.860 2.238 4.799 . 0 0 "[ . 1 . 2]" 1
948 1 64 MET HA 1 69 CYS H 5.040 . 5.040 4.487 3.872 5.049 0.009 13 0 "[ . 1 . 2]" 1
949 1 64 MET HB2 1 64 MET ME 4.600 . 4.600 1.936 1.743 2.270 . 0 0 "[ . 1 . 2]" 1
950 1 64 MET HB2 1 65 LYS H 3.760 . 3.760 3.745 3.460 3.877 0.117 13 0 "[ . 1 . 2]" 1
951 1 64 MET HB2 1 68 LEU MD1 6.520 . 6.520 3.230 2.531 4.451 . 0 0 "[ . 1 . 2]" 1
952 1 64 MET HB2 1 75 ALA MB 5.030 . 5.030 3.654 2.811 4.407 . 0 0 "[ . 1 . 2]" 1
953 1 64 MET HB2 1 79 LEU MD2 6.520 . 6.520 4.687 4.049 5.393 . 0 0 "[ . 1 . 2]" 1
954 1 64 MET HB3 1 65 LYS H 3.210 . 3.210 2.488 2.204 2.645 . 0 0 "[ . 1 . 2]" 1
955 1 64 MET HB3 1 68 LEU MD1 5.220 . 5.220 4.197 3.735 5.124 . 0 0 "[ . 1 . 2]" 1
956 1 64 MET HB3 1 75 ALA MB 5.030 . 5.030 2.769 2.168 3.193 . 0 0 "[ . 1 . 2]" 1
957 1 64 MET ME 1 65 LYS H 6.520 . 6.520 4.718 4.006 5.113 . 0 0 "[ . 1 . 2]" 1
958 1 64 MET ME 1 75 ALA HA 4.530 . 4.530 2.352 1.631 3.738 . 0 0 "[ . 1 . 2]" 1
959 1 64 MET ME 1 75 ALA MB 6.480 . 6.480 2.320 1.473 3.232 . 0 0 "[ . 1 . 2]" 1
960 1 64 MET ME 1 78 ASN HB2 5.060 . 5.060 3.050 1.804 4.471 . 0 0 "[ . 1 . 2]" 1
961 1 64 MET ME 1 78 ASN HB3 5.900 . 5.900 2.585 2.013 3.622 . 0 0 "[ . 1 . 2]" 1
962 1 64 MET ME 1 78 ASN HD21 6.520 . 6.520 2.967 1.422 4.772 . 0 0 "[ . 1 . 2]" 1
963 1 64 MET ME 1 78 ASN HD22 6.520 . 6.520 3.956 2.790 4.785 . 0 0 "[ . 1 . 2]" 1
964 1 64 MET ME 1 79 LEU H 5.710 . 5.710 3.558 2.954 4.586 . 0 0 "[ . 1 . 2]" 1
965 1 64 MET ME 1 79 LEU HA 6.520 . 6.520 4.235 3.628 5.216 . 0 0 "[ . 1 . 2]" 1
966 1 64 MET ME 1 79 LEU MD2 5.400 . 5.400 2.771 2.278 3.706 . 0 0 "[ . 1 . 2]" 1
967 1 64 MET ME 1 82 ILE MD 7.540 . 7.540 4.371 2.647 5.494 . 0 0 "[ . 1 . 2]" 1
968 1 64 MET QG 1 65 LYS H 4.110 . 4.110 3.669 3.320 3.861 . 0 0 "[ . 1 . 2]" 1
969 1 64 MET QG 1 68 LEU MD1 6.440 . 6.440 2.561 1.753 3.343 . 0 0 "[ . 1 . 2]" 1
970 1 64 MET HG2 1 65 LYS H 4.420 . 4.420 4.091 3.440 4.467 0.047 9 0 "[ . 1 . 2]" 1
971 1 64 MET HG3 1 65 LYS H 4.420 . 4.420 4.267 3.822 4.600 0.180 15 0 "[ . 1 . 2]" 1
972 1 65 LYS H 1 65 LYS HB2 3.860 . 3.860 2.606 2.086 3.669 . 0 0 "[ . 1 . 2]" 1
973 1 65 LYS H 1 65 LYS HB3 3.860 . 3.860 2.689 2.427 3.113 . 0 0 "[ . 1 . 2]" 1
974 1 65 LYS H 1 65 LYS HD2 5.500 . 5.500 4.899 4.070 5.252 . 0 0 "[ . 1 . 2]" 1
975 1 65 LYS H 1 65 LYS HD3 5.500 . 5.500 4.747 4.161 4.904 . 0 0 "[ . 1 . 2]" 1
976 1 65 LYS H 1 65 LYS HG2 5.500 . 5.500 3.947 2.123 4.445 . 0 0 "[ . 1 . 2]" 1
977 1 65 LYS H 1 65 LYS HG3 5.500 . 5.500 4.216 2.222 4.605 . 0 0 "[ . 1 . 2]" 1
978 1 65 LYS H 1 66 LYS H 3.270 . 3.270 2.542 2.365 2.846 . 0 0 "[ . 1 . 2]" 1
979 1 65 LYS H 1 75 ALA MB 6.520 . 6.520 4.118 3.453 4.841 . 0 0 "[ . 1 . 2]" 1
980 1 65 LYS HA 1 65 LYS HD2 5.500 . 5.500 4.265 3.628 5.244 . 0 0 "[ . 1 . 2]" 1
981 1 65 LYS HA 1 65 LYS HD3 5.500 . 5.500 3.612 2.372 5.530 0.030 6 0 "[ . 1 . 2]" 1
982 1 65 LYS HA 1 65 LYS HE2 5.500 . 5.500 4.679 3.919 5.855 0.355 13 0 "[ . 1 . 2]" 1
983 1 65 LYS HA 1 65 LYS HE3 5.500 . 5.500 4.981 4.196 5.513 0.013 13 0 "[ . 1 . 2]" 1
984 1 65 LYS QB 1 66 LYS H 4.180 . 4.180 2.807 2.403 3.767 . 0 0 "[ . 1 . 2]" 1
985 1 65 LYS HB2 1 65 LYS HE2 5.500 . 5.500 4.505 1.813 5.507 0.007 11 0 "[ . 1 . 2]" 1
986 1 65 LYS HB2 1 65 LYS HE3 5.500 . 5.500 4.233 1.796 4.818 . 0 0 "[ . 1 . 2]" 1
987 1 65 LYS HB2 1 66 LYS H 4.380 . 4.380 3.785 3.360 4.212 . 0 0 "[ . 1 . 2]" 1
988 1 65 LYS HB3 1 65 LYS HE2 5.500 . 5.500 4.451 3.387 4.741 . 0 0 "[ . 1 . 2]" 1
989 1 65 LYS HB3 1 65 LYS HE3 5.500 . 5.500 4.211 2.855 4.687 . 0 0 "[ . 1 . 2]" 1
990 1 65 LYS HB3 1 66 LYS H 4.380 . 4.380 2.942 2.436 4.245 . 0 0 "[ . 1 . 2]" 1
991 1 65 LYS HD2 1 66 LYS H 5.500 . 5.500 4.563 3.815 5.530 0.030 1 0 "[ . 1 . 2]" 1
992 1 65 LYS HD3 1 66 LYS H 5.500 . 5.500 4.237 3.309 5.162 . 0 0 "[ . 1 . 2]" 1
993 1 65 LYS HG2 1 66 LYS H 5.500 . 5.500 4.463 2.915 5.056 . 0 0 "[ . 1 . 2]" 1
994 1 65 LYS HG3 1 66 LYS H 5.500 . 5.500 4.573 2.536 5.229 . 0 0 "[ . 1 . 2]" 1
995 1 66 LYS H 1 66 LYS HB2 3.550 . 3.550 2.599 2.337 2.819 . 0 0 "[ . 1 . 2]" 1
996 1 66 LYS H 1 66 LYS HB3 3.550 . 3.550 2.729 2.236 3.619 0.069 19 0 "[ . 1 . 2]" 1
997 1 66 LYS H 1 66 LYS HD2 5.500 . 5.500 4.857 4.393 5.141 . 0 0 "[ . 1 . 2]" 1
998 1 66 LYS H 1 66 LYS HD3 5.500 . 5.500 4.608 3.656 5.138 . 0 0 "[ . 1 . 2]" 1
999 1 66 LYS H 1 66 LYS HG2 5.500 . 5.500 4.029 2.403 4.635 . 0 0 "[ . 1 . 2]" 1
1000 1 66 LYS H 1 66 LYS HG3 5.500 . 5.500 4.303 2.939 4.683 . 0 0 "[ . 1 . 2]" 1
1001 1 66 LYS H 1 67 THR H 3.170 . 3.170 2.662 2.462 2.787 . 0 0 "[ . 1 . 2]" 1
1002 1 66 LYS HA 1 66 LYS HD2 5.500 . 5.500 3.558 2.053 4.632 . 0 0 "[ . 1 . 2]" 1
1003 1 66 LYS HA 1 66 LYS HD3 5.500 . 5.500 3.527 2.013 4.720 . 0 0 "[ . 1 . 2]" 1
1004 1 66 LYS HA 1 66 LYS HE2 5.500 . 5.500 4.903 4.161 5.520 0.020 12 0 "[ . 1 . 2]" 1
1005 1 66 LYS HA 1 66 LYS HE3 5.500 . 5.500 4.967 4.251 5.510 0.010 1 0 "[ . 1 . 2]" 1
1006 1 66 LYS QB 1 67 THR H 3.490 . 3.490 2.182 2.096 2.258 . 0 0 "[ . 1 . 2]" 1
1007 1 66 LYS HB2 1 66 LYS HE2 5.500 . 5.500 4.696 4.176 5.501 0.001 20 0 "[ . 1 . 2]" 1
1008 1 66 LYS HB2 1 66 LYS HE3 5.500 . 5.500 4.558 4.224 5.495 . 0 0 "[ . 1 . 2]" 1
1009 1 66 LYS HB2 1 67 THR H 3.670 . 3.670 3.295 2.167 3.712 0.042 1 0 "[ . 1 . 2]" 1
1010 1 66 LYS HB3 1 66 LYS HE2 5.500 . 5.500 4.502 4.054 5.507 0.007 9 0 "[ . 1 . 2]" 1
1011 1 66 LYS HB3 1 66 LYS HE3 5.500 . 5.500 4.616 4.144 5.465 . 0 0 "[ . 1 . 2]" 1
1012 1 66 LYS HB3 1 67 THR H 3.670 . 3.670 2.429 2.109 3.209 . 0 0 "[ . 1 . 2]" 1
1013 1 66 LYS HD2 1 67 THR H 5.500 . 5.500 4.749 3.228 5.437 . 0 0 "[ . 1 . 2]" 1
1014 1 66 LYS HD3 1 67 THR H 5.500 . 5.500 4.506 3.052 5.369 . 0 0 "[ . 1 . 2]" 1
1015 1 66 LYS HG2 1 67 THR H 5.500 . 5.500 3.869 2.860 4.811 . 0 0 "[ . 1 . 2]" 1
1016 1 66 LYS HG3 1 67 THR H 5.500 . 5.500 4.139 3.106 4.715 . 0 0 "[ . 1 . 2]" 1
1017 1 67 THR H 1 67 THR HB 3.110 . 3.110 2.577 2.486 2.702 . 0 0 "[ . 1 . 2]" 1
1018 1 67 THR H 1 68 LEU H 3.080 . 3.080 2.558 2.461 2.715 . 0 0 "[ . 1 . 2]" 1
1019 1 67 THR HB 1 68 LEU H 3.610 . 3.610 2.594 2.420 2.877 . 0 0 "[ . 1 . 2]" 1
1020 1 67 THR HB 1 68 LEU MD1 6.520 . 6.520 4.572 4.199 5.387 . 0 0 "[ . 1 . 2]" 1
1021 1 67 THR HB 1 68 LEU MD2 6.520 . 6.520 3.837 3.450 5.790 . 0 0 "[ . 1 . 2]" 1
1022 1 67 THR MG 1 68 LEU H 5.810 . 5.810 3.585 3.340 3.864 . 0 0 "[ . 1 . 2]" 1
1023 1 67 THR MG 1 68 LEU QB 7.370 . 7.370 4.611 4.026 4.961 . 0 0 "[ . 1 . 2]" 1
1024 1 67 THR MG 1 68 LEU MD2 6.200 . 6.200 3.171 2.451 5.082 . 0 0 "[ . 1 . 2]" 1
