NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
644644 |
6sgo   |
34423 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6sgo
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 1702
_Distance_constraint_stats_list.Viol_count 3371
_Distance_constraint_stats_list.Viol_total 2798.389
_Distance_constraint_stats_list.Viol_max 0.347
_Distance_constraint_stats_list.Viol_rms 0.0168
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0041
_Distance_constraint_stats_list.Viol_average_violations_only 0.0415
_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 14 ASP 0.024 0.024 16 0 "[ . 1 . 2]"
1 15 MET 1.048 0.168 13 0 "[ . 1 . 2]"
1 16 VAL 1.089 0.168 13 0 "[ . 1 . 2]"
1 17 THR 0.683 0.096 16 0 "[ . 1 . 2]"
1 18 ASP 1.031 0.101 1 0 "[ . 1 . 2]"
1 19 LEU 1.439 0.076 9 0 "[ . 1 . 2]"
1 20 ASP 2.129 0.101 1 0 "[ . 1 . 2]"
1 21 VAL 1.988 0.087 9 0 "[ . 1 . 2]"
1 22 LYS 0.361 0.050 18 0 "[ . 1 . 2]"
1 23 GLY 0.957 0.087 9 0 "[ . 1 . 2]"
1 24 LEU 4.642 0.134 18 0 "[ . 1 . 2]"
1 25 GLY 0.454 0.117 1 0 "[ . 1 . 2]"
1 26 TYR 0.239 0.096 7 0 "[ . 1 . 2]"
1 27 ASP 2.877 0.097 17 0 "[ . 1 . 2]"
1 28 PHE 6.261 0.134 18 0 "[ . 1 . 2]"
1 29 ILE 3.954 0.103 15 0 "[ . 1 . 2]"
1 30 ASP 1.928 0.091 5 0 "[ . 1 . 2]"
1 31 LEU 5.628 0.103 9 0 "[ . 1 . 2]"
1 32 VAL 3.134 0.103 15 0 "[ . 1 . 2]"
1 33 THR 1.171 0.090 9 0 "[ . 1 . 2]"
1 34 LYS 2.845 0.123 15 0 "[ . 1 . 2]"
1 35 SER 0.918 0.097 13 0 "[ . 1 . 2]"
1 36 PRO 1.030 0.091 11 0 "[ . 1 . 2]"
1 37 ASP 1.555 0.097 13 0 "[ . 1 . 2]"
1 38 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 VAL 2.209 0.141 6 0 "[ . 1 . 2]"
1 40 ASN 1.721 0.141 6 0 "[ . 1 . 2]"
1 41 SER 0.755 0.071 17 0 "[ . 1 . 2]"
1 42 GLU 1.354 0.127 14 0 "[ . 1 . 2]"
1 43 HIS 0.785 0.127 14 0 "[ . 1 . 2]"
1 44 GLU 3.697 0.118 8 0 "[ . 1 . 2]"
1 45 LEU 3.982 0.091 2 0 "[ . 1 . 2]"
1 46 ALA 0.727 0.056 7 0 "[ . 1 . 2]"
1 47 HIS 3.057 0.182 9 0 "[ . 1 . 2]"
1 48 PHE 3.565 0.121 9 0 "[ . 1 . 2]"
1 49 LEU 5.877 0.182 9 0 "[ . 1 . 2]"
1 50 GLY 1.485 0.099 9 0 "[ . 1 . 2]"
1 51 PRO 0.114 0.022 9 0 "[ . 1 . 2]"
1 52 HIS 3.548 0.167 12 0 "[ . 1 . 2]"
1 53 ASP 3.237 0.256 19 0 "[ . 1 . 2]"
1 54 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLU 3.201 0.100 1 0 "[ . 1 . 2]"
1 56 ILE 8.205 0.347 16 0 "[ . 1 . 2]"
1 57 TYR 7.709 0.188 16 0 "[ . 1 . 2]"
1 58 VAL 7.193 0.150 12 0 "[ . 1 . 2]"
1 59 ASN 1.818 0.100 10 0 "[ . 1 . 2]"
1 60 GLY 0.033 0.033 12 0 "[ . 1 . 2]"
1 61 LYS 3.870 0.150 12 0 "[ . 1 . 2]"
1 62 ILE 4.581 0.119 10 0 "[ . 1 . 2]"
1 63 GLN 2.925 0.106 10 0 "[ . 1 . 2]"
1 64 THR 0.991 0.069 16 0 "[ . 1 . 2]"
1 65 THR 2.311 0.256 19 0 "[ . 1 . 2]"
1 66 THR 1.938 0.130 19 0 "[ . 1 . 2]"
1 67 ALA 1.689 0.071 15 0 "[ . 1 . 2]"
1 68 PHE 1.387 0.068 12 0 "[ . 1 . 2]"
1 69 LEU 7.731 0.347 16 0 "[ . 1 . 2]"
1 70 GLN 4.377 0.185 4 0 "[ . 1 . 2]"
1 71 PHE 3.206 0.086 16 0 "[ . 1 . 2]"
1 72 PHE 4.389 0.086 1 0 "[ . 1 . 2]"
1 73 ARG 2.668 0.109 4 0 "[ . 1 . 2]"
1 74 GLN 2.408 0.128 4 0 "[ . 1 . 2]"
1 75 GLY 1.584 0.163 20 0 "[ . 1 . 2]"
1 76 LEU 1.907 0.086 1 0 "[ . 1 . 2]"
1 77 PHE 1.687 0.093 12 0 "[ . 1 . 2]"
1 78 LYS 1.689 0.163 20 0 "[ . 1 . 2]"
1 79 LYS 1.607 0.109 13 0 "[ . 1 . 2]"
1 80 LEU 0.323 0.094 6 0 "[ . 1 . 2]"
1 81 LYS 1.296 0.109 13 0 "[ . 1 . 2]"
1 82 ASP 0.138 0.116 13 0 "[ . 1 . 2]"
1 83 ALA 0.880 0.116 13 0 "[ . 1 . 2]"
1 84 GLU 0.468 0.099 13 0 "[ . 1 . 2]"
1 85 PHE 0.242 0.076 9 0 "[ . 1 . 2]"
1 88 ASN 0.110 0.038 10 0 "[ . 1 . 2]"
1 95 GLU 0.585 0.186 10 0 "[ . 1 . 2]"
1 96 GLY 0.614 0.186 10 0 "[ . 1 . 2]"
1 97 GLU 0.213 0.057 12 0 "[ . 1 . 2]"
1 99 TYR 2.685 0.171 19 0 "[ . 1 . 2]"
1 100 LYS 1.046 0.112 16 0 "[ . 1 . 2]"
1 101 LEU 0.912 0.112 16 0 "[ . 1 . 2]"
1 102 VAL 2.080 0.099 1 0 "[ . 1 . 2]"
1 103 TRP 1.706 0.098 10 0 "[ . 1 . 2]"
1 104 LYS 1.504 0.114 5 0 "[ . 1 . 2]"
1 105 SER 0.554 0.092 15 0 "[ . 1 . 2]"
1 106 ALA 1.208 0.199 3 0 "[ . 1 . 2]"
1 107 ALA 1.005 0.080 2 0 "[ . 1 . 2]"
1 108 GLN 2.651 0.199 3 0 "[ . 1 . 2]"
1 109 ARG 0.060 0.025 20 0 "[ . 1 . 2]"
1 110 SER 0.402 0.104 10 0 "[ . 1 . 2]"
1 112 ASP 0.195 0.065 11 0 "[ . 1 . 2]"
1 113 GLN 0.037 0.037 1 0 "[ . 1 . 2]"
1 114 LYS 0.584 0.065 11 0 "[ . 1 . 2]"
1 115 ILE 2.633 0.114 20 0 "[ . 1 . 2]"
1 116 ARG 0.526 0.070 14 0 "[ . 1 . 2]"
1 117 TRP 0.721 0.101 8 0 "[ . 1 . 2]"
1 118 ASP 2.065 0.116 19 0 "[ . 1 . 2]"
1 119 GLU 2.253 0.203 2 0 "[ . 1 . 2]"
1 120 ALA 1.712 0.114 5 0 "[ . 1 . 2]"
1 121 GLU 2.965 0.099 1 0 "[ . 1 . 2]"
1 122 ALA 4.341 0.160 5 0 "[ . 1 . 2]"
1 123 TYR 2.492 0.231 14 0 "[ . 1 . 2]"
1 124 ILE 5.271 0.171 19 0 "[ . 1 . 2]"
1 125 TRP 1.450 0.092 4 0 "[ . 1 . 2]"
1 126 ARG 1.190 0.162 16 0 "[ . 1 . 2]"
1 127 ARG 2.168 0.162 16 0 "[ . 1 . 2]"
1 128 LYS 0.075 0.069 15 0 "[ . 1 . 2]"
1 129 ASP 0.060 0.040 6 0 "[ . 1 . 2]"
1 130 GLY 0.508 0.091 12 0 "[ . 1 . 2]"
1 131 SER 1.820 0.130 14 0 "[ . 1 . 2]"
1 132 CYS 2.149 0.130 14 0 "[ . 1 . 2]"
1 133 TRP 3.651 0.141 9 0 "[ . 1 . 2]"
1 134 LEU 3.604 0.116 9 0 "[ . 1 . 2]"
1 135 HIS 0.965 0.084 2 0 "[ . 1 . 2]"
1 136 SER 1.834 0.104 2 0 "[ . 1 . 2]"
1 137 VAL 5.121 0.231 14 0 "[ . 1 . 2]"
1 138 LYS 1.061 0.083 14 0 "[ . 1 . 2]"
1 139 PHE 5.520 0.142 11 0 "[ . 1 . 2]"
1 140 ILE 2.673 0.116 19 0 "[ . 1 . 2]"
1 141 MET 1.458 0.080 2 0 "[ . 1 . 2]"
1 142 SER 2.458 0.203 2 0 "[ . 1 . 2]"
1 143 LYS 1.373 0.167 7 0 "[ . 1 . 2]"
1 144 ALA 1.079 0.167 7 0 "[ . 1 . 2]"
1 145 ALA 1.114 0.101 8 0 "[ . 1 . 2]"
1 146 PRO 0.367 0.139 6 0 "[ . 1 . 2]"
1 147 TYR 3.125 0.141 14 0 "[ . 1 . 2]"
1 148 VAL 0.830 0.114 3 0 "[ . 1 . 2]"
1 149 ALA 0.492 0.065 3 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 14 ASP QB 1 15 MET H 4.440 . 4.440 2.637 1.776 3.835 0.024 16 0 "[ . 1 . 2]" 1
2 1 15 MET HA 1 15 MET QG 3.590 . 3.590 2.678 2.405 3.569 . 0 0 "[ . 1 . 2]" 1
3 1 15 MET HA 1 16 VAL HA 4.720 . 4.720 4.506 4.277 4.741 0.021 17 0 "[ . 1 . 2]" 1
4 1 15 MET HA 1 16 VAL QG 4.390 . 4.390 3.924 3.391 4.494 0.104 13 0 "[ . 1 . 2]" 1
5 1 15 MET HA 1 16 VAL H 3.070 . 3.070 2.592 2.071 3.238 0.168 13 0 "[ . 1 . 2]" 1
6 1 15 MET QB 1 16 VAL HA 4.880 . 4.880 4.543 4.231 4.924 0.044 5 0 "[ . 1 . 2]" 1
7 1 15 MET QB 1 16 VAL H 4.220 . 4.220 3.468 2.397 4.081 . 0 0 "[ . 1 . 2]" 1
8 1 15 MET QG 1 16 VAL H 4.960 . 4.960 4.018 3.019 4.753 . 0 0 "[ . 1 . 2]" 1
9 1 15 MET H 1 15 MET HB3 3.930 . 3.930 3.194 2.400 3.795 . 0 0 "[ . 1 . 2]" 1
10 1 15 MET H 1 15 MET HB2 3.930 . 3.930 2.885 2.396 3.850 . 0 0 "[ . 1 . 2]" 1
11 1 15 MET H 1 15 MET QG 4.080 . 4.080 3.231 2.180 4.129 0.049 15 0 "[ . 1 . 2]" 1
12 1 15 MET H 1 15 MET HG3 4.820 . 4.820 3.650 2.353 4.626 . 0 0 "[ . 1 . 2]" 1
13 1 15 MET H 1 15 MET HG2 4.820 . 4.820 3.918 2.213 4.845 0.025 18 0 "[ . 1 . 2]" 1
14 1 15 MET H 1 16 VAL H 4.700 . 4.700 3.449 2.063 4.634 . 0 0 "[ . 1 . 2]" 1
15 1 16 VAL HB 1 17 THR H 4.580 . 4.580 3.653 2.006 4.231 . 0 0 "[ . 1 . 2]" 1
16 1 16 VAL QG 1 17 THR HA 4.310 . 4.310 3.675 3.110 4.327 0.017 18 0 "[ . 1 . 2]" 1
17 1 16 VAL QG 1 17 THR H 4.040 . 4.040 2.552 1.790 3.767 0.010 19 0 "[ . 1 . 2]" 1
18 1 16 VAL QG 1 18 ASP H 4.670 . 4.670 3.621 1.841 4.670 . 0 0 "[ . 1 . 2]" 1
19 1 16 VAL MG1 1 18 ASP H 5.360 . 5.360 4.137 1.842 5.368 0.008 16 0 "[ . 1 . 2]" 1
20 1 16 VAL MG2 1 18 ASP H 5.360 . 5.360 4.779 2.485 5.394 0.034 18 0 "[ . 1 . 2]" 1
21 1 16 VAL H 1 16 VAL HB 3.650 . 3.650 2.926 2.533 3.701 0.051 9 0 "[ . 1 . 2]" 1
22 1 16 VAL H 1 16 VAL QG 3.080 . 3.080 2.001 1.861 2.168 . 0 0 "[ . 1 . 2]" 1
23 1 17 THR HA 1 17 THR MG 2.880 . 2.880 2.257 2.169 2.487 . 0 0 "[ . 1 . 2]" 1
24 1 17 THR HB 1 18 ASP H 4.210 . 4.210 3.098 2.223 3.898 . 0 0 "[ . 1 . 2]" 1
25 1 17 THR MG 1 18 ASP QB 5.340 . 5.340 4.980 3.701 5.436 0.096 16 0 "[ . 1 . 2]" 1
26 1 17 THR MG 1 18 ASP H 4.550 . 4.550 3.825 3.272 4.137 . 0 0 "[ . 1 . 2]" 1
27 1 17 THR MG 1 19 LEU H 5.340 . 5.340 5.295 4.948 5.416 0.076 9 0 "[ . 1 . 2]" 1
28 1 17 THR H 1 17 THR HB 4.050 . 4.050 3.146 2.359 3.595 . 0 0 "[ . 1 . 2]" 1
29 1 17 THR H 1 17 THR MG 4.140 . 4.140 2.838 1.880 3.746 . 0 0 "[ . 1 . 2]" 1
30 1 18 ASP QB 1 20 ASP H 4.790 . 4.790 4.546 4.392 4.749 . 0 0 "[ . 1 . 2]" 1
31 1 18 ASP QB 1 21 VAL QG 5.080 . 5.080 3.719 3.317 4.088 . 0 0 "[ . 1 . 2]" 1
32 1 18 ASP HB3 1 19 LEU H 4.610 . 4.610 2.830 2.306 3.853 . 0 0 "[ . 1 . 2]" 1
33 1 18 ASP HB3 1 20 ASP H 5.500 . 5.500 4.965 4.607 5.529 0.029 19 0 "[ . 1 . 2]" 1
34 1 18 ASP HB2 1 19 LEU H 4.610 . 4.610 3.524 2.530 3.978 . 0 0 "[ . 1 . 2]" 1
35 1 18 ASP HB2 1 20 ASP H 5.500 . 5.500 5.404 4.935 5.601 0.101 1 0 "[ . 1 . 2]" 1
36 1 18 ASP H 1 19 LEU H 4.130 . 4.130 2.542 2.300 2.725 . 0 0 "[ . 1 . 2]" 1
37 1 19 LEU HA 1 19 LEU QD 3.160 . 3.160 2.113 2.042 2.175 . 0 0 "[ . 1 . 2]" 1
38 1 19 LEU HA 1 20 ASP HA 5.110 . 5.110 4.769 4.679 4.855 . 0 0 "[ . 1 . 2]" 1
39 1 19 LEU HA 1 22 LYS H 3.600 . 3.600 3.578 3.505 3.630 0.030 18 0 "[ . 1 . 2]" 1
40 1 19 LEU HA 1 23 GLY H 4.800 . 4.800 3.940 3.790 4.082 . 0 0 "[ . 1 . 2]" 1
41 1 19 LEU QB 1 19 LEU QD 2.790 . 2.790 2.081 2.069 2.089 . 0 0 "[ . 1 . 2]" 1
42 1 19 LEU QB 1 20 ASP H 3.400 . 3.400 2.636 2.524 2.720 . 0 0 "[ . 1 . 2]" 1
43 1 19 LEU QD 1 20 ASP H 3.730 . 3.730 3.308 3.151 3.433 . 0 0 "[ . 1 . 2]" 1
44 1 19 LEU QD 1 21 VAL H 5.440 . 5.440 4.697 4.594 4.849 . 0 0 "[ . 1 . 2]" 1
45 1 19 LEU QD 1 22 LYS QG 3.160 . 3.160 2.638 2.412 3.050 . 0 0 "[ . 1 . 2]" 1
46 1 19 LEU QD 1 22 LYS H 4.520 . 4.520 4.313 4.209 4.394 . 0 0 "[ . 1 . 2]" 1
47 1 19 LEU QD 1 23 GLY QA 3.560 . 3.560 3.289 3.104 3.583 0.023 5 0 "[ . 1 . 2]" 1
48 1 19 LEU QD 1 23 GLY H 3.830 . 3.830 3.493 3.365 3.600 . 0 0 "[ . 1 . 2]" 1
49 1 19 LEU MD1 1 20 ASP H 4.480 . 4.480 3.410 3.231 3.559 . 0 0 "[ . 1 . 2]" 1
50 1 19 LEU MD1 1 23 GLY HA3 5.880 . 5.880 3.653 3.412 4.238 . 0 0 "[ . 1 . 2]" 1
51 1 19 LEU MD1 1 23 GLY HA2 5.880 . 5.880 4.624 4.252 5.261 . 0 0 "[ . 1 . 2]" 1
52 1 19 LEU MD1 1 23 GLY H 4.490 . 4.490 3.860 3.668 4.208 . 0 0 "[ . 1 . 2]" 1
53 1 19 LEU MD2 1 20 ASP H 4.480 . 4.480 4.461 4.315 4.521 0.041 1 0 "[ . 1 . 2]" 1
54 1 19 LEU MD2 1 23 GLY HA3 5.880 . 5.880 4.366 3.883 4.803 . 0 0 "[ . 1 . 2]" 1
55 1 19 LEU MD2 1 23 GLY HA2 5.880 . 5.880 4.623 4.235 4.991 . 0 0 "[ . 1 . 2]" 1
56 1 19 LEU MD2 1 23 GLY H 4.490 . 4.490 4.015 3.774 4.232 . 0 0 "[ . 1 . 2]" 1
57 1 19 LEU H 1 19 LEU QB 2.870 . 2.870 2.200 2.168 2.245 . 0 0 "[ . 1 . 2]" 1
58 1 19 LEU H 1 19 LEU HB3 3.360 . 3.360 2.463 2.386 2.509 . 0 0 "[ . 1 . 2]" 1
59 1 19 LEU H 1 19 LEU HB2 3.360 . 3.360 2.479 2.405 2.590 . 0 0 "[ . 1 . 2]" 1
60 1 19 LEU H 1 19 LEU MD1 4.150 . 4.150 4.172 4.103 4.199 0.049 1 0 "[ . 1 . 2]" 1
61 1 19 LEU H 1 19 LEU MD2 4.150 . 4.150 4.110 4.036 4.167 0.017 9 0 "[ . 1 . 2]" 1
62 1 19 LEU H 1 19 LEU HG 5.500 . 5.500 4.575 4.537 4.628 . 0 0 "[ . 1 . 2]" 1
63 1 19 LEU H 1 20 ASP H 3.360 . 3.360 2.470 2.293 2.646 . 0 0 "[ . 1 . 2]" 1
64 1 20 ASP HA 1 23 GLY H 3.600 . 3.600 3.549 3.209 3.655 0.055 3 0 "[ . 1 . 2]" 1
65 1 20 ASP HA 1 24 LEU H 4.290 . 4.290 3.912 3.703 4.271 . 0 0 "[ . 1 . 2]" 1
66 1 20 ASP QB 1 21 VAL H 4.470 . 4.470 2.519 2.309 2.763 . 0 0 "[ . 1 . 2]" 1
67 1 20 ASP H 1 21 VAL HA 5.150 . 5.150 5.181 5.147 5.213 0.063 3 0 "[ . 1 . 2]" 1
68 1 20 ASP H 1 21 VAL QG 3.880 . 3.880 3.788 3.566 3.921 0.041 16 0 "[ . 1 . 2]" 1
69 1 20 ASP H 1 21 VAL H 3.170 . 3.170 2.613 2.480 2.733 . 0 0 "[ . 1 . 2]" 1
70 1 21 VAL HA 1 21 VAL MG1 3.400 . 3.400 2.681 2.285 3.231 . 0 0 "[ . 1 . 2]" 1
71 1 21 VAL HA 1 21 VAL MG2 3.400 . 3.400 2.700 2.363 3.248 . 0 0 "[ . 1 . 2]" 1
72 1 21 VAL HA 1 24 LEU QB 4.180 . 4.180 3.220 2.225 4.224 0.044 12 0 "[ . 1 . 2]" 1
73 1 21 VAL HA 1 24 LEU QD 3.930 . 3.930 2.713 1.837 3.382 . 0 0 "[ . 1 . 2]" 1
74 1 21 VAL HA 1 24 LEU MD1 4.720 . 4.720 4.268 3.513 4.782 0.062 14 0 "[ . 1 . 2]" 1
75 1 21 VAL HA 1 24 LEU MD2 4.720 . 4.720 2.765 1.840 3.723 . 0 0 "[ . 1 . 2]" 1
76 1 21 VAL HA 1 24 LEU H 3.600 . 3.600 3.467 3.069 3.673 0.073 7 0 "[ . 1 . 2]" 1
77 1 21 VAL HA 1 25 GLY H 4.410 . 4.410 3.770 3.469 4.125 . 0 0 "[ . 1 . 2]" 1
78 1 21 VAL QG 1 22 LYS HA 4.560 . 4.560 3.217 3.038 3.390 . 0 0 "[ . 1 . 2]" 1
79 1 21 VAL QG 1 23 GLY H 4.510 . 4.510 4.196 3.993 4.494 . 0 0 "[ . 1 . 2]" 1
80 1 21 VAL QG 1 24 LEU H 5.270 . 5.270 4.505 4.225 4.810 . 0 0 "[ . 1 . 2]" 1
81 1 21 VAL QG 1 25 GLY H 4.620 . 4.620 4.098 3.634 4.645 0.025 11 0 "[ . 1 . 2]" 1
82 1 21 VAL MG1 1 22 LYS H 4.060 . 4.060 3.152 2.142 4.027 . 0 0 "[ . 1 . 2]" 1
83 1 21 VAL MG1 1 23 GLY H 5.180 . 5.180 4.800 4.236 5.267 0.087 9 0 "[ . 1 . 2]" 1
84 1 21 VAL MG2 1 22 LYS H 4.060 . 4.060 3.187 2.219 3.858 . 0 0 "[ . 1 . 2]" 1
85 1 21 VAL MG2 1 23 GLY H 5.180 . 5.180 4.800 4.186 5.214 0.034 13 0 "[ . 1 . 2]" 1
86 1 21 VAL H 1 21 VAL HB 3.760 . 3.760 3.021 2.526 3.716 . 0 0 "[ . 1 . 2]" 1
87 1 21 VAL H 1 21 VAL QG 3.450 . 3.450 2.032 1.919 2.167 . 0 0 "[ . 1 . 2]" 1
88 1 21 VAL H 1 21 VAL MG1 4.260 . 4.260 2.633 1.995 3.816 . 0 0 "[ . 1 . 2]" 1
89 1 21 VAL H 1 21 VAL MG2 4.260 . 4.260 2.748 2.007 3.834 . 0 0 "[ . 1 . 2]" 1
90 1 22 LYS HA 1 22 LYS QG 3.560 . 3.560 3.387 3.344 3.524 . 0 0 "[ . 1 . 2]" 1
91 1 22 LYS HA 1 22 LYS HG3 4.200 . 4.200 3.762 3.663 3.903 . 0 0 "[ . 1 . 2]" 1
92 1 22 LYS HA 1 22 LYS HG2 4.200 . 4.200 3.868 3.662 4.250 0.050 18 0 "[ . 1 . 2]" 1
93 1 22 LYS HA 1 24 LEU H 5.030 . 5.030 4.442 4.121 4.832 . 0 0 "[ . 1 . 2]" 1
94 1 22 LYS HA 1 25 GLY H 3.600 . 3.600 3.358 3.192 3.627 0.027 11 0 "[ . 1 . 2]" 1
95 1 22 LYS HA 1 26 TYR H 4.300 . 4.300 3.661 3.433 3.890 . 0 0 "[ . 1 . 2]" 1
96 1 22 LYS QB 1 26 TYR H 4.850 . 4.850 4.509 4.277 4.666 . 0 0 "[ . 1 . 2]" 1
97 1 22 LYS QG 1 23 GLY QA 4.200 . 4.200 3.373 2.959 4.117 . 0 0 "[ . 1 . 2]" 1
98 1 22 LYS HG3 1 23 GLY H 4.510 . 4.510 2.775 2.397 3.165 . 0 0 "[ . 1 . 2]" 1
99 1 22 LYS HG2 1 23 GLY H 4.510 . 4.510 3.171 2.499 4.408 . 0 0 "[ . 1 . 2]" 1
100 1 22 LYS H 1 22 LYS QB 3.080 . 3.080 2.630 2.545 2.744 . 0 0 "[ . 1 . 2]" 1
101 1 22 LYS H 1 22 LYS QG 3.490 . 3.490 2.197 1.978 2.400 . 0 0 "[ . 1 . 2]" 1
102 1 22 LYS H 1 22 LYS HG3 3.990 . 3.990 3.144 2.002 3.548 . 0 0 "[ . 1 . 2]" 1
103 1 22 LYS H 1 22 LYS HG2 3.990 . 3.990 2.490 1.993 3.627 . 0 0 "[ . 1 . 2]" 1
104 1 22 LYS H 1 23 GLY H 3.660 . 3.660 2.515 2.394 2.626 . 0 0 "[ . 1 . 2]" 1
105 1 22 LYS H 1 24 LEU H 4.570 . 4.570 4.251 3.954 4.593 0.023 8 0 "[ . 1 . 2]" 1
106 1 23 GLY QA 1 24 LEU H 3.070 . 3.070 2.655 2.546 2.732 . 0 0 "[ . 1 . 2]" 1
107 1 23 GLY QA 1 26 TYR H 3.600 . 3.600 3.519 3.277 3.630 0.030 19 0 "[ . 1 . 2]" 1
108 1 23 GLY QA 1 27 ASP H 4.310 . 4.310 3.894 3.730 4.079 . 0 0 "[ . 1 . 2]" 1
109 1 23 GLY H 1 24 LEU H 3.340 . 3.340 2.645 2.493 2.874 . 0 0 "[ . 1 . 2]" 1
110 1 24 LEU HA 1 24 LEU QD 3.500 . 3.500 2.799 2.144 3.452 . 0 0 "[ . 1 . 2]" 1
111 1 24 LEU HA 1 24 LEU MD1 4.360 . 4.360 2.964 2.153 4.103 . 0 0 "[ . 1 . 2]" 1
112 1 24 LEU HA 1 24 LEU MD2 4.360 . 4.360 3.967 3.516 4.171 . 0 0 "[ . 1 . 2]" 1
113 1 24 LEU HA 1 24 LEU HG 3.910 . 3.910 3.230 2.495 3.811 . 0 0 "[ . 1 . 2]" 1
114 1 24 LEU HA 1 26 TYR H 4.790 . 4.790 4.466 4.230 4.625 . 0 0 "[ . 1 . 2]" 1
115 1 24 LEU HA 1 27 ASP HA 5.440 . 5.440 5.416 5.057 5.537 0.097 17 0 "[ . 1 . 2]" 1
116 1 24 LEU HA 1 27 ASP QB 3.990 . 3.990 2.700 2.257 2.872 . 0 0 "[ . 1 . 2]" 1
117 1 24 LEU HA 1 27 ASP H 3.490 . 3.490 3.440 3.175 3.534 0.044 13 0 "[ . 1 . 2]" 1
118 1 24 LEU HA 1 28 PHE H 4.170 . 4.170 3.913 3.587 4.122 . 0 0 "[ . 1 . 2]" 1
119 1 24 LEU QB 1 25 GLY H 3.690 . 3.690 2.818 2.197 3.591 . 0 0 "[ . 1 . 2]" 1
120 1 24 LEU QB 1 27 ASP QB 4.530 . 4.530 4.298 3.738 4.623 0.093 17 0 "[ . 1 . 2]" 1
121 1 24 LEU QB 1 48 PHE QE 4.600 . 4.600 3.717 2.496 4.617 0.017 3 0 "[ . 1 . 2]" 1
122 1 24 LEU HB3 1 25 GLY H 4.390 . 4.390 2.973 2.218 3.920 . 0 0 "[ . 1 . 2]" 1
123 1 24 LEU HB2 1 25 GLY H 4.390 . 4.390 3.848 3.555 4.309 . 0 0 "[ . 1 . 2]" 1
124 1 24 LEU QD 1 25 GLY QA 4.240 . 4.240 3.260 2.472 4.001 . 0 0 "[ . 1 . 2]" 1
125 1 24 LEU QD 1 25 GLY H 4.080 . 4.080 3.165 1.947 3.689 . 0 0 "[ . 1 . 2]" 1
126 1 24 LEU QD 1 28 PHE H 5.090 . 5.090 4.372 3.691 5.060 . 0 0 "[ . 1 . 2]" 1
127 1 24 LEU QD 1 48 PHE QE 4.260 . 4.260 2.661 2.210 3.259 . 0 0 "[ . 1 . 2]" 1
128 1 24 LEU QD 1 132 CYS H 4.800 . 4.800 3.892 3.011 4.812 0.012 20 0 "[ . 1 . 2]" 1
129 1 24 LEU QD 1 133 TRP HA 3.990 . 3.990 3.336 2.976 3.607 . 0 0 "[ . 1 . 2]" 1
130 1 24 LEU QD 1 133 TRP H 4.490 . 4.490 4.419 3.811 4.571 0.081 20 0 "[ . 1 . 2]" 1
131 1 24 LEU QD 1 134 LEU H 4.440 . 4.440 4.203 3.852 4.475 0.035 4 0 "[ . 1 . 2]" 1
132 1 24 LEU MD1 1 25 GLY HA3 6.700 . 6.700 5.065 3.539 6.046 . 0 0 "[ . 1 . 2]" 1
133 1 24 LEU MD1 1 25 GLY HA2 6.700 . 6.700 4.215 2.528 5.305 . 0 0 "[ . 1 . 2]" 1
134 1 24 LEU MD1 1 133 TRP HA 4.930 . 4.930 4.452 3.025 4.955 0.025 3 0 "[ . 1 . 2]" 1
135 1 24 LEU MD2 1 25 GLY HA3 6.700 . 6.700 4.772 3.411 5.272 . 0 0 "[ . 1 . 2]" 1
136 1 24 LEU MD2 1 25 GLY HA2 6.700 . 6.700 4.406 2.570 5.080 . 0 0 "[ . 1 . 2]" 1
137 1 24 LEU MD2 1 133 TRP HA 4.930 . 4.930 3.621 3.132 4.956 0.026 11 0 "[ . 1 . 2]" 1
138 1 24 LEU HG 1 25 GLY H 3.860 . 3.860 3.079 2.025 3.977 0.117 1 0 "[ . 1 . 2]" 1
139 1 24 LEU HG 1 28 PHE H 5.500 . 5.500 4.947 4.275 5.634 0.134 18 0 "[ . 1 . 2]" 1
140 1 24 LEU H 1 24 LEU QB 2.920 . 2.920 2.228 2.033 2.479 . 0 0 "[ . 1 . 2]" 1
141 1 24 LEU H 1 24 LEU HB3 3.620 . 3.620 2.394 2.250 2.524 . 0 0 "[ . 1 . 2]" 1
142 1 24 LEU H 1 24 LEU HB2 3.620 . 3.620 2.915 2.220 3.674 0.054 8 0 "[ . 1 . 2]" 1
143 1 24 LEU H 1 24 LEU QD 3.720 . 3.720 3.282 2.246 3.628 . 0 0 "[ . 1 . 2]" 1
144 1 24 LEU H 1 24 LEU MD1 4.300 . 4.300 4.004 3.880 4.195 . 0 0 "[ . 1 . 2]" 1
145 1 24 LEU H 1 24 LEU MD2 4.300 . 4.300 3.604 2.255 4.193 . 0 0 "[ . 1 . 2]" 1
146 1 24 LEU H 1 24 LEU HG 4.150 . 4.150 3.663 2.516 4.270 0.120 10 0 "[ . 1 . 2]" 1
147 1 24 LEU H 1 25 GLY H 3.230 . 3.230 2.564 2.408 2.696 . 0 0 "[ . 1 . 2]" 1
148 1 24 LEU H 1 26 TYR H 4.450 . 4.450 4.118 3.953 4.278 . 0 0 "[ . 1 . 2]" 1
149 1 24 LEU H 1 27 ASP H 4.910 . 4.910 4.654 4.522 4.879 . 0 0 "[ . 1 . 2]" 1
150 1 25 GLY QA 1 27 ASP H 4.240 . 4.240 4.107 4.021 4.203 . 0 0 "[ . 1 . 2]" 1
151 1 25 GLY QA 1 28 PHE QD 3.950 . 3.950 3.681 3.380 3.964 0.014 20 0 "[ . 1 . 2]" 1
152 1 25 GLY QA 1 28 PHE H 3.600 . 3.600 3.574 3.457 3.640 0.040 9 0 "[ . 1 . 2]" 1
153 1 25 GLY QA 1 29 ILE H 4.510 . 4.510 3.728 3.521 3.901 . 0 0 "[ . 1 . 2]" 1
154 1 25 GLY H 1 26 TYR QB 4.670 . 4.670 4.571 4.382 4.766 0.096 7 0 "[ . 1 . 2]" 1
155 1 25 GLY H 1 26 TYR H 3.400 . 3.400 2.736 2.619 2.896 . 0 0 "[ . 1 . 2]" 1
156 1 25 GLY H 1 27 ASP H 4.230 . 4.230 4.137 3.931 4.226 . 0 0 "[ . 1 . 2]" 1
157 1 26 TYR HA 1 26 TYR QD 3.770 . 3.770 2.775 2.301 3.727 . 0 0 "[ . 1 . 2]" 1
158 1 26 TYR HA 1 29 ILE HB 4.120 . 4.120 2.711 2.231 3.032 . 0 0 "[ . 1 . 2]" 1
159 1 26 TYR HA 1 29 ILE H 3.600 . 3.600 3.439 3.079 3.638 0.038 16 0 "[ . 1 . 2]" 1
160 1 26 TYR HA 1 30 ASP H 4.800 . 4.800 3.730 3.517 4.039 . 0 0 "[ . 1 . 2]" 1
161 1 26 TYR QD 1 27 ASP HA 4.720 . 4.720 3.423 3.031 4.341 . 0 0 "[ . 1 . 2]" 1
162 1 26 TYR QD 1 27 ASP H 4.230 . 4.230 3.606 3.313 4.248 0.018 15 0 "[ . 1 . 2]" 1
163 1 26 TYR H 1 26 TYR QB 2.800 . 2.800 2.302 2.216 2.419 . 0 0 "[ . 1 . 2]" 1
164 1 26 TYR H 1 26 TYR QD 4.270 . 4.270 4.156 2.934 4.260 . 0 0 "[ . 1 . 2]" 1
165 1 26 TYR H 1 27 ASP QB 4.710 . 4.710 4.424 4.300 4.591 . 0 0 "[ . 1 . 2]" 1
166 1 26 TYR H 1 27 ASP H 3.330 . 3.330 2.645 2.512 2.728 . 0 0 "[ . 1 . 2]" 1
167 1 26 TYR H 1 28 PHE H 4.640 . 4.640 4.163 3.986 4.313 . 0 0 "[ . 1 . 2]" 1
168 1 27 ASP HA 1 30 ASP QB 3.810 . 3.810 2.616 2.245 3.015 . 0 0 "[ . 1 . 2]" 1
169 1 27 ASP HA 1 30 ASP H 3.560 . 3.560 3.570 3.391 3.635 0.075 12 0 "[ . 1 . 2]" 1
170 1 27 ASP HA 1 31 LEU H 4.210 . 4.210 4.034 3.787 4.141 . 0 0 "[ . 1 . 2]" 1
171 1 27 ASP HA 1 48 PHE QE 5.500 . 5.500 5.272 4.854 5.508 0.008 16 0 "[ . 1 . 2]" 1
172 1 27 ASP QB 1 28 PHE H 3.240 . 3.240 2.484 2.286 2.641 . 0 0 "[ . 1 . 2]" 1
173 1 27 ASP HB3 1 28 PHE H 3.990 . 3.990 2.521 2.318 2.687 . 0 0 "[ . 1 . 2]" 1
174 1 27 ASP HB3 1 48 PHE QE 4.400 . 4.400 2.471 1.996 2.775 . 0 0 "[ . 1 . 2]" 1
175 1 27 ASP HB2 1 28 PHE H 3.990 . 3.990 3.745 3.482 3.919 . 0 0 "[ . 1 . 2]" 1
