NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
524257 |
2la8   |
17515 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2la8
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 2225
_Distance_constraint_stats_list.Viol_count 1722
_Distance_constraint_stats_list.Viol_total 1686.667
_Distance_constraint_stats_list.Viol_max 0.437
_Distance_constraint_stats_list.Viol_rms 0.0154
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0019
_Distance_constraint_stats_list.Viol_average_violations_only 0.0490
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 LEU 0.194 0.083 4 0 "[ . 1 . 2]"
1 2 GLU 0.239 0.026 11 0 "[ . 1 . 2]"
1 3 LYS 0.964 0.048 9 0 "[ . 1 . 2]"
1 4 PHE 2.181 0.195 4 0 "[ . 1 . 2]"
1 5 ASN 0.020 0.009 15 0 "[ . 1 . 2]"
1 6 VAL 4.038 0.213 11 0 "[ . 1 . 2]"
1 7 ASP 0.584 0.041 7 0 "[ . 1 . 2]"
1 8 LEU 8.512 0.299 8 0 "[ . 1 . 2]"
1 9 MET 0.524 0.093 17 0 "[ . 1 . 2]"
1 10 LYS 9.785 0.259 3 0 "[ . 1 . 2]"
1 11 LYS 0.090 0.026 5 0 "[ . 1 . 2]"
1 12 ALA 1.061 0.063 5 0 "[ . 1 . 2]"
1 13 GLY 0.514 0.104 9 0 "[ . 1 . 2]"
1 14 LYS 2.170 0.114 11 0 "[ . 1 . 2]"
1 15 GLU 0.266 0.076 2 0 "[ . 1 . 2]"
1 16 LEU 3.683 0.164 17 0 "[ . 1 . 2]"
1 17 GLY 0.400 0.090 17 0 "[ . 1 . 2]"
1 18 LEU 4.520 0.227 7 0 "[ . 1 . 2]"
1 19 SER 0.722 0.078 17 0 "[ . 1 . 2]"
1 20 LEU 6.489 0.227 7 0 "[ . 1 . 2]"
1 21 SER 0.105 0.016 5 0 "[ . 1 . 2]"
1 22 PRO 0.038 0.011 11 0 "[ . 1 . 2]"
1 23 ASN 0.733 0.099 8 0 "[ . 1 . 2]"
1 24 GLU 0.027 0.027 8 0 "[ . 1 . 2]"
1 25 ILE 0.104 0.019 7 0 "[ . 1 . 2]"
1 26 GLY 0.232 0.021 14 0 "[ . 1 . 2]"
1 27 CYS 0.341 0.044 8 0 "[ . 1 . 2]"
1 28 THR 0.489 0.041 6 0 "[ . 1 . 2]"
1 29 ILE 2.275 0.140 6 0 "[ . 1 . 2]"
1 30 ALA 0.026 0.010 9 0 "[ . 1 . 2]"
1 31 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LEU 5.700 0.161 20 0 "[ . 1 . 2]"
1 33 ILE 4.226 0.192 16 0 "[ . 1 . 2]"
1 34 GLN 0.050 0.050 16 0 "[ . 1 . 2]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLN 0.171 0.085 16 0 "[ . 1 . 2]"
1 37 TYR 0.877 0.055 16 0 "[ . 1 . 2]"
1 38 PRO 0.900 0.055 16 0 "[ . 1 . 2]"
1 39 GLU 0.454 0.029 7 0 "[ . 1 . 2]"
1 40 ILE 0.721 0.110 15 0 "[ . 1 . 2]"
1 41 ASP 0.092 0.023 19 0 "[ . 1 . 2]"
1 42 SER 1.265 0.038 14 0 "[ . 1 . 2]"
1 43 LYS 2.613 0.195 4 0 "[ . 1 . 2]"
1 44 LEU 7.722 0.281 6 0 "[ . 1 . 2]"
1 45 GLN 0.021 0.009 17 0 "[ . 1 . 2]"
1 46 ARG 0.162 0.024 7 0 "[ . 1 . 2]"
1 47 GLY 0.030 0.015 13 0 "[ . 1 . 2]"
1 48 ASP 0.609 0.056 13 0 "[ . 1 . 2]"
1 49 ILE 1.032 0.044 15 0 "[ . 1 . 2]"
1 50 ILE 4.904 0.223 8 0 "[ . 1 . 2]"
1 51 THR 0.236 0.044 8 0 "[ . 1 . 2]"
1 52 LYS 0.094 0.018 9 0 "[ . 1 . 2]"
1 53 PHE 5.611 0.182 13 0 "[ . 1 . 2]"
1 54 ASN 0.186 0.017 18 0 "[ . 1 . 2]"
1 55 GLY 0.000 0.000 12 0 "[ . 1 . 2]"
1 56 ASP 0.091 0.018 9 0 "[ . 1 . 2]"
1 57 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LEU 3.885 0.182 13 0 "[ . 1 . 2]"
1 59 GLU 0.016 0.007 12 0 "[ . 1 . 2]"
1 60 GLY 0.002 0.002 6 0 "[ . 1 . 2]"
1 61 LEU 0.305 0.095 10 0 "[ . 1 . 2]"
1 62 PRO 0.135 0.027 10 0 "[ . 1 . 2]"
1 63 PHE 0.177 0.012 8 0 "[ . 1 . 2]"
1 64 GLN 0.000 0.000 2 0 "[ . 1 . 2]"
1 65 VAL 0.272 0.027 10 0 "[ . 1 . 2]"
1 66 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 TYR 0.006 0.006 6 0 "[ . 1 . 2]"
1 68 ALA 0.525 0.025 2 0 "[ . 1 . 2]"
1 69 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 PHE 1.817 0.157 18 0 "[ . 1 . 2]"
1 71 LYS 0.520 0.025 2 0 "[ . 1 . 2]"
1 72 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ALA 5.406 0.164 2 0 "[ . 1 . 2]"
1 74 ASN 1.161 0.057 13 0 "[ . 1 . 2]"
1 75 GLY 0.500 0.057 13 0 "[ . 1 . 2]"
1 76 LYS 1.266 0.065 20 0 "[ . 1 . 2]"
1 77 VAL 20.407 0.299 8 0 "[ . 1 . 2]"
1 78 SER 0.752 0.044 17 0 "[ . 1 . 2]"
1 79 MET 0.271 0.026 2 0 "[ . 1 . 2]"
1 80 GLU 0.803 0.048 9 0 "[ . 1 . 2]"
1 81 VAL 6.679 0.281 6 0 "[ . 1 . 2]"
1 82 THR 0.188 0.032 9 0 "[ . 1 . 2]"
1 83 ARG 0.621 0.050 14 0 "[ . 1 . 2]"
1 84 PRO 0.901 0.083 4 0 "[ . 1 . 2]"
1 85 LYS 0.111 0.017 15 0 "[ . 1 . 2]"
1 86 PRO 0.013 0.004 13 0 "[ . 1 . 2]"
1 87 GLY 0.012 0.004 13 0 "[ . 1 . 2]"
1 88 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 LEU 0.054 0.054 7 0 "[ . 1 . 2]"
1 95 VAL 0.552 0.054 7 0 "[ . 1 . 2]"
1 96 PRO 0.619 0.032 13 0 "[ . 1 . 2]"
1 97 ARG 0.225 0.039 9 0 "[ . 1 . 2]"
1 98 LEU 0.276 0.039 9 0 "[ . 1 . 2]"
1 99 LEU 0.016 0.016 17 0 "[ . 1 . 2]"
1 100 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 ARG 6.077 0.437 15 0 "[ . 1 . 2]"
1 102 ASN 0.829 0.075 2 0 "[ . 1 . 2]"
1 103 GLN 1.746 0.116 6 0 "[ . 1 . 2]"
1 104 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 TRP 13.014 0.437 15 0 "[ . 1 . 2]"
1 106 VAL 2.701 0.164 17 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 LEU HA 1 1 LEU HG 3.660 . 3.660 2.472 2.183 3.436 . 0 0 "[ . 1 . 2]" 1
2 1 1 LEU HA 1 2 GLU H 2.460 . 2.460 2.187 2.145 2.295 . 0 0 "[ . 1 . 2]" 1
3 1 1 LEU HA 1 82 THR MG 5.210 . 5.210 3.758 3.429 4.202 . 0 0 "[ . 1 . 2]" 1
4 1 1 LEU HA 1 83 ARG H 5.460 . 5.460 4.848 4.462 5.293 . 0 0 "[ . 1 . 2]" 1
5 1 1 LEU QB 1 2 GLU H 4.760 . 4.760 3.503 2.914 3.859 . 0 0 "[ . 1 . 2]" 1
6 1 1 LEU QB 1 3 LYS QE 5.670 . 5.670 3.303 2.928 3.673 . 0 0 "[ . 1 . 2]" 1
7 1 1 LEU QB 1 82 THR HA 6.380 . 6.380 4.885 4.509 5.267 . 0 0 "[ . 1 . 2]" 1
8 1 1 LEU QB 1 82 THR HB 6.380 . 6.380 4.924 4.539 5.442 . 0 0 "[ . 1 . 2]" 1
9 1 1 LEU QB 1 82 THR MG 5.050 . 5.050 2.329 2.077 2.704 . 0 0 "[ . 1 . 2]" 1
10 1 1 LEU QB 1 83 ARG H 6.380 . 6.380 4.654 3.950 5.141 . 0 0 "[ . 1 . 2]" 1
11 1 1 LEU QB 1 84 PRO HA 5.630 . 5.630 3.259 2.061 3.783 . 0 0 "[ . 1 . 2]" 1
12 1 1 LEU QB 1 84 PRO HD3 6.290 . 6.290 4.682 3.583 5.273 . 0 0 "[ . 1 . 2]" 1
13 1 1 LEU MD1 1 84 PRO HA 4.690 . 4.690 3.166 1.936 3.789 . 0 0 "[ . 1 . 2]" 1
14 1 1 LEU MD2 1 84 PRO HA 4.690 . 4.690 2.978 1.901 3.668 . 0 0 "[ . 1 . 2]" 1
15 1 1 LEU QD 1 2 GLU H 6.810 . 6.810 4.176 3.725 4.409 . 0 0 "[ . 1 . 2]" 1
16 1 1 LEU QD 1 3 LYS QE 6.790 . 6.790 3.552 3.153 4.006 . 0 0 "[ . 1 . 2]" 1
17 1 1 LEU QD 1 82 THR HA 7.540 . 7.540 5.077 4.840 5.388 . 0 0 "[ . 1 . 2]" 1
18 1 1 LEU QD 1 82 THR HB 6.500 . 6.500 4.090 3.729 4.503 . 0 0 "[ . 1 . 2]" 1
19 1 1 LEU QD 1 82 THR MG 5.780 . 5.780 2.169 1.887 2.585 . 0 0 "[ . 1 . 2]" 1
20 1 1 LEU QD 1 84 PRO QB 7.360 . 7.360 2.071 1.717 2.862 0.083 4 0 "[ . 1 . 2]" 1
21 1 1 LEU QD 1 84 PRO HD3 6.060 . 6.060 3.521 2.987 4.127 . 0 0 "[ . 1 . 2]" 1
22 1 1 LEU QD 1 85 LYS QD 7.730 . 7.730 3.596 2.147 4.820 . 0 0 "[ . 1 . 2]" 1
23 1 1 LEU QD 1 85 LYS QE 7.910 . 7.910 3.805 2.551 4.925 . 0 0 "[ . 1 . 2]" 1
24 1 1 LEU QD 1 85 LYS QG 7.220 . 7.220 3.846 2.789 4.679 . 0 0 "[ . 1 . 2]" 1
25 1 1 LEU QD 1 85 LYS H 5.770 . 5.770 3.073 2.249 3.696 . 0 0 "[ . 1 . 2]" 1
26 1 1 LEU HG 1 82 THR MG 5.860 . 5.860 3.535 2.570 4.369 . 0 0 "[ . 1 . 2]" 1
27 1 1 LEU HG 1 84 PRO HA 4.380 . 4.380 2.309 1.951 4.132 . 0 0 "[ . 1 . 2]" 1
28 1 2 GLU HA 1 2 GLU HG3 3.600 . 3.600 2.261 2.110 2.400 . 0 0 "[ . 1 . 2]" 1
29 1 2 GLU HA 1 2 GLU HG2 3.600 . 3.600 3.517 3.129 3.605 0.005 5 0 "[ . 1 . 2]" 1
30 1 2 GLU HA 1 3 LYS HA 4.780 . 4.780 4.488 4.457 4.513 . 0 0 "[ . 1 . 2]" 1
31 1 2 GLU HA 1 3 LYS HB2 4.690 . 4.690 4.691 4.611 4.716 0.026 11 0 "[ . 1 . 2]" 1
32 1 2 GLU HA 1 3 LYS QD 6.380 . 6.380 5.050 4.997 5.116 . 0 0 "[ . 1 . 2]" 1
33 1 2 GLU HA 1 3 LYS HG3 4.810 . 4.810 3.336 3.286 3.399 . 0 0 "[ . 1 . 2]" 1
34 1 2 GLU HA 1 3 LYS HG2 5.020 . 5.020 4.534 4.413 4.603 . 0 0 "[ . 1 . 2]" 1
35 1 2 GLU HA 1 3 LYS H 2.580 . 2.580 2.347 2.310 2.384 . 0 0 "[ . 1 . 2]" 1
36 1 2 GLU HB3 1 3 LYS HA 5.500 . 5.500 4.034 3.966 4.091 . 0 0 "[ . 1 . 2]" 1
37 1 2 GLU HB3 1 3 LYS H 4.200 . 4.200 3.193 3.060 3.280 . 0 0 "[ . 1 . 2]" 1
38 1 2 GLU HB2 1 3 LYS HA 5.500 . 5.500 5.495 5.454 5.524 0.024 18 0 "[ . 1 . 2]" 1
39 1 2 GLU HB2 1 3 LYS H 4.200 . 4.200 4.081 4.002 4.146 . 0 0 "[ . 1 . 2]" 1
40 1 2 GLU HG3 1 3 LYS HA 5.370 . 5.370 4.744 4.512 5.249 . 0 0 "[ . 1 . 2]" 1
41 1 2 GLU HG2 1 3 LYS HA 5.370 . 5.370 5.212 4.397 5.378 0.008 13 0 "[ . 1 . 2]" 1
42 1 2 GLU QG 1 3 LYS H 4.590 . 4.590 2.171 2.006 2.345 . 0 0 "[ . 1 . 2]" 1