1025 1 68 LEU H 1 68 LEU HB2 3.860 . 3.860 2.453 2.181 2.542 . 0 0 "[ . 1 . 2]" 1
1026 1 68 LEU H 1 68 LEU QB 3.600 . 3.600 2.411 2.139 2.497 . 0 0 "[ . 1 . 2]" 1
1027 1 68 LEU H 1 68 LEU HB3 3.860 . 3.860 3.564 2.837 3.671 . 0 0 "[ . 1 . 2]" 1
1028 1 68 LEU H 1 68 LEU HG 4.290 . 4.290 2.674 2.337 4.299 0.009 17 0 "[ . 1 . 2]" 1
1029 1 68 LEU H 1 69 CYS H 3.920 . 3.920 2.424 2.196 3.083 . 0 0 "[ . 1 . 2]" 1
1030 1 68 LEU QB 1 70 ASN HD21 6.380 . 6.380 2.865 1.688 4.607 . 0 0 "[ . 1 . 2]" 1
1031 1 68 LEU QB 1 70 ASN HD22 4.910 . 4.910 3.203 2.200 4.194 . 0 0 "[ . 1 . 2]" 1
1032 1 68 LEU HB2 1 70 ASN HD22 5.100 . 5.100 4.292 2.914 5.132 0.032 19 0 "[ . 1 . 2]" 1
1033 1 68 LEU HB3 1 70 ASN HD22 5.100 . 5.100 3.325 2.242 4.451 . 0 0 "[ . 1 . 2]" 1
1034 1 68 LEU MD1 1 70 ASN HD21 5.310 . 5.310 4.039 2.050 5.387 0.077 14 0 "[ . 1 . 2]" 1
1035 1 68 LEU MD1 1 70 ASN HD22 6.520 . 6.520 4.101 2.268 5.734 . 0 0 "[ . 1 . 2]" 1
1036 1 68 LEU MD2 1 70 ASN HD21 6.520 . 6.520 4.722 2.760 6.482 . 0 0 "[ . 1 . 2]" 1
1037 1 70 ASN HA 1 70 ASN HD21 3.950 . 3.950 3.321 1.741 4.025 0.075 3 0 "[ . 1 . 2]" 1
1038 1 70 ASN HA 1 70 ASN HD22 4.450 . 4.450 4.037 3.357 4.471 0.021 3 0 "[ . 1 . 2]" 1
1039 1 70 ASN HA 1 71 ALA H 2.900 . 2.900 2.340 2.140 2.663 . 0 0 "[ . 1 . 2]" 1
1040 1 70 ASN HB2 1 71 ALA H 3.950 . 3.950 3.818 3.044 4.017 0.067 18 0 "[ . 1 . 2]" 1
1041 1 70 ASN HB2 1 74 THR HB 3.760 . 3.760 3.641 2.907 3.827 0.067 2 0 "[ . 1 . 2]" 1
1042 1 70 ASN HB2 1 74 THR MG 6.520 . 6.520 4.011 3.368 4.516 . 0 0 "[ . 1 . 2]" 1
1043 1 70 ASN HB2 1 75 ALA MB 5.840 . 5.840 3.637 3.006 4.568 . 0 0 "[ . 1 . 2]" 1
1044 1 70 ASN HB3 1 71 ALA H 5.310 . 5.310 2.580 1.927 2.996 . 0 0 "[ . 1 . 2]" 1
1045 1 70 ASN HB3 1 74 THR HB 4.350 . 4.350 2.091 1.647 2.362 . 0 0 "[ . 1 . 2]" 1
1046 1 70 ASN HB3 1 74 THR MG 6.520 . 6.520 2.893 2.430 3.362 . 0 0 "[ . 1 . 2]" 1
1047 1 70 ASN HB3 1 75 ALA MB 5.430 . 5.430 3.787 3.168 5.045 . 0 0 "[ . 1 . 2]" 1
1048 1 70 ASN HD21 1 71 ALA H 5.500 . 5.500 5.000 3.434 5.626 0.126 17 0 "[ . 1 . 2]" 1
1049 1 70 ASN HD21 1 74 THR MG 6.520 . 6.520 4.377 2.116 5.250 . 0 0 "[ . 1 . 2]" 1
1050 1 70 ASN HD22 1 74 THR MG 6.520 . 6.520 4.152 3.009 4.837 . 0 0 "[ . 1 . 2]" 1
1051 1 71 ALA H 1 74 THR HB 4.170 . 4.170 2.907 2.298 3.416 . 0 0 "[ . 1 . 2]" 1
1052 1 71 ALA H 1 74 THR MG 6.520 . 6.520 3.887 3.298 4.511 . 0 0 "[ . 1 . 2]" 1
1053 1 71 ALA MB 1 72 ASP HA 6.520 . 6.520 4.317 4.170 4.413 . 0 0 "[ . 1 . 2]" 1
1054 1 71 ALA MB 1 73 SER H 6.520 . 6.520 2.875 2.624 3.515 . 0 0 "[ . 1 . 2]" 1
1055 1 71 ALA MB 1 74 THR H 5.030 . 5.030 2.900 2.503 3.588 . 0 0 "[ . 1 . 2]" 1
1056 1 71 ALA MB 1 74 THR HB 5.250 . 5.250 3.774 3.017 4.583 . 0 0 "[ . 1 . 2]" 1
1057 1 72 ASP HA 1 75 ALA MB 4.500 . 4.500 2.462 1.876 3.090 . 0 0 "[ . 1 . 2]" 1
1058 1 72 ASP HA 1 76 GLN H 4.380 . 4.380 3.807 3.226 4.336 . 0 0 "[ . 1 . 2]" 1
1059 1 72 ASP HA 1 76 GLN HG2 5.500 . 5.500 3.881 3.622 4.382 . 0 0 "[ . 1 . 2]" 1
1060 1 72 ASP HA 1 76 GLN HG3 5.500 . 5.500 5.113 4.712 5.534 0.034 11 0 "[ . 1 . 2]" 1
1061 1 72 ASP HB2 1 73 SER H 5.500 . 5.500 3.299 2.207 4.190 . 0 0 "[ . 1 . 2]" 1
1062 1 72 ASP HB2 1 75 ALA MB 6.520 . 6.520 4.468 3.550 5.252 . 0 0 "[ . 1 . 2]" 1
1063 1 72 ASP HB2 1 76 GLN HG2 5.500 . 5.500 4.091 2.754 5.410 . 0 0 "[ . 1 . 2]" 1
1064 1 72 ASP HB2 1 76 GLN HG3 5.500 . 5.500 4.607 3.785 5.580 0.080 17 0 "[ . 1 . 2]" 1
1065 1 72 ASP HB3 1 73 SER H 5.500 . 5.500 3.651 2.483 4.104 . 0 0 "[ . 1 . 2]" 1
1066 1 72 ASP HB3 1 75 ALA MB 6.520 . 6.520 4.470 3.768 5.446 . 0 0 "[ . 1 . 2]" 1
1067 1 72 ASP HB3 1 76 GLN HG2 5.500 . 5.500 4.502 3.044 5.485 . 0 0 "[ . 1 . 2]" 1
1068 1 72 ASP HB3 1 76 GLN HG3 5.500 . 5.500 5.098 3.757 5.667 0.167 16 0 "[ . 1 . 2]" 1
1069 1 73 SER H 1 74 THR H 4.450 . 4.450 2.744 2.601 2.877 . 0 0 "[ . 1 . 2]" 1
1070 1 73 SER HA 1 76 GLN HB2 4.040 . 4.040 2.919 2.199 3.390 . 0 0 "[ . 1 . 2]" 1
1071 1 73 SER HA 1 76 GLN HB3 4.940 . 4.940 4.473 3.735 4.980 0.040 2 0 "[ . 1 . 2]" 1
1072 1 73 SER HA 1 76 GLN HG2 5.500 . 5.500 4.026 3.242 4.627 . 0 0 "[ . 1 . 2]" 1
1073 1 73 SER HA 1 76 GLN HG3 5.500 . 5.500 3.825 2.777 5.575 0.075 16 0 "[ . 1 . 2]" 1
1074 1 73 SER HB2 1 74 THR H 5.500 . 5.500 2.798 2.243 3.887 . 0 0 "[ . 1 . 2]" 1
1075 1 73 SER HB3 1 74 THR H 5.500 . 5.500 3.672 2.455 4.103 . 0 0 "[ . 1 . 2]" 1
1076 1 74 THR H 1 75 ALA H 3.480 . 3.480 2.538 2.339 2.774 . 0 0 "[ . 1 . 2]" 1
1077 1 74 THR H 1 75 ALA MB 6.520 . 6.520 4.208 3.998 4.438 . 0 0 "[ . 1 . 2]" 1
1078 1 74 THR HA 1 77 ARG H 5.070 . 5.070 3.617 3.265 3.959 . 0 0 "[ . 1 . 2]" 1
1079 1 74 THR HA 1 77 ARG QB 4.490 . 4.490 3.149 2.598 4.460 . 0 0 "[ . 1 . 2]" 1
1080 1 74 THR HA 1 77 ARG HD2 5.500 . 5.500 4.317 2.248 5.546 0.046 3 0 "[ . 1 . 2]" 1
1081 1 74 THR HA 1 77 ARG HD3 5.500 . 5.500 4.059 2.430 5.452 . 0 0 "[ . 1 . 2]" 1
1082 1 74 THR HB 1 75 ALA H 4.260 . 4.260 2.566 2.336 2.943 . 0 0 "[ . 1 . 2]" 1
1083 1 74 THR HB 1 75 ALA MB 5.250 . 5.250 3.846 3.554 4.142 . 0 0 "[ . 1 . 2]" 1
1084 1 74 THR MG 1 75 ALA H 6.520 . 6.520 3.722 3.553 3.999 . 0 0 "[ . 1 . 2]" 1
1085 1 74 THR MG 1 78 ASN H 6.520 . 6.520 4.350 3.842 4.905 . 0 0 "[ . 1 . 2]" 1
1086 1 75 ALA H 1 76 GLN H 3.580 . 3.580 2.696 2.549 2.828 . 0 0 "[ . 1 . 2]" 1
1087 1 75 ALA HA 1 76 GLN QG 6.380 . 6.380 5.426 5.333 6.249 . 0 0 "[ . 1 . 2]" 1
1088 1 75 ALA HA 1 78 ASN HB2 3.640 . 3.640 3.131 2.469 3.697 0.057 11 0 "[ . 1 . 2]" 1
1089 1 75 ALA HA 1 78 ASN HB3 4.350 . 4.350 3.587 2.780 4.386 0.036 12 0 "[ . 1 . 2]" 1
1090 1 75 ALA HA 1 78 ASN QD 5.340 . 5.340 3.914 2.537 5.419 0.079 19 0 "[ . 1 . 2]" 1
1091 1 75 ALA MB 1 76 GLN H 4.100 . 4.100 2.501 2.386 2.644 . 0 0 "[ . 1 . 2]" 1
1092 1 75 ALA MB 1 76 GLN HA 5.430 . 5.430 3.809 3.717 3.943 . 0 0 "[ . 1 . 2]" 1
1093 1 75 ALA MB 1 76 GLN HG2 6.520 . 6.520 3.429 3.208 4.640 . 0 0 "[ . 1 . 2]" 1
1094 1 75 ALA MB 1 76 GLN QG 6.090 . 6.090 3.358 3.159 4.315 . 0 0 "[ . 1 . 2]" 1
1095 1 75 ALA MB 1 76 GLN HG3 6.520 . 6.520 4.878 4.722 5.134 . 0 0 "[ . 1 . 2]" 1
1096 1 75 ALA MB 1 77 ARG H 6.520 . 6.520 4.474 4.364 4.640 . 0 0 "[ . 1 . 2]" 1
1097 1 76 GLN H 1 76 GLN HB2 3.390 . 3.390 2.285 2.199 2.320 . 0 0 "[ . 1 . 2]" 1
1098 1 76 GLN H 1 76 GLN HB3 3.330 . 3.330 3.509 3.476 3.521 0.191 15 0 "[ . 1 . 2]" 1
1099 1 76 GLN H 1 76 GLN HG2 4.380 . 4.380 2.489 2.342 3.386 . 0 0 "[ . 1 . 2]" 1
1100 1 76 GLN H 1 76 GLN QG 3.970 . 3.970 2.448 2.316 3.227 . 0 0 "[ . 1 . 2]" 1