176 1 27 ASP HB2 1 48 PHE QE 4.400 . 4.400 4.021 3.399 4.407 0.007 15 0 "[ . 1 . 2]" 1
177 1 27 ASP H 1 27 ASP QB 2.710 . 2.710 2.252 2.168 2.324 . 0 0 "[ . 1 . 2]" 1
178 1 27 ASP H 1 27 ASP HB3 3.170 . 3.170 2.609 2.456 2.755 . 0 0 "[ . 1 . 2]" 1
179 1 27 ASP H 1 27 ASP HB2 3.170 . 3.170 2.475 2.276 2.623 . 0 0 "[ . 1 . 2]" 1
180 1 27 ASP H 1 28 PHE HA 5.350 . 5.350 5.246 5.176 5.332 . 0 0 "[ . 1 . 2]" 1
181 1 27 ASP H 1 28 PHE H 3.360 . 3.360 2.602 2.481 2.702 . 0 0 "[ . 1 . 2]" 1
182 1 27 ASP H 1 29 ILE HB 5.430 . 5.430 5.284 5.101 5.438 0.008 4 0 "[ . 1 . 2]" 1
183 1 27 ASP H 1 29 ILE H 4.260 . 4.260 4.218 4.115 4.287 0.027 4 0 "[ . 1 . 2]" 1
184 1 27 ASP H 1 31 LEU QD 5.440 . 5.440 5.482 5.446 5.522 0.082 17 0 "[ . 1 . 2]" 1
185 1 27 ASP H 1 48 PHE QE 4.800 . 4.800 4.646 4.284 4.814 0.014 6 0 "[ . 1 . 2]" 1
186 1 28 PHE HA 1 28 PHE QD 3.280 . 3.280 3.152 3.045 3.252 . 0 0 "[ . 1 . 2]" 1
187 1 28 PHE HA 1 31 LEU QD 3.880 . 3.880 2.288 2.191 2.429 . 0 0 "[ . 1 . 2]" 1
188 1 28 PHE HA 1 31 LEU MD1 4.980 . 4.980 2.911 2.553 3.343 . 0 0 "[ . 1 . 2]" 1
189 1 28 PHE HA 1 31 LEU MD2 4.980 . 4.980 2.426 2.242 2.759 . 0 0 "[ . 1 . 2]" 1
190 1 28 PHE HA 1 31 LEU H 3.600 . 3.600 3.650 3.612 3.696 0.096 10 0 "[ . 1 . 2]" 1
191 1 28 PHE HA 1 32 VAL H 4.800 . 4.800 4.251 4.162 4.404 . 0 0 "[ . 1 . 2]" 1
192 1 28 PHE HA 1 45 LEU QD 5.250 . 5.250 3.571 3.300 3.823 . 0 0 "[ . 1 . 2]" 1
193 1 28 PHE HA 1 48 PHE QD 4.270 . 4.270 3.863 3.598 4.052 . 0 0 "[ . 1 . 2]" 1
194 1 28 PHE HA 1 48 PHE QE 4.280 . 4.280 3.953 3.675 4.092 . 0 0 "[ . 1 . 2]" 1
195 1 28 PHE QB 1 48 PHE QD 4.380 . 4.380 3.817 3.657 3.975 . 0 0 "[ . 1 . 2]" 1
196 1 28 PHE QB 1 48 PHE QE 4.160 . 4.160 2.867 2.621 3.025 . 0 0 "[ . 1 . 2]" 1
197 1 28 PHE QD 1 29 ILE HB 3.740 . 3.740 3.799 3.762 3.841 0.101 13 0 "[ . 1 . 2]" 1
198 1 28 PHE QD 1 29 ILE MD 4.120 . 4.120 2.571 2.369 2.855 . 0 0 "[ . 1 . 2]" 1
199 1 28 PHE QD 1 29 ILE QG 3.830 . 3.830 2.037 1.987 2.101 . 0 0 "[ . 1 . 2]" 1
200 1 28 PHE QD 1 29 ILE H 3.870 . 3.870 2.645 2.565 2.758 . 0 0 "[ . 1 . 2]" 1
201 1 28 PHE QD 1 30 ASP H 5.260 . 5.260 4.985 4.826 5.104 . 0 0 "[ . 1 . 2]" 1
202 1 28 PHE QD 1 32 VAL HB 4.650 . 4.650 4.664 4.364 4.704 0.054 15 0 "[ . 1 . 2]" 1
203 1 28 PHE QD 1 45 LEU QD 3.970 . 3.970 2.496 2.263 2.669 . 0 0 "[ . 1 . 2]" 1
204 1 28 PHE QD 1 45 LEU HG 4.840 . 4.840 4.908 4.857 4.931 0.091 2 0 "[ . 1 . 2]" 1
205 1 28 PHE QD 1 48 PHE QD 4.000 . 4.000 2.829 2.351 3.074 . 0 0 "[ . 1 . 2]" 1
206 1 28 PHE QD 1 48 PHE QE 3.660 . 3.660 2.513 2.130 2.940 . 0 0 "[ . 1 . 2]" 1
207 1 28 PHE H 1 28 PHE QB 3.070 . 3.070 2.083 2.038 2.132 . 0 0 "[ . 1 . 2]" 1
208 1 28 PHE H 1 28 PHE QD 4.010 . 4.010 4.040 4.016 4.058 0.048 5 0 "[ . 1 . 2]" 1
209 1 28 PHE H 1 29 ILE HB 4.710 . 4.710 4.740 4.718 4.770 0.060 19 0 "[ . 1 . 2]" 1
210 1 28 PHE H 1 29 ILE H 3.620 . 3.620 2.763 2.743 2.811 . 0 0 "[ . 1 . 2]" 1
211 1 28 PHE H 1 30 ASP H 4.700 . 4.700 4.007 3.825 4.193 . 0 0 "[ . 1 . 2]" 1
212 1 28 PHE H 1 31 LEU QD 4.210 . 4.210 4.022 3.944 4.126 . 0 0 "[ . 1 . 2]" 1
213 1 28 PHE H 1 31 LEU H 5.260 . 5.260 4.691 4.581 4.758 . 0 0 "[ . 1 . 2]" 1
214 1 28 PHE H 1 48 PHE QD 4.800 . 4.800 4.718 4.416 4.847 0.047 19 0 "[ . 1 . 2]" 1
215 1 28 PHE H 1 48 PHE QE 4.000 . 4.000 3.504 3.276 3.644 . 0 0 "[ . 1 . 2]" 1
216 1 29 ILE HA 1 29 ILE MD 3.230 . 3.230 1.872 1.846 1.899 . 0 0 "[ . 1 . 2]" 1
217 1 29 ILE HA 1 29 ILE MG 3.480 . 3.480 2.692 2.658 2.744 . 0 0 "[ . 1 . 2]" 1
218 1 29 ILE HA 1 30 ASP HA 4.940 . 4.940 4.709 4.600 4.826 . 0 0 "[ . 1 . 2]" 1
219 1 29 ILE HA 1 31 LEU H 4.930 . 4.930 4.369 4.269 4.430 . 0 0 "[ . 1 . 2]" 1
220 1 29 ILE HA 1 32 VAL HB 3.860 . 3.860 2.364 2.245 2.460 . 0 0 "[ . 1 . 2]" 1
221 1 29 ILE HA 1 32 VAL MG1 3.840 . 3.840 3.768 3.661 3.854 0.014 7 0 "[ . 1 . 2]" 1
222 1 29 ILE HA 1 32 VAL MG2 3.840 . 3.840 3.032 2.897 3.148 . 0 0 "[ . 1 . 2]" 1
223 1 29 ILE HA 1 32 VAL H 3.600 . 3.600 3.246 3.180 3.304 . 0 0 "[ . 1 . 2]" 1
224 1 29 ILE HA 1 33 THR MG 4.110 . 4.110 3.920 3.777 4.088 . 0 0 "[ . 1 . 2]" 1
225 1 29 ILE HA 1 33 THR H 4.410 . 4.410 4.387 4.248 4.445 0.035 15 0 "[ . 1 . 2]" 1
226 1 29 ILE HB 1 30 ASP HA 5.410 . 5.410 4.799 4.716 4.924 . 0 0 "[ . 1 . 2]" 1
227 1 29 ILE HB 1 30 ASP H 3.200 . 3.200 3.009 2.898 3.110 . 0 0 "[ . 1 . 2]" 1
228 1 29 ILE MD 1 30 ASP H 4.900 . 4.900 4.729 4.682 4.773 . 0 0 "[ . 1 . 2]" 1
229 1 29 ILE MD 1 32 VAL HB 4.260 . 4.260 2.964 2.810 3.089 . 0 0 "[ . 1 . 2]" 1
230 1 29 ILE MD 1 32 VAL H 4.400 . 4.400 4.475 4.436 4.503 0.103 15 0 "[ . 1 . 2]" 1
231 1 29 ILE MD 1 33 THR MG 3.830 . 3.830 3.600 3.239 3.830 0.000 14 0 "[ . 1 . 2]" 1
232 1 29 ILE MD 1 103 TRP HE1 4.580 . 4.580 3.064 2.686 3.198 . 0 0 "[ . 1 . 2]" 1
233 1 29 ILE QG 1 103 TRP HE1 5.340 . 5.340 5.242 4.826 5.391 0.051 4 0 "[ . 1 . 2]" 1
234 1 29 ILE MD 1 29 ILE MG 3.490 . 3.490 2.081 2.048 2.108 . 0 0 "[ . 1 . 2]" 1
235 1 29 ILE MG 1 33 THR H 4.480 . 4.480 4.374 4.244 4.492 0.012 15 0 "[ . 1 . 2]" 1
236 1 29 ILE H 1 29 ILE HB 3.260 . 3.260 2.243 2.220 2.263 . 0 0 "[ . 1 . 2]" 1
237 1 29 ILE H 1 29 ILE MD 4.160 . 4.160 3.602 3.501 3.733 . 0 0 "[ . 1 . 2]" 1
238 1 30 ASP HA 1 33 THR HB 4.690 . 4.690 4.577 4.331 4.733 0.043 3 0 "[ . 1 . 2]" 1
239 1 30 ASP HA 1 33 THR H 3.600 . 3.600 3.317 3.121 3.471 . 0 0 "[ . 1 . 2]" 1
240 1 30 ASP HA 1 34 LYS H 4.800 . 4.800 4.853 4.820 4.891 0.091 5 0 "[ . 1 . 2]" 1
241 1 30 ASP QB 1 31 LEU H 3.210 . 3.210 2.590 2.432 2.776 . 0 0 "[ . 1 . 2]" 1
242 1 30 ASP HB3 1 31 LEU H 4.020 . 4.020 2.627 2.458 2.829 . 0 0 "[ . 1 . 2]" 1
243 1 30 ASP HB2 1 31 LEU H 4.020 . 4.020 3.944 3.829 4.039 0.019 15 0 "[ . 1 . 2]" 1
244 1 30 ASP H 1 30 ASP HB3 3.020 . 3.020 2.496 2.375 2.635 . 0 0 "[ . 1 . 2]" 1
245 1 30 ASP H 1 30 ASP HB2 3.020 . 3.020 2.627 2.506 2.717 . 0 0 "[ . 1 . 2]" 1
246 1 30 ASP H 1 31 LEU HA 5.500 . 5.500 5.191 5.023 5.292 . 0 0 "[ . 1 . 2]" 1
247 1 30 ASP H 1 31 LEU QD 5.130 . 5.130 4.580 4.489 4.709 . 0 0 "[ . 1 . 2]" 1
248 1 30 ASP H 1 31 LEU HG 5.420 . 5.420 4.223 4.072 4.374 . 0 0 "[ . 1 . 2]" 1
249 1 30 ASP H 1 31 LEU H 3.400 . 3.400 2.705 2.538 2.812 . 0 0 "[ . 1 . 2]" 1
250 1 30 ASP H 1 32 VAL H 4.980 . 4.980 3.972 3.822 4.040 . 0 0 "[ . 1 . 2]" 1
251 1 30 ASP H 1 33 THR HG1 4.800 . 4.800 4.175 3.971 4.350 . 0 0 "[ . 1 . 2]" 1
252 1 30 ASP H 1 33 THR MG 5.500 . 5.500 5.253 4.987 5.506 0.006 5 0 "[ . 1 . 2]" 1
253 1 31 LEU HA 1 31 LEU QD 3.420 . 3.420 3.378 3.341 3.408 . 0 0 "[ . 1 . 2]" 1
254 1 31 LEU HA 1 31 LEU MD1 4.180 . 4.180 3.606 3.548 3.643 . 0 0 "[ . 1 . 2]" 1
255 1 31 LEU HA 1 31 LEU MD2 4.180 . 4.180 4.076 4.041 4.103 . 0 0 "[ . 1 . 2]" 1
256 1 31 LEU HA 1 33 THR H 4.300 . 4.300 3.683 3.519 3.836 . 0 0 "[ . 1 . 2]" 1
257 1 31 LEU HA 1 34 LYS H 3.600 . 3.600 3.343 3.136 3.584 . 0 0 "[ . 1 . 2]" 1
258 1 31 LEU QB 1 31 LEU QD 2.830 . 2.830 1.901 1.878 1.919 . 0 0 "[ . 1 . 2]" 1
259 1 31 LEU HB3 1 32 VAL H 4.510 . 4.510 4.215 4.134 4.351 . 0 0 "[ . 1 . 2]" 1
260 1 31 LEU HB2 1 32 VAL H 4.510 . 4.510 4.027 3.964 4.129 . 0 0 "[ . 1 . 2]" 1
261 1 31 LEU QD 1 32 VAL HA 3.820 . 3.820 2.792 2.702 2.995 . 0 0 "[ . 1 . 2]" 1
262 1 31 LEU QD 1 32 VAL H 3.700 . 3.700 2.420 2.284 2.622 . 0 0 "[ . 1 . 2]" 1
263 1 31 LEU QD 1 33 THR MG 5.440 . 5.440 5.474 5.430 5.530 0.090 9 0 "[ . 1 . 2]" 1
264 1 31 LEU QD 1 33 THR H 4.760 . 4.760 4.322 4.263 4.415 . 0 0 "[ . 1 . 2]" 1
265 1 31 LEU QD 1 34 LYS QB 4.810 . 4.810 4.396 4.054 4.905 0.095 4 0 "[ . 1 . 2]" 1
266 1 31 LEU QD 1 34 LYS H 4.690 . 4.690 4.716 4.675 4.770 0.080 17 0 "[ . 1 . 2]" 1
267 1 31 LEU QD 1 44 GLU HA 4.910 . 4.910 3.644 3.491 3.972 . 0 0 "[ . 1 . 2]" 1
268 1 31 LEU QD 1 44 GLU QB 3.460 . 3.460 2.163 1.990 2.286 . 0 0 "[ . 1 . 2]" 1
269 1 31 LEU QD 1 44 GLU QG 4.210 . 4.210 3.687 3.509 3.951 . 0 0 "[ . 1 . 2]" 1
270 1 31 LEU QD 1 44 GLU H 3.850 . 3.850 3.905 3.852 3.953 0.103 9 0 "[ . 1 . 2]" 1
271 1 31 LEU QD 1 45 LEU HA 3.590 . 3.590 2.081 1.915 2.171 . 0 0 "[ . 1 . 2]" 1
272 1 31 LEU QD 1 45 LEU QB 3.870 . 3.870 2.249 2.057 2.485 . 0 0 "[ . 1 . 2]" 1
273 1 31 LEU QD 1 45 LEU H 3.550 . 3.550 2.587 2.456 2.697 . 0 0 "[ . 1 . 2]" 1
274 1 31 LEU QD 1 47 HIS H 5.440 . 5.440 4.513 4.428 4.721 . 0 0 "[ . 1 . 2]" 1
275 1 31 LEU QD 1 48 PHE QB 3.460 . 3.460 1.959 1.842 2.072 . 0 0 "[ . 1 . 2]" 1
276 1 31 LEU QD 1 48 PHE QD 3.280 . 3.280 2.589 2.042 2.871 . 0 0 "[ . 1 . 2]" 1
277 1 31 LEU QD 1 48 PHE QE 4.340 . 4.340 3.770 3.545 3.947 . 0 0 "[ . 1 . 2]" 1
278 1 31 LEU QD 1 48 PHE H 4.000 . 4.000 3.475 3.376 3.650 . 0 0 "[ . 1 . 2]" 1
279 1 31 LEU QD 1 49 LEU H 5.290 . 5.290 4.542 4.408 4.680 . 0 0 "[ . 1 . 2]" 1
280 1 31 LEU MD1 1 44 GLU HB3 6.330 . 6.330 3.237 2.708 3.651 . 0 0 "[ . 1 . 2]" 1
281 1 31 LEU MD1 1 44 GLU HB2 6.330 . 6.330 2.435 2.180 2.689 . 0 0 "[ . 1 . 2]" 1
282 1 31 LEU MD1 1 45 LEU H 4.710 . 4.710 2.621 2.489 2.734 . 0 0 "[ . 1 . 2]" 1
283 1 31 LEU MD1 1 48 PHE HB3 6.390 . 6.390 3.510 3.049 3.961 . 0 0 "[ . 1 . 2]" 1
284 1 31 LEU MD1 1 48 PHE HB2 6.390 . 6.390 3.572 2.918 4.043 . 0 0 "[ . 1 . 2]" 1
285 1 31 LEU MD2 1 44 GLU HB3 6.330 . 6.330 2.689 2.349 3.309 . 0 0 "[ . 1 . 2]" 1
286 1 31 LEU MD2 1 44 GLU HB2 6.330 . 6.330 3.256 2.951 3.500 . 0 0 "[ . 1 . 2]" 1
287 1 31 LEU MD2 1 45 LEU H 4.710 . 4.710 4.010 3.563 4.270 . 0 0 "[ . 1 . 2]" 1
288 1 31 LEU MD2 1 48 PHE HB3 6.390 . 6.390 2.822 2.579 3.133 . 0 0 "[ . 1 . 2]" 1
289 1 31 LEU MD2 1 48 PHE HB2 6.390 . 6.390 2.027 1.889 2.172 . 0 0 "[ . 1 . 2]" 1
290 1 31 LEU HG 1 32 VAL H 4.340 . 4.340 2.844 2.578 3.134 . 0 0 "[ . 1 . 2]" 1
291 1 31 LEU H 1 31 LEU QB 2.900 . 2.900 2.626 2.548 2.749 . 0 0 "[ . 1 . 2]" 1
292 1 31 LEU H 1 31 LEU HB3 3.600 . 3.600 2.696 2.606 2.848 . 0 0 "[ . 1 . 2]" 1
293 1 31 LEU H 1 31 LEU HB2 3.600 . 3.600 3.622 3.603 3.646 0.046 15 0 "[ . 1 . 2]" 1
294 1 31 LEU H 1 31 LEU QD 3.170 . 3.170 3.015 2.898 3.093 . 0 0 "[ . 1 . 2]" 1
295 1 31 LEU H 1 31 LEU MD1 4.300 . 4.300 3.418 3.142 3.582 . 0 0 "[ . 1 . 2]" 1
296 1 31 LEU H 1 31 LEU MD2 4.300 . 4.300 3.367 3.227 3.508 . 0 0 "[ . 1 . 2]" 1
297 1 31 LEU H 1 31 LEU HG 4.070 . 4.070 2.145 1.950 2.281 . 0 0 "[ . 1 . 2]" 1
298 1 31 LEU H 1 32 VAL HB 4.640 . 4.640 4.670 4.656 4.686 0.046 1 0 "[ . 1 . 2]" 1
299 1 31 LEU H 1 32 VAL H 3.390 . 3.390 2.570 2.529 2.612 . 0 0 "[ . 1 . 2]" 1
300 1 32 VAL HA 1 32 VAL QG 3.130 . 3.130 2.143 2.134 2.156 . 0 0 "[ . 1 . 2]" 1
301 1 32 VAL HA 1 34 LYS H 4.170 . 4.170 3.808 3.646 3.950 . 0 0 "[ . 1 . 2]" 1
302 1 32 VAL HA 1 45 LEU QD 4.400 . 4.400 4.106 3.689 4.449 0.049 13 0 "[ . 1 . 2]" 1
303 1 32 VAL HB 1 33 THR H 3.790 . 3.790 3.204 3.055 3.307 . 0 0 "[ . 1 . 2]" 1
304 1 32 VAL QG 1 33 THR H 3.800 . 3.800 3.469 3.393 3.538 . 0 0 "[ . 1 . 2]" 1
305 1 32 VAL QG 1 34 LYS H 4.520 . 4.520 4.380 4.219 4.509 . 0 0 "[ . 1 . 2]" 1
306 1 32 VAL MG1 1 33 THR H 4.910 . 4.910 3.714 3.613 3.830 . 0 0 "[ . 1 . 2]" 1
307 1 32 VAL MG1 1 34 LYS H 5.310 . 5.310 4.712 4.526 4.876 . 0 0 "[ . 1 . 2]" 1
308 1 32 VAL MG2 1 33 THR H 4.910 . 4.910 4.162 4.116 4.194 . 0 0 "[ . 1 . 2]" 1
309 1 32 VAL MG2 1 34 LYS H 5.310 . 5.310 5.207 5.042 5.312 0.002 15 0 "[ . 1 . 2]" 1
310 1 32 VAL H 1 32 VAL HB 3.280 . 3.280 2.365 2.326 2.392 . 0 0 "[ . 1 . 2]" 1
311 1 32 VAL H 1 32 VAL QG 3.190 . 3.190 2.301 2.240 2.383 . 0 0 "[ . 1 . 2]" 1
312 1 32 VAL H 1 32 VAL MG1 3.710 . 3.710 3.728 3.719 3.739 0.029 17 0 "[ . 1 . 2]" 1
313 1 32 VAL H 1 32 VAL MG2 3.710 . 3.710 2.323 2.258 2.412 . 0 0 "[ . 1 . 2]" 1
314 1 32 VAL H 1 33 THR MG 4.920 . 4.920 4.247 4.120 4.346 . 0 0 "[ . 1 . 2]" 1
315 1 32 VAL H 1 33 THR H 3.570 . 3.570 2.585 2.494 2.640 . 0 0 "[ . 1 . 2]" 1
316 1 32 VAL H 1 34 LYS H 4.270 . 4.270 4.060 3.808 4.214 . 0 0 "[ . 1 . 2]" 1
317 1 32 VAL H 1 45 LEU QD 4.800 . 4.800 4.429 4.070 4.800 . 13 0 "[ . 1 . 2]" 1
318 1 33 THR HA 1 33 THR MG 3.110 . 3.110 2.303 2.258 2.339 . 0 0 "[ . 1 . 2]" 1
319 1 33 THR HG1 1 34 LYS H 4.610 . 4.610 4.095 3.923 4.293 . 0 0 "[ . 1 . 2]" 1
320 1 33 THR MG 1 34 LYS H 4.300 . 4.300 4.269 4.120 4.337 0.037 6 0 "[ . 1 . 2]" 1
321 1 33 THR H 1 33 THR HG1 3.540 . 3.540 2.146 1.988 2.246 . 0 0 "[ . 1 . 2]" 1
322 1 33 THR H 1 33 THR MG 3.170 . 3.170 2.846 2.743 2.905 . 0 0 "[ . 1 . 2]" 1
323 1 33 THR H 1 34 LYS HA 4.880 . 4.880 4.298 4.008 4.472 . 0 0 "[ . 1 . 2]" 1
324 1 33 THR H 1 34 LYS H 3.250 . 3.250 2.314 2.167 2.437 . 0 0 "[ . 1 . 2]" 1
325 1 34 LYS HA 1 34 LYS QD 3.400 . 3.400 1.975 1.883 2.103 . 0 0 "[ . 1 . 2]" 1
326 1 34 LYS HA 1 34 LYS QE 4.690 . 4.690 3.813 3.014 4.115 . 0 0 "[ . 1 . 2]" 1
327 1 34 LYS HA 1 35 SER HA 4.320 . 4.320 4.291 4.213 4.338 0.018 9 0 "[ . 1 . 2]" 1
328 1 34 LYS HA 1 35 SER H 3.000 . 3.000 2.218 2.056 2.485 . 0 0 "[ . 1 . 2]" 1
329 1 34 LYS QB 1 34 LYS QE 3.830 . 3.830 3.506 2.082 3.834 0.004 1 0 "[ . 1 . 2]" 1
330 1 34 LYS QB 1 35 SER HA 5.340 . 5.340 4.750 4.308 5.049 . 0 0 "[ . 1 . 2]" 1
331 1 34 LYS QB 1 35 SER H 4.370 . 4.370 3.144 2.337 3.715 . 0 0 "[ . 1 . 2]" 1
332 1 34 LYS QD 1 35 SER H 3.610 . 3.610 2.929 2.122 3.650 0.040 7 0 "[ . 1 . 2]" 1
333 1 34 LYS QG 1 35 SER H 4.570 . 4.570 2.946 1.906 4.413 . 0 0 "[ . 1 . 2]" 1
334 1 34 LYS H 1 34 LYS QB 2.870 . 2.870 2.186 2.071 2.363 . 0 0 "[ . 1 . 2]" 1
335 1 34 LYS H 1 34 LYS HB3 3.450 . 3.450 3.079 2.560 3.573 0.123 15 0 "[ . 1 . 2]" 1
336 1 34 LYS H 1 34 LYS HB2 3.450 . 3.450 2.249 2.122 2.435 . 0 0 "[ . 1 . 2]" 1
337 1 34 LYS H 1 34 LYS QD 4.250 . 4.250 3.645 3.346 4.291 0.041 10 0 "[ . 1 . 2]" 1
338 1 34 LYS H 1 34 LYS QG 4.800 . 4.800 3.571 2.126 4.086 . 0 0 "[ . 1 . 2]" 1
339 1 34 LYS H 1 35 SER H 4.700 . 4.700 4.556 4.421 4.601 . 0 0 "[ . 1 . 2]" 1
340 1 35 SER HA 1 36 PRO HD3 3.520 . 3.520 2.388 2.031 2.555 . 0 0 "[ . 1 . 2]" 1
341 1 35 SER HA 1 36 PRO HD2 3.520 . 3.520 2.321 2.122 2.963 . 0 0 "[ . 1 . 2]" 1
342 1 35 SER HA 1 36 PRO QG 4.350 . 4.350 3.971 3.849 4.162 . 0 0 "[ . 1 . 2]" 1
343 1 35 SER HA 1 37 ASP H 3.830 . 3.830 3.818 3.432 3.927 0.097 13 0 "[ . 1 . 2]" 1
344 1 35 SER QB 1 36 PRO QD 4.250 . 4.250 2.326 1.900 3.248 . 0 0 "[ . 1 . 2]" 1
345 1 35 SER QB 1 37 ASP H 3.760 . 3.760 2.576 2.198 2.870 . 0 0 "[ . 1 . 2]" 1
346 1 35 SER H 1 35 SER QB 3.530 . 3.530 2.471 2.178 2.596 . 0 0 "[ . 1 . 2]" 1
347 1 35 SER H 1 36 PRO QD 4.460 . 4.460 4.319 4.248 4.414 . 0 0 "[ . 1 . 2]" 1
348 1 35 SER H 1 36 PRO HD3 5.130 . 5.130 5.007 4.641 5.178 0.048 17 0 "[ . 1 . 2]" 1
349 1 35 SER H 1 36 PRO HD2 5.130 . 5.130 4.741 4.584 5.140 0.010 4 0 "[ . 1 . 2]" 1
350 1 36 PRO HA 1 38 SER H 4.390 . 4.390 3.613 3.449 3.888 . 0 0 "[ . 1 . 2]" 1
351 1 36 PRO QB 1 37 ASP H 3.810 . 3.810 3.426 2.928 3.561 . 0 0 "[ . 1 . 2]" 1
352 1 36 PRO HB3 1 37 ASP H 4.620 . 4.620 4.333 4.184 4.388 . 0 0 "[ . 1 . 2]" 1
353 1 36 PRO HB2 1 37 ASP H 4.620 . 4.620 3.597 2.990 3.780 . 0 0 "[ . 1 . 2]" 1
354 1 36 PRO HD3 1 37 ASP H 3.960 . 3.960 3.958 3.654 4.040 0.080 14 0 "[ . 1 . 2]" 1
355 1 36 PRO HD2 1 37 ASP H 3.960 . 3.960 2.966 2.486 3.142 . 0 0 "[ . 1 . 2]" 1
356 1 36 PRO QG 1 37 ASP H 3.790 . 3.790 3.136 2.882 3.881 0.091 11 0 "[ . 1 . 2]" 1
357 1 37 ASP QB 1 38 SER H 3.820 . 3.820 2.824 2.705 3.012 . 0 0 "[ . 1 . 2]" 1
358 1 37 ASP HB3 1 38 SER H 4.490 . 4.490 2.885 2.761 3.091 . 0 0 "[ . 1 . 2]" 1
359 1 37 ASP HB2 1 38 SER H 4.490 . 4.490 4.028 3.885 4.163 . 0 0 "[ . 1 . 2]" 1
360 1 37 ASP H 1 37 ASP HB3 3.230 . 3.230 2.534 2.382 2.692 . 0 0 "[ . 1 . 2]" 1
361 1 37 ASP H 1 37 ASP HB2 3.230 . 3.230 2.591 2.414 2.746 . 0 0 "[ . 1 . 2]" 1
362 1 37 ASP H 1 38 SER H 3.400 . 3.400 2.578 2.364 2.831 . 0 0 "[ . 1 . 2]" 1
363 1 38 SER HA 1 39 VAL HA 4.690 . 4.690 4.311 4.131 4.475 . 0 0 "[ . 1 . 2]" 1
364 1 38 SER H 1 38 SER QB 3.110 . 3.110 2.557 2.249 3.000 . 0 0 "[ . 1 . 2]" 1
365 1 39 VAL HA 1 39 VAL HB 2.930 . 2.930 2.695 2.415 3.004 0.074 4 0 "[ . 1 . 2]" 1
366 1 39 VAL HA 1 39 VAL QG 2.630 . 2.630 2.248 2.124 2.423 . 0 0 "[ . 1 . 2]" 1
367 1 39 VAL HA 1 39 VAL MG1 3.260 . 3.260 2.835 2.386 3.252 . 0 0 "[ . 1 . 2]" 1
368 1 39 VAL HA 1 39 VAL MG2 3.260 . 3.260 2.427 2.323 3.259 . 0 0 "[ . 1 . 2]" 1
369 1 39 VAL HA 1 40 ASN QB 4.790 . 4.790 4.516 4.098 4.913 0.123 14 0 "[ . 1 . 2]" 1
370 1 39 VAL HB 1 40 ASN QB 5.340 . 5.340 4.278 3.385 5.209 . 0 0 "[ . 1 . 2]" 1
371 1 39 VAL QG 1 40 ASN QB 4.260 . 4.260 2.495 2.101 3.678 . 0 0 "[ . 1 . 2]" 1
372 1 39 VAL QG 1 40 ASN QD 3.730 . 3.730 3.737 2.807 3.871 0.141 6 0 "[ . 1 . 2]" 1
373 1 39 VAL QG 1 41 SER H 5.440 . 5.440 5.063 4.162 5.483 0.043 7 0 "[ . 1 . 2]" 1
374 1 39 VAL H 1 39 VAL QG 4.210 . 4.210 2.099 1.905 2.244 . 0 0 "[ . 1 . 2]" 1
375 1 40 ASN HA 1 41 SER HA 4.550 . 4.550 4.373 4.231 4.472 . 0 0 "[ . 1 . 2]" 1
376 1 40 ASN HA 1 41 SER H 3.190 . 3.190 2.187 2.057 2.356 . 0 0 "[ . 1 . 2]" 1
377 1 40 ASN QB 1 41 SER H 3.870 . 3.870 3.656 2.790 3.925 0.055 5 0 "[ . 1 . 2]" 1
378 1 40 ASN HB3 1 41 SER H 4.700 . 4.700 4.061 3.114 4.405 . 0 0 "[ . 1 . 2]" 1
379 1 40 ASN HB2 1 41 SER H 4.700 . 4.700 4.235 2.862 4.598 . 0 0 "[ . 1 . 2]" 1
380 1 40 ASN QD 1 41 SER H 5.340 . 5.340 4.122 2.863 5.259 . 0 0 "[ . 1 . 2]" 1
381 1 40 ASN QD 1 78 LYS H 5.500 . 5.500 4.906 4.249 5.514 0.014 19 0 "[ . 1 . 2]" 1
382 1 41 SER HA 1 43 HIS H 4.130 . 4.130 3.821 3.666 3.947 . 0 0 "[ . 1 . 2]" 1
383 1 41 SER HA 1 44 GLU QB 3.900 . 3.900 3.307 2.929 3.568 . 0 0 "[ . 1 . 2]" 1
384 1 41 SER HA 1 44 GLU QG 4.360 . 4.360 2.938 2.554 3.349 . 0 0 "[ . 1 . 2]" 1
385 1 41 SER HA 1 44 GLU HG3 5.090 . 5.090 3.416 2.962 3.889 . 0 0 "[ . 1 . 2]" 1
386 1 41 SER HA 1 44 GLU HG2 5.090 . 5.090 3.324 2.690 5.000 . 0 0 "[ . 1 . 2]" 1
387 1 41 SER HA 1 44 GLU H 3.800 . 3.800 3.467 3.245 3.725 . 0 0 "[ . 1 . 2]" 1
388 1 41 SER QB 1 44 GLU H 5.340 . 5.340 4.851 4.565 5.146 . 0 0 "[ . 1 . 2]" 1
389 1 41 SER H 1 42 GLU QB 4.700 . 4.700 4.630 4.030 4.771 0.071 17 0 "[ . 1 . 2]" 1
390 1 41 SER H 1 42 GLU H 3.720 . 3.720 2.535 2.295 2.699 . 0 0 "[ . 1 . 2]" 1
391 1 42 GLU HA 1 44 GLU H 5.500 . 5.500 4.325 3.976 4.501 . 0 0 "[ . 1 . 2]" 1
392 1 42 GLU HA 1 45 LEU QB 3.790 . 3.790 2.123 1.943 2.317 . 0 0 "[ . 1 . 2]" 1
393 1 42 GLU HA 1 45 LEU H 3.600 . 3.600 3.047 2.787 3.277 . 0 0 "[ . 1 . 2]" 1
394 1 42 GLU HA 1 46 ALA H 4.800 . 4.800 3.764 3.546 3.935 . 0 0 "[ . 1 . 2]" 1
395 1 42 GLU QB 1 43 HIS H 3.660 . 3.660 3.164 2.744 3.689 0.029 2 0 "[ . 1 . 2]" 1
396 1 42 GLU QB 1 72 PHE QD 4.540 . 4.540 2.548 1.932 3.294 . 0 0 "[ . 1 . 2]" 1
397 1 42 GLU HB3 1 43 HIS H 4.190 . 4.190 3.988 2.800 4.317 0.127 14 0 "[ . 1 . 2]" 1
398 1 42 GLU HB2 1 43 HIS H 4.190 . 4.190 3.469 2.961 4.158 . 0 0 "[ . 1 . 2]" 1
399 1 42 GLU HG3 1 43 HIS H 5.500 . 5.500 4.816 4.266 5.334 . 0 0 "[ . 1 . 2]" 1
400 1 42 GLU HG2 1 43 HIS H 5.500 . 5.500 4.497 2.577 5.492 . 0 0 "[ . 1 . 2]" 1
401 1 42 GLU H 1 42 GLU QB 3.100 . 3.100 2.507 1.997 2.735 . 0 0 "[ . 1 . 2]" 1
402 1 42 GLU H 1 42 GLU QG 4.470 . 4.470 2.813 2.026 3.983 . 0 0 "[ . 1 . 2]" 1
403 1 42 GLU H 1 42 GLU HG3 5.300 . 5.300 3.422 2.642 4.438 . 0 0 "[ . 1 . 2]" 1
404 1 42 GLU H 1 42 GLU HG2 5.300 . 5.300 3.319 2.037 4.541 . 0 0 "[ . 1 . 2]" 1
405 1 42 GLU H 1 43 HIS HA 5.190 . 5.190 5.173 5.107 5.220 0.030 12 0 "[ . 1 . 2]" 1
406 1 42 GLU H 1 43 HIS H 3.490 . 3.490 2.600 2.499 2.759 . 0 0 "[ . 1 . 2]" 1
407 1 42 GLU H 1 44 GLU H 5.210 . 5.210 4.352 4.173 4.575 . 0 0 "[ . 1 . 2]" 1
408 1 42 GLU H 1 72 PHE QD 5.500 . 5.500 5.264 4.462 5.572 0.072 17 0 "[ . 1 . 2]" 1
409 1 42 GLU H 1 72 PHE QE 4.400 . 4.400 4.171 3.731 4.424 0.024 3 0 "[ . 1 . 2]" 1
410 1 43 HIS HA 1 44 GLU HA 4.920 . 4.920 4.753 4.708 4.824 . 0 0 "[ . 1 . 2]" 1
411 1 43 HIS HA 1 46 ALA MB 3.100 . 3.100 2.736 2.577 2.878 . 0 0 "[ . 1 . 2]" 1
412 1 43 HIS HA 1 46 ALA H 3.600 . 3.600 3.387 3.160 3.608 0.008 11 0 "[ . 1 . 2]" 1
413 1 43 HIS HA 1 47 HIS H 4.800 . 4.800 4.207 4.112 4.300 . 0 0 "[ . 1 . 2]" 1
414 1 43 HIS QB 1 44 GLU H 3.130 . 3.130 2.454 2.306 2.641 . 0 0 "[ . 1 . 2]" 1
415 1 43 HIS QB 1 46 ALA MB 5.340 . 5.340 4.437 4.255 4.592 . 0 0 "[ . 1 . 2]" 1
416 1 43 HIS HB3 1 44 GLU H 3.880 . 3.880 2.486 2.331 2.689 . 0 0 "[ . 1 . 2]" 1
417 1 43 HIS HB2 1 44 GLU H 3.880 . 3.880 3.795 3.670 3.893 0.013 5 0 "[ . 1 . 2]" 1
