NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
468847 |
2a7o   |
6834 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2a7o
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 2379
_Distance_constraint_stats_list.Viol_count 5932
_Distance_constraint_stats_list.Viol_total 7168.427
_Distance_constraint_stats_list.Viol_max 0.344
_Distance_constraint_stats_list.Viol_rms 0.0275
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0075
_Distance_constraint_stats_list.Viol_average_violations_only 0.0604
_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 10 THR 0.418 0.134 20 0 "[ . 1 . 2]"
1 11 SER 11.018 0.237 18 0 "[ . 1 . 2]"
1 12 SER 2.668 0.121 5 0 "[ . 1 . 2]"
1 13 GLU 6.419 0.206 16 0 "[ . 1 . 2]"
1 14 LEU 0.972 0.095 8 0 "[ . 1 . 2]"
1 15 ALA 6.890 0.188 4 0 "[ . 1 . 2]"
1 16 LYS 0.357 0.096 2 0 "[ . 1 . 2]"
1 17 LYS 0.348 0.096 2 0 "[ . 1 . 2]"
1 18 SER 1.950 0.157 3 0 "[ . 1 . 2]"
1 19 LYS 9.796 0.236 5 0 "[ . 1 . 2]"
1 20 GLU 2.799 0.264 18 0 "[ . 1 . 2]"
1 21 VAL 1.578 0.087 18 0 "[ . 1 . 2]"
1 22 PHE 11.447 0.264 18 0 "[ . 1 . 2]"
1 23 ARG 7.205 0.221 12 0 "[ . 1 . 2]"
1 24 LYS 2.764 0.149 9 0 "[ . 1 . 2]"
1 25 GLU 7.861 0.246 8 0 "[ . 1 . 2]"
1 26 MET 19.986 0.246 8 0 "[ . 1 . 2]"
1 27 SER 4.791 0.196 15 0 "[ . 1 . 2]"
1 28 GLN 9.899 0.344 20 0 "[ . 1 . 2]"
1 29 PHE 8.894 0.344 20 0 "[ . 1 . 2]"
1 30 ILE 8.050 0.239 1 0 "[ . 1 . 2]"
1 31 VAL 6.315 0.196 10 0 "[ . 1 . 2]"
1 32 GLN 6.089 0.122 20 0 "[ . 1 . 2]"
1 33 CYS 3.954 0.099 12 0 "[ . 1 . 2]"
1 34 LEU 4.474 0.075 9 0 "[ . 1 . 2]"
1 35 ASN 6.759 0.221 10 0 "[ . 1 . 2]"
1 36 PRO 3.516 0.082 16 0 "[ . 1 . 2]"
1 37 TYR 8.905 0.168 18 0 "[ . 1 . 2]"
1 38 ARG 4.510 0.112 5 0 "[ . 1 . 2]"
1 39 LYS 4.339 0.146 8 0 "[ . 1 . 2]"
1 40 PRO 1.058 0.083 7 0 "[ . 1 . 2]"
1 41 ASP 1.742 0.186 20 0 "[ . 1 . 2]"
1 42 CYS 4.177 0.103 9 0 "[ . 1 . 2]"
1 43 LYS 0.751 0.130 11 0 "[ . 1 . 2]"
1 44 VAL 2.065 0.095 8 0 "[ . 1 . 2]"
1 45 GLY 3.735 0.184 13 0 "[ . 1 . 2]"
1 46 ARG 3.309 0.103 9 0 "[ . 1 . 2]"
1 47 ILE 4.443 0.138 18 0 "[ . 1 . 2]"
1 48 THR 5.962 0.282 6 0 "[ . 1 . 2]"
1 49 THR 10.306 0.282 6 0 "[ . 1 . 2]"
1 50 THR 6.874 0.145 6 0 "[ . 1 . 2]"
1 51 GLU 2.748 0.145 6 0 "[ . 1 . 2]"
1 52 ASP 4.257 0.134 12 0 "[ . 1 . 2]"
1 53 PHE 11.303 0.166 18 0 "[ . 1 . 2]"
1 54 LYS 0.913 0.091 9 0 "[ . 1 . 2]"
1 55 HIS 2.550 0.082 9 0 "[ . 1 . 2]"
1 56 LEU 15.444 0.270 19 0 "[ . 1 . 2]"
1 57 ALA 4.311 0.127 8 0 "[ . 1 . 2]"
1 58 ARG 4.589 0.197 19 0 "[ . 1 . 2]"
1 59 LYS 3.073 0.270 19 0 "[ . 1 . 2]"
1 60 LEU 8.271 0.124 17 0 "[ . 1 . 2]"
1 61 THR 0.913 0.047 8 0 "[ . 1 . 2]"
1 62 HIS 10.020 0.239 1 0 "[ . 1 . 2]"
1 63 GLY 1.855 0.106 3 0 "[ . 1 . 2]"
1 64 VAL 5.434 0.252 10 0 "[ . 1 . 2]"
1 65 MET 7.045 0.205 9 0 "[ . 1 . 2]"
1 66 ASN 5.033 0.122 10 0 "[ . 1 . 2]"
1 67 LYS 2.718 0.250 17 0 "[ . 1 . 2]"
1 68 GLU 7.548 0.250 17 0 "[ . 1 . 2]"
1 69 LEU 4.994 0.184 3 0 "[ . 1 . 2]"
1 70 LYS 8.512 0.260 11 0 "[ . 1 . 2]"
1 71 TYR 5.252 0.221 17 0 "[ . 1 . 2]"
1 72 CYS 4.315 0.184 3 0 "[ . 1 . 2]"
1 73 LYS 2.826 0.158 9 0 "[ . 1 . 2]"
1 74 ASN 0.913 0.093 13 0 "[ . 1 . 2]"
1 75 PRO 12.681 0.237 18 0 "[ . 1 . 2]"
1 76 GLU 6.510 0.188 4 0 "[ . 1 . 2]"
1 77 ASP 5.901 0.225 4 0 "[ . 1 . 2]"
1 78 LEU 15.375 0.214 10 0 "[ . 1 . 2]"
1 79 GLU 13.518 0.214 10 0 "[ . 1 . 2]"
1 80 CYS 6.607 0.174 18 0 "[ . 1 . 2]"
1 81 ASN 29.820 0.311 5 0 "[ . 1 . 2]"
1 82 GLU 9.613 0.208 20 0 "[ . 1 . 2]"
1 83 ASN 5.417 0.311 5 0 "[ . 1 . 2]"
1 84 VAL 16.942 0.260 20 0 "[ . 1 . 2]"
1 85 LYS 8.271 0.186 16 0 "[ . 1 . 2]"
1 86 HIS 5.383 0.186 16 0 "[ . 1 . 2]"
1 87 LYS 8.970 0.199 12 0 "[ . 1 . 2]"
1 88 THR 17.330 0.210 14 0 "[ . 1 . 2]"
1 89 LYS 18.677 0.216 16 0 "[ . 1 . 2]"
1 90 GLU 5.077 0.216 16 0 "[ . 1 . 2]"
1 91 TYR 4.065 0.126 16 0 "[ . 1 . 2]"
1 92 ILE 18.120 0.222 1 0 "[ . 1 . 2]"
1 93 LYS 0.158 0.036 2 0 "[ . 1 . 2]"
1 94 LYS 6.974 0.210 19 0 "[ . 1 . 2]"
1 95 TYR 23.205 0.222 1 0 "[ . 1 . 2]"
1 96 MET 13.993 0.184 13 0 "[ . 1 . 2]"
1 97 GLN 11.858 0.210 19 0 "[ . 1 . 2]"
1 98 LYS 8.176 0.173 13 0 "[ . 1 . 2]"
1 99 PHE 11.939 0.228 18 0 "[ . 1 . 2]"
1 100 GLY 2.554 0.074 3 0 "[ . 1 . 2]"
1 101 ALA 1.986 0.074 3 0 "[ . 1 . 2]"
1 102 VAL 5.142 0.190 3 0 "[ . 1 . 2]"
1 103 TYR 9.272 0.159 7 0 "[ . 1 . 2]"
1 104 LYS 5.120 0.171 18 0 "[ . 1 . 2]"
1 105 PRO 7.292 0.139 9 0 "[ . 1 . 2]"
1 106 LYS 2.736 0.176 12 0 "[ . 1 . 2]"
1 107 GLU 2.784 0.176 12 0 "[ . 1 . 2]"
1 108 ASP 4.463 0.179 6 0 "[ . 1 . 2]"
1 109 THR 3.134 0.179 6 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 10 THR HA 1 10 THR HB 2.590 . 2.590 2.569 2.354 2.724 0.134 20 0 "[ . 1 . 2]" 1
2 1 10 THR HA 1 10 THR MG 3.370 . 3.370 2.357 2.096 3.241 . 0 0 "[ . 1 . 2]" 1
3 1 10 THR HA 1 11 SER H 3.080 . 3.080 2.572 2.015 3.128 0.048 6 0 "[ . 1 . 2]" 1
4 1 10 THR H 1 10 THR MG 3.660 . 3.660 2.815 1.984 3.380 . 0 0 "[ . 1 . 2]" 1
5 1 10 THR H 1 11 SER H 3.730 . 3.730 2.963 2.070 3.776 0.046 14 0 "[ . 1 . 2]" 1
6 1 11 SER HA 1 13 GLU H 4.110 . 4.110 4.247 4.201 4.303 0.193 8 0 "[ . 1 . 2]" 1
7 1 11 SER HA 1 14 LEU H 3.840 . 3.840 3.059 2.831 3.354 . 0 0 "[ . 1 . 2]" 1
8 1 11 SER HA 1 14 LEU HB3 4.770 . 4.770 2.057 1.887 2.395 . 0 0 "[ . 1 . 2]" 1
9 1 11 SER HA 1 14 LEU HB2 4.580 . 4.580 2.717 2.244 3.362 . 0 0 "[ . 1 . 2]" 1
10 1 11 SER HA 1 14 LEU QD 5.440 . 5.440 3.017 2.605 3.696 . 0 0 "[ . 1 . 2]" 1
11 1 11 SER HA 1 15 ALA H 4.150 . 4.150 3.243 2.691 3.692 . 0 0 "[ . 1 . 2]" 1
12 1 11 SER HA 1 15 ALA MB 5.500 . 5.500 3.572 3.033 4.161 . 0 0 "[ . 1 . 2]" 1
13 1 11 SER HA 1 75 PRO QG 4.600 . 4.600 4.742 4.673 4.837 0.237 18 0 "[ . 1 . 2]" 1
14 1 11 SER H 1 11 SER QB 3.360 . 3.360 2.359 2.268 2.501 . 0 0 "[ . 1 . 2]" 1
15 1 11 SER H 1 12 SER QB 4.350 . 4.350 4.389 4.342 4.445 0.095 16 0 "[ . 1 . 2]" 1
16 1 11 SER H 1 13 GLU H 5.200 . 5.200 4.533 4.280 4.698 . 0 0 "[ . 1 . 2]" 1
17 1 11 SER QB 1 12 SER QB 4.180 . 4.180 4.241 4.191 4.301 0.121 5 0 "[ . 1 . 2]" 1
18 1 11 SER QB 1 13 GLU QG 5.340 . 5.340 5.492 5.435 5.546 0.206 16 0 "[ . 1 . 2]" 1
19 1 11 SER QB 1 14 LEU HB3 5.500 . 5.500 3.705 3.445 4.261 . 0 0 "[ . 1 . 2]" 1
20 1 11 SER QB 1 14 LEU HB2 5.210 . 5.210 4.611 4.220 5.242 0.032 6 0 "[ . 1 . 2]" 1
21 1 11 SER QB 1 14 LEU QD 5.440 . 5.440 3.746 3.156 4.559 . 0 0 "[ . 1 . 2]" 1
22 1 11 SER QB 1 15 ALA MB 4.030 . 4.030 3.340 2.843 3.915 . 0 0 "[ . 1 . 2]" 1
23 1 11 SER QB 1 75 PRO HB2 5.090 . 5.090 4.954 4.503 5.163 0.073 20 0 "[ . 1 . 2]" 1
24 1 11 SER QB 1 75 PRO QG 5.500 . 5.500 3.505 3.021 3.836 . 0 0 "[ . 1 . 2]" 1
25 1 12 SER HA 1 15 ALA MB 4.180 . 4.180 3.441 2.962 3.892 . 0 0 "[ . 1 . 2]" 1
26 1 12 SER HA 1 75 PRO QG 4.070 . 4.070 3.857 3.299 4.074 0.004 7 0 "[ . 1 . 2]" 1
27 1 12 SER QB 1 75 PRO QG 5.260 . 5.260 5.201 4.663 5.363 0.103 4 0 "[ . 1 . 2]" 1
28 1 13 GLU H 1 13 GLU QB 3.140 . 3.140 2.562 2.493 2.675 . 0 0 "[ . 1 . 2]" 1
29 1 13 GLU H 1 13 GLU HG3 4.220 . 4.220 2.678 1.909 3.041 . 0 0 "[ . 1 . 2]" 1
30 1 13 GLU H 1 13 GLU HG2 4.220 . 4.220 1.918 1.763 2.832 0.037 17 0 "[ . 1 . 2]" 1
31 1 13 GLU H 1 13 GLU QG 3.640 . 3.640 1.808 1.746 1.988 0.054 17 0 "[ . 1 . 2]" 1
32 1 13 GLU H 1 14 LEU H 3.200 . 3.200 2.411 2.311 2.519 . 0 0 "[ . 1 . 2]" 1
33 1 13 GLU QB 1 14 LEU H 3.530 . 3.530 3.436 3.325 3.532 0.002 11 0 "[ . 1 . 2]" 1
34 1 13 GLU QG 1 14 LEU H 4.290 . 4.290 2.125 1.905 2.388 . 0 0 "[ . 1 . 2]" 1
35 1 14 LEU HA 1 14 LEU HG 3.860 . 3.860 2.937 2.526 3.786 . 0 0 "[ . 1 . 2]" 1
36 1 14 LEU HA 1 14 LEU QD 3.260 . 3.260 2.425 1.987 3.025 . 0 0 "[ . 1 . 2]" 1
37 1 14 LEU HA 1 14 LEU MD1 3.900 . 3.900 3.067 2.032 3.858 . 0 0 "[ . 1 . 2]" 1
38 1 14 LEU HA 1 14 LEU MD2 3.900 . 3.900 3.104 2.045 3.904 0.004 11 0 "[ . 1 . 2]" 1
39 1 14 LEU HA 1 15 ALA HA 5.500 . 5.500 4.576 4.480 4.730 . 0 0 "[ . 1 . 2]" 1
40 1 14 LEU H 1 14 LEU HB2 2.550 . 2.550 2.216 2.086 2.332 . 0 0 "[ . 1 . 2]" 1
41 1 14 LEU H 1 14 LEU QD 4.460 . 4.460 3.670 3.475 3.749 . 0 0 "[ . 1 . 2]" 1
42 1 14 LEU H 1 16 LYS H 4.340 . 4.340 3.883 3.702 4.183 . 0 0 "[ . 1 . 2]" 1
43 1 14 LEU HB2 1 15 ALA H 3.420 . 3.420 3.465 3.395 3.515 0.095 8 0 "[ . 1 . 2]" 1
44 1 14 LEU QD 1 15 ALA H 5.240 . 5.240 3.647 3.276 3.944 . 0 0 "[ . 1 . 2]" 1
45 1 15 ALA HA 1 16 LYS H 3.520 . 3.520 3.390 3.289 3.529 0.009 7 0 "[ . 1 . 2]" 1
46 1 15 ALA HA 1 18 SER H 3.640 . 3.640 2.402 2.231 2.585 . 0 0 "[ . 1 . 2]" 1
47 1 15 ALA HA 1 18 SER QB 3.500 . 3.500 2.087 1.855 3.033 . 0 0 "[ . 1 . 2]" 1
48 1 15 ALA HA 1 19 LYS QG 4.740 . 4.740 3.835 3.323 4.245 . 0 0 "[ . 1 . 2]" 1
49 1 15 ALA HA 1 75 PRO HB3 5.500 . 5.500 5.228 4.530 5.568 0.068 10 0 "[ . 1 . 2]" 1
50 1 15 ALA HA 1 75 PRO HB2 4.670 . 4.670 3.728 3.134 4.076 . 0 0 "[ . 1 . 2]" 1
51 1 15 ALA HA 1 75 PRO QG 4.580 . 4.580 4.241 3.752 4.496 . 0 0 "[ . 1 . 2]" 1
52 1 15 ALA H 1 15 ALA HA 2.820 . 2.820 2.874 2.845 2.898 0.078 15 0 "[ . 1 . 2]" 1
53 1 15 ALA H 1 15 ALA MB 2.860 . 2.860 2.369 2.254 2.457 . 0 0 "[ . 1 . 2]" 1
54 1 15 ALA H 1 16 LYS H 3.080 . 3.080 2.334 2.176 2.471 . 0 0 "[ . 1 . 2]" 1
55 1 15 ALA H 1 19 LYS QG 5.340 . 5.340 5.384 5.233 5.503 0.163 9 0 "[ . 1 . 2]" 1
56 1 15 ALA MB 1 16 LYS H 3.690 . 3.690 3.026 2.693 3.241 . 0 0 "[ . 1 . 2]" 1
57 1 15 ALA MB 1 18 SER H 3.800 . 3.800 3.864 3.778 3.957 0.157 3 0 "[ . 1 . 2]" 1
58 1 15 ALA MB 1 18 SER QB 4.250 . 4.250 2.970 2.500 4.090 . 0 0 "[ . 1 . 2]" 1
59 1 15 ALA MB 1 19 LYS H 4.910 . 4.910 3.706 3.468 3.917 . 0 0 "[ . 1 . 2]" 1
60 1 15 ALA MB 1 19 LYS QE 5.160 . 5.160 4.197 2.738 5.159 . 0 0 "[ . 1 . 2]" 1
61 1 15 ALA MB 1 19 LYS QG 2.990 . 2.990 2.773 2.423 3.094 0.104 6 0 "[ . 1 . 2]" 1
62 1 15 ALA MB 1 75 PRO HA 4.640 . 4.640 4.096 3.979 4.365 . 0 0 "[ . 1 . 2]" 1
63 1 15 ALA MB 1 75 PRO HB3 3.900 . 3.900 3.040 2.865 3.169 . 0 0 "[ . 1 . 2]" 1
64 1 15 ALA MB 1 75 PRO HB2 3.630 . 3.630 1.945 1.777 2.352 0.023 9 0 "[ . 1 . 2]" 1
65 1 15 ALA MB 1 75 PRO QG 3.990 . 3.990 1.919 1.788 2.026 0.012 4 0 "[ . 1 . 2]" 1
66 1 15 ALA MB 1 76 GLU H 3.790 . 3.790 3.885 3.756 3.978 0.188 4 0 "[ . 1 . 2]" 1
67 1 16 LYS HA 1 17 LYS QD 4.630 . 4.630 4.532 4.345 4.726 0.096 2 0 "[ . 1 . 2]" 1
68 1 16 LYS HA 1 19 LYS QG 4.320 . 4.320 3.198 2.261 4.048 . 0 0 "[ . 1 . 2]" 1
69 1 16 LYS H 1 17 LYS H 2.780 . 2.780 2.487 2.376 2.703 . 0 0 "[ . 1 . 2]" 1
70 1 16 LYS H 1 18 SER H 4.430 . 4.430 3.748 3.617 3.869 . 0 0 "[ . 1 . 2]" 1
71 1 17 LYS HA 1 17 LYS QD 3.650 . 3.650 2.862 1.920 3.424 . 0 0 "[ . 1 . 2]" 1
72 1 17 LYS HA 1 17 LYS QE 5.250 . 5.250 4.229 2.718 4.719 . 0 0 "[ . 1 . 2]" 1
73 1 17 LYS HA 1 17 LYS HG3 3.950 . 3.950 2.724 2.379 3.886 . 0 0 "[ . 1 . 2]" 1
74 1 17 LYS HA 1 17 LYS HG2 3.950 . 3.950 3.661 3.219 3.824 . 0 0 "[ . 1 . 2]" 1
75 1 17 LYS HA 1 17 LYS QG 3.440 . 3.440 2.589 2.348 3.220 . 0 0 "[ . 1 . 2]" 1
76 1 17 LYS HA 1 20 GLU QG 3.430 . 3.430 2.614 2.032 3.279 . 0 0 "[ . 1 . 2]" 1
77 1 17 LYS HA 1 21 VAL QG 5.260 . 5.260 3.696 3.376 3.991 . 0 0 "[ . 1 . 2]" 1
78 1 17 LYS H 1 17 LYS QB 2.640 . 2.640 2.416 2.136 2.626 . 0 0 "[ . 1 . 2]" 1
79 1 17 LYS H 1 17 LYS QG 4.390 . 4.390 3.266 2.041 3.689 . 0 0 "[ . 1 . 2]" 1
80 1 17 LYS H 1 18 SER H 2.820 . 2.820 2.451 2.382 2.620 . 0 0 "[ . 1 . 2]" 1
81 1 17 LYS QB 1 17 LYS QD 3.260 . 3.260 2.427 2.211 2.808 . 0 0 "[ . 1 . 2]" 1
82 1 17 LYS QB 1 18 SER H 3.400 . 3.400 2.704 2.538 2.918 . 0 0 "[ . 1 . 2]" 1
83 1 17 LYS QB 1 21 VAL QG 4.460 . 4.460 2.986 2.713 3.207 . 0 0 "[ . 1 . 2]" 1
84 1 17 LYS QE 1 17 LYS HG3 3.600 . 3.600 2.697 2.366 3.527 . 0 0 "[ . 1 . 2]" 1
85 1 17 LYS QE 1 17 LYS HG2 3.600 . 3.600 2.614 2.271 3.323 . 0 0 "[ . 1 . 2]" 1
86 1 17 LYS QE 1 17 LYS QG 3.000 . 3.000 2.291 2.110 2.756 . 0 0 "[ . 1 . 2]" 1
87 1 18 SER HA 1 21 VAL HB 3.820 . 3.820 2.486 2.145 2.745 . 0 0 "[ . 1 . 2]" 1
88 1 18 SER HA 1 21 VAL QG 4.340 . 4.340 2.966 2.502 3.315 . 0 0 "[ . 1 . 2]" 1
89 1 18 SER HA 1 21 VAL MG1 5.050 . 5.050 3.944 3.672 4.191 . 0 0 "[ . 1 . 2]" 1
90 1 18 SER HA 1 21 VAL MG2 5.050 . 5.050 3.072 2.546 3.473 . 0 0 "[ . 1 . 2]" 1
91 1 18 SER HA 1 22 PHE H 4.320 . 4.320 3.574 3.358 3.733 . 0 0 "[ . 1 . 2]" 1
92 1 18 SER H 1 18 SER QB 2.630 . 2.630 2.463 2.229 2.649 0.019 3 0 "[ . 1 . 2]" 1
93 1 18 SER H 1 19 LYS H 3.060 . 3.060 2.753 2.589 2.945 . 0 0 "[ . 1 . 2]" 1
94 1 18 SER H 1 19 LYS QG 4.400 . 4.400 4.287 4.031 4.435 0.035 17 0 "[ . 1 . 2]" 1
95 1 18 SER H 1 20 GLU H 4.750 . 4.750 4.256 4.016 4.546 . 0 0 "[ . 1 . 2]" 1
96 1 18 SER H 1 20 GLU QG 5.500 . 5.500 4.752 4.289 5.236 . 0 0 "[ . 1 . 2]" 1
97 1 18 SER H 1 21 VAL QG 4.880 . 4.880 4.345 3.907 4.593 . 0 0 "[ . 1 . 2]" 1
98 1 18 SER QB 1 19 LYS H 3.130 . 3.130 2.959 2.796 3.280 0.150 3 0 "[ . 1 . 2]" 1
99 1 18 SER QB 1 21 VAL HB 5.500 . 5.500 4.268 3.704 4.780 . 0 0 "[ . 1 . 2]" 1
100 1 18 SER QB 1 21 VAL H 5.260 . 5.260 4.926 4.640 5.131 . 0 0 "[ . 1 . 2]" 1
101 1 18 SER QB 1 21 VAL QG 5.440 . 5.440 4.275 3.876 4.624 . 0 0 "[ . 1 . 2]" 1
102 1 18 SER QB 1 75 PRO HB3 5.140 . 5.140 4.930 4.614 5.193 0.053 4 0 "[ . 1 . 2]" 1
103 1 18 SER QB 1 75 PRO HB2 4.640 . 4.640 3.708 3.452 4.102 . 0 0 "[ . 1 . 2]" 1
104 1 18 SER QB 1 78 LEU HG 5.500 . 5.500 4.599 3.776 5.481 . 0 0 "[ . 1 . 2]" 1
105 1 18 SER QB 1 78 LEU HB3 4.430 . 4.430 3.861 3.460 4.416 . 0 0 "[ . 1 . 2]" 1
106 1 18 SER QB 1 78 LEU MD2 4.660 . 4.660 3.498 2.960 4.141 . 0 0 "[ . 1 . 2]" 1
107 1 19 LYS HA 1 19 LYS QB 2.430 . 2.430 2.330 2.274 2.384 . 0 0 "[ . 1 . 2]" 1
108 1 19 LYS HA 1 19 LYS QD 4.010 . 4.010 3.615 2.326 4.162 0.152 14 0 "[ . 1 . 2]" 1
109 1 19 LYS HA 1 19 LYS QE 5.500 . 5.500 4.345 3.305 5.139 . 0 0 "[ . 1 . 2]" 1
110 1 19 LYS HA 1 19 LYS HG3 4.110 . 4.110 3.542 3.079 3.939 . 0 0 "[ . 1 . 2]" 1
111 1 19 LYS HA 1 19 LYS HG2 4.110 . 4.110 2.706 2.411 3.152 . 0 0 "[ . 1 . 2]" 1
112 1 19 LYS HA 1 22 PHE H 3.900 . 3.900 3.505 3.283 3.871 . 0 0 "[ . 1 . 2]" 1
113 1 19 LYS HA 1 22 PHE HB3 4.290 . 4.290 2.403 2.145 2.957 . 0 0 "[ . 1 . 2]" 1
114 1 19 LYS HA 1 22 PHE QD 3.550 . 3.550 2.730 2.526 3.044 . 0 0 "[ . 1 . 2]" 1
115 1 19 LYS HA 1 22 PHE QE 5.490 . 5.490 4.888 4.637 5.111 . 0 0 "[ . 1 . 2]" 1
116 1 19 LYS HA 1 23 ARG H 3.360 . 3.360 3.470 3.417 3.581 0.221 12 0 "[ . 1 . 2]" 1
117 1 19 LYS HA 1 65 MET ME 4.070 . 4.070 3.969 3.511 4.146 0.076 20 0 "[ . 1 . 2]" 1
118 1 19 LYS HA 1 78 LEU MD2 3.300 . 3.300 2.296 2.064 2.586 . 0 0 "[ . 1 . 2]" 1
119 1 19 LYS H 1 19 LYS HA 2.940 . 2.940 2.865 2.788 2.921 . 0 0 "[ . 1 . 2]" 1
120 1 19 LYS H 1 19 LYS QB 2.810 . 2.810 2.580 2.433 2.733 . 0 0 "[ . 1 . 2]" 1
121 1 19 LYS H 1 19 LYS HG3 3.890 . 3.890 2.595 2.103 3.550 . 0 0 "[ . 1 . 2]" 1
122 1 19 LYS H 1 19 LYS HG2 3.890 . 3.890 2.909 2.253 3.343 . 0 0 "[ . 1 . 2]" 1
123 1 19 LYS H 1 19 LYS QG 3.010 . 3.010 2.279 2.056 2.441 . 0 0 "[ . 1 . 2]" 1
124 1 19 LYS H 1 20 GLU H 3.070 . 3.070 2.600 2.451 2.929 . 0 0 "[ . 1 . 2]" 1
125 1 19 LYS H 1 20 GLU QG 5.440 . 5.440 3.870 3.488 4.300 . 0 0 "[ . 1 . 2]" 1
126 1 19 LYS H 1 23 ARG H 5.500 . 5.500 5.587 5.562 5.616 0.116 17 0 "[ . 1 . 2]" 1
127 1 19 LYS H 1 78 LEU MD2 4.530 . 4.530 3.638 3.147 4.039 . 0 0 "[ . 1 . 2]" 1
128 1 19 LYS QB 1 19 LYS QD 2.760 . 2.760 2.303 2.023 2.664 . 0 0 "[ . 1 . 2]" 1
129 1 19 LYS QB 1 19 LYS QE 3.430 . 3.430 2.438 1.883 3.666 0.236 5 0 "[ . 1 . 2]" 1
130 1 19 LYS QB 1 20 GLU H 2.780 . 2.780 2.671 2.190 2.830 0.050 7 0 "[ . 1 . 2]" 1
131 1 19 LYS QB 1 78 LEU MD2 3.920 . 3.920 3.049 2.580 3.707 . 0 0 "[ . 1 . 2]" 1
132 1 19 LYS QD 1 65 MET ME 3.380 . 3.380 2.623 2.032 3.585 0.205 9 0 "[ . 1 . 2]" 1
133 1 19 LYS QD 1 75 PRO HA 5.500 . 5.500 5.117 4.414 5.541 0.041 8 0 "[ . 1 . 2]" 1
134 1 19 LYS QD 1 78 LEU MD2 3.790 . 3.790 2.535 1.842 3.412 . 0 0 "[ . 1 . 2]" 1
135 1 19 LYS QE 1 65 MET ME 3.990 . 3.990 2.968 1.900 4.048 0.058 8 0 "[ . 1 . 2]" 1
136 1 19 LYS QE 1 69 LEU QD 4.400 . 4.400 3.116 1.879 4.289 . 0 0 "[ . 1 . 2]" 1
137 1 19 LYS QE 1 69 LEU MD1 5.170 . 5.170 3.333 2.026 4.786 . 0 0 "[ . 1 . 2]" 1
138 1 19 LYS QE 1 69 LEU MD2 5.170 . 5.170 3.879 2.216 4.878 . 0 0 "[ . 1 . 2]" 1
139 1 19 LYS QE 1 78 LEU MD1 5.500 . 5.500 5.206 4.129 5.658 0.158 4 0 "[ . 1 . 2]" 1
140 1 19 LYS QE 1 78 LEU MD2 5.040 . 5.040 3.574 2.380 4.095 . 0 0 "[ . 1 . 2]" 1
141 1 19 LYS QE 1 19 LYS HG3 3.650 . 3.650 2.750 2.348 3.318 . 0 0 "[ . 1 . 2]" 1
142 1 19 LYS HG3 1 20 GLU H 4.930 . 4.930 4.326 4.074 4.809 . 0 0 "[ . 1 . 2]" 1
143 1 19 LYS HG3 1 78 LEU MD2 4.610 . 4.610 3.339 2.771 4.252 . 0 0 "[ . 1 . 2]" 1
144 1 19 LYS QE 1 19 LYS HG2 3.650 . 3.650 3.082 2.247 3.522 . 0 0 "[ . 1 . 2]" 1
145 1 19 LYS HG2 1 20 GLU H 4.930 . 4.930 4.730 4.200 4.982 0.052 14 0 "[ . 1 . 2]" 1
146 1 19 LYS HG2 1 78 LEU MD2 4.610 . 4.610 2.108 1.783 3.431 0.017 11 0 "[ . 1 . 2]" 1
147 1 19 LYS QD 1 19 LYS QG 2.310 . 2.310 2.012 1.965 2.078 . 0 0 "[ . 1 . 2]" 1
148 1 19 LYS QG 1 20 GLU H 4.180 . 4.180 3.983 3.828 4.132 . 0 0 "[ . 1 . 2]" 1
149 1 19 LYS QG 1 65 MET ME 4.570 . 4.570 3.760 2.946 4.408 . 0 0 "[ . 1 . 2]" 1
150 1 19 LYS QG 1 69 LEU QD 4.760 . 4.760 3.334 2.824 4.227 . 0 0 "[ . 1 . 2]" 1
151 1 19 LYS QG 1 75 PRO QG 4.460 . 4.460 3.821 3.318 4.236 . 0 0 "[ . 1 . 2]" 1
152 1 19 LYS QG 1 78 LEU MD2 3.970 . 3.970 2.076 1.772 3.294 0.028 4 0 "[ . 1 . 2]" 1
153 1 20 GLU HA 1 23 ARG HG3 4.470 . 4.470 2.195 1.948 2.601 . 0 0 "[ . 1 . 2]" 1
154 1 20 GLU H 1 20 GLU HA 2.860 . 2.860 2.853 2.801 2.876 0.016 4 0 "[ . 1 . 2]" 1
155 1 20 GLU H 1 20 GLU QG 3.100 . 3.100 1.985 1.798 2.346 0.002 8 0 "[ . 1 . 2]" 1
156 1 20 GLU H 1 21 VAL HA 5.500 . 5.500 5.164 5.027 5.285 . 0 0 "[ . 1 . 2]" 1
157 1 20 GLU H 1 21 VAL H 2.820 . 2.820 2.515 2.344 2.710 . 0 0 "[ . 1 . 2]" 1
158 1 20 GLU H 1 21 VAL QG 4.770 . 4.770 3.942 3.664 4.184 . 0 0 "[ . 1 . 2]" 1
159 1 20 GLU H 1 22 PHE H 4.820 . 4.820 3.847 3.600 4.298 . 0 0 "[ . 1 . 2]" 1
160 1 20 GLU QG 1 21 VAL H 3.740 . 3.740 3.059 2.208 3.692 . 0 0 "[ . 1 . 2]" 1
161 1 20 GLU QG 1 22 PHE H 4.910 . 4.910 4.923 4.515 5.174 0.264 18 0 "[ . 1 . 2]" 1
162 1 21 VAL HA 1 21 VAL QG 2.860 . 2.860 2.153 2.135 2.164 . 0 0 "[ . 1 . 2]" 1
163 1 21 VAL HA 1 21 VAL MG1 3.330 . 3.330 2.412 2.362 2.457 . 0 0 "[ . 1 . 2]" 1
164 1 21 VAL HA 1 21 VAL MG2 3.330 . 3.330 2.423 2.345 2.474 . 0 0 "[ . 1 . 2]" 1
165 1 21 VAL HA 1 24 LYS H 3.770 . 3.770 3.501 3.306 3.717 . 0 0 "[ . 1 . 2]" 1
166 1 21 VAL HA 1 24 LYS QB 3.320 . 3.320 2.633 2.337 2.884 . 0 0 "[ . 1 . 2]" 1
167 1 21 VAL HA 1 25 GLU H 4.430 . 4.430 4.107 3.946 4.222 . 0 0 "[ . 1 . 2]" 1
168 1 21 VAL H 1 21 VAL HB 2.500 . 2.500 2.514 2.477 2.531 0.031 18 0 "[ . 1 . 2]" 1
169 1 21 VAL HB 1 22 PHE H 2.670 . 2.670 2.619 2.510 2.700 0.030 20 0 "[ . 1 . 2]" 1
170 1 21 VAL H 1 21 VAL MG2 2.670 . 2.670 2.128 2.008 2.256 . 0 0 "[ . 1 . 2]" 1
171 1 21 VAL H 1 22 PHE H 2.640 . 2.640 2.601 2.496 2.708 0.068 5 0 "[ . 1 . 2]" 1
172 1 21 VAL H 1 22 PHE HB3 4.460 . 4.460 4.506 4.466 4.547 0.087 18 0 "[ . 1 . 2]" 1
173 1 21 VAL H 1 23 ARG H 4.690 . 4.690 4.251 4.127 4.340 . 0 0 "[ . 1 . 2]" 1
174 1 21 VAL H 1 23 ARG HG3 5.500 . 5.500 4.657 4.451 5.154 . 0 0 "[ . 1 . 2]" 1
175 1 21 VAL QG 1 22 PHE HA 3.910 . 3.910 3.471 3.325 3.583 . 0 0 "[ . 1 . 2]" 1
176 1 21 VAL QG 1 22 PHE H 3.500 . 3.500 3.214 3.090 3.271 . 0 0 "[ . 1 . 2]" 1
177 1 21 VAL QG 1 22 PHE HB3 5.440 . 5.440 4.669 4.525 4.763 . 0 0 "[ . 1 . 2]" 1
178 1 21 VAL QG 1 24 LYS QB 3.820 . 3.820 3.530 3.341 3.829 0.009 18 0 "[ . 1 . 2]" 1
179 1 21 VAL QG 1 25 GLU HG3 4.110 . 4.110 3.562 2.885 4.051 . 0 0 "[ . 1 . 2]" 1
180 1 21 VAL QG 1 25 GLU HG2 4.040 . 4.040 2.869 2.613 3.015 . 0 0 "[ . 1 . 2]" 1
181 1 21 VAL QG 1 80 CYS H 5.440 . 5.440 4.793 4.555 5.014 . 0 0 "[ . 1 . 2]" 1
182 1 21 VAL QG 1 80 CYS HB3 5.440 . 5.440 4.812 4.592 5.056 . 0 0 "[ . 1 . 2]" 1
183 1 21 VAL MG1 1 22 PHE H 3.700 . 3.700 3.459 3.240 3.533 . 0 0 "[ . 1 . 2]" 1
184 1 21 VAL MG1 1 24 LYS QB 4.910 . 4.910 3.740 3.527 4.057 . 0 0 "[ . 1 . 2]" 1
185 1 21 VAL MG2 1 22 PHE H 4.500 . 4.500 3.824 3.696 3.913 . 0 0 "[ . 1 . 2]" 1
186 1 21 VAL MG2 1 24 LYS QB 4.910 . 4.910 4.333 4.101 4.699 . 0 0 "[ . 1 . 2]" 1
187 1 22 PHE HA 1 22 PHE QD 3.090 . 3.090 2.716 2.572 2.820 . 0 0 "[ . 1 . 2]" 1
188 1 22 PHE HA 1 22 PHE QE 4.870 . 4.870 4.800 4.715 4.882 0.012 16 0 "[ . 1 . 2]" 1
189 1 22 PHE HA 1 25 GLU H 3.540 . 3.540 3.458 3.382 3.544 0.004 12 0 "[ . 1 . 2]" 1
190 1 22 PHE HA 1 25 GLU QB 4.230 . 4.230 3.798 3.057 4.355 0.125 15 0 "[ . 1 . 2]" 1
191 1 22 PHE HA 1 78 LEU QD 5.500 . 5.500 5.078 4.886 5.236 . 0 0 "[ . 1 . 2]" 1
192 1 22 PHE HA 1 80 CYS H 4.990 . 4.990 3.180 2.922 3.425 . 0 0 "[ . 1 . 2]" 1
193 1 22 PHE HA 1 80 CYS HB3 4.260 . 4.260 3.183 3.048 3.462 . 0 0 "[ . 1 . 2]" 1
194 1 22 PHE HA 1 80 CYS HB2 5.150 . 5.150 3.052 2.773 3.330 . 0 0 "[ . 1 . 2]" 1
195 1 22 PHE H 1 22 PHE HA 2.870 . 2.870 2.848 2.800 2.889 0.019 18 0 "[ . 1 . 2]" 1
196 1 22 PHE H 1 22 PHE HB3 2.720 . 2.720 2.213 2.144 2.285 . 0 0 "[ . 1 . 2]" 1
197 1 22 PHE H 1 22 PHE HB2 3.040 . 3.040 2.918 2.822 3.016 . 0 0 "[ . 1 . 2]" 1
198 1 22 PHE H 1 22 PHE QD 4.270 . 4.270 4.044 3.974 4.080 . 0 0 "[ . 1 . 2]" 1
199 1 22 PHE H 1 23 ARG H 3.120 . 3.120 2.656 2.598 2.783 . 0 0 "[ . 1 . 2]" 1
200 1 22 PHE H 1 23 ARG HG3 4.950 . 4.950 4.449 4.187 4.966 0.016 5 0 "[ . 1 . 2]" 1
201 1 22 PHE H 1 23 ARG HG2 5.500 . 5.500 5.403 4.759 5.576 0.076 3 0 "[ . 1 . 2]" 1
202 1 22 PHE H 1 78 LEU MD2 4.890 . 4.890 4.739 4.464 4.917 0.027 20 0 "[ . 1 . 2]" 1
203 1 22 PHE HZ 1 23 ARG QB 5.500 . 5.500 5.479 5.347 5.563 0.063 14 0 "[ . 1 . 2]" 1
204 1 22 PHE HZ 1 26 MET ME 4.500 . 4.500 4.479 4.295 4.629 0.129 13 0 "[ . 1 . 2]" 1
205 1 22 PHE HZ 1 26 MET HB3 5.470 . 5.470 4.568 4.367 4.797 . 0 0 "[ . 1 . 2]" 1
206 1 22 PHE HZ 1 64 VAL HB 4.220 . 4.220 3.405 3.193 3.609 . 0 0 "[ . 1 . 2]" 1
207 1 22 PHE HZ 1 64 VAL QG 4.410 . 4.410 2.769 2.189 3.003 . 0 0 "[ . 1 . 2]" 1
208 1 22 PHE HZ 1 65 MET HA 4.800 . 4.800 2.449 2.367 2.550 . 0 0 "[ . 1 . 2]" 1
209 1 22 PHE HZ 1 65 MET HB3 4.420 . 4.420 4.435 4.366 4.483 0.063 10 0 "[ . 1 . 2]" 1
210 1 22 PHE HZ 1 66 ASN H 5.500 . 5.500 5.543 5.502 5.607 0.107 10 0 "[ . 1 . 2]" 1
211 1 22 PHE HZ 1 68 GLU H 5.500 . 5.500 5.442 5.284 5.543 0.043 12 0 "[ . 1 . 2]" 1
212 1 22 PHE HZ 1 68 GLU HG3 4.670 . 4.670 4.320 4.132 4.535 . 0 0 "[ . 1 . 2]" 1
213 1 22 PHE HZ 1 68 GLU HG2 4.890 . 4.890 3.777 3.548 4.027 . 0 0 "[ . 1 . 2]" 1
214 1 22 PHE HZ 1 69 LEU QD 5.440 . 5.440 5.324 4.771 5.509 0.069 14 0 "[ . 1 . 2]" 1
215 1 22 PHE HZ 1 78 LEU MD1 4.510 . 4.510 3.370 3.170 3.575 . 0 0 "[ . 1 . 2]" 1
216 1 22 PHE HZ 1 78 LEU MD2 5.240 . 5.240 5.100 4.735 5.295 0.055 19 0 "[ . 1 . 2]" 1
217 1 22 PHE HZ 1 84 VAL MG2 4.590 . 4.590 4.569 4.437 4.643 0.053 15 0 "[ . 1 . 2]" 1
218 1 22 PHE HZ 1 84 VAL MG1 3.330 . 3.330 3.270 3.125 3.344 0.014 2 0 "[ . 1 . 2]" 1
219 1 22 PHE HB3 1 23 ARG H 3.300 . 3.300 2.485 2.407 2.591 . 0 0 "[ . 1 . 2]" 1
220 1 22 PHE HB3 1 78 LEU HG 5.250 . 5.250 3.339 3.182 3.710 . 0 0 "[ . 1 . 2]" 1
221 1 22 PHE HB3 1 78 LEU MD1 5.500 . 5.500 4.224 3.831 4.535 . 0 0 "[ . 1 . 2]" 1
222 1 22 PHE HB3 1 78 LEU MD2 4.300 . 4.300 3.217 2.975 3.374 . 0 0 "[ . 1 . 2]" 1
223 1 22 PHE HB2 1 78 LEU HG 5.440 . 5.440 3.190 2.912 3.364 . 0 0 "[ . 1 . 2]" 1
224 1 22 PHE HB2 1 78 LEU MD1 5.340 . 5.340 4.336 3.883 4.625 . 0 0 "[ . 1 . 2]" 1
225 1 22 PHE HB2 1 78 LEU MD2 4.120 . 4.120 3.868 3.523 4.077 . 0 0 "[ . 1 . 2]" 1
226 1 22 PHE QD 1 23 ARG HA 3.930 . 3.930 3.714 3.477 3.874 . 0 0 "[ . 1 . 2]" 1
227 1 22 PHE QD 1 23 ARG H 3.510 . 3.510 2.924 2.816 3.146 . 0 0 "[ . 1 . 2]" 1
228 1 22 PHE QD 1 25 GLU HG3 4.030 . 4.030 3.891 3.327 4.180 0.150 9 0 "[ . 1 . 2]" 1
229 1 22 PHE QD 1 25 GLU HG2 5.500 . 5.500 5.088 4.557 5.414 . 0 0 "[ . 1 . 2]" 1
230 1 22 PHE QD 1 26 MET H 4.390 . 4.390 4.353 4.070 4.440 0.050 5 0 "[ . 1 . 2]" 1
231 1 22 PHE QD 1 26 MET HB3 5.500 . 5.500 4.401 4.141 4.552 . 0 0 "[ . 1 . 2]" 1
232 1 22 PHE QD 1 65 MET ME 4.540 . 4.540 3.719 3.394 4.016 . 0 0 "[ . 1 . 2]" 1
233 1 22 PHE QD 1 65 MET QG 4.510 . 4.510 3.171 3.009 3.368 . 0 0 "[ . 1 . 2]" 1
234 1 22 PHE QD 1 68 GLU HG3 5.500 . 5.500 5.550 5.476 5.604 0.104 6 0 "[ . 1 . 2]" 1
235 1 22 PHE QD 1 78 LEU HG 5.500 . 5.500 3.137 2.750 3.453 . 0 0 "[ . 1 . 2]" 1
236 1 22 PHE QD 1 78 LEU MD1 5.430 . 5.430 2.904 2.648 3.297 . 0 0 "[ . 1 . 2]" 1
237 1 22 PHE QD 1 78 LEU MD2 3.240 . 3.240 2.496 2.211 2.716 . 0 0 "[ . 1 . 2]" 1
238 1 22 PHE QD 1 79 GLU HA 3.770 . 3.770 3.392 3.251 3.592 . 0 0 "[ . 1 . 2]" 1
239 1 22 PHE QD 1 79 GLU H 4.200 . 4.200 4.198 4.073 4.254 0.054 10 0 "[ . 1 . 2]" 1
240 1 22 PHE QD 1 80 CYS HA 3.160 . 3.160 2.614 2.410 2.770 . 0 0 "[ . 1 . 2]" 1
241 1 22 PHE QD 1 80 CYS H 3.420 . 3.420 2.560 2.446 2.692 . 0 0 "[ . 1 . 2]" 1
242 1 22 PHE QD 1 80 CYS HB3 3.200 . 3.200 3.133 3.013 3.224 0.024 12 0 "[ . 1 . 2]" 1
243 1 22 PHE QD 1 80 CYS HB2 3.460 . 3.460 1.994 1.899 2.204 . 0 0 "[ . 1 . 2]" 1
244 1 22 PHE QD 1 84 VAL MG1 3.910 . 3.910 3.485 3.260 3.640 . 0 0 "[ . 1 . 2]" 1
245 1 22 PHE QE 1 23 ARG HA 5.100 . 5.100 4.065 3.814 4.259 . 0 0 "[ . 1 . 2]" 1
246 1 22 PHE QE 1 26 MET HB3 5.500 . 5.500 4.041 3.852 4.227 . 0 0 "[ . 1 . 2]" 1
247 1 22 PHE QE 1 26 MET HB2 4.090 . 4.090 3.026 2.903 3.226 . 0 0 "[ . 1 . 2]" 1
248 1 22 PHE QE 1 26 MET QG 4.410 . 4.410 3.241 2.447 3.843 . 0 0 "[ . 1 . 2]" 1
249 1 22 PHE QE 1 26 MET ME 3.210 . 3.210 3.232 3.053 3.326 0.116 15 0 "[ . 1 . 2]" 1
250 1 22 PHE QE 1 62 HIS HA 5.500 . 5.500 5.036 4.749 5.506 0.006 11 0 "[ . 1 . 2]" 1
251 1 22 PHE QE 1 64 VAL QG 3.820 . 3.820 3.394 3.067 3.605 . 0 0 "[ . 1 . 2]" 1
252 1 22 PHE QE 1 65 MET HA 3.570 . 3.570 2.357 2.152 2.597 . 0 0 "[ . 1 . 2]" 1
253 1 22 PHE QE 1 65 MET H 4.240 . 4.240 4.076 3.969 4.243 0.003 18 0 "[ . 1 . 2]" 1
254 1 22 PHE QE 1 65 MET HB3 4.460 . 4.460 3.452 3.336 3.607 . 0 0 "[ . 1 . 2]" 1
255 1 22 PHE QE 1 65 MET HB2 2.900 . 2.900 1.998 1.901 2.139 . 0 0 "[ . 1 . 2]" 1
256 1 22 PHE QE 1 65 MET ME 4.960 . 4.960 3.813 3.617 3.977 . 0 0 "[ . 1 . 2]" 1
257 1 22 PHE QE 1 65 MET HG3 4.030 . 4.030 1.940 1.880 1.990 . 0 0 "[ . 1 . 2]" 1
258 1 22 PHE QE 1 65 MET HG2 4.030 . 4.030 3.440 3.361 3.516 . 0 0 "[ . 1 . 2]" 1
259 1 22 PHE QE 1 65 MET QG 3.320 . 3.320 1.930 1.871 1.979 . 0 0 "[ . 1 . 2]" 1
260 1 22 PHE QE 1 68 GLU HG3 5.260 . 5.260 4.383 4.205 4.512 . 0 0 "[ . 1 . 2]" 1
261 1 22 PHE QE 1 69 LEU QD 4.810 . 4.810 4.010 3.680 4.166 . 0 0 "[ . 1 . 2]" 1
262 1 22 PHE QE 1 78 LEU HG 5.500 . 5.500 4.079 3.684 4.491 . 0 0 "[ . 1 . 2]" 1
263 1 22 PHE QE 1 78 LEU MD1 3.550 . 3.550 2.482 2.319 2.866 . 0 0 "[ . 1 . 2]" 1
264 1 22 PHE QE 1 79 GLU HA 5.500 . 5.500 5.205 5.047 5.396 . 0 0 "[ . 1 . 2]" 1
265 1 22 PHE QE 1 80 CYS HA 3.340 . 3.340 2.741 2.584 2.886 . 0 0 "[ . 1 . 2]" 1
266 1 22 PHE QE 1 80 CYS HB2 4.650 . 4.650 3.091 2.840 3.362 . 0 0 "[ . 1 . 2]" 1
267 1 22 PHE QE 1 84 VAL MG2 3.610 . 3.610 3.430 3.278 3.604 . 0 0 "[ . 1 . 2]" 1