1101 1 76 GLN H 1 76 GLN HG3 4.380 . 4.380 3.667 3.541 4.066 . 0 0 "[ . 1 . 2]" 1
1102 1 76 GLN H 1 77 ARG H 3.170 . 3.170 2.700 2.637 2.807 . 0 0 "[ . 1 . 2]" 1
1103 1 76 GLN HA 1 76 GLN HE21 5.500 . 5.500 3.470 2.216 4.639 . 0 0 "[ . 1 . 2]" 1
1104 1 76 GLN HA 1 79 LEU H 3.860 . 3.860 3.415 3.176 3.625 . 0 0 "[ . 1 . 2]" 1
1105 1 76 GLN HA 1 79 LEU QB 4.580 . 4.580 2.540 2.238 2.832 . 0 0 "[ . 1 . 2]" 1
1106 1 76 GLN HA 1 79 LEU MD1 6.520 . 6.520 2.694 2.357 3.055 . 0 0 "[ . 1 . 2]" 1
1107 1 76 GLN HA 1 79 LEU MD2 6.520 . 6.520 4.825 4.454 5.099 . 0 0 "[ . 1 . 2]" 1
1108 1 76 GLN HA 1 80 SER H 4.040 . 4.040 4.017 3.548 4.146 0.106 16 0 "[ . 1 . 2]" 1
1109 1 76 GLN HB2 1 77 ARG H 3.670 . 3.670 2.756 2.574 2.897 . 0 0 "[ . 1 . 2]" 1
1110 1 76 GLN HB3 1 77 ARG H 3.550 . 3.550 3.535 3.374 3.623 0.073 10 0 "[ . 1 . 2]" 1
1111 1 76 GLN HG2 1 77 ARG H 5.500 . 5.500 4.584 4.466 5.037 . 0 0 "[ . 1 . 2]" 1
1112 1 76 GLN HG3 1 77 ARG H 5.500 . 5.500 5.063 4.891 5.306 . 0 0 "[ . 1 . 2]" 1
1113 1 77 ARG H 1 77 ARG HD2 5.440 . 5.440 3.731 2.440 4.887 . 0 0 "[ . 1 . 2]" 1
1114 1 77 ARG H 1 77 ARG QD 5.210 . 5.210 3.227 2.190 4.429 . 0 0 "[ . 1 . 2]" 1
1115 1 77 ARG H 1 77 ARG HD3 5.440 . 5.440 3.716 2.286 5.655 0.215 4 0 "[ . 1 . 2]" 1
1116 1 77 ARG H 1 77 ARG HG2 5.500 . 5.500 3.517 2.035 4.504 . 0 0 "[ . 1 . 2]" 1
1117 1 77 ARG H 1 77 ARG QG 5.100 . 5.100 2.957 1.882 3.976 . 0 0 "[ . 1 . 2]" 1
1118 1 77 ARG H 1 77 ARG HG3 5.500 . 5.500 3.552 1.893 4.595 . 0 0 "[ . 1 . 2]" 1
1119 1 77 ARG H 1 78 ASN H 3.300 . 3.300 2.609 2.413 2.734 . 0 0 "[ . 1 . 2]" 1
1120 1 77 ARG HA 1 77 ARG HD2 5.500 . 5.500 3.486 2.079 5.115 . 0 0 "[ . 1 . 2]" 1
1121 1 77 ARG HA 1 77 ARG HD3 5.500 . 5.500 3.717 1.974 4.962 . 0 0 "[ . 1 . 2]" 1
1122 1 77 ARG HA 1 80 SER H 4.200 . 4.200 3.419 3.050 3.959 . 0 0 "[ . 1 . 2]" 1
1123 1 77 ARG HB2 1 78 ASN H 5.500 . 5.500 3.079 2.437 4.009 . 0 0 "[ . 1 . 2]" 1
1124 1 77 ARG HB3 1 78 ASN H 5.500 . 5.500 3.428 2.532 4.253 . 0 0 "[ . 1 . 2]" 1
1125 1 77 ARG QD 1 78 ASN H 5.080 . 5.080 4.222 2.517 4.770 . 0 0 "[ . 1 . 2]" 1
1126 1 77 ARG HD2 1 78 ASN H 5.500 . 5.500 4.808 2.759 5.594 0.094 9 0 "[ . 1 . 2]" 1
1127 1 77 ARG HD3 1 78 ASN H 5.500 . 5.500 4.828 2.612 5.658 0.158 13 0 "[ . 1 . 2]" 1
1128 1 77 ARG HG2 1 78 ASN H 5.500 . 5.500 4.523 2.640 5.274 . 0 0 "[ . 1 . 2]" 1
1129 1 77 ARG HG3 1 78 ASN H 5.500 . 5.500 4.545 2.685 5.209 . 0 0 "[ . 1 . 2]" 1
1130 1 78 ASN H 1 78 ASN HB2 3.480 . 3.480 2.399 2.264 2.575 . 0 0 "[ . 1 . 2]" 1
1131 1 78 ASN H 1 78 ASN HB3 4.110 . 4.110 3.040 2.454 3.616 . 0 0 "[ . 1 . 2]" 1
1132 1 78 ASN H 1 78 ASN HD21 5.500 . 5.500 4.335 2.432 4.751 . 0 0 "[ . 1 . 2]" 1
1133 1 78 ASN H 1 78 ASN QD 4.800 . 4.800 4.099 2.408 4.539 . 0 0 "[ . 1 . 2]" 1
1134 1 78 ASN H 1 78 ASN HD22 5.500 . 5.500 5.167 3.868 5.769 0.269 17 0 "[ . 1 . 2]" 1
1135 1 78 ASN HA 1 79 LEU H 3.450 . 3.450 3.518 3.457 3.543 0.093 16 0 "[ . 1 . 2]" 1
1136 1 78 ASN HB2 1 79 LEU H 4.010 . 4.010 3.260 2.478 3.985 . 0 0 "[ . 1 . 2]" 1
1137 1 78 ASN HB3 1 79 LEU H 4.110 . 4.110 2.995 2.314 3.589 . 0 0 "[ . 1 . 2]" 1
1138 1 79 LEU H 1 79 LEU HB2 3.640 . 3.640 2.422 2.336 2.479 . 0 0 "[ . 1 . 2]" 1
1139 1 79 LEU H 1 79 LEU QB 3.420 . 3.420 2.386 2.306 2.437 . 0 0 "[ . 1 . 2]" 1
1140 1 79 LEU H 1 79 LEU HB3 3.640 . 3.640 3.587 3.557 3.614 . 0 0 "[ . 1 . 2]" 1
1141 1 79 LEU H 1 79 LEU MD1 5.560 . 5.560 3.679 3.583 3.783 . 0 0 "[ . 1 . 2]" 1
1142 1 79 LEU H 1 79 LEU MD2 5.190 . 5.190 3.422 3.278 3.588 . 0 0 "[ . 1 . 2]" 1
1143 1 79 LEU H 1 79 LEU HG 3.300 . 3.300 2.436 2.239 2.646 . 0 0 "[ . 1 . 2]" 1
1144 1 79 LEU H 1 80 SER H 3.480 . 3.480 2.583 2.296 2.686 . 0 0 "[ . 1 . 2]" 1
1145 1 79 LEU HA 1 80 SER H 3.520 . 3.520 3.498 3.446 3.538 0.018 1 0 "[ . 1 . 2]" 1
1146 1 79 LEU HA 1 82 ILE MD 4.440 . 4.440 2.737 2.016 4.095 . 0 0 "[ . 1 . 2]" 1
1147 1 79 LEU HA 1 82 ILE MG 6.520 . 6.520 4.498 3.707 5.596 . 0 0 "[ . 1 . 2]" 1
1148 1 79 LEU HA 1 83 LYS H 4.690 . 4.690 4.285 3.988 4.699 0.009 11 0 "[ . 1 . 2]" 1
1149 1 79 LEU HB2 1 80 SER H 3.730 . 3.730 2.827 2.686 3.052 . 0 0 "[ . 1 . 2]" 1
1150 1 79 LEU HB2 1 103 PHE QE 7.510 . 7.510 6.600 4.765 7.548 0.038 9 0 "[ . 1 . 2]" 1
1151 1 79 LEU HB3 1 80 SER H 3.730 . 3.730 3.732 3.593 3.828 0.098 15 0 "[ . 1 . 2]" 1
1152 1 79 LEU HB3 1 103 PHE QE 7.510 . 7.510 6.175 3.989 7.010 . 0 0 "[ . 1 . 2]" 1
1153 1 79 LEU MD1 1 80 SER H 6.520 . 6.520 4.712 4.559 4.925 . 0 0 "[ . 1 . 2]" 1
1154 1 79 LEU MD1 1 82 ILE MD 7.540 . 7.540 4.753 4.157 6.215 . 0 0 "[ . 1 . 2]" 1
1155 1 79 LEU MD1 1 103 PHE QD 8.650 . 8.650 5.429 4.505 6.375 . 0 0 "[ . 1 . 2]" 1
1156 1 79 LEU MD1 1 103 PHE QE 8.650 . 8.650 4.143 2.512 4.637 . 0 0 "[ . 1 . 2]" 1
1157 1 79 LEU MD2 1 82 ILE MD 7.070 . 7.070 2.447 1.702 4.041 . 0 0 "[ . 1 . 2]" 1
1158 1 79 LEU HG 1 80 SER H 5.500 . 5.500 4.503 4.313 4.750 . 0 0 "[ . 1 . 2]" 1
1159 1 79 LEU HG 1 103 PHE QE 7.630 . 7.630 7.126 5.396 7.678 0.048 16 0 "[ . 1 . 2]" 1
1160 1 80 SER H 1 81 THR H 3.610 . 3.610 2.707 2.529 2.903 . 0 0 "[ . 1 . 2]" 1
1161 1 80 SER H 1 83 LYS H 5.160 . 5.160 4.674 4.423 5.034 . 0 0 "[ . 1 . 2]" 1
1162 1 81 THR H 1 82 ILE H 3.730 . 3.730 2.608 2.436 2.822 . 0 0 "[ . 1 . 2]" 1
1163 1 81 THR H 1 84 ILE QG 6.380 . 6.380 4.589 4.144 5.131 . 0 0 "[ . 1 . 2]" 1
1164 1 81 THR HA 1 84 ILE MD 5.930 . 5.930 3.503 2.200 4.749 . 0 0 "[ . 1 . 2]" 1
1165 1 81 THR HA 1 85 TYR H 5.190 . 5.190 5.031 4.450 5.276 0.086 6 0 "[ . 1 . 2]" 1
1166 1 81 THR HB 1 82 ILE H 3.760 . 3.760 3.271 2.504 3.780 0.020 20 0 "[ . 1 . 2]" 1
1167 1 82 ILE H 1 82 ILE HG12 4.600 . 4.600 3.430 3.166 3.715 . 0 0 "[ . 1 . 2]" 1
1168 1 82 ILE H 1 82 ILE QG 4.220 . 4.220 2.120 1.899 2.374 . 0 0 "[ . 1 . 2]" 1
1169 1 82 ILE H 1 82 ILE HG13 4.600 . 4.600 2.141 1.914 2.403 . 0 0 "[ . 1 . 2]" 1
1170 1 82 ILE H 1 83 LYS H 3.080 . 3.080 2.569 2.403 2.741 . 0 0 "[ . 1 . 2]" 1
1171 1 82 ILE HA 1 85 TYR H 3.610 . 3.610 3.510 3.182 3.689 0.079 15 0 "[ . 1 . 2]" 1
1172 1 82 ILE HB 1 83 LYS H 3.360 . 3.360 2.641 2.351 2.853 . 0 0 "[ . 1 . 2]" 1
1173 1 82 ILE MD 1 83 LYS H 6.520 . 6.520 4.562 4.344 4.718 . 0 0 "[ . 1 . 2]" 1
1174 1 82 ILE QG 1 83 LYS H 4.760 . 4.760 3.984 3.765 4.187 . 0 0 "[ . 1 . 2]" 1
1175 1 82 ILE HG12 1 83 LYS H 5.500 . 5.500 4.976 4.854 5.170 . 0 0 "[ . 1 . 2]" 1
1176 1 82 ILE HG13 1 83 LYS H 5.500 . 5.500 4.194 3.922 4.425 . 0 0 "[ . 1 . 2]" 1
1177 1 82 ILE MG 1 83 LYS H 4.880 . 4.880 3.468 3.159 3.647 . 0 0 "[ . 1 . 2]" 1
1178 1 82 ILE MG 1 85 TYR QD 8.460 . 8.460 3.413 2.714 4.264 . 0 0 "[ . 1 . 2]" 1