418 1 43 HIS H 1 43 HIS HB3 3.160 . 3.160 2.509 2.395 2.699 . 0 0 "[ . 1 . 2]" 1
419 1 43 HIS H 1 43 HIS HB2 3.160 . 3.160 2.621 2.464 2.736 . 0 0 "[ . 1 . 2]" 1
420 1 43 HIS H 1 44 GLU HA 5.470 . 5.470 5.116 5.004 5.222 . 0 0 "[ . 1 . 2]" 1
421 1 43 HIS H 1 44 GLU HG3 5.500 . 5.500 5.214 4.068 5.502 0.002 13 0 "[ . 1 . 2]" 1
422 1 43 HIS H 1 44 GLU HG2 5.500 . 5.500 3.949 3.593 5.514 0.014 17 0 "[ . 1 . 2]" 1
423 1 43 HIS H 1 44 GLU H 3.320 . 3.320 2.505 2.359 2.633 . 0 0 "[ . 1 . 2]" 1
424 1 43 HIS H 1 45 LEU H 4.580 . 4.580 3.649 3.516 3.822 . 0 0 "[ . 1 . 2]" 1
425 1 43 HIS H 1 46 ALA MB 4.780 . 4.780 4.759 4.678 4.796 0.016 9 0 "[ . 1 . 2]" 1
426 1 44 GLU HA 1 44 GLU QG 3.420 . 3.420 2.936 2.333 3.081 . 0 0 "[ . 1 . 2]" 1
427 1 44 GLU HA 1 44 GLU HG3 3.950 . 3.950 3.737 3.098 3.847 . 0 0 "[ . 1 . 2]" 1
428 1 44 GLU HA 1 44 GLU HG2 3.950 . 3.950 3.071 2.412 3.246 . 0 0 "[ . 1 . 2]" 1
429 1 44 GLU HA 1 47 HIS QB 3.430 . 3.430 2.427 2.101 2.544 . 0 0 "[ . 1 . 2]" 1
430 1 44 GLU HA 1 47 HIS HB3 3.950 . 3.950 2.513 2.180 2.632 . 0 0 "[ . 1 . 2]" 1
431 1 44 GLU HA 1 47 HIS HB2 3.950 . 3.950 3.215 2.752 3.509 . 0 0 "[ . 1 . 2]" 1
432 1 44 GLU HA 1 47 HIS H 3.340 . 3.340 3.358 3.219 3.409 0.069 18 0 "[ . 1 . 2]" 1
433 1 44 GLU HA 1 48 PHE H 4.800 . 4.800 4.129 4.041 4.207 . 0 0 "[ . 1 . 2]" 1
434 1 44 GLU QB 1 45 LEU HA 4.630 . 4.630 3.877 3.798 4.030 . 0 0 "[ . 1 . 2]" 1
435 1 44 GLU QB 1 45 LEU H 3.490 . 3.490 2.609 2.477 2.803 . 0 0 "[ . 1 . 2]" 1
436 1 44 GLU QG 1 45 LEU H 4.180 . 4.180 3.797 3.658 3.985 . 0 0 "[ . 1 . 2]" 1
437 1 44 GLU HG3 1 45 LEU H 4.840 . 4.840 4.735 4.191 4.860 0.020 7 0 "[ . 1 . 2]" 1
438 1 44 GLU HG2 1 45 LEU H 4.840 . 4.840 4.049 3.816 4.892 0.052 17 0 "[ . 1 . 2]" 1
439 1 44 GLU H 1 44 GLU QB 2.820 . 2.820 2.408 2.304 2.485 . 0 0 "[ . 1 . 2]" 1
440 1 44 GLU H 1 44 GLU QG 2.820 . 2.820 1.871 1.794 2.146 0.006 15 0 "[ . 1 . 2]" 1
441 1 44 GLU H 1 44 GLU HG3 3.230 . 3.230 3.214 2.140 3.348 0.118 8 0 "[ . 1 . 2]" 1
442 1 44 GLU H 1 44 GLU HG2 3.230 . 3.230 1.991 1.802 3.251 0.021 10 0 "[ . 1 . 2]" 1
443 1 44 GLU H 1 45 LEU QB 4.660 . 4.660 4.230 4.123 4.343 . 0 0 "[ . 1 . 2]" 1
444 1 44 GLU H 1 45 LEU HB3 5.500 . 5.500 4.721 4.557 4.879 . 0 0 "[ . 1 . 2]" 1
445 1 44 GLU H 1 45 LEU HB2 5.500 . 5.500 4.777 4.692 4.914 . 0 0 "[ . 1 . 2]" 1
446 1 44 GLU H 1 45 LEU H 3.380 . 3.380 2.478 2.377 2.604 . 0 0 "[ . 1 . 2]" 1
447 1 44 GLU H 1 46 ALA MB 5.130 . 5.130 4.860 4.769 4.922 . 0 0 "[ . 1 . 2]" 1
448 1 45 LEU HA 1 45 LEU QD 3.130 . 3.130 1.980 1.950 2.033 . 0 0 "[ . 1 . 2]" 1
449 1 45 LEU HA 1 45 LEU MD1 4.120 . 4.120 1.986 1.955 2.040 . 0 0 "[ . 1 . 2]" 1
450 1 45 LEU HA 1 45 LEU MD2 4.120 . 4.120 3.852 3.831 3.874 . 0 0 "[ . 1 . 2]" 1
451 1 45 LEU HA 1 47 HIS H 4.180 . 4.180 4.147 4.028 4.201 0.021 14 0 "[ . 1 . 2]" 1
452 1 45 LEU HA 1 48 PHE QB 4.170 . 4.170 2.268 2.166 2.397 . 0 0 "[ . 1 . 2]" 1
453 1 45 LEU HA 1 48 PHE QD 4.250 . 4.250 3.911 3.638 4.119 . 0 0 "[ . 1 . 2]" 1
454 1 45 LEU HA 1 48 PHE H 3.600 . 3.600 3.129 3.061 3.196 . 0 0 "[ . 1 . 2]" 1
455 1 45 LEU HA 1 49 LEU H 4.650 . 4.650 3.977 3.883 4.130 . 0 0 "[ . 1 . 2]" 1
456 1 45 LEU QB 1 46 ALA H 3.450 . 3.450 2.487 2.366 2.551 . 0 0 "[ . 1 . 2]" 1
457 1 45 LEU QB 1 47 HIS H 5.140 . 5.140 4.527 4.336 4.636 . 0 0 "[ . 1 . 2]" 1
458 1 45 LEU QD 1 46 ALA HA 5.160 . 5.160 4.302 4.218 4.422 . 0 0 "[ . 1 . 2]" 1
459 1 45 LEU QD 1 46 ALA MB 4.910 . 4.910 4.417 4.298 4.543 . 0 0 "[ . 1 . 2]" 1
460 1 45 LEU QD 1 47 HIS H 5.440 . 5.440 5.003 4.906 5.056 . 0 0 "[ . 1 . 2]" 1
461 1 45 LEU QD 1 48 PHE QB 4.860 . 4.860 2.494 2.389 2.654 . 0 0 "[ . 1 . 2]" 1
462 1 45 LEU QD 1 48 PHE QD 3.770 . 3.770 2.709 2.308 3.056 . 0 0 "[ . 1 . 2]" 1
463 1 45 LEU QD 1 48 PHE QE 4.420 . 4.420 3.906 3.459 4.349 . 0 0 "[ . 1 . 2]" 1
464 1 45 LEU QD 1 48 PHE H 4.040 . 4.040 4.088 4.001 4.120 0.080 2 0 "[ . 1 . 2]" 1
465 1 45 LEU QD 1 49 LEU QD 4.360 . 4.360 2.813 2.457 3.113 . 0 0 "[ . 1 . 2]" 1
466 1 45 LEU QD 1 49 LEU H 4.280 . 4.280 3.786 3.571 3.933 . 0 0 "[ . 1 . 2]" 1
467 1 45 LEU MD1 1 46 ALA H 4.630 . 4.630 4.431 4.335 4.499 . 0 0 "[ . 1 . 2]" 1
468 1 45 LEU MD2 1 46 ALA H 4.630 . 4.630 4.265 4.123 4.354 . 0 0 "[ . 1 . 2]" 1
469 1 45 LEU HG 1 46 ALA HA 4.200 . 4.200 3.842 3.706 4.002 . 0 0 "[ . 1 . 2]" 1
470 1 45 LEU HG 1 46 ALA H 3.970 . 3.970 3.760 3.660 3.888 . 0 0 "[ . 1 . 2]" 1
471 1 45 LEU HG 1 48 PHE QD 4.580 . 4.580 4.372 3.997 4.593 0.013 8 0 "[ . 1 . 2]" 1
472 1 45 LEU HG 1 49 LEU QD 3.380 . 3.380 2.196 1.987 3.010 . 0 0 "[ . 1 . 2]" 1
473 1 45 LEU H 1 45 LEU HB3 3.460 . 3.460 2.509 2.435 2.545 . 0 0 "[ . 1 . 2]" 1
474 1 45 LEU H 1 45 LEU HB2 3.460 . 3.460 2.473 2.401 2.532 . 0 0 "[ . 1 . 2]" 1
475 1 45 LEU H 1 45 LEU QD 4.190 . 4.190 3.665 3.613 3.707 . 0 0 "[ . 1 . 2]" 1
476 1 45 LEU H 1 45 LEU HG 4.350 . 4.350 4.418 4.393 4.436 0.086 10 0 "[ . 1 . 2]" 1
477 1 45 LEU H 1 46 ALA MB 4.530 . 4.530 4.319 4.265 4.386 . 0 0 "[ . 1 . 2]" 1
478 1 45 LEU H 1 46 ALA H 3.550 . 3.550 2.662 2.596 2.722 . 0 0 "[ . 1 . 2]" 1
479 1 45 LEU H 1 47 HIS H 4.200 . 4.200 3.897 3.688 4.044 . 0 0 "[ . 1 . 2]" 1
480 1 46 ALA HA 1 48 PHE H 4.210 . 4.210 4.239 4.189 4.266 0.056 7 0 "[ . 1 . 2]" 1
481 1 46 ALA HA 1 49 LEU QD 3.640 . 3.640 2.055 1.874 2.138 . 0 0 "[ . 1 . 2]" 1
482 1 46 ALA HA 1 49 LEU H 3.600 . 3.600 3.477 3.348 3.590 . 0 0 "[ . 1 . 2]" 1
483 1 46 ALA HA 1 50 GLY H 4.800 . 4.800 4.545 3.962 4.808 0.008 2 0 "[ . 1 . 2]" 1
484 1 46 ALA MB 1 47 HIS QB 3.930 . 3.930 3.781 3.586 3.865 . 0 0 "[ . 1 . 2]" 1
485 1 46 ALA MB 1 47 HIS H 3.000 . 3.000 2.610 2.519 2.702 . 0 0 "[ . 1 . 2]" 1
486 1 46 ALA MB 1 48 PHE H 4.630 . 4.630 4.483 4.404 4.555 . 0 0 "[ . 1 . 2]" 1
487 1 46 ALA MB 1 49 LEU QD 3.410 . 3.410 2.967 2.705 3.151 . 0 0 "[ . 1 . 2]" 1
488 1 46 ALA MB 1 72 PHE QE 4.180 . 4.180 3.647 3.193 4.235 0.055 16 0 "[ . 1 . 2]" 1
489 1 46 ALA H 1 46 ALA MB 2.850 . 2.850 2.236 2.219 2.248 . 0 0 "[ . 1 . 2]" 1
490 1 46 ALA H 1 47 HIS QB 4.540 . 4.540 4.347 4.221 4.447 . 0 0 "[ . 1 . 2]" 1
491 1 46 ALA H 1 47 HIS HB3 5.150 . 5.150 4.829 4.646 4.969 . 0 0 "[ . 1 . 2]" 1
492 1 46 ALA H 1 47 HIS HB2 5.150 . 5.150 4.940 4.817 5.072 . 0 0 "[ . 1 . 2]" 1
493 1 46 ALA H 1 47 HIS H 3.190 . 3.190 2.582 2.512 2.657 . 0 0 "[ . 1 . 2]" 1
494 1 46 ALA H 1 48 PHE H 4.440 . 4.440 3.995 3.943 4.060 . 0 0 "[ . 1 . 2]" 1
495 1 46 ALA H 1 49 LEU QD 4.140 . 4.140 3.745 3.578 3.938 . 0 0 "[ . 1 . 2]" 1
496 1 47 HIS HA 1 50 GLY H 3.600 . 3.600 3.585 3.435 3.659 0.059 14 0 "[ . 1 . 2]" 1
497 1 47 HIS QB 1 48 PHE H 3.490 . 3.490 2.712 2.582 2.859 . 0 0 "[ . 1 . 2]" 1
498 1 47 HIS HB3 1 48 PHE H 4.290 . 4.290 2.763 2.621 2.928 . 0 0 "[ . 1 . 2]" 1
499 1 47 HIS HB2 1 48 PHE H 4.290 . 4.290 3.947 3.836 4.040 . 0 0 "[ . 1 . 2]" 1
500 1 47 HIS H 1 47 HIS HA 2.900 . 2.900 2.862 2.846 2.879 . 0 0 "[ . 1 . 2]" 1
501 1 47 HIS H 1 47 HIS HB3 2.870 . 2.870 2.529 2.367 2.613 . 0 0 "[ . 1 . 2]" 1
502 1 47 HIS H 1 47 HIS HB2 2.870 . 2.870 2.561 2.486 2.674 . 0 0 "[ . 1 . 2]" 1
503 1 47 HIS H 1 48 PHE QB 4.170 . 4.170 4.137 4.060 4.197 0.027 12 0 "[ . 1 . 2]" 1
504 1 47 HIS H 1 48 PHE H 3.190 . 3.190 2.516 2.442 2.574 . 0 0 "[ . 1 . 2]" 1
505 1 47 HIS H 1 49 LEU QD 4.330 . 4.330 4.436 4.394 4.512 0.182 9 0 "[ . 1 . 2]" 1
506 1 48 PHE HA 1 48 PHE QD 3.430 . 3.430 2.940 2.777 3.108 . 0 0 "[ . 1 . 2]" 1
507 1 48 PHE HA 1 48 PHE QE 5.500 . 5.500 4.771 4.626 4.908 . 0 0 "[ . 1 . 2]" 1
508 1 48 PHE QB 1 49 LEU H 3.600 . 3.600 2.486 2.257 2.668 . 0 0 "[ . 1 . 2]" 1
509 1 48 PHE QB 1 50 GLY H 4.710 . 4.710 4.378 4.232 4.668 . 0 0 "[ . 1 . 2]" 1
510 1 48 PHE QD 1 49 LEU HA 4.080 . 4.080 3.207 2.928 3.525 . 0 0 "[ . 1 . 2]" 1
511 1 48 PHE QD 1 49 LEU QB 4.150 . 4.150 2.926 2.623 3.877 . 0 0 "[ . 1 . 2]" 1
512 1 48 PHE QD 1 49 LEU QD 4.180 . 4.180 3.913 3.297 4.187 0.007 8 0 "[ . 1 . 2]" 1
513 1 48 PHE QD 1 49 LEU H 3.760 . 3.760 3.138 2.903 3.570 . 0 0 "[ . 1 . 2]" 1
514 1 48 PHE H 1 48 PHE QB 3.010 . 3.010 2.130 2.106 2.182 . 0 0 "[ . 1 . 2]" 1
515 1 48 PHE H 1 48 PHE QD 3.970 . 3.970 4.048 4.022 4.076 0.106 19 0 "[ . 1 . 2]" 1
516 1 48 PHE H 1 49 LEU QD 4.500 . 4.500 4.345 4.223 4.621 0.121 9 0 "[ . 1 . 2]" 1
517 1 49 LEU HA 1 49 LEU QD 3.600 . 3.600 3.308 2.103 3.423 . 0 0 "[ . 1 . 2]" 1
518 1 49 LEU HA 1 52 HIS HD2 4.000 . 4.000 3.465 2.803 4.021 0.021 12 0 "[ . 1 . 2]" 1
519 1 49 LEU HA 1 52 HIS H 4.000 . 4.000 3.072 2.811 3.553 . 0 0 "[ . 1 . 2]" 1
520 1 49 LEU HA 1 53 ASP H 5.500 . 5.500 4.736 4.448 5.111 . 0 0 "[ . 1 . 2]" 1
521 1 49 LEU QB 1 50 GLY H 4.350 . 4.350 3.775 2.482 3.899 . 0 0 "[ . 1 . 2]" 1
522 1 49 LEU QD 1 50 GLY QA 5.040 . 5.040 2.910 2.496 4.097 . 0 0 "[ . 1 . 2]" 1
523 1 49 LEU QD 1 50 GLY H 3.710 . 3.710 3.186 2.634 3.809 0.099 9 0 "[ . 1 . 2]" 1
524 1 49 LEU QD 1 52 HIS H 4.050 . 4.050 4.134 4.047 4.187 0.137 1 0 "[ . 1 . 2]" 1
525 1 49 LEU QD 1 53 ASP HA 4.670 . 4.670 2.980 2.530 3.348 . 0 0 "[ . 1 . 2]" 1
526 1 49 LEU QD 1 53 ASP H 4.310 . 4.310 4.319 4.067 4.421 0.111 2 0 "[ . 1 . 2]" 1
527 1 49 LEU MD1 1 50 GLY H 4.570 . 4.570 3.285 2.649 4.553 . 0 0 "[ . 1 . 2]" 1
528 1 49 LEU MD2 1 50 GLY H 4.570 . 4.570 4.598 4.085 4.667 0.097 20 0 "[ . 1 . 2]" 1
529 1 49 LEU H 1 49 LEU HB3 3.880 . 3.880 2.652 2.251 2.826 . 0 0 "[ . 1 . 2]" 1
530 1 49 LEU H 1 49 LEU HB2 3.880 . 3.880 3.555 2.208 3.645 . 0 0 "[ . 1 . 2]" 1
531 1 49 LEU H 1 49 LEU QD 3.590 . 3.590 2.959 2.831 3.397 . 0 0 "[ . 1 . 2]" 1
532 1 49 LEU H 1 50 GLY QA 4.950 . 4.950 4.326 4.257 4.419 . 0 0 "[ . 1 . 2]" 1
533 1 49 LEU H 1 50 GLY H 3.390 . 3.390 2.505 2.404 2.595 . 0 0 "[ . 1 . 2]" 1
534 1 50 GLY QA 1 51 PRO QD 3.060 . 3.060 2.201 2.053 2.317 . 0 0 "[ . 1 . 2]" 1
535 1 50 GLY H 1 50 GLY HA3 2.950 . 2.950 2.326 2.302 2.355 . 0 0 "[ . 1 . 2]" 1
536 1 50 GLY H 1 50 GLY HA2 2.950 . 2.950 2.742 2.685 2.787 . 0 0 "[ . 1 . 2]" 1
537 1 50 GLY H 1 51 PRO QD 3.000 . 3.000 2.682 2.539 2.901 . 0 0 "[ . 1 . 2]" 1
538 1 50 GLY H 1 51 PRO HD3 3.390 . 3.390 3.036 2.827 3.411 0.021 6 0 "[ . 1 . 2]" 1
539 1 50 GLY H 1 51 PRO HD2 3.390 . 3.390 3.067 2.622 3.392 0.002 9 0 "[ . 1 . 2]" 1
540 1 50 GLY H 1 52 HIS H 4.320 . 4.320 3.827 3.655 4.150 . 0 0 "[ . 1 . 2]" 1
541 1 51 PRO HA 1 53 ASP H 4.630 . 4.630 3.885 3.446 4.312 . 0 0 "[ . 1 . 2]" 1
542 1 51 PRO QB 1 52 HIS H 3.840 . 3.840 3.563 3.437 3.718 . 0 0 "[ . 1 . 2]" 1
543 1 51 PRO QD 1 52 HIS H 3.270 . 3.270 2.655 2.494 2.830 . 0 0 "[ . 1 . 2]" 1
544 1 51 PRO HD3 1 52 HIS H 3.870 . 3.870 3.794 3.668 3.892 0.022 9 0 "[ . 1 . 2]" 1
545 1 51 PRO HD2 1 52 HIS H 3.870 . 3.870 2.712 2.530 2.909 . 0 0 "[ . 1 . 2]" 1
546 1 52 HIS HA 1 53 ASP H 3.150 . 3.150 2.928 2.752 3.125 . 0 0 "[ . 1 . 2]" 1
547 1 52 HIS HA 1 133 TRP HD1 4.000 . 4.000 4.045 3.958 4.104 0.104 13 0 "[ . 1 . 2]" 1
548 1 52 HIS HA 1 133 TRP HE1 4.000 . 4.000 1.958 1.759 2.234 0.041 13 0 "[ . 1 . 2]" 1
549 1 52 HIS QB 1 53 ASP H 4.010 . 4.010 3.784 3.671 3.888 . 0 0 "[ . 1 . 2]" 1
550 1 52 HIS HB3 1 53 ASP H 4.580 . 4.580 4.449 4.389 4.533 . 0 0 "[ . 1 . 2]" 1
551 1 52 HIS HB2 1 53 ASP H 4.580 . 4.580 4.098 3.927 4.266 . 0 0 "[ . 1 . 2]" 1
552 1 52 HIS H 1 52 HIS QB 3.130 . 3.130 2.615 2.495 2.772 . 0 0 "[ . 1 . 2]" 1
553 1 52 HIS H 1 52 HIS HB3 3.880 . 3.880 3.775 3.693 3.869 . 0 0 "[ . 1 . 2]" 1
554 1 52 HIS H 1 52 HIS HB2 3.880 . 3.880 2.667 2.536 2.840 . 0 0 "[ . 1 . 2]" 1
555 1 52 HIS H 1 52 HIS HD2 3.600 . 3.600 3.200 2.801 3.613 0.013 6 0 "[ . 1 . 2]" 1
556 1 52 HIS H 1 53 ASP QB 4.210 . 4.210 4.059 3.684 4.377 0.167 12 0 "[ . 1 . 2]" 1
557 1 52 HIS H 1 53 ASP H 3.080 . 3.080 2.475 2.269 2.720 . 0 0 "[ . 1 . 2]" 1
558 1 53 ASP HA 1 54 PRO QD 3.530 . 3.530 1.946 1.865 2.125 . 0 0 "[ . 1 . 2]" 1
559 1 53 ASP H 1 53 ASP HB3 3.560 . 3.560 2.671 2.269 3.580 0.020 4 0 "[ . 1 . 2]" 1
560 1 53 ASP H 1 53 ASP HB2 3.560 . 3.560 2.408 1.972 2.692 . 0 0 "[ . 1 . 2]" 1
561 1 53 ASP H 1 65 THR HB 5.500 . 5.500 5.337 4.423 5.756 0.256 19 0 "[ . 1 . 2]" 1
562 1 53 ASP H 1 65 THR MG 5.500 . 5.500 5.000 3.941 5.623 0.123 3 0 "[ . 1 . 2]" 1
563 1 54 PRO HA 1 55 GLU H 3.000 . 3.000 2.752 2.502 2.898 . 0 0 "[ . 1 . 2]" 1
564 1 54 PRO HA 1 136 SER HA 5.000 . 5.000 4.313 3.785 4.600 . 0 0 "[ . 1 . 2]" 1
565 1 55 GLU HA 1 55 GLU QG 2.960 . 2.960 2.434 2.359 2.525 . 0 0 "[ . 1 . 2]" 1
566 1 55 GLU HA 1 56 ILE H 2.870 . 2.870 2.122 2.075 2.160 . 0 0 "[ . 1 . 2]" 1
567 1 55 GLU HA 1 57 TYR QE 4.880 . 4.880 4.814 4.343 4.940 0.060 3 0 "[ . 1 . 2]" 1
568 1 55 GLU HA 1 57 TYR H 5.500 . 5.500 5.514 5.390 5.559 0.059 9 0 "[ . 1 . 2]" 1
569 1 55 GLU HA 1 62 ILE MD 3.570 . 3.570 2.578 2.165 3.018 . 0 0 "[ . 1 . 2]" 1
570 1 55 GLU HA 1 63 GLN H 4.800 . 4.800 4.730 4.457 4.869 0.069 20 0 "[ . 1 . 2]" 1
571 1 55 GLU QB 1 56 ILE H 3.690 . 3.690 3.300 3.077 3.570 . 0 0 "[ . 1 . 2]" 1
572 1 55 GLU QB 1 57 TYR H 4.620 . 4.620 4.568 4.405 4.696 0.076 18 0 "[ . 1 . 2]" 1
573 1 55 GLU QB 1 62 ILE QG 4.320 . 4.320 2.350 2.138 2.567 . 0 0 "[ . 1 . 2]" 1
574 1 55 GLU QB 1 136 SER HA 4.650 . 4.650 3.072 2.552 3.538 . 0 0 "[ . 1 . 2]" 1
575 1 55 GLU QB 1 136 SER QB 4.170 . 4.170 2.368 2.051 2.939 . 0 0 "[ . 1 . 2]" 1
576 1 55 GLU QB 1 137 VAL H 4.380 . 4.380 3.901 3.586 4.095 . 0 0 "[ . 1 . 2]" 1
577 1 55 GLU HB3 1 57 TYR QE 3.590 . 3.590 2.721 2.012 3.075 . 0 0 "[ . 1 . 2]" 1
578 1 55 GLU HB3 1 62 ILE MD 4.600 . 4.600 2.469 2.217 2.863 . 0 0 "[ . 1 . 2]" 1
579 1 55 GLU HB2 1 57 TYR QE 3.590 . 3.590 2.460 2.296 2.728 . 0 0 "[ . 1 . 2]" 1
580 1 55 GLU HB2 1 62 ILE MD 4.600 . 4.600 3.893 3.717 4.180 . 0 0 "[ . 1 . 2]" 1
581 1 55 GLU QG 1 56 ILE H 4.140 . 4.140 4.167 4.038 4.240 0.100 1 0 "[ . 1 . 2]" 1
582 1 55 GLU QG 1 62 ILE MD 3.960 . 3.960 2.403 2.080 2.757 . 0 0 "[ . 1 . 2]" 1
583 1 55 GLU QG 1 62 ILE QG 4.700 . 4.700 3.199 2.795 3.757 . 0 0 "[ . 1 . 2]" 1
584 1 55 GLU HG3 1 57 TYR QE 4.730 . 4.730 4.594 4.240 4.773 0.043 16 0 "[ . 1 . 2]" 1
585 1 55 GLU HG2 1 57 TYR QE 4.730 . 4.730 4.276 3.106 4.777 0.047 17 0 "[ . 1 . 2]" 1
586 1 55 GLU H 1 55 GLU QB 3.090 . 3.090 2.389 2.341 2.471 . 0 0 "[ . 1 . 2]" 1
587 1 55 GLU H 1 55 GLU QG 3.520 . 3.520 2.746 2.245 3.523 0.003 7 0 "[ . 1 . 2]" 1
588 1 55 GLU H 1 56 ILE H 4.720 . 4.720 4.369 4.180 4.502 . 0 0 "[ . 1 . 2]" 1
589 1 55 GLU H 1 57 TYR QE 4.900 . 4.900 4.684 4.457 4.915 0.015 20 0 "[ . 1 . 2]" 1
590 1 55 GLU H 1 136 SER HA 3.680 . 3.680 2.277 1.915 2.563 . 0 0 "[ . 1 . 2]" 1
591 1 55 GLU H 1 136 SER QB 3.440 . 3.440 3.354 2.680 3.520 0.080 1 0 "[ . 1 . 2]" 1
592 1 55 GLU H 1 137 VAL H 4.100 . 4.100 4.010 3.743 4.160 0.060 13 0 "[ . 1 . 2]" 1
593 1 56 ILE HB 1 57 TYR H 4.650 . 4.650 4.317 4.277 4.355 . 0 0 "[ . 1 . 2]" 1
594 1 56 ILE MD 1 69 LEU H 3.800 . 3.800 4.031 3.985 4.147 0.347 16 0 "[ . 1 . 2]" 1
595 1 56 ILE QG 1 57 TYR H 4.860 . 4.860 4.294 4.168 4.389 . 0 0 "[ . 1 . 2]" 1
596 1 56 ILE QG 1 68 PHE QD 3.970 . 3.970 3.843 2.713 4.038 0.068 12 0 "[ . 1 . 2]" 1
597 1 56 ILE QG 1 139 PHE QE 4.490 . 4.490 3.484 2.696 3.952 . 0 0 "[ . 1 . 2]" 1
598 1 56 ILE MG 1 57 TYR H 3.000 . 3.000 3.039 2.971 3.081 0.081 16 0 "[ . 1 . 2]" 1
599 1 56 ILE MG 1 68 PHE HA 4.960 . 4.960 3.496 3.142 3.716 . 0 0 "[ . 1 . 2]" 1
600 1 56 ILE MG 1 68 PHE QB 4.480 . 4.480 2.117 1.962 2.354 . 0 0 "[ . 1 . 2]" 1
601 1 56 ILE MG 1 139 PHE H 4.270 . 4.270 4.050 3.818 4.244 . 0 0 "[ . 1 . 2]" 1
602 1 56 ILE H 1 56 ILE HB 3.330 . 3.330 2.484 2.413 2.567 . 0 0 "[ . 1 . 2]" 1
603 1 56 ILE H 1 56 ILE MD 3.540 . 3.540 3.414 2.278 3.634 0.094 16 0 "[ . 1 . 2]" 1
604 1 56 ILE H 1 56 ILE QG 3.640 . 3.640 2.605 2.246 3.354 . 0 0 "[ . 1 . 2]" 1
605 1 56 ILE H 1 57 TYR HA 4.900 . 4.900 4.745 4.583 4.920 0.020 1 0 "[ . 1 . 2]" 1
606 1 56 ILE H 1 57 TYR QD 4.890 . 4.890 4.814 4.308 5.078 0.188 16 0 "[ . 1 . 2]" 1
607 1 56 ILE H 1 57 TYR H 4.680 . 4.680 4.175 4.079 4.238 . 0 0 "[ . 1 . 2]" 1
608 1 56 ILE H 1 62 ILE MD 3.210 . 3.210 2.841 2.662 3.113 . 0 0 "[ . 1 . 2]" 1
609 1 56 ILE H 1 62 ILE QG 4.720 . 4.720 3.956 3.661 4.245 . 0 0 "[ . 1 . 2]" 1
610 1 56 ILE H 1 63 GLN H 3.600 . 3.600 3.231 2.986 3.311 . 0 0 "[ . 1 . 2]" 1
611 1 57 TYR HA 1 58 VAL H 3.000 . 3.000 2.092 2.005 2.163 . 0 0 "[ . 1 . 2]" 1
612 1 57 TYR HA 1 61 LYS H 4.140 . 4.140 4.103 3.713 4.199 0.059 4 0 "[ . 1 . 2]" 1
613 1 57 TYR HA 1 62 ILE HA 2.500 . 2.500 2.358 2.225 2.512 0.012 16 0 "[ . 1 . 2]" 1
614 1 57 TYR HA 1 62 ILE HB 5.050 . 5.050 4.648 4.473 4.827 . 0 0 "[ . 1 . 2]" 1
615 1 57 TYR HA 1 62 ILE QG 4.380 . 4.380 3.986 3.803 4.226 . 0 0 "[ . 1 . 2]" 1
616 1 57 TYR HA 1 63 GLN QB 5.180 . 5.180 4.258 3.871 4.739 . 0 0 "[ . 1 . 2]" 1
617 1 57 TYR HA 1 63 GLN QE 4.350 . 4.350 4.211 4.015 4.375 0.025 5 0 "[ . 1 . 2]" 1
618 1 57 TYR HA 1 63 GLN QG 4.780 . 4.780 3.152 2.866 3.526 . 0 0 "[ . 1 . 2]" 1
619 1 57 TYR HA 1 63 GLN H 3.570 . 3.570 2.933 2.678 3.330 . 0 0 "[ . 1 . 2]" 1
620 1 57 TYR HA 1 139 PHE H 4.710 . 4.710 4.729 4.697 4.760 0.050 20 0 "[ . 1 . 2]" 1
621 1 57 TYR QB 1 58 VAL H 3.680 . 3.680 3.151 2.926 3.446 . 0 0 "[ . 1 . 2]" 1
622 1 57 TYR QB 1 61 LYS H 4.000 . 4.000 3.767 3.508 4.005 0.005 5 0 "[ . 1 . 2]" 1
623 1 57 TYR QB 1 138 LYS HA 4.380 . 4.380 2.173 2.012 2.365 . 0 0 "[ . 1 . 2]" 1
624 1 57 TYR QB 1 138 LYS QG 4.440 . 4.440 2.124 1.957 2.262 . 0 0 "[ . 1 . 2]" 1
625 1 57 TYR QB 1 140 ILE MG 4.600 . 4.600 4.376 4.139 4.621 0.021 12 0 "[ . 1 . 2]" 1
626 1 57 TYR HB3 1 58 VAL H 4.350 . 4.350 3.260 3.001 3.620 . 0 0 "[ . 1 . 2]" 1
627 1 57 TYR HB3 1 139 PHE H 4.240 . 4.240 4.275 4.165 4.337 0.097 16 0 "[ . 1 . 2]" 1
628 1 57 TYR HB2 1 58 VAL H 4.350 . 4.350 4.194 4.047 4.362 0.012 7 0 "[ . 1 . 2]" 1
629 1 57 TYR HB2 1 139 PHE H 4.240 . 4.240 3.656 3.443 3.942 . 0 0 "[ . 1 . 2]" 1
630 1 57 TYR QD 1 58 VAL H 4.170 . 4.170 4.072 3.802 4.213 0.043 1 0 "[ . 1 . 2]" 1
631 1 57 TYR QD 1 60 GLY H 4.910 . 4.910 4.523 4.049 4.943 0.033 12 0 "[ . 1 . 2]" 1
632 1 57 TYR QD 1 61 LYS H 4.150 . 4.150 4.103 3.748 4.197 0.047 14 0 "[ . 1 . 2]" 1
633 1 57 TYR QD 1 62 ILE QG 3.570 . 3.570 3.426 3.194 3.598 0.028 12 0 "[ . 1 . 2]" 1
634 1 57 TYR QD 1 62 ILE H 4.140 . 4.140 3.623 3.220 4.143 0.003 20 0 "[ . 1 . 2]" 1
635 1 57 TYR QD 1 63 GLN H 4.640 . 4.640 4.532 4.248 4.716 0.076 18 0 "[ . 1 . 2]" 1
636 1 57 TYR QD 1 138 LYS H 5.500 . 5.500 4.978 4.653 5.526 0.026 1 0 "[ . 1 . 2]" 1
637 1 57 TYR QE 1 61 LYS HA 5.500 . 5.500 4.947 4.193 5.473 . 0 0 "[ . 1 . 2]" 1
638 1 57 TYR QE 1 62 ILE HB 3.460 . 3.460 2.545 2.220 3.092 . 0 0 "[ . 1 . 2]" 1
639 1 57 TYR QE 1 62 ILE MD 3.970 . 3.970 4.043 3.986 4.089 0.119 10 0 "[ . 1 . 2]" 1
640 1 57 TYR QE 1 62 ILE QG 4.550 . 4.550 2.757 2.426 2.960 . 0 0 "[ . 1 . 2]" 1
641 1 57 TYR QE 1 62 ILE MG 4.380 . 4.380 3.993 3.803 4.381 0.001 11 0 "[ . 1 . 2]" 1
642 1 57 TYR H 1 57 TYR HB3 3.770 . 3.770 3.635 3.607 3.667 . 0 0 "[ . 1 . 2]" 1
643 1 57 TYR H 1 57 TYR HB2 3.770 . 3.770 2.411 2.350 2.468 . 0 0 "[ . 1 . 2]" 1
644 1 57 TYR H 1 57 TYR QD 3.210 . 3.210 2.583 2.310 3.072 . 0 0 "[ . 1 . 2]" 1
645 1 57 TYR H 1 57 TYR QE 4.800 . 4.800 4.675 4.494 4.841 0.041 16 0 "[ . 1 . 2]" 1
646 1 57 TYR H 1 58 VAL H 4.840 . 4.840 4.367 4.187 4.506 . 0 0 "[ . 1 . 2]" 1
647 1 57 TYR H 1 62 ILE HA 4.830 . 4.830 4.674 4.506 4.826 . 0 0 "[ . 1 . 2]" 1
648 1 57 TYR H 1 63 GLN H 5.090 . 5.090 4.533 4.355 4.628 . 0 0 "[ . 1 . 2]" 1
649 1 57 TYR H 1 137 VAL QG 4.970 . 4.970 3.561 3.202 4.334 . 0 0 "[ . 1 . 2]" 1
650 1 57 TYR H 1 138 LYS HA 3.700 . 3.700 2.437 2.348 2.524 . 0 0 "[ . 1 . 2]" 1
651 1 57 TYR H 1 138 LYS QB 4.080 . 4.080 3.846 3.557 4.080 0.000 12 0 "[ . 1 . 2]" 1
652 1 57 TYR H 1 138 LYS QG 4.120 . 4.120 4.153 4.019 4.203 0.083 14 0 "[ . 1 . 2]" 1
653 1 57 TYR H 1 139 PHE QD 4.930 . 4.930 4.565 4.374 4.889 . 0 0 "[ . 1 . 2]" 1
654 1 57 TYR H 1 139 PHE H 3.830 . 3.830 3.813 3.635 3.896 0.066 9 0 "[ . 1 . 2]" 1
655 1 58 VAL HA 1 59 ASN H 3.430 . 3.430 2.005 1.969 2.033 . 0 0 "[ . 1 . 2]" 1
656 1 58 VAL HA 1 139 PHE H 3.880 . 3.880 2.627 2.524 2.766 . 0 0 "[ . 1 . 2]" 1
657 1 58 VAL HA 1 140 ILE H 5.500 . 5.500 5.136 5.002 5.275 . 0 0 "[ . 1 . 2]" 1
658 1 58 VAL HB 1 59 ASN QD 4.920 . 4.920 4.907 4.010 5.020 0.100 10 0 "[ . 1 . 2]" 1