268 1 22 PHE QE 1 84 VAL MG1 3.040 . 3.040 1.806 1.780 1.849 0.020 9 0 "[ . 1 . 2]" 1
269 1 23 ARG HA 1 23 ARG HD3 5.500 . 5.500 4.319 3.925 4.836 . 0 0 "[ . 1 . 2]" 1
270 1 23 ARG HA 1 23 ARG HD2 5.500 . 5.500 4.584 3.823 5.363 . 0 0 "[ . 1 . 2]" 1
271 1 23 ARG HA 1 23 ARG QD 4.720 . 4.720 3.858 3.625 4.113 . 0 0 "[ . 1 . 2]" 1
272 1 23 ARG HA 1 23 ARG HG3 4.010 . 4.010 3.631 3.550 3.673 . 0 0 "[ . 1 . 2]" 1
273 1 23 ARG HA 1 24 LYS HA 4.810 . 4.810 4.678 4.602 4.748 . 0 0 "[ . 1 . 2]" 1
274 1 23 ARG HA 1 26 MET H 3.820 . 3.820 3.537 3.402 3.747 . 0 0 "[ . 1 . 2]" 1
275 1 23 ARG HA 1 26 MET HB3 4.330 . 4.330 2.620 2.424 2.852 . 0 0 "[ . 1 . 2]" 1
276 1 23 ARG HA 1 26 MET HB2 4.170 . 4.170 3.778 3.543 3.899 . 0 0 "[ . 1 . 2]" 1
277 1 23 ARG HA 1 27 SER H 4.450 . 4.450 3.620 3.366 3.822 . 0 0 "[ . 1 . 2]" 1
278 1 23 ARG HA 1 61 THR MG 4.240 . 4.240 2.527 2.216 2.710 . 0 0 "[ . 1 . 2]" 1
279 1 23 ARG H 1 23 ARG HA 2.930 . 2.930 2.811 2.800 2.821 . 0 0 "[ . 1 . 2]" 1
280 1 23 ARG H 1 23 ARG QB 2.450 . 2.450 2.488 2.441 2.531 0.081 17 0 "[ . 1 . 2]" 1
281 1 23 ARG H 1 23 ARG HG3 4.400 . 4.400 2.617 2.428 3.037 . 0 0 "[ . 1 . 2]" 1
282 1 23 ARG H 1 23 ARG HG2 3.490 . 3.490 3.398 2.860 3.548 0.058 3 0 "[ . 1 . 2]" 1
283 1 23 ARG H 1 24 LYS H 3.200 . 3.200 2.761 2.681 2.852 . 0 0 "[ . 1 . 2]" 1
284 1 23 ARG H 1 25 GLU H 4.610 . 4.610 4.450 4.325 4.581 . 0 0 "[ . 1 . 2]" 1
285 1 23 ARG H 1 26 MET H 5.310 . 5.310 4.800 4.712 4.901 . 0 0 "[ . 1 . 2]" 1
286 1 23 ARG H 1 26 MET HB2 5.500 . 5.500 5.481 5.141 5.566 0.066 17 0 "[ . 1 . 2]" 1
287 1 23 ARG H 1 61 THR MG 5.210 . 5.210 4.715 4.402 4.922 . 0 0 "[ . 1 . 2]" 1
288 1 23 ARG H 1 78 LEU MD2 4.720 . 4.720 4.635 4.364 4.778 0.058 19 0 "[ . 1 . 2]" 1
289 1 23 ARG QB 1 23 ARG HD3 3.630 . 3.630 2.458 2.205 3.124 . 0 0 "[ . 1 . 2]" 1
290 1 23 ARG QB 1 23 ARG HD2 3.630 . 3.630 2.957 2.277 3.420 . 0 0 "[ . 1 . 2]" 1
291 1 23 ARG QB 1 61 THR MG 4.640 . 4.640 2.424 2.203 2.690 . 0 0 "[ . 1 . 2]" 1
292 1 23 ARG QD 1 24 LYS HA 3.710 . 3.710 2.960 2.471 3.816 0.106 18 0 "[ . 1 . 2]" 1
293 1 23 ARG QD 1 24 LYS H 4.400 . 4.400 3.251 2.738 4.024 . 0 0 "[ . 1 . 2]" 1
294 1 23 ARG HG3 1 24 LYS HA 4.120 . 4.120 4.033 3.360 4.203 0.083 16 0 "[ . 1 . 2]" 1
295 1 23 ARG HG3 1 24 LYS H 3.750 . 3.750 2.432 2.143 2.601 . 0 0 "[ . 1 . 2]" 1
296 1 24 LYS HA 1 24 LYS QB 2.800 . 2.800 2.385 2.323 2.512 . 0 0 "[ . 1 . 2]" 1
297 1 24 LYS HA 1 24 LYS QD 3.940 . 3.940 3.221 1.948 4.089 0.149 9 0 "[ . 1 . 2]" 1
298 1 24 LYS HA 1 24 LYS QE 5.500 . 5.500 4.238 2.811 5.113 . 0 0 "[ . 1 . 2]" 1
299 1 24 LYS HA 1 24 LYS QG 3.180 . 3.180 2.570 2.191 3.065 . 0 0 "[ . 1 . 2]" 1
300 1 24 LYS HA 1 61 THR MG 4.730 . 4.730 4.593 4.360 4.776 0.046 15 0 "[ . 1 . 2]" 1
301 1 24 LYS H 1 24 LYS QB 2.780 . 2.780 2.275 2.146 2.399 . 0 0 "[ . 1 . 2]" 1
302 1 24 LYS H 1 24 LYS QG 4.760 . 4.760 3.416 2.327 4.075 . 0 0 "[ . 1 . 2]" 1
303 1 24 LYS H 1 25 GLU H 2.720 . 2.720 2.658 2.545 2.737 0.017 6 0 "[ . 1 . 2]" 1
304 1 24 LYS H 1 25 GLU HG2 3.930 . 3.930 3.953 3.840 4.018 0.088 10 0 "[ . 1 . 2]" 1
305 1 24 LYS H 1 26 MET H 3.940 . 3.940 3.961 3.866 4.015 0.075 1 0 "[ . 1 . 2]" 1
306 1 24 LYS H 1 27 SER H 5.120 . 5.120 4.492 4.402 4.621 . 0 0 "[ . 1 . 2]" 1
307 1 24 LYS H 1 61 THR MG 5.240 . 5.240 4.823 4.555 5.059 . 0 0 "[ . 1 . 2]" 1
308 1 24 LYS QB 1 24 LYS QD 3.450 . 3.450 2.294 2.057 2.797 . 0 0 "[ . 1 . 2]" 1
309 1 24 LYS QB 1 25 GLU H 2.980 . 2.980 2.539 2.367 2.640 . 0 0 "[ . 1 . 2]" 1
310 1 24 LYS QE 1 24 LYS QG 3.450 . 3.450 2.363 2.095 2.811 . 0 0 "[ . 1 . 2]" 1
311 1 24 LYS QG 1 25 GLU H 4.550 . 4.550 3.943 3.517 4.396 . 0 0 "[ . 1 . 2]" 1
312 1 25 GLU HA 1 25 GLU QB 2.760 . 2.760 2.214 2.136 2.304 . 0 0 "[ . 1 . 2]" 1
313 1 25 GLU HA 1 25 GLU HG3 3.870 . 3.870 3.836 3.772 3.878 0.008 11 0 "[ . 1 . 2]" 1
314 1 25 GLU HA 1 25 GLU HG2 3.770 . 3.770 3.236 2.741 3.587 . 0 0 "[ . 1 . 2]" 1
315 1 25 GLU HA 1 26 MET H 3.570 . 3.570 3.435 3.370 3.473 . 0 0 "[ . 1 . 2]" 1
316 1 25 GLU HA 1 28 GLN QB 4.190 . 4.190 3.142 2.299 4.211 0.021 17 0 "[ . 1 . 2]" 1
317 1 25 GLU H 1 25 GLU HA 2.890 . 2.890 2.813 2.759 2.853 . 0 0 "[ . 1 . 2]" 1
318 1 25 GLU H 1 25 GLU QB 3.320 . 3.320 2.765 2.525 2.983 . 0 0 "[ . 1 . 2]" 1
319 1 25 GLU H 1 25 GLU HG3 3.070 . 3.070 2.803 2.573 3.108 0.038 1 0 "[ . 1 . 2]" 1
320 1 25 GLU H 1 25 GLU HG2 3.110 . 3.110 1.808 1.777 1.858 0.023 8 0 "[ . 1 . 2]" 1
321 1 25 GLU H 1 26 MET HA 5.280 . 5.280 5.090 4.960 5.134 . 0 0 "[ . 1 . 2]" 1
322 1 25 GLU H 1 26 MET H 2.880 . 2.880 2.483 2.385 2.535 . 0 0 "[ . 1 . 2]" 1
323 1 25 GLU H 1 26 MET HB3 4.900 . 4.900 4.689 4.560 4.959 0.059 18 0 "[ . 1 . 2]" 1
324 1 25 GLU H 1 26 MET HB2 4.990 . 4.990 4.755 4.522 4.861 . 0 0 "[ . 1 . 2]" 1
325 1 25 GLU H 1 27 SER H 4.650 . 4.650 4.015 3.869 4.118 . 0 0 "[ . 1 . 2]" 1
326 1 25 GLU H 1 28 GLN H 5.490 . 5.490 4.690 4.513 4.751 . 0 0 "[ . 1 . 2]" 1
327 1 25 GLU H 1 28 GLN QG 5.340 . 5.340 4.672 4.099 5.273 . 0 0 "[ . 1 . 2]" 1
328 1 25 GLU H 1 80 CYS HB3 4.360 . 4.360 4.464 4.385 4.534 0.174 18 0 "[ . 1 . 2]" 1
329 1 25 GLU QB 1 26 MET H 3.300 . 3.300 2.706 1.821 3.354 0.054 18 0 "[ . 1 . 2]" 1
330 1 25 GLU QB 1 28 GLN H 4.870 . 4.870 4.725 4.533 4.902 0.032 16 0 "[ . 1 . 2]" 1
331 1 25 GLU QB 1 80 CYS HB3 3.720 . 3.720 2.487 1.996 3.000 . 0 0 "[ . 1 . 2]" 1
332 1 25 GLU QB 1 80 CYS HB2 3.570 . 3.570 3.122 2.406 3.688 0.118 13 0 "[ . 1 . 2]" 1
333 1 25 GLU HG3 1 26 MET H 3.470 . 3.470 3.225 2.611 3.716 0.246 8 0 "[ . 1 . 2]" 1
334 1 25 GLU HG2 1 26 MET H 4.460 . 4.460 3.544 3.349 3.698 . 0 0 "[ . 1 . 2]" 1
335 1 25 GLU HG2 1 80 CYS HB2 5.500 . 5.500 4.312 3.975 4.694 . 0 0 "[ . 1 . 2]" 1
336 1 26 MET HA 1 28 GLN H 5.500 . 5.500 4.162 4.050 4.357 . 0 0 "[ . 1 . 2]" 1
337 1 26 MET HA 1 29 PHE H 3.330 . 3.330 3.222 3.006 3.439 0.109 19 0 "[ . 1 . 2]" 1
338 1 26 MET HA 1 29 PHE QB 3.380 . 3.380 2.133 2.052 2.231 . 0 0 "[ . 1 . 2]" 1
339 1 26 MET HA 1 29 PHE QD 5.490 . 5.490 3.679 3.388 3.851 . 0 0 "[ . 1 . 2]" 1
340 1 26 MET HA 1 30 ILE H 4.530 . 4.530 3.540 3.430 3.737 . 0 0 "[ . 1 . 2]" 1
341 1 26 MET HA 1 84 VAL MG1 5.500 . 5.500 4.859 4.678 4.996 . 0 0 "[ . 1 . 2]" 1
342 1 26 MET H 1 26 MET HB3 2.900 . 2.900 2.471 2.386 2.739 . 0 0 "[ . 1 . 2]" 1
343 1 26 MET H 1 26 MET HB2 2.850 . 2.850 2.449 2.349 2.538 . 0 0 "[ . 1 . 2]" 1
344 1 26 MET H 1 27 SER H 2.970 . 2.970 2.590 2.476 2.801 . 0 0 "[ . 1 . 2]" 1
345 1 26 MET H 1 28 GLN H 4.620 . 4.620 3.986 3.861 4.143 . 0 0 "[ . 1 . 2]" 1
346 1 26 MET H 1 29 PHE QB 5.340 . 5.340 4.422 4.262 4.544 . 0 0 "[ . 1 . 2]" 1
347 1 26 MET H 1 30 ILE MD 5.500 . 5.500 5.532 5.487 5.562 0.062 17 0 "[ . 1 . 2]" 1
348 1 26 MET H 1 61 THR MG 4.110 . 4.110 4.095 3.967 4.157 0.047 8 0 "[ . 1 . 2]" 1
349 1 26 MET H 1 80 CYS HB2 4.930 . 4.930 3.225 2.992 3.354 . 0 0 "[ . 1 . 2]" 1
350 1 26 MET HB3 1 27 SER H 3.110 . 3.110 2.622 2.524 2.736 . 0 0 "[ . 1 . 2]" 1
351 1 26 MET HB3 1 28 GLN H 4.870 . 4.870 4.930 4.900 4.964 0.094 6 0 "[ . 1 . 2]" 1
352 1 26 MET HB3 1 61 THR MG 4.520 . 4.520 2.231 2.089 2.449 . 0 0 "[ . 1 . 2]" 1
353 1 26 MET HB2 1 27 SER H 3.910 . 3.910 3.848 3.654 3.925 0.015 4 0 "[ . 1 . 2]" 1
354 1 26 MET HB2 1 28 GLN H 5.500 . 5.500 5.634 5.579 5.695 0.195 10 0 "[ . 1 . 2]" 1
355 1 26 MET HB2 1 84 VAL MG1 3.790 . 3.790 3.831 3.796 3.949 0.159 15 0 "[ . 1 . 2]" 1
356 1 26 MET HG3 1 30 ILE MD 3.770 . 3.770 2.076 1.986 2.329 . 0 0 "[ . 1 . 2]" 1
357 1 26 MET HG2 1 30 ILE MD 3.770 . 3.770 2.985 2.566 3.337 . 0 0 "[ . 1 . 2]" 1
358 1 26 MET QG 1 27 SER H 4.230 . 4.230 3.739 3.578 3.946 . 0 0 "[ . 1 . 2]" 1
359 1 26 MET QG 1 30 ILE H 4.160 . 4.160 3.981 3.614 4.180 0.020 7 0 "[ . 1 . 2]" 1
360 1 26 MET QG 1 30 ILE HG13 5.240 . 5.240 2.773 2.336 3.053 . 0 0 "[ . 1 . 2]" 1
361 1 26 MET QG 1 61 THR HA 5.220 . 5.220 2.457 2.163 3.336 . 0 0 "[ . 1 . 2]" 1
362 1 26 MET QG 1 61 THR MG 4.380 . 4.380 2.349 2.087 2.949 . 0 0 "[ . 1 . 2]" 1
363 1 26 MET QG 1 64 VAL QG 5.130 . 5.130 3.117 2.861 3.494 . 0 0 "[ . 1 . 2]" 1
364 1 26 MET QG 1 84 VAL MG1 5.340 . 5.340 3.524 2.958 4.116 . 0 0 "[ . 1 . 2]" 1
365 1 26 MET HA 1 26 MET ME 4.000 . 4.000 2.709 2.325 3.473 . 0 0 "[ . 1 . 2]" 1
366 1 26 MET HB2 1 26 MET ME 3.770 . 3.770 2.808 2.520 3.819 0.049 18 0 "[ . 1 . 2]" 1
367 1 26 MET ME 1 29 PHE QB 4.470 . 4.470 2.974 2.698 3.268 . 0 0 "[ . 1 . 2]" 1
368 1 26 MET ME 1 29 PHE QD 3.170 . 3.170 2.376 1.986 2.625 . 0 0 "[ . 1 . 2]" 1
369 1 26 MET ME 1 29 PHE QE 3.680 . 3.680 3.037 2.882 3.123 . 0 0 "[ . 1 . 2]" 1
370 1 26 MET ME 1 29 PHE HZ 4.240 . 4.240 4.376 4.335 4.438 0.198 13 0 "[ . 1 . 2]" 1
371 1 26 MET ME 1 30 ILE HA 5.270 . 5.270 5.122 4.750 5.333 0.063 9 0 "[ . 1 . 2]" 1
372 1 26 MET ME 1 30 ILE MD 4.070 . 4.070 3.581 2.946 3.837 . 0 0 "[ . 1 . 2]" 1
373 1 26 MET ME 1 30 ILE QG 3.550 . 3.550 3.293 2.780 3.568 0.018 11 0 "[ . 1 . 2]" 1
374 1 26 MET ME 1 30 ILE H 5.060 . 5.060 4.387 3.935 4.621 . 0 0 "[ . 1 . 2]" 1
375 1 26 MET ME 1 64 VAL MG1 3.150 . 3.150 2.891 2.470 3.221 0.071 19 0 "[ . 1 . 2]" 1
376 1 26 MET ME 1 80 CYS HA 4.600 . 4.600 3.383 3.067 3.873 . 0 0 "[ . 1 . 2]" 1
377 1 26 MET ME 1 84 VAL MG2 4.110 . 4.110 4.193 4.112 4.262 0.152 13 0 "[ . 1 . 2]" 1
378 1 26 MET ME 1 84 VAL MG1 3.330 . 3.330 1.849 1.786 1.939 0.014 18 0 "[ . 1 . 2]" 1
379 1 26 MET ME 1 84 VAL H 5.360 . 5.360 5.202 5.001 5.334 . 0 0 "[ . 1 . 2]" 1
380 1 26 MET ME 1 85 LYS HA 4.510 . 4.510 2.110 1.895 2.486 . 0 0 "[ . 1 . 2]" 1
381 1 26 MET ME 1 85 LYS QG 4.630 . 4.630 2.724 2.098 3.056 . 0 0 "[ . 1 . 2]" 1
382 1 26 MET ME 1 85 LYS H 4.590 . 4.590 3.598 3.280 3.768 . 0 0 "[ . 1 . 2]" 1
383 1 26 MET ME 1 86 HIS H 5.500 . 5.500 4.883 4.586 5.187 . 0 0 "[ . 1 . 2]" 1
384 1 26 MET ME 1 88 THR HA 5.500 . 5.500 4.349 4.107 4.451 . 0 0 "[ . 1 . 2]" 1
385 1 26 MET ME 1 88 THR HB 3.930 . 3.930 2.506 2.405 2.594 . 0 0 "[ . 1 . 2]" 1
386 1 26 MET ME 1 88 THR MG 3.430 . 3.430 2.158 1.834 2.344 . 0 0 "[ . 1 . 2]" 1
387 1 26 MET ME 1 88 THR H 3.900 . 3.900 3.931 3.726 3.992 0.092 10 0 "[ . 1 . 2]" 1
388 1 26 MET ME 1 89 LYS HA 5.500 . 5.500 5.592 5.496 5.641 0.141 6 0 "[ . 1 . 2]" 1
389 1 26 MET ME 1 89 LYS H 4.230 . 4.230 4.283 4.220 4.334 0.104 13 0 "[ . 1 . 2]" 1
390 1 26 MET ME 1 26 MET HG2 3.730 . 3.730 2.813 2.462 3.514 . 0 0 "[ . 1 . 2]" 1
391 1 27 SER HA 1 30 ILE HB 3.720 . 3.720 2.635 2.469 2.778 . 0 0 "[ . 1 . 2]" 1
392 1 27 SER HA 1 30 ILE H 3.620 . 3.620 3.540 3.346 3.656 0.036 20 0 "[ . 1 . 2]" 1
393 1 27 SER HA 1 30 ILE MD 4.380 . 4.380 3.044 2.871 3.200 . 0 0 "[ . 1 . 2]" 1
394 1 27 SER HA 1 30 ILE MG 4.890 . 4.890 3.965 3.833 4.088 . 0 0 "[ . 1 . 2]" 1
395 1 27 SER HA 1 31 VAL H 4.050 . 4.050 3.667 3.532 3.779 . 0 0 "[ . 1 . 2]" 1
396 1 27 SER HA 1 31 VAL QG 4.320 . 4.320 3.672 3.549 3.775 . 0 0 "[ . 1 . 2]" 1
397 1 27 SER HA 1 61 THR MG 4.690 . 4.690 3.117 2.863 3.508 . 0 0 "[ . 1 . 2]" 1
398 1 27 SER H 1 27 SER HA 2.780 . 2.780 2.809 2.798 2.829 0.049 4 0 "[ . 1 . 2]" 1
399 1 27 SER H 1 27 SER QB 2.780 . 2.780 2.607 2.489 2.795 0.015 17 0 "[ . 1 . 2]" 1
400 1 27 SER H 1 28 GLN H 2.980 . 2.980 2.606 2.526 2.669 . 0 0 "[ . 1 . 2]" 1
401 1 27 SER H 1 28 GLN QG 4.890 . 4.890 4.303 3.931 4.946 0.056 4 0 "[ . 1 . 2]" 1
402 1 27 SER H 1 29 PHE H 4.470 . 4.470 4.094 3.973 4.236 . 0 0 "[ . 1 . 2]" 1
403 1 27 SER H 1 29 PHE QB 5.250 . 5.250 4.628 4.477 4.737 . 0 0 "[ . 1 . 2]" 1
404 1 27 SER H 1 30 ILE H 4.920 . 4.920 4.572 4.516 4.611 . 0 0 "[ . 1 . 2]" 1
405 1 27 SER H 1 30 ILE MD 4.450 . 4.450 4.367 4.279 4.455 0.005 4 0 "[ . 1 . 2]" 1
406 1 27 SER H 1 31 VAL H 5.500 . 5.500 5.660 5.634 5.696 0.196 10 0 "[ . 1 . 2]" 1
407 1 27 SER H 1 61 THR MG 3.410 . 3.410 2.902 2.685 3.030 . 0 0 "[ . 1 . 2]" 1
408 1 27 SER QB 1 28 GLN H 3.120 . 3.120 2.822 2.525 3.316 0.196 15 0 "[ . 1 . 2]" 1
409 1 27 SER QB 1 30 ILE MG 5.500 . 5.500 5.081 4.733 5.310 . 0 0 "[ . 1 . 2]" 1
410 1 27 SER QB 1 31 VAL QG 3.870 . 3.870 3.188 2.957 3.259 . 0 0 "[ . 1 . 2]" 1
411 1 27 SER QB 1 61 THR MG 4.100 . 4.100 3.170 2.019 3.649 . 0 0 "[ . 1 . 2]" 1
412 1 28 GLN HA 1 28 GLN HG3 3.810 . 3.810 3.515 2.954 3.840 0.030 2 0 "[ . 1 . 2]" 1
413 1 28 GLN HA 1 28 GLN HG2 3.810 . 3.810 3.209 2.504 4.027 0.217 4 0 "[ . 1 . 2]" 1
414 1 28 GLN HA 1 28 GLN QG 3.260 . 3.260 2.937 2.386 3.335 0.075 17 0 "[ . 1 . 2]" 1
415 1 28 GLN HA 1 29 PHE HA 5.080 . 5.080 4.786 4.699 4.836 . 0 0 "[ . 1 . 2]" 1
416 1 28 GLN HA 1 31 VAL HB 3.930 . 3.930 2.273 2.190 2.392 . 0 0 "[ . 1 . 2]" 1
417 1 28 GLN HA 1 31 VAL H 4.070 . 4.070 3.399 3.302 3.574 . 0 0 "[ . 1 . 2]" 1
418 1 28 GLN HA 1 31 VAL QG 3.560 . 3.560 2.878 2.708 3.058 . 0 0 "[ . 1 . 2]" 1
419 1 28 GLN H 1 28 GLN QB 2.630 . 2.630 2.417 1.829 2.734 0.104 17 0 "[ . 1 . 2]" 1
420 1 28 GLN H 1 28 GLN HG3 3.590 . 3.590 3.151 2.318 3.714 0.124 15 0 "[ . 1 . 2]" 1
421 1 28 GLN H 1 28 GLN HG2 3.590 . 3.590 2.747 1.994 3.673 0.083 4 0 "[ . 1 . 2]" 1
422 1 28 GLN H 1 28 GLN QG 2.980 . 2.980 2.327 1.973 3.053 0.073 4 0 "[ . 1 . 2]" 1
423 1 28 GLN H 1 29 PHE HA 5.400 . 5.400 5.172 5.014 5.318 . 0 0 "[ . 1 . 2]" 1
424 1 28 GLN H 1 29 PHE H 2.890 . 2.890 2.529 2.302 2.715 . 0 0 "[ . 1 . 2]" 1
425 1 28 GLN H 1 29 PHE QB 4.590 . 4.590 4.188 3.974 4.379 . 0 0 "[ . 1 . 2]" 1
426 1 28 GLN H 1 30 ILE H 4.270 . 4.270 4.103 3.996 4.172 . 0 0 "[ . 1 . 2]" 1
427 1 28 GLN H 1 30 ILE MD 5.500 . 5.500 5.543 5.476 5.587 0.087 8 0 "[ . 1 . 2]" 1
428 1 28 GLN H 1 31 VAL H 4.820 . 4.820 4.524 4.457 4.603 . 0 0 "[ . 1 . 2]" 1
429 1 28 GLN H 1 31 VAL QG 4.510 . 4.510 4.377 4.248 4.468 . 0 0 "[ . 1 . 2]" 1
430 1 28 GLN QB 1 29 PHE H 2.830 . 2.830 2.763 2.345 3.174 0.344 20 0 "[ . 1 . 2]" 1
431 1 28 GLN QG 1 29 PHE H 4.560 . 4.560 3.106 1.875 4.134 . 0 0 "[ . 1 . 2]" 1
432 1 29 PHE HA 1 29 PHE QD 3.170 . 3.170 2.867 2.789 2.916 . 0 0 "[ . 1 . 2]" 1
433 1 29 PHE HA 1 29 PHE QE 4.860 . 4.860 4.723 4.685 4.765 . 0 0 "[ . 1 . 2]" 1
434 1 29 PHE HA 1 31 VAL H 5.460 . 5.460 4.693 4.612 4.785 . 0 0 "[ . 1 . 2]" 1
435 1 29 PHE HA 1 32 GLN HB3 3.820 . 3.820 2.786 2.598 2.988 . 0 0 "[ . 1 . 2]" 1
436 1 29 PHE HA 1 32 GLN HB2 3.890 . 3.890 3.281 3.081 3.544 . 0 0 "[ . 1 . 2]" 1
437 1 29 PHE HA 1 32 GLN HG3 5.240 . 5.240 4.896 4.133 5.142 . 0 0 "[ . 1 . 2]" 1
438 1 29 PHE HA 1 32 GLN HG2 5.240 . 5.240 4.626 3.979 5.270 0.030 7 0 "[ . 1 . 2]" 1
439 1 29 PHE HA 1 32 GLN QG 4.540 . 4.540 4.163 3.797 4.493 . 0 0 "[ . 1 . 2]" 1
440 1 29 PHE H 1 29 PHE QB 2.460 . 2.460 2.245 2.150 2.347 . 0 0 "[ . 1 . 2]" 1
441 1 29 PHE H 1 29 PHE QD 4.340 . 4.340 4.179 4.097 4.277 . 0 0 "[ . 1 . 2]" 1
442 1 29 PHE H 1 30 ILE H 2.960 . 2.960 2.828 2.740 2.963 0.003 5 0 "[ . 1 . 2]" 1
443 1 29 PHE H 1 31 VAL H 4.720 . 4.720 4.188 4.083 4.254 . 0 0 "[ . 1 . 2]" 1
444 1 29 PHE HZ 1 85 LYS HA 4.030 . 4.030 3.389 3.080 3.632 . 0 0 "[ . 1 . 2]" 1
445 1 29 PHE HZ 1 85 LYS HB3 4.090 . 4.090 2.344 2.264 2.462 . 0 0 "[ . 1 . 2]" 1
446 1 29 PHE HZ 1 85 LYS HB2 5.170 . 5.170 3.995 3.900 4.071 . 0 0 "[ . 1 . 2]" 1
447 1 29 PHE HZ 1 85 LYS HG3 5.120 . 5.120 5.063 4.913 5.158 0.038 17 0 "[ . 1 . 2]" 1
448 1 29 PHE HZ 1 85 LYS HG2 5.120 . 5.120 3.867 3.712 3.991 . 0 0 "[ . 1 . 2]" 1
449 1 29 PHE HZ 1 85 LYS QG 4.250 . 4.250 3.752 3.608 3.862 . 0 0 "[ . 1 . 2]" 1
450 1 29 PHE HZ 1 86 HIS HA 5.380 . 5.380 4.415 4.146 4.766 . 0 0 "[ . 1 . 2]" 1
451 1 29 PHE HZ 1 88 THR HB 4.550 . 4.550 4.093 3.795 4.317 . 0 0 "[ . 1 . 2]" 1
452 1 29 PHE HZ 1 88 THR MG 5.400 . 5.400 4.171 3.999 4.343 . 0 0 "[ . 1 . 2]" 1
453 1 29 PHE HZ 1 89 LYS HA 5.040 . 5.040 4.719 4.417 4.922 . 0 0 "[ . 1 . 2]" 1
454 1 29 PHE HZ 1 89 LYS H 3.870 . 3.870 3.434 3.058 3.690 . 0 0 "[ . 1 . 2]" 1
455 1 29 PHE HZ 1 89 LYS HB3 3.330 . 3.330 2.952 2.717 3.202 . 0 0 "[ . 1 . 2]" 1
456 1 29 PHE HZ 1 89 LYS HB2 4.690 . 4.690 4.092 3.902 4.299 . 0 0 "[ . 1 . 2]" 1
457 1 29 PHE HZ 1 89 LYS QD 3.880 . 3.880 3.671 3.472 3.889 0.009 7 0 "[ . 1 . 2]" 1
458 1 29 PHE HZ 1 89 LYS QE 4.420 . 4.420 4.097 3.484 4.545 0.125 14 0 "[ . 1 . 2]" 1
459 1 29 PHE HZ 1 89 LYS HG3 5.500 . 5.500 2.221 1.968 2.477 . 0 0 "[ . 1 . 2]" 1
460 1 29 PHE HZ 1 89 LYS HG2 4.170 . 4.170 2.165 1.998 2.316 . 0 0 "[ . 1 . 2]" 1
461 1 29 PHE QB 1 30 ILE H 2.870 . 2.870 2.390 2.294 2.506 . 0 0 "[ . 1 . 2]" 1
462 1 29 PHE QB 1 30 ILE HG13 4.620 . 4.620 3.260 3.076 3.481 . 0 0 "[ . 1 . 2]" 1
463 1 29 PHE QB 1 85 LYS QD 5.150 . 5.150 4.497 3.073 4.799 . 0 0 "[ . 1 . 2]" 1
464 1 29 PHE QB 1 85 LYS HE3 5.500 . 5.500 5.502 5.302 5.566 0.066 20 0 "[ . 1 . 2]" 1
465 1 29 PHE QB 1 85 LYS HE2 5.500 . 5.500 4.150 3.772 5.550 0.050 17 0 "[ . 1 . 2]" 1
466 1 29 PHE QD 1 30 ILE H 3.790 . 3.790 3.132 2.999 3.209 . 0 0 "[ . 1 . 2]" 1
467 1 29 PHE QD 1 30 ILE MD 4.430 . 4.430 3.971 3.723 4.173 . 0 0 "[ . 1 . 2]" 1
468 1 29 PHE QD 1 30 ILE HG12 3.970 . 3.970 3.418 3.119 3.588 . 0 0 "[ . 1 . 2]" 1
469 1 29 PHE QD 1 31 VAL H 5.500 . 5.500 5.486 5.359 5.529 0.029 7 0 "[ . 1 . 2]" 1
470 1 29 PHE QD 1 85 LYS QD 4.620 . 4.620 3.364 2.576 3.598 . 0 0 "[ . 1 . 2]" 1
471 1 29 PHE QD 1 85 LYS QE 4.320 . 4.320 3.843 3.653 4.423 0.103 17 0 "[ . 1 . 2]" 1
472 1 29 PHE QD 1 85 LYS QG 4.270 . 4.270 3.334 3.085 3.474 . 0 0 "[ . 1 . 2]" 1
473 1 29 PHE QD 1 88 THR HB 3.680 . 3.680 3.697 3.651 3.740 0.060 17 0 "[ . 1 . 2]" 1
474 1 29 PHE QD 1 88 THR MG 3.370 . 3.370 2.192 2.092 2.348 . 0 0 "[ . 1 . 2]" 1
475 1 29 PHE QD 1 89 LYS HA 5.320 . 5.320 5.033 4.902 5.343 0.023 18 0 "[ . 1 . 2]" 1
476 1 29 PHE QD 1 89 LYS HG2 5.500 . 5.500 5.313 5.099 5.422 . 0 0 "[ . 1 . 2]" 1
477 1 29 PHE QE 1 85 LYS HA 3.520 . 3.520 2.897 2.704 3.067 . 0 0 "[ . 1 . 2]" 1
478 1 29 PHE QE 1 85 LYS H 5.490 . 5.490 5.301 5.213 5.409 . 0 0 "[ . 1 . 2]" 1
479 1 29 PHE QE 1 85 LYS HB3 5.500 . 5.500 2.777 2.563 2.922 . 0 0 "[ . 1 . 2]" 1
480 1 29 PHE QE 1 85 LYS HB2 5.500 . 5.500 4.170 4.069 4.280 . 0 0 "[ . 1 . 2]" 1
481 1 29 PHE QE 1 85 LYS QD 3.380 . 3.380 2.759 2.601 2.895 . 0 0 "[ . 1 . 2]" 1
482 1 29 PHE QE 1 85 LYS HE3 5.500 . 5.500 5.359 4.053 5.523 0.023 5 0 "[ . 1 . 2]" 1
483 1 29 PHE QE 1 85 LYS HE2 5.500 . 5.500 4.570 4.230 5.276 . 0 0 "[ . 1 . 2]" 1
484 1 29 PHE QE 1 85 LYS QG 3.260 . 3.260 3.276 3.211 3.340 0.080 11 0 "[ . 1 . 2]" 1
485 1 29 PHE QE 1 86 HIS H 5.500 . 5.500 5.138 5.036 5.242 . 0 0 "[ . 1 . 2]" 1
486 1 29 PHE QE 1 88 THR HA 5.500 . 5.500 4.738 4.545 4.904 . 0 0 "[ . 1 . 2]" 1
487 1 29 PHE QE 1 88 THR HB 3.050 . 3.050 2.403 2.256 2.580 . 0 0 "[ . 1 . 2]" 1
488 1 29 PHE QE 1 88 THR H 4.400 . 4.400 4.187 4.020 4.305 . 0 0 "[ . 1 . 2]" 1
489 1 29 PHE QE 1 88 THR MG 3.170 . 3.170 2.143 1.996 2.289 . 0 0 "[ . 1 . 2]" 1
490 1 29 PHE QE 1 89 LYS HA 4.230 . 4.230 3.451 3.305 3.724 . 0 0 "[ . 1 . 2]" 1
491 1 29 PHE QE 1 89 LYS HB3 3.260 . 3.260 2.722 2.532 3.039 . 0 0 "[ . 1 . 2]" 1
492 1 29 PHE QE 1 89 LYS HB2 4.730 . 4.730 4.219 4.067 4.472 . 0 0 "[ . 1 . 2]" 1
493 1 29 PHE QE 1 89 LYS QD 4.140 . 4.140 4.170 4.044 4.227 0.087 18 0 "[ . 1 . 2]" 1
494 1 29 PHE QE 1 89 LYS HG3 4.230 . 4.230 2.656 2.472 2.768 . 0 0 "[ . 1 . 2]" 1
495 1 29 PHE QE 1 90 GLU H 5.150 . 5.150 5.009 4.911 5.124 . 0 0 "[ . 1 . 2]" 1
496 1 30 ILE HA 1 30 ILE MD 4.060 . 4.060 3.795 3.755 3.847 . 0 0 "[ . 1 . 2]" 1
497 1 30 ILE HA 1 30 ILE HG13 3.550 . 3.550 2.742 2.695 2.800 . 0 0 "[ . 1 . 2]" 1
498 1 30 ILE HA 1 30 ILE HG12 3.830 . 3.830 2.473 2.422 2.510 . 0 0 "[ . 1 . 2]" 1
499 1 30 ILE HA 1 30 ILE MG 3.690 . 3.690 2.519 2.477 2.554 . 0 0 "[ . 1 . 2]" 1
500 1 30 ILE HA 1 32 GLN H 4.340 . 4.340 4.347 4.304 4.378 0.038 5 0 "[ . 1 . 2]" 1
501 1 30 ILE HA 1 33 CYS H 3.290 . 3.290 3.100 3.030 3.201 . 0 0 "[ . 1 . 2]" 1
502 1 30 ILE HA 1 33 CYS HB3 4.310 . 4.310 3.750 3.680 3.822 . 0 0 "[ . 1 . 2]" 1
503 1 30 ILE HA 1 33 CYS HB2 4.310 . 4.310 2.188 2.124 2.265 . 0 0 "[ . 1 . 2]" 1
504 1 30 ILE HA 1 33 CYS QB 3.600 . 3.600 2.174 2.112 2.249 . 0 0 "[ . 1 . 2]" 1
505 1 30 ILE HA 1 34 LEU H 4.500 . 4.500 3.887 3.826 3.972 . 0 0 "[ . 1 . 2]" 1
506 1 30 ILE HA 1 60 LEU MD1 5.500 . 5.500 4.981 4.809 5.113 . 0 0 "[ . 1 . 2]" 1
507 1 30 ILE HA 1 88 THR MG 3.940 . 3.940 3.588 3.412 3.761 . 0 0 "[ . 1 . 2]" 1
508 1 30 ILE HA 1 92 ILE MD 4.140 . 4.140 3.464 3.341 3.623 . 0 0 "[ . 1 . 2]" 1
509 1 30 ILE HB 1 30 ILE MD 3.560 . 3.560 2.381 2.334 2.423 . 0 0 "[ . 1 . 2]" 1
510 1 30 ILE HB 1 31 VAL H 2.970 . 2.970 2.634 2.577 2.708 . 0 0 "[ . 1 . 2]" 1
511 1 30 ILE HB 1 57 ALA MB 5.500 . 5.500 3.486 3.135 3.712 . 0 0 "[ . 1 . 2]" 1
512 1 30 ILE HB 1 61 THR HA 5.500 . 5.500 4.568 4.334 4.863 . 0 0 "[ . 1 . 2]" 1
513 1 30 ILE H 1 30 ILE HB 2.580 . 2.580 2.413 2.361 2.461 . 0 0 "[ . 1 . 2]" 1
514 1 30 ILE H 1 30 ILE HG13 3.110 . 3.110 2.313 2.234 2.355 . 0 0 "[ . 1 . 2]" 1
515 1 30 ILE H 1 30 ILE MG 3.900 . 3.900 3.745 3.725 3.767 . 0 0 "[ . 1 . 2]" 1
516 1 30 ILE H 1 31 VAL HA 5.280 . 5.280 5.288 5.271 5.305 0.025 1 0 "[ . 1 . 2]" 1
517 1 30 ILE H 1 31 VAL H 3.100 . 3.100 2.753 2.727 2.777 . 0 0 "[ . 1 . 2]" 1
518 1 30 ILE H 1 32 GLN H 4.380 . 4.380 4.158 4.114 4.213 . 0 0 "[ . 1 . 2]" 1
519 1 30 ILE H 1 33 CYS QB 5.290 . 5.290 4.671 4.621 4.727 . 0 0 "[ . 1 . 2]" 1
520 1 30 ILE MD 1 60 LEU HA 4.800 . 4.800 3.994 3.920 4.191 . 0 0 "[ . 1 . 2]" 1
521 1 30 ILE MD 1 60 LEU H 4.570 . 4.570 4.103 3.918 4.430 . 0 0 "[ . 1 . 2]" 1
522 1 30 ILE MD 1 60 LEU HB3 3.780 . 3.780 2.612 2.476 2.841 . 0 0 "[ . 1 . 2]" 1
523 1 30 ILE MD 1 60 LEU HB2 3.680 . 3.680 2.307 2.088 2.643 . 0 0 "[ . 1 . 2]" 1
524 1 30 ILE MD 1 60 LEU MD1 4.530 . 4.530 3.652 3.472 3.918 . 0 0 "[ . 1 . 2]" 1
525 1 30 ILE MD 1 60 LEU MD2 4.920 . 4.920 4.174 4.056 4.384 . 0 0 "[ . 1 . 2]" 1
526 1 30 ILE MD 1 61 THR HA 3.360 . 3.360 1.940 1.859 2.031 . 0 0 "[ . 1 . 2]" 1
527 1 30 ILE MD 1 61 THR HB 4.580 . 4.580 3.627 3.568 3.727 . 0 0 "[ . 1 . 2]" 1
528 1 30 ILE MD 1 61 THR H 3.000 . 3.000 2.549 2.429 2.739 . 0 0 "[ . 1 . 2]" 1
529 1 30 ILE MD 1 61 THR MG 4.060 . 4.060 2.911 2.674 3.024 . 0 0 "[ . 1 . 2]" 1
530 1 30 ILE MD 1 62 HIS HA 5.500 . 5.500 5.662 5.589 5.739 0.239 1 0 "[ . 1 . 2]" 1
531 1 30 ILE MD 1 62 HIS H 4.280 . 4.280 4.221 4.172 4.294 0.014 15 0 "[ . 1 . 2]" 1
532 1 30 ILE MD 1 63 GLY H 4.850 . 4.850 4.838 4.705 4.879 0.029 9 0 "[ . 1 . 2]" 1
533 1 30 ILE MD 1 64 VAL HB 4.220 . 4.220 3.502 3.338 3.603 . 0 0 "[ . 1 . 2]" 1
534 1 30 ILE MD 1 64 VAL H 4.260 . 4.260 4.184 4.086 4.269 0.009 9 0 "[ . 1 . 2]" 1
535 1 30 ILE MD 1 64 VAL QG 3.760 . 3.760 2.744 2.534 2.933 . 0 0 "[ . 1 . 2]" 1
536 1 30 ILE MD 1 88 THR MG 3.870 . 3.870 2.495 2.329 2.730 . 0 0 "[ . 1 . 2]" 1
537 1 30 ILE HG13 1 88 THR MG 4.740 . 4.740 2.500 2.427 2.584 . 0 0 "[ . 1 . 2]" 1
538 1 30 ILE HG12 1 61 THR HA 5.500 . 5.500 4.603 4.486 4.680 . 0 0 "[ . 1 . 2]" 1
539 1 30 ILE HG12 1 88 THR MG 3.710 . 3.710 2.321 2.071 2.441 . 0 0 "[ . 1 . 2]" 1
540 1 30 ILE MD 1 30 ILE MG 2.500 . 2.500 2.082 2.030 2.200 . 0 0 "[ . 1 . 2]" 1
541 1 30 ILE MG 1 31 VAL HA 4.980 . 4.980 3.295 3.199 3.368 . 0 0 "[ . 1 . 2]" 1
542 1 30 ILE MG 1 31 VAL H 3.360 . 3.360 3.135 3.077 3.174 . 0 0 "[ . 1 . 2]" 1
543 1 30 ILE MG 1 32 GLN H 4.960 . 4.960 4.925 4.886 4.972 0.012 14 0 "[ . 1 . 2]" 1
544 1 30 ILE MG 1 34 LEU HG 3.880 . 3.880 2.342 2.248 2.482 . 0 0 "[ . 1 . 2]" 1
545 1 30 ILE MG 1 34 LEU QD 3.180 . 3.180 2.284 2.171 2.528 . 0 0 "[ . 1 . 2]" 1
546 1 30 ILE MG 1 34 LEU MD1 3.930 . 3.930 2.348 2.232 2.603 . 0 0 "[ . 1 . 2]" 1
547 1 30 ILE MG 1 34 LEU MD2 3.930 . 3.930 3.129 2.974 3.428 . 0 0 "[ . 1 . 2]" 1
548 1 30 ILE MG 1 35 ASN H 5.500 . 5.500 5.598 5.574 5.649 0.149 18 0 "[ . 1 . 2]" 1
549 1 30 ILE MG 1 57 ALA HA 3.550 . 3.550 2.119 1.937 2.428 . 0 0 "[ . 1 . 2]" 1
550 1 30 ILE MG 1 57 ALA MB 3.540 . 3.540 2.624 2.492 2.799 . 0 0 "[ . 1 . 2]" 1
551 1 30 ILE MG 1 60 LEU HA 5.500 . 5.500 4.702 4.584 4.810 . 0 0 "[ . 1 . 2]" 1
552 1 30 ILE MG 1 60 LEU HG 4.810 . 4.810 4.003 3.885 4.093 . 0 0 "[ . 1 . 2]" 1
553 1 30 ILE MG 1 60 LEU HB3 4.040 . 4.040 3.048 2.928 3.154 . 0 0 "[ . 1 . 2]" 1
554 1 30 ILE MG 1 60 LEU HB2 3.710 . 3.710 2.091 2.012 2.185 . 0 0 "[ . 1 . 2]" 1
555 1 30 ILE MG 1 60 LEU MD1 3.730 . 3.730 2.416 2.268 2.516 . 0 0 "[ . 1 . 2]" 1
556 1 31 VAL HA 1 31 VAL QG 2.870 . 2.870 2.130 2.117 2.142 . 0 0 "[ . 1 . 2]" 1
557 1 31 VAL HA 1 31 VAL MG1 3.330 . 3.330 2.644 2.595 2.683 . 0 0 "[ . 1 . 2]" 1
558 1 31 VAL HA 1 31 VAL MG2 3.330 . 3.330 2.246 2.223 2.272 . 0 0 "[ . 1 . 2]" 1
559 1 31 VAL HA 1 34 LEU HG 5.500 . 5.500 3.743 3.590 3.987 . 0 0 "[ . 1 . 2]" 1
560 1 31 VAL HA 1 34 LEU H 3.650 . 3.650 3.407 3.343 3.467 . 0 0 "[ . 1 . 2]" 1
561 1 31 VAL HA 1 34 LEU HB3 4.930 . 4.930 4.443 4.365 4.515 . 0 0 "[ . 1 . 2]" 1
562 1 31 VAL HA 1 34 LEU HB2 4.100 . 4.100 2.766 2.696 2.829 . 0 0 "[ . 1 . 2]" 1
563 1 31 VAL HA 1 34 LEU QD 4.520 . 4.520 3.047 2.772 3.293 . 0 0 "[ . 1 . 2]" 1
564 1 31 VAL HA 1 53 PHE HZ 4.460 . 4.460 2.720 2.571 2.877 . 0 0 "[ . 1 . 2]" 1
565 1 31 VAL HA 1 53 PHE QD 5.500 . 5.500 4.920 4.818 5.020 . 0 0 "[ . 1 . 2]" 1
566 1 31 VAL HA 1 53 PHE QE 4.210 . 4.210 3.431 3.287 3.495 . 0 0 "[ . 1 . 2]" 1
567 1 31 VAL HA 1 57 ALA MB 5.100 . 5.100 2.946 2.785 3.080 . 0 0 "[ . 1 . 2]" 1
568 1 31 VAL HB 1 32 GLN H 2.600 . 2.600 2.652 2.623 2.681 0.081 17 0 "[ . 1 . 2]" 1
569 1 31 VAL HB 1 57 ALA MB 5.500 . 5.500 4.321 4.166 4.436 . 0 0 "[ . 1 . 2]" 1
570 1 31 VAL H 1 31 VAL HB 2.560 . 2.560 2.370 2.308 2.415 . 0 0 "[ . 1 . 2]" 1
571 1 31 VAL H 1 31 VAL MG2 2.690 . 2.690 2.307 2.218 2.366 . 0 0 "[ . 1 . 2]" 1
572 1 31 VAL H 1 32 GLN H 2.970 . 2.970 2.928 2.878 2.988 0.018 20 0 "[ . 1 . 2]" 1
573 1 31 VAL H 1 32 GLN QB 5.300 . 5.300 4.476 4.379 4.592 . 0 0 "[ . 1 . 2]" 1
574 1 31 VAL H 1 33 CYS H 5.070 . 5.070 4.183 4.135 4.251 . 0 0 "[ . 1 . 2]" 1
575 1 31 VAL H 1 34 LEU H 5.040 . 5.040 4.640 4.586 4.679 . 0 0 "[ . 1 . 2]" 1
576 1 31 VAL H 1 34 LEU HB2 5.360 . 5.360 5.102 5.009 5.177 . 0 0 "[ . 1 . 2]" 1
577 1 31 VAL H 1 34 LEU QD 5.440 . 5.440 4.460 4.258 4.651 . 0 0 "[ . 1 . 2]" 1
578 1 31 VAL H 1 53 PHE QE 5.500 . 5.500 5.472 5.296 5.554 0.054 10 0 "[ . 1 . 2]" 1
579 1 31 VAL QG 1 32 GLN HA 4.670 . 4.670 3.098 2.964 3.191 . 0 0 "[ . 1 . 2]" 1
580 1 31 VAL QG 1 32 GLN H 3.490 . 3.490 2.947 2.899 3.017 . 0 0 "[ . 1 . 2]" 1
581 1 31 VAL QG 1 32 GLN QG 5.260 . 5.260 4.867 4.520 5.175 . 0 0 "[ . 1 . 2]" 1
582 1 31 VAL QG 1 34 LEU H 4.840 . 4.840 4.328 4.268 4.363 . 0 0 "[ . 1 . 2]" 1
583 1 31 VAL QG 1 35 ASN H 4.740 . 4.740 4.008 3.925 4.084 . 0 0 "[ . 1 . 2]" 1
584 1 31 VAL QG 1 35 ASN HD21 3.700 . 3.700 2.772 2.561 3.096 . 0 0 "[ . 1 . 2]" 1
585 1 31 VAL QG 1 35 ASN HD22 4.180 . 4.180 2.449 2.260 2.523 . 0 0 "[ . 1 . 2]" 1
586 1 31 VAL QG 1 53 PHE QE 3.200 . 3.200 2.003 1.840 2.168 . 0 0 "[ . 1 . 2]" 1
587 1 31 VAL QG 1 57 ALA HA 4.130 . 4.130 4.206 4.180 4.247 0.117 8 0 "[ . 1 . 2]" 1
588 1 31 VAL QG 1 57 ALA MB 3.380 . 3.380 2.150 2.092 2.220 . 0 0 "[ . 1 . 2]" 1