1179 1 82 ILE MG 1 86 VAL H 6.330 . 6.330 3.704 3.340 4.139 . 0 0 "[ . 1 . 2]" 1
1180 1 82 ILE MG 1 86 VAL MG1 7.540 . 7.540 4.189 3.914 4.577 . 0 0 "[ . 1 . 2]" 1
1181 1 82 ILE MG 1 86 VAL MG2 6.080 . 6.080 2.136 1.882 2.502 . 0 0 "[ . 1 . 2]" 1
1182 1 83 LYS H 1 83 LYS HB2 3.480 . 3.480 2.621 2.057 3.608 0.128 12 0 "[ . 1 . 2]" 1
1183 1 83 LYS H 1 83 LYS QB 3.290 . 3.290 2.251 2.030 2.508 . 0 0 "[ . 1 . 2]" 1
1184 1 83 LYS H 1 83 LYS HB3 3.480 . 3.480 2.720 2.365 3.556 0.076 9 0 "[ . 1 . 2]" 1
1185 1 83 LYS H 1 83 LYS HD2 5.380 . 5.380 4.800 4.181 5.300 . 0 0 "[ . 1 . 2]" 1
1186 1 83 LYS H 1 83 LYS QD 5.180 . 5.180 4.237 3.641 4.487 . 0 0 "[ . 1 . 2]" 1
1187 1 83 LYS H 1 83 LYS HD3 5.380 . 5.380 4.785 3.789 5.234 . 0 0 "[ . 1 . 2]" 1
1188 1 83 LYS H 1 83 LYS HG2 5.130 . 5.130 3.936 2.372 4.583 . 0 0 "[ . 1 . 2]" 1
1189 1 83 LYS H 1 83 LYS QG 4.810 . 4.810 3.428 2.255 4.011 . 0 0 "[ . 1 . 2]" 1
1190 1 83 LYS H 1 83 LYS HG3 5.130 . 5.130 3.949 2.291 4.557 . 0 0 "[ . 1 . 2]" 1
1191 1 83 LYS H 1 84 ILE H 3.640 . 3.640 2.775 2.683 2.907 . 0 0 "[ . 1 . 2]" 1
1192 1 83 LYS H 1 85 TYR H 5.000 . 5.000 4.470 4.120 4.732 . 0 0 "[ . 1 . 2]" 1
1193 1 83 LYS HA 1 83 LYS HD2 5.500 . 5.500 4.022 2.367 4.581 . 0 0 "[ . 1 . 2]" 1
1194 1 83 LYS HA 1 83 LYS HD3 5.500 . 5.500 3.726 1.923 4.714 . 0 0 "[ . 1 . 2]" 1
1195 1 83 LYS HA 1 84 ILE H 3.550 . 3.550 3.524 3.479 3.573 0.023 14 0 "[ . 1 . 2]" 1
1196 1 83 LYS HA 1 85 TYR H 4.630 . 4.630 4.421 4.183 4.676 0.046 4 0 "[ . 1 . 2]" 1
1197 1 83 LYS HA 1 86 VAL H 3.670 . 3.670 3.426 3.119 3.723 0.053 15 0 "[ . 1 . 2]" 1
1198 1 83 LYS HA 1 86 VAL HB 3.390 . 3.390 2.403 1.867 2.997 . 0 0 "[ . 1 . 2]" 1
1199 1 83 LYS HA 1 86 VAL MG1 5.430 . 5.430 3.781 3.334 4.319 . 0 0 "[ . 1 . 2]" 1
1200 1 83 LYS HA 1 86 VAL MG2 5.120 . 5.120 3.110 2.608 3.788 . 0 0 "[ . 1 . 2]" 1
1201 1 83 LYS HA 1 87 SER H 4.570 . 4.570 3.484 3.345 3.684 . 0 0 "[ . 1 . 2]" 1
1202 1 83 LYS HA 1 87 SER HB2 4.320 . 4.320 4.461 4.334 4.580 0.260 3 0 "[ . 1 . 2]" 1
1203 1 83 LYS QB 1 84 ILE H 3.970 . 3.970 2.883 2.455 3.641 . 0 0 "[ . 1 . 2]" 1
1204 1 83 LYS HB2 1 83 LYS HD2 4.140 . 4.140 3.117 2.486 3.670 . 0 0 "[ . 1 . 2]" 1
1205 1 83 LYS HB2 1 83 LYS HD3 4.140 . 4.140 3.253 2.146 3.856 . 0 0 "[ . 1 . 2]" 1
1206 1 83 LYS HB2 1 83 LYS HE2 5.500 . 5.500 4.681 4.039 5.500 0.000 19 0 "[ . 1 . 2]" 1
1207 1 83 LYS HB2 1 83 LYS HE3 5.500 . 5.500 4.574 4.013 4.978 . 0 0 "[ . 1 . 2]" 1
1208 1 83 LYS HB2 1 84 ILE H 4.260 . 4.260 3.776 2.553 4.073 . 0 0 "[ . 1 . 2]" 1
1209 1 83 LYS HB3 1 83 LYS HD2 4.140 . 4.140 2.867 2.276 3.902 . 0 0 "[ . 1 . 2]" 1
1210 1 83 LYS HB3 1 83 LYS HD3 4.140 . 4.140 2.910 2.350 3.689 . 0 0 "[ . 1 . 2]" 1
1211 1 83 LYS HB3 1 83 LYS HE2 5.500 . 5.500 4.552 4.138 5.343 . 0 0 "[ . 1 . 2]" 1
1212 1 83 LYS HB3 1 83 LYS HE3 5.500 . 5.500 4.515 4.029 4.872 . 0 0 "[ . 1 . 2]" 1
1213 1 83 LYS HB3 1 84 ILE H 4.260 . 4.260 3.106 2.612 4.157 . 0 0 "[ . 1 . 2]" 1
1214 1 83 LYS QD 1 103 PHE QD 8.510 . 8.510 7.907 6.577 8.582 0.072 19 0 "[ . 1 . 2]" 1
1215 1 83 LYS HD2 1 84 ILE H 5.500 . 5.500 4.572 2.852 5.575 0.075 9 0 "[ . 1 . 2]" 1
1216 1 83 LYS HD2 1 87 SER HB2 5.500 . 5.500 4.601 2.931 5.632 0.132 6 0 "[ . 1 . 2]" 1
1217 1 83 LYS HD3 1 84 ILE H 5.500 . 5.500 4.534 3.599 5.516 0.016 3 0 "[ . 1 . 2]" 1
1218 1 83 LYS HD3 1 87 SER HB2 5.500 . 5.500 4.203 2.492 5.561 0.061 9 0 "[ . 1 . 2]" 1
1219 1 83 LYS QE 1 103 PHE QD 8.510 . 8.510 7.375 4.928 8.528 0.018 6 0 "[ . 1 . 2]" 1
1220 1 83 LYS QG 1 84 ILE H 6.380 . 6.380 3.751 2.284 4.670 . 0 0 "[ . 1 . 2]" 1
1221 1 83 LYS QG 1 103 PHE QD 8.510 . 8.510 7.265 6.191 8.317 . 0 0 "[ . 1 . 2]" 1
1222 1 84 ILE H 1 84 ILE HB 2.960 . 2.960 2.537 2.432 2.604 . 0 0 "[ . 1 . 2]" 1
1223 1 84 ILE H 1 84 ILE MD 5.280 . 5.280 3.346 3.102 3.659 . 0 0 "[ . 1 . 2]" 1
1224 1 84 ILE H 1 84 ILE HG12 5.410 . 5.410 2.646 2.028 3.603 . 0 0 "[ . 1 . 2]" 1
1225 1 84 ILE H 1 84 ILE QG 4.750 . 4.750 2.120 1.980 2.330 . 0 0 "[ . 1 . 2]" 1
1226 1 84 ILE H 1 84 ILE HG13 5.410 . 5.410 3.023 1.997 3.676 . 0 0 "[ . 1 . 2]" 1
1227 1 84 ILE H 1 85 TYR H 3.450 . 3.450 2.800 2.599 2.962 . 0 0 "[ . 1 . 2]" 1
1228 1 84 ILE HA 1 87 SER H 4.450 . 4.450 3.768 3.665 3.872 . 0 0 "[ . 1 . 2]" 1
1229 1 84 ILE HA 1 87 SER HB2 3.700 . 3.700 2.753 2.608 2.930 . 0 0 "[ . 1 . 2]" 1
1230 1 84 ILE HA 1 87 SER HB3 3.950 . 3.950 4.024 3.813 4.091 0.141 15 0 "[ . 1 . 2]" 1
1231 1 84 ILE HA 1 88 ALA H 4.540 . 4.540 4.119 3.777 4.538 . 0 0 "[ . 1 . 2]" 1
1232 1 84 ILE HB 1 85 TYR H 3.170 . 3.170 2.577 2.448 2.827 . 0 0 "[ . 1 . 2]" 1
1233 1 84 ILE HB 1 85 TYR HA 4.790 . 4.790 4.327 4.246 4.449 . 0 0 "[ . 1 . 2]" 1
1234 1 84 ILE MD 1 85 TYR H 5.960 . 5.960 4.619 4.417 4.752 . 0 0 "[ . 1 . 2]" 1
1235 1 84 ILE QG 1 85 TYR H 6.380 . 6.380 4.039 3.908 4.190 . 0 0 "[ . 1 . 2]" 1
1236 1 84 ILE MG 1 85 TYR H 6.520 . 6.520 3.321 3.023 3.596 . 0 0 "[ . 1 . 2]" 1
1237 1 84 ILE MG 1 85 TYR HA 4.350 . 4.350 3.292 3.002 3.584 . 0 0 "[ . 1 . 2]" 1
1238 1 85 TYR H 1 85 TYR HB2 3.450 . 3.450 3.065 2.501 3.613 0.163 10 0 "[ . 1 . 2]" 1
1239 1 85 TYR H 1 85 TYR HB3 3.450 . 3.450 2.409 2.273 2.600 . 0 0 "[ . 1 . 2]" 1
1240 1 85 TYR H 1 86 VAL H 3.050 . 3.050 2.536 2.451 2.630 . 0 0 "[ . 1 . 2]" 1
1241 1 85 TYR H 1 86 VAL HB 4.630 . 4.630 4.676 4.613 4.736 0.106 9 0 "[ . 1 . 2]" 1
1242 1 85 TYR H 1 86 VAL MG2 6.150 . 6.150 4.003 3.804 4.193 . 0 0 "[ . 1 . 2]" 1
1243 1 85 TYR H 1 88 ALA MB 6.520 . 6.520 4.777 4.588 5.270 . 0 0 "[ . 1 . 2]" 1
1244 1 85 TYR HA 1 88 ALA H 5.500 . 5.500 3.455 3.098 3.820 . 0 0 "[ . 1 . 2]" 1
1245 1 85 TYR HA 1 88 ALA MB 4.600 . 4.600 2.713 2.360 3.144 . 0 0 "[ . 1 . 2]" 1
1246 1 85 TYR QB 1 86 VAL H 4.390 . 4.390 2.915 2.343 3.581 . 0 0 "[ . 1 . 2]" 1
1247 1 85 TYR QB 1 88 ALA MB 7.400 . 7.400 4.203 3.638 4.705 . 0 0 "[ . 1 . 2]" 1
1248 1 85 TYR HB2 1 86 VAL H 4.660 . 4.660 3.967 3.690 4.206 . 0 0 "[ . 1 . 2]" 1
1249 1 85 TYR HB3 1 86 VAL H 4.660 . 4.660 3.052 2.366 3.946 . 0 0 "[ . 1 . 2]" 1
1250 1 85 TYR QD 1 89 ALA MB 8.650 . 8.650 3.868 3.122 4.664 . 0 0 "[ . 1 . 2]" 1
1251 1 85 TYR QE 1 89 ALA MB 8.650 . 8.650 4.099 3.192 5.450 . 0 0 "[ . 1 . 2]" 1
1252 1 86 VAL H 1 86 VAL HB 3.050 . 3.050 2.489 2.449 2.577 . 0 0 "[ . 1 . 2]" 1
1253 1 86 VAL H 1 86 VAL MG2 4.350 . 4.350 2.127 1.876 2.225 . 0 0 "[ . 1 . 2]" 1
1254 1 86 VAL H 1 87 SER H 3.270 . 3.270 2.684 2.477 2.808 . 0 0 "[ . 1 . 2]" 1
1255 1 86 VAL HA 1 89 ALA H 4.450 . 4.450 3.409 3.149 3.703 . 0 0 "[ . 1 . 2]" 1