43 1 2 GLU H 1 2 GLU HB3 3.580 . 3.580 2.987 2.889 3.071 . 0 0 "[ . 1 . 2]" 1
44 1 2 GLU H 1 2 GLU HB2 3.580 . 3.580 2.240 2.121 2.341 . 0 0 "[ . 1 . 2]" 1
45 1 2 GLU H 1 2 GLU QB 3.860 . 3.860 2.178 2.085 2.256 . 0 0 "[ . 1 . 2]" 1
46 1 2 GLU H 1 82 THR MG 5.750 . 5.750 3.857 3.674 4.067 . 0 0 "[ . 1 . 2]" 1
47 1 2 GLU H 1 83 ARG QB 5.370 . 5.370 3.592 3.343 4.473 . 0 0 "[ . 1 . 2]" 1
48 1 2 GLU H 1 83 ARG H 4.300 . 4.300 3.548 3.296 3.702 . 0 0 "[ . 1 . 2]" 1
49 1 3 LYS HA 1 3 LYS QD 4.900 . 4.900 4.081 4.066 4.096 . 0 0 "[ . 1 . 2]" 1
50 1 3 LYS HA 1 3 LYS QE 5.500 . 5.500 4.500 4.340 4.679 . 0 0 "[ . 1 . 2]" 1
51 1 3 LYS HA 1 3 LYS HG3 3.810 . 3.810 3.291 3.243 3.349 . 0 0 "[ . 1 . 2]" 1
52 1 3 LYS HA 1 3 LYS HG2 3.710 . 3.710 2.716 2.649 2.753 . 0 0 "[ . 1 . 2]" 1
53 1 3 LYS HA 1 4 PHE H 2.670 . 2.670 2.142 2.132 2.151 . 0 0 "[ . 1 . 2]" 1
54 1 3 LYS HA 1 81 VAL QG 7.030 . 7.030 4.131 4.021 4.278 . 0 0 "[ . 1 . 2]" 1
55 1 3 LYS HA 1 81 VAL H 5.380 . 5.380 4.787 4.657 4.840 . 0 0 "[ . 1 . 2]" 1
56 1 3 LYS HA 1 82 THR HA 3.160 . 3.160 2.215 2.136 2.298 . 0 0 "[ . 1 . 2]" 1
57 1 3 LYS HA 1 82 THR HB 5.250 . 5.250 5.130 5.039 5.251 0.001 9 0 "[ . 1 . 2]" 1
58 1 3 LYS HA 1 82 THR MG 4.820 . 4.820 3.789 3.727 3.842 . 0 0 "[ . 1 . 2]" 1
59 1 3 LYS HA 1 82 THR H 4.980 . 4.980 4.632 4.558 4.693 . 0 0 "[ . 1 . 2]" 1
60 1 3 LYS HA 1 83 ARG H 3.950 . 3.950 3.121 3.019 3.233 . 0 0 "[ . 1 . 2]" 1
61 1 3 LYS HB3 1 3 LYS QE 4.990 . 4.990 3.522 3.328 3.631 . 0 0 "[ . 1 . 2]" 1
62 1 3 LYS HB3 1 4 PHE HA 5.070 . 5.070 4.620 4.541 4.660 . 0 0 "[ . 1 . 2]" 1
63 1 3 LYS HB3 1 80 GLU HB3 5.420 . 5.420 4.169 4.033 4.266 . 0 0 "[ . 1 . 2]" 1
64 1 3 LYS HB3 1 80 GLU QG 5.530 . 5.530 3.320 3.155 3.571 . 0 0 "[ . 1 . 2]" 1
65 1 3 LYS HB3 1 82 THR HA 4.370 . 4.370 3.377 3.265 3.529 . 0 0 "[ . 1 . 2]" 1
66 1 3 LYS HB3 1 82 THR MG 5.470 . 5.470 4.099 3.992 4.153 . 0 0 "[ . 1 . 2]" 1
67 1 3 LYS HB2 1 4 PHE HA 4.970 . 4.970 4.498 4.463 4.532 . 0 0 "[ . 1 . 2]" 1
68 1 3 LYS HB2 1 80 GLU HB3 5.500 . 5.500 5.527 5.513 5.548 0.048 9 0 "[ . 1 . 2]" 1
69 1 3 LYS HB2 1 80 GLU QG 5.420 . 5.420 4.080 3.867 4.468 . 0 0 "[ . 1 . 2]" 1
70 1 3 LYS HB2 1 82 THR HA 4.640 . 4.640 4.478 4.393 4.552 . 0 0 "[ . 1 . 2]" 1
71 1 3 LYS HB2 1 82 THR MG 5.870 . 5.870 4.627 4.537 4.672 . 0 0 "[ . 1 . 2]" 1
72 1 3 LYS QB 1 4 PHE H 4.130 . 4.130 3.105 3.096 3.115 . 0 0 "[ . 1 . 2]" 1
73 1 3 LYS QD 1 80 GLU HB3 5.720 . 5.720 4.754 4.739 4.773 . 0 0 "[ . 1 . 2]" 1
74 1 3 LYS QD 1 82 THR HA 5.170 . 5.170 4.340 4.223 4.432 . 0 0 "[ . 1 . 2]" 1
75 1 3 LYS QD 1 82 THR HB 5.990 . 5.990 5.136 4.974 5.303 . 0 0 "[ . 1 . 2]" 1
76 1 3 LYS QD 1 82 THR MG 5.620 . 5.620 3.519 3.392 3.564 . 0 0 "[ . 1 . 2]" 1
77 1 3 LYS QE 1 51 THR MG 5.690 . 5.690 3.015 2.667 3.355 . 0 0 "[ . 1 . 2]" 1
78 1 3 LYS QE 1 80 GLU QG 7.260 . 7.260 5.522 5.451 5.600 . 0 0 "[ . 1 . 2]" 1
79 1 3 LYS QE 1 82 THR HA 5.720 . 5.720 3.717 3.637 3.784 . 0 0 "[ . 1 . 2]" 1
80 1 3 LYS QE 1 82 THR HB 5.370 . 5.370 3.500 3.435 3.646 . 0 0 "[ . 1 . 2]" 1
81 1 3 LYS QE 1 82 THR MG 4.970 . 4.970 1.876 1.780 1.923 0.020 9 0 "[ . 1 . 2]" 1
82 1 3 LYS HG3 1 82 THR HA 3.880 . 3.880 3.760 3.672 3.823 . 0 0 "[ . 1 . 2]" 1
83 1 3 LYS HG3 1 82 THR HB 5.500 . 5.500 5.508 5.501 5.532 0.032 9 0 "[ . 1 . 2]" 1
84 1 3 LYS HG3 1 82 THR MG 4.580 . 4.580 2.932 2.858 3.020 . 0 0 "[ . 1 . 2]" 1
85 1 3 LYS QE 1 3 LYS HG2 3.920 . 3.920 2.079 2.009 2.176 . 0 0 "[ . 1 . 2]" 1
86 1 3 LYS HG2 1 82 THR HA 3.910 . 3.910 2.338 2.231 2.389 . 0 0 "[ . 1 . 2]" 1
87 1 3 LYS HG2 1 82 THR HB 4.600 . 4.600 3.846 3.795 3.891 . 0 0 "[ . 1 . 2]" 1
88 1 3 LYS HG2 1 82 THR MG 4.600 . 4.600 1.968 1.886 2.037 . 0 0 "[ . 1 . 2]" 1
89 1 3 LYS QG 1 83 ARG H 5.780 . 5.780 3.544 3.445 3.667 . 0 0 "[ . 1 . 2]" 1
90 1 3 LYS H 1 3 LYS QB 3.910 . 3.910 2.960 2.893 3.013 . 0 0 "[ . 1 . 2]" 1
91 1 3 LYS H 1 3 LYS QE 6.380 . 6.380 5.454 5.367 5.640 . 0 0 "[ . 1 . 2]" 1
92 1 3 LYS H 1 3 LYS QG 4.360 . 4.360 2.944 2.865 3.064 . 0 0 "[ . 1 . 2]" 1
93 1 3 LYS H 1 4 PHE H 4.280 . 4.280 4.154 4.119 4.202 . 0 0 "[ . 1 . 2]" 1
94 1 3 LYS H 1 82 THR HA 4.830 . 4.830 4.570 4.480 4.656 . 0 0 "[ . 1 . 2]" 1
95 1 3 LYS H 1 82 THR MG 6.280 . 6.280 4.807 4.755 4.893 . 0 0 "[ . 1 . 2]" 1
96 1 4 PHE HA 1 5 ASN H 2.800 . 2.800 2.516 2.485 2.571 . 0 0 "[ . 1 . 2]" 1
97 1 4 PHE HA 1 81 VAL QG 7.540 . 7.540 4.765 4.650 4.809 . 0 0 "[ . 1 . 2]" 1
98 1 4 PHE QB 1 5 ASN H 3.820 . 3.820 2.349 2.284 2.396 . 0 0 "[ . 1 . 2]" 1
99 1 4 PHE H 1 4 PHE HB3 4.060 . 4.060 3.153 3.138 3.165 . 0 0 "[ . 1 . 2]" 1
100 1 4 PHE H 1 4 PHE HB2 4.060 . 4.060 3.903 3.892 3.921 . 0 0 "[ . 1 . 2]" 1
101 1 4 PHE H 1 5 ASN H 4.920 . 4.920 4.415 4.404 4.424 . 0 0 "[ . 1 . 2]" 1
102 1 5 ASN HA 1 5 ASN HD21 4.610 . 4.610 2.101 1.959 2.237 . 0 0 "[ . 1 . 2]" 1
103 1 5 ASN HA 1 5 ASN HD22 4.650 . 4.650 3.266 3.209 3.323 . 0 0 "[ . 1 . 2]" 1
104 1 5 ASN HA 1 6 VAL HA 4.980 . 4.980 4.392 4.385 4.402 . 0 0 "[ . 1 . 2]" 1
105 1 5 ASN HA 1 6 VAL MG2 5.100 . 5.100 3.403 3.340 3.456 . 0 0 "[ . 1 . 2]" 1
106 1 5 ASN HA 1 6 VAL H 2.830 . 2.830 2.163 2.154 2.178 . 0 0 "[ . 1 . 2]" 1
107 1 5 ASN HA 1 80 GLU HA 3.300 . 3.300 2.015 1.945 2.078 . 0 0 "[ . 1 . 2]" 1
108 1 5 ASN HA 1 80 GLU HB3 5.270 . 5.270 4.663 4.564 4.764 . 0 0 "[ . 1 . 2]" 1
109 1 5 ASN HA 1 80 GLU HB2 5.060 . 5.060 4.230 4.081 4.352 . 0 0 "[ . 1 . 2]" 1
110 1 5 ASN HA 1 80 GLU QG 5.240 . 5.240 2.476 2.277 2.663 . 0 0 "[ . 1 . 2]" 1
111 1 5 ASN HA 1 81 VAL MG1 6.520 . 6.520 5.299 5.273 5.339 . 0 0 "[ . 1 . 2]" 1
112 1 5 ASN HA 1 81 VAL MG2 6.520 . 6.520 3.843 3.574 3.982 . 0 0 "[ . 1 . 2]" 1
113 1 5 ASN HA 1 81 VAL QG 6.790 . 6.790 3.756 3.523 3.872 . 0 0 "[ . 1 . 2]" 1
114 1 5 ASN HA 1 81 VAL H 3.820 . 3.820 3.273 3.112 3.363 . 0 0 "[ . 1 . 2]" 1
115 1 5 ASN HB3 1 6 VAL HA 4.630 . 4.630 4.328 4.270 4.358 . 0 0 "[ . 1 . 2]" 1
116 1 5 ASN HB3 1 6 VAL H 3.980 . 3.980 3.467 3.387 3.508 . 0 0 "[ . 1 . 2]" 1
117 1 5 ASN HB3 1 80 GLU HA 5.500 . 5.500 4.718 4.587 4.796 . 0 0 "[ . 1 . 2]" 1
118 1 5 ASN HB2 1 6 VAL H 4.610 . 4.610 4.373 4.338 4.381 . 0 0 "[ . 1 . 2]" 1
119 1 5 ASN HB2 1 80 GLU HA 5.140 . 5.140 4.375 4.170 4.535 . 0 0 "[ . 1 . 2]" 1
120 1 5 ASN HD21 1 43 LYS QD 6.380 . 6.380 5.564 5.472 5.678 . 0 0 "[ . 1 . 2]" 1
121 1 5 ASN HD21 1 6 VAL HA 4.580 . 4.580 4.494 4.354 4.589 0.009 15 0 "[ . 1 . 2]" 1
122 1 5 ASN HD21 1 6 VAL H 4.780 . 4.780 1.985 1.961 2.006 . 0 0 "[ . 1 . 2]" 1
123 1 5 ASN HD21 1 80 GLU QG 5.390 . 5.390 3.493 3.191 3.991 . 0 0 "[ . 1 . 2]" 1
124 1 5 ASN HD21 1 81 VAL H 5.500 . 5.500 4.684 4.500 4.942 . 0 0 "[ . 1 . 2]" 1
125 1 5 ASN HD22 1 6 VAL H 4.800 . 4.800 3.635 3.564 3.681 . 0 0 "[ . 1 . 2]" 1
126 1 5 ASN HD22 1 80 GLU HB2 5.270 . 5.270 3.236 3.027 3.512 . 0 0 "[ . 1 . 2]" 1
127 1 5 ASN HD22 1 80 GLU QG 5.380 . 5.380 3.401 3.045 3.954 . 0 0 "[ . 1 . 2]" 1
128 1 5 ASN H 1 43 LYS QD 5.490 . 5.490 4.783 4.567 4.898 . 0 0 "[ . 1 . 2]" 1
129 1 5 ASN H 1 5 ASN HB3 3.400 . 3.400 3.232 3.194 3.262 . 0 0 "[ . 1 . 2]" 1
130 1 5 ASN H 1 5 ASN HB2 3.200 . 3.200 2.369 2.353 2.382 . 0 0 "[ . 1 . 2]" 1
131 1 5 ASN H 1 5 ASN HD21 4.670 . 4.670 4.627 4.565 4.675 0.005 6 0 "[ . 1 . 2]" 1
132 1 5 ASN H 1 6 VAL MG2 6.020 . 6.020 4.277 4.172 4.330 . 0 0 "[ . 1 . 2]" 1
133 1 5 ASN H 1 6 VAL H 4.740 . 4.740 4.469 4.459 4.481 . 0 0 "[ . 1 . 2]" 1
134 1 6 VAL HA 1 43 LYS QD 4.650 . 4.650 1.901 1.833 2.023 . 0 0 "[ . 1 . 2]" 1
135 1 6 VAL HA 1 43 LYS QE 5.690 . 5.690 3.774 3.650 3.882 . 0 0 "[ . 1 . 2]" 1
136 1 6 VAL HA 1 43 LYS HG3 5.110 . 5.110 3.771 3.519 4.038 . 0 0 "[ . 1 . 2]" 1
137 1 6 VAL HA 1 43 LYS HG2 5.170 . 5.170 4.577 4.452 4.754 . 0 0 "[ . 1 . 2]" 1
138 1 6 VAL HA 1 44 LEU QD 7.030 . 7.030 4.449 4.029 4.615 . 0 0 "[ . 1 . 2]" 1
139 1 6 VAL HA 1 7 ASP HA 5.350 . 5.350 4.395 4.374 4.400 . 0 0 "[ . 1 . 2]" 1
140 1 6 VAL HA 1 7 ASP H 2.640 . 2.640 2.178 2.162 2.185 . 0 0 "[ . 1 . 2]" 1
141 1 6 VAL HA 1 81 VAL QG 7.540 . 7.540 4.574 4.465 4.667 . 0 0 "[ . 1 . 2]" 1
142 1 6 VAL HA 1 8 LEU QD 7.060 . 7.060 4.159 4.118 4.222 . 0 0 "[ . 1 . 2]" 1