659 1 58 VAL HB 1 59 ASN H 4.550 . 4.550 4.296 4.162 4.382 . 0 0 "[ . 1 . 2]" 1
660 1 58 VAL HB 1 63 GLN QE 3.780 . 3.780 2.754 2.293 3.830 0.050 2 0 "[ . 1 . 2]" 1
661 1 58 VAL HB 1 63 GLN H 5.230 . 5.230 5.204 5.017 5.336 0.106 10 0 "[ . 1 . 2]" 1
662 1 58 VAL HB 1 139 PHE QD 4.730 . 4.730 4.536 3.556 4.827 0.097 16 0 "[ . 1 . 2]" 1
663 1 58 VAL HB 1 139 PHE H 5.110 . 5.110 5.038 4.304 5.252 0.142 11 0 "[ . 1 . 2]" 1
664 1 58 VAL QG 1 59 ASN QB 4.320 . 4.320 2.919 2.802 3.191 . 0 0 "[ . 1 . 2]" 1
665 1 58 VAL QG 1 59 ASN QD 3.620 . 3.620 2.572 1.790 2.738 0.010 13 0 "[ . 1 . 2]" 1
666 1 58 VAL QG 1 59 ASN HD21 4.160 . 4.160 2.821 1.809 3.105 . 0 0 "[ . 1 . 2]" 1
667 1 58 VAL QG 1 59 ASN HD22 4.160 . 4.160 3.010 2.661 3.327 . 0 0 "[ . 1 . 2]" 1
668 1 58 VAL QG 1 59 ASN H 3.330 . 3.330 2.828 2.680 2.918 . 0 0 "[ . 1 . 2]" 1
669 1 58 VAL QG 1 60 GLY H 4.640 . 4.640 4.175 4.028 4.309 . 0 0 "[ . 1 . 2]" 1
670 1 58 VAL QG 1 61 LYS H 4.180 . 4.180 3.975 3.439 4.190 0.010 3 0 "[ . 1 . 2]" 1
671 1 58 VAL QG 1 63 GLN QE 3.650 . 3.650 2.871 1.789 3.281 0.011 4 0 "[ . 1 . 2]" 1
672 1 58 VAL QG 1 63 GLN HE21 4.180 . 4.180 2.972 1.805 3.419 . 0 0 "[ . 1 . 2]" 1
673 1 58 VAL QG 1 63 GLN HE22 4.180 . 4.180 3.874 2.810 4.238 0.058 9 0 "[ . 1 . 2]" 1
674 1 58 VAL QG 1 63 GLN QG 4.300 . 4.300 2.193 2.007 2.325 . 0 0 "[ . 1 . 2]" 1
675 1 58 VAL QG 1 63 GLN H 5.440 . 5.440 4.470 4.260 4.663 . 0 0 "[ . 1 . 2]" 1
676 1 58 VAL QG 1 71 PHE QE 3.580 . 3.580 3.181 2.765 3.568 . 0 0 "[ . 1 . 2]" 1
677 1 58 VAL QG 1 77 PHE QE 4.800 . 4.800 2.472 2.041 2.977 . 0 0 "[ . 1 . 2]" 1
678 1 58 VAL QG 1 77 PHE HZ 4.800 . 4.800 2.172 1.820 2.722 . 0 0 "[ . 1 . 2]" 1
679 1 58 VAL QG 1 139 PHE QB 4.640 . 4.640 1.949 1.831 2.178 . 0 0 "[ . 1 . 2]" 1
680 1 58 VAL QG 1 139 PHE QD 3.640 . 3.640 2.382 1.943 3.593 . 0 0 "[ . 1 . 2]" 1
681 1 58 VAL QG 1 139 PHE H 4.510 . 4.510 3.309 3.089 3.828 . 0 0 "[ . 1 . 2]" 1
682 1 58 VAL QG 1 140 ILE H 5.010 . 5.010 4.818 4.558 4.982 . 0 0 "[ . 1 . 2]" 1
683 1 58 VAL QG 1 141 MET H 4.420 . 4.420 3.778 3.489 3.958 . 0 0 "[ . 1 . 2]" 1
684 1 58 VAL MG1 1 59 ASN HB3 6.720 . 6.720 4.358 4.178 4.594 . 0 0 "[ . 1 . 2]" 1
685 1 58 VAL MG1 1 59 ASN HB2 6.720 . 6.720 3.024 2.862 3.335 . 0 0 "[ . 1 . 2]" 1
686 1 58 VAL MG1 1 59 ASN H 3.820 . 3.820 3.152 2.734 3.841 0.021 4 0 "[ . 1 . 2]" 1
687 1 58 VAL MG1 1 61 LYS H 5.270 . 5.270 4.187 3.512 4.463 . 0 0 "[ . 1 . 2]" 1
688 1 58 VAL MG1 1 63 GLN HE21 6.370 . 6.370 3.244 1.806 3.799 . 0 0 "[ . 1 . 2]" 1
689 1 58 VAL MG1 1 63 GLN HE22 6.370 . 6.370 4.125 2.819 4.645 . 0 0 "[ . 1 . 2]" 1
690 1 58 VAL MG1 1 71 PHE QE 4.590 . 4.590 3.697 2.798 4.419 . 0 0 "[ . 1 . 2]" 1
691 1 58 VAL MG1 1 141 MET H 5.500 . 5.500 4.331 3.762 5.580 0.080 2 0 "[ . 1 . 2]" 1
692 1 58 VAL MG2 1 59 ASN HB3 6.720 . 6.720 6.061 4.521 6.653 . 0 0 "[ . 1 . 2]" 1
693 1 58 VAL MG2 1 59 ASN HB2 6.720 . 6.720 4.965 3.594 5.532 . 0 0 "[ . 1 . 2]" 1
694 1 58 VAL MG2 1 59 ASN H 3.820 . 3.820 3.613 2.794 3.915 0.095 16 0 "[ . 1 . 2]" 1
695 1 58 VAL MG2 1 61 LYS H 5.270 . 5.270 5.028 4.756 5.144 . 0 0 "[ . 1 . 2]" 1
696 1 58 VAL MG2 1 63 GLN HE21 6.370 . 6.370 4.042 3.564 4.686 . 0 0 "[ . 1 . 2]" 1
697 1 58 VAL MG2 1 63 GLN HE22 6.370 . 6.370 5.126 4.778 5.694 . 0 0 "[ . 1 . 2]" 1
698 1 58 VAL MG2 1 71 PHE QE 4.590 . 4.590 3.719 2.971 4.604 0.014 10 0 "[ . 1 . 2]" 1
699 1 58 VAL MG2 1 141 MET H 5.500 . 5.500 5.042 3.528 5.558 0.058 18 0 "[ . 1 . 2]" 1
700 1 58 VAL H 1 58 VAL HB 3.540 . 3.540 2.707 2.462 3.082 . 0 0 "[ . 1 . 2]" 1
701 1 58 VAL H 1 58 VAL QG 3.190 . 3.190 2.795 2.539 2.999 . 0 0 "[ . 1 . 2]" 1
702 1 58 VAL H 1 58 VAL MG1 3.970 . 3.970 3.522 2.569 3.867 . 0 0 "[ . 1 . 2]" 1
703 1 58 VAL H 1 58 VAL MG2 3.970 . 3.970 3.224 2.678 4.000 0.030 17 0 "[ . 1 . 2]" 1
704 1 58 VAL H 1 59 ASN H 4.540 . 4.540 4.086 3.977 4.195 . 0 0 "[ . 1 . 2]" 1
705 1 58 VAL H 1 61 LYS HA 4.450 . 4.450 4.529 4.493 4.600 0.150 12 0 "[ . 1 . 2]" 1
706 1 58 VAL H 1 61 LYS H 3.400 . 3.400 2.802 2.698 3.077 . 0 0 "[ . 1 . 2]" 1
707 1 58 VAL H 1 62 ILE HA 3.940 . 3.940 3.655 3.529 3.791 . 0 0 "[ . 1 . 2]" 1
708 1 58 VAL H 1 62 ILE H 5.190 . 5.190 4.773 4.734 4.821 . 0 0 "[ . 1 . 2]" 1
709 1 58 VAL H 1 63 GLN QE 3.690 . 3.690 2.842 2.744 2.957 . 0 0 "[ . 1 . 2]" 1
710 1 58 VAL H 1 63 GLN QG 3.360 . 3.360 2.521 2.287 2.682 . 0 0 "[ . 1 . 2]" 1
711 1 58 VAL H 1 63 GLN HG3 3.980 . 3.980 3.717 3.475 3.909 . 0 0 "[ . 1 . 2]" 1
712 1 58 VAL H 1 63 GLN HG2 3.980 . 3.980 2.565 2.319 2.733 . 0 0 "[ . 1 . 2]" 1
713 1 59 ASN HA 1 59 ASN QD 4.100 . 4.100 3.928 2.094 4.075 . 0 0 "[ . 1 . 2]" 1
714 1 59 ASN HA 1 59 ASN HD21 4.660 . 4.660 4.293 2.105 4.476 . 0 0 "[ . 1 . 2]" 1
715 1 59 ASN HA 1 59 ASN HD22 4.660 . 4.660 4.605 3.740 4.697 0.037 14 0 "[ . 1 . 2]" 1
716 1 59 ASN HA 1 61 LYS H 4.590 . 4.590 4.465 4.295 4.623 0.033 2 0 "[ . 1 . 2]" 1
717 1 59 ASN QB 1 60 GLY H 4.490 . 4.490 3.705 3.670 3.764 . 0 0 "[ . 1 . 2]" 1
718 1 59 ASN QB 1 61 LYS QB 4.120 . 4.120 3.813 3.178 4.092 . 0 0 "[ . 1 . 2]" 1
719 1 59 ASN QB 1 61 LYS H 4.100 . 4.100 3.514 3.271 3.729 . 0 0 "[ . 1 . 2]" 1
720 1 59 ASN QD 1 141 MET QB 4.380 . 4.380 3.540 2.573 4.412 0.032 16 0 "[ . 1 . 2]" 1
721 1 59 ASN QD 1 141 MET H 4.390 . 4.390 3.602 2.784 4.019 . 0 0 "[ . 1 . 2]" 1
722 1 59 ASN H 1 140 ILE HA 4.000 . 4.000 2.626 2.368 3.018 . 0 0 "[ . 1 . 2]" 1
723 1 59 ASN H 1 141 MET H 4.000 . 4.000 3.787 3.558 4.048 0.048 16 0 "[ . 1 . 2]" 1
724 1 60 GLY H 1 61 LYS H 3.580 . 3.580 2.414 2.353 2.497 . 0 0 "[ . 1 . 2]" 1
725 1 60 GLY H 1 140 ILE MG 4.220 . 4.220 3.217 2.759 3.566 . 0 0 "[ . 1 . 2]" 1
726 1 61 LYS HA 1 61 LYS QD 3.130 . 3.130 2.056 1.973 2.190 . 0 0 "[ . 1 . 2]" 1
727 1 61 LYS HA 1 61 LYS QE 4.470 . 4.470 3.601 2.680 4.196 . 0 0 "[ . 1 . 2]" 1
728 1 61 LYS HA 1 61 LYS QG 3.330 . 3.330 2.970 2.800 3.096 . 0 0 "[ . 1 . 2]" 1
729 1 61 LYS HA 1 62 ILE MG 4.770 . 4.770 4.117 4.013 4.280 . 0 0 "[ . 1 . 2]" 1
730 1 61 LYS HA 1 62 ILE H 2.840 . 2.840 2.118 2.061 2.165 . 0 0 "[ . 1 . 2]" 1
731 1 61 LYS HA 1 63 GLN QE 4.350 . 4.350 4.107 3.972 4.263 . 0 0 "[ . 1 . 2]" 1
732 1 61 LYS HA 1 63 GLN HE21 5.110 . 5.110 4.410 4.275 4.618 . 0 0 "[ . 1 . 2]" 1
733 1 61 LYS HA 1 63 GLN HE22 5.110 . 5.110 4.902 4.650 5.115 0.005 3 0 "[ . 1 . 2]" 1
734 1 61 LYS QB 1 62 ILE H 3.600 . 3.600 3.011 2.850 3.170 . 0 0 "[ . 1 . 2]" 1
735 1 61 LYS QB 1 63 GLN QE 2.880 . 2.880 1.968 1.855 2.142 . 0 0 "[ . 1 . 2]" 1
736 1 61 LYS HB3 1 63 GLN HE21 3.730 . 3.730 2.994 2.733 3.176 . 0 0 "[ . 1 . 2]" 1
737 1 61 LYS HB3 1 63 GLN HE22 3.730 . 3.730 2.719 2.426 3.028 . 0 0 "[ . 1 . 2]" 1
738 1 61 LYS HB2 1 63 GLN HE21 3.730 . 3.730 2.170 1.978 2.443 . 0 0 "[ . 1 . 2]" 1
739 1 61 LYS HB2 1 63 GLN HE22 3.730 . 3.730 2.604 2.472 2.827 . 0 0 "[ . 1 . 2]" 1
740 1 61 LYS QD 1 62 ILE H 3.740 . 3.740 3.621 3.292 3.780 0.040 19 0 "[ . 1 . 2]" 1
741 1 61 LYS QG 1 63 GLN QE 4.190 . 4.190 3.430 3.267 3.592 . 0 0 "[ . 1 . 2]" 1
742 1 61 LYS H 1 61 LYS QB 2.880 . 2.880 2.454 2.366 2.537 . 0 0 "[ . 1 . 2]" 1
743 1 61 LYS H 1 61 LYS QE 5.280 . 5.280 4.727 4.369 5.079 . 0 0 "[ . 1 . 2]" 1
744 1 61 LYS H 1 61 LYS QG 3.130 . 3.130 2.752 2.479 3.145 0.015 3 0 "[ . 1 . 2]" 1
745 1 61 LYS H 1 62 ILE HA 4.890 . 4.890 4.887 4.764 4.937 0.047 11 0 "[ . 1 . 2]" 1
746 1 61 LYS H 1 62 ILE H 4.340 . 4.340 4.368 4.342 4.388 0.048 2 0 "[ . 1 . 2]" 1
747 1 61 LYS H 1 63 GLN QE 4.100 . 4.100 3.575 3.464 3.645 . 0 0 "[ . 1 . 2]" 1
748 1 61 LYS H 1 63 GLN HE21 4.830 . 4.830 3.681 3.551 3.762 . 0 0 "[ . 1 . 2]" 1
749 1 61 LYS H 1 63 GLN HE22 4.830 . 4.830 4.856 4.803 4.899 0.069 4 0 "[ . 1 . 2]" 1
750 1 61 LYS H 1 140 ILE MG 5.500 . 5.500 5.168 4.720 5.480 . 0 0 "[ . 1 . 2]" 1
751 1 62 ILE HA 1 62 ILE MD 3.310 . 3.310 2.764 2.607 2.891 . 0 0 "[ . 1 . 2]" 1
752 1 62 ILE HA 1 62 ILE QG 3.330 . 3.330 2.410 2.361 2.456 . 0 0 "[ . 1 . 2]" 1
753 1 62 ILE HA 1 62 ILE MG 3.200 . 3.200 3.224 3.216 3.233 0.033 20 0 "[ . 1 . 2]" 1
754 1 62 ILE HA 1 63 GLN HA 4.450 . 4.450 4.404 4.361 4.448 . 0 0 "[ . 1 . 2]" 1
755 1 62 ILE HA 1 63 GLN QG 4.260 . 4.260 3.533 3.413 3.620 . 0 0 "[ . 1 . 2]" 1
756 1 62 ILE HA 1 63 GLN H 2.940 . 2.940 2.100 2.040 2.166 . 0 0 "[ . 1 . 2]" 1
757 1 62 ILE HB 1 62 ILE MD 3.330 . 3.330 3.257 3.246 3.265 . 0 0 "[ . 1 . 2]" 1
758 1 62 ILE MD 1 63 GLN HA 4.780 . 4.780 3.429 3.283 3.581 . 0 0 "[ . 1 . 2]" 1
759 1 62 ILE MD 1 63 GLN H 3.240 . 3.240 2.207 2.023 2.357 . 0 0 "[ . 1 . 2]" 1
760 1 62 ILE MD 1 64 THR H 4.500 . 4.500 3.943 3.761 4.174 . 0 0 "[ . 1 . 2]" 1
761 1 62 ILE QG 1 63 GLN H 3.330 . 3.330 3.324 3.232 3.365 0.035 15 0 "[ . 1 . 2]" 1
762 1 62 ILE MG 1 63 GLN HA 3.980 . 3.980 3.872 3.785 3.957 . 0 0 "[ . 1 . 2]" 1
763 1 62 ILE MG 1 63 GLN H 3.780 . 3.780 3.799 3.673 3.856 0.076 6 0 "[ . 1 . 2]" 1
764 1 62 ILE MG 1 64 THR H 5.030 . 5.030 4.972 4.751 5.071 0.041 18 0 "[ . 1 . 2]" 1
765 1 62 ILE H 1 62 ILE HB 3.020 . 3.020 2.401 2.332 2.469 . 0 0 "[ . 1 . 2]" 1
766 1 62 ILE H 1 62 ILE MD 4.320 . 4.320 4.348 4.334 4.359 0.039 19 0 "[ . 1 . 2]" 1
767 1 62 ILE H 1 62 ILE QG 4.250 . 4.250 4.004 3.953 4.048 . 0 0 "[ . 1 . 2]" 1
768 1 62 ILE H 1 62 ILE MG 2.960 . 2.960 2.327 2.245 2.480 . 0 0 "[ . 1 . 2]" 1
769 1 62 ILE H 1 63 GLN H 4.790 . 4.790 4.457 4.353 4.516 . 0 0 "[ . 1 . 2]" 1
770 1 63 GLN HA 1 63 GLN QE 5.340 . 5.340 3.933 3.809 4.031 . 0 0 "[ . 1 . 2]" 1
771 1 63 GLN HA 1 64 THR H 2.770 . 2.770 2.224 2.140 2.286 . 0 0 "[ . 1 . 2]" 1
772 1 63 GLN HA 1 67 ALA MB 4.350 . 4.350 3.033 2.769 3.273 . 0 0 "[ . 1 . 2]" 1
773 1 63 GLN HA 1 68 PHE H 5.500 . 5.500 5.222 4.958 5.477 . 0 0 "[ . 1 . 2]" 1
774 1 63 GLN QB 1 64 THR H 3.410 . 3.410 2.858 2.626 3.024 . 0 0 "[ . 1 . 2]" 1
775 1 63 GLN QB 1 67 ALA MB 4.190 . 4.190 1.913 1.824 2.071 . 0 0 "[ . 1 . 2]" 1
776 1 63 GLN QB 1 68 PHE H 3.960 . 3.960 3.154 2.968 3.358 . 0 0 "[ . 1 . 2]" 1
777 1 63 GLN QE 1 71 PHE QE 4.150 . 4.150 3.692 3.348 3.985 . 0 0 "[ . 1 . 2]" 1
778 1 63 GLN HE21 1 71 PHE QE 4.970 . 4.970 4.162 3.819 4.561 . 0 0 "[ . 1 . 2]" 1
779 1 63 GLN HE22 1 71 PHE QE 4.970 . 4.970 4.132 3.704 4.455 . 0 0 "[ . 1 . 2]" 1
780 1 63 GLN QE 1 63 GLN QG 3.090 . 3.090 2.071 2.031 2.103 . 0 0 "[ . 1 . 2]" 1
781 1 63 GLN QG 1 64 THR H 5.230 . 5.230 4.632 4.460 4.731 . 0 0 "[ . 1 . 2]" 1
782 1 63 GLN QG 1 71 PHE QE 4.760 . 4.760 2.337 2.074 2.720 . 0 0 "[ . 1 . 2]" 1
783 1 63 GLN H 1 63 GLN QB 3.150 . 3.150 2.628 2.559 2.703 . 0 0 "[ . 1 . 2]" 1
784 1 63 GLN H 1 63 GLN HB3 4.000 . 4.000 3.731 3.687 3.776 . 0 0 "[ . 1 . 2]" 1
785 1 63 GLN H 1 63 GLN HB2 4.000 . 4.000 2.686 2.609 2.768 . 0 0 "[ . 1 . 2]" 1
786 1 63 GLN H 1 63 GLN QE 4.700 . 4.700 4.162 3.958 4.282 . 0 0 "[ . 1 . 2]" 1
787 1 63 GLN H 1 63 GLN QG 3.400 . 3.400 2.606 2.473 2.678 . 0 0 "[ . 1 . 2]" 1
788 1 63 GLN H 1 63 GLN HG3 4.060 . 4.060 4.021 3.925 4.080 0.020 11 0 "[ . 1 . 2]" 1
789 1 63 GLN H 1 63 GLN HG2 4.060 . 4.060 2.640 2.499 2.716 . 0 0 "[ . 1 . 2]" 1
790 1 63 GLN H 1 64 THR H 4.510 . 4.510 4.316 4.264 4.364 . 0 0 "[ . 1 . 2]" 1
791 1 64 THR HA 1 64 THR MG 3.300 . 3.300 3.233 3.216 3.241 . 0 0 "[ . 1 . 2]" 1
792 1 64 THR HA 1 66 THR H 4.420 . 4.420 4.440 4.322 4.489 0.069 16 0 "[ . 1 . 2]" 1
793 1 64 THR MG 1 67 ALA H 3.880 . 3.880 2.022 1.767 2.425 0.033 7 0 "[ . 1 . 2]" 1
794 1 64 THR H 1 64 THR MG 2.860 . 2.860 2.002 1.877 2.133 . 0 0 "[ . 1 . 2]" 1
795 1 64 THR H 1 66 THR HB 5.410 . 5.410 5.006 4.602 5.439 0.029 20 0 "[ . 1 . 2]" 1
796 1 64 THR H 1 67 ALA HA 5.240 . 5.240 5.188 5.045 5.279 0.039 17 0 "[ . 1 . 2]" 1
797 1 64 THR H 1 67 ALA MB 2.840 . 2.840 2.432 2.264 2.552 . 0 0 "[ . 1 . 2]" 1
798 1 64 THR H 1 67 ALA H 4.160 . 4.160 3.491 3.284 3.687 . 0 0 "[ . 1 . 2]" 1
799 1 64 THR H 1 68 PHE H 4.390 . 4.390 4.219 3.956 4.395 0.005 12 0 "[ . 1 . 2]" 1
800 1 65 THR HA 1 65 THR MG 3.340 . 3.340 2.999 2.205 3.263 . 0 0 "[ . 1 . 2]" 1
801 1 65 THR HA 1 67 ALA H 4.920 . 4.920 4.530 4.216 4.725 . 0 0 "[ . 1 . 2]" 1
802 1 65 THR HA 1 68 PHE H 4.410 . 4.410 3.594 3.391 3.820 . 0 0 "[ . 1 . 2]" 1
803 1 65 THR MG 1 66 THR H 3.550 . 3.550 2.603 2.086 3.680 0.130 19 0 "[ . 1 . 2]" 1
804 1 65 THR H 1 65 THR MG 3.760 . 3.760 2.049 1.790 2.250 0.010 20 0 "[ . 1 . 2]" 1
805 1 65 THR H 1 66 THR H 4.310 . 4.310 2.756 2.432 3.007 . 0 0 "[ . 1 . 2]" 1
806 1 66 THR HA 1 66 THR MG 2.870 . 2.870 2.342 2.272 2.418 . 0 0 "[ . 1 . 2]" 1
807 1 66 THR HB 1 67 ALA H 3.220 . 3.220 2.411 2.202 2.687 . 0 0 "[ . 1 . 2]" 1
808 1 66 THR MG 1 67 ALA HA 4.140 . 4.140 3.658 3.485 3.764 . 0 0 "[ . 1 . 2]" 1
809 1 66 THR MG 1 67 ALA MB 4.350 . 4.350 4.175 4.083 4.241 . 0 0 "[ . 1 . 2]" 1
810 1 66 THR MG 1 67 ALA H 3.440 . 3.440 3.468 3.423 3.511 0.071 12 0 "[ . 1 . 2]" 1
811 1 66 THR MG 1 70 GLN QE 3.950 . 3.950 2.707 1.949 4.029 0.079 8 0 "[ . 1 . 2]" 1
812 1 66 THR MG 1 70 GLN HE21 4.750 . 4.750 2.848 1.991 4.393 . 0 0 "[ . 1 . 2]" 1
813 1 66 THR MG 1 70 GLN HE22 4.750 . 4.750 3.493 2.695 4.776 0.026 16 0 "[ . 1 . 2]" 1
814 1 66 THR MG 1 70 GLN QG 4.480 . 4.480 2.836 2.336 3.213 . 0 0 "[ . 1 . 2]" 1
815 1 66 THR MG 1 70 GLN H 4.690 . 4.690 4.221 3.886 4.528 . 0 0 "[ . 1 . 2]" 1
816 1 66 THR H 1 66 THR HB 3.140 . 3.140 2.578 2.464 2.660 . 0 0 "[ . 1 . 2]" 1
817 1 66 THR H 1 66 THR MG 3.820 . 3.820 3.717 3.644 3.811 . 0 0 "[ . 1 . 2]" 1
818 1 66 THR H 1 67 ALA MB 4.500 . 4.500 4.340 4.269 4.445 . 0 0 "[ . 1 . 2]" 1
819 1 66 THR H 1 67 ALA H 3.610 . 3.610 2.726 2.642 2.828 . 0 0 "[ . 1 . 2]" 1
820 1 66 THR H 1 68 PHE H 4.620 . 4.620 4.219 4.128 4.355 . 0 0 "[ . 1 . 2]" 1
821 1 67 ALA HA 1 70 GLN QB 3.520 . 3.520 2.468 2.388 2.553 . 0 0 "[ . 1 . 2]" 1
822 1 67 ALA HA 1 70 GLN HB3 4.330 . 4.330 4.033 3.936 4.105 . 0 0 "[ . 1 . 2]" 1
823 1 67 ALA HA 1 70 GLN HB2 4.330 . 4.330 2.490 2.409 2.578 . 0 0 "[ . 1 . 2]" 1
824 1 67 ALA HA 1 70 GLN QG 4.320 . 4.320 3.176 2.678 3.552 . 0 0 "[ . 1 . 2]" 1
825 1 67 ALA MB 1 68 PHE H 2.830 . 2.830 2.360 2.284 2.440 . 0 0 "[ . 1 . 2]" 1
826 1 67 ALA MB 1 71 PHE QD 4.340 . 4.340 3.641 3.455 3.791 . 0 0 "[ . 1 . 2]" 1
827 1 67 ALA MB 1 71 PHE QE 3.650 . 3.650 2.473 2.325 2.640 . 0 0 "[ . 1 . 2]" 1
828 1 67 ALA H 1 67 ALA MB 2.690 . 2.690 2.209 2.181 2.256 . 0 0 "[ . 1 . 2]" 1
829 1 67 ALA H 1 68 PHE QB 4.710 . 4.710 4.299 4.171 4.447 . 0 0 "[ . 1 . 2]" 1
830 1 67 ALA H 1 68 PHE H 3.240 . 3.240 2.705 2.589 2.805 . 0 0 "[ . 1 . 2]" 1
831 1 67 ALA H 1 70 GLN QB 4.770 . 4.770 4.815 4.793 4.841 0.071 15 0 "[ . 1 . 2]" 1
832 1 68 PHE HA 1 68 PHE QD 3.790 . 3.790 2.943 2.796 3.087 . 0 0 "[ . 1 . 2]" 1
833 1 68 PHE HA 1 69 LEU HA 4.940 . 4.940 4.837 4.781 4.898 . 0 0 "[ . 1 . 2]" 1
834 1 68 PHE HA 1 70 GLN H 4.720 . 4.720 4.471 4.390 4.580 . 0 0 "[ . 1 . 2]" 1
835 1 68 PHE HA 1 71 PHE QD 3.610 . 3.610 2.265 2.159 2.395 . 0 0 "[ . 1 . 2]" 1
836 1 68 PHE HA 1 71 PHE QE 4.320 . 4.320 4.025 3.879 4.191 . 0 0 "[ . 1 . 2]" 1
837 1 68 PHE HA 1 71 PHE H 3.600 . 3.600 3.477 3.399 3.571 . 0 0 "[ . 1 . 2]" 1
838 1 68 PHE HA 1 72 PHE H 4.800 . 4.800 4.009 3.881 4.169 . 0 0 "[ . 1 . 2]" 1
839 1 68 PHE QB 1 69 LEU H 2.960 . 2.960 2.161 2.060 2.230 . 0 0 "[ . 1 . 2]" 1
840 1 68 PHE QD 1 69 LEU HA 4.000 . 4.000 3.046 2.701 3.384 . 0 0 "[ . 1 . 2]" 1
841 1 68 PHE QE 1 69 LEU HA 4.670 . 4.670 4.034 3.864 4.201 . 0 0 "[ . 1 . 2]" 1
842 1 68 PHE QE 1 69 LEU H 4.800 . 4.800 4.796 4.663 4.850 0.050 5 0 "[ . 1 . 2]" 1
843 1 68 PHE H 1 68 PHE HB3 3.010 . 3.010 2.388 2.338 2.454 . 0 0 "[ . 1 . 2]" 1
844 1 68 PHE H 1 68 PHE HB2 3.010 . 3.010 2.619 2.563 2.697 . 0 0 "[ . 1 . 2]" 1
845 1 68 PHE H 1 71 PHE QD 4.360 . 4.360 4.147 4.048 4.361 0.001 14 0 "[ . 1 . 2]" 1
846 1 68 PHE H 1 71 PHE QE 4.500 . 4.500 4.521 4.509 4.528 0.028 1 0 "[ . 1 . 2]" 1
847 1 69 LEU HA 1 69 LEU QD 3.360 . 3.360 2.080 1.894 2.181 . 0 0 "[ . 1 . 2]" 1
848 1 69 LEU HA 1 70 GLN H 3.630 . 3.630 3.538 3.480 3.568 . 0 0 "[ . 1 . 2]" 1
849 1 69 LEU HA 1 71 PHE H 4.490 . 4.490 4.542 4.516 4.559 0.069 2 0 "[ . 1 . 2]" 1
850 1 69 LEU HA 1 72 PHE QB 4.350 . 4.350 2.196 2.115 2.292 . 0 0 "[ . 1 . 2]" 1
851 1 69 LEU HA 1 72 PHE QD 3.890 . 3.890 2.899 2.557 3.228 . 0 0 "[ . 1 . 2]" 1
852 1 69 LEU HA 1 72 PHE H 3.490 . 3.490 3.516 3.466 3.560 0.070 20 0 "[ . 1 . 2]" 1
853 1 69 LEU HA 1 73 ARG H 4.140 . 4.140 3.963 3.714 4.083 . 0 0 "[ . 1 . 2]" 1
854 1 69 LEU QB 1 70 GLN HA 4.630 . 4.630 4.158 3.768 4.268 . 0 0 "[ . 1 . 2]" 1
855 1 69 LEU QD 1 70 GLN QG 5.080 . 5.080 3.500 3.146 4.497 . 0 0 "[ . 1 . 2]" 1
856 1 69 LEU QD 1 70 GLN H 3.790 . 3.790 3.441 3.180 3.975 0.185 4 0 "[ . 1 . 2]" 1
857 1 69 LEU QD 1 72 PHE QD 3.830 . 3.830 2.069 1.929 2.213 . 0 0 "[ . 1 . 2]" 1
858 1 69 LEU QD 1 72 PHE QE 4.530 . 4.530 2.888 2.695 3.072 . 0 0 "[ . 1 . 2]" 1
859 1 69 LEU QD 1 72 PHE H 4.610 . 4.610 4.360 4.201 4.639 0.029 3 0 "[ . 1 . 2]" 1
860 1 69 LEU QD 1 72 PHE HZ 4.690 . 4.690 4.524 4.248 4.700 0.010 9 0 "[ . 1 . 2]" 1
861 1 69 LEU QD 1 73 ARG QB 3.380 . 3.380 2.947 2.581 3.489 0.109 4 0 "[ . 1 . 2]" 1
862 1 69 LEU QD 1 73 ARG QD 4.460 . 4.460 2.405 1.984 3.190 . 0 0 "[ . 1 . 2]" 1
863 1 69 LEU QD 1 73 ARG QG 4.800 . 4.800 3.251 2.621 4.241 . 0 0 "[ . 1 . 2]" 1
864 1 69 LEU QD 1 73 ARG H 4.140 . 4.140 3.485 3.243 4.104 . 0 0 "[ . 1 . 2]" 1
865 1 69 LEU MD1 1 70 GLN H 4.550 . 4.550 3.633 3.253 4.485 . 0 0 "[ . 1 . 2]" 1
866 1 69 LEU MD2 1 70 GLN H 4.550 . 4.550 4.501 4.141 4.604 0.054 5 0 "[ . 1 . 2]" 1
867 1 69 LEU HG 1 70 GLN H 5.110 . 5.110 4.711 3.596 5.003 . 0 0 "[ . 1 . 2]" 1
868 1 69 LEU H 1 69 LEU HA 2.910 . 2.910 2.768 2.745 2.786 . 0 0 "[ . 1 . 2]" 1
869 1 69 LEU H 1 69 LEU QB 2.790 . 2.790 2.230 2.188 2.303 . 0 0 "[ . 1 . 2]" 1
870 1 69 LEU H 1 69 LEU QD 4.220 . 4.220 3.682 3.342 3.766 . 0 0 "[ . 1 . 2]" 1
871 1 69 LEU H 1 69 LEU HG 4.570 . 4.570 4.490 2.818 4.610 0.040 16 0 "[ . 1 . 2]" 1
872 1 69 LEU H 1 70 GLN H 3.270 . 3.270 2.950 2.868 3.019 . 0 0 "[ . 1 . 2]" 1
873 1 69 LEU H 1 71 PHE H 4.380 . 4.380 4.379 4.332 4.403 0.023 16 0 "[ . 1 . 2]" 1
874 1 70 GLN HA 1 70 GLN QG 3.460 . 3.460 2.445 2.305 2.838 . 0 0 "[ . 1 . 2]" 1
875 1 70 GLN HA 1 72 PHE H 4.780 . 4.780 4.393 4.262 4.542 . 0 0 "[ . 1 . 2]" 1
876 1 70 GLN HA 1 73 ARG QG 3.460 . 3.460 2.094 2.000 2.241 . 0 0 "[ . 1 . 2]" 1
877 1 70 GLN HA 1 73 ARG HG3 4.140 . 4.140 3.347 2.868 3.678 . 0 0 "[ . 1 . 2]" 1
878 1 70 GLN HA 1 73 ARG HG2 4.140 . 4.140 2.119 2.018 2.298 . 0 0 "[ . 1 . 2]" 1
879 1 70 GLN HA 1 73 ARG H 3.600 . 3.600 3.525 3.434 3.611 0.011 3 0 "[ . 1 . 2]" 1
880 1 70 GLN HA 1 74 GLN H 4.290 . 4.290 4.177 4.062 4.257 . 0 0 "[ . 1 . 2]" 1
881 1 70 GLN QB 1 71 PHE QD 4.490 . 4.490 3.995 3.849 4.069 . 0 0 "[ . 1 . 2]" 1
882 1 70 GLN QB 1 71 PHE QE 4.440 . 4.440 4.423 4.296 4.470 0.030 15 0 "[ . 1 . 2]" 1
883 1 70 GLN QB 1 73 ARG QG 4.920 . 4.920 3.816 3.672 3.983 . 0 0 "[ . 1 . 2]" 1
884 1 70 GLN HB3 1 71 PHE H 3.450 . 3.450 3.394 3.277 3.482 0.032 16 0 "[ . 1 . 2]" 1
885 1 70 GLN HB2 1 71 PHE H 3.450 . 3.450 2.585 2.476 2.690 . 0 0 "[ . 1 . 2]" 1
886 1 70 GLN QG 1 73 ARG QD 4.160 . 4.160 3.724 2.953 4.241 0.081 6 0 "[ . 1 . 2]" 1
887 1 70 GLN QG 1 73 ARG QG 4.310 . 4.310 3.978 3.752 4.381 0.071 16 0 "[ . 1 . 2]" 1
888 1 70 GLN H 1 70 GLN QB 2.740 . 2.740 2.269 2.203 2.338 . 0 0 "[ . 1 . 2]" 1
889 1 70 GLN H 1 70 GLN HB3 3.430 . 3.430 3.512 3.495 3.546 0.116 4 0 "[ . 1 . 2]" 1
890 1 70 GLN H 1 70 GLN HB2 3.430 . 3.430 2.298 2.227 2.373 . 0 0 "[ . 1 . 2]" 1
891 1 70 GLN H 1 70 GLN QG 3.280 . 3.280 2.314 2.045 2.463 . 0 0 "[ . 1 . 2]" 1
892 1 70 GLN H 1 70 GLN HG3 4.020 . 4.020 2.684 2.294 3.622 . 0 0 "[ . 1 . 2]" 1
893 1 70 GLN H 1 70 GLN HG2 4.020 . 4.020 3.237 2.061 3.711 . 0 0 "[ . 1 . 2]" 1
894 1 70 GLN H 1 71 PHE HA 5.440 . 5.440 5.385 5.308 5.456 0.016 4 0 "[ . 1 . 2]" 1
895 1 70 GLN H 1 71 PHE QB 5.100 . 5.100 4.896 4.810 4.989 . 0 0 "[ . 1 . 2]" 1
896 1 70 GLN H 1 71 PHE QD 5.250 . 5.250 5.083 4.888 5.206 . 0 0 "[ . 1 . 2]" 1
897 1 70 GLN H 1 71 PHE H 3.330 . 3.330 2.802 2.727 2.912 . 0 0 "[ . 1 . 2]" 1
898 1 70 GLN H 1 72 PHE H 4.340 . 4.340 4.063 3.946 4.186 . 0 0 "[ . 1 . 2]" 1
899 1 70 GLN H 1 73 ARG QD 4.840 . 4.840 4.665 4.255 4.920 0.080 15 0 "[ . 1 . 2]" 1