589 1 31 VAL MG1 1 32 GLN H 4.800 . 4.800 3.033 2.975 3.117 . 0 0 "[ . 1 . 2]" 1
590 1 31 VAL MG1 1 53 PHE HZ 3.930 . 3.930 1.887 1.826 1.936 . 0 0 "[ . 1 . 2]" 1
591 1 31 VAL MG1 1 53 PHE QE 3.740 . 3.740 2.141 1.975 2.399 . 0 0 "[ . 1 . 2]" 1
592 1 31 VAL MG2 1 32 GLN H 4.800 . 4.800 4.012 3.988 4.030 . 0 0 "[ . 1 . 2]" 1
593 1 31 VAL MG2 1 53 PHE HZ 3.930 . 3.930 3.230 3.053 3.446 . 0 0 "[ . 1 . 2]" 1
594 1 31 VAL MG2 1 53 PHE QE 3.740 . 3.740 2.428 2.195 2.753 . 0 0 "[ . 1 . 2]" 1
595 1 32 GLN HA 1 32 GLN HG3 3.780 . 3.780 3.042 2.625 3.781 0.001 5 0 "[ . 1 . 2]" 1
596 1 32 GLN HA 1 32 GLN HG2 3.780 . 3.780 3.328 2.472 3.834 0.054 4 0 "[ . 1 . 2]" 1
597 1 32 GLN HA 1 35 ASN HB3 4.690 . 4.690 4.406 4.212 4.537 . 0 0 "[ . 1 . 2]" 1
598 1 32 GLN HA 1 35 ASN HB2 4.120 . 4.120 2.884 2.778 2.979 . 0 0 "[ . 1 . 2]" 1
599 1 32 GLN HA 1 35 ASN HD21 4.240 . 4.240 2.847 2.523 3.562 . 0 0 "[ . 1 . 2]" 1
600 1 32 GLN HA 1 35 ASN HD22 3.720 . 3.720 3.581 3.039 3.756 0.036 16 0 "[ . 1 . 2]" 1
601 1 32 GLN H 1 32 GLN HA 2.880 . 2.880 2.696 2.681 2.727 . 0 0 "[ . 1 . 2]" 1
602 1 32 GLN H 1 32 GLN QB 2.770 . 2.770 2.117 2.051 2.152 . 0 0 "[ . 1 . 2]" 1
603 1 32 GLN H 1 32 GLN QG 3.800 . 3.800 3.881 3.837 3.922 0.122 20 0 "[ . 1 . 2]" 1
604 1 32 GLN H 1 33 CYS H 2.700 . 2.700 2.672 2.635 2.703 0.003 8 0 "[ . 1 . 2]" 1
605 1 32 GLN H 1 33 CYS QB 4.470 . 4.470 4.529 4.505 4.547 0.077 6 0 "[ . 1 . 2]" 1
606 1 32 GLN H 1 34 LEU H 4.100 . 4.100 4.112 4.082 4.128 0.028 10 0 "[ . 1 . 2]" 1
607 1 32 GLN H 1 35 ASN HB2 5.320 . 5.320 5.162 5.038 5.255 . 0 0 "[ . 1 . 2]" 1
608 1 32 GLN HB3 1 33 CYS HA 5.500 . 5.500 4.172 4.075 4.264 . 0 0 "[ . 1 . 2]" 1
609 1 32 GLN HB2 1 33 CYS HA 5.500 . 5.500 5.568 5.542 5.599 0.099 12 0 "[ . 1 . 2]" 1
610 1 32 GLN QB 1 34 LEU H 5.340 . 5.340 4.599 4.549 4.657 . 0 0 "[ . 1 . 2]" 1
611 1 32 GLN QG 1 33 CYS H 5.070 . 5.070 3.635 3.408 4.325 . 0 0 "[ . 1 . 2]" 1
612 1 33 CYS HA 1 36 PRO QG 5.000 . 5.000 3.865 3.752 3.976 . 0 0 "[ . 1 . 2]" 1
613 1 33 CYS HA 1 37 TYR QD 5.500 . 5.500 4.938 4.857 5.023 . 0 0 "[ . 1 . 2]" 1
614 1 33 CYS HA 1 37 TYR QE 4.210 . 4.210 4.252 4.195 4.290 0.080 5 0 "[ . 1 . 2]" 1
615 1 33 CYS H 1 33 CYS HB3 3.540 . 3.540 3.540 3.524 3.550 0.010 12 0 "[ . 1 . 2]" 1
616 1 33 CYS H 1 33 CYS HB2 3.540 . 3.540 2.329 2.303 2.365 . 0 0 "[ . 1 . 2]" 1
617 1 33 CYS H 1 33 CYS QB 2.840 . 2.840 2.299 2.275 2.331 . 0 0 "[ . 1 . 2]" 1
618 1 33 CYS H 1 34 LEU HG 5.040 . 5.040 4.594 4.453 4.792 . 0 0 "[ . 1 . 2]" 1
619 1 33 CYS H 1 34 LEU H 2.710 . 2.710 2.639 2.610 2.664 . 0 0 "[ . 1 . 2]" 1
620 1 33 CYS HB3 1 34 LEU H 3.570 . 3.570 3.594 3.577 3.608 0.038 17 0 "[ . 1 . 2]" 1
621 1 33 CYS HB3 1 92 ILE MD 3.930 . 3.930 3.830 3.678 3.943 0.013 5 0 "[ . 1 . 2]" 1
622 1 33 CYS HB3 1 92 ILE MG 4.480 . 4.480 2.523 2.302 2.815 . 0 0 "[ . 1 . 2]" 1
623 1 33 CYS HB2 1 34 LEU H 3.570 . 3.570 2.620 2.562 2.667 . 0 0 "[ . 1 . 2]" 1
624 1 33 CYS HB2 1 92 ILE MD 3.930 . 3.930 3.561 3.437 3.666 . 0 0 "[ . 1 . 2]" 1
625 1 33 CYS HB2 1 92 ILE MG 4.480 . 4.480 3.256 3.029 3.534 . 0 0 "[ . 1 . 2]" 1
626 1 33 CYS QB 1 34 LEU H 2.980 . 2.980 2.560 2.508 2.599 . 0 0 "[ . 1 . 2]" 1
627 1 33 CYS QB 1 34 LEU QD 5.280 . 5.280 3.437 3.347 3.573 . 0 0 "[ . 1 . 2]" 1
628 1 33 CYS QB 1 37 TYR QE 3.910 . 3.910 3.704 3.640 3.758 . 0 0 "[ . 1 . 2]" 1
629 1 33 CYS QB 1 92 ILE HB 5.340 . 5.340 3.596 3.387 3.815 . 0 0 "[ . 1 . 2]" 1
630 1 33 CYS QB 1 92 ILE MD 3.430 . 3.430 3.277 3.157 3.373 . 0 0 "[ . 1 . 2]" 1
631 1 33 CYS QB 1 92 ILE MG 3.720 . 3.720 2.441 2.236 2.710 . 0 0 "[ . 1 . 2]" 1
632 1 34 LEU HA 1 34 LEU QD 3.430 . 3.430 2.011 1.990 2.038 . 0 0 "[ . 1 . 2]" 1
633 1 34 LEU HA 1 37 TYR H 3.430 . 3.430 3.389 3.231 3.444 0.014 14 0 "[ . 1 . 2]" 1
634 1 34 LEU HA 1 37 TYR HB3 5.040 . 5.040 4.417 4.279 4.522 . 0 0 "[ . 1 . 2]" 1
635 1 34 LEU HA 1 37 TYR HB2 5.500 . 5.500 2.875 2.713 2.992 . 0 0 "[ . 1 . 2]" 1
636 1 34 LEU HA 1 37 TYR QD 2.540 . 2.540 1.957 1.880 2.052 . 0 0 "[ . 1 . 2]" 1
637 1 34 LEU HA 1 37 TYR QE 3.770 . 3.770 3.403 3.281 3.552 . 0 0 "[ . 1 . 2]" 1
638 1 34 LEU HA 1 92 ILE MG 5.500 . 5.500 3.721 3.597 3.893 . 0 0 "[ . 1 . 2]" 1
639 1 34 LEU HG 1 37 TYR QE 5.500 . 5.500 5.533 5.477 5.573 0.073 19 0 "[ . 1 . 2]" 1
640 1 34 LEU HG 1 47 ILE MD 5.110 . 5.110 4.188 4.035 4.303 . 0 0 "[ . 1 . 2]" 1
641 1 34 LEU HG 1 57 ALA MB 5.220 . 5.220 3.968 3.813 4.130 . 0 0 "[ . 1 . 2]" 1
642 1 34 LEU HG 1 92 ILE MD 4.690 . 4.690 3.137 3.005 3.262 . 0 0 "[ . 1 . 2]" 1
643 1 34 LEU H 1 34 LEU HG 3.080 . 3.080 2.530 2.407 2.698 . 0 0 "[ . 1 . 2]" 1
644 1 34 LEU H 1 34 LEU HB3 3.760 . 3.760 3.632 3.615 3.648 . 0 0 "[ . 1 . 2]" 1
645 1 34 LEU H 1 34 LEU HB2 2.660 . 2.660 2.471 2.436 2.493 . 0 0 "[ . 1 . 2]" 1
646 1 34 LEU H 1 34 LEU QD 3.480 . 3.480 3.190 3.131 3.283 . 0 0 "[ . 1 . 2]" 1
647 1 34 LEU H 1 34 LEU MD1 4.200 . 4.200 3.784 3.679 3.869 . 0 0 "[ . 1 . 2]" 1
648 1 34 LEU H 1 34 LEU MD2 4.200 . 4.200 3.436 3.335 3.550 . 0 0 "[ . 1 . 2]" 1
649 1 34 LEU H 1 36 PRO HD3 5.090 . 5.090 5.130 5.114 5.137 0.047 5 0 "[ . 1 . 2]" 1
650 1 34 LEU H 1 36 PRO HD2 4.680 . 4.680 3.843 3.793 3.875 . 0 0 "[ . 1 . 2]" 1
651 1 34 LEU H 1 36 PRO QG 5.120 . 5.120 5.137 5.072 5.166 0.046 9 0 "[ . 1 . 2]" 1
652 1 34 LEU H 1 53 PHE QE 5.150 . 5.150 4.169 3.977 4.335 . 0 0 "[ . 1 . 2]" 1
653 1 34 LEU H 1 92 ILE MD 4.590 . 4.590 4.651 4.638 4.665 0.075 9 0 "[ . 1 . 2]" 1
654 1 34 LEU HB3 1 47 ILE MD 4.810 . 4.810 2.103 1.994 2.155 . 0 0 "[ . 1 . 2]" 1
655 1 34 LEU HB3 1 53 PHE QD 3.820 . 3.820 3.034 2.841 3.207 . 0 0 "[ . 1 . 2]" 1
656 1 34 LEU HB3 1 53 PHE QE 4.030 . 4.030 2.670 2.532 2.839 . 0 0 "[ . 1 . 2]" 1
657 1 34 LEU HB3 1 57 ALA MB 5.500 . 5.500 4.529 4.408 4.662 . 0 0 "[ . 1 . 2]" 1
658 1 34 LEU HB2 1 47 ILE MD 4.630 . 4.630 3.443 3.336 3.499 . 0 0 "[ . 1 . 2]" 1
659 1 34 LEU HB2 1 53 PHE HZ 4.170 . 4.170 3.203 3.085 3.429 . 0 0 "[ . 1 . 2]" 1
660 1 34 LEU HB2 1 53 PHE QE 3.440 . 3.440 2.464 2.281 2.647 . 0 0 "[ . 1 . 2]" 1
661 1 34 LEU HB2 1 56 LEU QD 5.440 . 5.440 5.196 4.930 5.429 . 0 0 "[ . 1 . 2]" 1
662 1 34 LEU QD 1 35 ASN H 5.440 . 5.440 4.260 4.208 4.311 . 0 0 "[ . 1 . 2]" 1
663 1 34 LEU QD 1 37 TYR H 4.670 . 4.670 4.495 4.345 4.573 . 0 0 "[ . 1 . 2]" 1
664 1 34 LEU QD 1 37 TYR HB3 5.440 . 5.440 3.917 3.655 4.113 . 0 0 "[ . 1 . 2]" 1
665 1 34 LEU QD 1 37 TYR HB2 5.440 . 5.440 3.180 2.957 3.321 . 0 0 "[ . 1 . 2]" 1
666 1 34 LEU QD 1 37 TYR QD 3.190 . 3.190 3.124 2.971 3.215 0.025 11 0 "[ . 1 . 2]" 1
667 1 34 LEU QD 1 37 TYR QE 3.930 . 3.930 3.586 3.479 3.763 . 0 0 "[ . 1 . 2]" 1
668 1 34 LEU QD 1 47 ILE MD 3.260 . 3.260 2.029 1.887 2.205 . 0 0 "[ . 1 . 2]" 1
669 1 34 LEU QD 1 53 PHE H 5.440 . 5.440 5.462 5.435 5.489 0.049 15 0 "[ . 1 . 2]" 1
670 1 34 LEU QD 1 53 PHE QD 4.370 . 4.370 3.512 3.431 3.604 . 0 0 "[ . 1 . 2]" 1
671 1 34 LEU QD 1 53 PHE QE 4.480 . 4.480 3.543 3.438 3.645 . 0 0 "[ . 1 . 2]" 1
672 1 34 LEU QD 1 56 LEU H 5.080 . 5.080 4.232 4.151 4.322 . 0 0 "[ . 1 . 2]" 1
673 1 34 LEU QD 1 56 LEU HB3 3.760 . 3.760 2.344 2.113 2.590 . 0 0 "[ . 1 . 2]" 1
674 1 34 LEU QD 1 56 LEU QD 3.130 . 3.130 2.242 2.050 2.461 . 0 0 "[ . 1 . 2]" 1
675 1 34 LEU QD 1 57 ALA HA 3.530 . 3.530 2.264 2.140 2.349 . 0 0 "[ . 1 . 2]" 1
676 1 34 LEU QD 1 57 ALA H 3.360 . 3.360 2.792 2.707 2.874 . 0 0 "[ . 1 . 2]" 1
677 1 34 LEU QD 1 57 ALA MB 3.370 . 3.370 2.013 1.928 2.098 . 0 0 "[ . 1 . 2]" 1
678 1 34 LEU QD 1 58 ARG H 4.870 . 4.870 4.495 4.394 4.560 . 0 0 "[ . 1 . 2]" 1
679 1 34 LEU QD 1 59 LYS H 5.440 . 5.440 5.284 5.040 5.452 0.012 15 0 "[ . 1 . 2]" 1
680 1 34 LEU QD 1 60 LEU MD1 3.870 . 3.870 1.844 1.797 1.939 0.003 18 0 "[ . 1 . 2]" 1
681 1 34 LEU QD 1 92 ILE MD 4.290 . 4.290 2.504 2.338 2.658 . 0 0 "[ . 1 . 2]" 1
682 1 34 LEU QD 1 92 ILE MG 3.240 . 3.240 2.186 2.085 2.299 . 0 0 "[ . 1 . 2]" 1
683 1 34 LEU QD 1 96 MET H 5.440 . 5.440 5.172 4.976 5.314 . 0 0 "[ . 1 . 2]" 1
684 1 34 LEU QD 1 96 MET ME 3.750 . 3.750 2.900 2.643 3.091 . 0 0 "[ . 1 . 2]" 1
685 1 34 LEU QD 1 96 MET QG 5.280 . 5.280 3.073 2.766 3.253 . 0 0 "[ . 1 . 2]" 1
686 1 34 LEU MD1 1 47 ILE MD 3.840 . 3.840 2.421 2.216 2.602 . 0 0 "[ . 1 . 2]" 1
687 1 34 LEU MD1 1 53 PHE QE 5.500 . 5.500 3.694 3.570 3.817 . 0 0 "[ . 1 . 2]" 1
688 1 34 LEU MD1 1 92 ILE MG 4.150 . 4.150 4.003 3.907 4.089 . 0 0 "[ . 1 . 2]" 1
689 1 34 LEU MD1 1 96 MET ME 4.900 . 4.900 4.244 4.002 4.355 . 0 0 "[ . 1 . 2]" 1
690 1 34 LEU MD2 1 47 ILE MD 3.840 . 3.840 2.183 2.045 2.419 . 0 0 "[ . 1 . 2]" 1
691 1 34 LEU MD2 1 53 PHE QE 5.500 . 5.500 4.556 4.482 4.650 . 0 0 "[ . 1 . 2]" 1
692 1 34 LEU MD2 1 92 ILE MG 4.150 . 4.150 2.196 2.093 2.312 . 0 0 "[ . 1 . 2]" 1
693 1 34 LEU MD2 1 96 MET ME 4.900 . 4.900 2.954 2.681 3.164 . 0 0 "[ . 1 . 2]" 1
694 1 35 ASN HA 1 35 ASN HD21 3.670 . 3.670 2.516 1.935 2.834 . 0 0 "[ . 1 . 2]" 1
695 1 35 ASN HA 1 38 ARG QD 3.960 . 3.960 3.059 2.869 3.324 . 0 0 "[ . 1 . 2]" 1
696 1 35 ASN HA 1 38 ARG QG 3.770 . 3.770 2.359 2.188 2.605 . 0 0 "[ . 1 . 2]" 1
697 1 35 ASN HA 1 53 PHE HZ 5.020 . 5.020 3.700 3.461 3.895 . 0 0 "[ . 1 . 2]" 1
698 1 35 ASN HA 1 53 PHE QD 4.490 . 4.490 4.361 4.225 4.504 0.014 17 0 "[ . 1 . 2]" 1
699 1 35 ASN HA 1 53 PHE QE 4.200 . 4.200 2.524 2.359 2.666 . 0 0 "[ . 1 . 2]" 1
700 1 35 ASN H 1 35 ASN HB3 3.990 . 3.990 3.589 3.517 3.671 . 0 0 "[ . 1 . 2]" 1
701 1 35 ASN H 1 35 ASN HB2 3.190 . 3.190 2.273 2.199 2.347 . 0 0 "[ . 1 . 2]" 1
702 1 35 ASN H 1 35 ASN HD21 5.500 . 5.500 2.084 2.021 2.133 . 0 0 "[ . 1 . 2]" 1
703 1 35 ASN H 1 35 ASN HD22 3.470 . 3.470 3.648 3.610 3.691 0.221 10 0 "[ . 1 . 2]" 1
704 1 35 ASN H 1 36 PRO HD2 4.700 . 4.700 2.762 2.702 2.814 . 0 0 "[ . 1 . 2]" 1
705 1 35 ASN H 1 53 PHE QD 5.500 . 5.500 5.160 5.008 5.301 . 0 0 "[ . 1 . 2]" 1
706 1 35 ASN H 1 53 PHE QE 4.510 . 4.510 2.935 2.781 3.047 . 0 0 "[ . 1 . 2]" 1
707 1 35 ASN HB3 1 36 PRO HD3 3.740 . 3.740 2.941 2.755 3.056 . 0 0 "[ . 1 . 2]" 1
708 1 35 ASN HB3 1 36 PRO HD2 4.280 . 4.280 3.785 3.628 3.907 . 0 0 "[ . 1 . 2]" 1
709 1 35 ASN HB3 1 36 PRO QG 5.500 . 5.500 4.750 4.601 4.845 . 0 0 "[ . 1 . 2]" 1
710 1 35 ASN HB3 1 37 TYR H 5.100 . 5.100 4.974 4.895 5.078 . 0 0 "[ . 1 . 2]" 1
711 1 35 ASN HB3 1 53 PHE QE 5.500 . 5.500 5.057 4.920 5.181 . 0 0 "[ . 1 . 2]" 1
712 1 35 ASN HB2 1 35 ASN HD22 3.410 . 3.410 3.464 3.421 3.549 0.139 18 0 "[ . 1 . 2]" 1
713 1 35 ASN HB2 1 36 PRO HD3 3.580 . 3.580 2.720 2.534 2.845 . 0 0 "[ . 1 . 2]" 1
714 1 35 ASN HB2 1 36 PRO HD2 4.010 . 4.010 3.131 3.034 3.240 . 0 0 "[ . 1 . 2]" 1
715 1 35 ASN HB2 1 36 PRO QG 5.500 . 5.500 4.552 4.405 4.644 . 0 0 "[ . 1 . 2]" 1
716 1 35 ASN HB2 1 53 PHE QE 4.850 . 4.850 4.528 4.392 4.681 . 0 0 "[ . 1 . 2]" 1
717 1 36 PRO HA 1 38 ARG H 4.080 . 4.080 4.142 4.124 4.161 0.081 8 0 "[ . 1 . 2]" 1
718 1 36 PRO HA 1 39 LYS H 4.250 . 4.250 3.831 3.756 3.936 . 0 0 "[ . 1 . 2]" 1
719 1 36 PRO HA 1 39 LYS QD 4.260 . 4.260 3.807 2.066 4.267 0.007 10 0 "[ . 1 . 2]" 1
720 1 36 PRO HA 1 39 LYS QE 5.170 . 5.170 2.988 2.330 3.891 . 0 0 "[ . 1 . 2]" 1
721 1 36 PRO HA 1 39 LYS HG3 4.400 . 4.400 2.579 2.218 2.957 . 0 0 "[ . 1 . 2]" 1
722 1 36 PRO HA 1 39 LYS HG2 4.400 . 4.400 2.441 2.120 4.409 0.009 8 0 "[ . 1 . 2]" 1
723 1 36 PRO HA 1 39 LYS QG 3.660 . 3.660 2.169 1.959 2.914 . 0 0 "[ . 1 . 2]" 1
724 1 36 PRO HB3 1 37 TYR QD 5.500 . 5.500 5.097 5.039 5.158 . 0 0 "[ . 1 . 2]" 1
725 1 36 PRO HB3 1 37 TYR QE 5.500 . 5.500 5.548 5.522 5.582 0.082 16 0 "[ . 1 . 2]" 1
726 1 36 PRO HB2 1 37 TYR H 4.030 . 4.030 3.644 3.595 3.704 . 0 0 "[ . 1 . 2]" 1
727 1 36 PRO HB2 1 37 TYR QD 5.500 . 5.500 4.171 4.086 4.252 . 0 0 "[ . 1 . 2]" 1
728 1 36 PRO HB2 1 37 TYR QE 5.500 . 5.500 4.620 4.535 4.685 . 0 0 "[ . 1 . 2]" 1
729 1 36 PRO HB2 1 38 ARG H 5.500 . 5.500 5.378 5.339 5.438 . 0 0 "[ . 1 . 2]" 1
730 1 36 PRO HB2 1 39 LYS H 5.460 . 5.460 5.389 5.307 5.472 0.012 4 0 "[ . 1 . 2]" 1
731 1 36 PRO HD2 1 37 TYR H 3.160 . 3.160 2.890 2.812 2.952 . 0 0 "[ . 1 . 2]" 1
732 1 36 PRO HD2 1 37 TYR QD 5.500 . 5.500 2.800 2.693 2.882 . 0 0 "[ . 1 . 2]" 1
733 1 36 PRO HD2 1 53 PHE QE 4.960 . 4.960 4.896 4.743 4.985 0.025 17 0 "[ . 1 . 2]" 1
734 1 36 PRO QG 1 37 TYR H 3.520 . 3.520 2.877 2.759 2.990 . 0 0 "[ . 1 . 2]" 1
735 1 36 PRO QG 1 37 TYR QD 3.650 . 3.650 2.430 2.359 2.486 . 0 0 "[ . 1 . 2]" 1
736 1 36 PRO QG 1 37 TYR QE 3.140 . 3.140 2.698 2.640 2.759 . 0 0 "[ . 1 . 2]" 1
737 1 37 TYR HA 1 37 TYR QD 3.330 . 3.330 3.049 2.902 3.100 . 0 0 "[ . 1 . 2]" 1
738 1 37 TYR HA 1 37 TYR QE 4.940 . 4.940 4.644 4.538 4.689 . 0 0 "[ . 1 . 2]" 1
739 1 37 TYR HA 1 39 LYS H 3.780 . 3.780 3.564 3.492 3.650 . 0 0 "[ . 1 . 2]" 1
740 1 37 TYR HA 1 42 CYS H 5.270 . 5.270 5.213 4.890 5.327 0.057 18 0 "[ . 1 . 2]" 1
741 1 37 TYR HA 1 42 CYS HB3 4.970 . 4.970 3.508 3.312 3.923 . 0 0 "[ . 1 . 2]" 1
742 1 37 TYR HA 1 42 CYS HB2 4.380 . 4.380 2.635 2.314 2.896 . 0 0 "[ . 1 . 2]" 1
743 1 37 TYR HA 1 46 ARG HA 4.960 . 4.960 3.317 3.199 3.432 . 0 0 "[ . 1 . 2]" 1
744 1 37 TYR HA 1 47 ILE H 4.540 . 4.540 3.924 3.818 4.017 . 0 0 "[ . 1 . 2]" 1
745 1 37 TYR HA 1 47 ILE MD 5.500 . 5.500 4.749 4.611 4.886 . 0 0 "[ . 1 . 2]" 1
746 1 37 TYR H 1 37 TYR HB3 3.770 . 3.770 3.629 3.611 3.646 . 0 0 "[ . 1 . 2]" 1
747 1 37 TYR H 1 37 TYR HB2 2.870 . 2.870 2.441 2.406 2.467 . 0 0 "[ . 1 . 2]" 1
748 1 37 TYR H 1 37 TYR QD 2.710 . 2.710 2.263 2.186 2.375 . 0 0 "[ . 1 . 2]" 1
749 1 37 TYR H 1 37 TYR QE 4.670 . 4.670 4.369 4.300 4.427 . 0 0 "[ . 1 . 2]" 1
750 1 37 TYR H 1 38 ARG HA 5.320 . 5.320 4.956 4.902 5.009 . 0 0 "[ . 1 . 2]" 1
751 1 37 TYR H 1 38 ARG QD 5.340 . 5.340 5.398 5.364 5.423 0.083 14 0 "[ . 1 . 2]" 1
752 1 37 TYR H 1 38 ARG QG 4.050 . 4.050 3.690 3.599 3.781 . 0 0 "[ . 1 . 2]" 1
753 1 37 TYR H 1 39 LYS H 4.100 . 4.100 3.817 3.711 3.896 . 0 0 "[ . 1 . 2]" 1
754 1 37 TYR H 1 39 LYS QE 5.350 . 5.350 4.924 4.625 5.372 0.022 19 0 "[ . 1 . 2]" 1
755 1 37 TYR H 1 42 CYS HB2 5.500 . 5.500 4.883 4.642 5.206 . 0 0 "[ . 1 . 2]" 1
756 1 37 TYR H 1 47 ILE MD 4.240 . 4.240 4.053 3.921 4.182 . 0 0 "[ . 1 . 2]" 1
757 1 37 TYR HB3 1 38 ARG H 4.010 . 4.010 3.889 3.837 3.946 . 0 0 "[ . 1 . 2]" 1
758 1 37 TYR HB3 1 46 ARG HA 4.840 . 4.840 3.184 2.973 3.409 . 0 0 "[ . 1 . 2]" 1
759 1 37 TYR HB3 1 47 ILE H 3.660 . 3.660 3.009 2.850 3.121 . 0 0 "[ . 1 . 2]" 1
760 1 37 TYR HB3 1 47 ILE MD 4.160 . 4.160 3.175 3.013 3.340 . 0 0 "[ . 1 . 2]" 1
761 1 37 TYR HB3 1 47 ILE HG13 5.160 . 5.160 2.295 2.196 2.365 . 0 0 "[ . 1 . 2]" 1
762 1 37 TYR HB3 1 47 ILE HG12 5.500 . 5.500 3.782 3.577 3.831 . 0 0 "[ . 1 . 2]" 1
763 1 37 TYR HB3 1 96 MET ME 4.580 . 4.580 2.724 2.531 2.917 . 0 0 "[ . 1 . 2]" 1
764 1 37 TYR HB2 1 38 ARG H 3.780 . 3.780 3.013 2.937 3.079 . 0 0 "[ . 1 . 2]" 1
765 1 37 TYR HB2 1 39 LYS H 5.290 . 5.290 4.866 4.808 4.923 . 0 0 "[ . 1 . 2]" 1
766 1 37 TYR HB2 1 46 ARG HA 5.500 . 5.500 4.654 4.457 4.881 . 0 0 "[ . 1 . 2]" 1
767 1 37 TYR HB2 1 47 ILE H 4.380 . 4.380 3.980 3.825 4.162 . 0 0 "[ . 1 . 2]" 1
768 1 37 TYR HB2 1 47 ILE MD 3.860 . 3.860 2.513 2.395 2.603 . 0 0 "[ . 1 . 2]" 1
769 1 37 TYR HB2 1 47 ILE HG13 5.500 . 5.500 2.774 2.639 2.938 . 0 0 "[ . 1 . 2]" 1
770 1 37 TYR HB2 1 47 ILE HG12 5.500 . 5.500 4.175 3.970 4.291 . 0 0 "[ . 1 . 2]" 1
771 1 37 TYR HB2 1 96 MET ME 5.300 . 5.300 3.463 3.214 3.753 . 0 0 "[ . 1 . 2]" 1
772 1 37 TYR QD 1 38 ARG H 4.460 . 4.460 4.181 4.109 4.254 . 0 0 "[ . 1 . 2]" 1
773 1 37 TYR QD 1 42 CYS HB2 5.210 . 5.210 5.006 4.698 5.229 0.019 11 0 "[ . 1 . 2]" 1
774 1 37 TYR QD 1 44 VAL QG 5.100 . 5.100 3.742 3.350 4.439 . 0 0 "[ . 1 . 2]" 1
775 1 37 TYR QD 1 45 GLY H 5.500 . 5.500 4.722 4.618 4.841 . 0 0 "[ . 1 . 2]" 1
776 1 37 TYR QD 1 45 GLY HA3 3.900 . 3.900 2.718 2.555 2.949 . 0 0 "[ . 1 . 2]" 1
777 1 37 TYR QD 1 46 ARG HA 4.560 . 4.560 3.988 3.756 4.178 . 0 0 "[ . 1 . 2]" 1
778 1 37 TYR QD 1 47 ILE H 4.730 . 4.730 4.687 4.565 4.753 0.023 18 0 "[ . 1 . 2]" 1
779 1 37 TYR QD 1 47 ILE MD 4.060 . 4.060 3.948 3.860 4.016 . 0 0 "[ . 1 . 2]" 1
780 1 37 TYR QD 1 47 ILE HG13 4.370 . 4.370 4.177 4.108 4.230 . 0 0 "[ . 1 . 2]" 1
781 1 37 TYR QD 1 47 ILE HG12 5.230 . 5.230 5.208 5.029 5.263 0.033 3 0 "[ . 1 . 2]" 1
782 1 37 TYR QD 1 56 LEU QD 5.440 . 5.440 5.130 5.037 5.249 . 0 0 "[ . 1 . 2]" 1
783 1 37 TYR QD 1 92 ILE MG 4.410 . 4.410 4.075 3.926 4.158 . 0 0 "[ . 1 . 2]" 1
784 1 37 TYR QD 1 96 MET HB3 3.520 . 3.520 3.183 3.081 3.317 . 0 0 "[ . 1 . 2]" 1
785 1 37 TYR QD 1 96 MET ME 3.270 . 3.270 2.663 2.509 2.778 . 0 0 "[ . 1 . 2]" 1
786 1 37 TYR QD 1 96 MET QG 4.060 . 4.060 3.858 3.116 4.228 0.168 18 0 "[ . 1 . 2]" 1
787 1 37 TYR QE 1 44 VAL HB 5.500 . 5.500 5.171 3.807 5.595 0.095 8 0 "[ . 1 . 2]" 1
788 1 37 TYR QE 1 44 VAL H 5.470 . 5.470 4.959 4.659 5.262 . 0 0 "[ . 1 . 2]" 1
789 1 37 TYR QE 1 44 VAL QG 4.300 . 4.300 2.855 2.514 3.778 . 0 0 "[ . 1 . 2]" 1
790 1 37 TYR QE 1 45 GLY H 5.500 . 5.500 5.417 5.206 5.525 0.025 4 0 "[ . 1 . 2]" 1
791 1 37 TYR QE 1 45 GLY HA3 4.330 . 4.330 3.655 3.411 3.824 . 0 0 "[ . 1 . 2]" 1
792 1 37 TYR QE 1 45 GLY HA2 5.500 . 5.500 5.348 5.110 5.505 0.005 11 0 "[ . 1 . 2]" 1
793 1 37 TYR QE 1 92 ILE MD 5.270 . 5.270 5.309 5.282 5.366 0.096 10 0 "[ . 1 . 2]" 1
794 1 37 TYR QE 1 92 ILE MG 3.290 . 3.290 3.121 2.998 3.222 . 0 0 "[ . 1 . 2]" 1
795 1 37 TYR QE 1 93 LYS HA 4.570 . 4.570 3.628 3.453 3.786 . 0 0 "[ . 1 . 2]" 1
796 1 37 TYR QE 1 96 MET HB3 3.120 . 3.120 3.040 2.827 3.150 0.030 18 0 "[ . 1 . 2]" 1
797 1 37 TYR QE 1 96 MET HB2 3.380 . 3.380 2.420 2.346 2.546 . 0 0 "[ . 1 . 2]" 1
798 1 37 TYR QE 1 96 MET ME 3.640 . 3.640 3.698 3.654 3.726 0.086 5 0 "[ . 1 . 2]" 1
799 1 37 TYR QE 1 96 MET HG3 5.500 . 5.500 3.482 2.689 3.896 . 0 0 "[ . 1 . 2]" 1
800 1 37 TYR QE 1 96 MET HG2 5.500 . 5.500 4.484 3.837 4.827 . 0 0 "[ . 1 . 2]" 1
801 1 37 TYR QE 1 97 GLN H 5.500 . 5.500 4.923 4.780 5.275 . 0 0 "[ . 1 . 2]" 1
802 1 38 ARG HA 1 38 ARG HD3 5.030 . 5.030 4.739 4.647 4.823 . 0 0 "[ . 1 . 2]" 1
803 1 38 ARG HA 1 38 ARG HD2 5.030 . 5.030 4.671 4.606 4.769 . 0 0 "[ . 1 . 2]" 1
804 1 38 ARG HA 1 38 ARG QD 4.400 . 4.400 4.191 4.136 4.243 . 0 0 "[ . 1 . 2]" 1
805 1 38 ARG HA 1 38 ARG HG3 3.930 . 3.930 3.689 3.661 3.715 . 0 0 "[ . 1 . 2]" 1
806 1 38 ARG HA 1 38 ARG HG2 3.930 . 3.930 3.746 3.714 3.790 . 0 0 "[ . 1 . 2]" 1
807 1 38 ARG HA 1 47 ILE HB 3.830 . 3.830 2.084 1.958 2.208 . 0 0 "[ . 1 . 2]" 1
808 1 38 ARG HA 1 47 ILE MD 5.350 . 5.350 3.585 3.366 3.817 . 0 0 "[ . 1 . 2]" 1
809 1 38 ARG HA 1 47 ILE HG13 5.500 . 5.500 3.463 3.392 3.547 . 0 0 "[ . 1 . 2]" 1
810 1 38 ARG HA 1 47 ILE HG12 5.500 . 5.500 4.686 4.623 4.772 . 0 0 "[ . 1 . 2]" 1
811 1 38 ARG HA 1 47 ILE MG 5.500 . 5.500 3.625 3.536 3.738 . 0 0 "[ . 1 . 2]" 1
812 1 38 ARG H 1 38 ARG QB 3.020 . 3.020 2.667 2.612 2.703 . 0 0 "[ . 1 . 2]" 1
813 1 38 ARG H 1 38 ARG QG 2.400 . 2.400 2.083 1.983 2.175 . 0 0 "[ . 1 . 2]" 1
814 1 38 ARG H 1 39 LYS H 2.610 . 2.610 2.414 2.333 2.472 . 0 0 "[ . 1 . 2]" 1
815 1 38 ARG H 1 47 ILE H 5.500 . 5.500 4.147 4.034 4.264 . 0 0 "[ . 1 . 2]" 1
816 1 38 ARG H 1 47 ILE MD 4.180 . 4.180 3.385 3.220 3.511 . 0 0 "[ . 1 . 2]" 1
817 1 38 ARG H 1 47 ILE MG 5.500 . 5.500 5.104 5.024 5.215 . 0 0 "[ . 1 . 2]" 1
818 1 38 ARG HB3 1 47 ILE HB 5.500 . 5.500 2.341 2.088 2.539 . 0 0 "[ . 1 . 2]" 1
819 1 38 ARG HB2 1 47 ILE HB 5.500 . 5.500 2.993 2.840 3.142 . 0 0 "[ . 1 . 2]" 1
820 1 38 ARG QB 1 39 LYS QE 5.340 . 5.340 5.024 4.271 5.420 0.080 4 0 "[ . 1 . 2]" 1
821 1 38 ARG QB 1 53 PHE QD 4.790 . 4.790 2.180 2.006 2.382 . 0 0 "[ . 1 . 2]" 1
822 1 38 ARG HD3 1 47 ILE HB 5.500 . 5.500 4.667 4.290 4.935 . 0 0 "[ . 1 . 2]" 1
823 1 38 ARG HD3 1 47 ILE MG 5.500 . 5.500 4.616 4.215 4.806 . 0 0 "[ . 1 . 2]" 1
824 1 38 ARG HD3 1 53 PHE HB3 5.500 . 5.500 4.593 4.206 4.843 . 0 0 "[ . 1 . 2]" 1
825 1 38 ARG HD3 1 53 PHE HB2 4.790 . 4.790 3.847 3.404 4.092 . 0 0 "[ . 1 . 2]" 1
826 1 38 ARG HD3 1 53 PHE QD 4.370 . 4.370 2.711 2.512 2.849 . 0 0 "[ . 1 . 2]" 1
827 1 38 ARG HD3 1 53 PHE QE 5.500 . 5.500 2.695 2.563 2.988 . 0 0 "[ . 1 . 2]" 1
828 1 38 ARG HD2 1 47 ILE HB 5.500 . 5.500 4.969 4.735 5.186 . 0 0 "[ . 1 . 2]" 1
829 1 38 ARG HD2 1 47 ILE MG 5.500 . 5.500 4.895 4.599 5.159 . 0 0 "[ . 1 . 2]" 1
830 1 38 ARG HD2 1 53 PHE HB3 5.500 . 5.500 4.992 4.725 5.229 . 0 0 "[ . 1 . 2]" 1
831 1 38 ARG HD2 1 53 PHE HB2 4.790 . 4.790 4.308 3.996 4.518 . 0 0 "[ . 1 . 2]" 1
832 1 38 ARG HD2 1 53 PHE QD 4.370 . 4.370 3.912 3.754 4.039 . 0 0 "[ . 1 . 2]" 1
833 1 38 ARG HD2 1 53 PHE QE 5.500 . 5.500 4.338 4.216 4.558 . 0 0 "[ . 1 . 2]" 1
834 1 38 ARG QD 1 39 LYS H 5.340 . 5.340 5.016 4.993 5.038 . 0 0 "[ . 1 . 2]" 1
835 1 38 ARG QD 1 39 LYS QE 5.340 . 5.340 4.637 3.879 5.197 . 0 0 "[ . 1 . 2]" 1
836 1 38 ARG QD 1 47 ILE MG 4.720 . 4.720 4.221 3.925 4.382 . 0 0 "[ . 1 . 2]" 1
837 1 38 ARG QD 1 53 PHE HA 5.340 . 5.340 5.268 4.984 5.383 0.043 7 0 "[ . 1 . 2]" 1
838 1 38 ARG QD 1 53 PHE QD 3.840 . 3.840 2.663 2.484 2.782 . 0 0 "[ . 1 . 2]" 1
839 1 38 ARG QD 1 53 PHE QE 4.630 . 4.630 2.670 2.542 2.950 . 0 0 "[ . 1 . 2]" 1
840 1 38 ARG HG3 1 39 LYS HA 4.070 . 4.070 3.604 3.518 3.693 . 0 0 "[ . 1 . 2]" 1
841 1 38 ARG HG3 1 39 LYS H 3.240 . 3.240 3.318 3.288 3.352 0.112 5 0 "[ . 1 . 2]" 1
842 1 38 ARG HG3 1 40 PRO HD3 5.500 . 5.500 5.310 5.068 5.531 0.031 10 0 "[ . 1 . 2]" 1
843 1 38 ARG HG3 1 53 PHE QD 4.850 . 4.850 4.764 4.692 4.827 . 0 0 "[ . 1 . 2]" 1
844 1 38 ARG HG2 1 39 LYS H 3.480 . 3.480 3.491 3.425 3.521 0.041 2 0 "[ . 1 . 2]" 1
845 1 38 ARG HG2 1 47 ILE MD 4.810 . 4.810 3.989 3.790 4.169 . 0 0 "[ . 1 . 2]" 1
846 1 38 ARG HG2 1 47 ILE MG 5.500 . 5.500 5.264 5.042 5.411 . 0 0 "[ . 1 . 2]" 1
847 1 38 ARG HG2 1 53 PHE QD 4.920 . 4.920 3.721 3.570 3.865 . 0 0 "[ . 1 . 2]" 1
848 1 38 ARG HG2 1 53 PHE QE 5.150 . 5.150 3.304 3.035 3.534 . 0 0 "[ . 1 . 2]" 1
849 1 39 LYS HA 1 39 LYS QD 4.070 . 4.070 2.300 1.968 3.943 . 0 0 "[ . 1 . 2]" 1
850 1 39 LYS HA 1 39 LYS QE 5.500 . 5.500 3.939 1.816 4.702 . 0 0 "[ . 1 . 2]" 1
851 1 39 LYS HA 1 39 LYS HG3 4.210 . 4.210 3.729 2.988 3.866 . 0 0 "[ . 1 . 2]" 1
852 1 39 LYS HA 1 39 LYS HG2 4.210 . 4.210 3.126 2.472 3.326 . 0 0 "[ . 1 . 2]" 1
853 1 39 LYS HA 1 39 LYS QG 3.520 . 3.520 2.973 2.372 3.117 . 0 0 "[ . 1 . 2]" 1
854 1 39 LYS HA 1 40 PRO HA 4.610 . 4.610 4.436 4.369 4.505 . 0 0 "[ . 1 . 2]" 1
855 1 39 LYS HA 1 40 PRO HD3 3.180 . 3.180 2.377 2.222 2.527 . 0 0 "[ . 1 . 2]" 1
856 1 39 LYS HA 1 40 PRO HD2 3.270 . 3.270 2.273 2.118 2.552 . 0 0 "[ . 1 . 2]" 1
857 1 39 LYS H 1 39 LYS HB2 2.880 . 2.880 2.514 2.404 2.575 . 0 0 "[ . 1 . 2]" 1
858 1 39 LYS H 1 39 LYS QE 3.960 . 3.960 3.988 3.374 4.106 0.146 8 0 "[ . 1 . 2]" 1
859 1 39 LYS H 1 39 LYS QG 2.520 . 2.520 2.219 2.126 2.369 . 0 0 "[ . 1 . 2]" 1
860 1 39 LYS H 1 41 ASP H 5.500 . 5.500 4.881 4.400 5.073 . 0 0 "[ . 1 . 2]" 1
861 1 39 LYS H 1 42 CYS H 4.760 . 4.760 4.472 4.316 4.610 . 0 0 "[ . 1 . 2]" 1
862 1 39 LYS H 1 42 CYS HB2 4.230 . 4.230 3.136 2.971 3.375 . 0 0 "[ . 1 . 2]" 1
863 1 39 LYS H 1 47 ILE H 5.020 . 5.020 4.501 4.334 4.639 . 0 0 "[ . 1 . 2]" 1
864 1 39 LYS H 1 47 ILE MD 5.500 . 5.500 5.249 5.091 5.376 . 0 0 "[ . 1 . 2]" 1
865 1 39 LYS H 1 47 ILE HG13 5.500 . 5.500 5.519 5.416 5.561 0.061 8 0 "[ . 1 . 2]" 1
866 1 39 LYS HB3 1 39 LYS QD 2.730 . 2.730 2.416 2.264 2.508 . 0 0 "[ . 1 . 2]" 1
867 1 39 LYS HB3 1 39 LYS QE 4.840 . 4.840 4.013 3.305 4.261 . 0 0 "[ . 1 . 2]" 1
868 1 39 LYS HB3 1 40 PRO HD3 4.630 . 4.630 3.878 3.409 4.118 . 0 0 "[ . 1 . 2]" 1
869 1 39 LYS HB3 1 40 PRO HD2 4.190 . 4.190 2.503 2.136 2.773 . 0 0 "[ . 1 . 2]" 1
870 1 39 LYS HB3 1 41 ASP H 3.070 . 3.070 2.721 2.429 3.007 . 0 0 "[ . 1 . 2]" 1
871 1 39 LYS HB3 1 42 CYS HB2 5.090 . 5.090 4.485 4.044 5.012 . 0 0 "[ . 1 . 2]" 1
872 1 39 LYS HB2 1 39 LYS QD 3.420 . 3.420 3.206 2.336 3.358 . 0 0 "[ . 1 . 2]" 1
873 1 39 LYS HB2 1 41 ASP H 3.350 . 3.350 3.110 2.717 3.350 . 0 0 "[ . 1 . 2]" 1
874 1 39 LYS HB2 1 42 CYS H 3.320 . 3.320 3.175 2.907 3.370 0.050 8 0 "[ . 1 . 2]" 1
875 1 39 LYS HB2 1 42 CYS HB3 5.290 . 5.290 4.310 3.963 4.659 . 0 0 "[ . 1 . 2]" 1
876 1 39 LYS HB2 1 42 CYS HB2 5.090 . 5.090 2.879 2.488 3.454 . 0 0 "[ . 1 . 2]" 1
877 1 39 LYS QD 1 40 PRO HD3 5.130 . 5.130 3.959 3.530 5.178 0.048 4 0 "[ . 1 . 2]" 1
878 1 39 LYS QD 1 42 CYS HB2 5.500 . 5.500 5.467 4.835 5.573 0.073 14 0 "[ . 1 . 2]" 1
879 1 39 LYS QG 1 40 PRO HD3 5.340 . 5.340 4.979 3.981 5.269 . 0 0 "[ . 1 . 2]" 1
880 1 39 LYS QG 1 40 PRO HD2 5.010 . 5.010 4.180 3.496 4.356 . 0 0 "[ . 1 . 2]" 1
881 1 39 LYS QG 1 41 ASP H 5.040 . 5.040 4.545 4.250 4.792 . 0 0 "[ . 1 . 2]" 1
882 1 40 PRO HA 1 41 ASP HA 4.670 . 4.670 4.598 4.499 4.683 0.013 20 0 "[ . 1 . 2]" 1
883 1 40 PRO HA 1 42 CYS H 3.990 . 3.990 3.636 3.452 3.786 . 0 0 "[ . 1 . 2]" 1
884 1 40 PRO HA 1 46 ARG HE 4.240 . 4.240 4.143 3.581 4.270 0.030 6 0 "[ . 1 . 2]" 1
885 1 40 PRO HA 1 46 ARG HD3 4.510 . 4.510 2.896 2.069 3.675 . 0 0 "[ . 1 . 2]" 1
886 1 40 PRO HA 1 46 ARG HD2 4.510 . 4.510 2.359 1.861 4.021 . 0 0 "[ . 1 . 2]" 1
887 1 40 PRO HA 1 46 ARG QD 3.690 . 3.690 1.985 1.811 2.266 . 0 0 "[ . 1 . 2]" 1
888 1 40 PRO HA 1 46 ARG QG 5.340 . 5.340 3.319 2.738 3.623 . 0 0 "[ . 1 . 2]" 1
889 1 40 PRO QB 1 41 ASP H 3.810 . 3.810 3.574 3.469 3.771 . 0 0 "[ . 1 . 2]" 1
890 1 40 PRO QB 1 42 CYS H 5.340 . 5.340 4.690 4.601 4.804 . 0 0 "[ . 1 . 2]" 1
891 1 40 PRO QB 1 46 ARG HE 5.340 . 5.340 5.329 4.813 5.423 0.083 7 0 "[ . 1 . 2]" 1
892 1 40 PRO HD3 1 41 ASP H 4.100 . 4.100 4.063 3.954 4.134 0.034 6 0 "[ . 1 . 2]" 1
893 1 40 PRO HD3 1 42 CYS H 5.500 . 5.500 5.444 5.311 5.522 0.022 4 0 "[ . 1 . 2]" 1
894 1 40 PRO HD2 1 41 ASP H 3.150 . 3.150 3.007 2.850 3.108 . 0 0 "[ . 1 . 2]" 1
895 1 40 PRO HD2 1 42 CYS H 4.870 . 4.870 4.812 4.601 4.896 0.026 17 0 "[ . 1 . 2]" 1
896 1 40 PRO QG 1 41 ASP H 3.330 . 3.330 3.068 2.847 3.347 0.017 4 0 "[ . 1 . 2]" 1
897 1 41 ASP HA 1 42 CYS H 3.170 . 3.170 3.153 3.034 3.241 0.071 10 0 "[ . 1 . 2]" 1
898 1 41 ASP H 1 41 ASP HB3 3.300 . 3.300 2.628 2.336 2.922 . 0 0 "[ . 1 . 2]" 1
899 1 41 ASP H 1 41 ASP HB2 3.300 . 3.300 3.056 2.745 3.486 0.186 20 0 "[ . 1 . 2]" 1
900 1 41 ASP H 1 41 ASP QB 2.830 . 2.830 2.475 2.238 2.774 . 0 0 "[ . 1 . 2]" 1
901 1 41 ASP H 1 42 CYS H 2.740 . 2.740 2.216 2.014 2.334 . 0 0 "[ . 1 . 2]" 1
902 1 41 ASP H 1 42 CYS HB3 4.840 . 4.840 4.711 4.395 4.846 0.006 17 0 "[ . 1 . 2]" 1
903 1 41 ASP H 1 42 CYS HB2 4.830 . 4.830 4.287 4.076 4.430 . 0 0 "[ . 1 . 2]" 1
904 1 41 ASP H 1 46 ARG QD 5.180 . 5.180 4.107 3.708 4.870 . 0 0 "[ . 1 . 2]" 1
905 1 41 ASP HB3 1 42 CYS H 4.880 . 4.880 3.850 3.230 4.442 . 0 0 "[ . 1 . 2]" 1
906 1 41 ASP HB2 1 42 CYS H 4.880 . 4.880 4.253 4.093 4.423 . 0 0 "[ . 1 . 2]" 1
907 1 41 ASP QB 1 42 CYS H 4.230 . 4.230 3.544 3.115 3.837 . 0 0 "[ . 1 . 2]" 1
908 1 42 CYS HA 1 43 LYS H 3.070 . 3.070 2.121 2.050 2.182 . 0 0 "[ . 1 . 2]" 1
909 1 42 CYS H 1 42 CYS HB3 2.600 . 2.600 2.631 2.548 2.683 0.083 17 0 "[ . 1 . 2]" 1