1256 1 86 VAL HA 1 89 ALA MB 4.410 . 4.410 2.620 2.389 2.987 . 0 0 "[ . 1 . 2]" 1
1257 1 86 VAL HA 1 95 MET ME 5.810 . 5.810 4.670 4.126 5.439 . 0 0 "[ . 1 . 2]" 1
1258 1 86 VAL HA 1 95 MET QG 6.380 . 6.380 3.729 2.796 5.480 . 0 0 "[ . 1 . 2]" 1
1259 1 86 VAL HB 1 87 SER H 3.610 . 3.610 2.460 2.214 2.661 . 0 0 "[ . 1 . 2]" 1
1260 1 86 VAL HB 1 90 ILE MD 6.520 . 6.520 4.145 3.367 5.053 . 0 0 "[ . 1 . 2]" 1
1261 1 86 VAL HB 1 99 PRO HD2 5.500 . 5.500 4.612 3.701 5.342 . 0 0 "[ . 1 . 2]" 1
1262 1 86 VAL HB 1 99 PRO HD3 5.500 . 5.500 4.846 4.199 5.496 . 0 0 "[ . 1 . 2]" 1
1263 1 86 VAL HB 1 99 PRO HG2 5.500 . 5.500 4.948 3.746 5.510 0.010 8 0 "[ . 1 . 2]" 1
1264 1 86 VAL HB 1 99 PRO HG3 5.500 . 5.500 4.792 3.834 5.516 0.016 10 0 "[ . 1 . 2]" 1
1265 1 86 VAL MG1 1 87 SER H 6.520 . 6.520 3.257 3.080 3.445 . 0 0 "[ . 1 . 2]" 1
1266 1 86 VAL MG1 1 90 ILE H 6.150 . 6.150 4.176 3.820 4.498 . 0 0 "[ . 1 . 2]" 1
1267 1 86 VAL MG1 1 90 ILE MD 6.210 . 6.210 2.266 1.851 2.951 . 0 0 "[ . 1 . 2]" 1
1268 1 86 VAL MG1 1 90 ILE HG12 5.000 . 5.000 3.522 2.968 4.179 . 0 0 "[ . 1 . 2]" 1
1269 1 86 VAL MG1 1 90 ILE QG 4.690 . 4.690 2.666 2.168 3.209 . 0 0 "[ . 1 . 2]" 1
1270 1 86 VAL MG1 1 90 ILE HG13 5.000 . 5.000 2.763 2.228 3.334 . 0 0 "[ . 1 . 2]" 1
1271 1 86 VAL MG1 1 95 MET QB 6.970 . 6.970 3.266 2.865 4.103 . 0 0 "[ . 1 . 2]" 1
1272 1 86 VAL MG1 1 95 MET ME 5.620 . 5.620 2.437 1.983 3.038 . 0 0 "[ . 1 . 2]" 1
1273 1 86 VAL MG1 1 95 MET QG 6.250 . 6.250 2.673 1.804 4.654 . 0 0 "[ . 1 . 2]" 1
1274 1 86 VAL MG1 1 98 ASP HA 6.520 . 6.520 3.436 2.211 4.327 . 0 0 "[ . 1 . 2]" 1
1275 1 86 VAL MG1 1 98 ASP QB 7.400 . 7.400 4.188 2.451 5.553 . 0 0 "[ . 1 . 2]" 1
1276 1 86 VAL MG1 1 99 PRO HD2 4.160 . 4.160 2.933 1.900 3.897 . 0 0 "[ . 1 . 2]" 1
1277 1 86 VAL MG1 1 99 PRO QD 3.970 . 3.970 2.377 1.823 3.131 . 0 0 "[ . 1 . 2]" 1
1278 1 86 VAL MG1 1 99 PRO HD3 4.160 . 4.160 2.585 2.029 3.299 . 0 0 "[ . 1 . 2]" 1
1279 1 86 VAL MG1 1 99 PRO HG2 5.190 . 5.190 3.423 2.019 4.478 . 0 0 "[ . 1 . 2]" 1
1280 1 86 VAL MG1 1 99 PRO QG 4.970 . 4.970 2.648 1.912 3.231 . 0 0 "[ . 1 . 2]" 1
1281 1 86 VAL MG1 1 99 PRO HG3 5.190 . 5.190 2.852 2.164 3.514 . 0 0 "[ . 1 . 2]" 1
1282 1 86 VAL MG2 1 87 SER H 5.770 . 5.770 3.785 3.583 3.879 . 0 0 "[ . 1 . 2]" 1
1283 1 86 VAL MG2 1 90 ILE MD 7.510 . 7.510 4.646 4.173 5.247 . 0 0 "[ . 1 . 2]" 1
1284 1 86 VAL MG2 1 99 PRO HG2 6.520 . 6.520 4.360 3.031 5.383 . 0 0 "[ . 1 . 2]" 1
1285 1 86 VAL MG2 1 99 PRO HG3 6.520 . 6.520 3.778 3.027 5.043 . 0 0 "[ . 1 . 2]" 1
1286 1 87 SER H 1 87 SER HB3 4.070 . 4.070 3.441 3.344 3.519 . 0 0 "[ . 1 . 2]" 1
1287 1 87 SER H 1 88 ALA H 3.210 . 3.210 2.742 2.662 2.841 . 0 0 "[ . 1 . 2]" 1
1288 1 87 SER H 1 88 ALA MB 6.520 . 6.520 4.428 4.350 4.521 . 0 0 "[ . 1 . 2]" 1
1289 1 87 SER HA 1 90 ILE HB 3.520 . 3.520 2.833 2.183 3.506 . 0 0 "[ . 1 . 2]" 1
1290 1 87 SER HA 1 90 ILE MD 4.630 . 4.630 2.048 1.503 2.577 . 0 0 "[ . 1 . 2]" 1
1291 1 87 SER HA 1 90 ILE MG 5.400 . 5.400 4.086 3.605 4.622 . 0 0 "[ . 1 . 2]" 1
1292 1 87 SER HB2 1 88 ALA H 3.080 . 3.080 2.969 2.744 3.139 0.059 10 0 "[ . 1 . 2]" 1
1293 1 87 SER HB2 1 90 ILE MD 5.500 . 5.500 4.465 3.900 4.963 . 0 0 "[ . 1 . 2]" 1
1294 1 87 SER HB3 1 88 ALA H 3.550 . 3.550 3.331 3.139 3.559 0.009 12 0 "[ . 1 . 2]" 1
1295 1 87 SER HB3 1 88 ALA MB 5.930 . 5.930 4.465 4.224 4.714 . 0 0 "[ . 1 . 2]" 1
1296 1 87 SER HB3 1 89 ALA H 5.340 . 5.340 5.340 5.240 5.397 0.057 5 0 "[ . 1 . 2]" 1
1297 1 88 ALA H 1 88 ALA MB 3.480 . 3.480 2.247 2.230 2.260 . 0 0 "[ . 1 . 2]" 1
1298 1 88 ALA H 1 89 ALA H 3.140 . 3.140 2.578 2.463 2.759 . 0 0 "[ . 1 . 2]" 1
1299 1 88 ALA H 1 89 ALA MB 6.520 . 6.520 4.277 4.157 4.450 . 0 0 "[ . 1 . 2]" 1
1300 1 88 ALA H 1 90 ILE H 4.600 . 4.600 3.920 3.826 4.058 . 0 0 "[ . 1 . 2]" 1
1301 1 88 ALA HA 1 91 LYS H 3.580 . 3.580 3.401 3.218 3.646 0.066 10 0 "[ . 1 . 2]" 1
1302 1 88 ALA HA 1 91 LYS QB 4.460 . 4.460 2.957 2.261 3.973 . 0 0 "[ . 1 . 2]" 1
1303 1 88 ALA MB 1 91 LYS QB 6.590 . 6.590 4.106 3.653 5.110 . 0 0 "[ . 1 . 2]" 1
1304 1 89 ALA H 1 90 ILE H 3.420 . 3.420 2.538 2.401 2.636 . 0 0 "[ . 1 . 2]" 1
1305 1 89 ALA HA 1 90 ILE HA 4.570 . 4.570 4.690 4.645 4.757 0.187 5 0 "[ . 1 . 2]" 1
1306 1 89 ALA HA 1 92 LYS H 3.890 . 3.890 3.570 3.036 3.921 0.031 1 0 "[ . 1 . 2]" 1
1307 1 89 ALA HA 1 93 GLY QA 5.640 . 5.640 3.145 1.680 5.725 0.085 18 0 "[ . 1 . 2]" 1
1308 1 89 ALA HA 1 94 TYR H 4.690 . 4.690 3.499 2.887 4.176 . 0 0 "[ . 1 . 2]" 1
1309 1 89 ALA HA 1 95 MET QB 6.260 . 6.260 4.695 4.245 5.348 . 0 0 "[ . 1 . 2]" 1
1310 1 89 ALA MB 1 90 ILE MD 7.540 . 7.540 4.534 4.315 4.753 . 0 0 "[ . 1 . 2]" 1
1311 1 89 ALA MB 1 90 ILE QG 7.400 . 7.400 3.262 3.058 3.465 . 0 0 "[ . 1 . 2]" 1
1312 1 89 ALA MB 1 94 TYR H 6.520 . 6.520 3.008 2.378 3.742 . 0 0 "[ . 1 . 2]" 1
1313 1 89 ALA MB 1 95 MET H 5.530 . 5.530 2.762 2.225 3.248 . 0 0 "[ . 1 . 2]" 1
1314 1 89 ALA MB 1 95 MET HB2 4.940 . 4.940 2.843 2.127 3.383 . 0 0 "[ . 1 . 2]" 1
1315 1 89 ALA MB 1 95 MET QB 4.780 . 4.780 2.786 2.101 3.274 . 0 0 "[ . 1 . 2]" 1
1316 1 89 ALA MB 1 95 MET HB3 4.940 . 4.940 4.042 3.260 4.584 . 0 0 "[ . 1 . 2]" 1
1317 1 89 ALA MB 1 95 MET ME 7.540 . 7.540 4.503 4.126 5.241 . 0 0 "[ . 1 . 2]" 1
1318 1 89 ALA MB 1 95 MET HG2 6.520 . 6.520 3.123 2.220 5.000 . 0 0 "[ . 1 . 2]" 1
1319 1 89 ALA MB 1 95 MET QG 6.180 . 6.180 2.619 2.089 4.220 . 0 0 "[ . 1 . 2]" 1
1320 1 89 ALA MB 1 95 MET HG3 6.520 . 6.520 2.959 2.461 4.547 . 0 0 "[ . 1 . 2]" 1
1321 1 90 ILE H 1 90 ILE HB 3.080 . 3.080 2.524 2.459 2.583 . 0 0 "[ . 1 . 2]" 1
1322 1 90 ILE H 1 90 ILE HG12 5.500 . 5.500 3.509 3.398 3.669 . 0 0 "[ . 1 . 2]" 1
1323 1 90 ILE H 1 90 ILE QG 5.030 . 5.030 2.183 2.024 2.315 . 0 0 "[ . 1 . 2]" 1
1324 1 90 ILE H 1 90 ILE HG13 5.500 . 5.500 2.205 2.039 2.343 . 0 0 "[ . 1 . 2]" 1
1325 1 90 ILE H 1 91 LYS H 3.390 . 3.390 2.482 2.331 2.714 . 0 0 "[ . 1 . 2]" 1
1326 1 90 ILE HA 1 94 TYR H 3.920 . 3.920 3.854 3.272 4.000 0.080 2 0 "[ . 1 . 2]" 1
1327 1 90 ILE HA 1 95 MET H 3.610 . 3.610 3.228 2.636 3.671 0.061 11 0 "[ . 1 . 2]" 1
1328 1 90 ILE HA 1 95 MET HB2 5.040 . 5.040 2.675 1.686 3.752 . 0 0 "[ . 1 . 2]" 1
1329 1 90 ILE HA 1 95 MET QB 4.600 . 4.600 2.483 1.678 3.194 . 0 0 "[ . 1 . 2]" 1
1330 1 90 ILE HA 1 95 MET HB3 5.040 . 5.040 3.521 2.462 4.402 . 0 0 "[ . 1 . 2]" 1
1331 1 90 ILE HA 1 95 MET QG 6.380 . 6.380 4.315 3.515 4.957 . 0 0 "[ . 1 . 2]" 1
1332 1 90 ILE HA 1 96 GLU H 5.440 . 5.440 4.918 4.187 5.497 0.057 12 0 "[ . 1 . 2]" 1