900 1 71 PHE HA 1 71 PHE QD 3.310 . 3.310 2.283 2.181 2.432 . 0 0 "[ . 1 . 2]" 1
901 1 71 PHE HA 1 71 PHE QE 4.530 . 4.530 4.473 4.428 4.532 0.002 1 0 "[ . 1 . 2]" 1
902 1 71 PHE HA 1 74 GLN QB 3.620 . 3.620 2.421 2.180 2.681 . 0 0 "[ . 1 . 2]" 1
903 1 71 PHE HA 1 74 GLN H 3.600 . 3.600 3.361 3.217 3.525 . 0 0 "[ . 1 . 2]" 1
904 1 71 PHE HA 1 75 GLY H 4.800 . 4.800 4.662 4.518 4.811 0.011 6 0 "[ . 1 . 2]" 1
905 1 71 PHE HA 1 76 LEU QB 4.090 . 4.090 3.427 3.110 3.719 . 0 0 "[ . 1 . 2]" 1
906 1 71 PHE HA 1 76 LEU QD 3.370 . 3.370 2.413 2.150 2.899 . 0 0 "[ . 1 . 2]" 1
907 1 71 PHE HA 1 76 LEU MD1 4.550 . 4.550 3.955 2.684 4.636 0.086 16 0 "[ . 1 . 2]" 1
908 1 71 PHE HA 1 76 LEU MD2 4.550 . 4.550 3.022 2.155 4.574 0.024 11 0 "[ . 1 . 2]" 1
909 1 71 PHE HA 1 76 LEU HG 4.840 . 4.840 3.193 2.957 3.430 . 0 0 "[ . 1 . 2]" 1
910 1 71 PHE QB 1 76 LEU QB 4.240 . 4.240 2.102 1.904 2.423 . 0 0 "[ . 1 . 2]" 1
911 1 71 PHE QB 1 77 PHE QD 5.340 . 5.340 3.313 2.995 3.678 . 0 0 "[ . 1 . 2]" 1
912 1 71 PHE QB 1 77 PHE HZ 4.800 . 4.800 3.025 2.640 3.288 . 0 0 "[ . 1 . 2]" 1
913 1 71 PHE QD 1 74 GLN QB 4.510 . 4.510 3.770 3.548 4.023 . 0 0 "[ . 1 . 2]" 1
914 1 71 PHE QD 1 76 LEU QB 4.080 . 4.080 3.916 3.622 4.094 0.014 11 0 "[ . 1 . 2]" 1
915 1 71 PHE QD 1 76 LEU QD 3.610 . 3.610 2.546 2.048 3.028 . 0 0 "[ . 1 . 2]" 1
916 1 71 PHE QD 1 76 LEU MD1 4.370 . 4.370 3.291 2.051 4.264 . 0 0 "[ . 1 . 2]" 1
917 1 71 PHE QD 1 76 LEU MD2 4.370 . 4.370 3.377 2.657 4.413 0.043 12 0 "[ . 1 . 2]" 1
918 1 71 PHE QD 1 76 LEU HG 3.670 . 3.670 3.059 2.320 3.684 0.014 4 0 "[ . 1 . 2]" 1
919 1 71 PHE QE 1 76 LEU QD 4.960 . 4.960 3.987 3.479 4.502 . 0 0 "[ . 1 . 2]" 1
920 1 71 PHE H 1 71 PHE QB 3.110 . 3.110 2.493 2.453 2.538 . 0 0 "[ . 1 . 2]" 1
921 1 71 PHE H 1 71 PHE HB3 3.630 . 3.630 3.645 3.635 3.658 0.028 1 0 "[ . 1 . 2]" 1
922 1 71 PHE H 1 71 PHE HB2 3.630 . 3.630 2.538 2.494 2.590 . 0 0 "[ . 1 . 2]" 1
923 1 71 PHE H 1 71 PHE QD 3.620 . 3.620 3.153 3.006 3.234 . 0 0 "[ . 1 . 2]" 1
924 1 71 PHE H 1 71 PHE QE 4.740 . 4.740 4.542 4.493 4.588 . 0 0 "[ . 1 . 2]" 1
925 1 71 PHE H 1 72 PHE H 3.480 . 3.480 2.515 2.430 2.630 . 0 0 "[ . 1 . 2]" 1
926 1 71 PHE H 1 73 ARG H 4.430 . 4.430 4.258 4.129 4.374 . 0 0 "[ . 1 . 2]" 1
927 1 71 PHE H 1 77 PHE QE 4.150 . 4.150 3.821 3.577 4.074 . 0 0 "[ . 1 . 2]" 1
928 1 71 PHE H 1 77 PHE HZ 5.500 . 5.500 5.435 5.064 5.547 0.047 14 0 "[ . 1 . 2]" 1
929 1 72 PHE HA 1 72 PHE QD 3.770 . 3.770 2.933 2.827 3.046 . 0 0 "[ . 1 . 2]" 1
930 1 72 PHE HA 1 75 GLY QA 4.440 . 4.440 4.401 4.252 4.473 0.033 2 0 "[ . 1 . 2]" 1
931 1 72 PHE HA 1 75 GLY H 3.600 . 3.600 3.597 3.477 3.643 0.043 12 0 "[ . 1 . 2]" 1
932 1 72 PHE HA 1 76 LEU H 4.510 . 4.510 3.484 3.208 3.793 . 0 0 "[ . 1 . 2]" 1
933 1 72 PHE HA 1 77 PHE HA 5.500 . 5.500 5.018 4.615 5.578 0.078 3 0 "[ . 1 . 2]" 1
934 1 72 PHE HA 1 77 PHE QD 3.580 . 3.580 2.412 1.900 2.836 . 0 0 "[ . 1 . 2]" 1
935 1 72 PHE HA 1 77 PHE QE 4.600 . 4.600 4.171 3.504 4.558 . 0 0 "[ . 1 . 2]" 1
936 1 72 PHE HA 1 77 PHE H 4.500 . 4.500 2.583 2.114 3.078 . 0 0 "[ . 1 . 2]" 1
937 1 72 PHE QB 1 73 ARG HA 5.340 . 5.340 4.433 4.381 4.486 . 0 0 "[ . 1 . 2]" 1
938 1 72 PHE QB 1 73 ARG H 3.500 . 3.500 2.603 2.444 2.691 . 0 0 "[ . 1 . 2]" 1
939 1 72 PHE QB 1 77 PHE QD 5.340 . 5.340 2.212 1.950 2.611 . 0 0 "[ . 1 . 2]" 1
940 1 72 PHE HB3 1 73 ARG H 4.370 . 4.370 2.639 2.470 2.732 . 0 0 "[ . 1 . 2]" 1
941 1 72 PHE HB2 1 73 ARG H 4.370 . 4.370 3.971 3.877 4.038 . 0 0 "[ . 1 . 2]" 1
942 1 72 PHE QD 1 73 ARG QB 4.120 . 4.120 2.832 2.676 3.058 . 0 0 "[ . 1 . 2]" 1
943 1 72 PHE QD 1 73 ARG QG 4.720 . 4.720 3.924 3.447 4.248 . 0 0 "[ . 1 . 2]" 1
944 1 72 PHE QD 1 73 ARG H 3.460 . 3.460 2.699 2.577 2.859 . 0 0 "[ . 1 . 2]" 1
945 1 72 PHE QD 1 74 GLN H 5.000 . 5.000 4.989 4.924 5.049 0.049 16 0 "[ . 1 . 2]" 1
946 1 72 PHE QE 1 73 ARG HA 4.400 . 4.400 4.048 3.890 4.221 . 0 0 "[ . 1 . 2]" 1
947 1 72 PHE QE 1 73 ARG QB 4.550 . 4.550 3.474 3.174 3.687 . 0 0 "[ . 1 . 2]" 1
948 1 72 PHE QE 1 73 ARG H 4.580 . 4.580 4.596 4.539 4.644 0.064 7 0 "[ . 1 . 2]" 1
949 1 72 PHE H 1 72 PHE QB 2.910 . 2.910 2.103 2.063 2.145 . 0 0 "[ . 1 . 2]" 1
950 1 72 PHE H 1 72 PHE HB3 3.330 . 3.330 2.171 2.129 2.209 . 0 0 "[ . 1 . 2]" 1
951 1 72 PHE H 1 72 PHE HB2 3.330 . 3.330 2.825 2.691 2.908 . 0 0 "[ . 1 . 2]" 1
952 1 72 PHE H 1 72 PHE QD 3.900 . 3.900 3.939 3.913 3.971 0.071 18 0 "[ . 1 . 2]" 1
953 1 72 PHE H 1 73 ARG HA 5.310 . 5.310 5.330 5.297 5.348 0.038 18 0 "[ . 1 . 2]" 1
954 1 72 PHE H 1 73 ARG H 3.510 . 3.510 2.820 2.774 2.855 . 0 0 "[ . 1 . 2]" 1
955 1 72 PHE H 1 74 GLN H 4.620 . 4.620 3.910 3.803 4.006 . 0 0 "[ . 1 . 2]" 1
956 1 72 PHE H 1 76 LEU QB 4.660 . 4.660 4.313 3.959 4.707 0.047 9 0 "[ . 1 . 2]" 1
957 1 72 PHE H 1 76 LEU QD 5.020 . 5.020 4.679 4.452 5.005 . 0 0 "[ . 1 . 2]" 1
958 1 72 PHE H 1 76 LEU HG 5.500 . 5.500 5.553 5.487 5.586 0.086 1 0 "[ . 1 . 2]" 1
959 1 72 PHE H 1 77 PHE QD 3.700 . 3.700 3.088 2.630 3.600 . 0 0 "[ . 1 . 2]" 1
960 1 72 PHE H 1 77 PHE QE 3.510 . 3.510 3.101 2.721 3.507 . 0 0 "[ . 1 . 2]" 1
961 1 73 ARG HA 1 73 ARG QD 4.640 . 4.640 4.384 4.203 4.554 . 0 0 "[ . 1 . 2]" 1
962 1 73 ARG HA 1 73 ARG HD3 5.500 . 5.500 5.129 4.657 5.533 0.033 10 0 "[ . 1 . 2]" 1
963 1 73 ARG HA 1 73 ARG HD2 5.500 . 5.500 4.804 4.605 5.516 0.016 17 0 "[ . 1 . 2]" 1
964 1 73 ARG HA 1 73 ARG QG 3.620 . 3.620 3.363 3.337 3.395 . 0 0 "[ . 1 . 2]" 1
965 1 73 ARG HA 1 74 GLN HA 5.500 . 5.500 4.606 4.503 4.685 . 0 0 "[ . 1 . 2]" 1
966 1 73 ARG QB 1 73 ARG QD 3.220 . 3.220 2.223 2.076 2.395 . 0 0 "[ . 1 . 2]" 1
967 1 73 ARG QB 1 74 GLN HA 5.340 . 5.340 4.524 4.355 4.701 . 0 0 "[ . 1 . 2]" 1
968 1 73 ARG HB3 1 73 ARG QD 3.680 . 3.680 2.416 2.275 3.042 . 0 0 "[ . 1 . 2]" 1
969 1 73 ARG HB2 1 73 ARG QD 3.680 . 3.680 2.678 2.322 3.140 . 0 0 "[ . 1 . 2]" 1
970 1 73 ARG QD 1 74 GLN H 4.870 . 4.870 4.603 4.355 4.836 . 0 0 "[ . 1 . 2]" 1
971 1 73 ARG QG 1 74 GLN H 3.330 . 3.330 2.624 2.400 2.824 . 0 0 "[ . 1 . 2]" 1
972 1 73 ARG QG 1 75 GLY H 4.980 . 4.980 4.594 4.458 4.811 . 0 0 "[ . 1 . 2]" 1
973 1 73 ARG HG3 1 74 GLN H 4.160 . 4.160 3.037 2.660 3.348 . 0 0 "[ . 1 . 2]" 1
974 1 73 ARG HG2 1 74 GLN H 4.160 . 4.160 2.904 2.600 3.314 . 0 0 "[ . 1 . 2]" 1
975 1 73 ARG H 1 73 ARG QB 3.100 . 3.100 2.555 2.463 2.733 . 0 0 "[ . 1 . 2]" 1
976 1 73 ARG H 1 73 ARG QD 4.160 . 4.160 3.732 3.543 4.082 . 0 0 "[ . 1 . 2]" 1
977 1 73 ARG H 1 73 ARG HD3 4.790 . 4.790 4.249 3.797 4.765 . 0 0 "[ . 1 . 2]" 1
978 1 73 ARG H 1 73 ARG HD2 4.790 . 4.790 4.336 3.713 4.801 0.011 1 0 "[ . 1 . 2]" 1
979 1 73 ARG H 1 73 ARG QG 3.050 . 3.050 2.179 2.005 2.347 . 0 0 "[ . 1 . 2]" 1
980 1 73 ARG H 1 73 ARG HG3 3.640 . 3.640 3.443 2.952 3.641 0.001 2 0 "[ . 1 . 2]" 1
981 1 73 ARG H 1 73 ARG HG2 3.640 . 3.640 2.204 2.025 2.379 . 0 0 "[ . 1 . 2]" 1
982 1 73 ARG H 1 74 GLN HA 5.070 . 5.070 5.110 5.085 5.137 0.067 8 0 "[ . 1 . 2]" 1
983 1 73 ARG H 1 74 GLN QG 5.090 . 5.090 4.281 4.130 4.432 . 0 0 "[ . 1 . 2]" 1
984 1 73 ARG H 1 74 GLN H 3.520 . 3.520 2.533 2.452 2.600 . 0 0 "[ . 1 . 2]" 1
985 1 73 ARG H 1 75 GLY H 4.290 . 4.290 3.967 3.892 4.096 . 0 0 "[ . 1 . 2]" 1
986 1 74 GLN HA 1 74 GLN QE 4.250 . 4.250 3.564 1.754 4.334 0.084 12 0 "[ . 1 . 2]" 1
987 1 74 GLN HA 1 74 GLN HG3 3.480 . 3.480 3.174 2.838 3.608 0.128 4 0 "[ . 1 . 2]" 1
988 1 74 GLN HA 1 74 GLN HG2 3.480 . 3.480 2.562 2.349 2.882 . 0 0 "[ . 1 . 2]" 1
989 1 74 GLN HA 1 75 GLY H 3.500 . 3.500 3.367 3.292 3.467 . 0 0 "[ . 1 . 2]" 1
990 1 74 GLN QB 1 75 GLY H 3.590 . 3.590 3.266 3.059 3.463 . 0 0 "[ . 1 . 2]" 1
991 1 74 GLN QB 1 76 LEU QD 3.620 . 3.620 2.287 1.859 3.058 . 0 0 "[ . 1 . 2]" 1
992 1 74 GLN QB 1 76 LEU H 4.320 . 4.320 3.333 3.060 3.646 . 0 0 "[ . 1 . 2]" 1
993 1 74 GLN HB3 1 76 LEU QD 4.350 . 4.350 2.886 2.520 3.432 . 0 0 "[ . 1 . 2]" 1
994 1 74 GLN HB3 1 76 LEU H 4.970 . 4.970 4.338 4.063 4.873 . 0 0 "[ . 1 . 2]" 1
995 1 74 GLN HB2 1 76 LEU QD 4.350 . 4.350 2.444 1.891 3.432 . 0 0 "[ . 1 . 2]" 1
996 1 74 GLN HB2 1 76 LEU H 4.970 . 4.970 3.465 3.165 3.765 . 0 0 "[ . 1 . 2]" 1
997 1 74 GLN QE 1 74 GLN QG 3.080 . 3.080 2.222 2.033 2.785 . 0 0 "[ . 1 . 2]" 1
998 1 74 GLN QG 1 75 GLY H 4.700 . 4.700 4.410 4.315 4.520 . 0 0 "[ . 1 . 2]" 1
999 1 74 GLN HG3 1 75 GLY H 5.400 . 5.400 4.940 4.625 5.454 0.054 16 0 "[ . 1 . 2]" 1
1000 1 74 GLN HG2 1 75 GLY H 5.400 . 5.400 5.091 4.635 5.392 . 0 0 "[ . 1 . 2]" 1
1001 1 74 GLN H 1 74 GLN QB 2.790 . 2.790 2.372 2.229 2.487 . 0 0 "[ . 1 . 2]" 1
1002 1 74 GLN H 1 74 GLN QG 3.130 . 3.130 2.476 2.382 2.557 . 0 0 "[ . 1 . 2]" 1
1003 1 74 GLN H 1 74 GLN HG3 3.680 . 3.680 2.867 2.452 3.763 0.083 5 0 "[ . 1 . 2]" 1
1004 1 74 GLN H 1 74 GLN HG2 3.680 . 3.680 3.321 2.411 3.701 0.021 14 0 "[ . 1 . 2]" 1
1005 1 74 GLN H 1 75 GLY H 3.410 . 3.410 2.568 2.490 2.636 . 0 0 "[ . 1 . 2]" 1
1006 1 74 GLN H 1 76 LEU QD 4.910 . 4.910 3.973 3.468 4.847 . 0 0 "[ . 1 . 2]" 1
1007 1 74 GLN H 1 76 LEU H 4.300 . 4.300 3.853 3.720 3.955 . 0 0 "[ . 1 . 2]" 1
1008 1 75 GLY QA 1 76 LEU QD 5.290 . 5.290 3.694 3.491 3.999 . 0 0 "[ . 1 . 2]" 1
1009 1 75 GLY QA 1 78 LYS H 4.570 . 4.570 3.334 3.030 3.685 . 0 0 "[ . 1 . 2]" 1
1010 1 75 GLY H 1 76 LEU H 3.410 . 3.410 2.318 2.233 2.462 . 0 0 "[ . 1 . 2]" 1
1011 1 75 GLY H 1 78 LYS QG 4.000 . 4.000 3.958 3.542 4.163 0.163 20 0 "[ . 1 . 2]" 1
1012 1 75 GLY H 1 78 LYS H 5.030 . 5.030 4.751 4.316 5.063 0.033 13 0 "[ . 1 . 2]" 1
1013 1 76 LEU HA 1 76 LEU QD 3.260 . 3.260 2.052 2.002 2.097 . 0 0 "[ . 1 . 2]" 1
1014 1 76 LEU HA 1 76 LEU MD1 3.790 . 3.790 2.720 2.099 3.806 0.016 11 0 "[ . 1 . 2]" 1
1015 1 76 LEU HA 1 76 LEU MD2 3.790 . 3.790 2.445 2.010 2.747 . 0 0 "[ . 1 . 2]" 1
1016 1 76 LEU HA 1 76 LEU HG 3.950 . 3.950 3.613 3.264 3.818 . 0 0 "[ . 1 . 2]" 1
1017 1 76 LEU QB 1 76 LEU QD 2.680 . 2.680 2.044 1.973 2.083 . 0 0 "[ . 1 . 2]" 1
1018 1 76 LEU QB 1 77 PHE QD 4.050 . 4.050 3.535 3.336 3.805 . 0 0 "[ . 1 . 2]" 1
1019 1 76 LEU QB 1 77 PHE QE 4.400 . 4.400 3.710 3.439 4.067 . 0 0 "[ . 1 . 2]" 1
1020 1 76 LEU QB 1 77 PHE H 4.100 . 4.100 2.569 2.346 2.910 . 0 0 "[ . 1 . 2]" 1
1021 1 76 LEU QB 1 77 PHE HZ 4.800 . 4.800 4.360 4.083 4.763 . 0 0 "[ . 1 . 2]" 1
1022 1 76 LEU QD 1 77 PHE H 4.380 . 4.380 3.966 3.782 4.235 . 0 0 "[ . 1 . 2]" 1
1023 1 76 LEU MD1 1 77 PHE H 5.120 . 5.120 4.735 4.591 4.962 . 0 0 "[ . 1 . 2]" 1
1024 1 76 LEU MD2 1 77 PHE H 5.120 . 5.120 4.273 3.992 4.623 . 0 0 "[ . 1 . 2]" 1
1025 1 76 LEU HG 1 77 PHE H 5.230 . 5.230 4.743 4.248 5.209 . 0 0 "[ . 1 . 2]" 1
1026 1 76 LEU H 1 76 LEU QB 3.430 . 3.430 2.359 2.205 2.518 . 0 0 "[ . 1 . 2]" 1
1027 1 76 LEU H 1 76 LEU QD 3.700 . 3.700 2.519 2.127 3.077 . 0 0 "[ . 1 . 2]" 1
1028 1 76 LEU H 1 76 LEU MD1 4.250 . 4.250 3.868 3.740 4.065 . 0 0 "[ . 1 . 2]" 1
1029 1 76 LEU H 1 76 LEU MD2 4.250 . 4.250 2.572 2.140 3.218 . 0 0 "[ . 1 . 2]" 1
1030 1 76 LEU H 1 76 LEU HG 4.180 . 4.180 3.449 2.346 4.086 . 0 0 "[ . 1 . 2]" 1
1031 1 76 LEU H 1 77 PHE H 4.040 . 4.040 2.591 2.379 2.731 . 0 0 "[ . 1 . 2]" 1
1032 1 76 LEU H 1 78 LYS H 4.400 . 4.400 3.857 3.615 4.110 . 0 0 "[ . 1 . 2]" 1
1033 1 77 PHE HA 1 79 LYS QB 5.100 . 5.100 4.361 3.967 5.193 0.093 12 0 "[ . 1 . 2]" 1
1034 1 77 PHE QB 1 78 LYS H 4.320 . 4.320 3.493 3.345 3.638 . 0 0 "[ . 1 . 2]" 1
1035 1 77 PHE QD 1 141 MET ME 4.400 . 4.400 3.934 2.748 4.429 0.029 18 0 "[ . 1 . 2]" 1
1036 1 77 PHE QE 1 141 MET ME 5.000 . 5.000 3.400 2.269 4.907 . 0 0 "[ . 1 . 2]" 1
1037 1 77 PHE H 1 77 PHE QB 3.430 . 3.430 2.520 2.458 2.613 . 0 0 "[ . 1 . 2]" 1
1038 1 77 PHE H 1 77 PHE HB3 3.930 . 3.930 3.683 3.654 3.734 . 0 0 "[ . 1 . 2]" 1
1039 1 77 PHE H 1 77 PHE HB2 3.930 . 3.930 2.566 2.499 2.669 . 0 0 "[ . 1 . 2]" 1
1040 1 77 PHE H 1 77 PHE QE 4.590 . 4.590 4.618 4.541 4.655 0.065 6 0 "[ . 1 . 2]" 1
1041 1 77 PHE H 1 78 LYS HA 4.840 . 4.840 4.755 4.305 4.896 0.056 8 0 "[ . 1 . 2]" 1
1042 1 77 PHE H 1 78 LYS QB 4.580 . 4.580 4.534 4.036 4.644 0.064 1 0 "[ . 1 . 2]" 1
1043 1 77 PHE H 1 78 LYS QG 4.880 . 4.880 3.915 3.581 4.202 . 0 0 "[ . 1 . 2]" 1
1044 1 77 PHE H 1 78 LYS H 3.310 . 3.310 2.520 2.326 2.658 . 0 0 "[ . 1 . 2]" 1
1045 1 78 LYS HA 1 78 LYS QG 3.540 . 3.540 3.103 2.272 3.548 0.008 16 0 "[ . 1 . 2]" 1
1046 1 78 LYS HA 1 80 LEU H 4.440 . 4.440 3.492 3.118 3.948 . 0 0 "[ . 1 . 2]" 1
1047 1 78 LYS QB 1 79 LYS H 4.380 . 4.380 3.586 3.055 3.858 . 0 0 "[ . 1 . 2]" 1
1048 1 78 LYS H 1 78 LYS QB 2.980 . 2.980 2.616 2.340 2.853 . 0 0 "[ . 1 . 2]" 1
1049 1 78 LYS H 1 78 LYS HB3 3.700 . 3.700 3.102 2.646 3.663 . 0 0 "[ . 1 . 2]" 1
1050 1 78 LYS H 1 78 LYS HB2 3.700 . 3.700 3.251 2.369 3.725 0.025 2 0 "[ . 1 . 2]" 1
1051 1 78 LYS H 1 78 LYS QG 3.250 . 3.250 2.270 2.056 2.530 . 0 0 "[ . 1 . 2]" 1
1052 1 78 LYS H 1 79 LYS HA 5.220 . 5.220 5.196 5.036 5.285 0.065 3 0 "[ . 1 . 2]" 1
1053 1 78 LYS H 1 79 LYS QB 5.020 . 5.020 4.720 4.476 4.949 . 0 0 "[ . 1 . 2]" 1
1054 1 78 LYS H 1 79 LYS H 3.750 . 3.750 2.605 2.390 2.745 . 0 0 "[ . 1 . 2]" 1
1055 1 79 LYS HA 1 79 LYS QG 3.450 . 3.450 2.772 2.377 3.369 . 0 0 "[ . 1 . 2]" 1
1056 1 79 LYS HA 1 80 LEU H 3.630 . 3.630 3.389 3.315 3.469 . 0 0 "[ . 1 . 2]" 1
1057 1 79 LYS HA 1 81 LYS H 3.700 . 3.700 3.735 3.523 3.809 0.109 13 0 "[ . 1 . 2]" 1
1058 1 79 LYS QG 1 80 LEU H 4.970 . 4.970 4.010 2.759 4.399 . 0 0 "[ . 1 . 2]" 1
1059 1 79 LYS H 1 79 LYS QB 3.430 . 3.430 2.491 2.280 2.814 . 0 0 "[ . 1 . 2]" 1
1060 1 79 LYS H 1 79 LYS HG3 3.560 . 3.560 2.915 2.262 3.647 0.087 18 0 "[ . 1 . 2]" 1
1061 1 79 LYS H 1 79 LYS HG2 3.560 . 3.560 2.876 1.825 3.572 0.012 7 0 "[ . 1 . 2]" 1
1062 1 79 LYS H 1 80 LEU H 3.630 . 3.630 2.409 2.219 2.638 . 0 0 "[ . 1 . 2]" 1
1063 1 79 LYS H 1 81 LYS H 4.560 . 4.560 4.207 3.795 4.613 0.053 1 0 "[ . 1 . 2]" 1
1064 1 80 LEU HA 1 80 LEU QD 4.210 . 4.210 2.538 1.937 3.168 . 0 0 "[ . 1 . 2]" 1
1065 1 80 LEU HA 1 80 LEU HG 4.170 . 4.170 3.071 2.467 3.847 . 0 0 "[ . 1 . 2]" 1
1066 1 80 LEU QB 1 81 LYS H 3.390 . 3.390 3.085 2.772 3.440 0.050 13 0 "[ . 1 . 2]" 1
1067 1 80 LEU QD 1 81 LYS QB 5.280 . 5.280 4.525 3.157 5.308 0.028 4 0 "[ . 1 . 2]" 1
1068 1 80 LEU QD 1 81 LYS H 4.440 . 4.440 3.880 3.512 4.346 . 0 0 "[ . 1 . 2]" 1
1069 1 80 LEU QD 1 83 ALA H 4.800 . 4.800 3.927 3.112 4.680 . 0 0 "[ . 1 . 2]" 1
1070 1 80 LEU H 1 80 LEU HB3 3.430 . 3.430 2.624 2.343 3.524 0.094 6 0 "[ . 1 . 2]" 1
1071 1 80 LEU H 1 80 LEU HB2 3.430 . 3.430 2.475 2.296 2.705 . 0 0 "[ . 1 . 2]" 1
1072 1 80 LEU H 1 80 LEU QD 3.740 . 3.740 3.581 2.321 3.744 0.004 13 0 "[ . 1 . 2]" 1
1073 1 80 LEU H 1 80 LEU MD1 4.330 . 4.330 4.087 3.510 4.272 . 0 0 "[ . 1 . 2]" 1
1074 1 80 LEU H 1 80 LEU MD2 4.330 . 4.330 4.001 2.347 4.296 . 0 0 "[ . 1 . 2]" 1
1075 1 80 LEU H 1 80 LEU HG 5.410 . 5.410 4.293 2.325 4.619 . 0 0 "[ . 1 . 2]" 1
1076 1 80 LEU H 1 81 LYS H 3.690 . 3.690 2.445 2.112 2.763 . 0 0 "[ . 1 . 2]" 1
1077 1 81 LYS HA 1 81 LYS QG 3.500 . 3.500 3.027 2.401 3.521 0.021 1 0 "[ . 1 . 2]" 1
1078 1 81 LYS HA 1 83 ALA H 3.880 . 3.880 3.598 3.001 3.949 0.069 19 0 "[ . 1 . 2]" 1
1079 1 81 LYS QB 1 83 ALA H 5.250 . 5.250 4.663 4.411 5.064 . 0 0 "[ . 1 . 2]" 1
1080 1 81 LYS H 1 81 LYS QG 5.090 . 5.090 3.253 2.046 4.095 . 0 0 "[ . 1 . 2]" 1
1081 1 82 ASP HA 1 83 ALA H 3.190 . 3.190 3.116 3.049 3.306 0.116 13 0 "[ . 1 . 2]" 1
1082 1 82 ASP QB 1 83 ALA H 4.090 . 4.090 3.521 2.506 3.692 . 0 0 "[ . 1 . 2]" 1
1083 1 83 ALA HA 1 84 GLU QB 4.770 . 4.770 4.299 4.157 4.433 . 0 0 "[ . 1 . 2]" 1
1084 1 83 ALA HA 1 84 GLU H 2.780 . 2.780 2.138 1.916 2.253 . 0 0 "[ . 1 . 2]" 1
1085 1 83 ALA HA 1 103 TRP QB 4.180 . 4.180 4.006 3.175 4.224 0.044 5 0 "[ . 1 . 2]" 1
1086 1 83 ALA HA 1 104 LYS H 4.600 . 4.600 4.255 3.754 4.633 0.033 17 0 "[ . 1 . 2]" 1
1087 1 83 ALA MB 1 84 GLU H 2.930 . 2.930 2.700 2.460 3.029 0.099 13 0 "[ . 1 . 2]" 1
1088 1 83 ALA MB 1 103 TRP HA 4.670 . 4.670 3.702 3.420 4.095 . 0 0 "[ . 1 . 2]" 1
1089 1 83 ALA MB 1 103 TRP QB 3.040 . 3.040 1.891 1.819 2.098 . 0 0 "[ . 1 . 2]" 1
1090 1 83 ALA MB 1 103 TRP HD1 3.400 . 3.400 2.940 2.323 3.447 0.047 7 0 "[ . 1 . 2]" 1
1091 1 83 ALA MB 1 104 LYS H 4.200 . 4.200 3.071 2.581 3.962 . 0 0 "[ . 1 . 2]" 1
1092 1 83 ALA MB 1 105 SER H 5.500 . 5.500 3.653 3.075 5.568 0.068 13 0 "[ . 1 . 2]" 1
1093 1 83 ALA H 1 83 ALA MB 2.690 . 2.690 2.284 2.217 2.566 . 0 0 "[ . 1 . 2]" 1
1094 1 83 ALA H 1 84 GLU H 4.770 . 4.770 4.490 3.893 4.600 . 0 0 "[ . 1 . 2]" 1
1095 1 84 GLU HA 1 84 GLU QG 3.640 . 3.640 2.635 2.361 3.360 . 0 0 "[ . 1 . 2]" 1
1096 1 84 GLU HA 1 85 PHE H 3.200 . 3.200 2.227 2.086 2.421 . 0 0 "[ . 1 . 2]" 1
1097 1 84 GLU HA 1 104 LYS H 4.690 . 4.690 4.609 4.461 4.704 0.014 16 0 "[ . 1 . 2]" 1
1098 1 84 GLU QB 1 85 PHE H 3.600 . 3.600 3.003 2.566 3.394 . 0 0 "[ . 1 . 2]" 1
1099 1 84 GLU QB 1 104 LYS H 4.130 . 4.130 3.604 3.027 4.181 0.051 1 0 "[ . 1 . 2]" 1
1100 1 84 GLU QG 1 85 PHE H 4.380 . 4.380 4.149 3.748 4.456 0.076 9 0 "[ . 1 . 2]" 1
1101 1 84 GLU H 1 84 GLU QB 2.870 . 2.870 2.485 2.374 2.775 . 0 0 "[ . 1 . 2]" 1
1102 1 84 GLU H 1 84 GLU QG 3.420 . 3.420 2.474 1.901 2.913 . 0 0 "[ . 1 . 2]" 1
1103 1 84 GLU H 1 84 GLU HG3 4.280 . 4.280 2.715 2.339 4.014 . 0 0 "[ . 1 . 2]" 1
1104 1 84 GLU H 1 84 GLU HG2 4.280 . 4.280 3.450 1.927 4.073 . 0 0 "[ . 1 . 2]" 1
1105 1 84 GLU H 1 85 PHE H 4.710 . 4.710 4.445 4.291 4.625 . 0 0 "[ . 1 . 2]" 1
1106 1 84 GLU H 1 103 TRP HA 4.510 . 4.510 4.356 4.136 4.533 0.023 17 0 "[ . 1 . 2]" 1
1107 1 84 GLU H 1 104 LYS QB 4.240 . 4.240 3.679 3.410 4.220 . 0 0 "[ . 1 . 2]" 1
1108 1 84 GLU H 1 104 LYS H 3.530 . 3.530 2.845 2.549 3.185 . 0 0 "[ . 1 . 2]" 1
1109 1 85 PHE HA 1 104 LYS H 4.670 . 4.670 3.631 3.285 4.138 . 0 0 "[ . 1 . 2]" 1
1110 1 85 PHE QB 1 103 TRP HD1 4.120 . 4.120 2.718 2.170 3.153 . 0 0 "[ . 1 . 2]" 1
1111 1 85 PHE QB 1 103 TRP HE1 3.560 . 3.560 2.425 2.223 2.665 . 0 0 "[ . 1 . 2]" 1
1112 1 85 PHE HB3 1 103 TRP HE1 4.270 . 4.270 2.713 2.239 4.281 0.011 15 0 "[ . 1 . 2]" 1
1113 1 85 PHE HB2 1 103 TRP HE1 4.270 . 4.270 3.642 2.319 4.283 0.013 17 0 "[ . 1 . 2]" 1
1114 1 85 PHE QD 1 103 TRP HA 5.500 . 5.500 5.103 3.991 5.507 0.007 16 0 "[ . 1 . 2]" 1
1115 1 85 PHE QD 1 103 TRP HD1 4.450 . 4.450 3.415 2.443 3.942 . 0 0 "[ . 1 . 2]" 1
1116 1 85 PHE QD 1 103 TRP HE1 3.700 . 3.700 3.022 2.197 3.712 0.012 19 0 "[ . 1 . 2]" 1
1117 1 85 PHE H 1 85 PHE HB3 3.760 . 3.760 2.890 2.396 3.252 . 0 0 "[ . 1 . 2]" 1
1118 1 85 PHE H 1 85 PHE HB2 3.760 . 3.760 3.556 2.583 3.797 0.037 3 0 "[ . 1 . 2]" 1
1119 1 85 PHE H 1 85 PHE QD 4.290 . 4.290 2.706 2.106 4.199 . 0 0 "[ . 1 . 2]" 1
1120 1 85 PHE H 1 103 TRP HE1 5.170 . 5.170 4.623 3.983 5.204 0.034 1 0 "[ . 1 . 2]" 1
1121 1 88 ASN QD 1 102 VAL QG 3.880 . 3.880 2.930 1.789 3.918 0.038 10 0 "[ . 1 . 2]" 1
1122 1 95 GLU HA 1 96 GLY QA 5.310 . 5.310 4.057 3.814 4.408 . 0 0 "[ . 1 . 2]" 1
1123 1 95 GLU HA 1 96 GLY H 3.400 . 3.400 2.816 2.083 3.458 0.058 2 0 "[ . 1 . 2]" 1
1124 1 95 GLU HB3 1 96 GLY H 4.680 . 4.680 4.000 1.868 4.488 . 0 0 "[ . 1 . 2]" 1
1125 1 95 GLU HB2 1 96 GLY H 4.680 . 4.680 3.965 1.856 4.521 . 0 0 "[ . 1 . 2]" 1
1126 1 95 GLU QG 1 96 GLY QA 3.860 . 3.860 3.498 3.157 4.046 0.186 10 0 "[ . 1 . 2]" 1
1127 1 95 GLU QG 1 96 GLY H 3.570 . 3.570 2.791 2.056 3.597 0.027 4 0 "[ . 1 . 2]" 1
1128 1 95 GLU HG3 1 96 GLY H 4.080 . 4.080 3.146 2.068 4.173 0.093 7 0 "[ . 1 . 2]" 1
1129 1 95 GLU HG2 1 96 GLY H 4.080 . 4.080 3.298 2.662 3.981 . 0 0 "[ . 1 . 2]" 1
1130 1 96 GLY QA 1 97 GLU HA 4.930 . 4.930 4.031 3.881 4.164 . 0 0 "[ . 1 . 2]" 1
1131 1 96 GLY QA 1 97 GLU QG 4.910 . 4.910 3.999 3.388 4.607 . 0 0 "[ . 1 . 2]" 1
1132 1 96 GLY QA 1 97 GLU H 3.200 . 3.200 2.293 2.098 2.603 . 0 0 "[ . 1 . 2]" 1
1133 1 96 GLY H 1 97 GLU H 4.180 . 4.180 3.320 1.952 4.201 0.021 7 0 "[ . 1 . 2]" 1
1134 1 97 GLU HA 1 97 GLU QG 3.470 . 3.470 3.035 2.340 3.496 0.026 5 0 "[ . 1 . 2]" 1
1135 1 97 GLU H 1 97 GLU QB 3.610 . 3.610 2.714 2.076 3.335 . 0 0 "[ . 1 . 2]" 1
1136 1 97 GLU H 1 97 GLU QG 3.180 . 3.180 2.424 2.012 2.865 . 0 0 "[ . 1 . 2]" 1
1137 1 97 GLU H 1 126 ARG H 4.400 . 4.400 3.957 2.891 4.457 0.057 12 0 "[ . 1 . 2]" 1
1138 1 99 TYR HA 1 100 LYS H 3.160 . 3.160 2.184 2.053 2.313 . 0 0 "[ . 1 . 2]" 1
1139 1 99 TYR QB 1 100 LYS HA 4.470 . 4.470 4.014 3.694 4.227 . 0 0 "[ . 1 . 2]" 1