910 1 42 CYS H 1 42 CYS HB2 2.800 . 2.800 2.595 2.467 2.687 . 0 0 "[ . 1 . 2]" 1
911 1 42 CYS H 1 43 LYS H 4.850 . 4.850 4.547 4.469 4.652 . 0 0 "[ . 1 . 2]" 1
912 1 42 CYS H 1 46 ARG HA 5.130 . 5.130 5.025 4.643 5.160 0.030 10 0 "[ . 1 . 2]" 1
913 1 42 CYS H 1 46 ARG HE 5.480 . 5.480 5.251 3.183 5.550 0.070 20 0 "[ . 1 . 2]" 1
914 1 42 CYS H 1 46 ARG HB2 4.850 . 4.850 4.210 4.050 4.404 . 0 0 "[ . 1 . 2]" 1
915 1 42 CYS H 1 46 ARG QD 3.930 . 3.930 3.058 2.522 4.033 0.103 9 0 "[ . 1 . 2]" 1
916 1 42 CYS H 1 46 ARG QG 4.950 . 4.950 3.400 2.619 4.055 . 0 0 "[ . 1 . 2]" 1
917 1 42 CYS HB3 1 43 LYS H 5.500 . 5.500 4.061 3.964 4.225 . 0 0 "[ . 1 . 2]" 1
918 1 42 CYS HB3 1 44 VAL H 4.860 . 4.860 4.392 4.105 4.605 . 0 0 "[ . 1 . 2]" 1
919 1 42 CYS HB3 1 46 ARG HA 4.810 . 4.810 2.559 2.202 2.737 . 0 0 "[ . 1 . 2]" 1
920 1 42 CYS HB3 1 46 ARG HE 5.250 . 5.250 4.631 2.548 5.092 . 0 0 "[ . 1 . 2]" 1
921 1 42 CYS HB3 1 46 ARG H 4.420 . 4.420 4.089 3.934 4.249 . 0 0 "[ . 1 . 2]" 1
922 1 42 CYS HB3 1 46 ARG HB3 5.500 . 5.500 3.723 3.615 3.801 . 0 0 "[ . 1 . 2]" 1
923 1 42 CYS HB3 1 46 ARG HB2 4.680 . 4.680 2.198 2.083 2.436 . 0 0 "[ . 1 . 2]" 1
924 1 42 CYS HB3 1 46 ARG HD3 4.730 . 4.730 2.980 2.311 4.236 . 0 0 "[ . 1 . 2]" 1
925 1 42 CYS HB3 1 46 ARG HD2 4.730 . 4.730 3.892 3.467 4.428 . 0 0 "[ . 1 . 2]" 1
926 1 42 CYS HB3 1 46 ARG QD 4.160 . 4.160 2.854 2.292 3.791 . 0 0 "[ . 1 . 2]" 1
927 1 42 CYS HB3 1 46 ARG QG 4.000 . 4.000 2.198 1.872 2.888 . 0 0 "[ . 1 . 2]" 1
928 1 42 CYS HB3 1 47 ILE H 4.710 . 4.710 4.169 3.857 4.417 . 0 0 "[ . 1 . 2]" 1
929 1 42 CYS HB2 1 43 LYS H 4.960 . 4.960 4.154 3.985 4.269 . 0 0 "[ . 1 . 2]" 1
930 1 42 CYS HB2 1 44 VAL H 4.870 . 4.870 4.893 4.809 4.950 0.080 19 0 "[ . 1 . 2]" 1
931 1 42 CYS HB2 1 46 ARG HA 5.500 . 5.500 3.479 3.133 3.641 . 0 0 "[ . 1 . 2]" 1
932 1 42 CYS HB2 1 46 ARG H 5.500 . 5.500 5.524 5.264 5.577 0.077 14 0 "[ . 1 . 2]" 1
933 1 42 CYS HB2 1 46 ARG HB3 5.500 . 5.500 5.362 5.048 5.459 . 0 0 "[ . 1 . 2]" 1
934 1 42 CYS HB2 1 46 ARG HB2 4.910 . 4.910 3.920 3.710 4.185 . 0 0 "[ . 1 . 2]" 1
935 1 42 CYS HB2 1 46 ARG HD3 5.500 . 5.500 4.236 3.625 5.182 . 0 0 "[ . 1 . 2]" 1
936 1 42 CYS HB2 1 46 ARG HD2 5.500 . 5.500 4.955 4.420 5.569 0.069 11 0 "[ . 1 . 2]" 1
937 1 42 CYS HB2 1 46 ARG QD 4.730 . 4.730 3.999 3.534 4.655 . 0 0 "[ . 1 . 2]" 1
938 1 42 CYS HB2 1 46 ARG HG3 5.500 . 5.500 3.397 2.667 4.250 . 0 0 "[ . 1 . 2]" 1
939 1 42 CYS HB2 1 46 ARG HG2 5.500 . 5.500 4.679 2.857 5.391 . 0 0 "[ . 1 . 2]" 1
940 1 42 CYS HB2 1 47 ILE H 5.310 . 5.310 4.607 4.354 4.814 . 0 0 "[ . 1 . 2]" 1
941 1 43 LYS HA 1 43 LYS QD 3.980 . 3.980 3.533 2.100 4.110 0.130 11 0 "[ . 1 . 2]" 1
942 1 43 LYS HA 1 43 LYS QE 5.030 . 5.030 4.406 2.010 5.059 0.029 16 0 "[ . 1 . 2]" 1
943 1 43 LYS HA 1 43 LYS QG 3.420 . 3.420 2.555 2.341 3.091 . 0 0 "[ . 1 . 2]" 1
944 1 43 LYS H 1 43 LYS HB3 3.970 . 3.970 3.298 2.326 3.647 . 0 0 "[ . 1 . 2]" 1
945 1 43 LYS H 1 43 LYS HB2 3.970 . 3.970 2.487 2.339 2.711 . 0 0 "[ . 1 . 2]" 1
946 1 43 LYS H 1 43 LYS QB 3.260 . 3.260 2.354 2.125 2.479 . 0 0 "[ . 1 . 2]" 1
947 1 43 LYS H 1 43 LYS QD 4.300 . 4.300 3.687 1.961 4.362 0.062 12 0 "[ . 1 . 2]" 1
948 1 43 LYS H 1 43 LYS QG 4.200 . 4.200 2.934 2.233 3.986 . 0 0 "[ . 1 . 2]" 1
949 1 43 LYS H 1 44 VAL H 3.060 . 3.060 2.334 2.026 2.559 . 0 0 "[ . 1 . 2]" 1
950 1 43 LYS H 1 44 VAL QG 5.440 . 5.440 3.814 3.557 4.323 . 0 0 "[ . 1 . 2]" 1
951 1 43 LYS HB3 1 43 LYS QD 3.840 . 3.840 2.629 2.255 3.330 . 0 0 "[ . 1 . 2]" 1
952 1 43 LYS HB2 1 43 LYS QD 3.840 . 3.840 2.533 2.261 3.516 . 0 0 "[ . 1 . 2]" 1
953 1 43 LYS QB 1 43 LYS QD 3.340 . 3.340 2.216 2.048 2.744 . 0 0 "[ . 1 . 2]" 1
954 1 43 LYS QB 1 44 VAL H 2.840 . 2.840 2.747 2.459 2.887 0.047 17 0 "[ . 1 . 2]" 1
955 1 43 LYS QB 1 44 VAL QG 3.720 . 3.720 2.801 2.292 3.307 . 0 0 "[ . 1 . 2]" 1
956 1 43 LYS QD 1 44 VAL QG 5.440 . 5.440 4.218 3.633 5.185 . 0 0 "[ . 1 . 2]" 1
957 1 43 LYS QD 1 43 LYS QG 2.420 . 2.420 2.065 1.977 2.098 . 0 0 "[ . 1 . 2]" 1
958 1 43 LYS QG 1 44 VAL QG 5.280 . 5.280 4.219 3.545 4.844 . 0 0 "[ . 1 . 2]" 1
959 1 44 VAL HA 1 44 VAL MG1 3.440 . 3.440 3.031 2.372 3.247 . 0 0 "[ . 1 . 2]" 1
960 1 44 VAL HA 1 44 VAL MG2 3.440 . 3.440 2.409 2.365 2.477 . 0 0 "[ . 1 . 2]" 1
961 1 44 VAL HA 1 45 GLY H 2.440 . 2.440 2.070 2.012 2.145 . 0 0 "[ . 1 . 2]" 1
962 1 44 VAL HA 1 46 ARG H 4.030 . 4.030 4.008 3.883 4.069 0.039 11 0 "[ . 1 . 2]" 1
963 1 44 VAL HA 1 101 ALA HA 3.160 . 3.160 2.534 2.262 2.761 . 0 0 "[ . 1 . 2]" 1
964 1 44 VAL HA 1 101 ALA MB 4.370 . 4.370 4.164 3.947 4.365 . 0 0 "[ . 1 . 2]" 1
965 1 44 VAL HB 1 45 GLY H 4.190 . 4.190 4.173 4.099 4.198 0.008 7 0 "[ . 1 . 2]" 1
966 1 44 VAL HB 1 101 ALA HA 5.500 . 5.500 4.786 4.202 5.518 0.018 9 0 "[ . 1 . 2]" 1
967 1 44 VAL H 1 44 VAL HA 2.910 . 2.910 2.905 2.877 2.931 0.021 6 0 "[ . 1 . 2]" 1
968 1 44 VAL H 1 44 VAL QG 3.290 . 3.290 2.456 2.271 2.919 . 0 0 "[ . 1 . 2]" 1
969 1 44 VAL H 1 45 GLY H 4.470 . 4.470 4.142 4.070 4.188 . 0 0 "[ . 1 . 2]" 1
970 1 44 VAL QG 1 45 GLY H 3.010 . 3.010 2.705 2.578 2.811 . 0 0 "[ . 1 . 2]" 1
971 1 44 VAL QG 1 45 GLY HA3 4.610 . 4.610 3.221 3.111 3.280 . 0 0 "[ . 1 . 2]" 1
972 1 44 VAL QG 1 45 GLY HA2 5.440 . 5.440 3.795 3.699 3.900 . 0 0 "[ . 1 . 2]" 1
973 1 44 VAL QG 1 96 MET H 5.190 . 5.190 5.079 4.924 5.251 0.061 4 0 "[ . 1 . 2]" 1
974 1 44 VAL QG 1 97 GLN HA 3.180 . 3.180 1.960 1.836 2.138 . 0 0 "[ . 1 . 2]" 1
975 1 44 VAL QG 1 97 GLN H 3.860 . 3.860 3.713 3.619 3.815 . 0 0 "[ . 1 . 2]" 1
976 1 44 VAL QG 1 97 GLN QB 4.140 . 4.140 3.102 2.920 3.310 . 0 0 "[ . 1 . 2]" 1
977 1 44 VAL QG 1 97 GLN QG 3.880 . 3.880 3.433 3.376 3.553 . 0 0 "[ . 1 . 2]" 1
978 1 44 VAL QG 1 97 GLN QE 4.310 . 4.310 2.104 1.816 2.557 . 0 0 "[ . 1 . 2]" 1
979 1 44 VAL QG 1 98 LYS H 4.730 . 4.730 4.461 4.322 4.631 . 0 0 "[ . 1 . 2]" 1
980 1 44 VAL QG 1 99 PHE H 4.610 . 4.610 4.166 3.998 4.461 . 0 0 "[ . 1 . 2]" 1
981 1 44 VAL QG 1 99 PHE HB2 5.240 . 5.240 4.223 4.020 4.495 . 0 0 "[ . 1 . 2]" 1
982 1 44 VAL QG 1 99 PHE QD 5.410 . 5.410 4.824 4.669 5.008 . 0 0 "[ . 1 . 2]" 1
983 1 44 VAL QG 1 100 GLY H 3.820 . 3.820 3.059 2.857 3.284 . 0 0 "[ . 1 . 2]" 1
984 1 44 VAL QG 1 100 GLY QA 4.850 . 4.850 3.127 2.983 3.344 . 0 0 "[ . 1 . 2]" 1
985 1 44 VAL QG 1 101 ALA HA 4.390 . 4.390 3.770 3.363 4.015 . 0 0 "[ . 1 . 2]" 1
986 1 44 VAL MG1 1 101 ALA HA 5.470 . 5.470 4.971 3.799 5.489 0.019 13 0 "[ . 1 . 2]" 1
987 1 44 VAL MG2 1 101 ALA HA 5.470 . 5.470 3.935 3.715 4.143 . 0 0 "[ . 1 . 2]" 1
988 1 45 GLY H 1 45 GLY HA3 2.940 . 2.940 2.852 2.843 2.861 . 0 0 "[ . 1 . 2]" 1
989 1 45 GLY H 1 45 GLY HA2 2.700 . 2.700 2.291 2.278 2.302 . 0 0 "[ . 1 . 2]" 1
990 1 45 GLY H 1 46 ARG H 2.880 . 2.880 2.797 2.749 2.855 . 0 0 "[ . 1 . 2]" 1
991 1 45 GLY H 1 96 MET HB3 5.310 . 5.310 4.685 4.476 4.826 . 0 0 "[ . 1 . 2]" 1
992 1 45 GLY H 1 96 MET ME 4.830 . 4.830 4.533 4.393 4.670 . 0 0 "[ . 1 . 2]" 1
993 1 45 GLY H 1 97 GLN HA 5.110 . 5.110 4.945 4.798 5.126 0.016 15 0 "[ . 1 . 2]" 1
994 1 45 GLY H 1 99 PHE HB3 5.500 . 5.500 4.712 4.511 5.069 . 0 0 "[ . 1 . 2]" 1
995 1 45 GLY H 1 99 PHE HB2 4.460 . 4.460 3.814 3.613 4.078 . 0 0 "[ . 1 . 2]" 1
996 1 45 GLY H 1 99 PHE QD 5.500 . 5.500 5.108 4.930 5.289 . 0 0 "[ . 1 . 2]" 1
997 1 45 GLY H 1 100 GLY H 4.860 . 4.860 3.731 3.521 3.892 . 0 0 "[ . 1 . 2]" 1
998 1 45 GLY H 1 101 ALA HA 3.210 . 3.210 3.059 2.885 3.207 . 0 0 "[ . 1 . 2]" 1
999 1 45 GLY H 1 101 ALA MB 4.460 . 4.460 4.398 4.284 4.471 0.011 3 0 "[ . 1 . 2]" 1
1000 1 45 GLY H 1 102 VAL HA 4.210 . 4.210 4.023 3.874 4.195 . 0 0 "[ . 1 . 2]" 1
1001 1 45 GLY H 1 102 VAL H 5.120 . 5.120 4.175 4.000 4.342 . 0 0 "[ . 1 . 2]" 1
1002 1 45 GLY HA3 1 47 ILE H 5.500 . 5.500 5.533 5.510 5.553 0.053 14 0 "[ . 1 . 2]" 1
1003 1 45 GLY HA3 1 96 MET H 5.500 . 5.500 5.648 5.588 5.684 0.184 13 0 "[ . 1 . 2]" 1
1004 1 45 GLY HA3 1 96 MET HB3 5.460 . 5.460 2.136 2.079 2.194 . 0 0 "[ . 1 . 2]" 1
1005 1 45 GLY HA3 1 96 MET HB2 5.500 . 5.500 3.584 3.469 3.711 . 0 0 "[ . 1 . 2]" 1
1006 1 45 GLY HA3 1 96 MET ME 3.830 . 3.830 2.051 1.922 2.204 . 0 0 "[ . 1 . 2]" 1
1007 1 45 GLY HA3 1 99 PHE HB3 5.500 . 5.500 4.857 4.593 5.129 . 0 0 "[ . 1 . 2]" 1
1008 1 45 GLY HA3 1 99 PHE HB2 5.500 . 5.500 3.499 3.316 3.778 . 0 0 "[ . 1 . 2]" 1
1009 1 45 GLY HA3 1 99 PHE QD 4.510 . 4.510 3.438 3.293 3.639 . 0 0 "[ . 1 . 2]" 1
1010 1 45 GLY HA3 1 103 TYR HA 5.500 . 5.500 4.568 4.404 4.769 . 0 0 "[ . 1 . 2]" 1
1011 1 45 GLY HA3 1 103 TYR H 5.500 . 5.500 5.182 4.960 5.350 . 0 0 "[ . 1 . 2]" 1
1012 1 45 GLY HA2 1 46 ARG H 3.270 . 3.270 2.866 2.810 2.950 . 0 0 "[ . 1 . 2]" 1
1013 1 45 GLY HA2 1 96 MET HB3 5.500 . 5.500 3.574 3.430 3.727 . 0 0 "[ . 1 . 2]" 1
1014 1 45 GLY HA2 1 96 MET HB2 5.480 . 5.480 5.140 4.992 5.301 . 0 0 "[ . 1 . 2]" 1
1015 1 45 GLY HA2 1 96 MET ME 3.990 . 3.990 2.946 2.720 3.087 . 0 0 "[ . 1 . 2]" 1
1016 1 45 GLY HA2 1 99 PHE H 5.370 . 5.370 4.644 4.433 4.815 . 0 0 "[ . 1 . 2]" 1
1017 1 45 GLY HA2 1 99 PHE HB3 5.250 . 5.250 3.433 3.196 3.699 . 0 0 "[ . 1 . 2]" 1
1018 1 45 GLY HA2 1 99 PHE HB2 4.910 . 4.910 2.528 2.286 2.707 . 0 0 "[ . 1 . 2]" 1
1019 1 45 GLY HA2 1 99 PHE QD 4.500 . 4.500 3.342 3.212 3.494 . 0 0 "[ . 1 . 2]" 1
1020 1 45 GLY HA2 1 100 GLY H 5.500 . 5.500 4.141 3.991 4.351 . 0 0 "[ . 1 . 2]" 1
1021 1 45 GLY HA2 1 102 VAL H 4.780 . 4.780 4.574 4.399 4.770 . 0 0 "[ . 1 . 2]" 1
1022 1 45 GLY HA2 1 103 TYR HA 5.500 . 5.500 3.217 2.987 3.358 . 0 0 "[ . 1 . 2]" 1
1023 1 45 GLY HA2 1 103 TYR H 4.190 . 4.190 3.815 3.627 3.971 . 0 0 "[ . 1 . 2]" 1
1024 1 46 ARG HA 1 46 ARG HD3 5.330 . 5.330 4.207 3.924 4.791 . 0 0 "[ . 1 . 2]" 1
1025 1 46 ARG HA 1 46 ARG HD2 5.330 . 5.330 4.509 3.131 4.809 . 0 0 "[ . 1 . 2]" 1
1026 1 46 ARG HA 1 46 ARG QD 4.630 . 4.630 3.811 3.040 4.194 . 0 0 "[ . 1 . 2]" 1
1027 1 46 ARG HA 1 46 ARG HG3 4.090 . 4.090 2.663 2.365 3.654 . 0 0 "[ . 1 . 2]" 1
1028 1 46 ARG HA 1 46 ARG HG2 4.090 . 4.090 3.073 2.376 3.403 . 0 0 "[ . 1 . 2]" 1
1029 1 46 ARG HA 1 46 ARG QG 3.510 . 3.510 2.397 2.303 2.449 . 0 0 "[ . 1 . 2]" 1
1030 1 46 ARG HA 1 47 ILE H 2.500 . 2.500 2.053 1.995 2.115 . 0 0 "[ . 1 . 2]" 1
1031 1 46 ARG HA 1 47 ILE MD 5.500 . 5.500 5.002 4.860 5.144 . 0 0 "[ . 1 . 2]" 1
1032 1 46 ARG HA 1 47 ILE HG13 5.500 . 5.500 3.659 3.485 3.799 . 0 0 "[ . 1 . 2]" 1
1033 1 46 ARG HA 1 102 VAL MG1 5.500 . 5.500 4.631 4.409 4.746 . 0 0 "[ . 1 . 2]" 1
1034 1 46 ARG HE 1 102 VAL MG1 4.460 . 4.460 3.109 2.428 4.478 0.018 11 0 "[ . 1 . 2]" 1
1035 1 46 ARG H 1 46 ARG HB3 3.020 . 3.020 2.430 2.325 2.590 . 0 0 "[ . 1 . 2]" 1
1036 1 46 ARG H 1 46 ARG HB2 2.660 . 2.660 2.472 2.297 2.610 . 0 0 "[ . 1 . 2]" 1
1037 1 46 ARG H 1 46 ARG QD 4.680 . 4.680 4.620 4.446 4.745 0.065 3 0 "[ . 1 . 2]" 1
1038 1 46 ARG H 1 46 ARG QG 4.370 . 4.370 3.888 3.843 3.941 . 0 0 "[ . 1 . 2]" 1
1039 1 46 ARG H 1 47 ILE H 4.620 . 4.620 4.349 4.310 4.385 . 0 0 "[ . 1 . 2]" 1
1040 1 46 ARG H 1 101 ALA HA 4.510 . 4.510 4.062 3.993 4.129 . 0 0 "[ . 1 . 2]" 1
1041 1 46 ARG H 1 102 VAL HA 2.650 . 2.650 2.146 1.958 2.250 . 0 0 "[ . 1 . 2]" 1
1042 1 46 ARG H 1 102 VAL MG1 4.210 . 4.210 3.733 3.424 3.876 . 0 0 "[ . 1 . 2]" 1
1043 1 46 ARG H 1 103 TYR H 4.380 . 4.380 3.402 3.241 3.506 . 0 0 "[ . 1 . 2]" 1
1044 1 46 ARG H 1 103 TYR HB3 5.300 . 5.300 4.728 4.507 4.995 . 0 0 "[ . 1 . 2]" 1
1045 1 46 ARG H 1 103 TYR HB2 4.610 . 4.610 4.476 4.253 4.634 0.024 3 0 "[ . 1 . 2]" 1
1046 1 46 ARG HB3 1 46 ARG HE 3.510 . 3.510 2.634 2.210 3.202 . 0 0 "[ . 1 . 2]" 1
1047 1 46 ARG HB3 1 47 ILE H 4.440 . 4.440 4.167 4.062 4.246 . 0 0 "[ . 1 . 2]" 1
1048 1 46 ARG HB3 1 48 THR H 5.500 . 5.500 5.483 5.243 5.575 0.075 7 0 "[ . 1 . 2]" 1
1049 1 46 ARG HB2 1 46 ARG HE 3.710 . 3.710 3.272 2.232 3.742 0.032 16 0 "[ . 1 . 2]" 1
1050 1 46 ARG HB2 1 102 VAL HA 4.210 . 4.210 3.591 3.200 3.839 . 0 0 "[ . 1 . 2]" 1
1051 1 46 ARG HB2 1 102 VAL MG1 5.050 . 5.050 3.972 3.506 4.270 . 0 0 "[ . 1 . 2]" 1
1052 1 46 ARG QD 1 47 ILE H 5.340 . 5.340 4.481 2.686 4.994 . 0 0 "[ . 1 . 2]" 1
1053 1 46 ARG HE 1 46 ARG HG3 4.100 . 4.100 3.513 2.427 3.925 . 0 0 "[ . 1 . 2]" 1
1054 1 46 ARG HE 1 46 ARG HG2 4.100 . 4.100 3.059 2.429 3.619 . 0 0 "[ . 1 . 2]" 1
1055 1 46 ARG HE 1 46 ARG QG 3.410 . 3.410 2.746 2.386 3.275 . 0 0 "[ . 1 . 2]" 1
1056 1 46 ARG QG 1 47 ILE H 3.210 . 3.210 2.926 2.694 3.257 0.047 15 0 "[ . 1 . 2]" 1
1057 1 46 ARG QG 1 48 THR HA 5.340 . 5.340 4.164 3.539 5.420 0.080 9 0 "[ . 1 . 2]" 1
1058 1 46 ARG QG 1 102 VAL HA 4.610 . 4.610 4.212 3.998 4.541 . 0 0 "[ . 1 . 2]" 1
1059 1 47 ILE HA 1 47 ILE MD 4.510 . 4.510 3.831 3.801 3.846 . 0 0 "[ . 1 . 2]" 1
1060 1 47 ILE HA 1 47 ILE HG13 4.160 . 4.160 3.033 2.977 3.099 . 0 0 "[ . 1 . 2]" 1
1061 1 47 ILE HA 1 47 ILE HG12 4.000 . 4.000 2.535 2.486 2.563 . 0 0 "[ . 1 . 2]" 1
1062 1 47 ILE HA 1 47 ILE MG 3.600 . 3.600 2.369 2.337 2.400 . 0 0 "[ . 1 . 2]" 1
1063 1 47 ILE HA 1 48 THR H 2.670 . 2.670 1.998 1.952 2.056 . 0 0 "[ . 1 . 2]" 1
1064 1 47 ILE HA 1 48 THR MG 4.560 . 4.560 3.505 3.238 3.722 . 0 0 "[ . 1 . 2]" 1
1065 1 47 ILE HA 1 49 THR H 4.390 . 4.390 4.147 4.038 4.237 . 0 0 "[ . 1 . 2]" 1
1066 1 47 ILE HA 1 96 MET ME 5.280 . 5.280 4.215 3.946 4.468 . 0 0 "[ . 1 . 2]" 1
1067 1 47 ILE HA 1 103 TYR H 4.070 . 4.070 3.351 3.239 3.455 . 0 0 "[ . 1 . 2]" 1
1068 1 47 ILE HA 1 103 TYR HB3 3.990 . 3.990 1.920 1.848 1.973 . 0 0 "[ . 1 . 2]" 1
1069 1 47 ILE HA 1 103 TYR HB2 4.410 . 4.410 3.227 3.051 3.367 . 0 0 "[ . 1 . 2]" 1
1070 1 47 ILE HA 1 103 TYR QD 5.090 . 5.090 2.201 2.022 2.408 . 0 0 "[ . 1 . 2]" 1
1071 1 47 ILE HA 1 103 TYR QE 5.360 . 5.360 4.523 4.319 4.737 . 0 0 "[ . 1 . 2]" 1
1072 1 47 ILE HB 1 47 ILE MD 3.390 . 3.390 2.437 2.418 2.468 . 0 0 "[ . 1 . 2]" 1
1073 1 47 ILE HB 1 48 THR H 4.380 . 4.380 4.216 4.166 4.251 . 0 0 "[ . 1 . 2]" 1
1074 1 47 ILE HB 1 53 PHE H 4.880 . 4.880 4.998 4.965 5.018 0.138 18 0 "[ . 1 . 2]" 1
1075 1 47 ILE HB 1 53 PHE QE 5.500 . 5.500 5.151 4.936 5.437 . 0 0 "[ . 1 . 2]" 1
1076 1 47 ILE H 1 47 ILE MD 3.760 . 3.760 3.650 3.608 3.697 . 0 0 "[ . 1 . 2]" 1
1077 1 47 ILE H 1 47 ILE HG13 3.500 . 3.500 2.186 2.123 2.249 . 0 0 "[ . 1 . 2]" 1
1078 1 47 ILE H 1 47 ILE HG12 3.500 . 3.500 3.429 3.369 3.503 0.003 9 0 "[ . 1 . 2]" 1
1079 1 47 ILE H 1 47 ILE MG 4.010 . 4.010 3.800 3.772 3.820 . 0 0 "[ . 1 . 2]" 1
1080 1 47 ILE H 1 48 THR HA 5.500 . 5.500 5.442 5.327 5.543 0.043 7 0 "[ . 1 . 2]" 1
1081 1 47 ILE H 1 48 THR H 5.020 . 5.020 4.383 4.335 4.422 . 0 0 "[ . 1 . 2]" 1
1082 1 47 ILE H 1 103 TYR H 5.500 . 5.500 4.579 4.462 4.660 . 0 0 "[ . 1 . 2]" 1
1083 1 47 ILE H 1 103 TYR HB3 5.170 . 5.170 4.027 3.853 4.170 . 0 0 "[ . 1 . 2]" 1
1084 1 47 ILE H 1 103 TYR HB2 5.070 . 5.070 4.434 4.273 4.595 . 0 0 "[ . 1 . 2]" 1
1085 1 47 ILE MD 1 49 THR H 5.500 . 5.500 5.498 5.412 5.550 0.050 11 0 "[ . 1 . 2]" 1
1086 1 47 ILE MD 1 53 PHE HA 4.290 . 4.290 2.028 1.968 2.074 . 0 0 "[ . 1 . 2]" 1
1087 1 47 ILE MD 1 53 PHE H 4.740 . 4.740 4.136 4.064 4.179 . 0 0 "[ . 1 . 2]" 1
1088 1 47 ILE MD 1 53 PHE HB3 5.500 . 5.500 4.129 3.985 4.222 . 0 0 "[ . 1 . 2]" 1
1089 1 47 ILE MD 1 53 PHE HB2 5.140 . 5.140 2.953 2.755 3.093 . 0 0 "[ . 1 . 2]" 1
1090 1 47 ILE MD 1 53 PHE QD 3.360 . 3.360 1.931 1.839 1.987 . 0 0 "[ . 1 . 2]" 1
1091 1 47 ILE MD 1 53 PHE QE 3.640 . 3.640 3.166 2.996 3.317 . 0 0 "[ . 1 . 2]" 1
1092 1 47 ILE MD 1 56 LEU H 5.090 . 5.090 4.904 4.747 5.045 . 0 0 "[ . 1 . 2]" 1
1093 1 47 ILE MD 1 56 LEU HB3 3.870 . 3.870 3.548 3.368 3.869 . 0 0 "[ . 1 . 2]" 1
1094 1 47 ILE MD 1 56 LEU QD 3.560 . 3.560 2.864 2.695 3.138 . 0 0 "[ . 1 . 2]" 1
1095 1 47 ILE MD 1 57 ALA H 4.770 . 4.770 4.665 4.514 4.793 0.023 7 0 "[ . 1 . 2]" 1
1096 1 47 ILE MD 1 96 MET ME 3.720 . 3.720 2.817 2.527 3.130 . 0 0 "[ . 1 . 2]" 1
1097 1 47 ILE HG13 1 56 LEU QD 5.440 . 5.440 4.253 3.988 4.563 . 0 0 "[ . 1 . 2]" 1
1098 1 47 ILE HG13 1 96 MET ME 4.300 . 4.300 2.798 2.500 3.190 . 0 0 "[ . 1 . 2]" 1
1099 1 47 ILE HG13 1 103 TYR HB3 5.500 . 5.500 3.906 3.632 4.090 . 0 0 "[ . 1 . 2]" 1
1100 1 47 ILE HG13 1 103 TYR HB2 5.500 . 5.500 3.807 3.677 4.042 . 0 0 "[ . 1 . 2]" 1
1101 1 47 ILE HG13 1 103 TYR QD 5.500 . 5.500 3.782 3.422 3.951 . 0 0 "[ . 1 . 2]" 1
1102 1 47 ILE HG13 1 103 TYR QE 5.500 . 5.500 5.462 5.182 5.567 0.067 3 0 "[ . 1 . 2]" 1
1103 1 47 ILE HG12 1 48 THR H 4.880 . 4.880 4.337 4.239 4.446 . 0 0 "[ . 1 . 2]" 1
1104 1 47 ILE HG12 1 53 PHE HA 5.500 . 5.500 3.928 3.840 4.005 . 0 0 "[ . 1 . 2]" 1
1105 1 47 ILE HG12 1 96 MET ME 3.860 . 3.860 2.651 2.332 3.010 . 0 0 "[ . 1 . 2]" 1
1106 1 47 ILE HG12 1 103 TYR H 5.500 . 5.500 4.984 4.756 5.177 . 0 0 "[ . 1 . 2]" 1
1107 1 47 ILE HG12 1 103 TYR HB3 5.500 . 5.500 3.056 2.871 3.233 . 0 0 "[ . 1 . 2]" 1
1108 1 47 ILE HG12 1 103 TYR HB2 5.500 . 5.500 3.061 2.925 3.295 . 0 0 "[ . 1 . 2]" 1
1109 1 47 ILE HG12 1 103 TYR QD 5.500 . 5.500 2.267 1.916 2.467 . 0 0 "[ . 1 . 2]" 1
1110 1 47 ILE HG12 1 103 TYR QE 4.340 . 4.340 3.855 3.568 3.969 . 0 0 "[ . 1 . 2]" 1
1111 1 47 ILE MD 1 47 ILE MG 3.290 . 3.290 1.934 1.900 1.964 . 0 0 "[ . 1 . 2]" 1
1112 1 47 ILE HG12 1 47 ILE MG 3.680 . 3.680 2.458 2.427 2.508 . 0 0 "[ . 1 . 2]" 1
1113 1 47 ILE MG 1 48 THR H 3.280 . 3.280 2.752 2.622 2.834 . 0 0 "[ . 1 . 2]" 1
1114 1 47 ILE MG 1 49 THR H 2.780 . 2.780 2.516 2.386 2.614 . 0 0 "[ . 1 . 2]" 1
1115 1 47 ILE MG 1 52 ASP H 3.880 . 3.880 3.827 3.766 3.892 0.012 9 0 "[ . 1 . 2]" 1
1116 1 47 ILE MG 1 52 ASP HB3 3.830 . 3.830 2.534 2.380 2.835 . 0 0 "[ . 1 . 2]" 1
1117 1 47 ILE MG 1 52 ASP HB2 3.830 . 3.830 2.544 2.291 2.702 . 0 0 "[ . 1 . 2]" 1
1118 1 47 ILE MG 1 52 ASP QB 3.350 . 3.350 2.256 2.125 2.461 . 0 0 "[ . 1 . 2]" 1
1119 1 47 ILE MG 1 53 PHE HA 3.400 . 3.400 2.059 1.967 2.114 . 0 0 "[ . 1 . 2]" 1
1120 1 47 ILE MG 1 53 PHE H 2.980 . 2.980 2.554 2.532 2.581 . 0 0 "[ . 1 . 2]" 1
1121 1 47 ILE MG 1 53 PHE HB3 3.950 . 3.950 3.235 3.177 3.281 . 0 0 "[ . 1 . 2]" 1
1122 1 47 ILE MG 1 53 PHE HB2 3.570 . 3.570 1.923 1.882 1.960 . 0 0 "[ . 1 . 2]" 1
1123 1 47 ILE MG 1 53 PHE QD 3.270 . 3.270 2.772 2.635 2.974 . 0 0 "[ . 1 . 2]" 1
1124 1 47 ILE MG 1 54 LYS H 4.580 . 4.580 4.335 4.267 4.392 . 0 0 "[ . 1 . 2]" 1
1125 1 47 ILE MG 1 103 TYR QD 4.740 . 4.740 1.831 1.809 1.848 . 0 0 "[ . 1 . 2]" 1
1126 1 47 ILE MG 1 103 TYR QE 3.530 . 3.530 2.782 2.563 3.015 . 0 0 "[ . 1 . 2]" 1
1127 1 48 THR HA 1 48 THR MG 3.160 . 3.160 2.166 2.088 2.243 . 0 0 "[ . 1 . 2]" 1
1128 1 48 THR HB 1 49 THR H 3.830 . 3.830 3.072 2.850 3.407 . 0 0 "[ . 1 . 2]" 1
1129 1 48 THR H 1 48 THR HB 3.960 . 3.960 3.413 3.326 3.511 . 0 0 "[ . 1 . 2]" 1
1130 1 48 THR H 1 48 THR MG 2.820 . 2.820 2.077 1.874 2.288 . 0 0 "[ . 1 . 2]" 1
1131 1 48 THR H 1 49 THR H 3.330 . 3.330 2.794 2.720 2.887 . 0 0 "[ . 1 . 2]" 1
1132 1 48 THR H 1 52 ASP HB3 4.900 . 4.900 3.949 3.823 4.184 . 0 0 "[ . 1 . 2]" 1
1133 1 48 THR H 1 52 ASP HB2 4.900 . 4.900 3.881 3.779 4.036 . 0 0 "[ . 1 . 2]" 1
1134 1 48 THR H 1 52 ASP QB 4.200 . 4.200 3.487 3.401 3.657 . 0 0 "[ . 1 . 2]" 1
1135 1 48 THR H 1 102 VAL HA 5.500 . 5.500 5.521 5.395 5.562 0.062 2 0 "[ . 1 . 2]" 1
1136 1 48 THR H 1 102 VAL MG1 4.380 . 4.380 3.670 3.395 4.426 0.046 1 0 "[ . 1 . 2]" 1
1137 1 48 THR H 1 103 TYR H 5.350 . 5.350 3.779 3.645 3.869 . 0 0 "[ . 1 . 2]" 1
1138 1 48 THR H 1 103 TYR HB3 4.350 . 4.350 2.966 2.793 3.185 . 0 0 "[ . 1 . 2]" 1
1139 1 48 THR H 1 103 TYR HB2 5.200 . 5.200 4.677 4.493 4.914 . 0 0 "[ . 1 . 2]" 1
1140 1 48 THR H 1 103 TYR QD 5.080 . 5.080 3.059 2.876 3.308 . 0 0 "[ . 1 . 2]" 1
1141 1 48 THR MG 1 49 THR H 3.490 . 3.490 3.722 3.679 3.772 0.282 6 0 "[ . 1 . 2]" 1
1142 1 48 THR MG 1 102 VAL HB 4.960 . 4.960 3.676 2.686 4.085 . 0 0 "[ . 1 . 2]" 1
1143 1 48 THR MG 1 102 VAL MG1 3.150 . 3.150 2.173 1.977 2.853 . 0 0 "[ . 1 . 2]" 1
1144 1 48 THR MG 1 103 TYR H 3.740 . 3.740 3.251 3.039 3.518 . 0 0 "[ . 1 . 2]" 1
1145 1 49 THR HA 1 49 THR MG 3.200 . 3.200 2.216 2.132 2.284 . 0 0 "[ . 1 . 2]" 1
1146 1 49 THR HA 1 52 ASP H 5.300 . 5.300 4.451 4.226 4.771 . 0 0 "[ . 1 . 2]" 1
1147 1 49 THR HB 1 51 GLU H 2.930 . 2.930 2.915 2.607 3.007 0.077 1 0 "[ . 1 . 2]" 1
1148 1 49 THR HB 1 51 GLU QB 5.340 . 5.340 3.526 2.732 4.570 . 0 0 "[ . 1 . 2]" 1
1149 1 49 THR HB 1 53 PHE H 5.260 . 5.260 4.249 3.857 4.716 . 0 0 "[ . 1 . 2]" 1
1150 1 49 THR H 1 49 THR HB 3.590 . 3.590 3.070 2.840 3.602 0.012 5 0 "[ . 1 . 2]" 1
1151 1 49 THR H 1 50 THR HA 5.190 . 5.190 5.153 5.076 5.202 0.012 13 0 "[ . 1 . 2]" 1
1152 1 49 THR H 1 50 THR MG 5.500 . 5.500 5.600 5.560 5.634 0.134 14 0 "[ . 1 . 2]" 1
1153 1 49 THR H 1 51 GLU H 5.280 . 5.280 5.195 5.088 5.317 0.037 9 0 "[ . 1 . 2]" 1
1154 1 49 THR H 1 52 ASP H 3.720 . 3.720 3.543 3.431 3.686 . 0 0 "[ . 1 . 2]" 1
1155 1 49 THR H 1 52 ASP QB 3.900 . 3.900 2.100 1.978 2.241 . 0 0 "[ . 1 . 2]" 1
1156 1 49 THR H 1 53 PHE HA 5.500 . 5.500 5.630 5.602 5.666 0.166 18 0 "[ . 1 . 2]" 1
1157 1 49 THR H 1 53 PHE H 3.900 . 3.900 3.899 3.839 3.925 0.025 1 0 "[ . 1 . 2]" 1
1158 1 49 THR H 1 53 PHE HB2 4.900 . 4.900 4.857 4.721 4.950 0.050 7 0 "[ . 1 . 2]" 1
1159 1 49 THR MG 1 50 THR MG 3.000 . 3.000 2.303 1.980 3.016 0.016 5 0 "[ . 1 . 2]" 1
1160 1 50 THR HA 1 50 THR MG 3.490 . 3.490 3.196 3.170 3.213 . 0 0 "[ . 1 . 2]" 1
1161 1 50 THR HA 1 53 PHE H 3.210 . 3.210 3.228 3.186 3.251 0.041 19 0 "[ . 1 . 2]" 1
1162 1 50 THR HA 1 53 PHE HB3 3.570 . 3.570 2.263 2.197 2.340 . 0 0 "[ . 1 . 2]" 1
1163 1 50 THR HA 1 53 PHE HB2 3.880 . 3.880 2.964 2.792 3.196 . 0 0 "[ . 1 . 2]" 1
1164 1 50 THR HA 1 53 PHE QD 5.500 . 5.500 3.892 3.800 4.003 . 0 0 "[ . 1 . 2]" 1
1165 1 50 THR HA 1 54 LYS H 3.960 . 3.960 3.889 3.796 3.975 0.015 7 0 "[ . 1 . 2]" 1
1166 1 50 THR HB 1 51 GLU H 3.720 . 3.720 3.805 3.757 3.865 0.145 6 0 "[ . 1 . 2]" 1
1167 1 50 THR HB 1 52 ASP H 5.500 . 5.500 5.605 5.575 5.632 0.132 13 0 "[ . 1 . 2]" 1
1168 1 50 THR HB 1 53 PHE H 5.500 . 5.500 5.382 5.327 5.428 . 0 0 "[ . 1 . 2]" 1
1169 1 50 THR HB 1 53 PHE HB3 5.500 . 5.500 4.537 4.430 4.706 . 0 0 "[ . 1 . 2]" 1
1170 1 50 THR MG 1 51 GLU HA 4.050 . 4.050 3.360 3.269 3.468 . 0 0 "[ . 1 . 2]" 1
1171 1 50 THR MG 1 51 GLU H 3.370 . 3.370 1.960 1.923 2.054 . 0 0 "[ . 1 . 2]" 1
1172 1 50 THR MG 1 52 ASP H 4.250 . 4.250 4.212 4.170 4.269 0.019 6 0 "[ . 1 . 2]" 1
1173 1 50 THR MG 1 53 PHE H 4.970 . 4.970 4.833 4.797 4.882 . 0 0 "[ . 1 . 2]" 1
1174 1 50 THR MG 1 53 PHE QD 5.500 . 5.500 5.528 5.484 5.584 0.084 17 0 "[ . 1 . 2]" 1
1175 1 50 THR MG 1 54 LYS H 5.070 . 5.070 4.943 4.828 5.060 . 0 0 "[ . 1 . 2]" 1
1176 1 51 GLU HA 1 51 GLU QG 3.600 . 3.600 2.992 2.403 3.494 . 0 0 "[ . 1 . 2]" 1
1177 1 51 GLU HA 1 54 LYS HB2 4.730 . 4.730 2.591 2.392 2.769 . 0 0 "[ . 1 . 2]" 1
1178 1 51 GLU HA 1 54 LYS QD 4.200 . 4.200 2.565 2.151 3.109 . 0 0 "[ . 1 . 2]" 1
1179 1 51 GLU HA 1 54 LYS QG 5.340 . 5.340 3.587 3.148 4.040 . 0 0 "[ . 1 . 2]" 1
1180 1 51 GLU H 1 51 GLU HA 2.890 . 2.890 2.820 2.796 2.843 . 0 0 "[ . 1 . 2]" 1
1181 1 51 GLU H 1 51 GLU QB 2.620 . 2.620 2.547 2.220 2.706 0.086 5 0 "[ . 1 . 2]" 1
1182 1 51 GLU H 1 51 GLU HG3 3.730 . 3.730 3.053 1.924 3.807 0.077 9 0 "[ . 1 . 2]" 1
1183 1 51 GLU H 1 51 GLU HG2 3.730 . 3.730 2.781 2.059 3.756 0.026 6 0 "[ . 1 . 2]" 1
1184 1 51 GLU H 1 51 GLU QG 3.240 . 3.240 2.324 1.909 3.357 0.117 6 0 "[ . 1 . 2]" 1
1185 1 51 GLU H 1 52 ASP H 3.050 . 3.050 2.769 2.724 2.826 . 0 0 "[ . 1 . 2]" 1
1186 1 51 GLU H 1 52 ASP QB 4.910 . 4.910 4.514 4.444 4.650 . 0 0 "[ . 1 . 2]" 1
1187 1 51 GLU H 1 53 PHE H 4.730 . 4.730 4.051 4.000 4.118 . 0 0 "[ . 1 . 2]" 1
1188 1 51 GLU H 1 54 LYS H 5.390 . 5.390 4.656 4.602 4.723 . 0 0 "[ . 1 . 2]" 1
1189 1 51 GLU H 1 54 LYS QD 5.500 . 5.500 4.292 3.838 4.617 . 0 0 "[ . 1 . 2]" 1
1190 1 51 GLU QG 1 52 ASP H 4.800 . 4.800 3.342 2.176 4.602 . 0 0 "[ . 1 . 2]" 1
1191 1 52 ASP HA 1 54 LYS H 4.800 . 4.800 4.442 4.368 4.508 . 0 0 "[ . 1 . 2]" 1
1192 1 52 ASP HA 1 55 HIS H 3.360 . 3.360 3.292 3.074 3.383 0.023 20 0 "[ . 1 . 2]" 1
1193 1 52 ASP HA 1 55 HIS HB3 3.770 . 3.770 2.464 2.214 2.651 . 0 0 "[ . 1 . 2]" 1
1194 1 52 ASP HA 1 55 HIS HB2 4.070 . 4.070 3.232 2.960 3.377 . 0 0 "[ . 1 . 2]" 1
1195 1 52 ASP HA 1 56 LEU H 4.620 . 4.620 3.817 3.713 3.962 . 0 0 "[ . 1 . 2]" 1
1196 1 52 ASP HA 1 103 TYR QD 5.500 . 5.500 5.020 4.802 5.505 0.005 7 0 "[ . 1 . 2]" 1
1197 1 52 ASP HA 1 103 TYR QE 3.840 . 3.840 3.129 2.925 3.565 . 0 0 "[ . 1 . 2]" 1
1198 1 52 ASP H 1 52 ASP QB 3.390 . 3.390 2.111 2.059 2.178 . 0 0 "[ . 1 . 2]" 1
1199 1 52 ASP H 1 53 PHE H 2.770 . 2.770 2.362 2.316 2.398 . 0 0 "[ . 1 . 2]" 1
1200 1 52 ASP H 1 53 PHE HB3 4.310 . 4.310 4.321 4.236 4.344 0.034 8 0 "[ . 1 . 2]" 1
1201 1 52 ASP H 1 54 LYS H 4.250 . 4.250 3.992 3.938 4.049 . 0 0 "[ . 1 . 2]" 1
1202 1 52 ASP H 1 55 HIS HB2 5.270 . 5.270 5.265 5.175 5.316 0.046 20 0 "[ . 1 . 2]" 1
1203 1 52 ASP H 1 103 TYR QE 5.360 . 5.360 4.747 4.609 4.900 . 0 0 "[ . 1 . 2]" 1
1204 1 52 ASP HB3 1 53 PHE H 3.320 . 3.320 3.399 3.349 3.454 0.134 12 0 "[ . 1 . 2]" 1
1205 1 52 ASP HB3 1 103 TYR QD 4.650 . 4.650 2.755 2.542 3.393 . 0 0 "[ . 1 . 2]" 1
1206 1 52 ASP HB2 1 53 PHE H 3.320 . 3.320 2.565 2.401 2.731 . 0 0 "[ . 1 . 2]" 1
1207 1 52 ASP HB2 1 103 TYR QD 4.650 . 4.650 3.790 3.528 4.160 . 0 0 "[ . 1 . 2]" 1
1208 1 52 ASP QB 1 53 PHE H 2.820 . 2.820 2.492 2.357 2.616 . 0 0 "[ . 1 . 2]" 1
1209 1 52 ASP QB 1 54 LYS H 5.340 . 5.340 4.649 4.583 4.750 . 0 0 "[ . 1 . 2]" 1
1210 1 52 ASP QB 1 103 TYR QD 4.030 . 4.030 2.690 2.503 3.250 . 0 0 "[ . 1 . 2]" 1
1211 1 52 ASP QB 1 103 TYR QE 2.850 . 2.850 1.944 1.812 2.148 . 0 0 "[ . 1 . 2]" 1
1212 1 53 PHE HA 1 53 PHE QD 3.500 . 3.500 3.038 2.953 3.128 . 0 0 "[ . 1 . 2]" 1
1213 1 53 PHE HA 1 53 PHE QE 4.930 . 4.930 4.782 4.727 4.856 . 0 0 "[ . 1 . 2]" 1
1214 1 53 PHE HA 1 56 LEU HB3 4.710 . 4.710 3.679 3.509 3.920 . 0 0 "[ . 1 . 2]" 1
1215 1 53 PHE HA 1 56 LEU HB2 4.830 . 4.830 3.618 3.291 4.096 . 0 0 "[ . 1 . 2]" 1
1216 1 53 PHE HA 1 56 LEU QD 5.440 . 5.440 4.093 3.959 4.240 . 0 0 "[ . 1 . 2]" 1
1217 1 53 PHE HA 1 57 ALA H 4.500 . 4.500 3.974 3.878 4.069 . 0 0 "[ . 1 . 2]" 1
1218 1 53 PHE HA 1 103 TYR QE 4.200 . 4.200 3.482 3.040 3.685 . 0 0 "[ . 1 . 2]" 1
1219 1 53 PHE H 1 53 PHE HA 2.940 . 2.940 2.771 2.753 2.803 . 0 0 "[ . 1 . 2]" 1
1220 1 53 PHE H 1 53 PHE HB3 2.640 . 2.640 2.348 2.293 2.384 . 0 0 "[ . 1 . 2]" 1
1221 1 53 PHE H 1 53 PHE HB2 2.690 . 2.690 2.530 2.486 2.605 . 0 0 "[ . 1 . 2]" 1
1222 1 53 PHE H 1 54 LYS H 3.140 . 3.140 2.666 2.639 2.694 . 0 0 "[ . 1 . 2]" 1
1223 1 53 PHE H 1 54 LYS QD 5.500 . 5.500 5.384 5.033 5.552 0.052 8 0 "[ . 1 . 2]" 1
1224 1 53 PHE H 1 55 HIS H 4.870 . 4.870 4.027 3.960 4.079 . 0 0 "[ . 1 . 2]" 1
1225 1 53 PHE H 1 56 LEU H 5.390 . 5.390 4.743 4.656 4.858 . 0 0 "[ . 1 . 2]" 1
1226 1 53 PHE HZ 1 57 ALA MB 5.500 . 5.500 4.329 4.181 4.456 . 0 0 "[ . 1 . 2]" 1
1227 1 53 PHE HB3 1 54 LYS H 2.820 . 2.820 2.333 2.226 2.413 . 0 0 "[ . 1 . 2]" 1