143 1 6 VAL HB 1 39 GLU QB 6.380 . 6.380 5.519 5.005 5.702 . 0 0 "[ . 1 . 2]" 1
144 1 6 VAL HB 1 44 LEU QD 6.670 . 6.670 2.802 2.461 3.063 . 0 0 "[ . 1 . 2]" 1
145 1 6 VAL HB 1 78 SER HA 5.110 . 5.110 4.555 4.493 4.631 . 0 0 "[ . 1 . 2]" 1
146 1 6 VAL HB 1 79 MET HB3 5.500 . 5.500 4.744 4.663 5.068 . 0 0 "[ . 1 . 2]" 1
147 1 6 VAL HB 1 79 MET HB2 3.970 . 3.970 3.075 2.955 3.783 . 0 0 "[ . 1 . 2]" 1
148 1 6 VAL HB 1 79 MET HG3 5.330 . 5.330 4.405 3.019 4.673 . 0 0 "[ . 1 . 2]" 1
149 1 6 VAL HB 1 79 MET HG2 5.330 . 5.330 4.734 4.477 4.801 . 0 0 "[ . 1 . 2]" 1
150 1 6 VAL HB 1 79 MET H 3.970 . 3.970 3.011 2.938 3.111 . 0 0 "[ . 1 . 2]" 1
151 1 6 VAL HB 1 7 ASP HA 5.120 . 5.120 4.644 4.597 4.679 . 0 0 "[ . 1 . 2]" 1
152 1 6 VAL HB 1 7 ASP H 4.320 . 4.320 4.288 4.232 4.308 . 0 0 "[ . 1 . 2]" 1
153 1 6 VAL HB 1 81 VAL QG 5.720 . 5.720 3.426 3.325 3.532 . 0 0 "[ . 1 . 2]" 1
154 1 6 VAL MG1 1 39 GLU HA 5.740 . 5.740 4.585 4.258 4.723 . 0 0 "[ . 1 . 2]" 1
155 1 6 VAL MG1 1 39 GLU QB 5.510 . 5.510 2.886 2.353 3.071 . 0 0 "[ . 1 . 2]" 1
156 1 6 VAL MG1 1 39 GLU QG 6.440 . 6.440 4.423 3.459 4.614 . 0 0 "[ . 1 . 2]" 1
157 1 6 VAL MG1 1 40 ILE HA 4.910 . 4.910 2.636 2.536 3.036 . 0 0 "[ . 1 . 2]" 1
158 1 6 VAL MG1 1 40 ILE HB 6.210 . 6.210 4.934 4.807 5.204 . 0 0 "[ . 1 . 2]" 1
159 1 6 VAL MG1 1 43 LYS HB3 5.010 . 5.010 2.157 2.019 2.330 . 0 0 "[ . 1 . 2]" 1
160 1 6 VAL MG1 1 43 LYS HB2 5.190 . 5.190 2.029 1.900 2.174 . 0 0 "[ . 1 . 2]" 1
161 1 6 VAL MG1 1 43 LYS QD 5.270 . 5.270 2.263 1.944 2.433 . 0 0 "[ . 1 . 2]" 1
162 1 6 VAL MG1 1 43 LYS QE 6.520 . 6.520 3.966 3.705 4.078 . 0 0 "[ . 1 . 2]" 1
163 1 6 VAL MG1 1 43 LYS HG3 5.230 . 5.230 2.537 2.258 2.848 . 0 0 "[ . 1 . 2]" 1
164 1 6 VAL MG1 1 43 LYS HG2 5.270 . 5.270 3.652 3.414 3.847 . 0 0 "[ . 1 . 2]" 1
165 1 6 VAL MG1 1 43 LYS H 5.810 . 5.810 4.145 3.973 4.324 . 0 0 "[ . 1 . 2]" 1
166 1 6 VAL MG1 1 44 LEU QD 6.450 . 6.450 2.480 1.768 2.676 0.032 16 0 "[ . 1 . 2]" 1
167 1 6 VAL MG1 1 44 LEU HG 4.510 . 4.510 2.120 1.916 3.125 . 0 0 "[ . 1 . 2]" 1
168 1 6 VAL MG1 1 79 MET HG3 6.520 . 6.520 5.118 4.104 5.342 . 0 0 "[ . 1 . 2]" 1
169 1 6 VAL MG1 1 79 MET HG2 6.520 . 6.520 5.313 5.252 5.365 . 0 0 "[ . 1 . 2]" 1
170 1 6 VAL MG1 1 79 MET H 6.000 . 6.000 4.127 4.016 4.279 . 0 0 "[ . 1 . 2]" 1
171 1 6 VAL MG1 1 7 ASP HA 5.260 . 5.260 4.045 3.870 4.131 . 0 0 "[ . 1 . 2]" 1
172 1 6 VAL MG1 1 7 ASP H 4.290 . 4.290 3.077 2.955 3.173 . 0 0 "[ . 1 . 2]" 1
173 1 6 VAL MG1 1 81 VAL QG 7.150 . 7.150 3.697 3.644 3.735 . 0 0 "[ . 1 . 2]" 1
174 1 6 VAL MG1 1 8 LEU HA 6.520 . 6.520 5.210 5.098 5.331 . 0 0 "[ . 1 . 2]" 1
175 1 6 VAL MG1 1 8 LEU QD 5.930 . 5.930 2.204 2.069 2.318 . 0 0 "[ . 1 . 2]" 1
176 1 6 VAL MG2 1 39 GLU QB 7.160 . 7.160 5.028 4.449 5.199 . 0 0 "[ . 1 . 2]" 1
177 1 6 VAL MG2 1 40 ILE HA 5.620 . 5.620 4.220 4.067 4.443 . 0 0 "[ . 1 . 2]" 1
178 1 6 VAL MG2 1 43 LYS HA 5.000 . 5.000 3.890 3.827 3.954 . 0 0 "[ . 1 . 2]" 1
179 1 6 VAL MG2 1 43 LYS HB3 4.480 . 4.480 1.797 1.754 1.892 0.046 20 0 "[ . 1 . 2]" 1
180 1 6 VAL MG2 1 43 LYS HB2 4.620 . 4.620 2.954 2.792 3.020 . 0 0 "[ . 1 . 2]" 1
181 1 6 VAL MG2 1 43 LYS QD 4.850 . 4.850 2.189 2.079 2.251 . 0 0 "[ . 1 . 2]" 1
182 1 6 VAL MG2 1 43 LYS QE 5.470 . 5.470 3.430 3.296 3.860 . 0 0 "[ . 1 . 2]" 1
183 1 6 VAL MG2 1 43 LYS HG3 4.960 . 4.960 3.955 3.839 4.000 . 0 0 "[ . 1 . 2]" 1
184 1 6 VAL MG2 1 43 LYS HG2 5.190 . 5.190 4.188 4.151 4.218 . 0 0 "[ . 1 . 2]" 1
185 1 6 VAL MG2 1 44 LEU HA 5.120 . 5.120 3.485 3.329 3.728 . 0 0 "[ . 1 . 2]" 1
186 1 6 VAL MG2 1 44 LEU QD 5.680 . 5.680 1.682 1.650 1.771 0.150 3 0 "[ . 1 . 2]" 1
187 1 6 VAL MG2 1 44 LEU H 4.550 . 4.550 3.229 3.100 3.450 . 0 0 "[ . 1 . 2]" 1
188 1 6 VAL MG2 1 79 MET HA 6.520 . 6.520 5.335 5.308 5.375 . 0 0 "[ . 1 . 2]" 1
189 1 6 VAL MG2 1 79 MET HB3 6.520 . 6.520 4.981 4.876 5.250 . 0 0 "[ . 1 . 2]" 1
190 1 6 VAL MG2 1 79 MET HB2 5.930 . 5.930 3.496 3.398 3.787 . 0 0 "[ . 1 . 2]" 1
191 1 6 VAL MG2 1 79 MET QG 7.240 . 7.240 4.862 4.097 4.979 . 0 0 "[ . 1 . 2]" 1
192 1 6 VAL MG2 1 79 MET H 5.680 . 5.680 4.088 4.021 4.165 . 0 0 "[ . 1 . 2]" 1
193 1 6 VAL MG2 1 7 ASP H 5.420 . 5.420 4.295 4.276 4.326 . 0 0 "[ . 1 . 2]" 1
194 1 6 VAL MG2 1 80 GLU HA 5.410 . 5.410 3.991 3.800 4.124 . 0 0 "[ . 1 . 2]" 1
195 1 6 VAL MG2 1 80 GLU QG 7.400 . 7.400 5.025 4.798 5.202 . 0 0 "[ . 1 . 2]" 1
196 1 6 VAL MG2 1 81 VAL HA 5.970 . 5.970 4.838 4.730 4.868 . 0 0 "[ . 1 . 2]" 1
197 1 6 VAL MG2 1 81 VAL HB 5.470 . 5.470 4.212 4.104 4.259 . 0 0 "[ . 1 . 2]" 1
198 1 6 VAL MG2 1 81 VAL QG 6.350 . 6.350 1.738 1.587 1.815 0.213 11 0 "[ . 1 . 2]" 1
199 1 6 VAL MG2 1 8 LEU QD 7.650 . 7.650 4.277 4.263 4.285 . 0 0 "[ . 1 . 2]" 1
200 1 6 VAL H 1 6 VAL HB 3.360 . 3.360 2.739 2.696 2.833 . 0 0 "[ . 1 . 2]" 1
201 1 6 VAL H 1 6 VAL MG2 4.530 . 4.530 2.580 2.542 2.619 . 0 0 "[ . 1 . 2]" 1
202 1 6 VAL H 1 78 SER HA 4.680 . 4.680 3.997 3.885 4.417 . 0 0 "[ . 1 . 2]" 1
203 1 6 VAL H 1 79 MET QB 5.740 . 5.740 3.725 3.593 3.984 . 0 0 "[ . 1 . 2]" 1
204 1 6 VAL H 1 79 MET H 3.790 . 3.790 2.612 2.502 2.829 . 0 0 "[ . 1 . 2]" 1
205 1 6 VAL H 1 7 ASP H 4.570 . 4.570 4.130 4.096 4.148 . 0 0 "[ . 1 . 2]" 1
206 1 6 VAL H 1 80 GLU HA 3.730 . 3.730 3.277 3.101 3.388 . 0 0 "[ . 1 . 2]" 1
207 1 6 VAL H 1 80 GLU QG 6.010 . 6.010 4.357 4.112 4.568 . 0 0 "[ . 1 . 2]" 1
208 1 6 VAL H 1 81 VAL QG 6.700 . 6.700 3.612 3.403 3.753 . 0 0 "[ . 1 . 2]" 1
209 1 7 ASP HA 1 76 LYS QE 6.380 . 6.380 5.208 4.537 5.534 . 0 0 "[ . 1 . 2]" 1
210 1 7 ASP HA 1 77 VAL QG 6.780 . 6.780 3.800 3.596 4.381 . 0 0 "[ . 1 . 2]" 1
211 1 7 ASP HA 1 77 VAL H 4.970 . 4.970 3.957 3.732 4.844 . 0 0 "[ . 1 . 2]" 1
212 1 7 ASP HA 1 78 SER HA 3.170 . 3.170 2.007 1.963 2.074 . 0 0 "[ . 1 . 2]" 1
213 1 7 ASP HA 1 78 SER HB3 4.640 . 4.640 4.656 4.429 4.681 0.041 7 0 "[ . 1 . 2]" 1
214 1 7 ASP HA 1 78 SER HB2 4.020 . 4.020 3.484 3.312 3.566 . 0 0 "[ . 1 . 2]" 1
215 1 7 ASP HA 1 79 MET ME 6.520 . 6.520 5.283 5.106 5.375 . 0 0 "[ . 1 . 2]" 1
216 1 7 ASP HA 1 79 MET H 3.950 . 3.950 3.458 3.420 3.503 . 0 0 "[ . 1 . 2]" 1
217 1 7 ASP HA 1 8 LEU QD 6.490 . 6.490 2.697 2.677 2.744 . 0 0 "[ . 1 . 2]" 1
218 1 7 ASP HA 1 8 LEU HG 5.500 . 5.500 5.499 5.487 5.520 0.020 6 0 "[ . 1 . 2]" 1
219 1 7 ASP HA 1 8 LEU H 2.800 . 2.800 2.162 2.139 2.171 . 0 0 "[ . 1 . 2]" 1
220 1 7 ASP QB 1 76 LYS QE 6.700 . 6.700 3.822 2.996 4.586 . 0 0 "[ . 1 . 2]" 1
221 1 7 ASP QB 1 78 SER HA 4.990 . 4.990 2.780 2.629 3.295 . 0 0 "[ . 1 . 2]" 1
222 1 7 ASP QB 1 78 SER HB3 6.380 . 6.380 4.004 3.797 4.453 . 0 0 "[ . 1 . 2]" 1
223 1 7 ASP QB 1 78 SER HB2 5.930 . 5.930 2.557 2.303 2.960 . 0 0 "[ . 1 . 2]" 1
224 1 7 ASP QB 1 8 LEU QD 8.020 . 8.020 3.942 3.895 4.065 . 0 0 "[ . 1 . 2]" 1
225 1 7 ASP QB 1 8 LEU H 4.160 . 4.160 3.303 3.165 3.763 . 0 0 "[ . 1 . 2]" 1
226 1 7 ASP H 1 39 GLU QB 5.360 . 5.360 4.102 3.829 4.310 . 0 0 "[ . 1 . 2]" 1
227 1 7 ASP H 1 39 GLU QG 5.670 . 5.670 4.655 3.232 4.997 . 0 0 "[ . 1 . 2]" 1
228 1 7 ASP H 1 43 LYS QD 5.080 . 5.080 2.936 2.826 3.098 . 0 0 "[ . 1 . 2]" 1
229 1 7 ASP H 1 78 SER HA 4.650 . 4.650 4.032 3.899 4.416 . 0 0 "[ . 1 . 2]" 1
230 1 7 ASP H 1 79 MET H 5.400 . 5.400 4.544 4.478 4.668 . 0 0 "[ . 1 . 2]" 1
231 1 7 ASP H 1 8 LEU QD 6.960 . 6.960 3.618 3.555 3.693 . 0 0 "[ . 1 . 2]" 1
232 1 7 ASP H 1 8 LEU H 4.610 . 4.610 4.403 4.369 4.414 . 0 0 "[ . 1 . 2]" 1
233 1 8 LEU HA 1 39 GLU HG3 5.170 . 5.170 3.573 2.615 5.123 . 0 0 "[ . 1 . 2]" 1
234 1 8 LEU HA 1 39 GLU HG2 5.170 . 5.170 4.252 3.052 4.912 . 0 0 "[ . 1 . 2]" 1
235 1 8 LEU HA 1 39 GLU QG 5.350 . 5.350 3.101 2.578 3.851 . 0 0 "[ . 1 . 2]" 1
236 1 8 LEU HA 1 9 MET H 2.910 . 2.910 2.336 2.266 2.374 . 0 0 "[ . 1 . 2]" 1
237 1 8 LEU HB3 1 9 MET H 3.710 . 3.710 3.721 3.678 3.803 0.093 17 0 "[ . 1 . 2]" 1
238 1 8 LEU HB2 1 9 MET H 3.710 . 3.710 2.535 2.446 2.608 . 0 0 "[ . 1 . 2]" 1
239 1 8 LEU QB 1 39 GLU QG 6.550 . 6.550 2.766 2.168 3.506 . 0 0 "[ . 1 . 2]" 1
240 1 8 LEU QB 1 9 MET H 3.980 . 3.980 2.495 2.416 2.561 . 0 0 "[ . 1 . 2]" 1
241 1 8 LEU MD1 1 16 LEU HA 6.330 . 6.330 4.818 4.601 5.061 . 0 0 "[ . 1 . 2]" 1