1140 1 99 TYR QB 1 100 LYS H 3.370 . 3.370 2.951 2.533 3.324 . 0 0 "[ . 1 . 2]" 1
1141 1 99 TYR QB 1 124 ILE HB 4.820 . 4.820 2.396 2.109 2.944 . 0 0 "[ . 1 . 2]" 1
1142 1 99 TYR QB 1 124 ILE MD 3.960 . 3.960 3.167 2.779 3.624 . 0 0 "[ . 1 . 2]" 1
1143 1 99 TYR QB 1 124 ILE QG 3.850 . 3.850 3.496 3.151 3.851 0.001 16 0 "[ . 1 . 2]" 1
1144 1 99 TYR QB 1 124 ILE MG 4.390 . 4.390 3.778 3.441 4.248 . 0 0 "[ . 1 . 2]" 1
1145 1 99 TYR QB 1 124 ILE H 4.710 . 4.710 3.141 2.955 3.339 . 0 0 "[ . 1 . 2]" 1
1146 1 99 TYR QD 1 100 LYS H 4.380 . 4.380 4.256 4.042 4.424 0.044 18 0 "[ . 1 . 2]" 1
1147 1 99 TYR QD 1 124 ILE HB 4.330 . 4.330 1.991 1.828 2.296 . 0 0 "[ . 1 . 2]" 1
1148 1 99 TYR QD 1 124 ILE MD 3.450 . 3.450 2.864 2.723 3.050 . 0 0 "[ . 1 . 2]" 1
1149 1 99 TYR QD 1 124 ILE MG 3.460 . 3.460 2.480 2.203 2.947 . 0 0 "[ . 1 . 2]" 1
1150 1 99 TYR QE 1 124 ILE MD 4.080 . 4.080 4.181 4.085 4.251 0.171 19 0 "[ . 1 . 2]" 1
1151 1 99 TYR QE 1 124 ILE MG 3.600 . 3.600 3.001 2.594 3.299 . 0 0 "[ . 1 . 2]" 1
1152 1 99 TYR QE 1 126 ARG QB 5.210 . 5.210 3.722 2.863 5.000 . 0 0 "[ . 1 . 2]" 1
1153 1 99 TYR QE 1 126 ARG QG 5.090 . 5.090 4.443 2.841 5.159 0.069 12 0 "[ . 1 . 2]" 1
1154 1 99 TYR H 1 99 TYR QB 3.480 . 3.480 2.666 2.560 2.747 . 0 0 "[ . 1 . 2]" 1
1155 1 99 TYR H 1 99 TYR QD 3.520 . 3.520 3.198 2.988 3.433 . 0 0 "[ . 1 . 2]" 1
1156 1 99 TYR H 1 99 TYR QE 5.040 . 5.040 4.661 4.374 4.980 . 0 0 "[ . 1 . 2]" 1
1157 1 99 TYR H 1 100 LYS H 4.680 . 4.680 4.350 4.231 4.461 . 0 0 "[ . 1 . 2]" 1
1158 1 99 TYR H 1 124 ILE HB 4.320 . 4.320 3.096 2.626 3.275 . 0 0 "[ . 1 . 2]" 1
1159 1 99 TYR H 1 124 ILE MD 4.970 . 4.970 4.917 4.576 5.015 0.045 11 0 "[ . 1 . 2]" 1
1160 1 99 TYR H 1 124 ILE QG 4.670 . 4.670 4.617 4.409 4.705 0.035 14 0 "[ . 1 . 2]" 1
1161 1 99 TYR H 1 124 ILE MG 4.640 . 4.640 3.976 3.343 4.177 . 0 0 "[ . 1 . 2]" 1
1162 1 99 TYR H 1 124 ILE H 4.000 . 4.000 2.780 2.664 2.922 . 0 0 "[ . 1 . 2]" 1
1163 1 99 TYR H 1 125 TRP HA 4.000 . 4.000 3.279 3.078 3.491 . 0 0 "[ . 1 . 2]" 1
1164 1 100 LYS HA 1 101 LEU H 3.480 . 3.480 2.084 1.927 2.207 . 0 0 "[ . 1 . 2]" 1
1165 1 100 LYS HA 1 122 ALA H 5.500 . 5.500 4.520 4.217 4.831 . 0 0 "[ . 1 . 2]" 1
1166 1 100 LYS HA 1 124 ILE H 4.000 . 4.000 3.778 3.257 4.032 0.032 4 0 "[ . 1 . 2]" 1
1167 1 100 LYS QG 1 101 LEU H 4.480 . 4.480 3.971 2.513 4.517 0.037 13 0 "[ . 1 . 2]" 1
1168 1 100 LYS QG 1 123 TYR QD 3.950 . 3.950 2.652 1.963 3.868 . 0 0 "[ . 1 . 2]" 1
1169 1 100 LYS QG 1 124 ILE H 5.340 . 5.340 4.785 3.865 5.391 0.051 1 0 "[ . 1 . 2]" 1
1170 1 100 LYS H 1 100 LYS QB 3.490 . 3.490 2.623 2.330 3.186 . 0 0 "[ . 1 . 2]" 1
1171 1 100 LYS H 1 100 LYS HB3 4.070 . 4.070 3.444 2.626 3.838 . 0 0 "[ . 1 . 2]" 1
1172 1 100 LYS H 1 100 LYS HB2 4.070 . 4.070 2.860 2.361 3.878 . 0 0 "[ . 1 . 2]" 1
1173 1 100 LYS H 1 100 LYS QG 4.650 . 4.650 3.553 2.476 4.228 . 0 0 "[ . 1 . 2]" 1
1174 1 100 LYS H 1 100 LYS HG3 5.420 . 5.420 3.918 2.856 4.898 . 0 0 "[ . 1 . 2]" 1
1175 1 100 LYS H 1 100 LYS HG2 5.420 . 5.420 4.234 2.600 4.660 . 0 0 "[ . 1 . 2]" 1
1176 1 100 LYS H 1 101 LEU QD 4.150 . 4.150 3.444 2.577 3.936 . 0 0 "[ . 1 . 2]" 1
1177 1 100 LYS H 1 101 LEU MD1 5.000 . 5.000 4.650 3.360 5.112 0.112 16 0 "[ . 1 . 2]" 1
1178 1 100 LYS H 1 101 LEU MD2 5.000 . 5.000 3.574 2.676 4.098 . 0 0 "[ . 1 . 2]" 1
1179 1 100 LYS H 1 101 LEU H 4.420 . 4.420 3.902 3.687 4.104 . 0 0 "[ . 1 . 2]" 1
1180 1 100 LYS H 1 124 ILE H 5.210 . 5.210 4.981 4.765 5.124 . 0 0 "[ . 1 . 2]" 1
1181 1 101 LEU HA 1 122 ALA H 5.500 . 5.500 4.798 4.514 5.000 . 0 0 "[ . 1 . 2]" 1
1182 1 101 LEU QB 1 103 TRP HH2 4.780 . 4.780 2.615 2.248 3.108 . 0 0 "[ . 1 . 2]" 1
1183 1 101 LEU QB 1 103 TRP HZ2 4.360 . 4.360 3.671 3.321 4.115 . 0 0 "[ . 1 . 2]" 1
1184 1 101 LEU QB 1 122 ALA H 4.500 . 4.500 3.372 2.822 3.751 . 0 0 "[ . 1 . 2]" 1
1185 1 101 LEU QD 1 103 TRP HZ2 5.230 . 5.230 3.816 2.969 4.768 . 0 0 "[ . 1 . 2]" 1
1186 1 101 LEU H 1 101 LEU QB 3.610 . 3.610 2.504 2.400 2.637 . 0 0 "[ . 1 . 2]" 1
1187 1 101 LEU H 1 101 LEU QD 3.930 . 3.930 2.941 2.044 3.535 . 0 0 "[ . 1 . 2]" 1
1188 1 101 LEU H 1 101 LEU MD1 4.560 . 4.560 3.734 3.406 4.106 . 0 0 "[ . 1 . 2]" 1
1189 1 101 LEU H 1 101 LEU MD2 4.560 . 4.560 3.165 2.061 3.932 . 0 0 "[ . 1 . 2]" 1
1190 1 101 LEU H 1 101 LEU HG 4.510 . 4.510 3.262 2.441 4.410 . 0 0 "[ . 1 . 2]" 1
1191 1 101 LEU H 1 122 ALA MB 4.950 . 4.950 3.271 2.944 3.543 . 0 0 "[ . 1 . 2]" 1
1192 1 101 LEU H 1 122 ALA H 3.680 . 3.680 3.179 3.028 3.317 . 0 0 "[ . 1 . 2]" 1
1193 1 101 LEU H 1 123 TYR HA 4.000 . 4.000 3.873 3.674 4.059 0.059 11 0 "[ . 1 . 2]" 1
1194 1 102 VAL HA 1 102 VAL QG 3.010 . 3.010 2.290 2.143 2.375 . 0 0 "[ . 1 . 2]" 1
1195 1 102 VAL HA 1 102 VAL MG1 3.480 . 3.480 2.999 2.281 3.239 . 0 0 "[ . 1 . 2]" 1
1196 1 102 VAL HA 1 102 VAL MG2 3.480 . 3.480 2.438 2.361 2.624 . 0 0 "[ . 1 . 2]" 1
1197 1 102 VAL HA 1 103 TRP HE3 4.130 . 4.130 2.851 2.511 3.081 . 0 0 "[ . 1 . 2]" 1
1198 1 102 VAL HA 1 103 TRP H 3.200 . 3.200 2.043 1.952 2.179 . 0 0 "[ . 1 . 2]" 1
1199 1 102 VAL HA 1 103 TRP HZ3 4.970 . 4.970 3.903 3.579 4.249 . 0 0 "[ . 1 . 2]" 1
1200 1 102 VAL HA 1 120 ALA H 4.750 . 4.750 4.118 3.869 4.351 . 0 0 "[ . 1 . 2]" 1
1201 1 102 VAL HA 1 121 GLU HA 2.600 . 2.600 2.200 2.009 2.386 . 0 0 "[ . 1 . 2]" 1
1202 1 102 VAL HA 1 122 ALA H 3.690 . 3.690 3.304 3.134 3.558 . 0 0 "[ . 1 . 2]" 1
1203 1 102 VAL HB 1 103 TRP HE3 5.350 . 5.350 5.290 4.946 5.448 0.098 10 0 "[ . 1 . 2]" 1
1204 1 102 VAL HB 1 103 TRP H 4.000 . 4.000 3.955 3.541 4.045 0.045 9 0 "[ . 1 . 2]" 1
1205 1 102 VAL QG 1 103 TRP HE3 4.260 . 4.260 3.990 3.798 4.212 . 0 0 "[ . 1 . 2]" 1
1206 1 102 VAL QG 1 103 TRP H 3.250 . 3.250 2.480 2.164 2.652 . 0 0 "[ . 1 . 2]" 1
1207 1 102 VAL QG 1 104 LYS H 4.800 . 4.800 4.173 3.752 4.467 . 0 0 "[ . 1 . 2]" 1
1208 1 102 VAL QG 1 120 ALA HA 4.150 . 4.150 4.095 3.930 4.212 0.062 10 0 "[ . 1 . 2]" 1
1209 1 102 VAL QG 1 120 ALA H 3.470 . 3.470 2.710 2.474 2.867 . 0 0 "[ . 1 . 2]" 1
1210 1 102 VAL QG 1 121 GLU HA 3.760 . 3.760 2.768 2.305 3.007 . 0 0 "[ . 1 . 2]" 1
1211 1 102 VAL QG 1 121 GLU QG 3.700 . 3.700 2.410 1.775 3.555 0.025 8 0 "[ . 1 . 2]" 1
1212 1 102 VAL QG 1 121 GLU H 3.740 . 3.740 3.786 3.746 3.839 0.099 1 0 "[ . 1 . 2]" 1
1213 1 102 VAL QG 1 122 ALA H 4.670 . 4.670 4.242 3.480 4.558 . 0 0 "[ . 1 . 2]" 1
1214 1 102 VAL MG1 1 103 TRP H 4.350 . 4.350 3.577 2.173 4.072 . 0 0 "[ . 1 . 2]" 1
1215 1 102 VAL MG1 1 121 GLU HA 4.420 . 4.420 4.024 2.581 4.467 0.047 12 0 "[ . 1 . 2]" 1
1216 1 102 VAL MG1 1 121 GLU HG3 6.020 . 6.020 4.591 2.746 6.056 0.036 18 0 "[ . 1 . 2]" 1
1217 1 102 VAL MG1 1 121 GLU HG2 6.020 . 6.020 4.115 2.091 5.872 . 0 0 "[ . 1 . 2]" 1
1218 1 102 VAL MG2 1 103 TRP H 4.350 . 4.350 2.912 2.323 4.175 . 0 0 "[ . 1 . 2]" 1
1219 1 102 VAL MG2 1 121 GLU HA 4.420 . 4.420 2.859 2.446 3.177 . 0 0 "[ . 1 . 2]" 1
1220 1 102 VAL MG2 1 121 GLU HG3 6.020 . 6.020 3.116 1.913 4.609 . 0 0 "[ . 1 . 2]" 1
1221 1 102 VAL MG2 1 121 GLU HG2 6.020 . 6.020 2.946 1.908 5.006 . 0 0 "[ . 1 . 2]" 1
1222 1 103 TRP HA 1 103 TRP HD1 4.710 . 4.710 3.380 3.248 3.527 . 0 0 "[ . 1 . 2]" 1
1223 1 103 TRP HA 1 103 TRP HE3 5.260 . 5.260 4.253 4.028 4.511 . 0 0 "[ . 1 . 2]" 1
1224 1 103 TRP HA 1 104 LYS H 3.170 . 3.170 2.156 2.051 2.224 . 0 0 "[ . 1 . 2]" 1
1225 1 103 TRP QB 1 104 LYS H 3.540 . 3.540 2.829 2.489 3.132 . 0 0 "[ . 1 . 2]" 1
1226 1 103 TRP QB 1 120 ALA MB 3.910 . 3.910 2.094 1.905 2.595 . 0 0 "[ . 1 . 2]" 1
1227 1 103 TRP QB 1 120 ALA H 4.060 . 4.060 3.336 3.106 3.672 . 0 0 "[ . 1 . 2]" 1
1228 1 103 TRP HB3 1 104 LYS H 4.190 . 4.190 2.898 2.529 3.233 . 0 0 "[ . 1 . 2]" 1
1229 1 103 TRP HB2 1 104 LYS H 4.190 . 4.190 3.968 3.717 4.196 0.006 7 0 "[ . 1 . 2]" 1
1230 1 103 TRP HD1 1 104 LYS H 4.570 . 4.570 4.304 4.022 4.611 0.041 11 0 "[ . 1 . 2]" 1
1231 1 103 TRP HE3 1 120 ALA MB 3.600 . 3.600 2.564 2.172 3.283 . 0 0 "[ . 1 . 2]" 1
1232 1 103 TRP HE3 1 120 ALA H 4.800 . 4.800 4.187 3.915 4.594 . 0 0 "[ . 1 . 2]" 1
1233 1 103 TRP HE3 1 121 GLU HA 5.500 . 5.500 3.623 3.116 4.020 . 0 0 "[ . 1 . 2]" 1
1234 1 103 TRP HE3 1 122 ALA MB 4.000 . 4.000 3.898 3.616 4.071 0.071 10 0 "[ . 1 . 2]" 1
1235 1 103 TRP HE3 1 122 ALA H 4.360 . 4.360 3.610 3.180 3.961 . 0 0 "[ . 1 . 2]" 1
1236 1 103 TRP HH2 1 122 ALA MB 4.410 . 4.410 2.796 2.361 3.201 . 0 0 "[ . 1 . 2]" 1
1237 1 103 TRP H 1 103 TRP HB3 4.130 . 4.130 3.677 3.620 3.766 . 0 0 "[ . 1 . 2]" 1
1238 1 103 TRP H 1 103 TRP HB2 4.130 . 4.130 2.511 2.430 2.656 . 0 0 "[ . 1 . 2]" 1
1239 1 103 TRP H 1 103 TRP HE3 3.620 . 3.620 2.257 1.971 2.549 . 0 0 "[ . 1 . 2]" 1
1240 1 103 TRP H 1 103 TRP HZ3 4.760 . 4.760 4.409 4.155 4.701 . 0 0 "[ . 1 . 2]" 1
1241 1 103 TRP H 1 104 LYS H 4.790 . 4.790 4.375 4.275 4.467 . 0 0 "[ . 1 . 2]" 1
1242 1 103 TRP H 1 120 ALA MB 3.880 . 3.880 2.860 2.655 3.063 . 0 0 "[ . 1 . 2]" 1
1243 1 103 TRP H 1 120 ALA H 3.600 . 3.600 2.760 2.563 2.999 . 0 0 "[ . 1 . 2]" 1
1244 1 103 TRP H 1 121 GLU HA 4.400 . 4.400 3.584 3.308 3.807 . 0 0 "[ . 1 . 2]" 1
1245 1 103 TRP HZ3 1 122 ALA MB 3.470 . 3.470 2.050 1.947 2.165 . 0 0 "[ . 1 . 2]" 1
1246 1 103 TRP HZ3 1 122 ALA H 3.900 . 3.900 2.484 2.060 2.950 . 0 0 "[ . 1 . 2]" 1
1247 1 104 LYS HA 1 104 LYS QG 3.510 . 3.510 2.511 2.388 2.752 . 0 0 "[ . 1 . 2]" 1
1248 1 104 LYS HA 1 105 SER H 3.330 . 3.330 2.115 2.009 2.225 . 0 0 "[ . 1 . 2]" 1
1249 1 104 LYS HA 1 117 TRP HD1 4.110 . 4.110 3.711 3.034 4.142 0.032 7 0 "[ . 1 . 2]" 1
1250 1 104 LYS HA 1 119 GLU HA 2.500 . 2.500 2.440 2.203 2.550 0.050 16 0 "[ . 1 . 2]" 1
1251 1 104 LYS HA 1 119 GLU QB 4.860 . 4.860 3.926 3.697 4.096 . 0 0 "[ . 1 . 2]" 1
1252 1 104 LYS HA 1 119 GLU QG 4.080 . 4.080 2.556 2.181 3.069 . 0 0 "[ . 1 . 2]" 1
1253 1 104 LYS HA 1 120 ALA H 3.830 . 3.830 3.668 3.344 3.834 0.004 16 0 "[ . 1 . 2]" 1
1254 1 104 LYS QB 1 105 SER H 4.250 . 4.250 3.195 2.850 3.354 . 0 0 "[ . 1 . 2]" 1
1255 1 104 LYS QB 1 117 TRP HD1 5.240 . 5.240 3.464 2.175 4.046 . 0 0 "[ . 1 . 2]" 1
1256 1 104 LYS QD 1 105 SER H 5.500 . 5.500 5.305 5.004 5.592 0.092 15 0 "[ . 1 . 2]" 1
1257 1 104 LYS QG 1 105 SER H 4.630 . 4.630 4.214 3.922 4.507 . 0 0 "[ . 1 . 2]" 1
1258 1 104 LYS QG 1 119 GLU HA 4.310 . 4.310 3.620 3.238 3.878 . 0 0 "[ . 1 . 2]" 1
1259 1 104 LYS QG 1 119 GLU QG 4.570 . 4.570 2.001 1.877 2.118 . 0 0 "[ . 1 . 2]" 1
1260 1 104 LYS QG 1 120 ALA H 4.300 . 4.300 4.277 4.022 4.414 0.114 5 0 "[ . 1 . 2]" 1
1261 1 104 LYS HG3 1 105 SER H 5.500 . 5.500 4.940 4.301 5.226 . 0 0 "[ . 1 . 2]" 1
1262 1 104 LYS HG2 1 105 SER H 5.500 . 5.500 4.666 4.141 5.409 . 0 0 "[ . 1 . 2]" 1
1263 1 104 LYS H 1 104 LYS QB 3.590 . 3.590 2.566 2.467 2.784 . 0 0 "[ . 1 . 2]" 1
1264 1 104 LYS H 1 104 LYS QD 4.550 . 4.550 3.785 2.251 4.495 . 0 0 "[ . 1 . 2]" 1
1265 1 104 LYS H 1 104 LYS QG 3.610 . 3.610 2.977 2.520 3.652 0.042 4 0 "[ . 1 . 2]" 1
1266 1 104 LYS H 1 105 SER H 4.470 . 4.470 4.220 4.122 4.364 . 0 0 "[ . 1 . 2]" 1
1267 1 105 SER HA 1 106 ALA H 3.000 . 3.000 2.601 2.347 2.778 . 0 0 "[ . 1 . 2]" 1
1268 1 105 SER QB 1 106 ALA H 3.330 . 3.330 2.659 1.896 3.233 . 0 0 "[ . 1 . 2]" 1
1269 1 105 SER QB 1 118 ASP H 4.500 . 4.500 2.183 1.732 3.369 0.068 13 0 "[ . 1 . 2]" 1
1270 1 105 SER HB3 1 106 ALA H 3.930 . 3.930 3.089 2.044 3.639 . 0 0 "[ . 1 . 2]" 1
1271 1 105 SER HB2 1 106 ALA H 3.930 . 3.930 3.265 1.904 3.914 . 0 0 "[ . 1 . 2]" 1
1272 1 105 SER H 1 105 SER QB 3.650 . 3.650 2.327 2.147 2.659 . 0 0 "[ . 1 . 2]" 1
1273 1 105 SER H 1 105 SER HB3 4.160 . 4.160 2.700 2.273 3.598 . 0 0 "[ . 1 . 2]" 1
1274 1 105 SER H 1 105 SER HB2 4.160 . 4.160 2.742 2.363 3.615 . 0 0 "[ . 1 . 2]" 1
1275 1 105 SER H 1 106 ALA H 4.700 . 4.700 4.477 4.304 4.642 . 0 0 "[ . 1 . 2]" 1
1276 1 105 SER H 1 117 TRP QB 4.550 . 4.550 3.218 2.874 3.649 . 0 0 "[ . 1 . 2]" 1
1277 1 105 SER H 1 117 TRP HD1 4.190 . 4.190 3.772 3.205 4.218 0.028 10 0 "[ . 1 . 2]" 1
1278 1 105 SER H 1 118 ASP H 4.250 . 4.250 2.940 2.546 3.335 . 0 0 "[ . 1 . 2]" 1
1279 1 105 SER H 1 119 GLU HA 4.000 . 4.000 3.282 2.931 3.581 . 0 0 "[ . 1 . 2]" 1
1280 1 105 SER H 1 119 GLU QG 4.210 . 4.210 3.780 3.514 4.119 . 0 0 "[ . 1 . 2]" 1
1281 1 105 SER H 1 119 GLU HG3 4.870 . 4.870 4.643 4.234 4.913 0.043 17 0 "[ . 1 . 2]" 1
1282 1 105 SER H 1 119 GLU HG2 4.870 . 4.870 4.014 3.690 4.422 . 0 0 "[ . 1 . 2]" 1
1283 1 105 SER H 1 119 GLU H 5.500 . 5.500 4.855 4.742 4.999 . 0 0 "[ . 1 . 2]" 1
1284 1 105 SER H 1 120 ALA MB 5.500 . 5.500 5.225 4.513 5.495 . 0 0 "[ . 1 . 2]" 1
1285 1 105 SER H 1 120 ALA H 5.500 . 5.500 4.891 4.401 5.250 . 0 0 "[ . 1 . 2]" 1
1286 1 106 ALA HA 1 107 ALA H 2.730 . 2.730 2.176 1.968 2.472 . 0 0 "[ . 1 . 2]" 1
1287 1 106 ALA HA 1 108 GLN QE 4.400 . 4.400 4.173 3.802 4.407 0.007 19 0 "[ . 1 . 2]" 1
1288 1 106 ALA HA 1 108 GLN HE21 5.010 . 5.010 4.585 3.908 5.054 0.044 4 0 "[ . 1 . 2]" 1
1289 1 106 ALA HA 1 108 GLN HE22 5.010 . 5.010 4.914 4.374 5.209 0.199 3 0 "[ . 1 . 2]" 1
1290 1 106 ALA MB 1 107 ALA H 3.010 . 3.010 2.836 2.363 3.090 0.080 2 0 "[ . 1 . 2]" 1
1291 1 106 ALA MB 1 108 GLN QE 3.690 . 3.690 2.179 1.795 2.667 0.005 16 0 "[ . 1 . 2]" 1
1292 1 106 ALA MB 1 108 GLN HE21 4.240 . 4.240 2.476 1.805 3.037 . 0 0 "[ . 1 . 2]" 1
1293 1 106 ALA MB 1 108 GLN HE22 4.240 . 4.240 2.524 2.120 3.475 . 0 0 "[ . 1 . 2]" 1
1294 1 106 ALA H 1 106 ALA MB 2.760 . 2.760 2.239 2.209 2.284 . 0 0 "[ . 1 . 2]" 1
1295 1 106 ALA H 1 108 GLN QE 5.290 . 5.290 3.678 2.502 4.768 . 0 0 "[ . 1 . 2]" 1
1296 1 107 ALA HA 1 108 GLN H 3.000 . 3.000 2.116 1.985 2.206 . 0 0 "[ . 1 . 2]" 1
1297 1 107 ALA MB 1 108 GLN H 3.290 . 3.290 3.044 2.754 3.317 0.027 16 0 "[ . 1 . 2]" 1
1298 1 107 ALA MB 1 115 ILE HB 4.440 . 4.440 2.813 1.920 3.889 . 0 0 "[ . 1 . 2]" 1
1299 1 107 ALA MB 1 115 ILE MG 4.040 . 4.040 2.205 1.769 3.102 0.031 9 0 "[ . 1 . 2]" 1
1300 1 107 ALA MB 1 116 ARG H 4.290 . 4.290 4.166 3.449 4.360 0.070 14 0 "[ . 1 . 2]" 1
1301 1 107 ALA H 1 107 ALA MB 2.880 . 2.880 2.254 2.168 2.330 . 0 0 "[ . 1 . 2]" 1
1302 1 107 ALA H 1 108 GLN H 4.850 . 4.850 4.409 4.063 4.558 . 0 0 "[ . 1 . 2]" 1
1303 1 107 ALA H 1 115 ILE MG 5.500 . 5.500 5.058 4.447 5.552 0.052 6 0 "[ . 1 . 2]" 1
1304 1 108 GLN QE 1 108 GLN QG 3.070 . 3.070 2.094 2.005 2.163 . 0 0 "[ . 1 . 2]" 1
1305 1 108 GLN H 1 108 GLN QB 3.340 . 3.340 2.577 2.334 2.823 . 0 0 "[ . 1 . 2]" 1
1306 1 108 GLN H 1 108 GLN HB3 4.020 . 4.020 3.727 3.591 3.908 . 0 0 "[ . 1 . 2]" 1
1307 1 108 GLN H 1 108 GLN HB2 4.020 . 4.020 2.628 2.365 2.897 . 0 0 "[ . 1 . 2]" 1
1308 1 108 GLN H 1 108 GLN QG 3.600 . 3.600 2.834 2.251 3.668 0.068 10 0 "[ . 1 . 2]" 1
1309 1 108 GLN H 1 115 ILE HB 4.820 . 4.820 4.174 3.278 4.934 0.114 20 0 "[ . 1 . 2]" 1
1310 1 108 GLN H 1 115 ILE QG 5.180 . 5.180 5.149 4.522 5.245 0.065 10 0 "[ . 1 . 2]" 1
1311 1 108 GLN H 1 115 ILE MG 4.240 . 4.240 3.342 2.330 4.281 0.041 16 0 "[ . 1 . 2]" 1
1312 1 108 GLN H 1 116 ARG H 3.740 . 3.740 2.880 2.576 3.025 . 0 0 "[ . 1 . 2]" 1
1313 1 108 GLN H 1 117 TRP QB 4.800 . 4.800 3.631 3.229 4.042 . 0 0 "[ . 1 . 2]" 1
1314 1 109 ARG HA 1 110 SER H 3.370 . 3.370 2.098 1.965 2.361 . 0 0 "[ . 1 . 2]" 1
1315 1 109 ARG HA 1 115 ILE MG 4.380 . 4.380 2.483 1.987 3.539 . 0 0 "[ . 1 . 2]" 1
1316 1 109 ARG QB 1 109 ARG QD 2.930 . 2.930 2.255 2.051 2.406 . 0 0 "[ . 1 . 2]" 1
1317 1 109 ARG QB 1 110 SER H 3.780 . 3.780 3.212 2.481 3.800 0.020 13 0 "[ . 1 . 2]" 1
1318 1 109 ARG HB3 1 110 SER H 4.370 . 4.370 3.622 2.577 4.350 . 0 0 "[ . 1 . 2]" 1
1319 1 109 ARG HB2 1 110 SER H 4.370 . 4.370 3.900 2.514 4.384 0.014 20 0 "[ . 1 . 2]" 1
1320 1 109 ARG QG 1 110 SER H 4.770 . 4.770 3.775 2.584 4.359 . 0 0 "[ . 1 . 2]" 1
1321 1 109 ARG HG3 1 110 SER H 5.500 . 5.500 4.405 2.795 5.477 . 0 0 "[ . 1 . 2]" 1
1322 1 109 ARG HG2 1 110 SER H 5.500 . 5.500 4.281 2.807 5.525 0.025 20 0 "[ . 1 . 2]" 1
1323 1 110 SER QB 1 115 ILE MG 4.970 . 4.970 4.618 3.631 5.074 0.104 10 0 "[ . 1 . 2]" 1
1324 1 110 SER H 1 115 ILE MG 4.630 . 4.630 3.737 3.095 4.299 . 0 0 "[ . 1 . 2]" 1
1325 1 112 ASP QB 1 114 LYS QB 4.670 . 4.670 3.533 2.792 4.370 . 0 0 "[ . 1 . 2]" 1
1326 1 112 ASP QB 1 114 LYS QD 3.660 . 3.660 3.374 2.352 3.725 0.065 11 0 "[ . 1 . 2]" 1
1327 1 112 ASP QB 1 114 LYS QG 3.290 . 3.290 2.201 1.800 3.289 . 0 0 "[ . 1 . 2]" 1
1328 1 112 ASP QB 1 114 LYS H 4.290 . 4.290 2.941 2.223 3.654 . 0 0 "[ . 1 . 2]" 1
1329 1 113 GLN QB 1 113 GLN QE 3.400 . 3.400 2.523 1.856 3.437 0.037 1 0 "[ . 1 . 2]" 1
1330 1 113 GLN HB3 1 113 GLN HE22 4.930 . 4.930 4.068 3.541 4.857 . 0 0 "[ . 1 . 2]" 1
1331 1 113 GLN HB2 1 113 GLN HE22 4.930 . 4.930 3.981 3.476 4.615 . 0 0 "[ . 1 . 2]" 1
1332 1 113 GLN H 1 113 GLN QG 4.610 . 4.610 3.730 2.867 4.286 . 0 0 "[ . 1 . 2]" 1
1333 1 113 GLN H 1 114 LYS H 4.530 . 4.530 2.516 2.352 2.668 . 0 0 "[ . 1 . 2]" 1
1334 1 114 LYS QB 1 115 ILE H 3.270 . 3.270 2.363 2.041 3.259 . 0 0 "[ . 1 . 2]" 1
1335 1 114 LYS QB 1 147 TYR QB 4.260 . 4.260 2.549 1.857 4.284 0.024 10 0 "[ . 1 . 2]" 1
1336 1 114 LYS QB 1 147 TYR QD 4.710 . 4.710 3.016 1.914 4.454 . 0 0 "[ . 1 . 2]" 1
1337 1 114 LYS QB 1 147 TYR H 4.520 . 4.520 3.022 2.435 3.541 . 0 0 "[ . 1 . 2]" 1
1338 1 114 LYS HB3 1 147 TYR H 5.180 . 5.180 3.138 2.499 3.628 . 0 0 "[ . 1 . 2]" 1
1339 1 114 LYS HB2 1 147 TYR H 5.180 . 5.180 4.026 3.338 4.975 . 0 0 "[ . 1 . 2]" 1
1340 1 114 LYS QD 1 115 ILE H 4.160 . 4.160 4.076 3.650 4.215 0.055 17 0 "[ . 1 . 2]" 1
1341 1 114 LYS QD 1 147 TYR H 5.500 . 5.500 3.822 2.824 5.137 . 0 0 "[ . 1 . 2]" 1
1342 1 114 LYS QG 1 115 ILE H 4.640 . 4.640 3.446 3.042 4.625 . 0 0 "[ . 1 . 2]" 1
1343 1 114 LYS QG 1 147 TYR H 5.340 . 5.340 4.623 2.513 5.384 0.044 2 0 "[ . 1 . 2]" 1
1344 1 114 LYS H 1 114 LYS QB 3.490 . 3.490 2.907 2.565 3.223 . 0 0 "[ . 1 . 2]" 1
1345 1 114 LYS H 1 114 LYS QD 4.560 . 4.560 4.176 3.699 4.447 . 0 0 "[ . 1 . 2]" 1
1346 1 114 LYS H 1 114 LYS HG3 4.120 . 4.120 3.144 2.552 3.372 . 0 0 "[ . 1 . 2]" 1
1347 1 114 LYS H 1 114 LYS HG2 4.120 . 4.120 2.564 2.112 4.036 . 0 0 "[ . 1 . 2]" 1
1348 1 114 LYS H 1 115 ILE H 4.760 . 4.760 4.422 4.013 4.556 . 0 0 "[ . 1 . 2]" 1
1349 1 115 ILE HA 1 116 ARG H 3.120 . 3.120 2.184 2.074 2.423 . 0 0 "[ . 1 . 2]" 1
1350 1 115 ILE HB 1 116 ARG H 3.870 . 3.870 3.279 2.283 3.893 0.023 10 0 "[ . 1 . 2]" 1
1351 1 115 ILE MD 1 116 ARG H 5.000 . 5.000 4.867 4.253 5.032 0.032 14 0 "[ . 1 . 2]" 1
1352 1 115 ILE MD 1 145 ALA H 5.500 . 5.500 4.743 3.772 5.551 0.051 3 0 "[ . 1 . 2]" 1
1353 1 115 ILE MD 1 115 ILE MG 3.930 . 3.930 2.463 1.901 3.218 . 0 0 "[ . 1 . 2]" 1
1354 1 115 ILE MG 1 116 ARG H 3.720 . 3.720 2.973 2.193 3.702 . 0 0 "[ . 1 . 2]" 1
1355 1 115 ILE H 1 115 ILE HB 3.950 . 3.950 3.305 2.735 3.808 . 0 0 "[ . 1 . 2]" 1
1356 1 115 ILE H 1 115 ILE MD 4.040 . 4.040 2.893 1.759 3.971 0.041 13 0 "[ . 1 . 2]" 1
1357 1 115 ILE H 1 115 ILE QG 4.100 . 4.100 2.670 1.830 3.577 . 0 0 "[ . 1 . 2]" 1
1358 1 115 ILE H 1 115 ILE HG13 4.890 . 4.890 3.148 2.203 4.055 . 0 0 "[ . 1 . 2]" 1
1359 1 115 ILE H 1 115 ILE HG12 4.890 . 4.890 3.199 1.868 4.496 . 0 0 "[ . 1 . 2]" 1
1360 1 115 ILE H 1 115 ILE MG 4.050 . 4.050 3.472 2.817 3.971 . 0 0 "[ . 1 . 2]" 1
1361 1 115 ILE H 1 116 ARG H 4.950 . 4.950 4.365 4.261 4.488 . 0 0 "[ . 1 . 2]" 1
1362 1 115 ILE H 1 145 ALA H 5.000 . 5.000 3.946 3.002 5.011 0.011 16 0 "[ . 1 . 2]" 1
1363 1 117 TRP HA 1 118 ASP QB 5.340 . 5.340 4.702 4.285 4.848 . 0 0 "[ . 1 . 2]" 1
1364 1 117 TRP HA 1 118 ASP H 3.280 . 3.280 2.483 2.193 2.610 . 0 0 "[ . 1 . 2]" 1
1365 1 117 TRP QB 1 118 ASP H 3.350 . 3.350 2.315 2.093 2.699 . 0 0 "[ . 1 . 2]" 1
1366 1 117 TRP HB3 1 118 ASP H 3.890 . 3.890 3.689 3.472 3.910 0.020 13 0 "[ . 1 . 2]" 1
1367 1 117 TRP HB2 1 118 ASP H 3.890 . 3.890 2.340 2.110 2.751 . 0 0 "[ . 1 . 2]" 1
1368 1 117 TRP HD1 1 118 ASP HA 4.520 . 4.520 3.791 3.353 4.406 . 0 0 "[ . 1 . 2]" 1
1369 1 117 TRP HD1 1 118 ASP H 4.170 . 4.170 3.462 3.054 3.963 . 0 0 "[ . 1 . 2]" 1
1370 1 117 TRP HD1 1 119 GLU HA 4.250 . 4.250 3.827 3.618 4.054 . 0 0 "[ . 1 . 2]" 1
1371 1 117 TRP HD1 1 119 GLU QB 4.860 . 4.860 3.933 3.642 4.382 . 0 0 "[ . 1 . 2]" 1
1372 1 117 TRP HD1 1 119 GLU HG3 3.840 . 3.840 2.033 1.862 2.661 . 0 0 "[ . 1 . 2]" 1