1333 1 90 ILE HB 1 91 LYS H 3.330 . 3.330 2.737 2.353 2.942 . 0 0 "[ . 1 . 2]" 1
1334 1 90 ILE HB 1 98 ASP QB 6.380 . 6.380 5.267 4.138 6.368 . 0 0 "[ . 1 . 2]" 1
1335 1 90 ILE MD 1 91 LYS H 6.520 . 6.520 4.611 4.252 4.789 . 0 0 "[ . 1 . 2]" 1
1336 1 90 ILE MD 1 95 MET HB2 5.900 . 5.900 3.888 3.536 4.642 . 0 0 "[ . 1 . 2]" 1
1337 1 90 ILE MD 1 95 MET QB 5.620 . 5.620 3.259 2.990 3.479 . 0 0 "[ . 1 . 2]" 1
1338 1 90 ILE MD 1 95 MET HB3 5.900 . 5.900 3.545 3.066 4.069 . 0 0 "[ . 1 . 2]" 1
1339 1 90 ILE MD 1 95 MET ME 6.700 . 6.700 3.567 2.638 4.393 . 0 0 "[ . 1 . 2]" 1
1340 1 90 ILE MD 1 95 MET QG 7.400 . 7.400 4.115 3.380 5.203 . 0 0 "[ . 1 . 2]" 1
1341 1 90 ILE MD 1 97 ASN HB2 6.520 . 6.520 5.458 4.526 6.534 0.014 11 0 "[ . 1 . 2]" 1
1342 1 90 ILE MD 1 97 ASN HB3 6.520 . 6.520 5.291 3.959 6.284 . 0 0 "[ . 1 . 2]" 1
1343 1 90 ILE MD 1 98 ASP H 6.520 . 6.520 3.248 2.558 4.007 . 0 0 "[ . 1 . 2]" 1
1344 1 90 ILE MD 1 98 ASP HA 4.070 . 4.070 2.234 1.546 2.952 . 0 0 "[ . 1 . 2]" 1
1345 1 90 ILE MD 1 98 ASP HB2 5.340 . 5.340 3.317 2.682 4.138 . 0 0 "[ . 1 . 2]" 1
1346 1 90 ILE MD 1 98 ASP QB 5.050 . 5.050 2.487 1.620 3.421 . 0 0 "[ . 1 . 2]" 1
1347 1 90 ILE MD 1 98 ASP HB3 5.340 . 5.340 2.790 1.631 4.410 . 0 0 "[ . 1 . 2]" 1
1348 1 90 ILE MD 1 99 PRO HD2 6.520 . 6.520 3.331 2.648 4.477 . 0 0 "[ . 1 . 2]" 1
1349 1 90 ILE MD 1 99 PRO QD 5.660 . 5.660 2.809 1.825 4.090 . 0 0 "[ . 1 . 2]" 1
1350 1 90 ILE MD 1 99 PRO HD3 6.520 . 6.520 3.130 1.845 4.940 . 0 0 "[ . 1 . 2]" 1
1351 1 90 ILE MD 1 99 PRO HG2 6.520 . 6.520 4.959 3.427 6.463 . 0 0 "[ . 1 . 2]" 1
1352 1 90 ILE MD 1 99 PRO QG 6.020 . 6.020 4.331 2.974 5.787 . 0 0 "[ . 1 . 2]" 1
1353 1 90 ILE MD 1 99 PRO HG3 6.520 . 6.520 4.791 3.263 6.563 0.043 13 0 "[ . 1 . 2]" 1
1354 1 90 ILE MD 1 101 LYS QG 7.400 . 7.400 5.742 4.807 6.803 . 0 0 "[ . 1 . 2]" 1
1355 1 90 ILE QG 1 94 TYR H 6.380 . 6.380 5.154 4.944 5.541 . 0 0 "[ . 1 . 2]" 1
1356 1 90 ILE QG 1 95 MET H 6.380 . 6.380 4.051 3.670 4.309 . 0 0 "[ . 1 . 2]" 1
1357 1 90 ILE QG 1 95 MET QB 4.520 . 4.520 1.945 1.567 2.373 . 0 0 "[ . 1 . 2]" 1
1358 1 90 ILE QG 1 95 MET ME 5.790 . 5.790 3.464 2.796 4.253 . 0 0 "[ . 1 . 2]" 1
1359 1 90 ILE QG 1 95 MET QG 6.320 . 6.320 3.207 2.382 4.221 . 0 0 "[ . 1 . 2]" 1
1360 1 90 ILE QG 1 98 ASP QB 7.260 . 7.260 4.356 3.186 5.291 . 0 0 "[ . 1 . 2]" 1
1361 1 90 ILE HG12 1 91 LYS H 5.500 . 5.500 5.021 4.899 5.141 . 0 0 "[ . 1 . 2]" 1
1362 1 90 ILE HG12 1 95 MET HB2 5.440 . 5.440 2.516 2.016 3.606 . 0 0 "[ . 1 . 2]" 1
1363 1 90 ILE HG12 1 95 MET HB3 5.440 . 5.440 2.297 1.604 3.072 . 0 0 "[ . 1 . 2]" 1
1364 1 90 ILE HG12 1 95 MET ME 6.020 . 6.020 3.684 2.929 4.566 . 0 0 "[ . 1 . 2]" 1
1365 1 90 ILE HG12 1 95 MET HG2 7.260 . 7.260 4.540 3.101 5.345 . 0 0 "[ . 1 . 2]" 1
1366 1 90 ILE HG12 1 95 MET HG3 7.260 . 7.260 3.901 2.785 5.184 . 0 0 "[ . 1 . 2]" 1
1367 1 90 ILE HG13 1 91 LYS H 5.500 . 5.500 4.220 4.068 4.366 . 0 0 "[ . 1 . 2]" 1
1368 1 90 ILE HG13 1 95 MET HB2 5.440 . 5.440 2.765 2.187 3.578 . 0 0 "[ . 1 . 2]" 1
1369 1 90 ILE HG13 1 95 MET HB3 5.440 . 5.440 3.235 2.277 4.165 . 0 0 "[ . 1 . 2]" 1
1370 1 90 ILE HG13 1 95 MET ME 6.020 . 6.020 4.244 3.485 5.074 . 0 0 "[ . 1 . 2]" 1
1371 1 90 ILE HG13 1 95 MET HG2 7.260 . 7.260 4.687 4.025 5.757 . 0 0 "[ . 1 . 2]" 1
1372 1 90 ILE HG13 1 95 MET HG3 7.260 . 7.260 3.798 2.658 5.151 . 0 0 "[ . 1 . 2]" 1
1373 1 90 ILE MG 1 91 LYS H 6.520 . 6.520 3.552 3.214 3.773 . 0 0 "[ . 1 . 2]" 1
1374 1 90 ILE MG 1 92 LYS H 6.520 . 6.520 5.153 4.831 5.331 . 0 0 "[ . 1 . 2]" 1
1375 1 90 ILE MG 1 93 GLY H 6.520 . 6.520 5.187 4.344 5.677 . 0 0 "[ . 1 . 2]" 1
1376 1 90 ILE MG 1 94 TYR H 6.520 . 6.520 5.563 4.888 5.753 . 0 0 "[ . 1 . 2]" 1
1377 1 90 ILE MG 1 95 MET HB2 6.520 . 6.520 3.946 3.118 4.915 . 0 0 "[ . 1 . 2]" 1
1378 1 90 ILE MG 1 95 MET HB3 6.520 . 6.520 3.883 3.237 4.721 . 0 0 "[ . 1 . 2]" 1
1379 1 90 ILE MG 1 96 GLU HA 5.370 . 5.370 3.547 1.833 4.675 . 0 0 "[ . 1 . 2]" 1
1380 1 90 ILE MG 1 97 ASN H 5.960 . 5.960 4.161 3.422 4.935 . 0 0 "[ . 1 . 2]" 1
1381 1 90 ILE MG 1 97 ASN HB2 6.520 . 6.520 5.524 4.151 6.526 0.006 15 0 "[ . 1 . 2]" 1
1382 1 90 ILE MG 1 97 ASN HB3 6.520 . 6.520 5.475 4.470 6.470 . 0 0 "[ . 1 . 2]" 1
1383 1 90 ILE MG 1 97 ASN QD 7.380 . 7.380 5.295 2.948 6.821 . 0 0 "[ . 1 . 2]" 1
1384 1 90 ILE MG 1 98 ASP H 6.520 . 6.520 3.961 2.923 4.527 . 0 0 "[ . 1 . 2]" 1
1385 1 90 ILE MG 1 98 ASP QB 6.380 . 6.380 3.926 2.561 4.996 . 0 0 "[ . 1 . 2]" 1
1386 1 91 LYS H 1 91 LYS HD2 5.500 . 5.500 4.222 2.002 5.212 . 0 0 "[ . 1 . 2]" 1
1387 1 91 LYS H 1 91 LYS HD3 5.500 . 5.500 4.161 2.646 5.106 . 0 0 "[ . 1 . 2]" 1
1388 1 91 LYS H 1 91 LYS HG2 5.500 . 5.500 3.904 2.278 4.613 . 0 0 "[ . 1 . 2]" 1
1389 1 91 LYS H 1 91 LYS HG3 5.500 . 5.500 4.061 2.502 4.622 . 0 0 "[ . 1 . 2]" 1
1390 1 91 LYS H 1 92 LYS H 3.020 . 3.020 2.579 2.390 2.723 . 0 0 "[ . 1 . 2]" 1
1391 1 91 LYS H 1 93 GLY H 4.290 . 4.290 4.218 3.695 4.446 0.156 10 0 "[ . 1 . 2]" 1
1392 1 91 LYS HA 1 91 LYS HD2 5.500 . 5.500 3.383 1.880 5.527 0.027 18 0 "[ . 1 . 2]" 1
1393 1 91 LYS HA 1 91 LYS HD3 5.500 . 5.500 3.334 1.832 4.713 . 0 0 "[ . 1 . 2]" 1
1394 1 91 LYS HA 1 91 LYS HE2 5.500 . 5.500 4.733 3.995 5.512 0.012 7 0 "[ . 1 . 2]" 1
1395 1 91 LYS HA 1 91 LYS HE3 5.500 . 5.500 4.703 4.124 5.383 . 0 0 "[ . 1 . 2]" 1
1396 1 91 LYS HB2 1 91 LYS HE2 5.500 . 5.500 4.599 2.667 5.481 . 0 0 "[ . 1 . 2]" 1
1397 1 91 LYS HB2 1 91 LYS HE3 5.500 . 5.500 4.563 3.817 4.850 . 0 0 "[ . 1 . 2]" 1
1398 1 91 LYS HB2 1 92 LYS H 5.500 . 5.500 3.245 2.490 3.894 . 0 0 "[ . 1 . 2]" 1
1399 1 91 LYS HB3 1 91 LYS HE2 5.500 . 5.500 4.584 2.227 5.514 0.014 11 0 "[ . 1 . 2]" 1
1400 1 91 LYS HB3 1 91 LYS HE3 5.500 . 5.500 4.531 3.017 5.502 0.002 15 0 "[ . 1 . 2]" 1
1401 1 91 LYS HB3 1 92 LYS H 5.500 . 5.500 3.021 2.403 4.049 . 0 0 "[ . 1 . 2]" 1
1402 1 91 LYS HD2 1 92 LYS H 5.500 . 5.500 4.826 3.879 5.531 0.031 13 0 "[ . 1 . 2]" 1
1403 1 91 LYS HD3 1 92 LYS H 5.500 . 5.500 4.798 3.226 5.573 0.073 15 0 "[ . 1 . 2]" 1
1404 1 91 LYS HG2 1 92 LYS H 5.500 . 5.500 4.673 3.029 5.312 . 0 0 "[ . 1 . 2]" 1
1405 1 91 LYS HG3 1 92 LYS H 5.500 . 5.500 4.630 2.237 5.213 . 0 0 "[ . 1 . 2]" 1
1406 1 92 LYS H 1 92 LYS HB2 3.670 . 3.670 3.109 2.318 3.876 0.206 13 0 "[ . 1 . 2]" 1
1407 1 92 LYS H 1 92 LYS QB 3.350 . 3.350 2.714 2.197 3.242 . 0 0 "[ . 1 . 2]" 1
1408 1 92 LYS H 1 92 LYS HB3 3.670 . 3.670 3.085 2.524 3.820 0.150 19 0 "[ . 1 . 2]" 1