1228 1 53 PHE HB3 1 55 HIS H 5.140 . 5.140 4.829 4.763 4.879 . 0 0 "[ . 1 . 2]" 1
1229 1 53 PHE HB2 1 54 LYS H 3.980 . 3.980 3.732 3.652 3.795 . 0 0 "[ . 1 . 2]" 1
1230 1 53 PHE QD 1 54 LYS HA 4.650 . 4.650 3.036 2.903 3.219 . 0 0 "[ . 1 . 2]" 1
1231 1 53 PHE QD 1 54 LYS H 3.740 . 3.740 2.899 2.741 3.048 . 0 0 "[ . 1 . 2]" 1
1232 1 53 PHE QD 1 54 LYS QD 5.500 . 5.500 4.209 4.045 4.338 . 0 0 "[ . 1 . 2]" 1
1233 1 53 PHE QD 1 54 LYS HG3 4.300 . 4.300 2.476 2.233 2.691 . 0 0 "[ . 1 . 2]" 1
1234 1 53 PHE QD 1 54 LYS HG2 4.300 . 4.300 3.129 2.813 3.531 . 0 0 "[ . 1 . 2]" 1
1235 1 53 PHE QD 1 54 LYS QG 3.620 . 3.620 2.379 2.173 2.508 . 0 0 "[ . 1 . 2]" 1
1236 1 53 PHE QD 1 57 ALA H 5.500 . 5.500 4.855 4.763 4.947 . 0 0 "[ . 1 . 2]" 1
1237 1 53 PHE QD 1 57 ALA MB 5.500 . 5.500 3.824 3.675 4.034 . 0 0 "[ . 1 . 2]" 1
1238 1 53 PHE QE 1 54 LYS QD 5.480 . 5.480 5.508 5.412 5.571 0.091 9 0 "[ . 1 . 2]" 1
1239 1 53 PHE QE 1 57 ALA H 5.500 . 5.500 5.573 5.540 5.615 0.115 13 0 "[ . 1 . 2]" 1
1240 1 53 PHE QE 1 57 ALA MB 5.500 . 5.500 3.636 3.535 3.812 . 0 0 "[ . 1 . 2]" 1
1241 1 54 LYS HA 1 54 LYS QD 4.260 . 4.260 4.115 3.901 4.223 . 0 0 "[ . 1 . 2]" 1
1242 1 54 LYS HA 1 54 LYS QE 5.500 . 5.500 4.311 3.841 4.942 . 0 0 "[ . 1 . 2]" 1
1243 1 54 LYS HA 1 54 LYS HG3 3.630 . 3.630 2.896 2.715 3.042 . 0 0 "[ . 1 . 2]" 1
1244 1 54 LYS HA 1 54 LYS HG2 3.630 . 3.630 2.532 2.449 2.644 . 0 0 "[ . 1 . 2]" 1
1245 1 54 LYS HA 1 57 ALA H 3.680 . 3.680 3.533 3.394 3.636 . 0 0 "[ . 1 . 2]" 1
1246 1 54 LYS HA 1 57 ALA MB 3.460 . 3.460 2.659 2.543 2.763 . 0 0 "[ . 1 . 2]" 1
1247 1 54 LYS HA 1 58 ARG H 4.330 . 4.330 3.960 3.824 4.098 . 0 0 "[ . 1 . 2]" 1
1248 1 54 LYS H 1 54 LYS HB2 2.500 . 2.500 2.411 2.314 2.498 . 0 0 "[ . 1 . 2]" 1
1249 1 54 LYS H 1 54 LYS QG 2.630 . 2.630 2.263 2.109 2.384 . 0 0 "[ . 1 . 2]" 1
1250 1 54 LYS H 1 55 HIS HA 5.500 . 5.500 5.347 5.303 5.402 . 0 0 "[ . 1 . 2]" 1
1251 1 54 LYS H 1 55 HIS H 2.880 . 2.880 2.685 2.640 2.751 . 0 0 "[ . 1 . 2]" 1
1252 1 54 LYS H 1 56 LEU H 4.450 . 4.450 4.229 4.158 4.292 . 0 0 "[ . 1 . 2]" 1
1253 1 54 LYS H 1 57 ALA MB 5.020 . 5.020 4.618 4.519 4.701 . 0 0 "[ . 1 . 2]" 1
1254 1 54 LYS HB3 1 54 LYS QD 3.090 . 3.090 2.868 2.355 3.121 0.031 2 0 "[ . 1 . 2]" 1
1255 1 54 LYS HB3 1 54 LYS QE 5.130 . 5.130 2.783 2.029 4.211 . 0 0 "[ . 1 . 2]" 1
1256 1 54 LYS HB3 1 57 ALA MB 5.500 . 5.500 4.521 4.384 4.739 . 0 0 "[ . 1 . 2]" 1
1257 1 54 LYS HB2 1 54 LYS QD 2.570 . 2.570 2.417 2.276 2.503 . 0 0 "[ . 1 . 2]" 1
1258 1 54 LYS HB2 1 54 LYS QE 4.510 . 4.510 3.293 2.555 4.177 . 0 0 "[ . 1 . 2]" 1
1259 1 54 LYS HB2 1 54 LYS QG 2.590 . 2.590 2.379 2.340 2.432 . 0 0 "[ . 1 . 2]" 1
1260 1 54 LYS HB2 1 55 HIS H 2.820 . 2.820 2.691 2.605 2.781 . 0 0 "[ . 1 . 2]" 1
1261 1 54 LYS QE 1 54 LYS QG 3.430 . 3.430 2.380 2.103 2.812 . 0 0 "[ . 1 . 2]" 1
1262 1 54 LYS QG 1 57 ALA MB 5.340 . 5.340 4.167 3.940 4.303 . 0 0 "[ . 1 . 2]" 1
1263 1 55 HIS HA 1 57 ALA H 5.370 . 5.370 4.674 4.566 4.790 . 0 0 "[ . 1 . 2]" 1
1264 1 55 HIS HA 1 58 ARG H 4.220 . 4.220 3.774 3.612 3.939 . 0 0 "[ . 1 . 2]" 1
1265 1 55 HIS HA 1 58 ARG QB 4.040 . 4.040 3.333 2.699 4.122 0.082 9 0 "[ . 1 . 2]" 1
1266 1 55 HIS HA 1 58 ARG QD 4.920 . 4.920 3.210 2.375 4.999 0.079 12 0 "[ . 1 . 2]" 1
1267 1 55 HIS HA 1 59 LYS H 5.230 . 5.230 4.169 4.004 4.313 . 0 0 "[ . 1 . 2]" 1
1268 1 55 HIS H 1 55 HIS HA 2.870 . 2.870 2.864 2.854 2.873 0.003 19 0 "[ . 1 . 2]" 1
1269 1 55 HIS H 1 55 HIS HB3 2.660 . 2.660 2.388 2.257 2.463 . 0 0 "[ . 1 . 2]" 1
1270 1 55 HIS H 1 55 HIS HB2 2.550 . 2.550 2.514 2.470 2.560 0.010 9 0 "[ . 1 . 2]" 1
1271 1 55 HIS H 1 56 LEU H 3.060 . 3.060 2.577 2.541 2.622 . 0 0 "[ . 1 . 2]" 1
1272 1 55 HIS H 1 57 ALA H 4.900 . 4.900 4.065 3.987 4.133 . 0 0 "[ . 1 . 2]" 1
1273 1 55 HIS H 1 57 ALA MB 5.200 . 5.200 4.826 4.708 4.897 . 0 0 "[ . 1 . 2]" 1
1274 1 55 HIS HB3 1 56 LEU H 2.980 . 2.980 2.365 2.312 2.413 . 0 0 "[ . 1 . 2]" 1
1275 1 55 HIS HB3 1 57 ALA H 5.380 . 5.380 4.931 4.807 5.012 . 0 0 "[ . 1 . 2]" 1
1276 1 55 HIS HB2 1 56 LEU H 3.670 . 3.670 3.728 3.715 3.744 0.074 12 0 "[ . 1 . 2]" 1
1277 1 55 HIS HD2 1 105 PRO HA 5.500 . 5.500 5.471 5.221 5.569 0.069 9 0 "[ . 1 . 2]" 1
1278 1 55 HIS HD2 1 105 PRO HB3 5.440 . 5.440 3.346 3.071 3.469 . 0 0 "[ . 1 . 2]" 1
1279 1 55 HIS HD2 1 105 PRO HB2 5.440 . 5.440 3.974 3.752 4.285 . 0 0 "[ . 1 . 2]" 1
1280 1 55 HIS HD2 1 105 PRO QB 4.670 . 4.670 3.177 2.939 3.318 . 0 0 "[ . 1 . 2]" 1
1281 1 55 HIS HD2 1 56 LEU HA . . 3.500 3.339 3.001 3.518 0.018 1 0 "[ . 1 . 2]" 1
1282 1 55 HIS HD2 1 56 LEU HB2 5.500 . 5.500 3.969 3.429 4.393 . 0 0 "[ . 1 . 2]" 1
1283 1 55 HIS HD2 1 56 LEU H 4.240 . 4.240 3.643 3.387 3.849 . 0 0 "[ . 1 . 2]" 1
1284 1 56 LEU HA 1 56 LEU QD 3.300 . 3.300 1.831 1.775 1.953 0.025 4 0 "[ . 1 . 2]" 1
1285 1 56 LEU HA 1 56 LEU MD1 4.470 . 4.470 3.078 1.878 3.741 . 0 0 "[ . 1 . 2]" 1
1286 1 56 LEU HA 1 56 LEU MD2 4.470 . 4.470 2.451 1.778 3.688 0.022 4 0 "[ . 1 . 2]" 1
1287 1 56 LEU HA 1 59 LYS H 3.360 . 3.360 3.181 2.912 3.380 0.020 9 0 "[ . 1 . 2]" 1
1288 1 56 LEU HA 1 60 LEU H 4.270 . 4.270 3.714 3.547 3.931 . 0 0 "[ . 1 . 2]" 1
1289 1 56 LEU HA 1 60 LEU MD1 5.500 . 5.500 3.733 3.432 3.868 . 0 0 "[ . 1 . 2]" 1
1290 1 56 LEU HA 1 95 TYR QE 5.500 . 5.500 5.080 4.923 5.502 0.002 16 0 "[ . 1 . 2]" 1
1291 1 56 LEU HA 1 103 TYR QE 5.500 . 5.500 4.527 4.329 4.719 . 0 0 "[ . 1 . 2]" 1
1292 1 56 LEU HG 1 60 LEU HG 5.490 . 5.490 4.077 2.288 5.070 . 0 0 "[ . 1 . 2]" 1
1293 1 56 LEU HG 1 99 PHE HZ 5.500 . 5.500 4.345 3.700 5.357 . 0 0 "[ . 1 . 2]" 1
1294 1 56 LEU HG 1 99 PHE QE 4.690 . 4.690 4.102 3.726 4.712 0.022 11 0 "[ . 1 . 2]" 1
1295 1 56 LEU H 1 56 LEU HB2 2.560 . 2.560 2.182 2.082 2.326 . 0 0 "[ . 1 . 2]" 1
1296 1 56 LEU H 1 56 LEU QD 3.830 . 3.830 3.651 3.530 3.713 . 0 0 "[ . 1 . 2]" 1
1297 1 56 LEU H 1 56 LEU MD1 4.490 . 4.490 4.164 3.813 4.378 . 0 0 "[ . 1 . 2]" 1
1298 1 56 LEU H 1 56 LEU MD2 4.490 . 4.490 4.079 3.923 4.259 . 0 0 "[ . 1 . 2]" 1
1299 1 56 LEU H 1 57 ALA HA 5.230 . 5.230 5.246 5.191 5.271 0.041 12 0 "[ . 1 . 2]" 1
1300 1 56 LEU H 1 57 ALA H 2.830 . 2.830 2.701 2.594 2.763 . 0 0 "[ . 1 . 2]" 1
1301 1 56 LEU H 1 58 ARG H 4.160 . 4.160 4.085 3.974 4.161 0.001 7 0 "[ . 1 . 2]" 1
1302 1 56 LEU H 1 59 LYS H 4.720 . 4.720 4.641 4.497 4.747 0.027 15 0 "[ . 1 . 2]" 1
1303 1 56 LEU H 1 103 TYR QE 4.140 . 4.140 3.492 3.257 3.739 . 0 0 "[ . 1 . 2]" 1
1304 1 56 LEU HB3 1 57 ALA H 2.810 . 2.810 2.694 2.603 2.823 0.013 12 0 "[ . 1 . 2]" 1
1305 1 56 LEU HB3 1 58 ARG H 4.800 . 4.800 4.926 4.856 4.981 0.181 7 0 "[ . 1 . 2]" 1
1306 1 56 LEU HB3 1 60 LEU MD1 4.990 . 4.990 2.920 2.465 3.200 . 0 0 "[ . 1 . 2]" 1
1307 1 56 LEU HB3 1 99 PHE QE 5.500 . 5.500 5.653 5.606 5.728 0.228 18 0 "[ . 1 . 2]" 1
1308 1 56 LEU HB3 1 103 TYR QE 3.830 . 3.830 3.924 3.833 3.989 0.159 7 0 "[ . 1 . 2]" 1
1309 1 56 LEU HB2 1 57 ALA H 3.570 . 3.570 3.496 3.280 3.697 0.127 8 0 "[ . 1 . 2]" 1
1310 1 56 LEU HB2 1 99 PHE QE 5.500 . 5.500 5.464 5.165 5.603 0.103 7 0 "[ . 1 . 2]" 1
1311 1 56 LEU HB2 1 103 TYR QE 3.280 . 3.280 2.585 2.395 2.824 . 0 0 "[ . 1 . 2]" 1
1312 1 56 LEU QD 1 57 ALA HA 5.440 . 5.440 4.172 3.888 4.400 . 0 0 "[ . 1 . 2]" 1
1313 1 56 LEU QD 1 57 ALA H 4.470 . 4.470 3.935 3.813 4.028 . 0 0 "[ . 1 . 2]" 1
1314 1 56 LEU QD 1 59 LYS H 4.160 . 4.160 4.061 3.921 4.182 0.022 7 0 "[ . 1 . 2]" 1
1315 1 56 LEU QD 1 60 LEU HG 3.490 . 3.490 2.341 1.875 3.070 . 0 0 "[ . 1 . 2]" 1
1316 1 56 LEU QD 1 60 LEU H 4.030 . 4.030 3.477 3.118 3.930 . 0 0 "[ . 1 . 2]" 1
1317 1 56 LEU QD 1 60 LEU MD1 3.370 . 3.370 1.894 1.783 2.115 0.017 12 0 "[ . 1 . 2]" 1
1318 1 56 LEU QD 1 60 LEU MD2 3.730 . 3.730 2.445 2.231 2.756 . 0 0 "[ . 1 . 2]" 1
1319 1 56 LEU QD 1 91 TYR QE 5.440 . 5.440 5.126 4.897 5.462 0.022 13 0 "[ . 1 . 2]" 1
1320 1 56 LEU QD 1 92 ILE MG 5.440 . 5.440 3.950 3.795 4.068 . 0 0 "[ . 1 . 2]" 1
1321 1 56 LEU QD 1 95 TYR QD 3.790 . 3.790 3.046 2.881 3.167 . 0 0 "[ . 1 . 2]" 1
1322 1 56 LEU QD 1 95 TYR QE 2.730 . 2.730 1.757 1.685 2.099 0.115 4 0 "[ . 1 . 2]" 1
1323 1 56 LEU QD 1 96 MET HB3 5.440 . 5.440 4.511 4.337 4.732 . 0 0 "[ . 1 . 2]" 1
1324 1 56 LEU QD 1 96 MET ME 3.260 . 3.260 2.282 2.175 2.470 . 0 0 "[ . 1 . 2]" 1
1325 1 56 LEU QD 1 98 LYS QD 5.440 . 5.440 5.226 4.752 5.503 0.063 2 0 "[ . 1 . 2]" 1
1326 1 56 LEU QD 1 99 PHE QD 5.440 . 5.440 3.754 3.627 3.886 . 0 0 "[ . 1 . 2]" 1
1327 1 56 LEU QD 1 99 PHE QE 5.080 . 5.080 2.208 2.048 2.432 . 0 0 "[ . 1 . 2]" 1
1328 1 56 LEU QD 1 103 TYR QE 3.060 . 3.060 2.581 2.099 2.869 . 0 0 "[ . 1 . 2]" 1
1329 1 56 LEU QD 1 105 PRO HA 5.370 . 5.370 4.357 3.807 4.701 . 0 0 "[ . 1 . 2]" 1
1330 1 56 LEU QD 1 105 PRO QB 4.100 . 4.100 3.617 2.974 4.029 . 0 0 "[ . 1 . 2]" 1
1331 1 56 LEU QD 1 108 ASP HB2 5.440 . 5.440 4.143 3.655 4.679 . 0 0 "[ . 1 . 2]" 1
1332 1 56 LEU MD1 1 60 LEU HG 4.210 . 4.210 3.651 2.964 4.038 . 0 0 "[ . 1 . 2]" 1
1333 1 56 LEU MD1 1 60 LEU H 5.500 . 5.500 4.801 3.832 5.325 . 0 0 "[ . 1 . 2]" 1
1334 1 56 LEU MD1 1 60 LEU MD1 4.070 . 4.070 2.407 1.941 3.174 . 0 0 "[ . 1 . 2]" 1
1335 1 56 LEU MD1 1 95 TYR QD 4.350 . 4.350 3.502 3.113 3.984 . 0 0 "[ . 1 . 2]" 1
1336 1 56 LEU MD1 1 95 TYR QE 3.610 . 3.610 2.002 1.907 2.184 . 0 0 "[ . 1 . 2]" 1
1337 1 56 LEU MD1 1 96 MET ME 4.210 . 4.210 2.886 2.182 4.238 0.028 18 0 "[ . 1 . 2]" 1
1338 1 56 LEU MD1 1 99 PHE HZ 5.500 . 5.500 3.209 2.574 3.691 . 0 0 "[ . 1 . 2]" 1
1339 1 56 LEU MD1 1 103 TYR QD 5.500 . 5.500 3.382 3.081 3.935 . 0 0 "[ . 1 . 2]" 1
1340 1 56 LEU MD1 1 103 TYR QE 4.070 . 4.070 2.748 2.155 3.115 . 0 0 "[ . 1 . 2]" 1
1341 1 56 LEU MD2 1 59 LYS H 5.500 . 5.500 4.672 3.972 5.770 0.270 19 0 "[ . 1 . 2]" 1
1342 1 56 LEU MD2 1 60 LEU HG 4.210 . 4.210 2.616 1.879 3.818 . 0 0 "[ . 1 . 2]" 1
1343 1 56 LEU MD2 1 60 LEU H 5.500 . 5.500 3.902 3.148 5.046 . 0 0 "[ . 1 . 2]" 1
1344 1 56 LEU MD2 1 60 LEU MD1 4.070 . 4.070 2.032 1.886 2.160 . 0 0 "[ . 1 . 2]" 1
1345 1 56 LEU MD2 1 95 TYR QD 4.350 . 4.350 3.467 2.961 3.709 . 0 0 "[ . 1 . 2]" 1
1346 1 56 LEU MD2 1 95 TYR QE 3.610 . 3.610 1.998 1.809 2.811 . 0 0 "[ . 1 . 2]" 1
1347 1 56 LEU MD2 1 96 MET ME 4.210 . 4.210 3.612 2.355 4.288 0.078 7 0 "[ . 1 . 2]" 1
1348 1 56 LEU MD2 1 99 PHE HZ 5.500 . 5.500 3.306 3.026 3.746 . 0 0 "[ . 1 . 2]" 1
1349 1 56 LEU MD2 1 103 TYR QD 5.500 . 5.500 4.085 3.127 4.683 . 0 0 "[ . 1 . 2]" 1
1350 1 56 LEU MD2 1 103 TYR QE 4.070 . 4.070 3.217 2.891 3.536 . 0 0 "[ . 1 . 2]" 1
1351 1 57 ALA HA 1 58 ARG H 3.550 . 3.550 3.442 3.410 3.463 . 0 0 "[ . 1 . 2]" 1
1352 1 57 ALA HA 1 59 LYS H 4.800 . 4.800 4.472 4.247 4.630 . 0 0 "[ . 1 . 2]" 1
1353 1 57 ALA HA 1 60 LEU H 3.930 . 3.930 3.657 3.557 3.779 . 0 0 "[ . 1 . 2]" 1
1354 1 57 ALA HA 1 60 LEU HB2 4.390 . 4.390 3.021 2.940 3.141 . 0 0 "[ . 1 . 2]" 1
1355 1 57 ALA HA 1 60 LEU MD1 4.570 . 4.570 2.601 2.412 2.819 . 0 0 "[ . 1 . 2]" 1
1356 1 57 ALA HA 1 61 THR H 4.420 . 4.420 3.922 3.779 4.011 . 0 0 "[ . 1 . 2]" 1
1357 1 57 ALA H 1 57 ALA HA 2.930 . 2.930 2.785 2.764 2.817 . 0 0 "[ . 1 . 2]" 1
1358 1 57 ALA H 1 57 ALA MB 2.420 . 2.420 2.257 2.226 2.288 . 0 0 "[ . 1 . 2]" 1
1359 1 57 ALA H 1 58 ARG H 2.840 . 2.840 2.674 2.620 2.714 . 0 0 "[ . 1 . 2]" 1
1360 1 57 ALA H 1 58 ARG QG 4.710 . 4.710 4.429 4.172 4.649 . 0 0 "[ . 1 . 2]" 1
1361 1 57 ALA H 1 59 LYS H 4.320 . 4.320 4.206 3.983 4.350 0.030 12 0 "[ . 1 . 2]" 1
1362 1 57 ALA H 1 60 LEU H 5.250 . 5.250 4.830 4.785 4.888 . 0 0 "[ . 1 . 2]" 1
1363 1 57 ALA H 1 103 TYR QE 5.500 . 5.500 5.358 5.253 5.467 . 0 0 "[ . 1 . 2]" 1
1364 1 57 ALA MB 1 58 ARG HA 4.780 . 4.780 3.857 3.727 3.964 . 0 0 "[ . 1 . 2]" 1
1365 1 57 ALA MB 1 58 ARG H 3.100 . 3.100 2.551 2.491 2.607 . 0 0 "[ . 1 . 2]" 1
1366 1 57 ALA MB 1 58 ARG QB 4.460 . 4.460 4.178 3.741 4.451 . 0 0 "[ . 1 . 2]" 1
1367 1 57 ALA MB 1 58 ARG QG 5.340 . 5.340 3.728 3.083 4.372 . 0 0 "[ . 1 . 2]" 1
1368 1 57 ALA MB 1 59 LYS H 4.910 . 4.910 4.588 4.434 4.719 . 0 0 "[ . 1 . 2]" 1
1369 1 58 ARG HA 1 58 ARG QB 2.680 . 2.680 2.321 2.181 2.429 . 0 0 "[ . 1 . 2]" 1
1370 1 58 ARG HA 1 58 ARG QD 4.480 . 4.480 3.592 1.843 4.521 0.041 6 0 "[ . 1 . 2]" 1
1371 1 58 ARG HA 1 58 ARG QG 3.620 . 3.620 2.904 2.426 3.571 . 0 0 "[ . 1 . 2]" 1
1372 1 58 ARG HA 1 61 THR HB 3.460 . 3.460 2.899 2.631 3.278 . 0 0 "[ . 1 . 2]" 1
1373 1 58 ARG HA 1 61 THR MG 5.040 . 5.040 4.130 3.855 4.508 . 0 0 "[ . 1 . 2]" 1
1374 1 58 ARG H 1 58 ARG QB 2.850 . 2.850 2.507 2.344 2.689 . 0 0 "[ . 1 . 2]" 1
1375 1 58 ARG H 1 58 ARG QD 3.940 . 3.940 3.688 3.006 3.927 . 0 0 "[ . 1 . 2]" 1
1376 1 58 ARG H 1 58 ARG QG 2.950 . 2.950 2.378 2.224 2.555 . 0 0 "[ . 1 . 2]" 1
1377 1 58 ARG H 1 59 LYS H 2.860 . 2.860 2.618 2.508 2.728 . 0 0 "[ . 1 . 2]" 1
1378 1 58 ARG H 1 60 LEU H 4.370 . 4.370 4.199 4.116 4.275 . 0 0 "[ . 1 . 2]" 1
1379 1 58 ARG QB 1 58 ARG QD 3.200 . 3.200 2.159 2.011 2.324 . 0 0 "[ . 1 . 2]" 1
1380 1 58 ARG QB 1 59 LYS HA 5.270 . 5.270 3.921 3.531 4.545 . 0 0 "[ . 1 . 2]" 1
1381 1 58 ARG QD 1 59 LYS HA 5.500 . 5.500 5.307 2.634 5.608 0.108 13 0 "[ . 1 . 2]" 1
1382 1 58 ARG QD 1 59 LYS H 4.350 . 4.350 4.246 2.532 4.547 0.197 19 0 "[ . 1 . 2]" 1
1383 1 58 ARG QG 1 59 LYS H 4.450 . 4.450 3.415 2.190 4.131 . 0 0 "[ . 1 . 2]" 1
1384 1 59 LYS HA 1 62 HIS QB 3.800 . 3.800 2.753 2.417 3.122 . 0 0 "[ . 1 . 2]" 1
1385 1 59 LYS H 1 60 LEU HG 4.780 . 4.780 4.179 4.033 4.364 . 0 0 "[ . 1 . 2]" 1
1386 1 59 LYS H 1 60 LEU H 3.010 . 3.010 2.718 2.576 2.908 . 0 0 "[ . 1 . 2]" 1
1387 1 59 LYS H 1 60 LEU MD2 5.500 . 5.500 5.377 5.231 5.523 0.023 1 0 "[ . 1 . 2]" 1
1388 1 59 LYS H 1 61 THR HB 5.500 . 5.500 5.181 4.947 5.398 . 0 0 "[ . 1 . 2]" 1
1389 1 60 LEU HA 1 60 LEU HG 3.810 . 3.810 2.643 2.593 2.691 . 0 0 "[ . 1 . 2]" 1
1390 1 60 LEU HA 1 60 LEU MD1 4.610 . 4.610 3.816 3.790 3.846 . 0 0 "[ . 1 . 2]" 1
1391 1 60 LEU HA 1 60 LEU MD2 3.180 . 3.180 1.978 1.932 2.022 . 0 0 "[ . 1 . 2]" 1
1392 1 60 LEU HA 1 62 HIS H 5.500 . 5.500 4.130 4.065 4.227 . 0 0 "[ . 1 . 2]" 1
1393 1 60 LEU HA 1 91 TYR QE 4.050 . 4.050 2.793 2.604 2.926 . 0 0 "[ . 1 . 2]" 1
1394 1 60 LEU HA 1 92 ILE MD 4.730 . 4.730 4.195 4.057 4.309 . 0 0 "[ . 1 . 2]" 1
1395 1 60 LEU HG 1 61 THR H 4.060 . 4.060 4.079 4.042 4.103 0.043 20 0 "[ . 1 . 2]" 1
1396 1 60 LEU HG 1 62 HIS H 5.500 . 5.500 5.572 5.547 5.604 0.104 16 0 "[ . 1 . 2]" 1
1397 1 60 LEU HG 1 91 TYR QE 4.450 . 4.450 4.440 4.347 4.499 0.049 8 0 "[ . 1 . 2]" 1
1398 1 60 LEU H 1 60 LEU HA 2.910 . 2.910 2.702 2.661 2.742 . 0 0 "[ . 1 . 2]" 1
1399 1 60 LEU H 1 60 LEU HG 2.710 . 2.710 1.937 1.876 1.995 . 0 0 "[ . 1 . 2]" 1
1400 1 60 LEU H 1 60 LEU HB3 3.770 . 3.770 3.537 3.493 3.571 . 0 0 "[ . 1 . 2]" 1
1401 1 60 LEU H 1 60 LEU HB2 2.770 . 2.770 2.416 2.368 2.466 . 0 0 "[ . 1 . 2]" 1
1402 1 60 LEU H 1 60 LEU MD1 3.370 . 3.370 3.161 3.111 3.193 . 0 0 "[ . 1 . 2]" 1
1403 1 60 LEU H 1 60 LEU MD2 3.510 . 3.510 3.367 3.285 3.442 . 0 0 "[ . 1 . 2]" 1
1404 1 60 LEU H 1 61 THR HB 4.910 . 4.910 4.830 4.715 4.915 0.005 8 0 "[ . 1 . 2]" 1
1405 1 60 LEU H 1 61 THR H 2.810 . 2.810 2.622 2.564 2.673 . 0 0 "[ . 1 . 2]" 1
1406 1 60 LEU H 1 62 HIS H 4.160 . 4.160 3.926 3.870 3.973 . 0 0 "[ . 1 . 2]" 1
1407 1 60 LEU H 1 62 HIS QB 5.500 . 5.500 4.812 4.626 5.071 . 0 0 "[ . 1 . 2]" 1
1408 1 60 LEU H 1 63 GLY H 4.720 . 4.720 4.559 4.495 4.630 . 0 0 "[ . 1 . 2]" 1
1409 1 60 LEU HB3 1 60 LEU MD1 3.230 . 3.230 2.522 2.482 2.556 . 0 0 "[ . 1 . 2]" 1
1410 1 60 LEU HB3 1 60 LEU MD2 3.500 . 3.500 2.225 2.181 2.259 . 0 0 "[ . 1 . 2]" 1
1411 1 60 LEU HB3 1 92 ILE H 5.500 . 5.500 5.593 5.555 5.620 0.120 14 0 "[ . 1 . 2]" 1
1412 1 60 LEU HB2 1 60 LEU MD1 3.560 . 3.560 2.302 2.265 2.335 . 0 0 "[ . 1 . 2]" 1
1413 1 60 LEU HB2 1 61 THR H 2.890 . 2.890 2.501 2.403 2.556 . 0 0 "[ . 1 . 2]" 1
1414 1 60 LEU HB2 1 62 HIS H 4.750 . 4.750 4.784 4.762 4.803 0.053 6 0 "[ . 1 . 2]" 1
1415 1 60 LEU HB2 1 92 ILE MD 5.240 . 5.240 2.899 2.824 2.975 . 0 0 "[ . 1 . 2]" 1
1416 1 60 LEU MD1 1 61 THR H 4.330 . 4.330 4.273 4.208 4.338 0.008 12 0 "[ . 1 . 2]" 1
1417 1 60 LEU MD1 1 88 THR MG 5.500 . 5.500 4.848 4.696 5.003 . 0 0 "[ . 1 . 2]" 1
1418 1 60 LEU MD1 1 91 TYR QD 5.100 . 5.100 4.897 4.810 4.981 . 0 0 "[ . 1 . 2]" 1
1419 1 60 LEU MD1 1 91 TYR QE 4.700 . 4.700 4.283 4.143 4.506 . 0 0 "[ . 1 . 2]" 1
1420 1 60 LEU MD1 1 92 ILE HA 5.500 . 5.500 3.656 3.547 3.748 . 0 0 "[ . 1 . 2]" 1
1421 1 60 LEU MD1 1 92 ILE H 5.500 . 5.500 5.372 5.293 5.443 . 0 0 "[ . 1 . 2]" 1
1422 1 60 LEU MD1 1 92 ILE MD 3.230 . 3.230 1.748 1.738 1.757 0.062 20 0 "[ . 1 . 2]" 1
1423 1 60 LEU MD1 1 92 ILE HG13 4.600 . 4.600 4.157 4.099 4.216 . 0 0 "[ . 1 . 2]" 1
1424 1 60 LEU MD1 1 92 ILE MG 3.480 . 3.480 2.800 2.597 3.009 . 0 0 "[ . 1 . 2]" 1
1425 1 60 LEU MD1 1 95 TYR QD 4.020 . 4.020 3.278 3.022 3.989 . 0 0 "[ . 1 . 2]" 1
1426 1 60 LEU MD1 1 95 TYR QE 4.380 . 4.380 3.197 2.869 3.997 . 0 0 "[ . 1 . 2]" 1
1427 1 60 LEU MD1 1 96 MET H 5.440 . 5.440 5.339 5.145 5.462 0.022 15 0 "[ . 1 . 2]" 1
1428 1 60 LEU MD2 1 61 THR H 4.870 . 4.870 4.629 4.582 4.675 . 0 0 "[ . 1 . 2]" 1
1429 1 60 LEU MD2 1 62 HIS H 5.500 . 5.500 5.584 5.539 5.624 0.124 17 0 "[ . 1 . 2]" 1
1430 1 60 LEU MD2 1 63 GLY H 5.080 . 5.080 4.655 4.524 4.767 . 0 0 "[ . 1 . 2]" 1
1431 1 60 LEU MD2 1 64 VAL H 5.500 . 5.500 5.127 5.022 5.268 . 0 0 "[ . 1 . 2]" 1
1432 1 60 LEU MD2 1 88 THR MG 5.500 . 5.500 4.945 4.783 5.067 . 0 0 "[ . 1 . 2]" 1
1433 1 60 LEU MD2 1 91 TYR QD 4.090 . 4.090 3.495 3.389 3.587 . 0 0 "[ . 1 . 2]" 1
1434 1 60 LEU MD2 1 91 TYR QE 2.940 . 2.940 2.224 2.153 2.370 . 0 0 "[ . 1 . 2]" 1
1435 1 60 LEU MD2 1 92 ILE HA 5.250 . 5.250 3.171 2.953 3.289 . 0 0 "[ . 1 . 2]" 1
1436 1 60 LEU MD2 1 92 ILE MD 3.570 . 3.570 2.259 2.129 2.381 . 0 0 "[ . 1 . 2]" 1
1437 1 60 LEU MD2 1 92 ILE HG13 4.860 . 4.860 4.864 4.677 4.908 0.048 10 0 "[ . 1 . 2]" 1
1438 1 60 LEU MD2 1 92 ILE HG12 5.270 . 5.270 3.771 3.431 3.911 . 0 0 "[ . 1 . 2]" 1
1439 1 60 LEU MD2 1 92 ILE MG 4.750 . 4.750 3.799 3.597 3.980 . 0 0 "[ . 1 . 2]" 1
1440 1 60 LEU MD2 1 95 TYR H 5.220 . 5.220 5.224 5.052 5.285 0.065 6 0 "[ . 1 . 2]" 1
1441 1 60 LEU MD2 1 95 TYR HB3 5.500 . 5.500 3.527 3.314 3.679 . 0 0 "[ . 1 . 2]" 1
1442 1 60 LEU MD2 1 95 TYR HB2 5.500 . 5.500 3.725 3.585 3.838 . 0 0 "[ . 1 . 2]" 1
1443 1 60 LEU MD2 1 95 TYR QD 3.590 . 3.590 2.754 2.564 2.903 . 0 0 "[ . 1 . 2]" 1
1444 1 60 LEU MD2 1 95 TYR QE 3.510 . 3.510 2.732 2.464 2.947 . 0 0 "[ . 1 . 2]" 1
1445 1 60 LEU MD2 1 96 MET H 5.500 . 5.500 5.036 4.776 5.207 . 0 0 "[ . 1 . 2]" 1
1446 1 61 THR HA 1 61 THR MG 3.440 . 3.440 2.399 2.370 2.434 . 0 0 "[ . 1 . 2]" 1
1447 1 61 THR HA 1 63 GLY H 4.920 . 4.920 4.440 4.342 4.523 . 0 0 "[ . 1 . 2]" 1
1448 1 61 THR HA 1 64 VAL HB 4.470 . 4.470 3.485 3.229 3.718 . 0 0 "[ . 1 . 2]" 1
1449 1 61 THR H 1 61 THR HB 2.640 . 2.640 2.629 2.551 2.671 0.031 3 0 "[ . 1 . 2]" 1
1450 1 61 THR MG 1 62 HIS H 3.880 . 3.880 3.477 3.379 3.565 . 0 0 "[ . 1 . 2]" 1
1451 1 61 THR MG 1 64 VAL HB 5.270 . 5.270 4.516 4.251 4.746 . 0 0 "[ . 1 . 2]" 1
1452 1 62 HIS HA 1 63 GLY H 3.540 . 3.540 3.529 3.482 3.559 0.019 12 0 "[ . 1 . 2]" 1
1453 1 62 HIS HA 1 64 VAL H 4.680 . 4.680 4.465 4.343 4.587 . 0 0 "[ . 1 . 2]" 1
1454 1 62 HIS HA 1 65 MET HB3 4.030 . 4.030 2.355 2.167 2.506 . 0 0 "[ . 1 . 2]" 1
1455 1 62 HIS HA 1 65 MET HB2 4.240 . 4.240 3.195 2.885 3.597 . 0 0 "[ . 1 . 2]" 1
1456 1 62 HIS HA 1 65 MET ME 4.310 . 4.310 4.418 4.375 4.462 0.152 11 0 "[ . 1 . 2]" 1
1457 1 62 HIS H 1 62 HIS QB 2.500 . 2.500 2.258 2.206 2.319 . 0 0 "[ . 1 . 2]" 1
1458 1 62 HIS H 1 63 GLY H 2.960 . 2.960 2.619 2.540 2.669 . 0 0 "[ . 1 . 2]" 1
1459 1 62 HIS H 1 64 VAL H 4.560 . 4.560 4.263 4.203 4.356 . 0 0 "[ . 1 . 2]" 1
1460 1 62 HIS H 1 65 MET H 5.020 . 5.020 4.831 4.767 4.942 . 0 0 "[ . 1 . 2]" 1
1461 1 62 HIS QB 1 63 GLY H 3.030 . 3.030 2.865 2.748 3.011 . 0 0 "[ . 1 . 2]" 1
1462 1 62 HIS QB 1 64 VAL H 4.950 . 4.950 4.979 4.938 4.999 0.049 10 0 "[ . 1 . 2]" 1
1463 1 62 HIS QB 1 65 MET H 5.210 . 5.210 5.162 5.034 5.245 0.035 4 0 "[ . 1 . 2]" 1
1464 1 62 HIS QB 1 66 ASN HD22 5.500 . 5.500 4.609 4.157 5.049 . 0 0 "[ . 1 . 2]" 1
1465 1 62 HIS HD2 1 63 GLY HA3 5.500 . 5.500 4.953 4.408 5.509 0.009 17 0 "[ . 1 . 2]" 1
1466 1 62 HIS HD2 1 63 GLY HA2 5.500 . 5.500 3.852 3.305 4.455 . 0 0 "[ . 1 . 2]" 1
1467 1 63 GLY H 1 63 GLY HA3 2.400 . 2.400 2.332 2.287 2.367 . 0 0 "[ . 1 . 2]" 1
1468 1 63 GLY H 1 64 VAL HB 5.130 . 5.130 4.899 4.712 5.055 . 0 0 "[ . 1 . 2]" 1
1469 1 63 GLY H 1 64 VAL H 3.000 . 3.000 2.614 2.535 2.705 . 0 0 "[ . 1 . 2]" 1
1470 1 63 GLY H 1 64 VAL QG 4.460 . 4.460 4.115 3.944 4.209 . 0 0 "[ . 1 . 2]" 1
1471 1 63 GLY H 1 65 MET H 4.380 . 4.380 3.870 3.764 3.958 . 0 0 "[ . 1 . 2]" 1
1472 1 63 GLY HA3 1 64 VAL H 3.000 . 3.000 2.938 2.838 2.994 . 0 0 "[ . 1 . 2]" 1
1473 1 63 GLY HA3 1 66 ASN HB3 5.500 . 5.500 5.580 5.525 5.606 0.106 3 0 "[ . 1 . 2]" 1
1474 1 63 GLY HA3 1 66 ASN HB2 5.400 . 5.400 4.203 4.002 4.448 . 0 0 "[ . 1 . 2]" 1
1475 1 63 GLY HA3 1 91 TYR QE 4.660 . 4.660 4.110 3.876 4.291 . 0 0 "[ . 1 . 2]" 1
1476 1 63 GLY HA2 1 66 ASN H 3.900 . 3.900 3.255 3.082 3.425 . 0 0 "[ . 1 . 2]" 1
1477 1 63 GLY HA2 1 66 ASN HB3 4.660 . 4.660 3.994 3.930 4.093 . 0 0 "[ . 1 . 2]" 1
1478 1 63 GLY HA2 1 66 ASN HB2 4.640 . 4.640 2.563 2.413 2.748 . 0 0 "[ . 1 . 2]" 1
1479 1 63 GLY HA2 1 66 ASN HD22 5.500 . 5.500 4.610 3.485 5.448 . 0 0 "[ . 1 . 2]" 1
1480 1 64 VAL HA 1 64 VAL QG 3.000 . 3.000 2.182 2.162 2.205 . 0 0 "[ . 1 . 2]" 1
1481 1 64 VAL HA 1 64 VAL MG1 3.560 . 3.560 2.485 2.424 2.534 . 0 0 "[ . 1 . 2]" 1
1482 1 64 VAL HA 1 64 VAL MG2 3.560 . 3.560 2.417 2.359 2.454 . 0 0 "[ . 1 . 2]" 1
1483 1 64 VAL HA 1 66 ASN H 4.870 . 4.870 4.523 4.405 4.635 . 0 0 "[ . 1 . 2]" 1
1484 1 64 VAL HA 1 67 LYS H 3.960 . 3.960 3.471 3.247 3.656 . 0 0 "[ . 1 . 2]" 1
1485 1 64 VAL HA 1 67 LYS QB 3.530 . 3.530 2.708 2.265 3.594 0.064 17 0 "[ . 1 . 2]" 1
1486 1 64 VAL HA 1 91 TYR QE 5.500 . 5.500 5.115 4.833 5.278 . 0 0 "[ . 1 . 2]" 1
1487 1 64 VAL HB 1 91 TYR QE 5.500 . 5.500 5.472 5.284 5.531 0.031 17 0 "[ . 1 . 2]" 1
1488 1 64 VAL H 1 64 VAL HA 2.910 . 2.910 2.904 2.888 2.917 0.007 6 0 "[ . 1 . 2]" 1
1489 1 64 VAL H 1 64 VAL HB 2.550 . 2.550 2.542 2.462 2.571 0.021 6 0 "[ . 1 . 2]" 1
1490 1 64 VAL H 1 64 VAL QG 2.550 . 2.550 2.245 2.168 2.377 . 0 0 "[ . 1 . 2]" 1
1491 1 64 VAL H 1 65 MET H 2.840 . 2.840 2.274 2.239 2.304 . 0 0 "[ . 1 . 2]" 1
1492 1 64 VAL H 1 66 ASN H 4.570 . 4.570 4.087 4.010 4.150 . 0 0 "[ . 1 . 2]" 1
1493 1 64 VAL H 1 66 ASN HB2 5.500 . 5.500 5.069 4.929 5.185 . 0 0 "[ . 1 . 2]" 1
1494 1 64 VAL H 1 67 LYS H 5.500 . 5.500 4.684 4.521 4.793 . 0 0 "[ . 1 . 2]" 1
1495 1 64 VAL H 1 91 TYR QD 5.020 . 5.020 5.004 4.888 5.084 0.064 17 0 "[ . 1 . 2]" 1
1496 1 64 VAL QG 1 65 MET HA 4.460 . 4.460 3.467 3.206 3.592 . 0 0 "[ . 1 . 2]" 1
1497 1 64 VAL QG 1 65 MET H 3.550 . 3.550 3.168 3.043 3.216 . 0 0 "[ . 1 . 2]" 1
1498 1 64 VAL QG 1 66 ASN H 5.090 . 5.090 4.745 4.686 4.808 . 0 0 "[ . 1 . 2]" 1
1499 1 64 VAL QG 1 67 LYS H 5.100 . 5.100 4.427 4.268 4.576 . 0 0 "[ . 1 . 2]" 1
1500 1 64 VAL QG 1 68 GLU H 4.740 . 4.740 3.892 3.771 4.021 . 0 0 "[ . 1 . 2]" 1
1501 1 64 VAL QG 1 68 GLU HG3 5.440 . 5.440 4.292 3.848 4.517 . 0 0 "[ . 1 . 2]" 1
1502 1 64 VAL QG 1 68 GLU HG2 3.970 . 3.970 3.050 2.715 3.229 . 0 0 "[ . 1 . 2]" 1
1503 1 64 VAL QG 1 84 VAL H 5.440 . 5.440 5.636 5.544 5.692 0.252 10 0 "[ . 1 . 2]" 1
1504 1 64 VAL QG 1 84 VAL MG1 3.580 . 3.580 2.125 2.063 2.196 . 0 0 "[ . 1 . 2]" 1
1505 1 64 VAL QG 1 88 THR HA 5.010 . 5.010 2.439 2.249 2.578 . 0 0 "[ . 1 . 2]" 1
1506 1 64 VAL QG 1 88 THR HB 4.820 . 4.820 3.526 3.458 3.593 . 0 0 "[ . 1 . 2]" 1
1507 1 64 VAL QG 1 88 THR H 4.460 . 4.460 3.742 3.577 3.949 . 0 0 "[ . 1 . 2]" 1
1508 1 64 VAL QG 1 88 THR MG 3.140 . 3.140 2.297 2.148 2.494 . 0 0 "[ . 1 . 2]" 1
1509 1 64 VAL QG 1 89 LYS H 5.090 . 5.090 4.785 4.636 4.898 . 0 0 "[ . 1 . 2]" 1
1510 1 64 VAL QG 1 91 TYR QD 3.020 . 3.020 2.546 2.448 2.666 . 0 0 "[ . 1 . 2]" 1
1511 1 64 VAL QG 1 91 TYR QE 3.150 . 3.150 2.972 2.800 3.121 . 0 0 "[ . 1 . 2]" 1
1512 1 64 VAL QG 1 92 ILE MD 4.060 . 4.060 3.790 3.560 3.918 . 0 0 "[ . 1 . 2]" 1
1513 1 65 MET HA 1 65 MET ME 5.120 . 5.120 4.755 4.682 4.830 . 0 0 "[ . 1 . 2]" 1
1514 1 65 MET HA 1 65 MET HG3 3.980 . 3.980 2.719 2.622 2.795 . 0 0 "[ . 1 . 2]" 1
1515 1 65 MET HA 1 65 MET HG2 3.980 . 3.980 3.287 3.201 3.379 . 0 0 "[ . 1 . 2]" 1
1516 1 65 MET HA 1 65 MET QG 3.410 . 3.410 2.595 2.526 2.658 . 0 0 "[ . 1 . 2]" 1
1517 1 65 MET HA 1 68 GLU H 3.760 . 3.760 3.777 3.682 3.852 0.092 17 0 "[ . 1 . 2]" 1
1518 1 65 MET HA 1 78 LEU MD1 5.360 . 5.360 2.844 2.490 3.059 . 0 0 "[ . 1 . 2]" 1
1519 1 65 MET H 1 65 MET HB3 2.520 . 2.520 2.448 2.398 2.494 . 0 0 "[ . 1 . 2]" 1
1520 1 65 MET H 1 65 MET HB2 2.850 . 2.850 2.651 2.593 2.720 . 0 0 "[ . 1 . 2]" 1
1521 1 65 MET H 1 67 LYS H 4.360 . 4.360 3.967 3.830 4.102 . 0 0 "[ . 1 . 2]" 1
1522 1 65 MET HB3 1 65 MET ME 3.660 . 3.660 3.766 3.738 3.801 0.141 9 0 "[ . 1 . 2]" 1
1523 1 65 MET HB3 1 66 ASN H 2.930 . 2.930 2.385 2.278 2.483 . 0 0 "[ . 1 . 2]" 1
1524 1 65 MET HB3 1 78 LEU MD1 5.440 . 5.440 4.807 4.512 5.145 . 0 0 "[ . 1 . 2]" 1
1525 1 65 MET HB2 1 66 ASN H 4.560 . 4.560 3.781 3.689 3.852 . 0 0 "[ . 1 . 2]" 1
1526 1 65 MET ME 1 66 ASN HA 5.500 . 5.500 4.807 4.534 5.178 . 0 0 "[ . 1 . 2]" 1
1527 1 65 MET ME 1 69 LEU HB2 5.450 . 5.450 4.994 4.801 5.144 . 0 0 "[ . 1 . 2]" 1
1528 1 65 MET ME 1 69 LEU QD 3.580 . 3.580 2.572 2.213 3.311 . 0 0 "[ . 1 . 2]" 1
1529 1 65 MET ME 1 78 LEU MD2 4.080 . 4.080 3.190 2.719 3.630 . 0 0 "[ . 1 . 2]" 1
1530 1 65 MET HG3 1 69 LEU HG 5.020 . 5.020 3.590 3.214 4.348 . 0 0 "[ . 1 . 2]" 1
1531 1 65 MET HG3 1 78 LEU MD1 5.120 . 5.120 2.652 2.305 3.111 . 0 0 "[ . 1 . 2]" 1
1532 1 65 MET HG2 1 69 LEU HG 5.020 . 5.020 3.531 3.343 3.781 . 0 0 "[ . 1 . 2]" 1
1533 1 65 MET HG2 1 78 LEU MD1 5.120 . 5.120 3.869 3.620 4.190 . 0 0 "[ . 1 . 2]" 1
1534 1 65 MET QG 1 68 GLU H 5.170 . 5.170 5.204 5.186 5.234 0.064 17 0 "[ . 1 . 2]" 1
1535 1 65 MET QG 1 69 LEU QD 3.690 . 3.690 2.245 2.105 2.541 . 0 0 "[ . 1 . 2]" 1
1536 1 65 MET QG 1 78 LEU HG 4.870 . 4.870 4.669 4.319 4.923 0.053 7 0 "[ . 1 . 2]" 1
1537 1 65 MET QG 1 78 LEU MD1 4.290 . 4.290 2.607 2.282 3.031 . 0 0 "[ . 1 . 2]" 1
1538 1 65 MET QG 1 78 LEU MD2 4.070 . 4.070 3.033 2.543 3.347 . 0 0 "[ . 1 . 2]" 1
1539 1 66 ASN HA 1 66 ASN HD22 5.500 . 5.500 4.167 3.490 4.667 . 0 0 "[ . 1 . 2]" 1
1540 1 66 ASN HA 1 69 LEU HG 5.500 . 5.500 3.975 3.410 4.338 . 0 0 "[ . 1 . 2]" 1
1541 1 66 ASN HA 1 69 LEU H 3.630 . 3.630 3.492 3.151 3.627 . 0 0 "[ . 1 . 2]" 1
1542 1 66 ASN HA 1 69 LEU HB3 4.510 . 4.510 3.981 3.492 4.302 . 0 0 "[ . 1 . 2]" 1
1543 1 66 ASN HA 1 69 LEU HB2 4.470 . 4.470 2.428 2.072 2.700 . 0 0 "[ . 1 . 2]" 1
1544 1 66 ASN HA 1 69 LEU QD 3.760 . 3.760 3.068 2.573 3.730 . 0 0 "[ . 1 . 2]" 1