242 1 8 LEU MD1 1 40 ILE MD 5.630 . 5.630 3.207 2.959 3.538 . 0 0 "[ . 1 . 2]" 1
243 1 8 LEU MD1 1 77 VAL HA 6.520 . 6.520 4.554 4.454 4.882 . 0 0 "[ . 1 . 2]" 1
244 1 8 LEU MD1 1 77 VAL HB 5.460 . 5.460 3.113 2.978 3.388 . 0 0 "[ . 1 . 2]" 1
245 1 8 LEU MD1 1 79 MET ME 5.570 . 5.570 2.281 1.927 2.475 . 0 0 "[ . 1 . 2]" 1
246 1 8 LEU MD1 1 9 MET H 5.840 . 5.840 4.534 4.446 4.589 . 0 0 "[ . 1 . 2]" 1
247 1 8 LEU MD2 1 16 LEU HA 6.330 . 6.330 3.309 3.014 3.520 . 0 0 "[ . 1 . 2]" 1
248 1 8 LEU MD2 1 40 ILE MD 5.630 . 5.630 2.511 2.165 2.833 . 0 0 "[ . 1 . 2]" 1
249 1 8 LEU MD2 1 77 VAL HA 6.520 . 6.520 5.025 4.956 5.197 . 0 0 "[ . 1 . 2]" 1
250 1 8 LEU MD2 1 77 VAL HB 5.460 . 5.460 3.554 2.575 3.974 . 0 0 "[ . 1 . 2]" 1
251 1 8 LEU MD2 1 79 MET ME 5.570 . 5.570 3.198 2.695 3.537 . 0 0 "[ . 1 . 2]" 1
252 1 8 LEU MD2 1 9 MET H 5.840 . 5.840 3.324 3.112 3.460 . 0 0 "[ . 1 . 2]" 1
253 1 8 LEU QD 1 10 LYS HA 5.520 . 5.520 3.116 3.057 3.208 . 0 0 "[ . 1 . 2]" 1
254 1 8 LEU QD 1 10 LYS HB3 6.500 . 6.500 4.432 4.341 4.550 . 0 0 "[ . 1 . 2]" 1
255 1 8 LEU QD 1 10 LYS HB2 6.030 . 6.030 3.403 3.177 3.540 . 0 0 "[ . 1 . 2]" 1
256 1 8 LEU QD 1 10 LYS QD 7.390 . 7.390 3.955 3.518 4.338 . 0 0 "[ . 1 . 2]" 1
257 1 8 LEU QD 1 10 LYS QE 7.590 . 7.590 3.896 3.342 4.468 . 0 0 "[ . 1 . 2]" 1
258 1 8 LEU QD 1 10 LYS HG2 6.050 . 6.050 2.538 2.294 2.820 . 0 0 "[ . 1 . 2]" 1
259 1 8 LEU QD 1 10 LYS H 6.070 . 6.070 3.589 3.412 3.828 . 0 0 "[ . 1 . 2]" 1
260 1 8 LEU QD 1 11 LYS H 7.030 . 7.030 4.699 4.650 4.755 . 0 0 "[ . 1 . 2]" 1
261 1 8 LEU QD 1 16 LEU HA 6.380 . 6.380 3.253 2.976 3.451 . 0 0 "[ . 1 . 2]" 1
262 1 8 LEU QD 1 16 LEU QD 6.860 . 6.860 1.882 1.662 2.459 0.138 19 0 "[ . 1 . 2]" 1
263 1 8 LEU QD 1 37 TYR QB 7.370 . 7.370 3.676 3.425 3.924 . 0 0 "[ . 1 . 2]" 1
264 1 8 LEU QD 1 39 GLU QB 6.650 . 6.650 3.176 2.946 3.334 . 0 0 "[ . 1 . 2]" 1
265 1 8 LEU QD 1 39 GLU QG 7.350 . 7.350 4.057 3.708 4.494 . 0 0 "[ . 1 . 2]" 1
266 1 8 LEU QD 1 39 GLU H 7.540 . 7.540 5.049 4.792 5.260 . 0 0 "[ . 1 . 2]" 1
267 1 8 LEU QD 1 40 ILE HA 6.380 . 6.380 4.229 4.086 4.579 . 0 0 "[ . 1 . 2]" 1
268 1 8 LEU QD 1 40 ILE HB 7.380 . 7.380 4.878 4.693 5.162 . 0 0 "[ . 1 . 2]" 1
269 1 8 LEU QD 1 40 ILE MD 6.100 . 6.100 2.425 2.114 2.710 . 0 0 "[ . 1 . 2]" 1
270 1 8 LEU QD 1 40 ILE HG13 5.760 . 5.760 3.348 3.134 3.599 . 0 0 "[ . 1 . 2]" 1
271 1 8 LEU QD 1 40 ILE HG12 5.920 . 5.920 2.791 2.655 3.116 . 0 0 "[ . 1 . 2]" 1
272 1 8 LEU QD 1 40 ILE MG 7.660 . 7.660 3.956 3.806 4.301 . 0 0 "[ . 1 . 2]" 1
273 1 8 LEU QD 1 40 ILE H 6.620 . 6.620 4.111 3.936 4.374 . 0 0 "[ . 1 . 2]" 1
274 1 8 LEU QD 1 44 LEU QD 8.130 . 8.130 3.580 3.332 3.948 . 0 0 "[ . 1 . 2]" 1
275 1 8 LEU QD 1 76 LYS HA 7.040 . 7.040 4.164 4.078 4.525 . 0 0 "[ . 1 . 2]" 1
276 1 8 LEU QD 1 77 VAL QG 7.240 . 7.240 1.574 1.501 2.400 0.299 8 0 "[ . 1 . 2]" 1
277 1 8 LEU QD 1 77 VAL H 6.470 . 6.470 2.984 2.931 3.170 . 0 0 "[ . 1 . 2]" 1
278 1 8 LEU QD 1 79 MET ME 5.780 . 5.780 2.233 1.887 2.425 . 0 0 "[ . 1 . 2]" 1
279 1 8 LEU QD 1 9 MET HA 6.320 . 6.320 3.719 3.564 3.794 . 0 0 "[ . 1 . 2]" 1
280 1 8 LEU QD 1 9 MET HB2 6.760 . 6.760 4.390 4.066 4.524 . 0 0 "[ . 1 . 2]" 1
281 1 8 LEU QD 1 9 MET H 5.740 . 5.740 3.244 3.055 3.360 . 0 0 "[ . 1 . 2]" 1
282 1 8 LEU HG 1 16 LEU QD 6.300 . 6.300 3.303 2.857 3.881 . 0 0 "[ . 1 . 2]" 1
283 1 8 LEU HG 1 40 ILE MD 5.370 . 5.370 2.461 2.185 2.898 . 0 0 "[ . 1 . 2]" 1
284 1 8 LEU H 1 76 LYS HA 4.410 . 4.410 3.973 3.824 4.438 0.028 17 0 "[ . 1 . 2]" 1
285 1 8 LEU H 1 77 VAL HB 3.950 . 3.950 4.061 4.025 4.089 0.139 10 0 "[ . 1 . 2]" 1
286 1 8 LEU H 1 77 VAL MG1 6.370 . 6.370 4.741 3.902 4.891 . 0 0 "[ . 1 . 2]" 1
287 1 8 LEU H 1 77 VAL MG2 6.370 . 6.370 2.482 2.255 5.185 . 0 0 "[ . 1 . 2]" 1
288 1 8 LEU H 1 77 VAL QG 6.430 . 6.430 2.407 2.251 3.795 . 0 0 "[ . 1 . 2]" 1
289 1 8 LEU H 1 78 SER HA 3.910 . 3.910 3.781 3.274 3.861 . 0 0 "[ . 1 . 2]" 1
290 1 8 LEU H 1 79 MET H 5.500 . 5.500 5.037 4.956 5.151 . 0 0 "[ . 1 . 2]" 1
291 1 8 LEU H 1 8 LEU MD1 5.170 . 5.170 1.880 1.852 1.966 . 0 0 "[ . 1 . 2]" 1
292 1 8 LEU H 1 8 LEU MD2 5.170 . 5.170 3.091 2.983 3.255 . 0 0 "[ . 1 . 2]" 1
293 1 8 LEU H 1 9 MET HA 5.110 . 5.110 4.784 4.621 4.837 . 0 0 "[ . 1 . 2]" 1
294 1 8 LEU H 1 9 MET H 4.450 . 4.450 4.370 4.271 4.390 . 0 0 "[ . 1 . 2]" 1
295 1 9 MET HA 1 10 LYS H 2.900 . 2.900 2.117 2.101 2.129 . 0 0 "[ . 1 . 2]" 1
296 1 9 MET HA 1 76 LYS HA 3.330 . 3.330 2.414 2.312 2.489 . 0 0 "[ . 1 . 2]" 1
297 1 9 MET HA 1 76 LYS HB3 5.220 . 5.220 5.149 5.047 5.232 0.012 13 0 "[ . 1 . 2]" 1
298 1 9 MET HA 1 76 LYS HB2 4.920 . 4.920 4.289 4.217 4.438 . 0 0 "[ . 1 . 2]" 1
299 1 9 MET HA 1 76 LYS QD 5.540 . 5.540 4.085 3.584 4.781 . 0 0 "[ . 1 . 2]" 1
300 1 9 MET HA 1 76 LYS QG 5.570 . 5.570 4.202 3.983 4.644 . 0 0 "[ . 1 . 2]" 1
301 1 9 MET HA 1 76 LYS H 4.030 . 4.030 2.267 2.049 2.647 . 0 0 "[ . 1 . 2]" 1
302 1 9 MET HA 1 77 VAL MG1 6.380 . 6.380 5.220 5.181 5.420 . 0 0 "[ . 1 . 2]" 1
303 1 9 MET HA 1 77 VAL MG2 6.380 . 6.380 3.657 3.538 4.399 . 0 0 "[ . 1 . 2]" 1
304 1 9 MET HA 1 77 VAL QG 6.530 . 6.530 3.588 3.483 4.218 . 0 0 "[ . 1 . 2]" 1
305 1 9 MET HA 1 77 VAL H 3.780 . 3.780 3.529 2.650 3.673 . 0 0 "[ . 1 . 2]" 1
306 1 9 MET HA 1 9 MET ME 4.210 . 4.210 2.710 2.483 3.279 . 0 0 "[ . 1 . 2]" 1
307 1 9 MET HA 1 9 MET HG3 4.090 . 4.090 3.455 3.409 3.480 . 0 0 "[ . 1 . 2]" 1
308 1 9 MET HA 1 9 MET HG2 4.050 . 4.050 2.130 2.100 2.167 . 0 0 "[ . 1 . 2]" 1
309 1 9 MET HB3 1 76 LYS HA 5.500 . 5.500 5.073 4.775 5.155 . 0 0 "[ . 1 . 2]" 1
310 1 9 MET HB3 1 76 LYS QE 5.990 . 5.990 4.674 4.286 5.238 . 0 0 "[ . 1 . 2]" 1
311 1 9 MET HB3 1 9 MET ME 4.400 . 4.400 3.302 3.127 3.693 . 0 0 "[ . 1 . 2]" 1
312 1 9 MET HB2 1 9 MET HG3 2.980 . 2.980 2.214 2.208 2.218 . 0 0 "[ . 1 . 2]" 1
313 1 9 MET ME 1 10 LYS H 5.400 . 5.400 3.262 2.812 3.970 . 0 0 "[ . 1 . 2]" 1
314 1 9 MET ME 1 75 GLY HA3 4.720 . 4.720 3.425 3.026 3.943 . 0 0 "[ . 1 . 2]" 1
315 1 9 MET ME 1 75 GLY HA2 4.490 . 4.490 2.040 1.921 2.553 . 0 0 "[ . 1 . 2]" 1
316 1 9 MET ME 1 75 GLY H 5.570 . 5.570 3.622 3.471 4.049 . 0 0 "[ . 1 . 2]" 1
317 1 9 MET ME 1 76 LYS HA 4.320 . 4.320 3.243 2.907 3.394 . 0 0 "[ . 1 . 2]" 1
318 1 9 MET ME 1 76 LYS HB3 5.150 . 5.150 4.188 3.412 4.256 . 0 0 "[ . 1 . 2]" 1
319 1 9 MET ME 1 76 LYS HB2 4.460 . 4.460 2.803 2.145 2.895 . 0 0 "[ . 1 . 2]" 1
320 1 9 MET ME 1 76 LYS QD 4.780 . 4.780 2.584 2.110 3.007 . 0 0 "[ . 1 . 2]" 1
321 1 9 MET ME 1 76 LYS QE 5.280 . 5.280 3.135 2.771 3.685 . 0 0 "[ . 1 . 2]" 1
322 1 9 MET ME 1 76 LYS H 4.620 . 4.620 2.039 1.934 2.266 . 0 0 "[ . 1 . 2]" 1
323 1 9 MET ME 1 77 VAL H 6.170 . 6.170 4.932 4.593 5.018 . 0 0 "[ . 1 . 2]" 1
324 1 9 MET HG3 1 10 LYS H 5.500 . 5.500 5.316 5.148 5.423 . 0 0 "[ . 1 . 2]" 1
325 1 9 MET HG3 1 76 LYS HA 5.090 . 5.090 5.053 4.223 5.116 0.026 5 0 "[ . 1 . 2]" 1
326 1 9 MET HG3 1 76 LYS QD 5.450 . 5.450 4.342 3.933 4.718 . 0 0 "[ . 1 . 2]" 1
327 1 9 MET HG3 1 76 LYS QG 6.380 . 6.380 5.633 5.542 5.715 . 0 0 "[ . 1 . 2]" 1
328 1 9 MET HG2 1 10 LYS H 4.810 . 4.810 4.044 3.844 4.145 . 0 0 "[ . 1 . 2]" 1
329 1 9 MET HG2 1 76 LYS HA 3.890 . 3.890 3.364 2.569 3.427 . 0 0 "[ . 1 . 2]" 1
330 1 9 MET HG2 1 76 LYS QD 6.030 . 6.030 3.127 2.644 3.557 . 0 0 "[ . 1 . 2]" 1
331 1 9 MET HG2 1 76 LYS QG 6.220 . 6.220 4.277 4.149 4.447 . 0 0 "[ . 1 . 2]" 1
332 1 9 MET ME 1 9 MET HG2 3.780 . 3.780 2.115 1.998 2.239 . 0 0 "[ . 1 . 2]" 1
333 1 9 MET H 1 10 LYS H 4.530 . 4.530 4.441 4.376 4.533 0.003 6 0 "[ . 1 . 2]" 1
334 1 9 MET H 1 76 LYS HA 4.720 . 4.720 4.338 4.213 4.477 . 0 0 "[ . 1 . 2]" 1
335 1 9 MET H 1 9 MET HB3 3.650 . 3.650 3.448 3.422 3.492 . 0 0 "[ . 1 . 2]" 1
336 1 9 MET H 1 9 MET HB2 3.280 . 3.280 2.138 2.121 2.184 . 0 0 "[ . 1 . 2]" 1
337 1 9 MET H 1 9 MET HG3 4.140 . 4.140 3.525 3.370 3.599 . 0 0 "[ . 1 . 2]" 1
338 1 9 MET H 1 9 MET HG2 3.980 . 3.980 3.353 3.206 3.532 . 0 0 "[ . 1 . 2]" 1
339 1 10 LYS HA 1 10 LYS HD3 4.900 . 4.900 2.948 2.669 3.369 . 0 0 "[ . 1 . 2]" 1
340 1 10 LYS HA 1 10 LYS HD2 4.900 . 4.900 3.572 3.046 4.286 . 0 0 "[ . 1 . 2]" 1