1409 1 92 LYS H 1 92 LYS HD2 5.500 . 5.500 5.010 4.288 5.638 0.138 12 0 "[ . 1 . 2]" 1
1410 1 92 LYS H 1 92 LYS HD3 5.500 . 5.500 5.184 4.557 5.666 0.166 14 0 "[ . 1 . 2]" 1
1411 1 92 LYS H 1 92 LYS HG2 5.500 . 5.500 4.303 2.329 5.277 . 0 0 "[ . 1 . 2]" 1
1412 1 92 LYS H 1 92 LYS HG3 5.500 . 5.500 4.265 2.470 4.874 . 0 0 "[ . 1 . 2]" 1
1413 1 92 LYS H 1 93 GLY H 3.450 . 3.450 2.715 2.106 3.033 . 0 0 "[ . 1 . 2]" 1
1414 1 92 LYS HA 1 92 LYS HD2 5.500 . 5.500 3.668 1.749 4.736 . 0 0 "[ . 1 . 2]" 1
1415 1 92 LYS HA 1 92 LYS HD3 5.500 . 5.500 4.086 2.806 5.523 0.023 16 0 "[ . 1 . 2]" 1
1416 1 92 LYS HA 1 93 GLY H 3.520 . 3.520 2.822 2.361 3.559 0.039 5 0 "[ . 1 . 2]" 1
1417 1 92 LYS HB2 1 93 GLY H 4.660 . 4.660 4.332 3.501 4.657 . 0 0 "[ . 1 . 2]" 1
1418 1 92 LYS HB3 1 93 GLY H 4.660 . 4.660 3.989 2.535 4.638 . 0 0 "[ . 1 . 2]" 1
1419 1 92 LYS HG2 1 93 GLY H 5.500 . 5.500 4.755 4.007 5.606 0.106 10 0 "[ . 1 . 2]" 1
1420 1 92 LYS HG3 1 93 GLY H 5.500 . 5.500 4.530 3.801 5.240 . 0 0 "[ . 1 . 2]" 1
1421 1 94 TYR H 1 94 TYR HB2 3.170 . 3.170 3.029 2.518 3.365 0.195 14 0 "[ . 1 . 2]" 1
1422 1 94 TYR H 1 94 TYR HB3 3.170 . 3.170 2.965 2.423 3.361 0.191 2 0 "[ . 1 . 2]" 1
1423 1 94 TYR H 1 95 MET H 2.710 . 2.710 1.936 1.515 2.514 . 0 0 "[ . 1 . 2]" 1
1424 1 94 TYR H 1 95 MET HA 5.500 . 5.500 4.576 4.284 5.037 . 0 0 "[ . 1 . 2]" 1
1425 1 94 TYR QB 1 95 MET H 3.660 . 3.660 2.677 1.994 3.366 . 0 0 "[ . 1 . 2]" 1
1426 1 94 TYR HB2 1 95 MET H 3.830 . 3.830 3.771 3.418 3.944 0.114 12 0 "[ . 1 . 2]" 1
1427 1 94 TYR HB3 1 95 MET H 3.830 . 3.830 2.762 2.004 3.703 . 0 0 "[ . 1 . 2]" 1
1428 1 94 TYR QD 1 95 MET H 7.630 . 7.630 4.041 2.888 4.952 . 0 0 "[ . 1 . 2]" 1
1429 1 94 TYR QD 1 95 MET HA 7.630 . 7.630 4.102 3.064 5.210 . 0 0 "[ . 1 . 2]" 1
1430 1 94 TYR QE 1 95 MET HA 7.630 . 7.630 5.673 4.366 7.172 . 0 0 "[ . 1 . 2]" 1
1431 1 95 MET H 1 95 MET HB2 3.450 . 3.450 2.394 2.195 2.579 . 0 0 "[ . 1 . 2]" 1
1432 1 95 MET H 1 95 MET QB 3.210 . 3.210 2.348 2.151 2.437 . 0 0 "[ . 1 . 2]" 1
1433 1 95 MET H 1 95 MET HB3 3.450 . 3.450 3.477 2.872 3.631 0.181 17 0 "[ . 1 . 2]" 1
1434 1 95 MET H 1 95 MET ME 6.240 . 6.240 4.916 4.553 5.911 . 0 0 "[ . 1 . 2]" 1
1435 1 95 MET H 1 95 MET HG2 5.500 . 5.500 2.996 2.175 4.601 . 0 0 "[ . 1 . 2]" 1
1436 1 95 MET H 1 95 MET HG3 5.500 . 5.500 3.619 2.190 4.812 . 0 0 "[ . 1 . 2]" 1
1437 1 95 MET H 1 96 GLU H 4.820 . 4.820 4.498 4.231 4.597 . 0 0 "[ . 1 . 2]" 1
1438 1 95 MET HA 1 95 MET ME 5.810 . 5.810 3.444 2.968 4.462 . 0 0 "[ . 1 . 2]" 1
1439 1 95 MET HA 1 96 GLU H 3.330 . 3.330 2.205 2.114 2.525 . 0 0 "[ . 1 . 2]" 1
1440 1 95 MET HA 1 97 ASN H 4.110 . 4.110 4.065 3.726 4.245 0.135 5 0 "[ . 1 . 2]" 1
1441 1 95 MET QB 1 96 GLU H 4.320 . 4.320 3.073 2.360 3.630 . 0 0 "[ . 1 . 2]" 1
1442 1 95 MET QB 1 96 GLU HA 5.760 . 5.760 4.421 3.962 4.677 . 0 0 "[ . 1 . 2]" 1
1443 1 95 MET QB 1 97 ASN H 4.710 . 4.710 3.529 2.785 4.132 . 0 0 "[ . 1 . 2]" 1
1444 1 95 MET HB2 1 95 MET ME 4.440 . 4.440 3.488 2.951 4.291 . 0 0 "[ . 1 . 2]" 1
1445 1 95 MET HB2 1 96 GLU H 4.820 . 4.820 4.150 3.601 4.458 . 0 0 "[ . 1 . 2]" 1
1446 1 95 MET HB2 1 97 ASN H 5.500 . 5.500 4.963 4.088 5.556 0.056 2 0 "[ . 1 . 2]" 1
1447 1 95 MET HB3 1 95 MET ME 4.440 . 4.440 2.350 1.960 4.020 . 0 0 "[ . 1 . 2]" 1
1448 1 95 MET HB3 1 96 GLU H 4.820 . 4.820 3.176 2.393 3.850 . 0 0 "[ . 1 . 2]" 1
1449 1 95 MET HB3 1 97 ASN H 5.500 . 5.500 3.614 2.835 4.279 . 0 0 "[ . 1 . 2]" 1
1450 1 95 MET ME 1 97 ASN H 6.520 . 6.520 3.539 3.017 4.382 . 0 0 "[ . 1 . 2]" 1
1451 1 95 MET ME 1 98 ASP HA 5.590 . 5.590 3.676 2.673 4.505 . 0 0 "[ . 1 . 2]" 1
1452 1 95 MET ME 1 99 PRO HB2 5.370 . 5.370 5.353 4.948 5.459 0.089 12 0 "[ . 1 . 2]" 1
1453 1 95 MET ME 1 99 PRO QB 5.020 . 5.020 3.994 3.674 4.438 . 0 0 "[ . 1 . 2]" 1
1454 1 95 MET ME 1 99 PRO HB3 5.370 . 5.370 4.127 3.787 4.718 . 0 0 "[ . 1 . 2]" 1
1455 1 95 MET ME 1 99 PRO HD2 4.940 . 4.940 4.358 3.145 5.014 0.074 10 0 "[ . 1 . 2]" 1
1456 1 95 MET ME 1 99 PRO QD 4.700 . 4.700 2.969 2.228 3.732 . 0 0 "[ . 1 . 2]" 1
1457 1 95 MET ME 1 99 PRO HD3 4.940 . 4.940 3.023 2.279 3.850 . 0 0 "[ . 1 . 2]" 1
1458 1 95 MET ME 1 99 PRO HG2 6.520 . 6.520 4.843 3.943 5.525 . 0 0 "[ . 1 . 2]" 1
1459 1 95 MET ME 1 99 PRO QG 5.740 . 5.740 3.535 2.715 4.111 . 0 0 "[ . 1 . 2]" 1
1460 1 95 MET ME 1 99 PRO HG3 6.520 . 6.520 3.638 2.747 4.259 . 0 0 "[ . 1 . 2]" 1
1461 1 95 MET HG2 1 96 GLU H 5.500 . 5.500 4.543 2.640 5.091 . 0 0 "[ . 1 . 2]" 1
1462 1 95 MET HG3 1 96 GLU H 5.500 . 5.500 5.023 3.458 5.583 0.083 11 0 "[ . 1 . 2]" 1
1463 1 96 GLU H 1 96 GLU HB2 3.790 . 3.790 2.586 2.367 3.235 . 0 0 "[ . 1 . 2]" 1
1464 1 96 GLU H 1 96 GLU QB 3.580 . 3.580 2.400 2.239 2.747 . 0 0 "[ . 1 . 2]" 1
1465 1 96 GLU H 1 96 GLU HB3 3.790 . 3.790 3.092 2.564 3.784 . 0 0 "[ . 1 . 2]" 1
1466 1 96 GLU H 1 96 GLU HG2 5.500 . 5.500 3.972 2.058 4.608 . 0 0 "[ . 1 . 2]" 1
1467 1 96 GLU H 1 96 GLU HG3 5.500 . 5.500 3.722 2.142 4.826 . 0 0 "[ . 1 . 2]" 1
1468 1 96 GLU H 1 97 ASN H 2.960 . 2.960 2.331 1.845 2.713 . 0 0 "[ . 1 . 2]" 1
1469 1 96 GLU QB 1 97 ASN QB 6.320 . 6.320 3.575 2.583 4.085 . 0 0 "[ . 1 . 2]" 1
1470 1 96 GLU QB 1 97 ASN QD 5.850 . 5.850 3.893 2.195 5.159 . 0 0 "[ . 1 . 2]" 1
1471 1 96 GLU HB2 1 97 ASN H 3.700 . 3.700 3.238 2.331 3.832 0.132 3 0 "[ . 1 . 2]" 1
1472 1 96 GLU HB2 1 97 ASN HB2 7.260 . 7.260 4.977 3.697 6.004 . 0 0 "[ . 1 . 2]" 1
1473 1 96 GLU HB2 1 97 ASN HB3 7.260 . 7.260 5.760 3.893 7.019 . 0 0 "[ . 1 . 2]" 1
1474 1 96 GLU HB2 1 97 ASN HD21 7.230 . 7.230 5.442 2.392 7.218 . 0 0 "[ . 1 . 2]" 1
1475 1 96 GLU HB2 1 97 ASN HD22 7.230 . 7.230 5.681 3.439 7.603 0.373 20 0 "[ . 1 . 2]" 1
1476 1 96 GLU HB3 1 97 ASN H 3.700 . 3.700 3.050 2.389 3.784 0.084 15 0 "[ . 1 . 2]" 1
1477 1 96 GLU HB3 1 97 ASN HB2 7.260 . 7.260 4.365 3.002 5.981 . 0 0 "[ . 1 . 2]" 1
1478 1 96 GLU HB3 1 97 ASN HB3 7.260 . 7.260 5.053 2.765 6.159 . 0 0 "[ . 1 . 2]" 1
1479 1 96 GLU HB3 1 97 ASN HD21 7.230 . 7.230 4.755 2.356 6.429 . 0 0 "[ . 1 . 2]" 1
1480 1 96 GLU HB3 1 97 ASN HD22 7.230 . 7.230 4.985 2.994 7.327 0.097 18 0 "[ . 1 . 2]" 1
1481 1 96 GLU HG2 1 97 ASN H 5.500 . 5.500 4.341 3.679 5.086 . 0 0 "[ . 1 . 2]" 1
1482 1 96 GLU HG3 1 97 ASN H 5.500 . 5.500 4.628 4.106 4.943 . 0 0 "[ . 1 . 2]" 1
1483 1 97 ASN H 1 98 ASP H 4.320 . 4.320 4.369 4.196 4.471 0.151 6 0 "[ . 1 . 2]" 1
1484 1 97 ASN HA 1 98 ASP H 2.620 . 2.620 2.306 2.098 2.591 . 0 0 "[ . 1 . 2]" 1
1485 1 97 ASN HB2 1 98 ASP H 5.500 . 5.500 3.736 2.488 4.372 . 0 0 "[ . 1 . 2]" 1