1545 1 66 ASN HA 1 70 LYS H 4.840 . 4.840 4.052 3.917 4.155 . 0 0 "[ . 1 . 2]" 1
1546 1 66 ASN H 1 66 ASN HB3 3.370 . 3.370 3.440 3.392 3.484 0.114 19 0 "[ . 1 . 2]" 1
1547 1 66 ASN H 1 66 ASN HB2 2.580 . 2.580 2.105 2.012 2.218 . 0 0 "[ . 1 . 2]" 1
1548 1 66 ASN H 1 66 ASN HD21 5.000 . 5.000 2.991 2.451 3.782 . 0 0 "[ . 1 . 2]" 1
1549 1 66 ASN H 1 66 ASN HD22 4.130 . 4.130 4.130 4.001 4.252 0.122 10 0 "[ . 1 . 2]" 1
1550 1 66 ASN H 1 67 LYS H 2.890 . 2.890 2.664 2.576 2.730 . 0 0 "[ . 1 . 2]" 1
1551 1 66 ASN H 1 67 LYS QB 5.240 . 5.240 4.582 4.208 4.964 . 0 0 "[ . 1 . 2]" 1
1552 1 66 ASN H 1 69 LEU HG 5.500 . 5.500 5.351 5.146 5.582 0.082 19 0 "[ . 1 . 2]" 1
1553 1 66 ASN H 1 69 LEU HB2 5.500 . 5.500 4.774 4.551 4.952 . 0 0 "[ . 1 . 2]" 1
1554 1 66 ASN HB3 1 67 LYS HA 4.950 . 4.950 4.063 3.906 4.348 . 0 0 "[ . 1 . 2]" 1
1555 1 66 ASN HB3 1 67 LYS H 3.710 . 3.710 3.324 3.166 3.500 . 0 0 "[ . 1 . 2]" 1
1556 1 66 ASN HB2 1 66 ASN HD21 3.600 . 3.600 2.175 2.078 2.711 . 0 0 "[ . 1 . 2]" 1
1557 1 66 ASN HB2 1 67 LYS HA 5.500 . 5.500 4.688 4.313 4.966 . 0 0 "[ . 1 . 2]" 1
1558 1 66 ASN HB2 1 67 LYS H 3.780 . 3.780 2.833 2.503 3.099 . 0 0 "[ . 1 . 2]" 1
1559 1 67 LYS HA 1 68 GLU H 3.550 . 3.550 3.584 3.565 3.614 0.064 6 0 "[ . 1 . 2]" 1
1560 1 67 LYS HA 1 70 LYS H 4.240 . 4.240 3.470 3.260 3.698 . 0 0 "[ . 1 . 2]" 1
1561 1 67 LYS HA 1 70 LYS QB 4.200 . 4.200 3.543 2.755 4.043 . 0 0 "[ . 1 . 2]" 1
1562 1 67 LYS HA 1 70 LYS QD 3.050 . 3.050 2.542 2.140 3.124 0.074 11 0 "[ . 1 . 2]" 1
1563 1 67 LYS HA 1 70 LYS QE 4.350 . 4.350 3.486 1.807 4.374 0.024 17 0 "[ . 1 . 2]" 1
1564 1 67 LYS HA 1 70 LYS QG 4.990 . 4.990 2.371 1.918 3.055 . 0 0 "[ . 1 . 2]" 1
1565 1 67 LYS H 1 67 LYS HA 2.910 . 2.910 2.795 2.738 2.842 . 0 0 "[ . 1 . 2]" 1
1566 1 67 LYS H 1 67 LYS QB 2.830 . 2.830 2.334 2.006 2.609 . 0 0 "[ . 1 . 2]" 1
1567 1 67 LYS H 1 68 GLU H 2.780 . 2.780 2.773 2.714 2.815 0.035 12 0 "[ . 1 . 2]" 1
1568 1 67 LYS H 1 68 GLU HG3 5.500 . 5.500 5.515 5.468 5.539 0.039 20 0 "[ . 1 . 2]" 1
1569 1 67 LYS H 1 68 GLU HG2 4.470 . 4.470 4.229 4.095 4.328 . 0 0 "[ . 1 . 2]" 1
1570 1 67 LYS H 1 69 LEU H 4.760 . 4.760 4.180 4.087 4.237 . 0 0 "[ . 1 . 2]" 1
1571 1 67 LYS H 1 69 LEU QD 5.440 . 5.440 5.264 5.000 5.480 0.040 12 0 "[ . 1 . 2]" 1
1572 1 67 LYS H 1 70 LYS H 4.920 . 4.920 4.662 4.617 4.757 . 0 0 "[ . 1 . 2]" 1
1573 1 67 LYS H 1 70 LYS QB 5.340 . 5.340 5.381 5.164 5.502 0.162 3 0 "[ . 1 . 2]" 1
1574 1 67 LYS H 1 70 LYS QG 5.340 . 5.340 4.381 4.094 4.635 . 0 0 "[ . 1 . 2]" 1
1575 1 67 LYS QB 1 68 GLU H 3.090 . 3.090 2.669 2.370 3.340 0.250 17 0 "[ . 1 . 2]" 1
1576 1 68 GLU HA 1 68 GLU HG3 4.250 . 4.250 3.865 3.811 3.928 . 0 0 "[ . 1 . 2]" 1
1577 1 68 GLU HA 1 71 TYR H 3.720 . 3.720 2.818 2.557 3.009 . 0 0 "[ . 1 . 2]" 1
1578 1 68 GLU HA 1 71 TYR HB3 5.500 . 5.500 4.358 4.190 4.629 . 0 0 "[ . 1 . 2]" 1
1579 1 68 GLU HA 1 71 TYR HB2 4.970 . 4.970 2.637 2.478 2.907 . 0 0 "[ . 1 . 2]" 1
1580 1 68 GLU HA 1 72 CYS HB2 5.340 . 5.340 4.140 3.611 4.587 . 0 0 "[ . 1 . 2]" 1
1581 1 68 GLU HA 1 78 LEU MD1 5.500 . 5.500 5.131 4.856 5.352 . 0 0 "[ . 1 . 2]" 1
1582 1 68 GLU H 1 68 GLU HB3 2.600 . 2.600 2.659 2.643 2.672 0.072 12 0 "[ . 1 . 2]" 1
1583 1 68 GLU H 1 68 GLU HG3 3.140 . 3.140 3.155 3.135 3.181 0.041 5 0 "[ . 1 . 2]" 1
1584 1 68 GLU H 1 68 GLU HG2 2.940 . 2.940 1.997 1.900 2.134 . 0 0 "[ . 1 . 2]" 1
1585 1 68 GLU H 1 69 LEU H 2.550 . 2.550 2.603 2.571 2.655 0.105 17 0 "[ . 1 . 2]" 1
1586 1 68 GLU H 1 69 LEU QD 4.930 . 4.930 4.694 4.033 4.953 0.023 10 0 "[ . 1 . 2]" 1
1587 1 68 GLU H 1 70 LYS H 3.930 . 3.930 3.924 3.882 3.956 0.026 3 0 "[ . 1 . 2]" 1
1588 1 68 GLU H 1 70 LYS QG 5.340 . 5.340 4.569 4.272 5.113 . 0 0 "[ . 1 . 2]" 1
1589 1 68 GLU H 1 78 LEU MD1 4.730 . 4.730 4.480 4.235 4.707 . 0 0 "[ . 1 . 2]" 1
1590 1 68 GLU HB3 1 78 LEU MD1 4.780 . 4.780 4.441 4.271 4.589 . 0 0 "[ . 1 . 2]" 1
1591 1 68 GLU HB2 1 68 GLU HG3 2.880 . 2.880 2.457 2.421 2.492 . 0 0 "[ . 1 . 2]" 1
1592 1 68 GLU QB 1 69 LEU H 3.770 . 3.770 3.544 3.492 3.716 . 0 0 "[ . 1 . 2]" 1
1593 1 68 GLU HB2 1 70 LYS H 5.320 . 5.320 5.360 5.344 5.373 0.053 14 0 "[ . 1 . 2]" 1
1594 1 68 GLU HB2 1 78 LEU MD1 3.770 . 3.770 3.712 3.535 3.811 0.041 7 0 "[ . 1 . 2]" 1
1595 1 68 GLU HG3 1 70 LYS H 5.500 . 5.500 5.328 5.174 5.468 . 0 0 "[ . 1 . 2]" 1
1596 1 68 GLU HG3 1 78 LEU HG 5.500 . 5.500 4.677 4.399 5.028 . 0 0 "[ . 1 . 2]" 1
1597 1 68 GLU HG3 1 78 LEU MD1 4.510 . 4.510 2.071 1.885 2.252 . 0 0 "[ . 1 . 2]" 1
1598 1 68 GLU HG3 1 84 VAL MG1 4.910 . 4.910 4.832 4.689 4.930 0.020 11 0 "[ . 1 . 2]" 1
1599 1 68 GLU HG2 1 78 LEU MD1 5.400 . 5.400 3.226 3.038 3.442 . 0 0 "[ . 1 . 2]" 1
1600 1 68 GLU HG2 1 84 VAL MG2 5.500 . 5.500 4.404 4.305 4.498 . 0 0 "[ . 1 . 2]" 1
1601 1 68 GLU HG2 1 84 VAL MG1 4.390 . 4.390 4.321 4.213 4.401 0.011 18 0 "[ . 1 . 2]" 1
1602 1 69 LEU HA 1 69 LEU HG 3.820 . 3.820 3.120 2.786 3.770 . 0 0 "[ . 1 . 2]" 1
1603 1 69 LEU HA 1 69 LEU QD 3.160 . 3.160 2.016 1.937 2.123 . 0 0 "[ . 1 . 2]" 1
1604 1 69 LEU HA 1 69 LEU MD1 4.430 . 4.430 3.437 2.187 3.858 . 0 0 "[ . 1 . 2]" 1
1605 1 69 LEU HA 1 69 LEU MD2 4.430 . 4.430 2.081 1.977 2.273 . 0 0 "[ . 1 . 2]" 1
1606 1 69 LEU HA 1 72 CYS H 3.710 . 3.710 3.567 3.295 3.775 0.065 19 0 "[ . 1 . 2]" 1
1607 1 69 LEU HA 1 72 CYS HB3 4.300 . 4.300 4.390 4.309 4.484 0.184 3 0 "[ . 1 . 2]" 1
1608 1 69 LEU HA 1 72 CYS HB2 4.200 . 4.200 2.980 2.710 3.280 . 0 0 "[ . 1 . 2]" 1
1609 1 69 LEU HA 1 78 LEU MD1 4.330 . 4.330 3.620 3.146 4.082 . 0 0 "[ . 1 . 2]" 1
1610 1 69 LEU HG 1 78 LEU MD1 4.180 . 4.180 2.640 1.930 4.249 0.069 5 0 "[ . 1 . 2]" 1
1611 1 69 LEU HG 1 78 LEU MD2 4.760 . 4.760 3.386 2.718 4.044 . 0 0 "[ . 1 . 2]" 1
1612 1 69 LEU H 1 69 LEU HG 3.860 . 3.860 2.823 2.348 3.902 0.042 5 0 "[ . 1 . 2]" 1
1613 1 69 LEU H 1 69 LEU HB2 3.260 . 3.260 2.357 2.165 2.463 . 0 0 "[ . 1 . 2]" 1
1614 1 69 LEU H 1 69 LEU QD 3.440 . 3.440 2.964 2.289 3.224 . 0 0 "[ . 1 . 2]" 1
1615 1 69 LEU H 1 69 LEU MD1 4.200 . 4.200 3.712 3.479 4.049 . 0 0 "[ . 1 . 2]" 1
1616 1 69 LEU H 1 69 LEU MD2 4.200 . 4.200 3.235 2.303 3.678 . 0 0 "[ . 1 . 2]" 1
1617 1 69 LEU H 1 70 LYS H 2.900 . 2.900 2.906 2.844 2.922 0.022 3 0 "[ . 1 . 2]" 1
1618 1 69 LEU H 1 70 LYS QG 4.970 . 4.970 4.474 4.327 4.644 . 0 0 "[ . 1 . 2]" 1
1619 1 69 LEU H 1 71 TYR H 5.040 . 5.040 4.306 4.203 4.463 . 0 0 "[ . 1 . 2]" 1
1620 1 69 LEU H 1 72 CYS H 5.070 . 5.070 4.668 4.487 4.980 . 0 0 "[ . 1 . 2]" 1
1621 1 69 LEU H 1 72 CYS HB2 4.560 . 4.560 4.564 4.481 4.634 0.074 9 0 "[ . 1 . 2]" 1
1622 1 69 LEU H 1 78 LEU MD1 3.940 . 3.940 3.375 3.092 3.768 . 0 0 "[ . 1 . 2]" 1
1623 1 69 LEU HB2 1 78 LEU MD1 5.500 . 5.500 4.282 4.048 4.639 . 0 0 "[ . 1 . 2]" 1
1624 1 69 LEU HB2 1 78 LEU MD2 5.500 . 5.500 5.166 4.810 5.414 . 0 0 "[ . 1 . 2]" 1
1625 1 69 LEU HB2 1 70 LYS H 3.600 . 3.600 3.139 2.971 3.302 . 0 0 "[ . 1 . 2]" 1
1626 1 69 LEU HB2 1 71 TYR H 5.500 . 5.500 5.276 5.061 5.409 . 0 0 "[ . 1 . 2]" 1
1627 1 69 LEU QD 1 70 LYS H 4.720 . 4.720 4.296 4.097 4.411 . 0 0 "[ . 1 . 2]" 1
1628 1 69 LEU QD 1 72 CYS H 5.500 . 5.500 4.778 4.565 4.999 . 0 0 "[ . 1 . 2]" 1
1629 1 69 LEU QD 1 72 CYS HB3 4.890 . 4.890 4.512 4.245 4.706 . 0 0 "[ . 1 . 2]" 1
1630 1 69 LEU QD 1 72 CYS HB2 4.940 . 4.940 3.749 3.328 3.988 . 0 0 "[ . 1 . 2]" 1
1631 1 69 LEU QD 1 75 PRO HA 3.960 . 3.960 2.902 2.475 3.389 . 0 0 "[ . 1 . 2]" 1
1632 1 69 LEU QD 1 75 PRO HB3 4.160 . 4.160 2.395 2.024 3.048 . 0 0 "[ . 1 . 2]" 1
1633 1 69 LEU QD 1 75 PRO HB2 4.460 . 4.460 3.779 3.498 4.366 . 0 0 "[ . 1 . 2]" 1
1634 1 69 LEU QD 1 75 PRO QG 4.930 . 4.930 3.342 3.080 3.839 . 0 0 "[ . 1 . 2]" 1
1635 1 69 LEU QD 1 76 GLU H 5.420 . 5.420 5.135 4.688 5.424 0.004 3 0 "[ . 1 . 2]" 1
1636 1 69 LEU QD 1 77 ASP H 5.440 . 5.440 5.057 4.691 5.388 . 0 0 "[ . 1 . 2]" 1
1637 1 69 LEU QD 1 78 LEU H 5.440 . 5.440 4.655 4.279 4.895 . 0 0 "[ . 1 . 2]" 1
1638 1 69 LEU QD 1 78 LEU MD1 3.560 . 3.560 2.152 1.850 2.709 . 0 0 "[ . 1 . 2]" 1
1639 1 69 LEU QD 1 78 LEU MD2 3.950 . 3.950 1.863 1.791 1.954 0.009 14 0 "[ . 1 . 2]" 1
1640 1 69 LEU MD1 1 70 LYS H 5.500 . 5.500 4.916 4.780 5.096 . 0 0 "[ . 1 . 2]" 1
1641 1 69 LEU MD1 1 78 LEU HB3 5.500 . 5.500 5.233 4.747 5.547 0.047 10 0 "[ . 1 . 2]" 1
1642 1 69 LEU MD1 1 78 LEU MD1 4.410 . 4.410 3.246 2.842 3.750 . 0 0 "[ . 1 . 2]" 1
1643 1 69 LEU MD2 1 70 LYS H 5.500 . 5.500 4.750 4.423 4.888 . 0 0 "[ . 1 . 2]" 1
1644 1 69 LEU MD2 1 78 LEU HB3 5.500 . 5.500 3.763 3.489 4.124 . 0 0 "[ . 1 . 2]" 1
1645 1 69 LEU MD2 1 78 LEU MD1 4.410 . 4.410 2.202 1.856 2.863 . 0 0 "[ . 1 . 2]" 1
1646 1 70 LYS HA 1 70 LYS QD 4.450 . 4.450 4.279 3.912 4.512 0.062 2 0 "[ . 1 . 2]" 1
1647 1 70 LYS HA 1 70 LYS QE 4.960 . 4.960 4.681 4.023 5.220 0.260 11 0 "[ . 1 . 2]" 1
1648 1 70 LYS HA 1 70 LYS HG3 4.040 . 4.040 3.497 3.037 3.799 . 0 0 "[ . 1 . 2]" 1
1649 1 70 LYS HA 1 70 LYS HG2 4.040 . 4.040 3.308 2.446 3.866 . 0 0 "[ . 1 . 2]" 1
1650 1 70 LYS HA 1 71 TYR QD 5.500 . 5.500 4.451 4.021 5.069 . 0 0 "[ . 1 . 2]" 1
1651 1 70 LYS HA 1 71 TYR QE 5.500 . 5.500 5.622 5.504 5.721 0.221 17 0 "[ . 1 . 2]" 1
1652 1 70 LYS HA 1 72 CYS H 4.410 . 4.410 4.369 3.979 4.477 0.067 16 0 "[ . 1 . 2]" 1
1653 1 70 LYS H 1 70 LYS QB 2.750 . 2.750 2.490 2.306 2.613 . 0 0 "[ . 1 . 2]" 1
1654 1 70 LYS H 1 70 LYS QE 5.500 . 5.500 4.516 3.691 5.223 . 0 0 "[ . 1 . 2]" 1
1655 1 70 LYS H 1 70 LYS HG3 3.940 . 3.940 2.978 2.155 3.667 . 0 0 "[ . 1 . 2]" 1
1656 1 70 LYS H 1 70 LYS HG2 3.940 . 3.940 2.630 2.124 3.487 . 0 0 "[ . 1 . 2]" 1
1657 1 70 LYS H 1 70 LYS QG 3.130 . 3.130 2.193 2.097 2.310 . 0 0 "[ . 1 . 2]" 1
1658 1 70 LYS H 1 72 CYS H 4.270 . 4.270 3.842 3.680 3.935 . 0 0 "[ . 1 . 2]" 1
1659 1 70 LYS H 1 72 CYS HB2 5.500 . 5.500 5.094 4.989 5.315 . 0 0 "[ . 1 . 2]" 1
1660 1 70 LYS HB3 1 70 LYS QD 3.160 . 3.160 2.516 2.243 3.040 . 0 0 "[ . 1 . 2]" 1
1661 1 70 LYS HB2 1 70 LYS QD 3.160 . 3.160 2.554 2.222 3.078 . 0 0 "[ . 1 . 2]" 1
1662 1 70 LYS QB 1 70 LYS QD 2.450 . 2.450 2.200 2.012 2.337 . 0 0 "[ . 1 . 2]" 1
1663 1 70 LYS QB 1 70 LYS QE 3.960 . 3.960 2.729 1.843 3.555 . 0 0 "[ . 1 . 2]" 1
1664 1 70 LYS QB 1 71 TYR H 3.980 . 3.980 3.180 2.134 3.781 . 0 0 "[ . 1 . 2]" 1
1665 1 70 LYS QB 1 71 TYR QD 4.500 . 4.500 3.200 1.878 4.315 . 0 0 "[ . 1 . 2]" 1
1666 1 70 LYS QB 1 71 TYR QE 5.030 . 5.030 3.548 2.772 4.185 . 0 0 "[ . 1 . 2]" 1
1667 1 70 LYS QD 1 71 TYR QD 3.680 . 3.680 3.746 3.685 3.806 0.126 16 0 "[ . 1 . 2]" 1
1668 1 70 LYS QD 1 71 TYR QE 3.290 . 3.290 2.827 2.500 3.104 . 0 0 "[ . 1 . 2]" 1
1669 1 70 LYS QE 1 71 TYR QE 4.860 . 4.860 3.632 2.064 4.893 0.033 6 0 "[ . 1 . 2]" 1
1670 1 70 LYS HG3 1 71 TYR H 4.670 . 4.670 3.351 2.679 4.154 . 0 0 "[ . 1 . 2]" 1
1671 1 70 LYS HG2 1 71 TYR H 4.670 . 4.670 3.530 2.508 4.772 0.102 1 0 "[ . 1 . 2]" 1
1672 1 70 LYS QG 1 71 TYR QD 4.700 . 4.700 2.964 1.852 4.437 . 0 0 "[ . 1 . 2]" 1
1673 1 70 LYS QG 1 71 TYR QE 4.840 . 4.840 3.191 2.189 4.508 . 0 0 "[ . 1 . 2]" 1
1674 1 70 LYS QG 1 72 CYS H 5.340 . 5.340 4.851 4.369 5.446 0.106 4 0 "[ . 1 . 2]" 1
1675 1 71 TYR HA 1 71 TYR QD 3.080 . 3.080 2.210 1.906 3.031 . 0 0 "[ . 1 . 2]" 1
1676 1 71 TYR HA 1 71 TYR QE 5.000 . 5.000 4.333 4.100 4.641 . 0 0 "[ . 1 . 2]" 1
1677 1 71 TYR H 1 71 TYR HB3 3.740 . 3.740 3.670 3.613 3.729 . 0 0 "[ . 1 . 2]" 1
1678 1 71 TYR H 1 71 TYR HB2 2.730 . 2.730 2.505 2.398 2.629 . 0 0 "[ . 1 . 2]" 1
1679 1 71 TYR H 1 72 CYS H 2.630 . 2.630 2.344 2.177 2.626 . 0 0 "[ . 1 . 2]" 1
1680 1 71 TYR H 1 73 LYS QG 5.340 . 5.340 4.877 4.114 5.452 0.112 10 0 "[ . 1 . 2]" 1
1681 1 71 TYR HB3 1 72 CYS H 4.430 . 4.430 3.939 3.740 4.374 . 0 0 "[ . 1 . 2]" 1
1682 1 71 TYR QD 1 73 LYS QG 5.340 . 5.340 5.254 4.697 5.498 0.158 9 0 "[ . 1 . 2]" 1
1683 1 72 CYS HA 1 74 ASN H 4.230 . 4.230 3.812 3.083 4.112 . 0 0 "[ . 1 . 2]" 1
1684 1 72 CYS H 1 72 CYS HB2 2.590 . 2.590 2.349 2.183 2.592 0.002 1 0 "[ . 1 . 2]" 1
1685 1 72 CYS H 1 73 LYS H 4.430 . 4.430 2.503 1.952 3.979 . 0 0 "[ . 1 . 2]" 1
1686 1 72 CYS H 1 73 LYS QD 4.760 . 4.760 4.512 3.225 4.910 0.150 19 0 "[ . 1 . 2]" 1
1687 1 72 CYS H 1 73 LYS QG 4.550 . 4.550 4.027 2.954 4.616 0.066 15 0 "[ . 1 . 2]" 1
1688 1 72 CYS H 1 74 ASN H 5.500 . 5.500 4.885 4.400 5.298 . 0 0 "[ . 1 . 2]" 1
1689 1 72 CYS HB3 1 73 LYS H 4.440 . 4.440 3.593 3.152 4.012 . 0 0 "[ . 1 . 2]" 1
1690 1 72 CYS HB3 1 74 ASN H 3.370 . 3.370 3.201 2.371 3.399 0.029 11 0 "[ . 1 . 2]" 1
1691 1 72 CYS HB3 1 75 PRO HA 5.350 . 5.350 4.474 3.642 4.915 . 0 0 "[ . 1 . 2]" 1
1692 1 72 CYS HB3 1 78 LEU MD1 5.500 . 5.500 5.164 4.379 5.505 0.005 15 0 "[ . 1 . 2]" 1
1693 1 72 CYS HB2 1 75 PRO HA 5.060 . 5.060 4.741 4.021 5.099 0.039 3 0 "[ . 1 . 2]" 1
1694 1 72 CYS HB2 1 78 LEU MD1 5.210 . 5.210 4.454 3.501 4.809 . 0 0 "[ . 1 . 2]" 1
1695 1 73 LYS HA 1 73 LYS QD 4.160 . 4.160 3.030 2.011 4.145 . 0 0 "[ . 1 . 2]" 1
1696 1 73 LYS HA 1 73 LYS QE 4.960 . 4.960 4.203 2.435 4.938 . 0 0 "[ . 1 . 2]" 1
1697 1 73 LYS HA 1 73 LYS QG 3.680 . 3.680 2.616 2.352 2.967 . 0 0 "[ . 1 . 2]" 1
1698 1 73 LYS H 1 73 LYS QB 3.610 . 3.610 3.177 2.319 3.437 . 0 0 "[ . 1 . 2]" 1
1699 1 73 LYS H 1 73 LYS QG 4.300 . 4.300 2.780 2.073 3.281 . 0 0 "[ . 1 . 2]" 1
1700 1 73 LYS H 1 74 ASN H 3.370 . 3.370 3.121 2.400 3.409 0.039 4 0 "[ . 1 . 2]" 1
1701 1 73 LYS QB 1 73 LYS QD 3.110 . 3.110 2.325 2.083 2.887 . 0 0 "[ . 1 . 2]" 1
1702 1 73 LYS QB 1 74 ASN HA 5.500 . 5.500 4.161 3.973 4.486 . 0 0 "[ . 1 . 2]" 1
1703 1 73 LYS QB 1 74 ASN HB3 5.500 . 5.500 4.890 3.727 5.506 0.006 14 0 "[ . 1 . 2]" 1
1704 1 73 LYS QB 1 74 ASN HB2 5.500 . 5.500 4.677 4.041 5.434 . 0 0 "[ . 1 . 2]" 1
1705 1 73 LYS QB 1 74 ASN QB 4.740 . 4.740 4.100 3.637 4.461 . 0 0 "[ . 1 . 2]" 1
1706 1 73 LYS QB 1 74 ASN HD21 4.540 . 4.540 3.797 2.842 4.633 0.093 13 0 "[ . 1 . 2]" 1
1707 1 73 LYS QB 1 74 ASN HD22 4.540 . 4.540 4.133 3.303 4.578 0.038 5 0 "[ . 1 . 2]" 1
1708 1 73 LYS QB 1 74 ASN QD 3.790 . 3.790 3.428 2.733 3.852 0.062 16 0 "[ . 1 . 2]" 1
1709 1 73 LYS QE 1 73 LYS QG 3.410 . 3.410 2.334 2.094 2.841 . 0 0 "[ . 1 . 2]" 1
1710 1 74 ASN HA 1 74 ASN QD 4.420 . 4.420 3.592 1.990 4.117 . 0 0 "[ . 1 . 2]" 1
1711 1 74 ASN HA 1 75 PRO HD3 3.250 . 3.250 2.307 2.133 2.550 . 0 0 "[ . 1 . 2]" 1
1712 1 74 ASN HA 1 75 PRO HD2 3.250 . 3.250 2.145 2.070 2.243 . 0 0 "[ . 1 . 2]" 1
1713 1 74 ASN HA 1 75 PRO QG 4.540 . 4.540 3.852 3.768 3.933 . 0 0 "[ . 1 . 2]" 1
1714 1 74 ASN HA 1 76 GLU H 4.100 . 4.100 3.636 3.451 3.846 . 0 0 "[ . 1 . 2]" 1
1715 1 74 ASN H 1 75 PRO QD 4.610 . 4.610 4.129 3.765 4.352 . 0 0 "[ . 1 . 2]" 1
1716 1 74 ASN HB3 1 75 PRO HD3 5.400 . 5.400 4.455 3.974 4.748 . 0 0 "[ . 1 . 2]" 1
1717 1 74 ASN HB3 1 75 PRO HD2 5.400 . 5.400 3.471 2.713 4.209 . 0 0 "[ . 1 . 2]" 1
1718 1 74 ASN HB2 1 75 PRO HD3 5.400 . 5.400 4.780 4.152 5.139 . 0 0 "[ . 1 . 2]" 1
1719 1 74 ASN HB2 1 75 PRO HD2 5.400 . 5.400 4.022 2.903 4.781 . 0 0 "[ . 1 . 2]" 1
1720 1 74 ASN QB 1 74 ASN QD 2.890 . 2.890 2.203 2.099 2.700 . 0 0 "[ . 1 . 2]" 1
1721 1 74 ASN QB 1 75 PRO QD 3.880 . 3.880 3.000 2.632 3.475 . 0 0 "[ . 1 . 2]" 1
1722 1 75 PRO HA 1 77 ASP H 3.430 . 3.430 2.889 2.801 2.964 . 0 0 "[ . 1 . 2]" 1
1723 1 75 PRO HA 1 78 LEU H 3.320 . 3.320 2.715 2.505 2.871 . 0 0 "[ . 1 . 2]" 1
1724 1 75 PRO HA 1 78 LEU HG 4.620 . 4.620 4.553 4.352 4.660 0.040 9 0 "[ . 1 . 2]" 1
1725 1 75 PRO HA 1 78 LEU HB3 5.500 . 5.500 2.533 2.295 2.755 . 0 0 "[ . 1 . 2]" 1
1726 1 75 PRO HA 1 78 LEU HB2 4.800 . 4.800 1.953 1.893 2.050 . 0 0 "[ . 1 . 2]" 1
1727 1 75 PRO HA 1 78 LEU MD1 4.140 . 4.140 3.723 3.574 3.955 . 0 0 "[ . 1 . 2]" 1
1728 1 75 PRO HA 1 78 LEU MD2 5.090 . 5.090 3.149 2.979 3.317 . 0 0 "[ . 1 . 2]" 1
1729 1 75 PRO HB3 1 77 ASP H 4.570 . 4.570 4.759 4.720 4.795 0.225 4 0 "[ . 1 . 2]" 1
1730 1 75 PRO HB3 1 78 LEU HG 4.530 . 4.530 4.652 4.574 4.711 0.181 11 0 "[ . 1 . 2]" 1
1731 1 75 PRO HB3 1 78 LEU H 4.750 . 4.750 4.301 4.169 4.459 . 0 0 "[ . 1 . 2]" 1
1732 1 75 PRO HB3 1 78 LEU MD1 4.740 . 4.740 3.947 3.678 4.360 . 0 0 "[ . 1 . 2]" 1
1733 1 75 PRO HB2 1 76 GLU H 3.550 . 3.550 3.556 3.325 3.640 0.090 12 0 "[ . 1 . 2]" 1
1734 1 75 PRO HB2 1 78 LEU H 3.770 . 3.770 3.843 3.781 3.939 0.169 14 0 "[ . 1 . 2]" 1
1735 1 75 PRO QD 1 76 GLU H 3.830 . 3.830 2.922 2.730 3.193 . 0 0 "[ . 1 . 2]" 1
1736 1 76 GLU HA 1 77 ASP H 3.140 . 3.140 3.213 3.166 3.287 0.147 3 0 "[ . 1 . 2]" 1
1737 1 76 GLU H 1 76 GLU QB 2.480 . 2.480 2.197 2.130 2.285 . 0 0 "[ . 1 . 2]" 1
1738 1 76 GLU H 1 76 GLU HA 2.750 . 2.750 2.802 2.758 2.841 0.091 10 0 "[ . 1 . 2]" 1
1739 1 76 GLU H 1 77 ASP HA 5.490 . 5.490 5.152 4.994 5.260 . 0 0 "[ . 1 . 2]" 1
1740 1 76 GLU H 1 77 ASP H 2.500 . 2.500 2.417 2.269 2.499 . 0 0 "[ . 1 . 2]" 1
1741 1 76 GLU H 1 78 LEU H 3.740 . 3.740 3.811 3.760 3.852 0.112 17 0 "[ . 1 . 2]" 1
1742 1 76 GLU QB 1 77 ASP H 3.280 . 3.280 3.128 2.855 3.293 0.013 15 0 "[ . 1 . 2]" 1
1743 1 77 ASP HA 1 78 LEU H 3.530 . 3.530 3.257 3.132 3.393 . 0 0 "[ . 1 . 2]" 1
1744 1 77 ASP H 1 78 LEU H 2.600 . 2.600 1.993 1.863 2.131 . 0 0 "[ . 1 . 2]" 1
1745 1 77 ASP H 1 78 LEU HB3 5.130 . 5.130 3.838 3.658 4.068 . 0 0 "[ . 1 . 2]" 1
1746 1 77 ASP H 1 78 LEU HB2 3.830 . 3.830 3.764 3.567 3.891 0.061 3 0 "[ . 1 . 2]" 1
1747 1 77 ASP QB 1 78 LEU H 3.440 . 3.440 3.439 3.206 3.520 0.080 18 0 "[ . 1 . 2]" 1
1748 1 78 LEU HA 1 78 LEU HG 4.220 . 4.220 2.889 2.750 3.071 . 0 0 "[ . 1 . 2]" 1
1749 1 78 LEU HA 1 78 LEU MD1 3.200 . 3.200 2.268 2.152 2.443 . 0 0 "[ . 1 . 2]" 1
1750 1 78 LEU HG 1 79 GLU H 4.700 . 4.700 3.588 3.252 3.756 . 0 0 "[ . 1 . 2]" 1
1751 1 78 LEU H 1 78 LEU HA 2.890 . 2.890 2.856 2.813 2.872 . 0 0 "[ . 1 . 2]" 1
1752 1 78 LEU H 1 78 LEU HG 4.000 . 4.000 4.093 4.062 4.121 0.121 1 0 "[ . 1 . 2]" 1
1753 1 78 LEU H 1 78 LEU HB2 2.580 . 2.580 2.578 2.430 2.636 0.056 19 0 "[ . 1 . 2]" 1
1754 1 78 LEU H 1 78 LEU MD1 4.200 . 4.200 4.150 4.016 4.210 0.010 4 0 "[ . 1 . 2]" 1
1755 1 78 LEU H 1 78 LEU MD2 4.610 . 4.610 4.033 3.921 4.098 . 0 0 "[ . 1 . 2]" 1
1756 1 78 LEU H 1 79 GLU H 3.870 . 3.870 4.013 3.968 4.084 0.214 10 0 "[ . 1 . 2]" 1
1757 1 78 LEU HB3 1 79 GLU H 4.200 . 4.200 4.275 4.252 4.293 0.093 7 0 "[ . 1 . 2]" 1
1758 1 78 LEU HB2 1 78 LEU MD1 3.670 . 3.670 2.265 2.212 2.352 . 0 0 "[ . 1 . 2]" 1
1759 1 78 LEU HB2 1 78 LEU MD2 3.560 . 3.560 2.499 2.416 2.562 . 0 0 "[ . 1 . 2]" 1
1760 1 79 GLU HA 1 79 GLU HG2 4.100 . 4.100 3.739 3.675 3.835 . 0 0 "[ . 1 . 2]" 1
1761 1 79 GLU HA 1 80 CYS H 2.610 . 2.610 2.186 2.129 2.221 . 0 0 "[ . 1 . 2]" 1
1762 1 79 GLU H 1 79 GLU HG3 4.840 . 4.840 4.205 4.135 4.269 . 0 0 "[ . 1 . 2]" 1
1763 1 79 GLU H 1 80 CYS H 4.500 . 4.500 4.173 4.107 4.211 . 0 0 "[ . 1 . 2]" 1
1764 1 79 GLU H 1 81 ASN H 4.000 . 4.000 4.120 4.083 4.157 0.157 14 0 "[ . 1 . 2]" 1
1765 1 79 GLU H 1 79 GLU QB 3.500 . 3.500 2.387 2.313 2.444 . 0 0 "[ . 1 . 2]" 1
1766 1 79 GLU HB3 1 80 CYS H 3.790 . 3.790 3.852 3.821 3.880 0.090 10 0 "[ . 1 . 2]" 1
1767 1 79 GLU HB3 1 81 ASN H 3.420 . 3.420 3.457 3.430 3.483 0.063 8 0 "[ . 1 . 2]" 1
1768 1 79 GLU HG3 1 81 ASN H 4.920 . 4.920 3.018 2.803 3.278 . 0 0 "[ . 1 . 2]" 1
1769 1 79 GLU HG3 1 81 ASN HD21 5.220 . 5.220 3.262 3.077 3.389 . 0 0 "[ . 1 . 2]" 1
1770 1 79 GLU HG3 1 81 ASN HD22 4.970 . 4.970 4.942 4.770 5.060 0.090 10 0 "[ . 1 . 2]" 1
1771 1 79 GLU H 1 79 GLU HG2 4.500 . 4.500 4.643 4.602 4.683 0.183 4 0 "[ . 1 . 2]" 1
1772 1 79 GLU HG2 1 80 CYS H 4.140 . 4.140 4.135 4.010 4.221 0.081 9 0 "[ . 1 . 2]" 1
1773 1 79 GLU HG2 1 81 ASN HD21 5.080 . 5.080 3.588 3.501 3.662 . 0 0 "[ . 1 . 2]" 1
1774 1 79 GLU HG2 1 81 ASN HD22 5.160 . 5.160 5.189 5.077 5.255 0.095 3 0 "[ . 1 . 2]" 1
1775 1 80 CYS HA 1 81 ASN H 2.500 . 2.500 2.234 2.185 2.290 . 0 0 "[ . 1 . 2]" 1
1776 1 80 CYS HA 1 84 VAL H 4.990 . 4.990 4.856 4.713 5.006 0.016 15 0 "[ . 1 . 2]" 1
1777 1 80 CYS HA 1 84 VAL MG2 4.150 . 4.150 3.110 2.845 3.409 . 0 0 "[ . 1 . 2]" 1
1778 1 80 CYS HA 1 84 VAL MG1 3.740 . 3.740 2.374 2.234 2.518 . 0 0 "[ . 1 . 2]" 1
1779 1 80 CYS HA 1 85 LYS H 5.030 . 5.030 4.508 4.381 4.615 . 0 0 "[ . 1 . 2]" 1
1780 1 80 CYS H 1 80 CYS HB3 2.970 . 2.970 2.491 2.373 2.574 . 0 0 "[ . 1 . 2]" 1
1781 1 80 CYS H 1 80 CYS HB2 3.170 . 3.170 2.944 2.878 3.014 . 0 0 "[ . 1 . 2]" 1
1782 1 80 CYS H 1 81 ASN H 3.580 . 3.580 3.621 3.590 3.651 0.071 5 0 "[ . 1 . 2]" 1
1783 1 80 CYS H 1 84 VAL MG1 5.500 . 5.500 4.683 4.534 4.844 . 0 0 "[ . 1 . 2]" 1
1784 1 80 CYS HB3 1 81 ASN HA 5.500 . 5.500 4.848 4.721 4.938 . 0 0 "[ . 1 . 2]" 1
1785 1 80 CYS HB3 1 84 VAL MG1 5.500 . 5.500 4.777 4.575 4.946 . 0 0 "[ . 1 . 2]" 1
1786 1 80 CYS HB2 1 81 ASN H 4.430 . 4.430 4.481 4.449 4.522 0.092 2 0 "[ . 1 . 2]" 1
1787 1 80 CYS HB2 1 84 VAL MG1 5.500 . 5.500 3.721 3.463 3.926 . 0 0 "[ . 1 . 2]" 1
1788 1 81 ASN HA 1 81 ASN HD22 5.250 . 5.250 5.101 5.046 5.148 . 0 0 "[ . 1 . 2]" 1
1789 1 81 ASN HA 1 82 GLU QB 5.470 . 5.470 4.486 4.054 4.743 . 0 0 "[ . 1 . 2]" 1
1790 1 81 ASN HA 1 82 GLU QG 5.500 . 5.500 4.562 3.749 5.664 0.164 1 0 "[ . 1 . 2]" 1
1791 1 81 ASN HA 1 84 VAL H 5.240 . 5.240 4.735 4.672 4.780 . 0 0 "[ . 1 . 2]" 1
1792 1 81 ASN HA 1 85 LYS QD 5.500 . 5.500 4.420 4.249 4.612 . 0 0 "[ . 1 . 2]" 1
1793 1 81 ASN HA 1 85 LYS QG 5.340 . 5.340 3.912 3.817 4.121 . 0 0 "[ . 1 . 2]" 1
1794 1 81 ASN H 1 81 ASN HB3 3.270 . 3.270 2.811 2.775 2.876 . 0 0 "[ . 1 . 2]" 1
1795 1 81 ASN H 1 81 ASN HB2 4.050 . 4.050 3.728 3.692 3.773 . 0 0 "[ . 1 . 2]" 1
1796 1 81 ASN H 1 81 ASN HD21 3.640 . 3.640 2.459 2.312 2.589 . 0 0 "[ . 1 . 2]" 1
1797 1 81 ASN H 1 81 ASN HD22 3.930 . 3.930 3.421 3.251 3.569 . 0 0 "[ . 1 . 2]" 1
1798 1 81 ASN H 1 82 GLU HA 5.490 . 5.490 5.584 5.533 5.630 0.140 10 0 "[ . 1 . 2]" 1
1799 1 81 ASN H 1 82 GLU H 4.660 . 4.660 4.355 4.303 4.421 . 0 0 "[ . 1 . 2]" 1
1800 1 81 ASN H 1 83 ASN H 5.500 . 5.500 5.005 4.904 5.076 . 0 0 "[ . 1 . 2]" 1
1801 1 81 ASN H 1 84 VAL HA 4.900 . 4.900 4.866 4.807 4.917 0.017 5 0 "[ . 1 . 2]" 1
1802 1 81 ASN H 1 84 VAL HB 2.540 . 2.540 2.046 1.925 2.170 . 0 0 "[ . 1 . 2]" 1
1803 1 81 ASN H 1 84 VAL H 3.270 . 3.270 3.338 3.295 3.368 0.098 15 0 "[ . 1 . 2]" 1
1804 1 81 ASN H 1 84 VAL MG1 3.720 . 3.720 3.305 3.146 3.481 . 0 0 "[ . 1 . 2]" 1
1805 1 81 ASN H 1 84 VAL MG2 2.990 . 2.990 2.619 2.410 2.771 . 0 0 "[ . 1 . 2]" 1
1806 1 81 ASN H 1 85 LYS H 3.900 . 3.900 3.922 3.815 3.960 0.060 8 0 "[ . 1 . 2]" 1
1807 1 81 ASN H 1 85 LYS QE 5.340 . 5.340 4.264 4.083 4.610 . 0 0 "[ . 1 . 2]" 1
1808 1 81 ASN HB3 1 82 GLU H 3.950 . 3.950 3.478 3.419 3.583 . 0 0 "[ . 1 . 2]" 1
1809 1 81 ASN HB2 1 82 GLU H 3.150 . 3.150 1.958 1.864 2.102 . 0 0 "[ . 1 . 2]" 1
1810 1 81 ASN HB2 1 83 ASN H 5.040 . 5.040 3.532 3.465 3.607 . 0 0 "[ . 1 . 2]" 1
1811 1 81 ASN HD21 1 82 GLU QB 5.500 . 5.500 5.665 5.621 5.708 0.208 20 0 "[ . 1 . 2]" 1
1812 1 81 ASN HD21 1 83 ASN QB 3.190 . 3.590 3.861 3.814 3.901 0.311 5 0 "[ . 1 . 2]" 1
1813 1 81 ASN HD21 1 84 VAL H 4.360 . 4.360 3.665 3.569 3.758 . 0 0 "[ . 1 . 2]" 1
1814 1 81 ASN HD21 1 84 VAL MG1 5.500 . 5.500 4.586 4.466 4.721 . 0 0 "[ . 1 . 2]" 1
1815 1 81 ASN HD21 1 85 LYS H 5.500 . 5.500 5.545 5.526 5.588 0.088 15 0 "[ . 1 . 2]" 1
1816 1 81 ASN HD22 1 82 GLU H 5.500 . 5.500 5.019 4.863 5.165 . 0 0 "[ . 1 . 2]" 1
1817 1 81 ASN HD22 1 82 GLU QB 5.240 . 5.240 5.341 5.304 5.389 0.149 20 0 "[ . 1 . 2]" 1
1818 1 81 ASN HD22 1 84 VAL H 5.500 . 5.500 2.830 2.707 2.924 . 0 0 "[ . 1 . 2]" 1
1819 1 81 ASN HD22 1 84 VAL MG2 5.450 . 5.450 1.919 1.862 1.983 . 0 0 "[ . 1 . 2]" 1
1820 1 81 ASN OD1 1 84 VAL H 2.000 . 2.000 2.238 2.219 2.260 0.260 20 0 "[ . 1 . 2]" 1
1821 1 81 ASN OD1 1 84 VAL N 3.000 . 3.000 3.148 3.133 3.172 0.172 4 0 "[ . 1 . 2]" 1
1822 1 82 GLU HA 1 82 GLU QG 3.550 . 3.550 2.446 2.247 2.775 . 0 0 "[ . 1 . 2]" 1
1823 1 82 GLU HA 1 85 LYS HA 5.500 . 5.500 5.405 5.201 5.562 0.062 19 0 "[ . 1 . 2]" 1
1824 1 82 GLU HA 1 85 LYS H 3.720 . 3.720 3.589 3.393 3.729 0.009 9 0 "[ . 1 . 2]" 1
1825 1 82 GLU HA 1 85 LYS HB3 4.930 . 4.930 4.226 4.012 4.429 . 0 0 "[ . 1 . 2]" 1
1826 1 82 GLU HA 1 85 LYS HB2 4.190 . 4.190 2.662 2.410 2.821 . 0 0 "[ . 1 . 2]" 1
1827 1 82 GLU HA 1 85 LYS QD 4.090 . 4.090 2.381 2.045 4.123 0.033 17 0 "[ . 1 . 2]" 1
1828 1 82 GLU HA 1 85 LYS QE 5.210 . 5.210 3.407 2.162 3.803 . 0 0 "[ . 1 . 2]" 1
1829 1 82 GLU HA 1 85 LYS QG 5.340 . 5.340 3.417 3.149 3.782 . 0 0 "[ . 1 . 2]" 1
1830 1 82 GLU HA 1 86 HIS H 3.960 . 3.960 3.910 3.674 4.004 0.044 19 0 "[ . 1 . 2]" 1
1831 1 82 GLU H 1 82 GLU QB 3.140 . 3.140 2.006 1.894 2.143 . 0 0 "[ . 1 . 2]" 1
1832 1 82 GLU H 1 82 GLU QG 3.850 . 3.850 2.568 1.794 3.692 0.006 9 0 "[ . 1 . 2]" 1
1833 1 82 GLU H 1 83 ASN H 3.780 . 3.780 2.903 2.702 3.028 . 0 0 "[ . 1 . 2]" 1
1834 1 82 GLU H 1 84 VAL H 5.070 . 5.070 4.167 4.005 4.311 . 0 0 "[ . 1 . 2]" 1
1835 1 82 GLU H 1 85 LYS H 4.660 . 4.660 4.505 4.435 4.572 . 0 0 "[ . 1 . 2]" 1
1836 1 82 GLU QB 1 83 ASN H 3.290 . 3.290 2.067 1.837 2.245 . 0 0 "[ . 1 . 2]" 1
1837 1 82 GLU QB 1 84 VAL H 5.130 . 5.130 4.300 4.187 4.381 . 0 0 "[ . 1 . 2]" 1
1838 1 82 GLU QB 1 85 LYS H 5.380 . 5.380 4.731 4.630 4.841 . 0 0 "[ . 1 . 2]" 1
1839 1 82 GLU QB 1 86 HIS QB 5.500 . 5.500 4.278 3.982 4.824 . 0 0 "[ . 1 . 2]" 1
1840 1 82 GLU QG 1 85 LYS H 5.410 . 5.410 5.454 5.081 5.545 0.135 15 0 "[ . 1 . 2]" 1
1841 1 83 ASN HA 1 85 LYS H 5.400 . 5.400 4.730 4.655 4.846 . 0 0 "[ . 1 . 2]" 1
1842 1 83 ASN HA 1 86 HIS QB 3.600 . 3.600 2.744 2.582 3.046 . 0 0 "[ . 1 . 2]" 1
1843 1 83 ASN H 1 83 ASN HB3 3.660 . 3.660 2.990 2.424 3.642 . 0 0 "[ . 1 . 2]" 1
1844 1 83 ASN H 1 83 ASN HB2 3.660 . 3.660 2.463 2.313 2.573 . 0 0 "[ . 1 . 2]" 1
1845 1 83 ASN H 1 83 ASN QB 3.060 . 3.060 2.301 2.167 2.496 . 0 0 "[ . 1 . 2]" 1
1846 1 83 ASN H 1 84 VAL H 3.430 . 3.430 2.729 2.675 2.817 . 0 0 "[ . 1 . 2]" 1
1847 1 83 ASN H 1 85 LYS H 4.610 . 4.610 4.177 4.115 4.270 . 0 0 "[ . 1 . 2]" 1
1848 1 83 ASN H 1 86 HIS QB 5.500 . 5.500 4.562 4.360 4.778 . 0 0 "[ . 1 . 2]" 1
1849 1 83 ASN QB 1 84 VAL H 2.780 . 2.780 2.220 2.097 2.312 . 0 0 "[ . 1 . 2]" 1
1850 1 83 ASN QB 1 84 VAL MG2 5.340 . 5.340 2.829 2.588 3.027 . 0 0 "[ . 1 . 2]" 1
1851 1 83 ASN QB 1 84 VAL MG1 5.340 . 5.340 4.932 4.660 5.144 . 0 0 "[ . 1 . 2]" 1
1852 1 83 ASN QB 1 85 LYS H 5.270 . 5.270 4.571 4.474 4.671 . 0 0 "[ . 1 . 2]" 1
1853 1 83 ASN QB 1 86 HIS QB 5.340 . 5.340 4.412 4.091 4.630 . 0 0 "[ . 1 . 2]" 1
1854 1 83 ASN QD 1 84 VAL MG2 5.340 . 5.340 3.883 2.364 5.269 . 0 0 "[ . 1 . 2]" 1
1855 1 84 VAL HA 1 84 VAL MG2 3.270 . 3.270 2.208 2.161 2.249 . 0 0 "[ . 1 . 2]" 1
1856 1 84 VAL HA 1 84 VAL MG1 3.510 . 3.510 2.514 2.439 2.606 . 0 0 "[ . 1 . 2]" 1
1857 1 84 VAL HA 1 86 HIS H 5.030 . 5.030 4.416 4.277 4.576 . 0 0 "[ . 1 . 2]" 1
1858 1 84 VAL HA 1 87 LYS H 3.660 . 3.660 3.565 3.432 3.680 0.020 5 0 "[ . 1 . 2]" 1
1859 1 84 VAL HA 1 87 LYS QB 4.080 . 4.080 2.832 2.551 3.147 . 0 0 "[ . 1 . 2]" 1
1860 1 84 VAL HB 1 85 LYS H 2.980 . 2.980 2.609 2.454 2.742 . 0 0 "[ . 1 . 2]" 1