341 1 10 LYS HA 1 10 LYS QD 5.020 . 5.020 2.803 2.522 3.226 . 0 0 "[ . 1 . 2]" 1
342 1 10 LYS HA 1 10 LYS HE3 5.200 . 5.200 4.617 3.637 4.888 . 0 0 "[ . 1 . 2]" 1
343 1 10 LYS HA 1 10 LYS HE2 5.200 . 5.200 4.207 1.959 5.123 . 0 0 "[ . 1 . 2]" 1
344 1 10 LYS HA 1 10 LYS QE 5.400 . 5.400 3.810 1.952 4.397 . 0 0 "[ . 1 . 2]" 1
345 1 10 LYS HA 1 10 LYS HG3 3.640 . 3.640 3.501 3.459 3.532 . 0 0 "[ . 1 . 2]" 1
346 1 10 LYS HA 1 10 LYS HG2 3.780 . 3.780 2.188 2.113 2.253 . 0 0 "[ . 1 . 2]" 1
347 1 10 LYS HA 1 11 LYS HA 4.770 . 4.770 4.402 4.377 4.433 . 0 0 "[ . 1 . 2]" 1
348 1 10 LYS HA 1 11 LYS HG3 5.240 . 5.240 5.063 4.917 5.191 . 0 0 "[ . 1 . 2]" 1
349 1 10 LYS HA 1 11 LYS HG2 5.240 . 5.240 3.339 3.207 3.461 . 0 0 "[ . 1 . 2]" 1
350 1 10 LYS HA 1 11 LYS QG 5.260 . 5.260 3.295 3.167 3.409 . 0 0 "[ . 1 . 2]" 1
351 1 10 LYS HA 1 11 LYS H 3.090 . 3.090 2.180 2.122 2.249 . 0 0 "[ . 1 . 2]" 1
352 1 10 LYS HA 1 16 LEU QD 6.120 . 6.120 3.634 2.597 4.386 . 0 0 "[ . 1 . 2]" 1
353 1 10 LYS HA 1 74 ASN HA 5.140 . 5.140 4.265 4.182 4.362 . 0 0 "[ . 1 . 2]" 1
354 1 10 LYS HA 1 75 GLY H 4.270 . 4.270 4.088 3.939 4.291 0.021 6 0 "[ . 1 . 2]" 1
355 1 10 LYS HA 1 77 VAL MG1 6.030 . 6.030 4.301 4.213 4.976 . 0 0 "[ . 1 . 2]" 1
356 1 10 LYS HA 1 77 VAL MG2 6.030 . 6.030 3.225 3.104 4.177 . 0 0 "[ . 1 . 2]" 1
357 1 10 LYS HA 1 77 VAL QG 6.310 . 6.310 3.137 3.034 3.974 . 0 0 "[ . 1 . 2]" 1
358 1 10 LYS HB3 1 10 LYS HE3 5.150 . 5.150 4.131 3.719 4.633 . 0 0 "[ . 1 . 2]" 1
359 1 10 LYS HB3 1 10 LYS HE2 5.150 . 5.150 4.332 3.488 4.598 . 0 0 "[ . 1 . 2]" 1
360 1 10 LYS HB3 1 11 LYS H 3.590 . 3.590 3.336 3.049 3.616 0.026 5 0 "[ . 1 . 2]" 1
361 1 10 LYS HB3 1 16 LEU QD 7.540 . 7.540 4.200 3.872 4.849 . 0 0 "[ . 1 . 2]" 1
362 1 10 LYS HB3 1 73 ALA HA 5.370 . 5.370 4.296 4.142 4.353 . 0 0 "[ . 1 . 2]" 1
363 1 10 LYS HB3 1 74 ASN HA 4.150 . 4.150 2.093 1.963 2.195 . 0 0 "[ . 1 . 2]" 1
364 1 10 LYS HB3 1 75 GLY H 3.400 . 3.400 2.545 2.383 2.641 . 0 0 "[ . 1 . 2]" 1
365 1 10 LYS HB3 1 77 VAL QG 5.680 . 5.680 2.554 2.353 2.676 . 0 0 "[ . 1 . 2]" 1
366 1 10 LYS HB2 1 10 LYS HE3 5.420 . 5.420 4.709 4.160 5.427 0.007 2 0 "[ . 1 . 2]" 1
367 1 10 LYS HB2 1 10 LYS HE2 5.420 . 5.420 4.895 4.015 5.294 . 0 0 "[ . 1 . 2]" 1
368 1 10 LYS HB2 1 74 ASN HA 3.910 . 3.910 3.563 3.380 3.664 . 0 0 "[ . 1 . 2]" 1
369 1 10 LYS HB2 1 74 ASN H 5.240 . 5.240 4.207 3.923 4.391 . 0 0 "[ . 1 . 2]" 1
370 1 10 LYS HB2 1 75 GLY H 3.430 . 3.430 2.868 2.506 3.121 . 0 0 "[ . 1 . 2]" 1
371 1 10 LYS HB2 1 76 LYS HA 5.500 . 5.500 4.311 4.077 5.129 . 0 0 "[ . 1 . 2]" 1
372 1 10 LYS HB2 1 77 VAL QG 5.760 . 5.760 1.595 1.541 1.852 0.259 3 0 "[ . 1 . 2]" 1
373 1 10 LYS QD 1 12 ALA HA 5.440 . 5.440 3.575 3.238 3.929 . 0 0 "[ . 1 . 2]" 1
374 1 10 LYS QD 1 12 ALA H 5.310 . 5.310 2.896 2.559 3.139 . 0 0 "[ . 1 . 2]" 1
375 1 10 LYS QD 1 16 LEU QD 6.510 . 6.510 2.295 1.814 3.342 . 0 0 "[ . 1 . 2]" 1
376 1 10 LYS QD 1 74 ASN HA 4.370 . 4.370 3.131 2.822 3.296 . 0 0 "[ . 1 . 2]" 1
377 1 10 LYS QD 1 75 GLY H 5.000 . 5.000 4.295 4.151 4.439 . 0 0 "[ . 1 . 2]" 1
378 1 10 LYS QD 1 77 VAL QG 8.260 . 8.260 3.039 2.785 3.488 . 0 0 "[ . 1 . 2]" 1
379 1 10 LYS HE3 1 12 ALA HA 5.500 . 5.500 5.159 4.106 5.514 0.014 12 0 "[ . 1 . 2]" 1
380 1 10 LYS HE3 1 16 LEU MD1 5.190 . 5.190 2.392 1.918 3.351 . 0 0 "[ . 1 . 2]" 1
381 1 10 LYS HE3 1 16 LEU MD2 5.190 . 5.190 3.230 1.888 4.387 . 0 0 "[ . 1 . 2]" 1
382 1 10 LYS HE3 1 16 LEU HG 4.710 . 4.710 3.446 1.825 4.732 0.022 4 0 "[ . 1 . 2]" 1
383 1 10 LYS HE3 1 77 VAL MG1 7.310 . 7.310 3.836 2.807 4.957 . 0 0 "[ . 1 . 2]" 1
384 1 10 LYS HE3 1 77 VAL MG2 7.310 . 7.310 4.056 3.449 4.917 . 0 0 "[ . 1 . 2]" 1
385 1 10 LYS HE2 1 12 ALA HA 5.500 . 5.500 5.382 4.526 5.563 0.063 5 0 "[ . 1 . 2]" 1
386 1 10 LYS HE2 1 16 LEU MD1 5.190 . 5.190 2.512 1.819 4.285 . 0 0 "[ . 1 . 2]" 1
387 1 10 LYS HE2 1 16 LEU MD2 5.190 . 5.190 3.056 1.832 4.322 . 0 0 "[ . 1 . 2]" 1
388 1 10 LYS HE2 1 16 LEU HG 4.710 . 4.710 2.977 1.790 4.286 0.010 13 0 "[ . 1 . 2]" 1
389 1 10 LYS HE2 1 77 VAL MG1 7.310 . 7.310 4.403 3.572 5.186 . 0 0 "[ . 1 . 2]" 1
390 1 10 LYS HE2 1 77 VAL MG2 7.310 . 7.310 4.209 3.660 5.004 . 0 0 "[ . 1 . 2]" 1
391 1 10 LYS QE 1 14 LYS H 5.360 . 5.360 3.259 2.503 3.684 . 0 0 "[ . 1 . 2]" 1
392 1 10 LYS QE 1 16 LEU QD 6.200 . 6.200 1.822 1.646 2.652 0.154 17 0 "[ . 1 . 2]" 1
393 1 10 LYS QE 1 16 LEU HG 4.870 . 4.870 2.650 1.782 3.980 0.018 13 0 "[ . 1 . 2]" 1
394 1 10 LYS QE 1 73 ALA MB 5.700 . 5.700 2.377 1.785 3.557 0.015 8 0 "[ . 1 . 2]" 1
395 1 10 LYS QE 1 77 VAL QG 7.020 . 7.020 3.067 2.646 3.564 . 0 0 "[ . 1 . 2]" 1
396 1 10 LYS HE3 1 10 LYS HG3 3.780 . 3.780 2.805 1.997 3.848 0.068 1 0 "[ . 1 . 2]" 1
397 1 10 LYS HE2 1 10 LYS HG3 3.780 . 3.780 3.196 2.795 3.494 . 0 0 "[ . 1 . 2]" 1
398 1 10 LYS HG3 1 16 LEU QD 6.230 . 6.230 2.545 2.041 3.176 . 0 0 "[ . 1 . 2]" 1
399 1 10 LYS HG3 1 73 ALA H 5.500 . 5.500 5.039 4.888 5.209 . 0 0 "[ . 1 . 2]" 1
400 1 10 LYS HG3 1 74 ASN HA 4.640 . 4.640 4.602 4.425 4.657 0.017 6 0 "[ . 1 . 2]" 1
401 1 10 LYS HG3 1 77 VAL HB 3.340 . 3.340 3.408 3.247 3.443 0.103 18 0 "[ . 1 . 2]" 1
402 1 10 LYS HG3 1 77 VAL MG1 4.900 . 4.900 1.931 1.819 2.832 . 0 0 "[ . 1 . 2]" 1
403 1 10 LYS HG3 1 77 VAL MG2 4.900 . 4.900 1.969 1.858 2.355 . 0 0 "[ . 1 . 2]" 1
404 1 10 LYS HG3 1 77 VAL QG 5.320 . 5.320 1.730 1.642 2.245 0.158 9 0 "[ . 1 . 2]" 1
405 1 10 LYS HE3 1 10 LYS HG2 4.110 . 4.110 3.182 2.856 3.765 . 0 0 "[ . 1 . 2]" 1
406 1 10 LYS HE2 1 10 LYS HG2 4.110 . 4.110 2.971 2.012 3.837 . 0 0 "[ . 1 . 2]" 1
407 1 10 LYS HG2 1 16 LEU QD 6.040 . 6.040 2.268 1.770 2.962 0.030 19 0 "[ . 1 . 2]" 1
408 1 10 LYS HG2 1 77 VAL QG 5.960 . 5.960 2.065 1.836 3.239 . 0 0 "[ . 1 . 2]" 1
409 1 10 LYS H 1 10 LYS HB3 3.690 . 3.690 3.213 3.071 3.305 . 0 0 "[ . 1 . 2]" 1
410 1 10 LYS H 1 10 LYS HB2 3.530 . 3.530 2.282 2.220 2.410 . 0 0 "[ . 1 . 2]" 1
411 1 10 LYS H 1 10 LYS QD 6.220 . 6.220 4.599 4.517 4.792 . 0 0 "[ . 1 . 2]" 1
412 1 10 LYS H 1 10 LYS HG3 4.610 . 4.610 4.432 4.329 4.613 0.003 17 0 "[ . 1 . 2]" 1
413 1 10 LYS H 1 75 GLY HA3 5.500 . 5.500 4.749 4.531 4.993 . 0 0 "[ . 1 . 2]" 1
414 1 10 LYS H 1 75 GLY HA2 4.310 . 4.310 3.573 3.307 3.856 . 0 0 "[ . 1 . 2]" 1
415 1 10 LYS H 1 75 GLY H 3.960 . 3.960 2.565 2.288 2.695 . 0 0 "[ . 1 . 2]" 1
416 1 10 LYS H 1 76 LYS HA 3.620 . 3.620 3.169 3.036 3.629 0.009 17 0 "[ . 1 . 2]" 1
417 1 10 LYS H 1 76 LYS HB3 5.500 . 5.500 5.430 5.320 5.555 0.055 17 0 "[ . 1 . 2]" 1
418 1 10 LYS H 1 76 LYS H 4.350 . 4.350 2.035 1.959 2.508 . 0 0 "[ . 1 . 2]" 1
419 1 10 LYS H 1 77 VAL QG 5.930 . 5.930 2.672 2.457 3.149 . 0 0 "[ . 1 . 2]" 1
420 1 10 LYS H 1 77 VAL H 4.300 . 4.300 3.554 3.032 3.802 . 0 0 "[ . 1 . 2]" 1
421 1 11 LYS HA 1 11 LYS QD 4.270 . 4.270 2.286 2.024 2.577 . 0 0 "[ . 1 . 2]" 1
422 1 11 LYS HA 1 11 LYS QE 5.270 . 5.270 4.044 3.603 4.506 . 0 0 "[ . 1 . 2]" 1
423 1 11 LYS HA 1 11 LYS HG3 4.220 . 4.220 3.898 3.847 3.963 . 0 0 "[ . 1 . 2]" 1
424 1 11 LYS HA 1 11 LYS HG2 4.220 . 4.220 3.186 3.055 3.288 . 0 0 "[ . 1 . 2]" 1
425 1 11 LYS HA 1 12 ALA HA 4.650 . 4.650 4.562 4.545 4.620 . 0 0 "[ . 1 . 2]" 1
426 1 11 LYS HA 1 12 ALA MB 4.930 . 4.930 3.762 3.699 3.816 . 0 0 "[ . 1 . 2]" 1
427 1 11 LYS HA 1 12 ALA H 2.690 . 2.690 2.426 2.408 2.440 . 0 0 "[ . 1 . 2]" 1
428 1 11 LYS HB3 1 14 LYS QD 5.810 . 5.810 3.549 3.313 5.202 . 0 0 "[ . 1 . 2]" 1
429 1 11 LYS HB3 1 14 LYS QE 5.090 . 5.090 2.999 2.553 3.943 . 0 0 "[ . 1 . 2]" 1
430 1 11 LYS HB2 1 14 LYS QD 5.810 . 5.810 2.199 1.896 3.884 . 0 0 "[ . 1 . 2]" 1
431 1 11 LYS HB2 1 14 LYS QE 5.090 . 5.090 2.133 1.924 3.128 . 0 0 "[ . 1 . 2]" 1
432 1 11 LYS QB 1 12 ALA H 4.810 . 4.810 3.872 3.860 3.880 . 0 0 "[ . 1 . 2]" 1
433 1 11 LYS QB 1 14 LYS QB 5.680 . 5.680 3.287 1.819 3.703 . 0 0 "[ . 1 . 2]" 1
434 1 11 LYS QB 1 14 LYS QD 5.950 . 5.950 2.175 1.886 3.782 . 0 0 "[ . 1 . 2]" 1
435 1 11 LYS QB 1 14 LYS QE 5.300 . 5.300 2.083 1.877 3.014 . 0 0 "[ . 1 . 2]" 1
436 1 11 LYS QD 1 12 ALA H 5.410 . 5.410 4.461 4.262 4.657 . 0 0 "[ . 1 . 2]" 1