1373 1 117 TRP HD1 1 119 GLU HG2 3.840 . 3.840 2.673 2.213 3.377 . 0 0 "[ . 1 . 2]" 1
1374 1 117 TRP HH2 1 145 ALA H 4.680 . 4.680 3.217 2.321 4.093 . 0 0 "[ . 1 . 2]" 1
1375 1 117 TRP H 1 118 ASP H 4.470 . 4.470 4.281 4.144 4.426 . 0 0 "[ . 1 . 2]" 1
1376 1 117 TRP H 1 143 LYS HA 5.280 . 5.280 4.806 4.619 5.040 . 0 0 "[ . 1 . 2]" 1
1377 1 117 TRP H 1 143 LYS QB 5.170 . 5.170 3.800 3.240 4.382 . 0 0 "[ . 1 . 2]" 1
1378 1 117 TRP H 1 144 ALA HA 4.740 . 4.740 3.497 3.026 3.966 . 0 0 "[ . 1 . 2]" 1
1379 1 117 TRP H 1 144 ALA MB 4.540 . 4.540 3.861 3.340 4.451 . 0 0 "[ . 1 . 2]" 1
1380 1 117 TRP HZ2 1 145 ALA H 4.400 . 4.400 4.311 3.483 4.501 0.101 8 0 "[ . 1 . 2]" 1
1381 1 117 TRP HZ3 1 145 ALA H 5.500 . 5.500 3.537 2.219 4.833 . 0 0 "[ . 1 . 2]" 1
1382 1 118 ASP HA 1 119 GLU H 3.000 . 3.000 2.176 2.023 2.258 . 0 0 "[ . 1 . 2]" 1
1383 1 118 ASP HA 1 141 MET HA 2.600 . 2.600 2.480 2.015 2.665 0.065 1 0 "[ . 1 . 2]" 1
1384 1 118 ASP HA 1 142 SER H 3.600 . 3.600 2.471 2.234 3.002 . 0 0 "[ . 1 . 2]" 1
1385 1 118 ASP HA 1 143 LYS H 4.240 . 4.240 3.082 2.274 4.151 . 0 0 "[ . 1 . 2]" 1
1386 1 118 ASP QB 1 119 GLU H 3.290 . 3.290 2.905 2.726 3.067 . 0 0 "[ . 1 . 2]" 1
1387 1 118 ASP QB 1 141 MET HA 4.110 . 4.110 2.137 1.800 2.613 0.000 14 0 "[ . 1 . 2]" 1
1388 1 118 ASP QB 1 142 SER H 4.210 . 4.210 3.242 2.462 4.267 0.057 13 0 "[ . 1 . 2]" 1
1389 1 118 ASP HB3 1 119 GLU H 3.790 . 3.790 3.122 2.825 3.783 . 0 0 "[ . 1 . 2]" 1
1390 1 118 ASP HB3 1 140 ILE H 5.500 . 5.500 4.543 4.202 5.576 0.076 15 0 "[ . 1 . 2]" 1
1391 1 118 ASP HB2 1 119 GLU H 3.790 . 3.790 3.647 2.799 3.799 0.009 7 0 "[ . 1 . 2]" 1
1392 1 118 ASP HB2 1 140 ILE H 5.500 . 5.500 5.388 3.716 5.616 0.116 19 0 "[ . 1 . 2]" 1
1393 1 118 ASP H 1 118 ASP QB 3.450 . 3.450 2.796 2.602 3.113 . 0 0 "[ . 1 . 2]" 1
1394 1 118 ASP H 1 118 ASP HB3 3.950 . 3.950 3.712 3.308 3.866 . 0 0 "[ . 1 . 2]" 1
1395 1 118 ASP H 1 118 ASP HB2 3.950 . 3.950 2.931 2.668 3.738 . 0 0 "[ . 1 . 2]" 1
1396 1 118 ASP H 1 119 GLU H 4.590 . 4.590 4.350 4.253 4.457 . 0 0 "[ . 1 . 2]" 1
1397 1 118 ASP H 1 141 MET HA 5.170 . 5.170 4.930 4.342 5.153 . 0 0 "[ . 1 . 2]" 1
1398 1 119 GLU HA 1 119 GLU HG3 4.190 . 4.190 3.059 2.837 3.289 . 0 0 "[ . 1 . 2]" 1
1399 1 119 GLU HA 1 119 GLU HG2 4.190 . 4.190 2.418 2.280 2.528 . 0 0 "[ . 1 . 2]" 1
1400 1 119 GLU HA 1 120 ALA MB 5.500 . 5.500 3.735 3.649 3.853 . 0 0 "[ . 1 . 2]" 1
1401 1 119 GLU HA 1 120 ALA H 3.000 . 3.000 2.168 2.095 2.250 . 0 0 "[ . 1 . 2]" 1
1402 1 119 GLU QB 1 120 ALA H 3.660 . 3.660 2.605 2.420 2.835 . 0 0 "[ . 1 . 2]" 1
1403 1 119 GLU QB 1 140 ILE MD 4.210 . 4.210 2.257 2.042 2.606 . 0 0 "[ . 1 . 2]" 1
1404 1 119 GLU QB 1 140 ILE QG 4.290 . 4.290 2.005 1.858 2.305 . 0 0 "[ . 1 . 2]" 1
1405 1 119 GLU QB 1 140 ILE H 4.570 . 4.570 3.846 3.666 4.051 . 0 0 "[ . 1 . 2]" 1
1406 1 119 GLU QB 1 143 LYS QB 3.910 . 3.910 3.687 3.011 3.969 0.059 6 0 "[ . 1 . 2]" 1
1407 1 119 GLU QG 1 120 ALA H 3.910 . 3.910 3.688 3.265 3.918 0.008 13 0 "[ . 1 . 2]" 1
1408 1 119 GLU H 1 119 GLU HB3 3.880 . 3.880 3.819 3.763 3.894 0.014 2 0 "[ . 1 . 2]" 1
1409 1 119 GLU H 1 119 GLU HB2 3.880 . 3.880 2.705 2.614 2.788 . 0 0 "[ . 1 . 2]" 1
1410 1 119 GLU H 1 140 ILE HB 4.970 . 4.970 4.238 3.944 4.449 . 0 0 "[ . 1 . 2]" 1
1411 1 119 GLU H 1 140 ILE QG 4.770 . 4.770 2.451 2.226 2.651 . 0 0 "[ . 1 . 2]" 1
1412 1 119 GLU H 1 140 ILE H 3.600 . 3.600 3.209 3.039 3.335 . 0 0 "[ . 1 . 2]" 1
1413 1 119 GLU H 1 141 MET HA 3.600 . 3.600 3.366 3.045 3.621 0.021 8 0 "[ . 1 . 2]" 1
1414 1 119 GLU H 1 142 SER H 4.000 . 4.000 4.071 3.751 4.203 0.203 2 0 "[ . 1 . 2]" 1
1415 1 120 ALA HA 1 121 GLU H 2.940 . 2.940 2.114 2.035 2.173 . 0 0 "[ . 1 . 2]" 1
1416 1 120 ALA HA 1 139 PHE HA 2.500 . 2.500 2.251 2.151 2.404 . 0 0 "[ . 1 . 2]" 1
1417 1 120 ALA HA 1 139 PHE QD 4.250 . 4.250 2.693 2.566 2.820 . 0 0 "[ . 1 . 2]" 1
1418 1 120 ALA HA 1 139 PHE QE 4.540 . 4.540 4.094 4.041 4.241 . 0 0 "[ . 1 . 2]" 1
1419 1 120 ALA HA 1 140 ILE QG 4.700 . 4.700 3.781 3.563 3.878 . 0 0 "[ . 1 . 2]" 1
1420 1 120 ALA HA 1 140 ILE H 3.600 . 3.600 3.266 3.179 3.364 . 0 0 "[ . 1 . 2]" 1
1421 1 120 ALA MB 1 121 GLU H 3.560 . 3.560 3.199 3.105 3.268 . 0 0 "[ . 1 . 2]" 1
1422 1 120 ALA MB 1 139 PHE HA 4.030 . 4.030 3.257 3.148 3.406 . 0 0 "[ . 1 . 2]" 1
1423 1 120 ALA MB 1 139 PHE QD 3.590 . 3.590 1.986 1.895 2.062 . 0 0 "[ . 1 . 2]" 1
1424 1 120 ALA MB 1 139 PHE QE 3.700 . 3.700 2.133 2.050 2.290 . 0 0 "[ . 1 . 2]" 1
1425 1 120 ALA MB 1 140 ILE H 4.090 . 4.090 4.129 4.061 4.189 0.099 8 0 "[ . 1 . 2]" 1
1426 1 120 ALA H 1 120 ALA MB 3.360 . 3.360 2.498 2.409 2.553 . 0 0 "[ . 1 . 2]" 1
1427 1 120 ALA H 1 140 ILE QG 5.190 . 5.190 4.435 4.196 4.615 . 0 0 "[ . 1 . 2]" 1
1428 1 121 GLU HA 1 122 ALA MB 4.890 . 4.890 4.025 3.778 4.206 . 0 0 "[ . 1 . 2]" 1
1429 1 121 GLU HA 1 122 ALA H 3.000 . 3.000 2.126 1.951 2.266 . 0 0 "[ . 1 . 2]" 1
1430 1 121 GLU QB 1 122 ALA H 4.080 . 4.080 3.546 3.267 3.929 . 0 0 "[ . 1 . 2]" 1
1431 1 121 GLU H 1 122 ALA H 5.040 . 5.040 4.104 4.037 4.261 . 0 0 "[ . 1 . 2]" 1
1432 1 121 GLU H 1 123 TYR QE 4.800 . 4.800 4.778 4.510 4.866 0.066 19 0 "[ . 1 . 2]" 1
1433 1 121 GLU H 1 137 VAL QG 4.800 . 4.800 4.505 3.288 4.843 0.043 1 0 "[ . 1 . 2]" 1
1434 1 121 GLU H 1 138 LYS H 3.600 . 3.600 3.039 2.883 3.182 . 0 0 "[ . 1 . 2]" 1
1435 1 121 GLU H 1 139 PHE HA 3.680 . 3.680 3.415 3.049 3.625 . 0 0 "[ . 1 . 2]" 1
1436 1 121 GLU H 1 139 PHE QD 4.420 . 4.420 4.213 4.026 4.373 . 0 0 "[ . 1 . 2]" 1
1437 1 121 GLU H 1 139 PHE QE 4.880 . 4.880 4.931 4.879 4.975 0.095 12 0 "[ . 1 . 2]" 1
1438 1 121 GLU H 1 140 ILE MD 5.050 . 5.050 5.019 4.679 5.099 0.049 1 0 "[ . 1 . 2]" 1
1439 1 121 GLU H 1 140 ILE QG 4.550 . 4.550 4.298 3.908 4.442 . 0 0 "[ . 1 . 2]" 1
1440 1 121 GLU H 1 140 ILE H 5.380 . 5.380 4.626 4.395 4.807 . 0 0 "[ . 1 . 2]" 1
1441 1 122 ALA HA 1 123 TYR QD 4.020 . 4.020 3.355 3.019 3.584 . 0 0 "[ . 1 . 2]" 1
1442 1 122 ALA HA 1 123 TYR QE 4.560 . 4.560 4.536 4.192 4.627 0.067 16 0 "[ . 1 . 2]" 1
1443 1 122 ALA HA 1 123 TYR H 3.000 . 3.000 2.149 2.084 2.189 . 0 0 "[ . 1 . 2]" 1
1444 1 122 ALA HA 1 137 VAL HA 2.500 . 2.500 2.156 2.019 2.273 . 0 0 "[ . 1 . 2]" 1
1445 1 122 ALA HA 1 137 VAL HB 4.650 . 4.650 2.692 2.203 4.424 . 0 0 "[ . 1 . 2]" 1
1446 1 122 ALA HA 1 137 VAL MG1 3.800 . 3.800 2.157 2.060 2.359 . 0 0 "[ . 1 . 2]" 1
1447 1 122 ALA HA 1 137 VAL MG2 3.800 . 3.800 3.622 2.616 3.890 0.090 12 0 "[ . 1 . 2]" 1
1448 1 122 ALA MB 1 123 TYR H 3.310 . 3.310 3.027 2.826 3.282 . 0 0 "[ . 1 . 2]" 1
1449 1 122 ALA MB 1 124 ILE H 5.500 . 5.500 4.685 4.473 5.003 . 0 0 "[ . 1 . 2]" 1
1450 1 122 ALA MB 1 137 VAL QG 3.940 . 3.940 2.093 2.054 2.148 . 0 0 "[ . 1 . 2]" 1
1451 1 122 ALA MB 1 137 VAL H 5.500 . 5.500 5.532 5.494 5.576 0.076 14 0 "[ . 1 . 2]" 1
1452 1 122 ALA MB 1 138 LYS H 4.820 . 4.820 4.379 4.190 4.533 . 0 0 "[ . 1 . 2]" 1
1453 1 122 ALA H 1 122 ALA MB 3.250 . 3.250 2.321 2.223 2.479 . 0 0 "[ . 1 . 2]" 1
1454 1 122 ALA H 1 123 TYR H 4.480 . 4.480 4.430 4.324 4.485 0.005 10 0 "[ . 1 . 2]" 1
1455 1 122 ALA H 1 137 VAL QG 4.710 . 4.710 4.192 3.600 4.442 . 0 0 "[ . 1 . 2]" 1
1456 1 122 ALA H 1 137 VAL MG1 5.500 . 5.500 4.348 3.699 4.647 . 0 0 "[ . 1 . 2]" 1
1457 1 122 ALA H 1 137 VAL MG2 5.500 . 5.500 5.504 4.927 5.660 0.160 5 0 "[ . 1 . 2]" 1
1458 1 123 TYR HA 1 123 TYR QD 4.040 . 4.040 3.094 2.943 3.310 . 0 0 "[ . 1 . 2]" 1
1459 1 123 TYR HA 1 123 TYR QE 4.950 . 4.950 4.851 4.714 5.002 0.052 11 0 "[ . 1 . 2]" 1
1460 1 123 TYR HA 1 124 ILE QG 5.010 . 5.010 3.863 3.774 4.000 . 0 0 "[ . 1 . 2]" 1
1461 1 123 TYR HA 1 124 ILE H 3.250 . 3.250 2.132 2.069 2.246 . 0 0 "[ . 1 . 2]" 1
1462 1 123 TYR QB 1 124 ILE H 3.990 . 3.990 3.324 3.124 3.433 . 0 0 "[ . 1 . 2]" 1
1463 1 123 TYR QB 1 136 SER H 3.830 . 3.830 2.378 2.089 2.596 . 0 0 "[ . 1 . 2]" 1
1464 1 123 TYR HB3 1 124 ILE H 4.580 . 4.580 3.496 3.257 3.623 . 0 0 "[ . 1 . 2]" 1
1465 1 123 TYR HB3 1 136 SER H 4.610 . 4.610 3.839 3.496 4.056 . 0 0 "[ . 1 . 2]" 1
1466 1 123 TYR HB2 1 124 ILE H 4.580 . 4.580 4.160 4.016 4.253 . 0 0 "[ . 1 . 2]" 1
1467 1 123 TYR HB2 1 136 SER H 4.610 . 4.610 2.402 2.105 2.627 . 0 0 "[ . 1 . 2]" 1
1468 1 123 TYR QD 1 124 ILE H 4.640 . 4.640 4.628 4.479 4.704 0.064 5 0 "[ . 1 . 2]" 1
1469 1 123 TYR QD 1 136 SER QB 3.910 . 3.910 2.949 2.317 3.551 . 0 0 "[ . 1 . 2]" 1
1470 1 123 TYR QD 1 136 SER H 4.580 . 4.580 3.807 3.585 4.139 . 0 0 "[ . 1 . 2]" 1
1471 1 123 TYR QD 1 137 VAL HB 4.530 . 4.530 4.562 4.367 4.761 0.231 14 0 "[ . 1 . 2]" 1
1472 1 123 TYR QD 1 137 VAL QG 4.150 . 4.150 3.732 3.523 3.942 . 0 0 "[ . 1 . 2]" 1
1473 1 123 TYR QD 1 137 VAL MG1 5.050 . 5.050 3.960 3.804 4.140 . 0 0 "[ . 1 . 2]" 1
1474 1 123 TYR QD 1 137 VAL MG2 5.050 . 5.050 4.722 3.858 5.022 . 0 0 "[ . 1 . 2]" 1
1475 1 123 TYR QD 1 138 LYS H 4.550 . 4.550 3.509 3.226 3.818 . 0 0 "[ . 1 . 2]" 1
1476 1 123 TYR QE 1 136 SER QB 5.340 . 5.340 4.094 3.494 4.689 . 0 0 "[ . 1 . 2]" 1
1477 1 123 TYR QE 1 138 LYS H 4.540 . 4.540 3.021 2.518 3.579 . 0 0 "[ . 1 . 2]" 1
1478 1 123 TYR H 1 123 TYR HB3 3.730 . 3.730 3.674 3.629 3.716 . 0 0 "[ . 1 . 2]" 1
1479 1 123 TYR H 1 123 TYR HB2 3.730 . 3.730 2.567 2.507 2.638 . 0 0 "[ . 1 . 2]" 1
1480 1 123 TYR H 1 123 TYR QD 3.420 . 3.420 2.408 2.037 2.569 . 0 0 "[ . 1 . 2]" 1
1481 1 123 TYR H 1 123 TYR QE 4.570 . 4.570 4.433 4.194 4.572 0.002 12 0 "[ . 1 . 2]" 1
1482 1 123 TYR H 1 124 ILE QG 4.490 . 4.490 4.108 3.915 4.256 . 0 0 "[ . 1 . 2]" 1
1483 1 123 TYR H 1 124 ILE HG13 5.270 . 5.270 4.370 4.106 4.523 . 0 0 "[ . 1 . 2]" 1
1484 1 123 TYR H 1 124 ILE HG12 5.270 . 5.270 5.000 4.837 5.270 0.000 1 0 "[ . 1 . 2]" 1
1485 1 123 TYR H 1 124 ILE H 4.560 . 4.560 4.191 4.097 4.366 . 0 0 "[ . 1 . 2]" 1
1486 1 123 TYR H 1 136 SER QB 4.950 . 4.950 4.333 3.928 4.874 . 0 0 "[ . 1 . 2]" 1
1487 1 123 TYR H 1 136 SER H 3.600 . 3.600 3.285 3.139 3.386 . 0 0 "[ . 1 . 2]" 1
1488 1 123 TYR H 1 137 VAL HB 5.500 . 5.500 4.113 3.800 5.087 . 0 0 "[ . 1 . 2]" 1
1489 1 123 TYR H 1 137 VAL QG 4.100 . 4.100 2.577 2.400 2.898 . 0 0 "[ . 1 . 2]" 1
1490 1 123 TYR H 1 138 LYS H 4.400 . 4.400 4.371 4.077 4.466 0.066 14 0 "[ . 1 . 2]" 1
1491 1 124 ILE HA 1 124 ILE QG 3.330 . 3.330 2.478 2.368 2.532 . 0 0 "[ . 1 . 2]" 1
1492 1 124 ILE HA 1 124 ILE HG13 3.790 . 3.790 3.175 3.067 3.270 . 0 0 "[ . 1 . 2]" 1
1493 1 124 ILE HA 1 124 ILE HG12 3.790 . 3.790 2.586 2.461 2.649 . 0 0 "[ . 1 . 2]" 1
1494 1 124 ILE HA 1 125 TRP H 3.590 . 3.590 2.334 2.240 2.387 . 0 0 "[ . 1 . 2]" 1
1495 1 124 ILE HA 1 135 HIS HA 4.400 . 4.400 4.447 4.382 4.484 0.084 2 0 "[ . 1 . 2]" 1
1496 1 124 ILE HA 1 135 HIS H 4.000 . 4.000 1.958 1.839 2.025 . 0 0 "[ . 1 . 2]" 1
1497 1 124 ILE MD 1 134 LEU H 4.920 . 4.920 4.969 4.953 4.998 0.078 17 0 "[ . 1 . 2]" 1
1498 1 124 ILE QG 1 125 TRP HE3 5.340 . 5.340 5.330 5.242 5.404 0.064 19 0 "[ . 1 . 2]" 1
1499 1 124 ILE QG 1 125 TRP H 4.550 . 4.550 4.196 4.091 4.346 . 0 0 "[ . 1 . 2]" 1
1500 1 124 ILE QG 1 136 SER H 4.750 . 4.750 4.694 4.435 4.788 0.038 15 0 "[ . 1 . 2]" 1
1501 1 124 ILE QG 1 137 VAL QG 4.350 . 4.350 3.954 3.580 4.375 0.025 10 0 "[ . 1 . 2]" 1
1502 1 124 ILE MD 1 124 ILE MG 3.700 . 3.700 1.840 1.802 1.905 . 0 0 "[ . 1 . 2]" 1
1503 1 124 ILE QG 1 124 ILE MG 3.130 . 3.130 2.371 2.291 2.405 . 0 0 "[ . 1 . 2]" 1
1504 1 124 ILE HG13 1 124 ILE MG 3.720 . 3.720 3.201 3.177 3.216 . 0 0 "[ . 1 . 2]" 1
1505 1 124 ILE HG12 1 124 ILE MG 3.720 . 3.720 2.444 2.349 2.485 . 0 0 "[ . 1 . 2]" 1
1506 1 124 ILE MG 1 134 LEU HA 3.590 . 3.590 2.680 2.317 3.184 . 0 0 "[ . 1 . 2]" 1
1507 1 124 ILE MG 1 134 LEU H 4.660 . 4.660 3.748 3.411 4.046 . 0 0 "[ . 1 . 2]" 1
1508 1 124 ILE MG 1 135 HIS H 4.260 . 4.260 3.795 3.624 3.901 . 0 0 "[ . 1 . 2]" 1
1509 1 124 ILE H 1 124 ILE HB 3.560 . 3.560 2.600 2.494 2.725 . 0 0 "[ . 1 . 2]" 1
1510 1 124 ILE H 1 124 ILE MD 4.610 . 4.610 4.067 3.958 4.224 . 0 0 "[ . 1 . 2]" 1
1511 1 124 ILE H 1 124 ILE QG 3.510 . 3.510 2.751 2.624 2.942 . 0 0 "[ . 1 . 2]" 1
1512 1 124 ILE H 1 124 ILE MG 4.510 . 4.510 3.864 3.789 3.933 . 0 0 "[ . 1 . 2]" 1
1513 1 124 ILE H 1 125 TRP H 4.790 . 4.790 4.460 4.352 4.522 . 0 0 "[ . 1 . 2]" 1
1514 1 125 TRP QB 1 126 ARG H 4.340 . 4.340 2.895 2.637 3.062 . 0 0 "[ . 1 . 2]" 1
1515 1 125 TRP HD1 1 126 ARG H 4.440 . 4.440 3.816 3.404 4.187 . 0 0 "[ . 1 . 2]" 1
1516 1 125 TRP HD1 1 127 ARG QG 5.340 . 5.340 4.830 3.647 5.326 . 0 0 "[ . 1 . 2]" 1
1517 1 125 TRP HE1 1 127 ARG QB 4.410 . 4.410 3.691 2.923 4.414 0.004 11 0 "[ . 1 . 2]" 1
1518 1 125 TRP H 1 125 TRP HZ3 4.540 . 4.540 4.223 4.054 4.420 . 0 0 "[ . 1 . 2]" 1
1519 1 125 TRP HZ3 1 134 LEU H 4.000 . 4.000 4.057 4.023 4.092 0.092 4 0 "[ . 1 . 2]" 1
1520 1 126 ARG HA 1 126 ARG QG 3.740 . 3.740 2.541 2.176 3.336 . 0 0 "[ . 1 . 2]" 1
1521 1 126 ARG HA 1 127 ARG H 3.280 . 3.280 2.047 1.934 2.239 . 0 0 "[ . 1 . 2]" 1
1522 1 126 ARG HA 1 132 CYS HA 4.300 . 4.300 2.188 1.870 2.750 . 0 0 "[ . 1 . 2]" 1
1523 1 126 ARG HA 1 132 CYS QB 5.500 . 5.500 3.033 2.348 4.153 . 0 0 "[ . 1 . 2]" 1
1524 1 126 ARG HA 1 133 TRP H 5.020 . 5.020 3.489 2.692 4.039 . 0 0 "[ . 1 . 2]" 1
1525 1 126 ARG QG 1 127 ARG H 3.540 . 3.540 3.184 2.443 3.702 0.162 16 0 "[ . 1 . 2]" 1
1526 1 126 ARG H 1 127 ARG H 4.370 . 4.370 4.279 4.085 4.412 0.042 11 0 "[ . 1 . 2]" 1
1527 1 127 ARG QB 1 129 ASP H 3.690 . 3.690 3.039 2.075 3.577 . 0 0 "[ . 1 . 2]" 1
1528 1 127 ARG QB 1 130 GLY H 3.960 . 3.960 3.404 2.853 3.762 . 0 0 "[ . 1 . 2]" 1
1529 1 127 ARG QB 1 131 SER QB 4.340 . 4.340 3.250 1.945 3.932 . 0 0 "[ . 1 . 2]" 1
1530 1 127 ARG QB 1 131 SER H 3.530 . 3.530 2.963 2.443 3.423 . 0 0 "[ . 1 . 2]" 1
1531 1 127 ARG QB 1 132 CYS H 4.820 . 4.820 4.640 3.859 4.948 0.128 4 0 "[ . 1 . 2]" 1
1532 1 127 ARG QG 1 130 GLY H 4.790 . 4.790 4.056 3.447 4.881 0.091 12 0 "[ . 1 . 2]" 1
1533 1 127 ARG QG 1 131 SER H 4.990 . 4.990 4.205 3.504 4.920 . 0 0 "[ . 1 . 2]" 1
1534 1 127 ARG H 1 127 ARG QB 3.200 . 3.200 2.196 2.065 2.477 . 0 0 "[ . 1 . 2]" 1
1535 1 127 ARG H 1 127 ARG HB3 3.870 . 3.870 2.625 2.195 3.674 . 0 0 "[ . 1 . 2]" 1
1536 1 127 ARG H 1 127 ARG HB2 3.870 . 3.870 2.480 2.173 2.807 . 0 0 "[ . 1 . 2]" 1
1537 1 127 ARG H 1 131 SER H 4.280 . 4.280 4.199 3.646 4.346 0.066 17 0 "[ . 1 . 2]" 1
1538 1 127 ARG H 1 132 CYS HA 4.050 . 4.050 2.430 2.069 3.054 . 0 0 "[ . 1 . 2]" 1
1539 1 127 ARG H 1 133 TRP H 4.850 . 4.850 3.941 2.995 4.730 . 0 0 "[ . 1 . 2]" 1
1540 1 128 LYS QB 1 129 ASP H 4.500 . 4.500 3.180 2.751 3.859 . 0 0 "[ . 1 . 2]" 1
1541 1 128 LYS QB 1 130 GLY H 5.300 . 5.300 4.620 4.436 4.883 . 0 0 "[ . 1 . 2]" 1
1542 1 128 LYS QG 1 130 GLY H 5.150 . 5.150 4.812 4.274 5.219 0.069 15 0 "[ . 1 . 2]" 1
1543 1 129 ASP QB 1 130 GLY H 4.370 . 4.370 3.186 2.926 3.734 . 0 0 "[ . 1 . 2]" 1
1544 1 129 ASP QB 1 131 SER H 4.070 . 4.070 2.926 2.524 3.836 . 0 0 "[ . 1 . 2]" 1
1545 1 129 ASP HB3 1 131 SER H 4.630 . 4.630 3.349 2.554 4.670 0.040 6 0 "[ . 1 . 2]" 1
1546 1 129 ASP HB2 1 131 SER H 4.630 . 4.630 3.896 2.589 4.590 . 0 0 "[ . 1 . 2]" 1
1547 1 129 ASP H 1 129 ASP HB3 3.650 . 3.650 2.838 2.242 3.653 0.003 2 0 "[ . 1 . 2]" 1
1548 1 129 ASP H 1 129 ASP HB2 3.650 . 3.650 2.645 2.403 3.660 0.010 11 0 "[ . 1 . 2]" 1
1549 1 129 ASP H 1 130 GLY H 3.700 . 3.700 2.579 2.400 2.696 . 0 0 "[ . 1 . 2]" 1
1550 1 129 ASP H 1 131 SER H 4.170 . 4.170 3.898 3.533 4.174 0.004 7 0 "[ . 1 . 2]" 1
1551 1 131 SER HA 1 132 CYS QB 4.990 . 4.990 4.206 3.752 4.494 . 0 0 "[ . 1 . 2]" 1
1552 1 131 SER HA 1 132 CYS H 3.040 . 3.040 2.364 2.063 2.664 . 0 0 "[ . 1 . 2]" 1
1553 1 131 SER QB 1 132 CYS H 4.350 . 4.350 2.743 2.018 3.786 . 0 0 "[ . 1 . 2]" 1
1554 1 131 SER H 1 131 SER QB 3.480 . 3.480 2.490 2.157 2.845 . 0 0 "[ . 1 . 2]" 1
1555 1 131 SER H 1 132 CYS H 4.300 . 4.300 4.367 4.204 4.430 0.130 14 0 "[ . 1 . 2]" 1
1556 1 132 CYS HA 1 133 TRP H 3.200 . 3.200 2.300 2.206 2.538 . 0 0 "[ . 1 . 2]" 1
1557 1 132 CYS H 1 132 CYS QB 3.370 . 3.370 2.700 2.243 3.135 . 0 0 "[ . 1 . 2]" 1
1558 1 132 CYS H 1 133 TRP H 4.520 . 4.520 4.433 4.305 4.546 0.026 8 0 "[ . 1 . 2]" 1
1559 1 133 TRP HA 1 134 LEU H 3.520 . 3.520 2.314 2.158 2.380 . 0 0 "[ . 1 . 2]" 1
1560 1 133 TRP QB 1 134 LEU H 3.900 . 3.900 3.293 3.215 3.363 . 0 0 "[ . 1 . 2]" 1
1561 1 133 TRP HB3 1 134 LEU H 4.500 . 4.500 3.481 3.350 3.603 . 0 0 "[ . 1 . 2]" 1
1562 1 133 TRP HB2 1 134 LEU H 4.500 . 4.500 4.075 3.875 4.179 . 0 0 "[ . 1 . 2]" 1
1563 1 133 TRP HE1 1 134 LEU H 4.800 . 4.800 4.396 3.535 4.860 0.060 17 0 "[ . 1 . 2]" 1
1564 1 133 TRP HE3 1 134 LEU H 4.860 . 4.860 4.507 3.799 4.976 0.116 9 0 "[ . 1 . 2]" 1
1565 1 133 TRP H 1 133 TRP QB 3.580 . 3.580 2.706 2.467 2.846 . 0 0 "[ . 1 . 2]" 1
1566 1 133 TRP H 1 133 TRP HD1 4.860 . 4.860 4.928 4.793 5.001 0.141 9 0 "[ . 1 . 2]" 1
1567 1 133 TRP H 1 134 LEU H 4.780 . 4.780 4.274 4.185 4.361 . 0 0 "[ . 1 . 2]" 1
1568 1 134 LEU HA 1 134 LEU QD 4.020 . 4.020 2.613 2.120 2.944 . 0 0 "[ . 1 . 2]" 1
1569 1 134 LEU HA 1 137 VAL QG 5.110 . 5.110 4.570 4.034 4.944 . 0 0 "[ . 1 . 2]" 1
1570 1 134 LEU QB 1 136 SER H 4.790 . 4.790 3.609 3.390 4.121 . 0 0 "[ . 1 . 2]" 1
1571 1 134 LEU QD 1 135 HIS H 4.540 . 4.540 4.022 3.536 4.225 . 0 0 "[ . 1 . 2]" 1
1572 1 134 LEU QD 1 136 SER H 4.530 . 4.530 4.552 4.293 4.634 0.104 2 0 "[ . 1 . 2]" 1
1573 1 134 LEU QD 1 137 VAL QG 4.710 . 4.710 2.349 1.989 2.815 . 0 0 "[ . 1 . 2]" 1
1574 1 134 LEU H 1 134 LEU QB 3.590 . 3.590 2.375 2.294 2.534 . 0 0 "[ . 1 . 2]" 1
1575 1 134 LEU H 1 134 LEU QD 4.050 . 4.050 2.278 2.040 3.059 . 0 0 "[ . 1 . 2]" 1
1576 1 134 LEU H 1 134 LEU MD1 5.020 . 5.020 2.565 2.046 3.877 . 0 0 "[ . 1 . 2]" 1
1577 1 134 LEU H 1 134 LEU MD2 5.020 . 5.020 3.701 2.123 4.069 . 0 0 "[ . 1 . 2]" 1
1578 1 134 LEU H 1 134 LEU HG 4.840 . 4.840 3.580 2.250 3.975 . 0 0 "[ . 1 . 2]" 1
1579 1 135 HIS QB 1 136 SER H 4.380 . 4.380 2.284 2.071 2.543 . 0 0 "[ . 1 . 2]" 1
1580 1 135 HIS H 1 136 SER H 3.680 . 3.680 2.375 2.210 2.524 . 0 0 "[ . 1 . 2]" 1
1581 1 136 SER HA 1 137 VAL QG 3.850 . 3.850 3.401 3.264 3.475 . 0 0 "[ . 1 . 2]" 1
1582 1 136 SER HA 1 137 VAL H 3.530 . 3.530 2.414 2.335 2.537 . 0 0 "[ . 1 . 2]" 1
1583 1 136 SER QB 1 137 VAL H 3.830 . 3.830 2.658 2.205 3.582 . 0 0 "[ . 1 . 2]" 1
1584 1 136 SER HB3 1 137 VAL H 4.450 . 4.450 3.058 2.248 3.976 . 0 0 "[ . 1 . 2]" 1
1585 1 136 SER HB2 1 137 VAL H 4.450 . 4.450 3.362 2.226 4.179 . 0 0 "[ . 1 . 2]" 1
1586 1 136 SER H 1 137 VAL HA 4.880 . 4.880 4.386 4.287 4.528 . 0 0 "[ . 1 . 2]" 1
1587 1 136 SER H 1 137 VAL QG 4.380 . 4.380 3.596 3.396 3.825 . 0 0 "[ . 1 . 2]" 1
1588 1 136 SER H 1 137 VAL H 4.550 . 4.550 4.198 4.144 4.250 . 0 0 "[ . 1 . 2]" 1
1589 1 137 VAL HA 1 138 LYS H 2.850 . 2.850 2.254 2.135 2.424 . 0 0 "[ . 1 . 2]" 1
1590 1 137 VAL HB 1 138 LYS H 3.780 . 3.780 2.974 2.414 3.823 0.043 10 0 "[ . 1 . 2]" 1
1591 1 137 VAL HB 1 139 PHE QD 5.500 . 5.500 5.065 4.601 5.240 . 0 0 "[ . 1 . 2]" 1
1592 1 137 VAL HB 1 139 PHE QE 4.470 . 4.470 4.107 3.619 4.327 . 0 0 "[ . 1 . 2]" 1
1593 1 137 VAL QG 1 138 LYS H 3.400 . 3.400 2.987 2.324 3.311 . 0 0 "[ . 1 . 2]" 1
1594 1 137 VAL QG 1 139 PHE QD 4.340 . 4.340 3.476 3.182 3.658 . 0 0 "[ . 1 . 2]" 1
1595 1 137 VAL MG1 1 138 LYS H 4.240 . 4.240 3.678 2.336 4.080 . 0 0 "[ . 1 . 2]" 1
1596 1 137 VAL MG2 1 138 LYS H 4.240 . 4.240 3.454 2.861 4.151 . 0 0 "[ . 1 . 2]" 1
1597 1 137 VAL H 1 137 VAL QG 3.570 . 3.570 2.538 2.408 2.856 . 0 0 "[ . 1 . 2]" 1
1598 1 137 VAL H 1 137 VAL MG1 4.460 . 4.460 3.155 2.891 3.937 . 0 0 "[ . 1 . 2]" 1
1599 1 137 VAL H 1 137 VAL MG2 4.460 . 4.460 2.689 2.573 2.935 . 0 0 "[ . 1 . 2]" 1
1600 1 137 VAL H 1 138 LYS H 4.900 . 4.900 4.252 4.140 4.360 . 0 0 "[ . 1 . 2]" 1
1601 1 138 LYS HA 1 139 PHE H 3.000 . 3.000 2.146 2.054 2.215 . 0 0 "[ . 1 . 2]" 1
1602 1 138 LYS HB3 1 139 PHE H 4.550 . 4.550 4.130 4.010 4.232 . 0 0 "[ . 1 . 2]" 1
1603 1 138 LYS HB2 1 139 PHE H 4.550 . 4.550 4.180 4.084 4.262 . 0 0 "[ . 1 . 2]" 1
1604 1 138 LYS QG 1 139 PHE H 3.360 . 3.360 2.738 2.462 2.938 . 0 0 "[ . 1 . 2]" 1
1605 1 138 LYS QG 1 140 ILE MG 4.250 . 4.250 2.224 2.038 2.617 . 0 0 "[ . 1 . 2]" 1
1606 1 138 LYS HG3 1 139 PHE H 3.920 . 3.920 3.332 3.004 3.701 . 0 0 "[ . 1 . 2]" 1