1861 1 84 VAL H 1 84 VAL HB 2.400 . 2.400 2.405 2.354 2.429 0.029 20 0 "[ . 1 . 2]" 1
1862 1 84 VAL H 1 84 VAL MG1 3.910 . 3.910 3.730 3.701 3.753 . 0 0 "[ . 1 . 2]" 1
1863 1 84 VAL H 1 84 VAL MG2 2.670 . 2.670 2.172 2.111 2.258 . 0 0 "[ . 1 . 2]" 1
1864 1 84 VAL H 1 85 LYS H 2.810 . 2.810 2.693 2.656 2.725 . 0 0 "[ . 1 . 2]" 1
1865 1 84 VAL H 1 85 LYS HB2 4.830 . 4.830 4.787 4.735 4.830 . 0 0 "[ . 1 . 2]" 1
1866 1 84 VAL H 1 85 LYS QE 5.340 . 5.340 5.341 5.011 5.401 0.061 19 0 "[ . 1 . 2]" 1
1867 1 84 VAL H 1 87 LYS QB 5.500 . 5.500 5.068 4.649 5.505 0.005 3 0 "[ . 1 . 2]" 1
1868 1 84 VAL MG2 1 85 LYS H 3.910 . 3.910 3.853 3.766 3.930 0.020 18 0 "[ . 1 . 2]" 1
1869 1 84 VAL MG2 1 87 LYS H 5.390 . 5.390 5.182 5.060 5.307 . 0 0 "[ . 1 . 2]" 1
1870 1 84 VAL MG2 1 87 LYS QE 5.460 . 5.460 3.674 2.384 5.124 . 0 0 "[ . 1 . 2]" 1
1871 1 84 VAL MG1 1 85 LYS HA 5.370 . 5.370 3.419 3.234 3.579 . 0 0 "[ . 1 . 2]" 1
1872 1 84 VAL MG1 1 87 LYS H 5.230 . 5.230 4.796 4.670 4.984 . 0 0 "[ . 1 . 2]" 1
1873 1 84 VAL MG1 1 87 LYS QB 4.880 . 4.880 3.777 3.474 4.175 . 0 0 "[ . 1 . 2]" 1
1874 1 84 VAL MG1 1 87 LYS QD 5.130 . 5.130 4.426 3.411 4.989 . 0 0 "[ . 1 . 2]" 1
1875 1 84 VAL MG1 1 88 THR HB 5.500 . 5.500 3.842 3.561 4.025 . 0 0 "[ . 1 . 2]" 1
1876 1 85 LYS HA 1 85 LYS HE3 5.500 . 5.500 5.048 4.732 5.261 . 0 0 "[ . 1 . 2]" 1
1877 1 85 LYS HA 1 85 LYS HE2 5.500 . 5.500 4.964 4.694 5.123 . 0 0 "[ . 1 . 2]" 1
1878 1 85 LYS HA 1 85 LYS QG 3.540 . 3.540 2.387 2.298 2.453 . 0 0 "[ . 1 . 2]" 1
1879 1 85 LYS HA 1 88 THR HB 3.770 . 3.770 2.376 2.128 2.543 . 0 0 "[ . 1 . 2]" 1
1880 1 85 LYS HA 1 88 THR H 3.750 . 3.750 3.480 3.291 3.669 . 0 0 "[ . 1 . 2]" 1
1881 1 85 LYS HA 1 89 LYS H 3.930 . 3.930 3.694 3.536 3.890 . 0 0 "[ . 1 . 2]" 1
1882 1 85 LYS HA 1 89 LYS QD 4.950 . 4.950 4.965 4.827 5.022 0.072 4 0 "[ . 1 . 2]" 1
1883 1 85 LYS H 1 85 LYS HB2 2.790 . 2.790 2.512 2.387 2.584 . 0 0 "[ . 1 . 2]" 1
1884 1 85 LYS H 1 85 LYS QE 4.880 . 4.880 3.838 3.440 3.960 . 0 0 "[ . 1 . 2]" 1
1885 1 85 LYS H 1 85 LYS QG 3.950 . 3.950 2.146 2.088 2.414 . 0 0 "[ . 1 . 2]" 1
1886 1 85 LYS H 1 86 HIS QB 4.910 . 4.910 4.383 4.214 4.565 . 0 0 "[ . 1 . 2]" 1
1887 1 85 LYS H 1 87 LYS QB 5.500 . 5.500 5.056 4.662 5.421 . 0 0 "[ . 1 . 2]" 1
1888 1 85 LYS H 1 88 THR HB 5.500 . 5.500 4.678 4.591 4.749 . 0 0 "[ . 1 . 2]" 1
1889 1 85 LYS HB3 1 86 HIS H 3.420 . 3.420 3.353 3.274 3.434 0.014 17 0 "[ . 1 . 2]" 1
1890 1 85 LYS HB2 1 85 LYS QD 3.730 . 3.730 2.289 2.207 2.992 . 0 0 "[ . 1 . 2]" 1
1891 1 85 LYS HB2 1 86 HIS H 3.000 . 3.000 2.330 2.217 2.662 . 0 0 "[ . 1 . 2]" 1
1892 1 85 LYS HB2 1 87 LYS H 5.500 . 5.500 4.983 4.871 5.222 . 0 0 "[ . 1 . 2]" 1
1893 1 85 LYS QE 1 86 HIS H 5.340 . 5.340 5.421 4.284 5.526 0.186 16 0 "[ . 1 . 2]" 1
1894 1 85 LYS QE 1 85 LYS QG 3.170 . 3.170 2.011 1.937 2.316 . 0 0 "[ . 1 . 2]" 1
1895 1 85 LYS QG 1 86 HIS H 4.800 . 4.800 3.873 3.800 4.151 . 0 0 "[ . 1 . 2]" 1
1896 1 85 LYS QG 1 88 THR HB 5.340 . 5.340 4.383 3.952 4.617 . 0 0 "[ . 1 . 2]" 1
1897 1 86 HIS HA 1 87 LYS H 3.570 . 3.570 3.488 3.444 3.524 . 0 0 "[ . 1 . 2]" 1
1898 1 86 HIS HA 1 88 THR H 4.990 . 4.990 4.192 4.057 4.288 . 0 0 "[ . 1 . 2]" 1
1899 1 86 HIS HA 1 89 LYS QD 4.920 . 4.920 2.027 1.783 2.694 0.017 3 0 "[ . 1 . 2]" 1
1900 1 86 HIS HA 1 89 LYS QE 5.500 . 5.500 3.343 1.771 4.161 0.029 19 0 "[ . 1 . 2]" 1
1901 1 86 HIS HA 1 89 LYS HG2 5.430 . 5.430 3.843 3.630 4.109 . 0 0 "[ . 1 . 2]" 1
1902 1 86 HIS HA 1 90 GLU H 4.280 . 4.280 4.081 3.877 4.195 . 0 0 "[ . 1 . 2]" 1
1903 1 86 HIS HA 1 90 GLU QG 3.700 . 3.700 3.625 3.437 3.723 0.023 1 0 "[ . 1 . 2]" 1
1904 1 86 HIS H 1 86 HIS HA 2.890 . 2.890 2.775 2.743 2.831 . 0 0 "[ . 1 . 2]" 1
1905 1 86 HIS H 1 86 HIS QB 2.400 . 2.400 2.284 2.176 2.384 . 0 0 "[ . 1 . 2]" 1
1906 1 86 HIS H 1 87 LYS HA 5.440 . 5.440 5.446 5.328 5.506 0.066 18 0 "[ . 1 . 2]" 1
1907 1 86 HIS H 1 87 LYS H 2.710 . 2.710 2.781 2.742 2.805 0.095 15 0 "[ . 1 . 2]" 1
1908 1 86 HIS H 1 89 LYS QD 5.080 . 5.080 4.313 4.073 4.668 . 0 0 "[ . 1 . 2]" 1
1909 1 86 HIS H 1 89 LYS HG3 5.230 . 5.230 4.435 4.340 4.512 . 0 0 "[ . 1 . 2]" 1
1910 1 86 HIS QB 1 87 LYS H 3.370 . 3.370 2.248 2.092 2.440 . 0 0 "[ . 1 . 2]" 1
1911 1 86 HIS QB 1 87 LYS QB 5.500 . 5.500 4.016 3.403 4.562 . 0 0 "[ . 1 . 2]" 1
1912 1 86 HIS QB 1 90 GLU QG 5.340 . 5.340 4.532 4.375 4.835 . 0 0 "[ . 1 . 2]" 1
1913 1 86 HIS HD2 1 87 LYS H 5.070 . 5.070 4.392 3.247 5.166 0.096 5 0 "[ . 1 . 2]" 1
1914 1 86 HIS HD2 1 90 GLU HG2 5.500 . 5.500 4.032 2.223 5.529 0.029 1 0 "[ . 1 . 2]" 1
1915 1 87 LYS HA 1 87 LYS QD 3.910 . 3.910 3.978 3.377 4.109 0.199 12 0 "[ . 1 . 2]" 1
1916 1 87 LYS HA 1 87 LYS QE 4.810 . 4.810 4.527 4.211 4.905 0.095 14 0 "[ . 1 . 2]" 1
1917 1 87 LYS HA 1 87 LYS QG 3.450 . 3.450 2.483 2.357 2.610 . 0 0 "[ . 1 . 2]" 1
1918 1 87 LYS HA 1 88 THR H 3.530 . 3.530 3.357 3.313 3.425 . 0 0 "[ . 1 . 2]" 1
1919 1 87 LYS H 1 87 LYS QB 2.700 . 2.700 2.343 2.088 2.655 . 0 0 "[ . 1 . 2]" 1
1920 1 87 LYS H 1 87 LYS QE 5.430 . 5.430 4.152 3.440 5.185 . 0 0 "[ . 1 . 2]" 1
1921 1 87 LYS H 1 87 LYS QG 3.850 . 3.850 2.868 2.141 3.943 0.093 10 0 "[ . 1 . 2]" 1
1922 1 87 LYS H 1 88 THR HB 4.350 . 4.350 4.441 4.420 4.469 0.119 7 0 "[ . 1 . 2]" 1
1923 1 87 LYS H 1 88 THR H 2.790 . 2.790 2.538 2.483 2.574 . 0 0 "[ . 1 . 2]" 1
1924 1 87 LYS H 1 88 THR MG 5.500 . 5.500 5.610 5.586 5.629 0.129 7 0 "[ . 1 . 2]" 1
1925 1 87 LYS H 1 89 LYS H 5.130 . 5.130 4.609 4.561 4.662 . 0 0 "[ . 1 . 2]" 1
1926 1 87 LYS H 1 90 GLU H 5.480 . 5.480 4.914 4.860 4.979 . 0 0 "[ . 1 . 2]" 1
1927 1 87 LYS QB 1 87 LYS QD 3.240 . 3.240 2.190 2.033 2.763 . 0 0 "[ . 1 . 2]" 1
1928 1 87 LYS QB 1 87 LYS QE 3.680 . 3.680 2.470 1.847 3.633 . 0 0 "[ . 1 . 2]" 1
1929 1 87 LYS QB 1 88 THR H 3.490 . 3.490 2.651 2.455 2.868 . 0 0 "[ . 1 . 2]" 1
1930 1 87 LYS QE 1 87 LYS QG 3.350 . 3.350 2.404 2.121 2.857 . 0 0 "[ . 1 . 2]" 1
1931 1 88 THR HA 1 88 THR MG 3.460 . 3.460 2.438 2.401 2.465 . 0 0 "[ . 1 . 2]" 1
1932 1 88 THR HA 1 89 LYS QD 5.500 . 5.500 5.332 5.244 5.398 . 0 0 "[ . 1 . 2]" 1
1933 1 88 THR HA 1 91 TYR H 3.560 . 3.560 3.390 3.243 3.496 . 0 0 "[ . 1 . 2]" 1
1934 1 88 THR HA 1 91 TYR QB 3.680 . 3.680 2.442 2.320 2.578 . 0 0 "[ . 1 . 2]" 1
1935 1 88 THR HA 1 91 TYR QD 3.710 . 3.710 3.107 2.915 3.282 . 0 0 "[ . 1 . 2]" 1
1936 1 88 THR HA 1 92 ILE H 3.900 . 3.900 3.724 3.599 3.807 . 0 0 "[ . 1 . 2]" 1
1937 1 88 THR HB 1 89 LYS HA 5.500 . 5.500 4.255 4.147 4.380 . 0 0 "[ . 1 . 2]" 1
1938 1 88 THR HB 1 89 LYS H 2.940 . 2.940 2.266 2.179 2.397 . 0 0 "[ . 1 . 2]" 1
1939 1 88 THR HB 1 89 LYS QD 4.920 . 4.920 4.518 4.432 4.586 . 0 0 "[ . 1 . 2]" 1
1940 1 88 THR HB 1 90 GLU H 4.900 . 4.900 4.666 4.609 4.758 . 0 0 "[ . 1 . 2]" 1
1941 1 88 THR HB 1 91 TYR QB 5.420 . 5.420 5.042 4.942 5.178 . 0 0 "[ . 1 . 2]" 1
1942 1 88 THR H 1 88 THR HB 2.660 . 2.660 2.180 2.142 2.227 . 0 0 "[ . 1 . 2]" 1
1943 1 88 THR H 1 88 THR MG 3.800 . 3.800 3.564 3.539 3.594 . 0 0 "[ . 1 . 2]" 1
1944 1 88 THR H 1 89 LYS H 3.060 . 3.060 2.685 2.638 2.720 . 0 0 "[ . 1 . 2]" 1
1945 1 88 THR H 1 89 LYS QD 3.900 . 3.900 4.051 3.942 4.109 0.209 11 0 "[ . 1 . 2]" 1
1946 1 88 THR H 1 89 LYS HG3 3.690 . 3.690 3.814 3.762 3.897 0.207 4 0 "[ . 1 . 2]" 1
1947 1 88 THR H 1 90 GLU H 3.930 . 3.930 3.849 3.786 3.921 . 0 0 "[ . 1 . 2]" 1
1948 1 88 THR H 1 92 ILE H 5.500 . 5.500 5.655 5.631 5.689 0.189 5 0 "[ . 1 . 2]" 1
1949 1 88 THR MG 1 89 LYS HA 4.930 . 4.930 2.697 2.616 2.767 . 0 0 "[ . 1 . 2]" 1
1950 1 88 THR MG 1 89 LYS H 3.610 . 3.610 2.601 2.554 2.646 . 0 0 "[ . 1 . 2]" 1
1951 1 88 THR MG 1 89 LYS QD 4.440 . 4.440 4.607 4.572 4.650 0.210 14 0 "[ . 1 . 2]" 1
1952 1 88 THR MG 1 91 TYR QD 3.730 . 3.730 3.456 3.218 3.624 . 0 0 "[ . 1 . 2]" 1
1953 1 88 THR MG 1 92 ILE HB 5.500 . 5.500 4.110 3.976 4.281 . 0 0 "[ . 1 . 2]" 1
1954 1 88 THR MG 1 92 ILE H 3.950 . 3.950 3.813 3.711 3.910 . 0 0 "[ . 1 . 2]" 1
1955 1 88 THR MG 1 92 ILE MD 3.050 . 3.050 2.911 2.717 3.065 0.015 10 0 "[ . 1 . 2]" 1
1956 1 88 THR MG 1 92 ILE HG13 5.500 . 5.500 2.518 2.344 2.703 . 0 0 "[ . 1 . 2]" 1
1957 1 88 THR MG 1 92 ILE HG12 3.740 . 3.740 2.887 2.723 2.971 . 0 0 "[ . 1 . 2]" 1
1958 1 88 THR MG 1 92 ILE MG 5.090 . 5.090 4.398 4.265 4.535 . 0 0 "[ . 1 . 2]" 1
1959 1 89 LYS HA 1 89 LYS QD 4.230 . 4.230 3.635 3.528 3.712 . 0 0 "[ . 1 . 2]" 1
1960 1 89 LYS HA 1 89 LYS QE 5.500 . 5.500 4.666 4.043 5.433 . 0 0 "[ . 1 . 2]" 1
1961 1 89 LYS HA 1 89 LYS HG3 3.620 . 3.620 3.472 3.431 3.505 . 0 0 "[ . 1 . 2]" 1
1962 1 89 LYS HA 1 89 LYS HG2 4.240 . 4.240 4.164 4.120 4.207 . 0 0 "[ . 1 . 2]" 1
1963 1 89 LYS HA 1 92 ILE HB 3.670 . 3.670 2.423 2.273 2.624 . 0 0 "[ . 1 . 2]" 1
1964 1 89 LYS HA 1 92 ILE MD 4.780 . 4.780 4.013 3.906 4.181 . 0 0 "[ . 1 . 2]" 1
1965 1 89 LYS HA 1 92 ILE MG 5.500 . 5.500 3.709 3.573 3.880 . 0 0 "[ . 1 . 2]" 1
1966 1 89 LYS H 1 89 LYS HA 2.890 . 2.890 2.706 2.685 2.736 . 0 0 "[ . 1 . 2]" 1
1967 1 89 LYS H 1 89 LYS HB3 2.920 . 2.920 2.926 2.894 2.954 0.034 18 0 "[ . 1 . 2]" 1
1968 1 89 LYS H 1 89 LYS QD 3.630 . 3.630 2.678 2.506 2.780 . 0 0 "[ . 1 . 2]" 1
1969 1 89 LYS H 1 89 LYS HG2 3.410 . 3.410 3.382 3.308 3.453 0.043 19 0 "[ . 1 . 2]" 1
1970 1 89 LYS H 1 90 GLU H 3.150 . 3.150 2.702 2.635 2.783 . 0 0 "[ . 1 . 2]" 1
1971 1 89 LYS H 1 91 TYR H 4.820 . 4.820 4.028 3.990 4.083 . 0 0 "[ . 1 . 2]" 1
1972 1 89 LYS H 1 92 ILE H 4.960 . 4.960 4.622 4.582 4.669 . 0 0 "[ . 1 . 2]" 1
1973 1 89 LYS HB3 1 89 LYS QD 3.420 . 3.420 3.330 3.226 3.416 . 0 0 "[ . 1 . 2]" 1
1974 1 89 LYS HB2 1 89 LYS QD 2.960 . 2.960 2.554 2.238 2.841 . 0 0 "[ . 1 . 2]" 1
1975 1 89 LYS HB2 1 89 LYS QE 5.040 . 5.040 2.664 1.919 4.058 . 0 0 "[ . 1 . 2]" 1
1976 1 89 LYS QD 1 90 GLU HA 5.500 . 5.500 3.378 3.196 3.546 . 0 0 "[ . 1 . 2]" 1
1977 1 89 LYS QD 1 90 GLU H 4.280 . 4.280 1.750 1.675 1.836 0.125 14 0 "[ . 1 . 2]" 1
1978 1 89 LYS QD 1 90 GLU QG 3.800 . 3.800 2.282 2.074 2.468 . 0 0 "[ . 1 . 2]" 1
1979 1 89 LYS QE 1 90 GLU QB 5.340 . 5.340 4.548 4.049 5.019 . 0 0 "[ . 1 . 2]" 1
1980 1 89 LYS QE 1 90 GLU QG 4.200 . 4.200 2.924 2.340 3.772 . 0 0 "[ . 1 . 2]" 1
1981 1 89 LYS QD 1 89 LYS HG2 2.680 . 2.680 2.348 2.246 2.444 . 0 0 "[ . 1 . 2]" 1
1982 1 89 LYS QE 1 89 LYS HG2 3.860 . 3.860 2.421 2.119 2.755 . 0 0 "[ . 1 . 2]" 1
1983 1 89 LYS HG2 1 90 GLU H 4.120 . 4.120 4.293 4.232 4.336 0.216 16 0 "[ . 1 . 2]" 1
1984 1 90 GLU HA 1 90 GLU HG3 3.940 . 3.940 3.527 3.107 3.786 . 0 0 "[ . 1 . 2]" 1
1985 1 90 GLU HA 1 90 GLU HG2 3.940 . 3.940 2.818 2.373 3.084 . 0 0 "[ . 1 . 2]" 1
1986 1 90 GLU HA 1 90 GLU QG 3.220 . 3.220 2.710 2.302 2.941 . 0 0 "[ . 1 . 2]" 1
1987 1 90 GLU HA 1 93 LYS QG 4.700 . 4.700 3.033 2.020 3.972 . 0 0 "[ . 1 . 2]" 1
1988 1 90 GLU H 1 90 GLU HA 2.940 . 2.940 2.859 2.846 2.877 . 0 0 "[ . 1 . 2]" 1
1989 1 90 GLU H 1 90 GLU QG 2.680 . 2.680 2.455 2.385 2.561 . 0 0 "[ . 1 . 2]" 1
1990 1 90 GLU H 1 91 TYR H 2.860 . 2.860 2.627 2.574 2.681 . 0 0 "[ . 1 . 2]" 1
1991 1 90 GLU H 1 91 TYR QB 4.430 . 4.430 4.329 4.252 4.401 . 0 0 "[ . 1 . 2]" 1
1992 1 90 GLU H 1 92 ILE H 4.530 . 4.530 4.166 4.102 4.277 . 0 0 "[ . 1 . 2]" 1
1993 1 90 GLU QB 1 91 TYR H 2.800 . 2.800 2.799 2.589 2.866 0.066 19 0 "[ . 1 . 2]" 1
1994 1 90 GLU QG 1 91 TYR H 5.100 . 5.100 4.249 4.119 4.327 . 0 0 "[ . 1 . 2]" 1
1995 1 91 TYR HA 1 91 TYR QD 3.330 . 3.330 2.725 2.636 2.817 . 0 0 "[ . 1 . 2]" 1
1996 1 91 TYR HA 1 91 TYR QE 5.190 . 5.190 4.858 4.790 4.919 . 0 0 "[ . 1 . 2]" 1
1997 1 91 TYR HA 1 94 LYS H 3.800 . 3.800 3.582 3.481 3.655 . 0 0 "[ . 1 . 2]" 1
1998 1 91 TYR HA 1 94 LYS QB 3.890 . 3.890 2.882 2.768 3.057 . 0 0 "[ . 1 . 2]" 1
1999 1 91 TYR HA 1 95 TYR H 4.510 . 4.510 3.904 3.869 3.947 . 0 0 "[ . 1 . 2]" 1
2000 1 91 TYR H 1 91 TYR QB 2.670 . 2.670 2.146 2.101 2.188 . 0 0 "[ . 1 . 2]" 1
2001 1 91 TYR H 1 91 TYR QD 4.310 . 4.310 4.026 3.963 4.072 . 0 0 "[ . 1 . 2]" 1
2002 1 91 TYR H 1 92 ILE H 3.040 . 3.040 2.393 2.343 2.433 . 0 0 "[ . 1 . 2]" 1
2003 1 91 TYR H 1 93 LYS H 4.840 . 4.840 4.086 3.915 4.210 . 0 0 "[ . 1 . 2]" 1
2004 1 91 TYR QB 1 92 ILE H 2.930 . 2.930 2.457 2.321 2.555 . 0 0 "[ . 1 . 2]" 1
2005 1 91 TYR QD 1 92 ILE HA 5.030 . 5.030 3.853 3.732 3.949 . 0 0 "[ . 1 . 2]" 1
2006 1 91 TYR QD 1 92 ILE H 3.610 . 3.610 3.141 3.055 3.239 . 0 0 "[ . 1 . 2]" 1
2007 1 91 TYR QD 1 92 ILE MD 3.700 . 3.700 3.364 3.218 3.583 . 0 0 "[ . 1 . 2]" 1
2008 1 91 TYR QD 1 92 ILE HG13 5.500 . 5.500 4.393 4.204 4.502 . 0 0 "[ . 1 . 2]" 1
2009 1 91 TYR QD 1 92 ILE HG12 3.330 . 3.330 2.804 2.624 2.894 . 0 0 "[ . 1 . 2]" 1
2010 1 91 TYR QD 1 92 ILE MG 5.120 . 5.120 5.056 4.925 5.150 0.030 5 0 "[ . 1 . 2]" 1
2011 1 91 TYR QD 1 94 LYS H 5.500 . 5.500 5.278 5.203 5.358 . 0 0 "[ . 1 . 2]" 1
2012 1 91 TYR QD 1 94 LYS QB 3.980 . 3.980 4.005 3.895 4.063 0.083 16 0 "[ . 1 . 2]" 1
2013 1 91 TYR QD 1 95 TYR HB3 4.520 . 4.520 4.575 4.527 4.646 0.126 16 0 "[ . 1 . 2]" 1
2014 1 91 TYR QD 1 95 TYR HB2 4.430 . 4.430 3.542 3.428 3.688 . 0 0 "[ . 1 . 2]" 1
2015 1 91 TYR QE 1 92 ILE HA 4.600 . 4.600 4.466 4.353 4.603 0.003 13 0 "[ . 1 . 2]" 1
2016 1 91 TYR QE 1 92 ILE MD 3.920 . 3.920 3.587 3.403 3.795 . 0 0 "[ . 1 . 2]" 1
2017 1 91 TYR QE 1 92 ILE HG12 4.220 . 4.220 4.274 4.234 4.307 0.087 19 0 "[ . 1 . 2]" 1
2018 1 91 TYR QE 1 95 TYR H 5.370 . 5.370 5.122 4.978 5.300 . 0 0 "[ . 1 . 2]" 1
2019 1 91 TYR QE 1 95 TYR HB2 4.180 . 4.180 3.283 3.065 3.606 . 0 0 "[ . 1 . 2]" 1
2020 1 91 TYR QE 1 95 TYR QD 3.630 . 3.630 3.243 2.507 3.644 0.014 9 0 "[ . 1 . 2]" 1
2021 1 92 ILE HA 1 92 ILE MD 4.300 . 4.300 2.341 2.258 2.450 . 0 0 "[ . 1 . 2]" 1
2022 1 92 ILE HA 1 92 ILE HG13 3.960 . 3.960 3.785 3.741 3.833 . 0 0 "[ . 1 . 2]" 1
2023 1 92 ILE HA 1 92 ILE HG12 3.810 . 3.810 2.608 2.438 2.698 . 0 0 "[ . 1 . 2]" 1
2024 1 92 ILE HA 1 92 ILE MG 3.560 . 3.560 2.452 2.396 2.497 . 0 0 "[ . 1 . 2]" 1
2025 1 92 ILE HA 1 94 LYS H 4.590 . 4.590 4.491 4.427 4.530 . 0 0 "[ . 1 . 2]" 1
2026 1 92 ILE HA 1 95 TYR H 3.330 . 3.330 3.526 3.500 3.552 0.222 1 0 "[ . 1 . 2]" 1
2027 1 92 ILE HA 1 95 TYR HB3 3.760 . 3.760 2.389 2.248 2.485 . 0 0 "[ . 1 . 2]" 1
2028 1 92 ILE HA 1 95 TYR HB2 3.800 . 3.800 3.485 3.146 3.635 . 0 0 "[ . 1 . 2]" 1
2029 1 92 ILE HA 1 95 TYR QD 3.930 . 3.930 3.499 3.319 4.012 0.082 16 0 "[ . 1 . 2]" 1
2030 1 92 ILE HA 1 96 MET H 3.820 . 3.820 3.764 3.684 3.835 0.015 6 0 "[ . 1 . 2]" 1
2031 1 92 ILE HB 1 92 ILE MD 3.350 . 3.350 3.152 3.124 3.171 . 0 0 "[ . 1 . 2]" 1
2032 1 92 ILE H 1 92 ILE HB 2.780 . 2.780 2.534 2.469 2.635 . 0 0 "[ . 1 . 2]" 1
2033 1 92 ILE H 1 92 ILE MD 3.810 . 3.810 3.501 3.403 3.594 . 0 0 "[ . 1 . 2]" 1
2034 1 92 ILE H 1 92 ILE HG13 3.200 . 3.200 3.204 3.043 3.240 0.040 3 0 "[ . 1 . 2]" 1
2035 1 92 ILE H 1 92 ILE HG12 2.700 . 2.700 2.031 1.948 2.122 . 0 0 "[ . 1 . 2]" 1
2036 1 92 ILE H 1 92 ILE MG 3.970 . 3.970 3.757 3.738 3.777 . 0 0 "[ . 1 . 2]" 1
2037 1 92 ILE H 1 93 LYS H 3.100 . 3.100 3.000 2.919 3.074 . 0 0 "[ . 1 . 2]" 1
2038 1 92 ILE H 1 93 LYS QG 4.800 . 4.800 4.624 4.320 4.836 0.036 2 0 "[ . 1 . 2]" 1
2039 1 92 ILE H 1 94 LYS H 4.590 . 4.590 4.292 4.193 4.368 . 0 0 "[ . 1 . 2]" 1
2040 1 92 ILE H 1 95 TYR HB3 5.220 . 5.220 4.588 4.524 4.649 . 0 0 "[ . 1 . 2]" 1
2041 1 92 ILE H 1 95 TYR HB2 5.500 . 5.500 4.986 4.663 5.161 . 0 0 "[ . 1 . 2]" 1
2042 1 92 ILE MD 1 95 TYR H 5.500 . 5.500 5.420 5.328 5.504 0.004 13 0 "[ . 1 . 2]" 1
2043 1 92 ILE MD 1 96 MET H 5.310 . 5.310 5.204 5.082 5.301 . 0 0 "[ . 1 . 2]" 1
2044 1 92 ILE HG12 1 95 TYR QD 5.500 . 5.500 5.589 5.548 5.676 0.176 13 0 "[ . 1 . 2]" 1
2045 1 92 ILE MD 1 92 ILE MG 2.960 . 2.960 1.905 1.872 1.932 . 0 0 "[ . 1 . 2]" 1
2046 1 92 ILE HG13 1 92 ILE MG 3.690 . 3.690 2.714 2.674 2.821 . 0 0 "[ . 1 . 2]" 1
2047 1 92 ILE MG 1 93 LYS HA 4.220 . 4.220 3.031 2.877 3.282 . 0 0 "[ . 1 . 2]" 1
2048 1 92 ILE MG 1 93 LYS QG 5.010 . 5.010 3.663 2.945 4.519 . 0 0 "[ . 1 . 2]" 1
2049 1 92 ILE MG 1 94 LYS H 5.280 . 5.280 4.781 4.683 4.896 . 0 0 "[ . 1 . 2]" 1
2050 1 92 ILE MG 1 95 TYR H 4.560 . 4.560 4.666 4.652 4.676 0.116 12 0 "[ . 1 . 2]" 1
2051 1 92 ILE MG 1 95 TYR QD 4.480 . 4.480 3.822 3.521 4.504 0.024 16 0 "[ . 1 . 2]" 1
2052 1 92 ILE MG 1 96 MET H 3.890 . 3.890 3.814 3.756 3.903 0.013 7 0 "[ . 1 . 2]" 1
2053 1 92 ILE MG 1 96 MET ME 4.630 . 4.630 4.229 4.085 4.418 . 0 0 "[ . 1 . 2]" 1
2054 1 92 ILE MG 1 96 MET HG3 4.230 . 4.230 2.601 2.349 2.964 . 0 0 "[ . 1 . 2]" 1
2055 1 92 ILE MG 1 96 MET HG2 4.230 . 4.230 3.204 2.452 3.712 . 0 0 "[ . 1 . 2]" 1
2056 1 92 ILE MG 1 96 MET QG 3.700 . 3.700 2.400 2.312 2.544 . 0 0 "[ . 1 . 2]" 1
2057 1 93 LYS HA 1 94 LYS H 3.510 . 3.510 3.512 3.491 3.528 0.018 15 0 "[ . 1 . 2]" 1
2058 1 93 LYS HA 1 96 MET H 4.430 . 4.430 3.653 3.310 4.016 . 0 0 "[ . 1 . 2]" 1
2059 1 93 LYS H 1 93 LYS HA 2.930 . 2.930 2.773 2.732 2.815 . 0 0 "[ . 1 . 2]" 1
2060 1 93 LYS H 1 94 LYS H 2.900 . 2.900 2.762 2.709 2.839 . 0 0 "[ . 1 . 2]" 1
2061 1 94 LYS HA 1 95 TYR H 3.440 . 3.440 3.474 3.446 3.491 0.051 3 0 "[ . 1 . 2]" 1
2062 1 94 LYS HA 1 97 GLN H 4.110 . 4.110 3.522 3.408 3.595 . 0 0 "[ . 1 . 2]" 1
2063 1 94 LYS HA 1 97 GLN QB 3.800 . 4.300 3.129 2.910 3.226 . 0 0 "[ . 1 . 2]" 1
2064 1 94 LYS HA 1 97 GLN HG3 4.140 . 4.140 2.874 2.762 3.039 . 0 0 "[ . 1 . 2]" 1
2065 1 94 LYS HA 1 97 GLN HG2 4.140 . 4.140 2.071 2.019 2.148 . 0 0 "[ . 1 . 2]" 1
2066 1 94 LYS HA 1 97 GLN QG 3.640 . 3.640 2.026 1.972 2.106 . 0 0 "[ . 1 . 2]" 1
2067 1 94 LYS HA 1 97 GLN HE22 5.090 . 5.090 5.252 5.212 5.300 0.210 19 0 "[ . 1 . 2]" 1
2068 1 94 LYS HA 1 97 GLN HE21 4.090 . 4.090 3.831 3.776 3.871 . 0 0 "[ . 1 . 2]" 1
2069 1 94 LYS H 1 94 LYS QB 2.420 . 2.420 2.326 2.208 2.461 0.041 11 0 "[ . 1 . 2]" 1
2070 1 94 LYS H 1 95 TYR HA 5.220 . 5.220 5.066 5.014 5.119 . 0 0 "[ . 1 . 2]" 1
2071 1 94 LYS H 1 95 TYR H 2.800 . 2.800 2.456 2.406 2.507 . 0 0 "[ . 1 . 2]" 1
2072 1 94 LYS H 1 95 TYR HB3 4.210 . 4.210 4.319 4.276 4.352 0.142 9 0 "[ . 1 . 2]" 1
2073 1 94 LYS H 1 96 MET H 4.260 . 4.260 4.245 4.202 4.283 0.023 8 0 "[ . 1 . 2]" 1
2074 1 94 LYS QB 1 95 TYR H 3.150 . 3.150 2.677 2.603 2.741 . 0 0 "[ . 1 . 2]" 1
2075 1 95 TYR HA 1 95 TYR QD 3.060 . 3.060 2.712 2.556 3.138 0.078 16 0 "[ . 1 . 2]" 1
2076 1 95 TYR HA 1 95 TYR QE 5.120 . 5.120 4.591 4.483 4.743 . 0 0 "[ . 1 . 2]" 1
2077 1 95 TYR HA 1 97 GLN H 4.290 . 4.290 4.064 3.988 4.166 . 0 0 "[ . 1 . 2]" 1
2078 1 95 TYR HA 1 98 LYS H 4.130 . 4.130 3.854 3.709 4.049 . 0 0 "[ . 1 . 2]" 1
2079 1 95 TYR HA 1 98 LYS QD 5.500 . 5.500 4.698 3.960 5.504 0.004 16 0 "[ . 1 . 2]" 1
2080 1 95 TYR HA 1 98 LYS HG2 5.040 . 5.040 3.321 3.010 3.638 . 0 0 "[ . 1 . 2]" 1
2081 1 95 TYR H 1 95 TYR HB3 2.740 . 2.740 2.216 2.130 2.303 . 0 0 "[ . 1 . 2]" 1
2082 1 95 TYR H 1 95 TYR HB2 3.120 . 3.120 2.485 2.336 2.547 . 0 0 "[ . 1 . 2]" 1
2083 1 95 TYR H 1 95 TYR QD 4.320 . 4.320 4.046 4.004 4.087 . 0 0 "[ . 1 . 2]" 1
2084 1 95 TYR H 1 96 MET H 3.020 . 3.020 2.764 2.729 2.795 . 0 0 "[ . 1 . 2]" 1
2085 1 95 TYR H 1 97 GLN H 4.220 . 4.220 3.917 3.826 3.959 . 0 0 "[ . 1 . 2]" 1
2086 1 95 TYR HB3 1 96 MET H 2.900 . 2.900 2.317 2.203 2.424 . 0 0 "[ . 1 . 2]" 1
2087 1 95 TYR HB3 1 97 GLN H 4.970 . 4.970 4.561 4.500 4.632 . 0 0 "[ . 1 . 2]" 1
2088 1 95 TYR HB3 1 97 GLN QE 5.340 . 5.340 5.420 5.379 5.466 0.126 10 0 "[ . 1 . 2]" 1
2089 1 95 TYR HB2 1 96 MET H 4.030 . 4.030 3.767 3.600 3.868 . 0 0 "[ . 1 . 2]" 1
2090 1 95 TYR QD 1 96 MET HA 3.760 . 3.760 3.239 2.394 3.466 . 0 0 "[ . 1 . 2]" 1
2091 1 95 TYR QD 1 96 MET H 4.070 . 4.070 2.957 2.737 3.114 . 0 0 "[ . 1 . 2]" 1
2092 1 95 TYR QD 1 96 MET HB3 4.700 . 4.700 4.579 4.159 4.702 0.002 15 0 "[ . 1 . 2]" 1
2093 1 95 TYR QD 1 96 MET HB2 4.730 . 4.730 4.598 4.302 4.749 0.019 17 0 "[ . 1 . 2]" 1
2094 1 95 TYR QD 1 96 MET ME 3.900 . 3.900 3.903 3.694 3.964 0.064 6 0 "[ . 1 . 2]" 1
2095 1 95 TYR QD 1 98 LYS QD 4.570 . 4.570 4.187 3.387 4.620 0.050 16 0 "[ . 1 . 2]" 1
2096 1 95 TYR QD 1 98 LYS HG2 3.930 . 3.930 3.644 3.487 3.851 . 0 0 "[ . 1 . 2]" 1
2097 1 95 TYR QD 1 99 PHE HZ 4.790 . 4.790 4.772 4.420 4.870 0.080 15 0 "[ . 1 . 2]" 1
2098 1 95 TYR QD 1 99 PHE QD 4.600 . 4.600 4.428 3.809 4.616 0.016 12 0 "[ . 1 . 2]" 1
2099 1 95 TYR QD 1 99 PHE QE 3.470 . 3.470 3.239 2.675 3.417 . 0 0 "[ . 1 . 2]" 1
2100 1 95 TYR QD 1 109 THR HB 5.110 . 5.110 4.722 3.136 5.216 0.106 13 0 "[ . 1 . 2]" 1
2101 1 95 TYR QD 1 109 THR MG 4.080 . 4.080 3.370 2.803 4.146 0.066 9 0 "[ . 1 . 2]" 1
2102 1 95 TYR QE 1 96 MET HA 5.190 . 5.190 4.115 3.901 4.227 . 0 0 "[ . 1 . 2]" 1
2103 1 95 TYR QE 1 96 MET HB3 5.500 . 5.500 5.558 5.496 5.601 0.101 16 0 "[ . 1 . 2]" 1
2104 1 95 TYR QE 1 96 MET ME 3.930 . 3.930 3.808 3.648 4.013 0.083 8 0 "[ . 1 . 2]" 1
2105 1 95 TYR QE 1 98 LYS QD 4.520 . 4.520 3.569 2.808 4.001 . 0 0 "[ . 1 . 2]" 1
2106 1 95 TYR QE 1 98 LYS HG2 3.970 . 3.970 4.037 3.969 4.143 0.173 13 0 "[ . 1 . 2]" 1
2107 1 95 TYR QE 1 99 PHE HZ 3.220 . 3.220 2.896 2.305 3.207 . 0 0 "[ . 1 . 2]" 1
2108 1 95 TYR QE 1 99 PHE QD 5.010 . 5.010 4.185 4.062 4.335 . 0 0 "[ . 1 . 2]" 1
2109 1 95 TYR QE 1 99 PHE QE 3.100 . 3.100 1.987 1.870 2.062 . 0 0 "[ . 1 . 2]" 1
2110 1 95 TYR QE 1 103 TYR QD 5.500 . 5.500 4.619 4.447 4.771 . 0 0 "[ . 1 . 2]" 1
2111 1 95 TYR QE 1 103 TYR QE 4.050 . 4.050 4.117 4.029 4.177 0.127 6 0 "[ . 1 . 2]" 1
2112 1 95 TYR QE 1 105 PRO HA 5.420 . 5.420 5.466 5.343 5.530 0.110 6 0 "[ . 1 . 2]" 1
2113 1 95 TYR QE 1 108 ASP HA 5.500 . 5.500 4.339 3.501 5.226 . 0 0 "[ . 1 . 2]" 1
2114 1 95 TYR QE 1 108 ASP HB2 4.340 . 4.340 4.046 3.310 4.429 0.089 8 0 "[ . 1 . 2]" 1
2115 1 95 TYR QE 1 109 THR HB 4.570 . 4.570 3.959 2.051 4.616 0.046 8 0 "[ . 1 . 2]" 1
2116 1 95 TYR QE 1 109 THR MG 4.210 . 4.210 2.263 1.845 2.672 . 0 0 "[ . 1 . 2]" 1
2117 1 96 MET HA 1 96 MET ME 4.020 . 4.020 2.881 2.556 3.118 . 0 0 "[ . 1 . 2]" 1
2118 1 96 MET HA 1 98 LYS H 4.410 . 4.410 3.518 3.379 3.639 . 0 0 "[ . 1 . 2]" 1
2119 1 96 MET HA 1 99 PHE H 4.770 . 4.770 3.399 3.298 3.527 . 0 0 "[ . 1 . 2]" 1
2120 1 96 MET HA 1 99 PHE QD 2.880 . 2.880 2.100 1.998 2.269 . 0 0 "[ . 1 . 2]" 1
2121 1 96 MET HA 1 99 PHE QE 3.410 . 3.410 3.096 2.888 3.299 . 0 0 "[ . 1 . 2]" 1
2122 1 96 MET H 1 96 MET HB3 3.640 . 3.640 3.587 3.568 3.618 . 0 0 "[ . 1 . 2]" 1
2123 1 96 MET H 1 96 MET HB2 2.800 . 2.800 2.620 2.520 2.730 . 0 0 "[ . 1 . 2]" 1
2124 1 96 MET H 1 96 MET ME 4.410 . 4.410 4.370 4.249 4.442 0.032 19 0 "[ . 1 . 2]" 1
2125 1 96 MET H 1 96 MET QG 2.730 . 2.730 2.151 1.996 2.279 . 0 0 "[ . 1 . 2]" 1
2126 1 96 MET H 1 97 GLN H 2.910 . 2.910 2.600 2.534 2.677 . 0 0 "[ . 1 . 2]" 1
2127 1 96 MET H 1 98 LYS H 4.460 . 4.460 4.247 4.165 4.341 . 0 0 "[ . 1 . 2]" 1
2128 1 96 MET HB3 1 96 MET ME 3.730 . 3.730 1.855 1.790 1.921 0.010 16 0 "[ . 1 . 2]" 1
2129 1 96 MET HB3 1 97 GLN H 4.180 . 4.180 3.974 3.881 4.022 . 0 0 "[ . 1 . 2]" 1
2130 1 96 MET HB3 1 97 GLN QE 5.340 . 5.340 3.612 3.516 3.720 . 0 0 "[ . 1 . 2]" 1
2131 1 96 MET HB3 1 98 LYS H 5.110 . 5.110 5.123 5.002 5.156 0.046 6 0 "[ . 1 . 2]" 1
2132 1 96 MET HB3 1 99 PHE QD 4.350 . 4.350 3.059 2.763 3.381 . 0 0 "[ . 1 . 2]" 1
2133 1 96 MET HB3 1 99 PHE QE 4.820 . 4.820 4.489 4.174 4.829 0.009 15 0 "[ . 1 . 2]" 1
2134 1 96 MET HB2 1 96 MET ME 3.900 . 3.900 3.262 3.190 3.344 . 0 0 "[ . 1 . 2]" 1
2135 1 96 MET HB2 1 97 GLN H 3.260 . 3.260 3.013 2.879 3.094 . 0 0 "[ . 1 . 2]" 1
2136 1 96 MET HB2 1 97 GLN HE21 5.240 . 5.240 2.495 2.339 2.667 . 0 0 "[ . 1 . 2]" 1
2137 1 96 MET HB2 1 97 GLN HE22 5.240 . 5.240 3.049 2.788 3.279 . 0 0 "[ . 1 . 2]" 1
2138 1 96 MET HB2 1 97 GLN QE 4.450 . 4.450 2.388 2.235 2.556 . 0 0 "[ . 1 . 2]" 1
2139 1 96 MET HB2 1 98 LYS H 4.980 . 4.980 5.006 4.976 5.034 0.054 1 0 "[ . 1 . 2]" 1
2140 1 96 MET HB2 1 99 PHE H 5.500 . 5.500 5.417 5.347 5.504 0.004 12 0 "[ . 1 . 2]" 1
2141 1 96 MET ME 1 97 GLN HE21 5.230 . 5.230 5.270 5.239 5.291 0.061 1 0 "[ . 1 . 2]" 1
2142 1 96 MET ME 1 97 GLN HE22 5.230 . 5.230 5.356 5.295 5.393 0.163 13 0 "[ . 1 . 2]" 1
2143 1 96 MET ME 1 99 PHE HZ 4.860 . 4.860 4.744 4.453 4.863 0.003 15 0 "[ . 1 . 2]" 1
2144 1 96 MET ME 1 99 PHE QD 3.350 . 3.350 2.453 2.186 2.791 . 0 0 "[ . 1 . 2]" 1
2145 1 96 MET ME 1 99 PHE QE 3.550 . 3.550 2.800 2.463 3.008 . 0 0 "[ . 1 . 2]" 1
2146 1 96 MET ME 1 103 TYR HA 5.350 . 5.350 3.823 3.553 4.103 . 0 0 "[ . 1 . 2]" 1
2147 1 96 MET ME 1 103 TYR HB3 4.150 . 4.150 3.678 3.484 3.915 . 0 0 "[ . 1 . 2]" 1
2148 1 96 MET ME 1 103 TYR HB2 3.950 . 3.950 2.449 2.273 2.726 . 0 0 "[ . 1 . 2]" 1
2149 1 96 MET ME 1 103 TYR QD 4.660 . 4.660 3.352 3.244 3.482 . 0 0 "[ . 1 . 2]" 1
2150 1 96 MET ME 1 103 TYR QE 4.320 . 4.320 4.345 4.209 4.399 0.079 1 0 "[ . 1 . 2]" 1
2151 1 96 MET ME 1 96 MET HG3 3.860 . 3.860 2.997 2.418 3.312 . 0 0 "[ . 1 . 2]" 1
2152 1 96 MET ME 1 96 MET HG2 3.860 . 3.860 2.713 2.332 3.343 . 0 0 "[ . 1 . 2]" 1
2153 1 96 MET ME 1 96 MET QG 3.320 . 3.320 2.346 2.286 2.404 . 0 0 "[ . 1 . 2]" 1
2154 1 96 MET QG 1 99 PHE QD 5.340 . 5.340 3.736 3.255 4.502 . 0 0 "[ . 1 . 2]" 1
2155 1 97 GLN HA 1 97 GLN HG3 3.960 . 3.960 3.764 3.731 3.812 . 0 0 "[ . 1 . 2]" 1
2156 1 97 GLN HA 1 97 GLN HG2 3.960 . 3.960 3.400 3.353 3.449 . 0 0 "[ . 1 . 2]" 1
2157 1 97 GLN HA 1 98 LYS H 3.360 . 3.360 3.397 3.389 3.408 0.048 6 0 "[ . 1 . 2]" 1
2158 1 97 GLN H 1 97 GLN QB 2.800 . 2.800 2.734 2.676 2.780 . 0 0 "[ . 1 . 2]" 1
2159 1 97 GLN H 1 97 GLN HG3 3.740 . 3.740 3.809 3.784 3.836 0.096 3 0 "[ . 1 . 2]" 1
2160 1 97 GLN H 1 97 GLN HG2 3.000 . 3.000 2.282 2.241 2.322 . 0 0 "[ . 1 . 2]" 1
2161 1 97 GLN H 1 97 GLN QG 2.840 . 2.840 2.264 2.225 2.303 . 0 0 "[ . 1 . 2]" 1
2162 1 97 GLN H 1 98 LYS H 2.890 . 2.890 2.671 2.630 2.711 . 0 0 "[ . 1 . 2]" 1
2163 1 97 GLN H 1 98 LYS QB 4.690 . 4.690 4.693 4.587 4.742 0.052 10 0 "[ . 1 . 2]" 1
2164 1 97 GLN H 1 98 LYS HG3 5.270 . 5.270 5.052 4.309 5.366 0.096 3 0 "[ . 1 . 2]" 1
2165 1 97 GLN H 1 98 LYS HG2 5.320 . 5.320 5.046 4.520 5.403 0.083 1 0 "[ . 1 . 2]" 1
2166 1 97 GLN H 1 100 GLY H 5.500 . 5.500 5.449 5.290 5.538 0.038 14 0 "[ . 1 . 2]" 1
2167 1 97 GLN QB 1 98 LYS H 3.600 . 3.600 3.074 2.990 3.129 . 0 0 "[ . 1 . 2]" 1
2168 1 97 GLN QG 1 98 LYS H 4.500 . 4.500 4.188 4.145 4.242 . 0 0 "[ . 1 . 2]" 1
2169 1 98 LYS HA 1 98 LYS QD 4.580 . 4.580 4.279 3.775 4.541 . 0 0 "[ . 1 . 2]" 1
2170 1 98 LYS HA 1 98 LYS HE3 5.500 . 5.500 4.403 3.417 5.638 0.138 12 0 "[ . 1 . 2]" 1
2171 1 98 LYS HA 1 98 LYS HE2 5.500 . 5.500 5.256 4.771 5.644 0.144 4 0 "[ . 1 . 2]" 1
2172 1 98 LYS HA 1 98 LYS HG3 3.990 . 3.990 3.602 3.531 3.658 . 0 0 "[ . 1 . 2]" 1
2173 1 98 LYS HA 1 99 PHE H 3.490 . 3.490 3.420 3.356 3.465 . 0 0 "[ . 1 . 2]" 1
2174 1 98 LYS H 1 98 LYS QB 2.580 . 2.580 2.486 2.388 2.535 . 0 0 "[ . 1 . 2]" 1
2175 1 98 LYS H 1 98 LYS QD 4.590 . 4.590 4.242 3.727 4.592 0.002 7 0 "[ . 1 . 2]" 1
2176 1 98 LYS H 1 98 LYS HG3 2.980 . 2.980 2.763 2.136 3.042 0.062 9 0 "[ . 1 . 2]" 1
2177 1 98 LYS H 1 98 LYS HG2 3.270 . 3.270 3.019 2.547 3.354 0.084 12 0 "[ . 1 . 2]" 1