437 1 11 LYS QD 1 14 LYS QE 6.060 . 6.060 4.085 3.496 4.838 . 0 0 "[ . 1 . 2]" 1
438 1 11 LYS QE 1 14 LYS QD 7.260 . 7.260 3.891 3.550 5.281 . 0 0 "[ . 1 . 2]" 1
439 1 11 LYS HG3 1 14 LYS QE 5.840 . 5.840 2.681 1.963 3.608 . 0 0 "[ . 1 . 2]" 1
440 1 11 LYS HG2 1 14 LYS QE 5.840 . 5.840 3.703 3.236 4.474 . 0 0 "[ . 1 . 2]" 1
441 1 11 LYS QG 1 14 LYS QB 6.500 . 6.500 4.235 2.677 4.664 . 0 0 "[ . 1 . 2]" 1
442 1 11 LYS QG 1 14 LYS QE 5.930 . 5.930 2.607 1.947 3.465 . 0 0 "[ . 1 . 2]" 1
443 1 11 LYS QG 1 14 LYS QG 5.490 . 5.490 3.252 1.900 4.333 . 0 0 "[ . 1 . 2]" 1
444 1 11 LYS H 1 11 LYS QG 4.710 . 4.710 2.591 2.328 2.797 . 0 0 "[ . 1 . 2]" 1
445 1 11 LYS H 1 12 ALA H 4.120 . 4.120 3.303 3.168 3.487 . 0 0 "[ . 1 . 2]" 1
446 1 11 LYS H 1 14 LYS H 4.980 . 4.980 4.242 3.030 4.768 . 0 0 "[ . 1 . 2]" 1
447 1 12 ALA HA 1 13 GLY QA 5.710 . 5.710 4.017 3.900 4.086 . 0 0 "[ . 1 . 2]" 1
448 1 12 ALA HA 1 13 GLY H 3.140 . 3.140 2.776 2.260 3.055 . 0 0 "[ . 1 . 2]" 1
449 1 12 ALA HA 1 74 ASN HA 5.340 . 5.340 4.024 3.795 4.313 . 0 0 "[ . 1 . 2]" 1
450 1 12 ALA HA 1 74 ASN HB3 4.400 . 4.400 2.575 2.123 2.770 . 0 0 "[ . 1 . 2]" 1
451 1 12 ALA HA 1 74 ASN HB2 4.400 . 4.400 4.189 3.519 4.419 0.019 2 0 "[ . 1 . 2]" 1
452 1 12 ALA HA 1 74 ASN HD21 4.710 . 4.710 3.542 3.458 3.694 . 0 0 "[ . 1 . 2]" 1
453 1 12 ALA HA 1 74 ASN HD22 5.040 . 5.040 5.066 5.057 5.088 0.048 2 0 "[ . 1 . 2]" 1
454 1 12 ALA MB 1 13 GLY QA 6.170 . 6.170 4.079 4.018 4.141 . 0 0 "[ . 1 . 2]" 1
455 1 12 ALA MB 1 13 GLY H 4.870 . 4.870 3.607 3.559 3.676 . 0 0 "[ . 1 . 2]" 1
456 1 12 ALA MB 1 74 ASN HA 6.240 . 6.240 4.451 4.183 4.715 . 0 0 "[ . 1 . 2]" 1
457 1 12 ALA MB 1 74 ASN HB3 5.250 . 5.250 2.819 2.453 3.073 . 0 0 "[ . 1 . 2]" 1
458 1 12 ALA MB 1 74 ASN HB2 5.250 . 5.250 3.610 3.206 3.971 . 0 0 "[ . 1 . 2]" 1
459 1 12 ALA MB 1 74 ASN QB 5.600 . 5.600 2.722 2.379 2.975 . 0 0 "[ . 1 . 2]" 1
460 1 12 ALA MB 1 74 ASN HD21 5.840 . 5.840 4.053 3.477 4.337 . 0 0 "[ . 1 . 2]" 1
461 1 12 ALA MB 1 74 ASN HD22 6.520 . 6.520 4.918 4.332 5.194 . 0 0 "[ . 1 . 2]" 1
462 1 13 GLY HA3 1 14 LYS H 3.550 . 3.550 3.380 3.290 3.553 0.003 6 0 "[ . 1 . 2]" 1
463 1 13 GLY HA2 1 14 LYS H 3.550 . 3.550 2.202 2.135 2.591 . 0 0 "[ . 1 . 2]" 1
464 1 13 GLY H 1 14 LYS H 3.610 . 3.610 3.547 2.740 3.714 0.104 9 0 "[ . 1 . 2]" 1
465 1 14 LYS HA 1 14 LYS QE 5.980 . 5.980 4.204 2.207 4.672 . 0 0 "[ . 1 . 2]" 1
466 1 14 LYS HA 1 14 LYS HG3 3.690 . 3.690 3.525 2.541 3.658 . 0 0 "[ . 1 . 2]" 1
467 1 14 LYS HA 1 14 LYS HG2 3.690 . 3.690 3.679 3.171 3.804 0.114 11 0 "[ . 1 . 2]" 1
468 1 14 LYS HB3 1 14 LYS QE 5.060 . 5.060 2.509 2.020 3.837 . 0 0 "[ . 1 . 2]" 1
469 1 14 LYS HB2 1 14 LYS QE 5.060 . 5.060 2.546 2.043 3.099 . 0 0 "[ . 1 . 2]" 1
470 1 14 LYS QB 1 15 GLU H 4.460 . 4.460 2.005 1.865 2.075 . 0 0 "[ . 1 . 2]" 1
471 1 14 LYS QB 1 16 LEU H 5.790 . 5.790 3.997 2.825 4.166 . 0 0 "[ . 1 . 2]" 1
472 1 14 LYS HG3 1 15 GLU H 4.400 . 4.400 2.024 1.791 3.250 0.009 4 0 "[ . 1 . 2]" 1
473 1 14 LYS HG2 1 15 GLU H 4.400 . 4.400 3.167 1.759 3.366 0.041 10 0 "[ . 1 . 2]" 1
474 1 14 LYS QG 1 15 GLU H 4.720 . 4.720 1.868 1.751 2.016 0.049 10 0 "[ . 1 . 2]" 1
475 1 14 LYS H 1 14 LYS HB3 3.850 . 3.850 3.541 2.562 3.734 . 0 0 "[ . 1 . 2]" 1
476 1 14 LYS H 1 14 LYS HB2 3.850 . 3.850 3.739 2.538 3.904 0.054 2 0 "[ . 1 . 2]" 1
477 1 14 LYS H 1 14 LYS QE 6.380 . 6.380 5.016 4.444 5.327 . 0 0 "[ . 1 . 2]" 1
478 1 14 LYS H 1 15 GLU H 3.990 . 3.990 3.334 3.172 3.999 0.009 6 0 "[ . 1 . 2]" 1
479 1 15 GLU HA 1 15 GLU HG3 3.940 . 3.940 2.699 2.202 3.642 . 0 0 "[ . 1 . 2]" 1
480 1 15 GLU HA 1 15 GLU HG2 3.940 . 3.940 2.717 2.358 3.239 . 0 0 "[ . 1 . 2]" 1
481 1 15 GLU HB3 1 16 LEU H 4.200 . 4.200 4.061 3.844 4.276 0.076 2 0 "[ . 1 . 2]" 1
482 1 15 GLU HB2 1 16 LEU H 4.200 . 4.200 3.603 3.492 3.718 . 0 0 "[ . 1 . 2]" 1
483 1 15 GLU QB 1 16 LEU H 4.410 . 4.410 3.369 3.342 3.395 . 0 0 "[ . 1 . 2]" 1
484 1 15 GLU QG 1 16 LEU H 5.630 . 5.630 4.610 4.309 4.688 . 0 0 "[ . 1 . 2]" 1
485 1 15 GLU H 1 15 GLU HB3 3.590 . 3.590 3.481 3.319 3.553 . 0 0 "[ . 1 . 2]" 1
486 1 15 GLU H 1 15 GLU HB2 3.590 . 3.590 2.206 2.027 2.505 . 0 0 "[ . 1 . 2]" 1
487 1 15 GLU H 1 15 GLU QG 4.010 . 4.010 2.786 2.177 3.149 . 0 0 "[ . 1 . 2]" 1
488 1 15 GLU H 1 16 LEU H 4.300 . 4.300 2.729 2.670 2.779 . 0 0 "[ . 1 . 2]" 1
489 1 15 GLU H 1 17 GLY H 5.060 . 5.060 4.777 4.677 5.001 . 0 0 "[ . 1 . 2]" 1
490 1 16 LEU HA 1 18 LEU QD 7.050 . 7.050 2.785 2.613 2.948 . 0 0 "[ . 1 . 2]" 1
491 1 16 LEU HA 1 18 LEU H 5.000 . 5.000 4.928 4.603 5.035 0.035 13 0 "[ . 1 . 2]" 1
492 1 16 LEU HA 1 40 ILE MD 4.910 . 4.910 1.819 1.778 1.861 0.022 14 0 "[ . 1 . 2]" 1
493 1 16 LEU HA 1 79 MET ME 5.370 . 5.370 4.362 4.237 4.423 . 0 0 "[ . 1 . 2]" 1
494 1 16 LEU QB 1 106 VAL QG 6.940 . 6.940 2.421 2.262 2.626 . 0 0 "[ . 1 . 2]" 1
495 1 16 LEU QB 1 17 GLY H 4.490 . 4.490 2.751 2.500 2.878 . 0 0 "[ . 1 . 2]" 1
496 1 16 LEU QB 1 18 LEU QD 7.410 . 7.410 2.377 1.801 3.218 . 0 0 "[ . 1 . 2]" 1
497 1 16 LEU QB 1 18 LEU H 5.200 . 5.200 3.186 2.943 3.442 . 0 0 "[ . 1 . 2]" 1
498 1 16 LEU QB 1 40 ILE MD 6.150 . 6.150 3.385 3.190 3.574 . 0 0 "[ . 1 . 2]" 1
499 1 16 LEU MD1 1 17 GLY H 6.040 . 6.040 4.745 4.586 4.858 . 0 0 "[ . 1 . 2]" 1
500 1 16 LEU MD1 1 79 MET ME 5.740 . 5.740 2.873 1.976 3.419 . 0 0 "[ . 1 . 2]" 1
501 1 16 LEU MD2 1 17 GLY H 6.040 . 6.040 4.496 4.120 4.769 . 0 0 "[ . 1 . 2]" 1
502 1 16 LEU MD2 1 79 MET ME 5.740 . 5.740 2.348 1.809 3.816 . 0 0 "[ . 1 . 2]" 1
503 1 16 LEU QD 1 106 VAL HA 7.410 . 7.410 4.999 4.710 5.588 . 0 0 "[ . 1 . 2]" 1
504 1 16 LEU QD 1 106 VAL HB 6.620 . 6.620 3.492 3.142 4.667 . 0 0 "[ . 1 . 2]" 1
505 1 16 LEU QD 1 106 VAL QG 7.360 . 7.360 1.881 1.636 2.905 0.164 17 0 "[ . 1 . 2]" 1
506 1 16 LEU QD 1 17 GLY H 6.520 . 6.520 4.100 3.889 4.213 . 0 0 "[ . 1 . 2]" 1
507 1 16 LEU QD 1 18 LEU HG 6.270 . 6.270 2.849 1.957 3.253 . 0 0 "[ . 1 . 2]" 1
508 1 16 LEU QD 1 40 ILE MD 6.210 . 6.210 2.037 1.690 2.754 0.110 15 0 "[ . 1 . 2]" 1
509 1 16 LEU QD 1 70 PHE HA 7.140 . 7.140 3.504 3.118 4.857 . 0 0 "[ . 1 . 2]" 1
510 1 16 LEU QD 1 73 ALA MB 7.830 . 7.830 2.948 2.423 3.580 . 0 0 "[ . 1 . 2]" 1
511 1 16 LEU QD 1 77 VAL QG 8.060 . 8.060 2.358 2.013 2.673 . 0 0 "[ . 1 . 2]" 1
512 1 16 LEU QD 1 79 MET ME 5.820 . 5.820 2.081 1.800 2.547 . 0 0 "[ . 1 . 2]" 1
513 1 16 LEU QD 1 79 MET QG 7.330 . 7.330 3.808 3.561 4.199 . 0 0 "[ . 1 . 2]" 1
514 1 16 LEU HG 1 18 LEU QD 6.590 . 6.590 2.987 1.748 3.809 0.052 6 0 "[ . 1 . 2]" 1
515 1 16 LEU HG 1 40 ILE MD 6.000 . 6.000 3.297 2.251 4.396 . 0 0 "[ . 1 . 2]" 1
516 1 16 LEU H 1 106 VAL QG 7.540 . 7.540 4.752 4.380 4.995 . 0 0 "[ . 1 . 2]" 1
517 1 16 LEU H 1 16 LEU MD1 5.670 . 5.670 3.697 2.894 4.276 . 0 0 "[ . 1 . 2]" 1
518 1 16 LEU H 1 16 LEU MD2 5.670 . 5.670 3.827 1.917 4.441 . 0 0 "[ . 1 . 2]" 1
519 1 16 LEU H 1 16 LEU HG 4.400 . 4.400 3.672 3.072 4.471 0.071 17 0 "[ . 1 . 2]" 1
520 1 16 LEU H 1 17 GLY H 3.890 . 3.890 2.810 2.759 2.906 . 0 0 "[ . 1 . 2]" 1
521 1 16 LEU H 1 40 ILE MD 6.050 . 6.050 3.921 3.826 3.978 . 0 0 "[ . 1 . 2]" 1
522 1 17 GLY HA3 1 33 ILE HB 5.040 . 5.040 4.359 4.250 4.606 . 0 0 "[ . 1 . 2]" 1
523 1 17 GLY HA3 1 33 ILE MD 5.150 . 5.150 2.306 1.970 2.890 . 0 0 "[ . 1 . 2]" 1
524 1 17 GLY HA3 1 33 ILE HG13 4.870 . 4.870 2.144 1.939 2.759 . 0 0 "[ . 1 . 2]" 1
525 1 17 GLY HA3 1 33 ILE HG12 4.870 . 4.870 2.073 1.842 2.590 . 0 0 "[ . 1 . 2]" 1
526 1 17 GLY HA3 1 33 ILE MG 5.800 . 5.800 4.046 3.763 4.256 . 0 0 "[ . 1 . 2]" 1
527 1 17 GLY HA3 1 36 GLN QB 6.110 . 6.110 3.037 2.776 3.697 . 0 0 "[ . 1 . 2]" 1
528 1 17 GLY HA3 1 36 GLN HG3 5.500 . 5.500 4.071 2.996 4.812 . 0 0 "[ . 1 . 2]" 1
529 1 17 GLY HA3 1 36 GLN HG2 5.500 . 5.500 3.045 1.969 4.313 . 0 0 "[ . 1 . 2]" 1
530 1 17 GLY HA3 1 36 GLN QG 5.620 . 5.620 2.819 1.961 3.377 . 0 0 "[ . 1 . 2]" 1
531 1 17 GLY HA2 1 33 ILE MD 5.070 . 5.070 2.177 1.972 2.639 . 0 0 "[ . 1 . 2]" 1
532 1 17 GLY HA2 1 33 ILE HG13 4.750 . 4.750 3.347 2.823 4.240 . 0 0 "[ . 1 . 2]" 1
533 1 17 GLY HA2 1 33 ILE HG12 4.750 . 4.750 2.537 1.960 3.284 . 0 0 "[ . 1 . 2]" 1