1607 1 138 LYS HG2 1 139 PHE H 3.920 . 3.920 2.967 2.532 3.417 . 0 0 "[ . 1 . 2]" 1
1608 1 138 LYS H 1 138 LYS QB 3.480 . 3.480 2.427 2.324 2.517 . 0 0 "[ . 1 . 2]" 1
1609 1 138 LYS H 1 138 LYS HB3 3.970 . 3.970 2.557 2.417 2.659 . 0 0 "[ . 1 . 2]" 1
1610 1 138 LYS H 1 138 LYS HB2 3.970 . 3.970 3.032 2.735 3.184 . 0 0 "[ . 1 . 2]" 1
1611 1 138 LYS H 1 138 LYS QG 4.410 . 4.410 4.034 3.958 4.090 . 0 0 "[ . 1 . 2]" 1
1612 1 138 LYS H 1 138 LYS HG3 5.090 . 5.090 4.709 4.606 4.783 . 0 0 "[ . 1 . 2]" 1
1613 1 138 LYS H 1 138 LYS HG2 5.090 . 5.090 4.388 4.269 4.449 . 0 0 "[ . 1 . 2]" 1
1614 1 138 LYS H 1 139 PHE QE 5.500 . 5.500 5.177 4.830 5.420 . 0 0 "[ . 1 . 2]" 1
1615 1 138 LYS H 1 139 PHE H 4.620 . 4.620 4.287 4.157 4.431 . 0 0 "[ . 1 . 2]" 1
1616 1 139 PHE HA 1 139 PHE QD 3.830 . 3.830 2.420 2.260 2.586 . 0 0 "[ . 1 . 2]" 1
1617 1 139 PHE HA 1 139 PHE QE 4.390 . 4.390 4.417 4.360 4.435 0.045 20 0 "[ . 1 . 2]" 1
1618 1 139 PHE HA 1 140 ILE QG 4.580 . 4.580 3.521 3.258 3.711 . 0 0 "[ . 1 . 2]" 1
1619 1 139 PHE HA 1 140 ILE MG 4.640 . 4.640 4.082 3.992 4.186 . 0 0 "[ . 1 . 2]" 1
1620 1 139 PHE HA 1 140 ILE H 3.000 . 3.000 2.154 2.071 2.237 . 0 0 "[ . 1 . 2]" 1
1621 1 139 PHE QB 1 140 ILE H 3.630 . 3.630 3.140 2.846 3.380 . 0 0 "[ . 1 . 2]" 1
1622 1 139 PHE HB3 1 140 ILE H 4.370 . 4.370 3.259 2.919 3.548 . 0 0 "[ . 1 . 2]" 1
1623 1 139 PHE HB2 1 140 ILE H 4.370 . 4.370 4.119 3.945 4.272 . 0 0 "[ . 1 . 2]" 1
1624 1 139 PHE QD 1 140 ILE H 3.980 . 3.980 3.930 3.780 4.015 0.035 5 0 "[ . 1 . 2]" 1
1625 1 139 PHE H 1 139 PHE QB 3.300 . 3.300 2.522 2.431 2.604 . 0 0 "[ . 1 . 2]" 1
1626 1 139 PHE H 1 139 PHE HB3 3.760 . 3.760 3.713 3.642 3.774 0.014 12 0 "[ . 1 . 2]" 1
1627 1 139 PHE H 1 139 PHE HB2 3.760 . 3.760 2.566 2.468 2.654 . 0 0 "[ . 1 . 2]" 1
1628 1 139 PHE H 1 139 PHE QD 3.680 . 3.680 3.209 2.881 3.476 . 0 0 "[ . 1 . 2]" 1
1629 1 139 PHE H 1 140 ILE MG 4.500 . 4.500 3.913 3.619 4.224 . 0 0 "[ . 1 . 2]" 1
1630 1 139 PHE H 1 140 ILE H 4.760 . 4.760 4.268 4.078 4.439 . 0 0 "[ . 1 . 2]" 1
1631 1 140 ILE HA 1 140 ILE QG 3.630 . 3.630 3.313 3.269 3.336 . 0 0 "[ . 1 . 2]" 1
1632 1 140 ILE HA 1 140 ILE HG13 4.230 . 4.230 3.790 3.747 3.821 . 0 0 "[ . 1 . 2]" 1
1633 1 140 ILE HA 1 140 ILE HG12 4.230 . 4.230 3.656 3.602 3.702 . 0 0 "[ . 1 . 2]" 1
1634 1 140 ILE HA 1 140 ILE MG 3.150 . 3.150 2.271 2.211 2.293 . 0 0 "[ . 1 . 2]" 1
1635 1 140 ILE HA 1 141 MET H 3.000 . 3.000 2.041 1.984 2.106 . 0 0 "[ . 1 . 2]" 1
1636 1 140 ILE QG 1 141 MET H 4.570 . 4.570 4.414 4.378 4.469 . 0 0 "[ . 1 . 2]" 1
1637 1 140 ILE MG 1 141 MET H 4.200 . 4.200 3.892 3.814 3.961 . 0 0 "[ . 1 . 2]" 1
1638 1 140 ILE H 1 140 ILE HB 3.870 . 3.870 3.783 3.711 3.816 . 0 0 "[ . 1 . 2]" 1
1639 1 140 ILE H 1 140 ILE MD 5.240 . 5.240 3.926 3.826 4.013 . 0 0 "[ . 1 . 2]" 1
1640 1 140 ILE H 1 140 ILE HG13 3.820 . 3.820 2.850 2.569 2.967 . 0 0 "[ . 1 . 2]" 1
1641 1 140 ILE H 1 140 ILE HG12 3.820 . 3.820 2.321 2.178 2.537 . 0 0 "[ . 1 . 2]" 1
1642 1 140 ILE H 1 140 ILE MG 3.570 . 3.570 3.296 3.089 3.496 . 0 0 "[ . 1 . 2]" 1
1643 1 140 ILE H 1 141 MET H 4.080 . 4.080 3.859 3.693 4.068 . 0 0 "[ . 1 . 2]" 1
1644 1 141 MET HA 1 142 SER H 3.400 . 3.400 2.050 1.942 2.248 . 0 0 "[ . 1 . 2]" 1
1645 1 141 MET HA 1 143 LYS H 4.370 . 4.370 3.973 3.300 4.416 0.046 6 0 "[ . 1 . 2]" 1
1646 1 141 MET QB 1 142 SER H 3.770 . 3.770 3.148 2.781 3.690 . 0 0 "[ . 1 . 2]" 1
1647 1 141 MET HB3 1 142 SER H 4.300 . 4.300 3.681 2.946 4.322 0.022 12 0 "[ . 1 . 2]" 1
1648 1 141 MET HB2 1 142 SER H 4.300 . 4.300 3.713 2.846 4.348 0.048 8 0 "[ . 1 . 2]" 1
1649 1 141 MET H 1 141 MET QB 3.330 . 3.330 2.586 2.363 2.897 . 0 0 "[ . 1 . 2]" 1
1650 1 141 MET H 1 141 MET HB3 3.900 . 3.900 3.292 2.797 3.691 . 0 0 "[ . 1 . 2]" 1
1651 1 141 MET H 1 141 MET HB2 3.900 . 3.900 3.005 2.395 3.701 . 0 0 "[ . 1 . 2]" 1
1652 1 141 MET H 1 141 MET QG 3.530 . 3.530 2.365 1.975 3.140 . 0 0 "[ . 1 . 2]" 1
1653 1 142 SER H 1 142 SER QB 3.260 . 3.260 3.172 2.983 3.340 0.080 10 0 "[ . 1 . 2]" 1
1654 1 142 SER H 1 143 LYS H 3.800 . 3.800 2.524 1.776 3.084 0.024 13 0 "[ . 1 . 2]" 1
1655 1 143 LYS HA 1 143 LYS QG 3.160 . 3.160 2.639 2.380 3.129 . 0 0 "[ . 1 . 2]" 1
1656 1 143 LYS HA 1 144 ALA H 2.970 . 2.970 2.215 1.986 2.586 . 0 0 "[ . 1 . 2]" 1
1657 1 143 LYS QB 1 144 ALA H 3.550 . 3.550 3.261 2.072 3.653 0.103 4 0 "[ . 1 . 2]" 1
1658 1 143 LYS QG 1 144 ALA H 4.090 . 4.090 3.135 2.306 4.257 0.167 7 0 "[ . 1 . 2]" 1
1659 1 143 LYS H 1 143 LYS QB 3.320 . 3.320 2.267 2.100 2.443 . 0 0 "[ . 1 . 2]" 1
1660 1 143 LYS H 1 143 LYS HB3 3.880 . 3.880 2.904 2.238 3.660 . 0 0 "[ . 1 . 2]" 1
1661 1 143 LYS H 1 143 LYS HB2 3.880 . 3.880 2.502 2.194 3.047 . 0 0 "[ . 1 . 2]" 1
1662 1 143 LYS H 1 143 LYS QG 4.100 . 4.100 3.795 2.963 4.105 0.005 18 0 "[ . 1 . 2]" 1
1663 1 143 LYS H 1 143 LYS HG3 4.890 . 4.890 4.413 4.153 4.645 . 0 0 "[ . 1 . 2]" 1
1664 1 143 LYS H 1 143 LYS HG2 4.890 . 4.890 4.206 3.033 4.677 . 0 0 "[ . 1 . 2]" 1
1665 1 143 LYS H 1 144 ALA H 4.730 . 4.730 4.433 4.205 4.633 . 0 0 "[ . 1 . 2]" 1
1666 1 144 ALA HA 1 145 ALA H 3.380 . 3.380 2.213 2.086 2.512 . 0 0 "[ . 1 . 2]" 1
1667 1 144 ALA MB 1 145 ALA MB 4.750 . 4.750 4.141 3.790 4.558 . 0 0 "[ . 1 . 2]" 1
1668 1 144 ALA MB 1 145 ALA H 3.310 . 3.310 2.699 2.120 3.335 0.025 13 0 "[ . 1 . 2]" 1
1669 1 144 ALA H 1 144 ALA MB 3.100 . 3.100 2.620 2.417 2.854 . 0 0 "[ . 1 . 2]" 1
1670 1 144 ALA H 1 145 ALA MB 5.500 . 5.500 5.126 4.667 5.459 . 0 0 "[ . 1 . 2]" 1
1671 1 144 ALA H 1 145 ALA H 4.640 . 4.640 4.232 3.613 4.456 . 0 0 "[ . 1 . 2]" 1
1672 1 145 ALA MB 1 147 TYR H 5.500 . 5.500 5.396 5.156 5.546 0.046 20 0 "[ . 1 . 2]" 1
1673 1 145 ALA H 1 145 ALA MB 3.210 . 3.210 2.310 2.193 2.525 . 0 0 "[ . 1 . 2]" 1
1674 1 145 ALA H 1 146 PRO QD 4.480 . 4.480 4.299 3.876 4.465 . 0 0 "[ . 1 . 2]" 1
1675 1 145 ALA H 1 146 PRO HD3 5.100 . 5.100 4.747 4.016 5.168 0.068 8 0 "[ . 1 . 2]" 1
1676 1 145 ALA H 1 146 PRO HD2 5.100 . 5.100 4.967 4.699 5.127 0.027 3 0 "[ . 1 . 2]" 1
1677 1 146 PRO HA 1 147 TYR H 2.950 . 2.950 2.235 2.144 2.344 . 0 0 "[ . 1 . 2]" 1
1678 1 146 PRO QB 1 147 TYR QD 5.340 . 5.340 4.524 3.709 5.479 0.139 6 0 "[ . 1 . 2]" 1
1679 1 146 PRO QB 1 147 TYR H 3.460 . 3.460 3.129 2.718 3.351 . 0 0 "[ . 1 . 2]" 1
1680 1 146 PRO HB3 1 147 TYR H 3.990 . 3.990 3.577 3.249 3.967 . 0 0 "[ . 1 . 2]" 1
1681 1 146 PRO HB2 1 147 TYR H 3.990 . 3.990 3.545 2.808 3.953 . 0 0 "[ . 1 . 2]" 1
1682 1 146 PRO QD 1 147 TYR H 5.030 . 5.030 4.992 4.933 5.052 0.022 14 0 "[ . 1 . 2]" 1
1683 1 147 TYR HA 1 147 TYR QD 3.980 . 3.980 3.678 2.291 3.791 . 0 0 "[ . 1 . 2]" 1
1684 1 147 TYR HA 1 148 VAL H 2.950 . 2.950 2.284 2.134 2.481 . 0 0 "[ . 1 . 2]" 1
1685 1 147 TYR QB 1 148 VAL H 4.000 . 4.000 2.671 2.272 3.712 . 0 0 "[ . 1 . 2]" 1
1686 1 147 TYR QD 1 148 VAL QG 4.130 . 4.130 4.119 3.855 4.244 0.114 3 0 "[ . 1 . 2]" 1
1687 1 147 TYR QD 1 148 VAL H 4.140 . 4.140 3.415 3.019 3.811 . 0 0 "[ . 1 . 2]" 1
1688 1 147 TYR QD 1 149 ALA H 4.750 . 4.750 4.130 2.626 4.749 . 0 0 "[ . 1 . 2]" 1
1689 1 147 TYR QE 1 149 ALA HA 4.660 . 4.660 4.377 2.991 4.694 0.034 16 0 "[ . 1 . 2]" 1
1690 1 147 TYR QE 1 149 ALA MB 3.880 . 3.880 2.313 1.970 3.320 . 0 0 "[ . 1 . 2]" 1
1691 1 147 TYR QE 1 149 ALA H 5.270 . 5.270 4.728 2.908 5.305 0.035 14 0 "[ . 1 . 2]" 1
1692 1 147 TYR H 1 147 TYR HB3 3.450 . 3.450 2.534 2.258 2.731 . 0 0 "[ . 1 . 2]" 1
1693 1 147 TYR H 1 147 TYR HB2 3.450 . 3.450 3.527 3.240 3.591 0.141 14 0 "[ . 1 . 2]" 1
1694 1 147 TYR H 1 147 TYR QD 4.170 . 4.170 2.344 1.917 4.237 0.067 6 0 "[ . 1 . 2]" 1
1695 1 148 VAL HA 1 149 ALA H 2.550 . 2.550 2.151 2.000 2.366 . 0 0 "[ . 1 . 2]" 1
1696 1 148 VAL HB 1 149 ALA H 4.220 . 4.220 3.556 2.606 4.285 0.065 3 0 "[ . 1 . 2]" 1
1697 1 148 VAL QG 1 149 ALA H 3.600 . 3.600 3.138 2.228 3.638 0.038 20 0 "[ . 1 . 2]" 1
1698 1 148 VAL H 1 148 VAL HB 3.870 . 3.870 3.382 2.686 3.791 . 0 0 "[ . 1 . 2]" 1
1699 1 148 VAL H 1 148 VAL QG 3.300 . 3.300 2.035 1.815 2.779 . 0 0 "[ . 1 . 2]" 1
1700 1 148 VAL H 1 148 VAL MG1 4.020 . 4.020 2.489 1.976 3.928 . 0 0 "[ . 1 . 2]" 1
1701 1 148 VAL H 1 148 VAL MG2 4.020 . 4.020 2.691 1.857 3.889 . 0 0 "[ . 1 . 2]" 1
1702 1 149 ALA H 1 149 ALA MB 2.630 . 2.630 2.523 2.284 2.671 0.041 3 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 102
_Distance_constraint_stats_list.Viol_count 565
_Distance_constraint_stats_list.Viol_total 408.195
_Distance_constraint_stats_list.Viol_max 0.142
_Distance_constraint_stats_list.Viol_rms 0.0224
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0100
_Distance_constraint_stats_list.Viol_average_violations_only 0.0361
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 16 VAL 0.348 0.051 8 0 "[ . 1 . 2]"
1 17 THR 0.267 0.072 19 0 "[ . 1 . 2]"
1 18 ASP 0.849 0.076 8 0 "[ . 1 . 2]"
1 19 LEU 0.191 0.069 5 0 "[ . 1 . 2]"
1 20 ASP 0.381 0.051 8 0 "[ . 1 . 2]"
1 21 VAL 0.319 0.072 19 0 "[ . 1 . 2]"
1 22 LYS 0.953 0.076 8 0 "[ . 1 . 2]"
1 23 GLY 0.731 0.074 7 0 "[ . 1 . 2]"
1 24 LEU 0.111 0.022 13 0 "[ . 1 . 2]"
1 25 GLY 0.189 0.053 19 0 "[ . 1 . 2]"
1 26 TYR 0.307 0.049 17 0 "[ . 1 . 2]"
1 27 ASP 0.792 0.074 7 0 "[ . 1 . 2]"
1 28 PHE 0.641 0.095 17 0 "[ . 1 . 2]"
1 29 ILE 0.138 0.053 19 0 "[ . 1 . 2]"
1 30 ASP 2.167 0.134 9 0 "[ . 1 . 2]"
1 31 LEU 0.251 0.058 20 0 "[ . 1 . 2]"
1 32 VAL 0.563 0.095 17 0 "[ . 1 . 2]"
1 33 THR 1.965 0.134 9 0 "[ . 1 . 2]"
1 40 ASN 1.665 0.139 15 0 "[ . 1 . 2]"
1 41 SER 0.678 0.095 14 0 "[ . 1 . 2]"
1 42 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 HIS 2.523 0.139 15 0 "[ . 1 . 2]"
1 44 GLU 0.174 0.036 17 0 "[ . 1 . 2]"
1 45 LEU 0.685 0.095 14 0 "[ . 1 . 2]"
1 46 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 HIS 0.859 0.073 12 0 "[ . 1 . 2]"
1 48 PHE 0.174 0.036 17 0 "[ . 1 . 2]"
1 49 LEU 0.007 0.004 9 0 "[ . 1 . 2]"
1 56 ILE 3.199 0.142 3 0 "[ . 1 . 2]"
1 57 TYR 1.646 0.079 11 0 "[ . 1 . 2]"
1 58 VAL 0.091 0.024 2 0 "[ . 1 . 2]"
1 61 LYS 0.091 0.024 2 0 "[ . 1 . 2]"
1 63 GLN 3.199 0.142 3 0 "[ . 1 . 2]"
1 64 THR 0.093 0.045 14 0 "[ . 1 . 2]"
1 65 THR 0.151 0.059 20 0 "[ . 1 . 2]"
1 66 THR 0.248 0.053 17 0 "[ . 1 . 2]"
1 67 ALA 0.073 0.023 1 0 "[ . 1 . 2]"
1 68 PHE 0.106 0.045 14 0 "[ . 1 . 2]"
1 69 LEU 0.181 0.059 20 0 "[ . 1 . 2]"
1 70 GLN 1.004 0.080 10 0 "[ . 1 . 2]"
1 71 PHE 0.073 0.023 1 0 "[ . 1 . 2]"
1 72 PHE 0.352 0.050 3 0 "[ . 1 . 2]"
1 73 ARG 0.030 0.016 17 0 "[ . 1 . 2]"
1 74 GLN 0.756 0.080 10 0 "[ . 1 . 2]"
1 75 GLY 0.339 0.050 3 0 "[ . 1 . 2]"
1 84 GLU 0.154 0.049 1 0 "[ . 1 . 2]"
1 99 TYR 0.403 0.060 16 0 "[ . 1 . 2]"
1 101 LEU 0.282 0.063 7 0 "[ . 1 . 2]"
1 103 TRP 0.135 0.037 3 0 "[ . 1 . 2]"
1 104 LYS 0.154 0.049 1 0 "[ . 1 . 2]"
1 105 SER 0.026 0.010 17 0 "[ . 1 . 2]"
1 117 TRP 0.111 0.042 2 0 "[ . 1 . 2]"
1 118 ASP 0.026 0.010 17 0 "[ . 1 . 2]"
1 119 GLU 0.032 0.010 14 0 "[ . 1 . 2]"
1 120 ALA 0.135 0.037 3 0 "[ . 1 . 2]"
1 121 GLU 0.589 0.047 19 0 "[ . 1 . 2]"
1 122 ALA 0.282 0.063 7 0 "[ . 1 . 2]"
1 123 TYR 1.545 0.093 11 0 "[ . 1 . 2]"
1 124 ILE 0.403 0.060 16 0 "[ . 1 . 2]"
1 125 TRP 1.530 0.084 4 0 "[ . 1 . 2]"
1 133 TRP 1.530 0.084 4 0 "[ . 1 . 2]"
1 136 SER 1.545 0.093 11 0 "[ . 1 . 2]"
1 138 LYS 0.589 0.047 19 0 "[ . 1 . 2]"
1 139 PHE 1.646 0.079 11 0 "[ . 1 . 2]"
1 140 ILE 0.032 0.010 14 0 "[ . 1 . 2]"
1 143 LYS 0.111 0.042 2 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 16 VAL O 1 20 ASP H 2.000 . 2.000 1.956 1.747 2.050 0.050 16 0 "[ . 1 . 2]" 2
2 1 16 VAL O 1 20 ASP N 3.000 2.700 3.000 2.816 2.649 2.984 0.051 8 0 "[ . 1 . 2]" 2
3 1 17 THR O 1 21 VAL H 2.000 . 2.000 1.941 1.733 2.072 0.072 19 0 "[ . 1 . 2]" 2
4 1 17 THR O 1 21 VAL N 3.000 2.700 3.000 2.874 2.703 3.047 0.047 19 0 "[ . 1 . 2]" 2
5 1 18 ASP O 1 22 LYS H 2.000 . 2.000 2.008 1.879 2.076 0.076 8 0 "[ . 1 . 2]" 2
6 1 18 ASP O 1 22 LYS N 3.000 2.700 3.000 2.965 2.820 3.047 0.047 8 0 "[ . 1 . 2]" 2
7 1 19 LEU O 1 23 GLY H 2.000 . 2.000 1.971 1.864 2.069 0.069 5 0 "[ . 1 . 2]" 2
8 1 19 LEU O 1 23 GLY N 3.000 2.700 3.000 2.819 2.736 2.944 . 0 0 "[ . 1 . 2]" 2
9 1 20 ASP O 1 24 LEU H 2.000 . 2.000 1.919 1.806 2.016 0.016 5 0 "[ . 1 . 2]" 2
10 1 20 ASP O 1 24 LEU N 3.000 2.700 3.000 2.858 2.739 2.992 . 0 0 "[ . 1 . 2]" 2
11 1 21 VAL O 1 25 GLY H 2.000 . 2.000 1.906 1.761 2.019 0.019 8 0 "[ . 1 . 2]" 2
12 1 21 VAL O 1 25 GLY N 3.000 2.700 3.000 2.825 2.731 2.927 . 0 0 "[ . 1 . 2]" 2
13 1 22 LYS O 1 26 TYR H 2.000 . 2.000 1.959 1.860 2.045 0.045 16 0 "[ . 1 . 2]" 2
14 1 22 LYS O 1 26 TYR N 3.000 2.700 3.000 2.867 2.792 2.938 . 0 0 "[ . 1 . 2]" 2
15 1 23 GLY O 1 27 ASP H 2.000 . 2.000 1.993 1.904 2.074 0.074 7 0 "[ . 1 . 2]" 2
16 1 23 GLY O 1 27 ASP N 3.000 2.700 3.000 2.913 2.813 3.024 0.024 11 0 "[ . 1 . 2]" 2
17 1 24 LEU O 1 28 PHE H 2.000 . 2.000 1.911 1.754 2.022 0.022 13 0 "[ . 1 . 2]" 2
18 1 24 LEU O 1 28 PHE N 3.000 2.700 3.000 2.862 2.712 2.993 . 0 0 "[ . 1 . 2]" 2
19 1 25 GLY O 1 29 ILE H 2.000 . 2.000 1.928 1.818 2.053 0.053 19 0 "[ . 1 . 2]" 2
20 1 25 GLY O 1 29 ILE N 3.000 2.700 3.000 2.888 2.772 3.018 0.018 19 0 "[ . 1 . 2]" 2
21 1 26 TYR O 1 30 ASP H 2.000 . 2.000 1.799 1.728 1.940 . 0 0 "[ . 1 . 2]" 2
22 1 26 TYR O 1 30 ASP N 3.000 2.700 3.000 2.714 2.651 2.842 0.049 17 0 "[ . 1 . 2]" 2
23 1 27 ASP O 1 31 LEU H 2.000 . 2.000 1.983 1.827 2.058 0.058 20 0 "[ . 1 . 2]" 2
24 1 27 ASP O 1 31 LEU N 3.000 2.700 3.000 2.912 2.764 2.979 . 0 0 "[ . 1 . 2]" 2
25 1 28 PHE O 1 32 VAL H 2.000 . 2.000 2.021 1.924 2.095 0.095 17 0 "[ . 1 . 2]" 2
26 1 28 PHE O 1 32 VAL N 3.000 2.700 3.000 2.926 2.820 3.009 0.009 17 0 "[ . 1 . 2]" 2
27 1 30 ASP O 1 33 THR H 2.000 . 2.000 2.098 2.070 2.134 0.134 9 0 "[ . 1 . 2]" 2
28 1 30 ASP O 1 33 THR N 3.000 2.700 3.000 2.923 2.886 2.961 . 0 0 "[ . 1 . 2]" 2
29 1 40 ASN O 1 43 HIS H 2.000 . 2.000 2.083 2.010 2.139 0.139 15 0 "[ . 1 . 2]" 2
30 1 40 ASN O 1 43 HIS N 3.000 2.700 3.000 2.932 2.857 3.000 0.000 5 0 "[ . 1 . 2]" 2
31 1 41 SER O 1 45 LEU H 2.000 . 2.000 2.030 1.972 2.095 0.095 14 0 "[ . 1 . 2]" 2
32 1 41 SER O 1 45 LEU N 3.000 2.700 3.000 2.923 2.835 3.002 0.002 14 0 "[ . 1 . 2]" 2
33 1 42 GLU O 1 46 ALA H 2.000 . 2.000 1.842 1.739 1.981 . 0 0 "[ . 1 . 2]" 2
34 1 42 GLU O 1 46 ALA N 3.000 2.700 3.000 2.773 2.712 2.888 . 0 0 "[ . 1 . 2]" 2
35 1 43 HIS O 1 47 HIS H 2.000 . 2.000 2.042 1.988 2.073 0.073 12 0 "[ . 1 . 2]" 2
36 1 43 HIS O 1 47 HIS N 3.000 2.700 3.000 2.910 2.834 2.964 . 0 0 "[ . 1 . 2]" 2
37 1 44 GLU O 1 48 PHE H 2.000 . 2.000 1.992 1.911 2.036 0.036 17 0 "[ . 1 . 2]" 2
38 1 44 GLU O 1 48 PHE N 3.000 2.700 3.000 2.802 2.736 2.850 . 0 0 "[ . 1 . 2]" 2
39 1 45 LEU O 1 49 LEU H 2.000 . 2.000 1.885 1.808 2.002 0.002 2 0 "[ . 1 . 2]" 2
40 1 45 LEU O 1 49 LEU N 3.000 2.700 3.000 2.819 2.696 2.920 0.004 9 0 "[ . 1 . 2]" 2
41 1 56 ILE H 1 63 GLN O 2.000 . 2.000 2.075 1.962 2.142 0.142 3 0 "[ . 1 . 2]" 2
42 1 56 ILE N 1 63 GLN O 3.000 2.700 3.000 2.979 2.887 3.062 0.062 3 0 "[ . 1 . 2]" 2
43 1 58 VAL H 1 61 LYS O 2.000 . 2.000 1.735 1.714 1.757 . 0 0 "[ . 1 . 2]" 2
44 1 58 VAL N 1 61 LYS O 3.000 2.700 3.000 2.705 2.676 2.735 0.024 2 0 "[ . 1 . 2]" 2
45 1 58 VAL O 1 61 LYS H 2.000 . 2.000 1.894 1.793 2.009 0.009 3 0 "[ . 1 . 2]" 2
46 1 58 VAL O 1 61 LYS N 3.000 2.700 3.000 2.832 2.754 2.933 . 0 0 "[ . 1 . 2]" 2
47 1 56 ILE O 1 63 GLN H 2.000 . 2.000 1.734 1.684 1.812 0.016 20 0 "[ . 1 . 2]" 2
48 1 56 ILE O 1 63 GLN N 3.000 2.700 3.000 2.625 2.584 2.668 0.116 11 0 "[ . 1 . 2]" 2
49 1 64 THR O 1 68 PHE H 2.000 . 2.000 1.950 1.849 2.045 0.045 14 0 "[ . 1 . 2]" 2
50 1 64 THR O 1 68 PHE N 3.000 2.700 3.000 2.931 2.825 3.028 0.028 14 0 "[ . 1 . 2]" 2
51 1 65 THR O 1 69 LEU H 2.000 . 2.000 1.897 1.797 2.059 0.059 20 0 "[ . 1 . 2]" 2
52 1 65 THR O 1 69 LEU N 3.000 2.700 3.000 2.855 2.750 3.028 0.028 20 0 "[ . 1 . 2]" 2
53 1 66 THR O 1 70 GLN H 2.000 . 2.000 1.973 1.863 2.053 0.053 17 0 "[ . 1 . 2]" 2
54 1 66 THR O 1 70 GLN N 3.000 2.700 3.000 2.892 2.761 2.989 . 0 0 "[ . 1 . 2]" 2
55 1 67 ALA O 1 71 PHE H 2.000 . 2.000 1.954 1.853 2.023 0.023 1 0 "[ . 1 . 2]" 2
56 1 67 ALA O 1 71 PHE N 3.000 2.700 3.000 2.891 2.813 2.950 . 0 0 "[ . 1 . 2]" 2
57 1 68 PHE O 1 72 PHE H 2.000 . 2.000 1.808 1.726 1.907 . 0 0 "[ . 1 . 2]" 2
58 1 68 PHE O 1 72 PHE N 3.000 2.700 3.000 2.751 2.691 2.823 0.009 6 0 "[ . 1 . 2]" 2
59 1 69 LEU O 1 73 ARG H 2.000 . 2.000 1.915 1.783 2.016 0.016 17 0 "[ . 1 . 2]" 2
60 1 69 LEU O 1 73 ARG N 3.000 2.700 3.000 2.865 2.742 2.980 . 0 0 "[ . 1 . 2]" 2
61 1 70 GLN O 1 74 GLN H 2.000 . 2.000 2.032 1.895 2.080 0.080 10 0 "[ . 1 . 2]" 2
62 1 70 GLN O 1 74 GLN N 3.000 2.700 3.000 2.893 2.782 2.981 . 0 0 "[ . 1 . 2]" 2
63 1 72 PHE O 1 75 GLY H 2.000 . 2.000 2.008 1.929 2.050 0.050 3 0 "[ . 1 . 2]" 2
64 1 72 PHE O 1 75 GLY N 3.000 2.700 3.000 2.897 2.831 2.959 . 0 0 "[ . 1 . 2]" 2
65 1 84 GLU H 1 104 LYS O 2.000 . 2.000 1.863 1.723 2.018 0.018 17 0 "[ . 1 . 2]" 2
66 1 84 GLU N 1 104 LYS O 3.000 2.700 3.000 2.822 2.685 2.948 0.015 4 0 "[ . 1 . 2]" 2
67 1 99 TYR H 1 124 ILE O 2.000 . 2.000 1.786 1.703 1.985 . 0 0 "[ . 1 . 2]" 2
68 1 99 TYR N 1 124 ILE O 3.000 2.700 3.000 2.735 2.666 2.850 0.034 14 0 "[ . 1 . 2]" 2
69 1 101 LEU H 1 122 ALA O 2.000 . 2.000 1.975 1.823 2.063 0.063 7 0 "[ . 1 . 2]" 2
70 1 101 LEU N 1 122 ALA O 3.000 2.700 3.000 2.929 2.792 2.997 . 0 0 "[ . 1 . 2]" 2
71 1 103 TRP H 1 120 ALA O 2.000 . 2.000 1.765 1.691 1.853 0.009 3 0 "[ . 1 . 2]" 2
72 1 103 TRP N 1 120 ALA O 3.000 2.700 3.000 2.719 2.663 2.782 0.037 3 0 "[ . 1 . 2]" 2
73 1 84 GLU O 1 104 LYS H 2.000 . 2.000 1.862 1.714 2.049 0.049 1 0 "[ . 1 . 2]" 2
74 1 84 GLU O 1 104 LYS N 3.000 2.700 3.000 2.816 2.673 2.989 0.027 13 0 "[ . 1 . 2]" 2
75 1 105 SER H 1 118 ASP O 2.000 . 2.000 1.792 1.705 1.920 . 0 0 "[ . 1 . 2]" 2
76 1 105 SER N 1 118 ASP O 3.000 2.700 3.000 2.762 2.690 2.888 0.010 17 0 "[ . 1 . 2]" 2
77 1 117 TRP H 1 143 LYS O 2.000 . 2.000 1.898 1.777 2.042 0.042 2 0 "[ . 1 . 2]" 2
78 1 117 TRP N 1 143 LYS O 3.000 2.700 3.000 2.860 2.742 3.011 0.011 19 0 "[ . 1 . 2]" 2
79 1 119 GLU H 1 140 ILE O 2.000 . 2.000 1.877 1.775 2.010 0.010 14 0 "[ . 1 . 2]" 2
80 1 119 GLU N 1 140 ILE O 3.000 2.700 3.000 2.848 2.752 2.989 . 0 0 "[ . 1 . 2]" 2
81 1 103 TRP O 1 120 ALA H 2.000 . 2.000 1.883 1.743 1.998 . 0 0 "[ . 1 . 2]" 2
82 1 103 TRP O 1 120 ALA N 3.000 2.700 3.000 2.814 2.699 2.906 0.001 13 0 "[ . 1 . 2]" 2
83 1 121 GLU H 1 138 LYS O 2.000 . 2.000 1.753 1.686 1.845 0.014 19 0 "[ . 1 . 2]" 2
84 1 121 GLU N 1 138 LYS O 3.000 2.700 3.000 2.710 2.664 2.755 0.036 19 0 "[ . 1 . 2]" 2
85 1 101 LEU O 1 122 ALA H 2.000 . 2.000 1.841 1.732 2.021 0.021 12 0 "[ . 1 . 2]" 2
86 1 101 LEU O 1 122 ALA N 3.000 2.700 3.000 2.768 2.701 2.874 . 0 0 "[ . 1 . 2]" 2
87 1 123 TYR H 1 136 SER O 2.000 . 2.000 1.799 1.739 1.868 . 0 0 "[ . 1 . 2]" 2
88 1 123 TYR N 1 136 SER O 3.000 2.700 3.000 2.707 2.666 2.766 0.034 11 0 "[ . 1 . 2]" 2
89 1 99 TYR O 1 124 ILE H 2.000 . 2.000 1.951 1.717 2.060 0.060 16 0 "[ . 1 . 2]" 2
90 1 99 TYR O 1 124 ILE N 3.000 2.700 3.000 2.916 2.702 3.015 0.015 16 0 "[ . 1 . 2]" 2
91 1 125 TRP H 1 133 TRP O 2.000 . 2.000 1.994 1.861 2.050 0.050 1 0 "[ . 1 . 2]" 2
92 1 125 TRP N 1 133 TRP O 3.000 2.700 3.000 2.946 2.820 3.008 0.008 11 0 "[ . 1 . 2]" 2
93 1 125 TRP O 1 133 TRP H 2.000 . 2.000 2.040 1.873 2.084 0.084 4 0 "[ . 1 . 2]" 2
94 1 125 TRP O 1 133 TRP N 3.000 2.700 3.000 2.997 2.852 3.051 0.051 2 0 "[ . 1 . 2]" 2
95 1 123 TYR O 1 136 SER H 2.000 . 2.000 2.052 2.015 2.093 0.093 11 0 "[ . 1 . 2]" 2
96 1 123 TYR O 1 136 SER N 3.000 2.700 3.000 3.018 2.987 3.062 0.062 11 0 "[ . 1 . 2]" 2
97 1 121 GLU O 1 138 LYS H 2.000 . 2.000 1.730 1.689 1.841 0.011 2 0 "[ . 1 . 2]" 2
98 1 121 GLU O 1 138 LYS N 3.000 2.700 3.000 2.682 2.653 2.726 0.047 19 0 "[ . 1 . 2]" 2
99 1 57 TYR O 1 139 PHE H 2.000 . 2.000 1.674 1.645 1.701 0.055 11 0 "[ . 1 . 2]" 2
100 1 57 TYR O 1 139 PHE N 3.000 2.700 3.000 2.643 2.621 2.671 0.079 11 0 "[ . 1 . 2]" 2
101 1 119 GLU O 1 140 ILE H 2.000 . 2.000 1.745 1.707 1.793 . 0 0 "[ . 1 . 2]" 2
102 1 119 GLU O 1 140 ILE N 3.000 2.700 3.000 2.730 2.692 2.776 0.008 13 0 "[ . 1 . 2]" 2
stop_
save_
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