2178 1 98 LYS H 1 99 PHE HA 5.190 . 5.190 5.075 5.034 5.113 . 0 0 "[ . 1 . 2]" 1
2179 1 98 LYS H 1 99 PHE H 2.480 . 2.480 2.480 2.437 2.513 0.033 16 0 "[ . 1 . 2]" 1
2180 1 98 LYS H 1 99 PHE HB2 5.010 . 5.010 4.764 4.642 4.875 . 0 0 "[ . 1 . 2]" 1
2181 1 98 LYS H 1 100 GLY H 4.310 . 4.310 4.271 4.157 4.365 0.055 3 0 "[ . 1 . 2]" 1
2182 1 98 LYS QB 1 98 LYS HE3 4.480 . 4.480 2.644 1.871 3.622 . 0 0 "[ . 1 . 2]" 1
2183 1 98 LYS QB 1 98 LYS HE2 4.480 . 4.480 3.289 2.491 3.594 . 0 0 "[ . 1 . 2]" 1
2184 1 98 LYS QB 1 98 LYS QE 3.910 . 3.910 2.406 1.860 3.080 . 0 0 "[ . 1 . 2]" 1
2185 1 98 LYS QB 1 99 PHE H 3.710 . 3.710 3.676 3.621 3.719 0.009 2 0 "[ . 1 . 2]" 1
2186 1 98 LYS QB 1 99 PHE QD 5.500 . 5.500 5.097 4.920 5.202 . 0 0 "[ . 1 . 2]" 1
2187 1 98 LYS QB 1 100 GLY H 5.500 . 5.500 5.264 5.113 5.401 . 0 0 "[ . 1 . 2]" 1
2188 1 98 LYS QD 1 99 PHE HZ 4.720 . 4.720 4.066 3.372 4.614 . 0 0 "[ . 1 . 2]" 1
2189 1 98 LYS QD 1 99 PHE QD 4.310 . 4.310 3.883 2.869 4.398 0.088 9 0 "[ . 1 . 2]" 1
2190 1 98 LYS QD 1 99 PHE QE 4.300 . 4.300 3.639 2.942 4.138 . 0 0 "[ . 1 . 2]" 1
2191 1 98 LYS QE 1 99 PHE HZ 5.100 . 5.100 5.005 4.672 5.214 0.114 5 0 "[ . 1 . 2]" 1
2192 1 98 LYS QE 1 99 PHE QE 3.930 . 3.930 3.788 3.349 3.958 0.028 16 0 "[ . 1 . 2]" 1
2193 1 98 LYS HG3 1 99 PHE H 4.310 . 4.310 2.517 2.346 2.643 . 0 0 "[ . 1 . 2]" 1
2194 1 98 LYS HG3 1 99 PHE HZ 5.500 . 5.500 4.988 4.693 5.271 . 0 0 "[ . 1 . 2]" 1
2195 1 98 LYS HG3 1 99 PHE QD 4.460 . 4.460 3.644 3.395 4.004 . 0 0 "[ . 1 . 2]" 1
2196 1 98 LYS HG3 1 99 PHE QE 5.150 . 5.150 4.204 3.955 4.462 . 0 0 "[ . 1 . 2]" 1
2197 1 98 LYS HG2 1 99 PHE H 4.200 . 4.200 3.843 3.394 4.280 0.080 18 0 "[ . 1 . 2]" 1
2198 1 98 LYS HG2 1 99 PHE QD 5.230 . 5.230 4.671 4.165 5.151 . 0 0 "[ . 1 . 2]" 1
2199 1 98 LYS HG2 1 99 PHE QE 5.060 . 5.060 4.694 4.153 5.095 0.035 5 0 "[ . 1 . 2]" 1
2200 1 99 PHE HA 1 99 PHE QD 3.270 . 3.270 2.363 2.214 2.503 . 0 0 "[ . 1 . 2]" 1
2201 1 99 PHE HA 1 99 PHE QE 4.500 . 4.500 4.445 4.324 4.545 0.045 7 0 "[ . 1 . 2]" 1
2202 1 99 PHE HA 1 100 GLY HA3 5.500 . 5.500 4.450 4.411 4.492 . 0 0 "[ . 1 . 2]" 1
2203 1 99 PHE HA 1 100 GLY HA2 5.500 . 5.500 5.078 5.036 5.118 . 0 0 "[ . 1 . 2]" 1
2204 1 99 PHE HA 1 103 TYR HA 5.500 . 5.500 4.602 4.386 4.772 . 0 0 "[ . 1 . 2]" 1
2205 1 99 PHE HA 1 104 LYS QE 5.500 . 5.500 4.226 3.379 5.459 . 0 0 "[ . 1 . 2]" 1
2206 1 99 PHE H 1 99 PHE HB3 3.740 . 3.740 3.662 3.631 3.707 . 0 0 "[ . 1 . 2]" 1
2207 1 99 PHE H 1 99 PHE HB2 2.740 . 2.740 2.499 2.428 2.565 . 0 0 "[ . 1 . 2]" 1
2208 1 99 PHE H 1 100 GLY H 2.680 . 2.680 2.477 2.365 2.572 . 0 0 "[ . 1 . 2]" 1
2209 1 99 PHE H 1 100 GLY QA 4.670 . 4.670 4.332 4.230 4.395 . 0 0 "[ . 1 . 2]" 1
2210 1 99 PHE HZ 1 103 TYR QD 4.770 . 4.770 3.174 2.962 3.343 . 0 0 "[ . 1 . 2]" 1
2211 1 99 PHE HZ 1 103 TYR QE 3.150 . 3.150 2.342 2.226 2.474 . 0 0 "[ . 1 . 2]" 1
2212 1 99 PHE HZ 1 108 ASP HA 3.870 . 3.870 3.744 3.210 3.947 0.077 1 0 "[ . 1 . 2]" 1
2213 1 99 PHE HZ 1 108 ASP HB3 4.130 . 4.130 3.917 2.688 4.181 0.051 19 0 "[ . 1 . 2]" 1
2214 1 99 PHE HZ 1 108 ASP HB2 4.690 . 4.690 2.524 2.191 3.389 . 0 0 "[ . 1 . 2]" 1
2215 1 99 PHE HB3 1 100 GLY H 4.080 . 4.080 3.688 3.482 3.886 . 0 0 "[ . 1 . 2]" 1
2216 1 99 PHE HB3 1 100 GLY QA 5.340 . 5.340 4.396 4.258 4.513 . 0 0 "[ . 1 . 2]" 1
2217 1 99 PHE HB3 1 102 VAL H 4.790 . 4.790 4.191 3.984 4.399 . 0 0 "[ . 1 . 2]" 1
2218 1 99 PHE HB3 1 104 LYS HB3 5.500 . 5.500 5.315 4.664 5.558 0.058 8 0 "[ . 1 . 2]" 1
2219 1 99 PHE HB3 1 104 LYS HB2 5.500 . 5.500 4.365 3.737 5.545 0.045 16 0 "[ . 1 . 2]" 1
2220 1 99 PHE HB3 1 104 LYS QG 5.340 . 5.340 3.648 2.534 4.933 . 0 0 "[ . 1 . 2]" 1
2221 1 99 PHE HB2 1 100 GLY H 3.480 . 3.480 2.802 2.577 3.051 . 0 0 "[ . 1 . 2]" 1
2222 1 99 PHE HB2 1 102 VAL H 5.210 . 5.210 4.927 4.731 5.206 . 0 0 "[ . 1 . 2]" 1
2223 1 99 PHE HB2 1 103 TYR HA 4.700 . 4.700 2.993 2.797 3.127 . 0 0 "[ . 1 . 2]" 1
2224 1 99 PHE HB2 1 103 TYR H 5.340 . 5.340 5.070 4.898 5.258 . 0 0 "[ . 1 . 2]" 1
2225 1 99 PHE HB2 1 104 LYS H 4.280 . 4.280 3.903 3.738 3.984 . 0 0 "[ . 1 . 2]" 1
2226 1 99 PHE QD 1 103 TYR HA 4.940 . 4.940 3.170 3.085 3.295 . 0 0 "[ . 1 . 2]" 1
2227 1 99 PHE QD 1 103 TYR H 5.460 . 5.460 5.344 5.203 5.467 0.007 11 0 "[ . 1 . 2]" 1
2228 1 99 PHE QD 1 103 TYR HB2 3.930 . 3.930 3.619 3.421 3.793 . 0 0 "[ . 1 . 2]" 1
2229 1 99 PHE QD 1 103 TYR QD 4.410 . 4.410 3.138 3.028 3.294 . 0 0 "[ . 1 . 2]" 1
2230 1 99 PHE QD 1 103 TYR QE 4.770 . 4.770 4.433 4.242 4.604 . 0 0 "[ . 1 . 2]" 1
2231 1 99 PHE QD 1 104 LYS H 3.240 . 3.240 2.526 2.189 2.797 . 0 0 "[ . 1 . 2]" 1
2232 1 99 PHE QD 1 104 LYS HB3 4.510 . 4.510 4.544 4.474 4.681 0.171 18 0 "[ . 1 . 2]" 1
2233 1 99 PHE QD 1 104 LYS HB2 4.510 . 4.510 3.499 2.967 4.344 . 0 0 "[ . 1 . 2]" 1
2234 1 99 PHE QD 1 104 LYS QB 3.890 . 3.890 3.349 2.929 3.970 0.080 12 0 "[ . 1 . 2]" 1
2235 1 99 PHE QD 1 107 GLU QB 4.280 . 4.280 3.258 1.964 4.352 0.072 11 0 "[ . 1 . 2]" 1
2236 1 99 PHE QD 1 108 ASP HA 5.500 . 5.500 4.127 3.507 4.764 . 0 0 "[ . 1 . 2]" 1
2237 1 99 PHE QE 1 103 TYR HA 4.510 . 4.510 4.273 4.131 4.428 . 0 0 "[ . 1 . 2]" 1
2238 1 99 PHE QE 1 103 TYR QD 4.300 . 4.300 2.898 2.795 2.984 . 0 0 "[ . 1 . 2]" 1
2239 1 99 PHE QE 1 103 TYR QE 3.110 . 3.110 3.038 2.913 3.133 0.023 14 0 "[ . 1 . 2]" 1
2240 1 99 PHE QE 1 104 LYS H 4.090 . 4.090 3.841 3.450 4.129 0.039 11 0 "[ . 1 . 2]" 1
2241 1 99 PHE QE 1 104 LYS QB 5.340 . 5.340 4.467 4.178 4.937 . 0 0 "[ . 1 . 2]" 1
2242 1 99 PHE QE 1 105 PRO HA 5.500 . 5.500 2.109 2.028 2.280 . 0 0 "[ . 1 . 2]" 1
2243 1 99 PHE QE 1 105 PRO QB 4.140 . 4.140 3.854 3.781 3.964 . 0 0 "[ . 1 . 2]" 1
2244 1 99 PHE QE 1 105 PRO HG3 5.500 . 5.500 5.533 5.322 5.586 0.086 20 0 "[ . 1 . 2]" 1
2245 1 99 PHE QE 1 105 PRO HG2 5.490 . 5.490 5.596 5.539 5.629 0.139 9 0 "[ . 1 . 2]" 1
2246 1 99 PHE QE 1 107 GLU H 5.330 . 5.330 3.539 3.131 3.799 . 0 0 "[ . 1 . 2]" 1
2247 1 99 PHE QE 1 107 GLU HB3 5.500 . 5.500 5.093 4.181 5.518 0.018 1 0 "[ . 1 . 2]" 1
2248 1 99 PHE QE 1 107 GLU HB2 5.500 . 5.500 4.189 2.725 5.418 . 0 0 "[ . 1 . 2]" 1
2249 1 99 PHE QE 1 108 ASP HA 3.790 . 3.790 2.721 2.156 3.100 . 0 0 "[ . 1 . 2]" 1
2250 1 99 PHE QE 1 108 ASP HB3 3.530 . 3.530 3.328 2.272 3.627 0.097 12 0 "[ . 1 . 2]" 1
2251 1 99 PHE QE 1 108 ASP HB2 4.580 . 4.580 2.407 1.908 3.640 . 0 0 "[ . 1 . 2]" 1
2252 1 99 PHE QE 1 109 THR H 5.500 . 5.500 4.693 4.335 5.125 . 0 0 "[ . 1 . 2]" 1
2253 1 100 GLY H 1 100 GLY QA 2.390 . 2.390 2.270 2.238 2.317 . 0 0 "[ . 1 . 2]" 1
2254 1 100 GLY H 1 101 ALA H 4.190 . 4.190 4.242 4.216 4.264 0.074 3 0 "[ . 1 . 2]" 1
2255 1 100 GLY H 1 101 ALA MB 5.500 . 5.500 5.537 5.504 5.556 0.056 13 0 "[ . 1 . 2]" 1
2256 1 100 GLY HA3 1 101 ALA MB 5.500 . 5.500 3.926 3.867 3.985 . 0 0 "[ . 1 . 2]" 1
2257 1 100 GLY HA3 1 102 VAL H 5.010 . 5.010 3.812 3.674 3.882 . 0 0 "[ . 1 . 2]" 1
2258 1 100 GLY HA2 1 101 ALA MB 5.500 . 5.500 4.524 4.476 4.561 . 0 0 "[ . 1 . 2]" 1
2259 1 100 GLY HA2 1 102 VAL H 5.010 . 5.010 5.031 4.893 5.077 0.067 3 0 "[ . 1 . 2]" 1
2260 1 100 GLY QA 1 101 ALA HA 5.340 . 5.340 3.886 3.864 3.910 . 0 0 "[ . 1 . 2]" 1
2261 1 100 GLY QA 1 102 VAL H 4.250 . 4.250 3.704 3.574 3.766 . 0 0 "[ . 1 . 2]" 1
2262 1 101 ALA H 1 101 ALA MB 3.030 . 3.030 2.259 2.197 2.313 . 0 0 "[ . 1 . 2]" 1
2263 1 101 ALA H 1 102 VAL H 3.870 . 3.870 2.455 2.261 2.604 . 0 0 "[ . 1 . 2]" 1
2264 1 101 ALA H 1 102 VAL MG2 5.500 . 5.500 3.833 3.706 3.939 . 0 0 "[ . 1 . 2]" 1
2265 1 101 ALA MB 1 102 VAL H 2.690 . 2.690 2.529 2.332 2.628 . 0 0 "[ . 1 . 2]" 1
2266 1 101 ALA MB 1 102 VAL MG1 4.420 . 4.420 4.154 3.070 4.450 0.030 18 0 "[ . 1 . 2]" 1
2267 1 101 ALA MB 1 102 VAL MG2 3.330 . 3.330 2.411 2.305 2.574 . 0 0 "[ . 1 . 2]" 1
2268 1 102 VAL HA 1 102 VAL MG1 3.400 . 3.400 2.269 2.195 2.312 . 0 0 "[ . 1 . 2]" 1
2269 1 102 VAL HA 1 102 VAL MG2 3.670 . 3.670 2.831 2.683 3.174 . 0 0 "[ . 1 . 2]" 1
2270 1 102 VAL HA 1 103 TYR H 2.680 . 2.680 2.235 2.162 2.299 . 0 0 "[ . 1 . 2]" 1
2271 1 102 VAL HB 1 103 TYR H 3.210 . 3.210 3.114 2.313 3.309 0.099 19 0 "[ . 1 . 2]" 1
2272 1 102 VAL HB 1 104 LYS H 5.040 . 5.040 4.523 4.361 4.952 . 0 0 "[ . 1 . 2]" 1
2273 1 102 VAL HB 1 104 LYS QB 5.340 . 5.340 4.468 3.876 4.836 . 0 0 "[ . 1 . 2]" 1
2274 1 102 VAL HB 1 104 LYS QE 4.160 . 4.160 3.573 2.483 4.146 . 0 0 "[ . 1 . 2]" 1
2275 1 102 VAL H 1 102 VAL HB 3.370 . 3.370 3.075 2.862 3.560 0.190 3 0 "[ . 1 . 2]" 1
2276 1 102 VAL H 1 102 VAL MG1 3.900 . 3.900 3.800 3.251 3.944 0.044 6 0 "[ . 1 . 2]" 1
2277 1 102 VAL H 1 102 VAL MG2 2.970 . 2.970 2.235 2.006 2.402 . 0 0 "[ . 1 . 2]" 1
2278 1 102 VAL H 1 103 TYR H 4.590 . 4.590 4.387 4.314 4.478 . 0 0 "[ . 1 . 2]" 1
2279 1 102 VAL H 1 104 LYS QE 4.830 . 4.830 3.407 2.933 4.228 . 0 0 "[ . 1 . 2]" 1
2280 1 102 VAL H 1 104 LYS QG 5.340 . 5.340 4.261 3.878 5.073 . 0 0 "[ . 1 . 2]" 1
2281 1 102 VAL MG1 1 103 TYR H 3.060 . 3.060 2.226 1.938 3.089 0.029 3 0 "[ . 1 . 2]" 1
2282 1 102 VAL MG1 1 104 LYS QB 5.340 . 5.340 5.065 4.218 5.407 0.067 12 0 "[ . 1 . 2]" 1
2283 1 102 VAL MG1 1 104 LYS QE 5.010 . 5.010 4.681 3.755 4.934 . 0 0 "[ . 1 . 2]" 1
2284 1 102 VAL MG2 1 104 LYS H 5.500 . 5.500 5.395 4.328 5.640 0.140 11 0 "[ . 1 . 2]" 1
2285 1 102 VAL MG2 1 104 LYS QE 4.530 . 4.530 3.442 2.163 4.098 . 0 0 "[ . 1 . 2]" 1
2286 1 103 TYR HA 1 103 TYR QD 3.650 . 3.650 2.467 2.356 2.545 . 0 0 "[ . 1 . 2]" 1
2287 1 103 TYR HA 1 103 TYR QE 5.500 . 5.500 4.712 4.637 4.784 . 0 0 "[ . 1 . 2]" 1
2288 1 103 TYR HA 1 104 LYS HA 5.500 . 5.500 4.339 4.293 4.388 . 0 0 "[ . 1 . 2]" 1
2289 1 103 TYR HA 1 104 LYS H 2.500 . 2.500 2.038 1.998 2.072 . 0 0 "[ . 1 . 2]" 1
2290 1 103 TYR H 1 103 TYR HB3 2.700 . 2.700 2.200 2.116 2.284 . 0 0 "[ . 1 . 2]" 1
2291 1 103 TYR H 1 103 TYR HB2 3.490 . 3.490 2.943 2.857 3.031 . 0 0 "[ . 1 . 2]" 1
2292 1 103 TYR H 1 103 TYR QD 4.210 . 4.210 4.077 3.996 4.170 . 0 0 "[ . 1 . 2]" 1
2293 1 103 TYR H 1 104 LYS H 4.590 . 4.590 4.103 4.044 4.277 . 0 0 "[ . 1 . 2]" 1
2294 1 103 TYR H 1 104 LYS QE 5.500 . 5.500 5.415 4.896 5.580 0.080 16 0 "[ . 1 . 2]" 1
2295 1 103 TYR H 1 105 PRO HD3 5.500 . 5.500 5.563 5.530 5.605 0.105 12 0 "[ . 1 . 2]" 1
2296 1 103 TYR HB3 1 104 LYS H 4.750 . 4.750 4.454 4.416 4.488 . 0 0 "[ . 1 . 2]" 1
2297 1 103 TYR HB2 1 104 LYS H 4.600 . 4.600 4.228 4.125 4.329 . 0 0 "[ . 1 . 2]" 1
2298 1 103 TYR QD 1 104 LYS H 3.690 . 3.690 2.920 2.686 3.068 . 0 0 "[ . 1 . 2]" 1
2299 1 103 TYR QD 1 105 PRO HD3 5.500 . 5.500 3.088 2.986 3.193 . 0 0 "[ . 1 . 2]" 1
2300 1 103 TYR QD 1 105 PRO HD2 5.500 . 5.500 4.467 4.362 4.539 . 0 0 "[ . 1 . 2]" 1
2301 1 103 TYR QE 1 104 LYS HA 5.010 . 5.010 5.005 4.871 5.062 0.052 13 0 "[ . 1 . 2]" 1
2302 1 103 TYR QE 1 104 LYS H 4.740 . 4.740 4.729 4.476 4.800 0.060 7 0 "[ . 1 . 2]" 1
2303 1 103 TYR QE 1 105 PRO HA 3.570 . 3.570 2.577 2.447 2.744 . 0 0 "[ . 1 . 2]" 1
2304 1 103 TYR QE 1 105 PRO QB 3.640 . 3.640 2.208 2.089 2.337 . 0 0 "[ . 1 . 2]" 1
2305 1 103 TYR QE 1 105 PRO HD3 2.990 . 2.990 3.000 2.978 3.020 0.030 16 0 "[ . 1 . 2]" 1
2306 1 103 TYR QE 1 105 PRO HD2 4.350 . 4.350 4.369 4.336 4.395 0.045 16 0 "[ . 1 . 2]" 1
2307 1 103 TYR QE 1 105 PRO HG3 3.410 . 3.410 3.406 3.316 3.443 0.033 9 0 "[ . 1 . 2]" 1
2308 1 103 TYR QE 1 105 PRO HG2 4.500 . 4.500 4.466 4.385 4.502 0.002 15 0 "[ . 1 . 2]" 1
2309 1 103 TYR QE 1 108 ASP HA 5.500 . 5.500 5.427 4.944 5.598 0.098 15 0 "[ . 1 . 2]" 1
2310 1 103 TYR QE 1 108 ASP HB3 4.940 . 4.940 4.586 3.534 4.963 0.023 3 0 "[ . 1 . 2]" 1
2311 1 103 TYR QE 1 108 ASP HB2 5.500 . 5.500 3.761 3.457 5.056 . 0 0 "[ . 1 . 2]" 1
2312 1 104 LYS HA 1 104 LYS QD 4.340 . 4.340 4.170 4.023 4.418 0.078 14 0 "[ . 1 . 2]" 1
2313 1 104 LYS HA 1 104 LYS QE 5.500 . 5.500 4.531 4.141 5.393 . 0 0 "[ . 1 . 2]" 1
2314 1 104 LYS HA 1 104 LYS QG 3.610 . 3.610 2.728 2.358 3.334 . 0 0 "[ . 1 . 2]" 1
2315 1 104 LYS HA 1 105 PRO HD3 3.310 . 3.310 2.677 2.505 2.777 . 0 0 "[ . 1 . 2]" 1
2316 1 104 LYS HA 1 105 PRO HD2 3.360 . 3.360 2.013 1.918 2.073 . 0 0 "[ . 1 . 2]" 1
2317 1 104 LYS HA 1 106 LYS H 3.980 . 3.980 3.675 3.514 3.791 . 0 0 "[ . 1 . 2]" 1
2318 1 104 LYS HA 1 106 LYS QD 4.850 . 4.850 4.427 2.779 4.912 0.062 16 0 "[ . 1 . 2]" 1
2319 1 104 LYS H 1 104 LYS HB3 3.850 . 3.850 3.496 3.103 3.678 . 0 0 "[ . 1 . 2]" 1
2320 1 104 LYS H 1 104 LYS HB2 3.850 . 3.850 2.800 2.376 3.689 . 0 0 "[ . 1 . 2]" 1
2321 1 104 LYS H 1 104 LYS QE 4.550 . 4.550 3.664 2.718 4.424 . 0 0 "[ . 1 . 2]" 1
2322 1 104 LYS H 1 104 LYS QG 3.260 . 3.260 2.494 1.853 3.192 . 0 0 "[ . 1 . 2]" 1
2323 1 104 LYS H 1 105 PRO HA 5.160 . 5.160 4.723 4.512 4.801 . 0 0 "[ . 1 . 2]" 1
2324 1 104 LYS H 1 105 PRO HD3 4.820 . 4.820 3.903 3.735 3.997 . 0 0 "[ . 1 . 2]" 1
2325 1 104 LYS H 1 107 GLU H 5.500 . 5.500 4.974 4.652 5.165 . 0 0 "[ . 1 . 2]" 1
2326 1 104 LYS HB3 1 104 LYS QD 3.130 . 3.130 2.511 2.180 2.737 . 0 0 "[ . 1 . 2]" 1
2327 1 104 LYS HB3 1 105 PRO HD2 5.500 . 5.500 4.045 3.923 4.328 . 0 0 "[ . 1 . 2]" 1
2328 1 104 LYS HB3 1 107 GLU QG 5.500 . 5.500 3.413 2.334 4.942 . 0 0 "[ . 1 . 2]" 1
2329 1 104 LYS HB2 1 104 LYS QD 3.130 . 3.130 2.651 2.230 2.950 . 0 0 "[ . 1 . 2]" 1
2330 1 104 LYS HB2 1 105 PRO HD2 5.500 . 5.500 4.525 3.926 4.810 . 0 0 "[ . 1 . 2]" 1
2331 1 104 LYS HB2 1 107 GLU QG 5.500 . 5.500 3.007 2.191 4.241 . 0 0 "[ . 1 . 2]" 1
2332 1 104 LYS QB 1 104 LYS QD 2.460 . 2.460 2.266 2.038 2.385 . 0 0 "[ . 1 . 2]" 1
2333 1 104 LYS QB 1 105 PRO HD3 5.340 . 5.340 4.412 4.236 4.529 . 0 0 "[ . 1 . 2]" 1
2334 1 104 LYS QB 1 107 GLU QB 4.500 . 4.500 2.980 2.113 4.381 . 0 0 "[ . 1 . 2]" 1
2335 1 104 LYS QB 1 107 GLU QG 4.650 . 4.650 2.720 2.094 3.513 . 0 0 "[ . 1 . 2]" 1
2336 1 104 LYS HG3 1 105 PRO HD3 5.500 . 5.500 5.382 5.184 5.582 0.082 18 0 "[ . 1 . 2]" 1
2337 1 104 LYS HG3 1 105 PRO HD2 5.500 . 5.500 5.117 4.643 5.454 . 0 0 "[ . 1 . 2]" 1
2338 1 104 LYS HG2 1 105 PRO HD3 5.500 . 5.500 5.330 5.061 5.525 0.025 10 0 "[ . 1 . 2]" 1
2339 1 104 LYS HG2 1 105 PRO HD2 5.500 . 5.500 4.742 4.102 5.510 0.010 14 0 "[ . 1 . 2]" 1
2340 1 104 LYS QG 1 106 LYS H 5.340 . 5.340 5.079 4.640 5.311 . 0 0 "[ . 1 . 2]" 1
2341 1 105 PRO HA 1 106 LYS H 3.460 . 3.460 3.470 3.399 3.522 0.062 1 0 "[ . 1 . 2]" 1
2342 1 105 PRO HA 1 108 ASP H 4.270 . 4.270 3.159 2.754 3.522 . 0 0 "[ . 1 . 2]" 1
2343 1 105 PRO HA 1 108 ASP HB3 3.500 . 3.500 2.704 2.040 3.188 . 0 0 "[ . 1 . 2]" 1
2344 1 105 PRO HA 1 108 ASP HB2 4.500 . 4.500 2.506 1.944 3.880 . 0 0 "[ . 1 . 2]" 1
2345 1 105 PRO QB 1 108 ASP H 5.190 . 5.190 4.326 3.974 4.561 . 0 0 "[ . 1 . 2]" 1
2346 1 105 PRO HD3 1 106 LYS H 4.060 . 4.060 3.994 3.851 4.093 0.033 16 0 "[ . 1 . 2]" 1
2347 1 105 PRO HD2 1 106 LYS H 3.740 . 3.740 2.887 2.715 3.009 . 0 0 "[ . 1 . 2]" 1
2348 1 105 PRO HD2 1 106 LYS QD 4.790 . 4.790 4.185 2.619 4.814 0.024 7 0 "[ . 1 . 2]" 1
2349 1 106 LYS HA 1 106 LYS QD 4.320 . 4.320 3.913 2.897 4.420 0.100 20 0 "[ . 1 . 2]" 1
2350 1 106 LYS HA 1 106 LYS QE 5.500 . 5.500 4.635 3.908 5.593 0.093 16 0 "[ . 1 . 2]" 1
2351 1 106 LYS HA 1 106 LYS QG 3.800 . 3.800 2.912 2.303 3.491 . 0 0 "[ . 1 . 2]" 1
2352 1 106 LYS H 1 106 LYS QB 2.530 . 2.530 2.499 2.357 2.566 0.036 7 0 "[ . 1 . 2]" 1
2353 1 106 LYS H 1 106 LYS QD 3.760 . 3.760 3.104 1.788 3.752 0.012 5 0 "[ . 1 . 2]" 1
2354 1 106 LYS H 1 106 LYS QG 3.400 . 3.400 2.452 1.851 3.405 0.005 17 0 "[ . 1 . 2]" 1
2355 1 106 LYS H 1 107 GLU H 2.740 . 2.740 2.799 2.682 2.916 0.176 12 0 "[ . 1 . 2]" 1
2356 1 106 LYS H 1 107 GLU QG 5.040 . 5.040 4.483 4.233 4.768 . 0 0 "[ . 1 . 2]" 1
2357 1 106 LYS QB 1 106 LYS QD 3.130 . 3.130 2.256 2.077 2.664 . 0 0 "[ . 1 . 2]" 1
2358 1 106 LYS QB 1 106 LYS QE 4.550 . 4.550 2.905 1.961 3.759 . 0 0 "[ . 1 . 2]" 1
2359 1 106 LYS QB 1 107 GLU HA 4.990 . 4.990 4.381 4.103 4.683 . 0 0 "[ . 1 . 2]" 1
2360 1 106 LYS QB 1 108 ASP H 4.980 . 4.980 4.755 4.571 5.008 0.028 2 0 "[ . 1 . 2]" 1
2361 1 106 LYS QE 1 106 LYS QG 2.950 . 2.950 2.332 2.077 2.805 . 0 0 "[ . 1 . 2]" 1
2362 1 107 GLU HA 1 107 GLU QG 3.190 . 3.190 2.896 2.370 3.302 0.112 11 0 "[ . 1 . 2]" 1
2363 1 107 GLU H 1 107 GLU QB 2.590 . 2.590 2.501 2.343 2.699 0.109 10 0 "[ . 1 . 2]" 1
2364 1 107 GLU H 1 107 GLU QG 3.430 . 3.430 2.672 2.171 3.118 . 0 0 "[ . 1 . 2]" 1
2365 1 107 GLU H 1 108 ASP H 2.400 . 2.400 2.382 2.202 2.472 0.072 20 0 "[ . 1 . 2]" 1
2366 1 107 GLU H 1 108 ASP HB3 4.550 . 4.550 4.182 3.761 4.598 0.048 15 0 "[ . 1 . 2]" 1
2367 1 107 GLU HB3 1 108 ASP H 4.550 . 4.550 4.360 3.946 4.491 . 0 0 "[ . 1 . 2]" 1
2368 1 107 GLU HB2 1 108 ASP H 4.550 . 4.550 3.933 3.000 4.501 . 0 0 "[ . 1 . 2]" 1
2369 1 107 GLU QB 1 108 ASP H 3.880 . 3.880 3.640 2.913 3.934 0.054 7 0 "[ . 1 . 2]" 1
2370 1 108 ASP HA 1 109 THR H 2.820 . 2.820 2.456 2.068 2.818 . 0 0 "[ . 1 . 2]" 1
2371 1 108 ASP H 1 108 ASP HB3 2.980 . 2.980 2.257 2.008 2.699 . 0 0 "[ . 1 . 2]" 1
2372 1 108 ASP H 1 108 ASP HB2 3.730 . 3.730 2.998 2.605 3.742 0.012 20 0 "[ . 1 . 2]" 1
2373 1 108 ASP H 1 109 THR H 4.700 . 4.700 4.480 4.362 4.671 . 0 0 "[ . 1 . 2]" 1
2374 1 108 ASP H 1 109 THR MG 5.500 . 5.500 5.608 5.339 5.679 0.179 6 0 "[ . 1 . 2]" 1
2375 1 108 ASP HB2 1 109 THR H 4.100 . 4.100 3.229 1.982 3.599 . 0 0 "[ . 1 . 2]" 1
2376 1 109 THR HA 1 109 THR HB 2.980 . 2.980 2.433 2.322 2.495 . 0 0 "[ . 1 . 2]" 1
2377 1 109 THR HA 1 109 THR MG 3.370 . 3.370 3.099 2.213 3.216 . 0 0 "[ . 1 . 2]" 1
2378 1 109 THR H 1 109 THR HB 3.890 . 3.890 2.738 2.371 3.536 . 0 0 "[ . 1 . 2]" 1
2379 1 109 THR H 1 109 THR MG 3.600 . 3.600 1.844 1.741 2.313 0.059 11 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 80
_Distance_constraint_stats_list.Viol_count 580
_Distance_constraint_stats_list.Viol_total 571.935
_Distance_constraint_stats_list.Viol_max 0.172
_Distance_constraint_stats_list.Viol_rms 0.0323
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0179
_Distance_constraint_stats_list.Viol_average_violations_only 0.0493
_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 17 LYS 0.023 0.017 19 0 "[ . 1 . 2]"
1 18 SER 0.404 0.089 4 0 "[ . 1 . 2]"
1 19 LYS 0.146 0.030 12 0 "[ . 1 . 2]"
1 20 GLU 0.884 0.106 1 0 "[ . 1 . 2]"
1 21 VAL 0.365 0.054 18 0 "[ . 1 . 2]"
1 22 PHE 0.421 0.089 4 0 "[ . 1 . 2]"
1 23 ARG 0.335 0.038 16 0 "[ . 1 . 2]"
1 24 LYS 1.823 0.106 1 0 "[ . 1 . 2]"
1 25 GLU 0.665 0.076 5 0 "[ . 1 . 2]"
1 26 MET 1.226 0.080 9 0 "[ . 1 . 2]"
1 27 SER 0.898 0.075 15 0 "[ . 1 . 2]"
1 28 GLN 0.950 0.083 10 0 "[ . 1 . 2]"
1 29 PHE 0.323 0.076 5 0 "[ . 1 . 2]"
1 30 ILE 1.339 0.080 9 0 "[ . 1 . 2]"
1 31 VAL 0.719 0.075 15 0 "[ . 1 . 2]"
1 32 GLN 0.011 0.009 15 0 "[ . 1 . 2]"
1 33 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 LEU 0.130 0.021 7 0 "[ . 1 . 2]"
1 35 ASN 0.009 0.009 19 0 "[ . 1 . 2]"
1 50 THR 0.049 0.026 2 0 "[ . 1 . 2]"
1 51 GLU 0.538 0.057 2 0 "[ . 1 . 2]"
1 52 ASP 0.013 0.013 16 0 "[ . 1 . 2]"
1 53 PHE 0.034 0.012 10 0 "[ . 1 . 2]"
1 54 LYS 0.992 0.082 14 0 "[ . 1 . 2]"
1 55 HIS 1.448 0.081 15 0 "[ . 1 . 2]"
1 56 LEU 0.052 0.017 20 0 "[ . 1 . 2]"
1 57 ALA 1.244 0.079 20 0 "[ . 1 . 2]"
1 58 ARG 1.860 0.123 9 0 "[ . 1 . 2]"
1 59 LYS 0.909 0.081 15 0 "[ . 1 . 2]"
1 60 LEU 0.039 0.017 20 0 "[ . 1 . 2]"
1 61 THR 1.209 0.079 20 0 "[ . 1 . 2]"
1 62 HIS 0.918 0.123 9 0 "[ . 1 . 2]"
1 64 VAL 0.258 0.081 17 0 "[ . 1 . 2]"
1 65 MET 0.024 0.019 20 0 "[ . 1 . 2]"
1 66 ASN 1.208 0.097 1 0 "[ . 1 . 2]"
1 67 LYS 2.065 0.139 13 0 "[ . 1 . 2]"
1 68 GLU 0.258 0.081 17 0 "[ . 1 . 2]"
1 69 LEU 0.024 0.019 20 0 "[ . 1 . 2]"
1 70 LYS 1.208 0.097 1 0 "[ . 1 . 2]"
1 71 TYR 2.065 0.139 13 0 "[ . 1 . 2]"
1 82 GLU 0.376 0.082 17 0 "[ . 1 . 2]"
1 83 ASN 0.702 0.076 20 0 "[ . 1 . 2]"
1 84 VAL 0.926 0.116 18 0 "[ . 1 . 2]"
1 85 LYS 0.002 0.002 11 0 "[ . 1 . 2]"
1 86 HIS 3.224 0.129 7 0 "[ . 1 . 2]"
1 87 LYS 2.332 0.117 18 0 "[ . 1 . 2]"
1 88 THR 2.607 0.116 18 0 "[ . 1 . 2]"
1 89 LYS 0.405 0.054 8 0 "[ . 1 . 2]"
1 90 GLU 5.339 0.129 7 0 "[ . 1 . 2]"
1 91 TYR 2.625 0.117 18 0 "[ . 1 . 2]"
1 92 ILE 1.711 0.108 18 0 "[ . 1 . 2]"
1 93 LYS 3.372 0.172 12 0 "[ . 1 . 2]"
1 94 LYS 2.490 0.116 14 0 "[ . 1 . 2]"
1 95 TYR 0.995 0.081 8 0 "[ . 1 . 2]"
1 96 MET 0.031 0.014 15 0 "[ . 1 . 2]"
1 97 GLN 2.969 0.172 12 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 17 LYS O 1 21 VAL H 2.000 . 2.000 1.932 1.821 2.017 0.017 19 0 "[ . 1 . 2]" 2
2 1 17 LYS O 1 21 VAL N 3.000 . 3.000 2.899 2.796 2.988 . 0 0 "[ . 1 . 2]" 2
3 1 18 SER O 1 22 PHE H 2.000 . 2.000 1.790 1.711 1.875 0.089 4 0 "[ . 1 . 2]" 2
4 1 18 SER O 1 22 PHE N 3.000 . 3.000 2.692 2.605 2.764 . 0 0 "[ . 1 . 2]" 2
5 1 19 LYS O 1 23 ARG H 2.000 . 2.000 1.828 1.770 1.967 0.030 12 0 "[ . 1 . 2]" 2
6 1 19 LYS O 1 23 ARG N 3.000 . 3.000 2.769 2.718 2.894 . 0 0 "[ . 1 . 2]" 2
7 1 20 GLU O 1 24 LYS H 2.000 . 2.000 2.036 1.934 2.106 0.106 1 0 "[ . 1 . 2]" 2
8 1 20 GLU O 1 24 LYS N 3.000 . 3.000 2.865 2.791 2.925 . 0 0 "[ . 1 . 2]" 2
9 1 21 VAL O 1 25 GLU H 2.000 . 2.000 1.997 1.853 2.054 0.054 18 0 "[ . 1 . 2]" 2
10 1 21 VAL O 1 25 GLU N 3.000 . 3.000 2.934 2.799 3.001 0.001 18 0 "[ . 1 . 2]" 2
11 1 22 PHE O 1 26 MET H 2.000 . 2.000 1.856 1.783 1.954 0.017 15 0 "[ . 1 . 2]" 2
12 1 22 PHE O 1 26 MET N 3.000 . 3.000 2.815 2.719 2.927 . 0 0 "[ . 1 . 2]" 2
13 1 23 ARG O 1 27 SER H 2.000 . 2.000 1.969 1.856 2.038 0.038 16 0 "[ . 1 . 2]" 2
14 1 23 ARG O 1 27 SER N 3.000 . 3.000 2.813 2.723 2.891 . 0 0 "[ . 1 . 2]" 2
15 1 24 LYS O 1 28 GLN H 2.000 . 2.000 2.041 1.918 2.083 0.083 10 0 "[ . 1 . 2]" 2
16 1 24 LYS O 1 28 GLN N 3.000 . 3.000 2.958 2.823 3.021 0.021 10 0 "[ . 1 . 2]" 2
17 1 25 GLU O 1 29 PHE H 2.000 . 2.000 1.891 1.776 2.076 0.076 5 0 "[ . 1 . 2]" 2
18 1 25 GLU O 1 29 PHE N 3.000 . 3.000 2.824 2.727 2.992 . 0 0 "[ . 1 . 2]" 2
19 1 26 MET O 1 30 ILE H 2.000 . 2.000 1.740 1.720 1.764 0.080 9 0 "[ . 1 . 2]" 2
20 1 26 MET O 1 30 ILE N 3.000 . 3.000 2.705 2.686 2.734 . 0 0 "[ . 1 . 2]" 2
21 1 27 SER O 1 31 VAL H 2.000 . 2.000 1.765 1.725 1.798 0.075 15 0 "[ . 1 . 2]" 2
22 1 27 SER O 1 31 VAL N 3.000 . 3.000 2.734 2.701 2.766 . 0 0 "[ . 1 . 2]" 2
23 1 28 GLN O 1 32 GLN H 2.000 . 2.000 1.898 1.798 2.009 0.009 15 0 "[ . 1 . 2]" 2
24 1 28 GLN O 1 32 GLN N 3.000 . 3.000 2.844 2.756 2.943 . 0 0 "[ . 1 . 2]" 2
25 1 29 PHE O 1 33 CYS H 2.000 . 2.000 1.930 1.894 1.986 . 0 0 "[ . 1 . 2]" 2
26 1 29 PHE O 1 33 CYS N 3.000 . 3.000 2.837 2.804 2.872 . 0 0 "[ . 1 . 2]" 2
27 1 30 ILE O 1 34 LEU H 2.000 . 2.000 1.803 1.779 1.865 0.021 7 0 "[ . 1 . 2]" 2
28 1 30 ILE O 1 34 LEU N 3.000 . 3.000 2.712 2.681 2.761 . 0 0 "[ . 1 . 2]" 2
29 1 31 VAL O 1 35 ASN H 2.000 . 2.000 1.948 1.863 2.009 0.009 19 0 "[ . 1 . 2]" 2
30 1 31 VAL O 1 35 ASN N 3.000 . 3.000 2.813 2.744 2.880 . 0 0 "[ . 1 . 2]" 2
31 1 50 THR O 1 54 LYS H 2.000 . 2.000 1.830 1.774 1.898 0.026 2 0 "[ . 1 . 2]" 2
32 1 50 THR O 1 54 LYS N 3.000 . 3.000 2.785 2.734 2.854 . 0 0 "[ . 1 . 2]" 2
33 1 51 GLU O 1 55 HIS H 2.000 . 2.000 2.025 1.971 2.057 0.057 2 0 "[ . 1 . 2]" 2
34 1 51 GLU O 1 55 HIS N 3.000 . 3.000 2.883 2.826 2.920 . 0 0 "[ . 1 . 2]" 2
35 1 52 ASP O 1 56 LEU H 2.000 . 2.000 1.906 1.831 2.013 0.013 16 0 "[ . 1 . 2]" 2
36 1 52 ASP O 1 56 LEU N 3.000 . 3.000 2.866 2.793 2.975 . 0 0 "[ . 1 . 2]" 2
37 1 53 PHE O 1 57 ALA H 2.000 . 2.000 1.826 1.788 1.873 0.012 10 0 "[ . 1 . 2]" 2
38 1 53 PHE O 1 57 ALA N 3.000 . 3.000 2.790 2.759 2.839 . 0 0 "[ . 1 . 2]" 2
39 1 54 LYS O 1 58 ARG H 2.000 . 2.000 2.047 2.009 2.082 0.082 14 0 "[ . 1 . 2]" 2
40 1 54 LYS O 1 58 ARG N 3.000 . 3.000 2.959 2.925 2.991 . 0 0 "[ . 1 . 2]" 2
41 1 55 HIS O 1 59 LYS H 2.000 . 2.000 2.039 1.945 2.081 0.081 15 0 "[ . 1 . 2]" 2
42 1 55 HIS O 1 59 LYS N 3.000 . 3.000 2.955 2.866 3.040 0.040 15 0 "[ . 1 . 2]" 2
43 1 56 LEU O 1 60 LEU H 2.000 . 2.000 1.833 1.783 1.908 0.017 20 0 "[ . 1 . 2]" 2
44 1 56 LEU O 1 60 LEU N 3.000 . 3.000 2.811 2.762 2.885 . 0 0 "[ . 1 . 2]" 2
45 1 57 ALA O 1 61 THR H 2.000 . 2.000 2.058 2.041 2.079 0.079 20 0 "[ . 1 . 2]" 2
46 1 57 ALA O 1 61 THR N 3.000 . 3.000 2.996 2.975 3.011 0.011 20 0 "[ . 1 . 2]" 2
47 1 58 ARG O 1 62 HIS H 2.000 . 2.000 2.045 1.991 2.123 0.123 9 0 "[ . 1 . 2]" 2
48 1 58 ARG O 1 62 HIS N 3.000 . 3.000 2.930 2.895 2.992 . 0 0 "[ . 1 . 2]" 2
49 1 64 VAL O 1 68 GLU H 2.000 . 2.000 1.979 1.930 2.081 0.081 17 0 "[ . 1 . 2]" 2
50 1 64 VAL O 1 68 GLU N 3.000 . 3.000 2.930 2.873 3.053 0.053 17 0 "[ . 1 . 2]" 2
51 1 65 MET O 1 69 LEU H 2.000 . 2.000 1.844 1.781 1.891 0.019 20 0 "[ . 1 . 2]" 2
52 1 65 MET O 1 69 LEU N 3.000 . 3.000 2.816 2.757 2.863 . 0 0 "[ . 1 . 2]" 2
53 1 66 ASN O 1 70 LYS H 2.000 . 2.000 2.060 2.003 2.097 0.097 1 0 "[ . 1 . 2]" 2
54 1 66 ASN O 1 70 LYS N 3.000 . 3.000 2.862 2.778 2.951 . 0 0 "[ . 1 . 2]" 2
55 1 67 LYS O 1 71 TYR H 2.000 . 2.000 2.092 2.009 2.139 0.139 13 0 "[ . 1 . 2]" 2
56 1 67 LYS O 1 71 TYR N 3.000 . 3.000 2.972 2.849 3.059 0.059 9 0 "[ . 1 . 2]" 2
57 1 82 GLU O 1 86 HIS H 2.000 . 2.000 1.789 1.718 1.843 0.082 17 0 "[ . 1 . 2]" 2
58 1 82 GLU O 1 86 HIS N 3.000 . 3.000 2.731 2.654 2.788 . 0 0 "[ . 1 . 2]" 2
59 1 83 ASN O 1 87 LYS H 2.000 . 2.000 2.024 1.946 2.076 0.076 20 0 "[ . 1 . 2]" 2
60 1 83 ASN O 1 87 LYS N 3.000 . 3.000 2.990 2.913 3.029 0.029 20 0 "[ . 1 . 2]" 2
61 1 84 VAL O 1 88 THR H 2.000 . 2.000 2.041 1.914 2.116 0.116 18 0 "[ . 1 . 2]" 2
62 1 84 VAL O 1 88 THR N 3.000 . 3.000 2.832 2.736 2.885 . 0 0 "[ . 1 . 2]" 2
63 1 85 LYS O 1 89 LYS H 2.000 . 2.000 1.853 1.798 1.953 0.002 11 0 "[ . 1 . 2]" 2
64 1 85 LYS O 1 89 LYS N 3.000 . 3.000 2.827 2.774 2.929 . 0 0 "[ . 1 . 2]" 2
65 1 86 HIS O 1 90 GLU H 2.000 . 2.000 2.105 2.081 2.129 0.129 7 0 "[ . 1 . 2]" 2
66 1 86 HIS O 1 90 GLU N 3.000 . 3.000 3.038 3.011 3.065 0.065 12 0 "[ . 1 . 2]" 2
67 1 87 LYS O 1 91 TYR H 2.000 . 2.000 2.081 2.035 2.117 0.117 18 0 "[ . 1 . 2]" 2
68 1 87 LYS O 1 91 TYR N 3.000 . 3.000 2.810 2.767 2.858 . 0 0 "[ . 1 . 2]" 2
69 1 88 THR O 1 92 ILE H 2.000 . 2.000 1.716 1.692 1.746 0.108 18 0 "[ . 1 . 2]" 2
70 1 88 THR O 1 92 ILE N 3.000 . 3.000 2.704 2.678 2.734 . 0 0 "[ . 1 . 2]" 2
71 1 89 LYS O 1 93 LYS H 2.000 . 2.000 1.999 1.873 2.054 0.054 8 0 "[ . 1 . 2]" 2
72 1 89 LYS O 1 93 LYS N 3.000 . 3.000 2.966 2.850 3.025 0.025 8 0 "[ . 1 . 2]" 2
73 1 90 GLU O 1 94 LYS H 2.000 . 2.000 2.097 2.049 2.116 0.116 14 0 "[ . 1 . 2]" 2
74 1 90 GLU O 1 94 LYS N 3.000 . 3.000 3.027 2.979 3.060 0.060 14 0 "[ . 1 . 2]" 2
75 1 91 TYR O 1 95 TYR H 2.000 . 2.000 1.750 1.719 1.767 0.081 8 0 "[ . 1 . 2]" 2
76 1 91 TYR O 1 95 TYR N 3.000 . 3.000 2.675 2.641 2.697 . 0 0 "[ . 1 . 2]" 2
77 1 92 ILE O 1 96 MET H 2.000 . 2.000 1.824 1.786 1.895 0.014 15 0 "[ . 1 . 2]" 2
78 1 92 ILE O 1 96 MET N 3.000 . 3.000 2.802 2.768 2.871 . 0 0 "[ . 1 . 2]" 2
79 1 93 LYS O 1 97 GLN H 2.000 . 2.000 2.143 2.074 2.172 0.172 12 0 "[ . 1 . 2]" 2
80 1 93 LYS O 1 97 GLN N 3.000 . 3.000 2.998 2.944 3.020 0.020 14 0 "[ . 1 . 2]" 2
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