534 1 17 GLY HA2 1 33 ILE QG 5.030 . 5.030 2.461 1.929 3.140 . 0 0 "[ . 1 . 2]" 1
535 1 17 GLY HA2 1 33 ILE MG 6.200 . 6.200 3.944 3.674 4.492 . 0 0 "[ . 1 . 2]" 1
536 1 17 GLY HA2 1 36 GLN QB 6.220 . 6.220 4.387 4.060 5.162 . 0 0 "[ . 1 . 2]" 1
537 1 17 GLY HA2 1 36 GLN HG3 5.500 . 5.500 5.105 3.868 5.524 0.024 16 0 "[ . 1 . 2]" 1
538 1 17 GLY HA2 1 36 GLN HG2 5.500 . 5.500 4.131 3.537 5.505 0.005 17 0 "[ . 1 . 2]" 1
539 1 17 GLY H 1 106 VAL QG 7.540 . 7.540 4.391 3.835 4.888 . 0 0 "[ . 1 . 2]" 1
540 1 17 GLY H 1 18 LEU H 3.430 . 3.430 3.405 3.240 3.520 0.090 17 0 "[ . 1 . 2]" 1
541 1 17 GLY H 1 40 ILE MD 6.310 . 6.310 4.044 3.906 4.363 . 0 0 "[ . 1 . 2]" 1
542 1 18 LEU HA 1 19 SER QB 6.070 . 6.070 4.106 4.052 4.160 . 0 0 "[ . 1 . 2]" 1
543 1 18 LEU HA 1 19 SER H 3.260 . 3.260 2.203 2.156 2.231 . 0 0 "[ . 1 . 2]" 1
544 1 18 LEU HA 1 29 ILE MG 5.600 . 5.600 3.179 2.945 3.543 . 0 0 "[ . 1 . 2]" 1
545 1 18 LEU HA 1 31 ASP H 5.470 . 5.470 4.917 4.619 5.341 . 0 0 "[ . 1 . 2]" 1
546 1 18 LEU HA 1 32 LEU HA 3.910 . 3.910 2.369 2.047 2.607 . 0 0 "[ . 1 . 2]" 1
547 1 18 LEU HA 1 32 LEU QB 5.110 . 5.110 3.567 2.126 4.271 . 0 0 "[ . 1 . 2]" 1
548 1 18 LEU HA 1 32 LEU MD1 6.050 . 6.050 3.477 2.674 4.896 . 0 0 "[ . 1 . 2]" 1
549 1 18 LEU HA 1 32 LEU MD2 6.050 . 6.050 3.753 3.287 4.521 . 0 0 "[ . 1 . 2]" 1
550 1 18 LEU HA 1 32 LEU QD 6.430 . 6.430 3.147 2.604 4.074 . 0 0 "[ . 1 . 2]" 1
551 1 18 LEU HA 1 33 ILE QG 5.370 . 5.370 4.207 3.640 4.631 . 0 0 "[ . 1 . 2]" 1
552 1 18 LEU HA 1 33 ILE H 4.770 . 4.770 3.554 3.283 3.926 . 0 0 "[ . 1 . 2]" 1
553 1 18 LEU HA 1 40 ILE MG 6.020 . 6.020 4.165 3.745 4.439 . 0 0 "[ . 1 . 2]" 1
554 1 18 LEU HB3 1 19 SER H 4.840 . 4.840 4.433 4.346 4.533 . 0 0 "[ . 1 . 2]" 1
555 1 18 LEU HB3 1 29 ILE MG 5.700 . 5.700 3.698 3.286 4.174 . 0 0 "[ . 1 . 2]" 1
556 1 18 LEU HB3 1 40 ILE MD 5.250 . 5.250 3.401 3.030 3.753 . 0 0 "[ . 1 . 2]" 1
557 1 18 LEU HB2 1 19 SER H 4.420 . 4.420 3.938 3.752 3.978 . 0 0 "[ . 1 . 2]" 1
558 1 18 LEU HB2 1 20 LEU QD 6.130 . 6.130 2.813 2.462 3.435 . 0 0 "[ . 1 . 2]" 1
559 1 18 LEU HB2 1 29 ILE MG 4.590 . 4.590 2.684 2.408 2.839 . 0 0 "[ . 1 . 2]" 1
560 1 18 LEU HB2 1 32 LEU QB 5.680 . 5.680 4.740 3.411 5.112 . 0 0 "[ . 1 . 2]" 1
561 1 18 LEU MD1 1 40 ILE MD 6.280 . 6.280 4.088 3.763 4.261 . 0 0 "[ . 1 . 2]" 1
562 1 18 LEU MD1 1 79 MET ME 5.540 . 5.540 2.565 1.967 2.977 . 0 0 "[ . 1 . 2]" 1
563 1 18 LEU MD2 1 40 ILE MD 6.280 . 6.280 1.868 1.750 2.067 0.050 16 0 "[ . 1 . 2]" 1
564 1 18 LEU MD2 1 79 MET ME 5.540 . 5.540 1.997 1.826 2.332 . 0 0 "[ . 1 . 2]" 1
565 1 18 LEU QD 1 106 VAL QG 8.490 . 8.490 2.401 1.880 2.943 . 0 0 "[ . 1 . 2]" 1
566 1 18 LEU QD 1 19 SER H 6.080 . 6.080 4.361 4.137 4.521 . 0 0 "[ . 1 . 2]" 1
567 1 18 LEU QD 1 20 LEU HA 6.960 . 6.960 4.302 3.838 4.606 . 0 0 "[ . 1 . 2]" 1
568 1 18 LEU QD 1 20 LEU QD 7.570 . 7.570 1.658 1.573 1.784 0.227 7 0 "[ . 1 . 2]" 1
569 1 18 LEU QD 1 29 ILE HA 6.980 . 6.980 4.582 4.214 4.879 . 0 0 "[ . 1 . 2]" 1
570 1 18 LEU QD 1 29 ILE MG 7.140 . 7.140 3.476 3.128 3.731 . 0 0 "[ . 1 . 2]" 1
571 1 18 LEU QD 1 40 ILE MD 6.140 . 6.140 1.865 1.748 2.061 0.052 16 0 "[ . 1 . 2]" 1
572 1 18 LEU QD 1 40 ILE MG 6.180 . 6.180 2.280 2.003 2.692 . 0 0 "[ . 1 . 2]" 1
573 1 18 LEU QD 1 44 LEU HB3 7.540 . 7.540 3.909 3.477 4.495 . 0 0 "[ . 1 . 2]" 1
574 1 18 LEU QD 1 44 LEU QD 6.890 . 6.890 1.916 1.700 2.425 0.100 5 0 "[ . 1 . 2]" 1
575 1 18 LEU QD 1 44 LEU HG 7.320 . 7.320 3.683 2.412 4.232 . 0 0 "[ . 1 . 2]" 1
576 1 18 LEU QD 1 50 ILE MD 6.230 . 6.230 2.405 2.151 2.744 . 0 0 "[ . 1 . 2]" 1
577 1 18 LEU HG 1 106 VAL H 4.900 . 4.900 4.285 3.768 4.902 0.002 1 0 "[ . 1 . 2]" 1
578 1 18 LEU HG 1 19 SER H 4.920 . 4.920 4.799 4.596 4.998 0.078 17 0 "[ . 1 . 2]" 1
579 1 18 LEU HG 1 40 ILE MD 5.680 . 5.680 3.903 3.296 4.639 . 0 0 "[ . 1 . 2]" 1
580 1 18 LEU H 1 105 TRP HA 5.260 . 5.260 3.843 3.627 4.117 . 0 0 "[ . 1 . 2]" 1
581 1 18 LEU H 1 106 VAL QG 6.520 . 6.520 3.425 2.861 3.849 . 0 0 "[ . 1 . 2]" 1
582 1 18 LEU H 1 106 VAL H 4.770 . 4.770 3.699 3.210 4.049 . 0 0 "[ . 1 . 2]" 1
583 1 18 LEU H 1 18 LEU HB3 3.970 . 3.970 3.433 3.250 3.636 . 0 0 "[ . 1 . 2]" 1
584 1 18 LEU H 1 18 LEU HB2 4.190 . 4.190 3.844 3.698 3.923 . 0 0 "[ . 1 . 2]" 1
585 1 18 LEU H 1 18 LEU MD1 5.470 . 5.470 3.589 2.834 4.194 . 0 0 "[ . 1 . 2]" 1
586 1 18 LEU H 1 18 LEU MD2 5.470 . 5.470 3.345 2.522 3.787 . 0 0 "[ . 1 . 2]" 1
587 1 18 LEU H 1 18 LEU HG 3.970 . 3.970 2.276 1.995 2.677 . 0 0 "[ . 1 . 2]" 1
588 1 18 LEU H 1 19 SER H 4.840 . 4.840 3.681 3.571 3.909 . 0 0 "[ . 1 . 2]" 1
589 1 19 SER HA 1 105 TRP HA 3.650 . 3.650 2.848 2.784 2.929 . 0 0 "[ . 1 . 2]" 1
590 1 19 SER HA 1 105 TRP QB 5.320 . 5.320 4.559 4.448 4.728 . 0 0 "[ . 1 . 2]" 1
591 1 19 SER HA 1 106 VAL H 4.200 . 4.200 4.199 4.077 4.222 0.022 6 0 "[ . 1 . 2]" 1
592 1 19 SER HA 1 20 LEU H 3.350 . 3.350 2.129 2.122 2.137 . 0 0 "[ . 1 . 2]" 1
593 1 19 SER HA 1 31 ASP H 5.140 . 5.140 4.441 4.269 4.520 . 0 0 "[ . 1 . 2]" 1
594 1 19 SER HB3 1 105 TRP HA 5.190 . 5.190 5.205 5.194 5.224 0.034 13 0 "[ . 1 . 2]" 1
595 1 19 SER HB2 1 105 TRP HA 5.190 . 5.190 3.917 3.783 4.099 . 0 0 "[ . 1 . 2]" 1
596 1 19 SER QB 1 105 TRP HA 5.450 . 5.450 3.809 3.699 3.955 . 0 0 "[ . 1 . 2]" 1
597 1 19 SER QB 1 20 LEU H 5.350 . 5.350 3.805 3.720 3.871 . 0 0 "[ . 1 . 2]" 1
598 1 19 SER QB 1 30 ALA HA 6.220 . 6.220 5.190 4.988 5.337 . 0 0 "[ . 1 . 2]" 1
599 1 19 SER QB 1 30 ALA MB 5.390 . 5.390 3.314 3.073 3.508 . 0 0 "[ . 1 . 2]" 1
600 1 19 SER QB 1 30 ALA H 5.000 . 5.000 3.992 3.782 4.138 . 0 0 "[ . 1 . 2]" 1
601 1 19 SER QB 1 31 ASP HA 6.220 . 6.220 3.784 3.647 4.005 . 0 0 "[ . 1 . 2]" 1
602 1 19 SER QB 1 31 ASP QB 5.830 . 5.830 1.966 1.862 2.087 . 0 0 "[ . 1 . 2]" 1
603 1 19 SER QB 1 31 ASP H 4.580 . 4.580 2.350 2.172 2.565 . 0 0 "[ . 1 . 2]" 1
604 1 19 SER QB 1 32 LEU HA 6.220 . 6.220 3.977 3.567 4.197 . 0 0 "[ . 1 . 2]" 1
605 1 19 SER H 1 19 SER HB3 3.730 . 3.730 2.239 2.147 2.394 . 0 0 "[ . 1 . 2]" 1
606 1 19 SER H 1 19 SER HB2 3.730 . 3.730 2.893 2.726 3.051 . 0 0 "[ . 1 . 2]" 1
607 1 19 SER H 1 20 LEU QD 6.770 . 6.770 4.215 3.785 5.032 . 0 0 "[ . 1 . 2]" 1
608 1 19 SER H 1 20 LEU H 4.840 . 4.840 4.450 4.374 4.504 . 0 0 "[ . 1 . 2]" 1
609 1 19 SER H 1 29 ILE MG 5.200 . 5.200 3.278 3.122 3.487 . 0 0 "[ . 1 . 2]" 1
610 1 19 SER H 1 31 ASP QB 5.450 . 5.450 3.532 3.346 3.725 . 0 0 "[ . 1 . 2]" 1
611 1 19 SER H 1 32 LEU HA 3.830 . 3.830 2.792 2.418 2.937 . 0 0 "[ . 1 . 2]" 1
612 1 19 SER H 1 32 LEU QB 5.190 . 5.190 4.349 3.516 4.628 . 0 0 "[ . 1 . 2]" 1
613 1 19 SER H 1 32 LEU QD 6.030 . 6.030 4.164 3.809 4.611 . 0 0 "[ . 1 . 2]" 1
614 1 19 SER H 1 33 ILE H 5.500 . 5.500 4.195 3.959 4.397 . 0 0 "[ . 1 . 2]" 1
615 1 20 LEU HA 1 21 SER H 3.050 . 3.050 2.394 2.325 2.450 . 0 0 "[ . 1 . 2]" 1
616 1 20 LEU HA 1 27 CYS QB 5.820 . 5.820 3.598 3.376 3.931 . 0 0 "[ . 1 . 2]" 1
617 1 20 LEU HA 1 29 ILE HA 4.270 . 4.270 2.151 1.973 2.523 . 0 0 "[ . 1 . 2]" 1
618 1 20 LEU HA 1 29 ILE MD 6.520 . 6.520 5.224 5.111 5.465 . 0 0 "[ . 1 . 2]" 1
619 1 20 LEU HA 1 29 ILE MG 5.280 . 5.280 3.655 3.537 3.979 . 0 0 "[ . 1 . 2]" 1
620 1 20 LEU HA 1 30 ALA MB 5.410 . 5.410 3.943 3.732 4.189 . 0 0 "[ . 1 . 2]" 1
621 1 20 LEU HA 1 30 ALA H 4.010 . 4.010 2.710 2.456 2.924 . 0 0 "[ . 1 . 2]" 1
622 1 20 LEU HA 1 31 ASP H 4.630 . 4.630 4.450 4.252 4.597 . 0 0 "[ . 1 . 2]" 1
623 1 20 LEU HB3 1 21 SER H 4.420 . 4.420 2.421 2.230 2.629 . 0 0 "[ . 1 . 2]" 1
624 1 20 LEU HB2 1 21 SER H 4.420 . 4.420 3.548 3.193 3.965 . 0 0 "[ . 1 . 2]" 1
625 1 20 LEU QB 1 21 SER H 4.750 . 4.750 2.381 2.202 2.594 . 0 0 "[ . 1 . 2]" 1
626 1 20 LEU QB 1 27 CYS QB 5.810 . 5.810 1.924 1.799 2.137 0.001 19 0 "[ . 1 . 2]" 1
627 1 20 LEU MD1 1 21 SER H 5.760 . 5.760 3.990 3.391 4.744 . 0 0 "[ . 1 . 2]" 1
628 1 20 LEU MD1 1 27 CYS HB3 5.820 . 5.820 3.884 2.827 4.776 . 0 0 "[ . 1 . 2]" 1
629 1 20 LEU MD1 1 27 CYS HB2 5.820 . 5.820 3.353 2.763 4.295 . 0 0 "[ . 1 . 2]" 1
630 1 20 LEU MD1 1 50 ILE MD 6.420 . 6.420 2.089 1.737 3.167 0.063 13 0 "[ . 1 . 2]" 1
631 1 20 LEU MD2 1 21 SER H 5.760 . 5.760 4.154 3.352 4.819 . 0 0 "[ . 1 . 2]" 1