1486 1 97 ASN HB3 1 98 ASP H 5.500 . 5.500 3.089 2.068 3.841 . 0 0 "[ . 1 . 2]" 1
1487 1 98 ASP H 1 98 ASP HB2 3.390 . 3.390 2.947 2.094 3.603 0.213 6 0 "[ . 1 . 2]" 1
1488 1 98 ASP H 1 98 ASP HB3 3.390 . 3.390 3.077 2.747 3.551 0.161 9 0 "[ . 1 . 2]" 1
1489 1 98 ASP HA 1 99 PRO HD2 3.520 . 3.520 2.480 2.079 3.040 . 0 0 "[ . 1 . 2]" 1
1490 1 98 ASP HA 1 99 PRO QD 3.340 . 3.340 1.972 1.731 2.155 . 0 0 "[ . 1 . 2]" 1
1491 1 98 ASP HA 1 99 PRO HD3 3.520 . 3.520 2.159 1.747 2.525 . 0 0 "[ . 1 . 2]" 1
1492 1 98 ASP HA 1 100 PHE H 5.100 . 5.100 3.942 3.418 4.441 . 0 0 "[ . 1 . 2]" 1
1493 1 98 ASP HA 1 101 LYS H 5.500 . 5.500 4.797 4.362 5.231 . 0 0 "[ . 1 . 2]" 1
1494 1 98 ASP QB 1 99 PRO QG 7.270 . 7.270 4.087 3.456 4.952 . 0 0 "[ . 1 . 2]" 1
1495 1 98 ASP QB 1 101 LYS H 5.570 . 5.570 3.108 2.097 3.905 . 0 0 "[ . 1 . 2]" 1
1496 1 98 ASP QB 1 101 LYS QB 5.720 . 5.720 3.320 1.446 4.789 . 0 0 "[ . 1 . 2]" 1
1497 1 98 ASP QB 1 101 LYS QG 6.320 . 6.320 3.954 2.243 5.453 . 0 0 "[ . 1 . 2]" 1
1498 1 98 ASP HB2 1 101 LYS HB2 7.260 . 7.260 3.819 1.455 5.277 . 0 0 "[ . 1 . 2]" 1
1499 1 98 ASP HB2 1 101 LYS HB3 7.260 . 7.260 4.980 2.565 6.758 . 0 0 "[ . 1 . 2]" 1
1500 1 98 ASP HB2 1 101 LYS HG2 7.260 . 7.260 5.001 2.860 7.013 . 0 0 "[ . 1 . 2]" 1
1501 1 98 ASP HB2 1 101 LYS HG3 7.260 . 7.260 5.084 2.463 6.705 . 0 0 "[ . 1 . 2]" 1
1502 1 98 ASP HB3 1 101 LYS HB2 7.260 . 7.260 4.182 2.021 6.405 . 0 0 "[ . 1 . 2]" 1
1503 1 98 ASP HB3 1 101 LYS HB3 7.260 . 7.260 5.311 2.348 7.401 0.141 20 0 "[ . 1 . 2]" 1
1504 1 98 ASP HB3 1 101 LYS HG2 7.260 . 7.260 5.289 3.104 7.336 0.076 12 0 "[ . 1 . 2]" 1
1505 1 98 ASP HB3 1 101 LYS HG3 7.260 . 7.260 5.412 3.642 6.753 . 0 0 "[ . 1 . 2]" 1
1506 1 99 PRO QB 1 100 PHE H 4.330 . 4.330 3.356 2.795 3.742 . 0 0 "[ . 1 . 2]" 1
1507 1 99 PRO QD 1 100 PHE H 4.520 . 4.520 2.548 1.742 2.934 . 0 0 "[ . 1 . 2]" 1
1508 1 99 PRO HD2 1 100 PHE H 4.720 . 4.720 2.593 1.749 3.012 . 0 0 "[ . 1 . 2]" 1
1509 1 99 PRO HD3 1 100 PHE H 4.720 . 4.720 3.796 3.270 4.050 . 0 0 "[ . 1 . 2]" 1
1510 1 99 PRO QG 1 100 PHE H 5.180 . 5.180 2.929 2.062 4.022 . 0 0 "[ . 1 . 2]" 1
1511 1 99 PRO QG 1 100 PHE QD 7.390 . 7.390 3.109 1.790 5.158 . 0 0 "[ . 1 . 2]" 1
1512 1 99 PRO HG2 1 100 PHE H 5.500 . 5.500 3.019 2.072 4.363 . 0 0 "[ . 1 . 2]" 1
1513 1 99 PRO HG2 1 100 PHE QD 7.630 . 7.630 3.179 1.795 5.326 . 0 0 "[ . 1 . 2]" 1
1514 1 99 PRO HG3 1 100 PHE H 5.500 . 5.500 4.219 3.696 4.713 . 0 0 "[ . 1 . 2]" 1
1515 1 99 PRO HG3 1 100 PHE QD 7.630 . 7.630 4.612 3.501 6.892 . 0 0 "[ . 1 . 2]" 1
1516 1 100 PHE H 1 100 PHE HB2 3.760 . 3.760 3.084 2.268 3.746 . 0 0 "[ . 1 . 2]" 1
1517 1 100 PHE H 1 100 PHE QB 3.430 . 3.430 2.544 2.210 3.071 . 0 0 "[ . 1 . 2]" 1
1518 1 100 PHE H 1 100 PHE HB3 3.760 . 3.760 3.075 2.402 3.625 . 0 0 "[ . 1 . 2]" 1
1519 1 100 PHE H 1 101 LYS H 2.900 . 2.900 2.385 2.148 2.652 . 0 0 "[ . 1 . 2]" 1
1520 1 100 PHE HA 1 102 ASP H 4.690 . 4.690 3.898 3.203 4.536 . 0 0 "[ . 1 . 2]" 1
1521 1 100 PHE QB 1 102 ASP H 5.080 . 5.080 4.955 4.369 5.181 0.101 20 0 "[ . 1 . 2]" 1
1522 1 100 PHE HB2 1 101 LYS H 4.040 . 4.040 3.829 3.077 4.285 0.245 7 0 "[ . 1 . 2]" 1
1523 1 100 PHE HB3 1 101 LYS H 4.040 . 4.040 4.059 2.894 4.428 0.388 7 0 "[ . 1 . 2]" 1
1524 1 101 LYS H 1 101 LYS HB2 3.170 . 3.170 2.270 1.994 2.802 . 0 0 "[ . 1 . 2]" 1
1525 1 101 LYS H 1 101 LYS QB 2.940 . 2.940 2.096 1.976 2.202 . 0 0 "[ . 1 . 2]" 1
1526 1 101 LYS H 1 101 LYS HB3 3.170 . 3.170 2.889 2.272 3.389 0.219 16 0 "[ . 1 . 2]" 1
1527 1 101 LYS H 1 101 LYS HD2 5.500 . 5.500 4.599 3.117 5.331 . 0 0 "[ . 1 . 2]" 1
1528 1 101 LYS H 1 101 LYS HD3 5.500 . 5.500 5.126 3.190 5.792 0.292 4 0 "[ . 1 . 2]" 1
1529 1 101 LYS H 1 101 LYS HE2 5.500 . 5.500 5.346 3.726 5.628 0.128 10 0 "[ . 1 . 2]" 1
1530 1 101 LYS H 1 101 LYS HE3 5.500 . 5.500 4.757 3.850 5.774 0.274 9 0 "[ . 1 . 2]" 1
1531 1 101 LYS H 1 101 LYS HG2 5.500 . 5.500 3.793 2.870 4.437 . 0 0 "[ . 1 . 2]" 1
1532 1 101 LYS H 1 101 LYS HG3 5.500 . 5.500 4.292 3.825 4.644 . 0 0 "[ . 1 . 2]" 1
1533 1 101 LYS H 1 102 ASP H 3.420 . 3.420 2.670 2.381 2.977 . 0 0 "[ . 1 . 2]" 1
1534 1 101 LYS HA 1 101 LYS HD2 5.100 . 5.100 3.166 1.908 4.029 . 0 0 "[ . 1 . 2]" 1
1535 1 101 LYS HA 1 101 LYS QD 4.960 . 4.960 2.720 1.658 3.844 . 0 0 "[ . 1 . 2]" 1
1536 1 101 LYS HA 1 101 LYS HD3 5.100 . 5.100 3.558 1.667 4.857 . 0 0 "[ . 1 . 2]" 1
1537 1 101 LYS HA 1 102 ASP H 3.520 . 3.520 3.517 3.427 3.562 0.042 20 0 "[ . 1 . 2]" 1
1538 1 101 LYS QB 1 102 ASP H 3.710 . 3.710 2.668 2.292 3.042 . 0 0 "[ . 1 . 2]" 1
1539 1 101 LYS HB2 1 102 ASP H 4.110 . 4.110 3.441 2.739 4.133 0.023 5 0 "[ . 1 . 2]" 1
1540 1 101 LYS HB3 1 102 ASP H 4.110 . 4.110 2.875 2.327 3.467 . 0 0 "[ . 1 . 2]" 1
1541 1 101 LYS QD 1 102 ASP H 5.110 . 5.110 4.040 3.060 4.983 . 0 0 "[ . 1 . 2]" 1
1542 1 101 LYS HG2 1 102 ASP H 5.500 . 5.500 4.751 4.157 5.098 . 0 0 "[ . 1 . 2]" 1
1543 1 101 LYS HG3 1 102 ASP H 5.500 . 5.500 5.051 4.752 5.487 . 0 0 "[ . 1 . 2]" 1
1544 1 102 ASP H 1 102 ASP HB2 3.450 . 3.450 2.550 2.190 3.590 0.140 15 0 "[ . 1 . 2]" 1
1545 1 102 ASP H 1 102 ASP QB 3.150 . 3.150 2.320 2.166 2.508 . 0 0 "[ . 1 . 2]" 1
1546 1 102 ASP H 1 102 ASP HB3 3.450 . 3.450 3.079 2.492 3.610 0.160 9 0 "[ . 1 . 2]" 1
1547 1 102 ASP H 1 103 PHE H 2.960 . 2.960 2.327 2.043 2.602 . 0 0 "[ . 1 . 2]" 1
1548 1 102 ASP HA 1 103 PHE H 3.300 . 3.300 3.241 2.938 3.476 0.176 10 0 "[ . 1 . 2]" 1
1549 1 102 ASP QB 1 103 PHE H 4.030 . 4.030 3.324 2.551 3.711 . 0 0 "[ . 1 . 2]" 1
1550 1 102 ASP HB2 1 103 PHE H 4.260 . 4.260 3.866 2.979 4.399 0.139 16 0 "[ . 1 . 2]" 1
1551 1 102 ASP HB3 1 103 PHE H 4.260 . 4.260 3.760 2.588 4.346 0.086 9 0 "[ . 1 . 2]" 1
1552 1 103 PHE H 1 104 GLY H 3.790 . 3.790 3.139 2.389 4.023 0.233 6 0 "[ . 1 . 2]" 1
1553 1 103 PHE HB2 1 104 GLY H 5.500 . 5.500 4.073 2.842 4.644 . 0 0 "[ . 1 . 2]" 1
1554 1 103 PHE HB3 1 104 GLY H 5.500 . 5.500 3.603 2.068 4.487 . 0 0 "[ . 1 . 2]" 1
1555 1 103 PHE QD 1 104 GLY H 7.630 . 7.630 4.089 3.112 4.881 . 0 0 "[ . 1 . 2]" 1
1556 1 104 GLY H 1 105 LEU H 3.790 . 3.790 2.834 1.931 3.998 0.208 5 0 "[ . 1 . 2]" 1
1557 1 105 LEU H 1 106 GLU H 4.320 . 4.320 3.532 2.257 4.459 0.139 15 0 "[ . 1 . 2]" 1
1558 1 106 GLU H 1 106 GLU HB2 3.890 . 3.890 2.794 2.117 3.742 . 0 0 "[ . 1 . 2]" 1
1559 1 106 GLU H 1 106 GLU QB 3.680 . 3.680 2.503 2.090 3.037 . 0 0 "[ . 1 . 2]" 1
1560 1 106 GLU H 1 106 GLU HB3 3.890 . 3.890 3.099 2.346 3.745 . 0 0 "[ . 1 . 2]" 1
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