632 1 20 LEU MD2 1 27 CYS HB3 5.820 . 5.820 4.071 2.158 4.857 . 0 0 "[ . 1 . 2]" 1
633 1 20 LEU MD2 1 27 CYS HB2 5.820 . 5.820 3.606 1.935 4.892 . 0 0 "[ . 1 . 2]" 1
634 1 20 LEU MD2 1 50 ILE MD 6.420 . 6.420 2.411 1.687 3.816 0.113 8 0 "[ . 1 . 2]" 1
635 1 20 LEU QD 1 106 VAL QG 7.610 . 7.610 2.125 1.683 2.838 0.117 7 0 "[ . 1 . 2]" 1
636 1 20 LEU QD 1 21 SER H 5.860 . 5.860 3.440 3.244 3.730 . 0 0 "[ . 1 . 2]" 1
637 1 20 LEU QD 1 27 CYS HA 7.540 . 7.540 4.703 4.172 5.331 . 0 0 "[ . 1 . 2]" 1
638 1 20 LEU QD 1 27 CYS QB 6.440 . 6.440 2.666 1.841 3.249 . 0 0 "[ . 1 . 2]" 1
639 1 20 LEU QD 1 29 ILE HA 5.750 . 5.750 2.658 2.188 3.278 . 0 0 "[ . 1 . 2]" 1
640 1 20 LEU QD 1 29 ILE MD 6.970 . 6.970 3.495 3.088 3.752 . 0 0 "[ . 1 . 2]" 1
641 1 20 LEU QD 1 29 ILE QG 6.940 . 6.940 2.288 1.906 2.648 . 0 0 "[ . 1 . 2]" 1
642 1 20 LEU QD 1 29 ILE MG 6.500 . 6.500 2.954 2.619 3.452 . 0 0 "[ . 1 . 2]" 1
643 1 20 LEU QD 1 30 ALA H 6.550 . 6.550 3.932 3.498 4.679 . 0 0 "[ . 1 . 2]" 1
644 1 20 LEU QD 1 44 LEU QD 8.530 . 8.530 3.471 3.035 3.659 . 0 0 "[ . 1 . 2]" 1
645 1 20 LEU QD 1 50 ILE MD 6.350 . 6.350 1.708 1.577 1.830 0.223 8 0 "[ . 1 . 2]" 1
646 1 20 LEU QD 1 67 TYR HA 6.110 . 6.110 3.315 2.703 3.782 . 0 0 "[ . 1 . 2]" 1
647 1 20 LEU QD 1 67 TYR H 7.540 . 7.540 4.734 4.168 5.244 . 0 0 "[ . 1 . 2]" 1
648 1 20 LEU QD 1 70 PHE QB 7.960 . 7.960 2.683 2.384 3.267 . 0 0 "[ . 1 . 2]" 1
649 1 20 LEU HG 1 21 SER H 4.910 . 4.910 4.487 3.011 4.926 0.016 5 0 "[ . 1 . 2]" 1
650 1 20 LEU H 1 105 TRP HA 4.130 . 4.130 4.148 4.131 4.163 0.033 7 0 "[ . 1 . 2]" 1
651 1 20 LEU H 1 106 VAL H 5.040 . 5.040 4.736 4.444 4.894 . 0 0 "[ . 1 . 2]" 1
652 1 20 LEU H 1 20 LEU MD1 5.280 . 5.280 3.205 2.656 3.948 . 0 0 "[ . 1 . 2]" 1
653 1 20 LEU H 1 20 LEU MD2 5.280 . 5.280 2.959 1.868 4.114 . 0 0 "[ . 1 . 2]" 1
654 1 20 LEU H 1 20 LEU HG 4.400 . 4.400 3.402 2.080 4.407 0.007 3 0 "[ . 1 . 2]" 1
655 1 20 LEU H 1 21 SER H 4.620 . 4.620 4.552 4.508 4.585 . 0 0 "[ . 1 . 2]" 1
656 1 21 SER HA 1 22 PRO HG3 4.860 . 4.860 4.536 3.942 4.690 . 0 0 "[ . 1 . 2]" 1
657 1 21 SER HA 1 22 PRO HG2 5.270 . 5.270 4.690 4.528 4.824 . 0 0 "[ . 1 . 2]" 1
658 1 21 SER HA 1 30 ALA MB 5.170 . 5.170 3.896 3.548 4.107 . 0 0 "[ . 1 . 2]" 1
659 1 21 SER HB3 1 22 PRO HD3 4.670 . 4.670 3.676 3.023 4.675 0.005 18 0 "[ . 1 . 2]" 1
660 1 21 SER HB3 1 22 PRO HD2 3.960 . 3.960 2.526 1.918 3.955 . 0 0 "[ . 1 . 2]" 1
661 1 21 SER HB3 1 30 ALA HA 5.330 . 5.330 4.970 3.534 5.340 0.010 9 0 "[ . 1 . 2]" 1
662 1 21 SER HB3 1 30 ALA MB 4.930 . 4.930 3.448 1.959 3.902 . 0 0 "[ . 1 . 2]" 1
663 1 21 SER HB2 1 22 PRO HD3 4.670 . 4.670 4.270 2.501 4.681 0.011 11 0 "[ . 1 . 2]" 1
664 1 21 SER HB2 1 22 PRO HD2 3.960 . 3.960 3.302 1.985 3.741 . 0 0 "[ . 1 . 2]" 1
665 1 21 SER HB2 1 30 ALA HA 5.330 . 5.330 4.321 3.599 5.332 0.002 15 0 "[ . 1 . 2]" 1
666 1 21 SER HB2 1 30 ALA MB 4.930 . 4.930 3.009 2.377 3.960 . 0 0 "[ . 1 . 2]" 1
667 1 21 SER QB 1 22 PRO HA 6.020 . 6.020 4.622 4.469 5.069 . 0 0 "[ . 1 . 2]" 1
668 1 21 SER QB 1 22 PRO HD3 4.820 . 4.820 3.359 2.468 3.782 . 0 0 "[ . 1 . 2]" 1
669 1 21 SER QB 1 22 PRO HD2 4.330 . 4.330 2.251 1.895 2.659 . 0 0 "[ . 1 . 2]" 1
670 1 21 SER QB 1 22 PRO HG2 5.260 . 5.260 4.018 3.648 4.585 . 0 0 "[ . 1 . 2]" 1
671 1 21 SER QB 1 28 THR HA 6.220 . 6.220 4.704 4.344 5.370 . 0 0 "[ . 1 . 2]" 1
672 1 21 SER QB 1 28 THR HB 4.430 . 4.430 2.628 2.122 3.552 . 0 0 "[ . 1 . 2]" 1
673 1 21 SER QB 1 28 THR MG 5.650 . 5.650 3.464 3.221 3.905 . 0 0 "[ . 1 . 2]" 1
674 1 21 SER QB 1 30 ALA HA 5.480 . 5.480 3.941 3.455 4.482 . 0 0 "[ . 1 . 2]" 1
675 1 21 SER QB 1 30 ALA MB 5.070 . 5.070 2.644 1.941 3.260 . 0 0 "[ . 1 . 2]" 1
676 1 21 SER QB 1 94 LEU QD 6.910 . 6.910 3.213 2.615 4.106 . 0 0 "[ . 1 . 2]" 1
677 1 21 SER H 1 27 CYS HA 4.600 . 4.600 3.560 3.417 3.757 . 0 0 "[ . 1 . 2]" 1
678 1 21 SER H 1 28 THR HB 4.390 . 4.390 4.080 3.844 4.201 . 0 0 "[ . 1 . 2]" 1
679 1 21 SER H 1 28 THR MG 5.760 . 5.760 4.722 4.503 4.778 . 0 0 "[ . 1 . 2]" 1
680 1 21 SER H 1 28 THR H 4.030 . 4.030 3.342 3.133 3.483 . 0 0 "[ . 1 . 2]" 1
681 1 21 SER H 1 29 ILE HA 4.760 . 4.760 3.687 3.487 3.898 . 0 0 "[ . 1 . 2]" 1
682 1 21 SER H 1 30 ALA MB 5.650 . 5.650 4.232 3.946 4.426 . 0 0 "[ . 1 . 2]" 1
683 1 21 SER H 1 50 ILE MD 6.520 . 6.520 4.971 4.732 5.325 . 0 0 "[ . 1 . 2]" 1
684 1 22 PRO HA 1 23 ASN H 2.740 . 2.740 2.164 2.148 2.264 . 0 0 "[ . 1 . 2]" 1
685 1 22 PRO HA 1 27 CYS HA 4.230 . 4.230 3.765 3.493 3.992 . 0 0 "[ . 1 . 2]" 1
686 1 22 PRO HA 1 63 PHE HB3 4.940 . 4.940 4.015 3.546 4.510 . 0 0 "[ . 1 . 2]" 1
687 1 22 PRO HA 1 63 PHE HB2 4.940 . 4.940 2.323 1.961 2.841 . 0 0 "[ . 1 . 2]" 1
688 1 22 PRO HA 1 63 PHE QB 5.190 . 5.190 2.308 1.952 2.813 . 0 0 "[ . 1 . 2]" 1
689 1 22 PRO QB 1 23 ASN H 4.660 . 4.660 3.403 3.199 3.752 . 0 0 "[ . 1 . 2]" 1
690 1 22 PRO QB 1 63 PHE QB 5.930 . 5.930 2.316 1.921 2.706 . 0 0 "[ . 1 . 2]" 1
691 1 22 PRO HG3 1 63 PHE HB3 5.500 . 5.500 4.681 2.439 5.507 0.007 18 0 "[ . 1 . 2]" 1
692 1 22 PRO HG3 1 63 PHE HB2 5.500 . 5.500 4.141 1.991 4.953 . 0 0 "[ . 1 . 2]" 1
693 1 22 PRO HG3 1 63 PHE QB 5.670 . 5.670 3.874 1.907 4.546 . 0 0 "[ . 1 . 2]" 1
694 1 22 PRO HG2 1 63 PHE QB 6.220 . 6.220 4.718 3.433 5.247 . 0 0 "[ . 1 . 2]" 1
695 1 23 ASN HA 1 23 ASN HD21 4.230 . 4.230 2.058 1.956 3.184 . 0 0 "[ . 1 . 2]" 1
696 1 23 ASN HA 1 23 ASN HD22 4.020 . 4.020 3.243 3.194 3.781 . 0 0 "[ . 1 . 2]" 1
697 1 23 ASN HA 1 24 GLU QB 5.440 . 5.440 4.351 4.314 4.420 . 0 0 "[ . 1 . 2]" 1
698 1 23 ASN HA 1 24 GLU H 2.840 . 2.840 2.388 2.384 2.396 . 0 0 "[ . 1 . 2]" 1
699 1 23 ASN HA 1 27 CYS HA 4.760 . 4.760 4.739 4.543 4.780 0.020 15 0 "[ . 1 . 2]" 1
700 1 23 ASN HA 1 28 THR H 4.570 . 4.570 4.438 4.346 4.562 . 0 0 "[ . 1 . 2]" 1
701 1 23 ASN HA 1 49 ILE MG 5.680 . 5.680 4.428 4.295 4.539 . 0 0 "[ . 1 . 2]" 1
702 1 23 ASN HB3 1 24 GLU H 3.620 . 3.620 2.858 2.506 2.952 . 0 0 "[ . 1 . 2]" 1
703 1 23 ASN HB3 1 25 ILE MD 6.520 . 6.520 4.342 4.190 4.394 . 0 0 "[ . 1 . 2]" 1
704 1 23 ASN HB3 1 26 GLY H 3.420 . 3.420 2.037 1.936 2.481 . 0 0 "[ . 1 . 2]" 1
705 1 23 ASN HB3 1 27 CYS HA 4.600 . 4.600 3.623 3.499 3.971 . 0 0 "[ . 1 . 2]" 1
706 1 23 ASN HB3 1 28 THR HB 5.500 . 5.500 5.419 5.252 5.504 0.004 14 0 "[ . 1 . 2]" 1
707 1 23 ASN HB3 1 28 THR H 4.460 . 4.460 3.725 3.614 3.867 . 0 0 "[ . 1 . 2]" 1
708 1 23 ASN HB3 1 49 ILE MD 6.520 . 6.520 4.788 4.046 5.195 . 0 0 "[ . 1 . 2]" 1
709 1 23 ASN HB3 1 49 ILE MG 5.190 . 5.190 2.496 2.333 2.610 . 0 0 "[ . 1 . 2]" 1
710 1 23 ASN HB2 1 23 ASN HD22 3.870 . 3.870 3.704 3.624 3.969 0.099 8 0 "[ . 1 . 2]" 1
711 1 23 ASN HB2 1 24 GLU H 4.250 . 4.250 4.023 3.884 4.040 . 0 0 "[ . 1 . 2]" 1
712 1 23 ASN HB2 1 25 ILE MD 6.520 . 6.520 5.390 5.289 5.421 . 0 0 "[ . 1 . 2]" 1
713 1 23 ASN HB2 1 25 ILE H 4.950 . 4.950 4.313 4.035 4.606 . 0 0 "[ . 1 . 2]" 1
714 1 23 ASN HB2 1 26 GLY H 3.680 . 3.680 3.419 2.959 3.550 . 0 0 "[ . 1 . 2]" 1
715 1 23 ASN HB2 1 27 CYS HA 4.630 . 4.630 2.283 2.203 2.376 . 0 0 "[ . 1 . 2]" 1
716 1 23 ASN HB2 1 28 THR HB 4.970 . 4.970 4.028 3.800 4.469 . 0 0 "[ . 1 . 2]" 1
717 1 23 ASN HB2 1 28 THR H 4.210 . 4.210 2.134 1.996 2.505 . 0 0 "[ . 1 . 2]" 1
718 1 23 ASN HB2 1 49 ILE MD 6.520 . 6.520 5.178 4.435 5.463 . 0 0 "[ . 1 . 2]" 1
719 1 23 ASN HB2 1 49 ILE HG12 5.500 . 5.500 4.451 4.180 4.821 . 0 0 "[ . 1 . 2]" 1
720 1 23 ASN HB2 1 49 ILE MG 5.320 . 5.320 2.567 2.367 2.724 . 0 0 "[ . 1 . 2]" 1
721 1 23 ASN HD21 1 24 GLU H 4.420 . 4.420 3.830 3.014 4.101 . 0 0 "[ . 1 . 2]" 1
722 1 23 ASN HD21 1 25 ILE H 5.500 . 5.500 5.262 3.710 5.506 0.006 7 0 "[ . 1 . 2]" 1
723 1 23 ASN HD21 1 49 ILE MG 6.040 . 6.040 3.921 2.864 4.162 . 0 0 "[ . 1 . 2]" 1
724 1 23 ASN HD22 1 24 GLU H 4.410 . 4.410 4.230 4.036 4.437 0.027 8 0 "[ . 1 . 2]" 1
725 1 23 ASN HD22 1 25 ILE H 5.500 . 5.500 5.451 5.279 5.510 0.010 9 0 "[ . 1 . 2]" 1
726 1 23 ASN HD22 1 49 ILE MD 6.110 . 6.110 4.298 3.661 4.836 . 0 0 "[ . 1 . 2]" 1
727 1 23 ASN HD22 1 49 ILE HG12 5.120 . 5.120 3.837 3.087 4.422 . 0 0 "[ . 1 . 2]" 1
728 1 23 ASN HD22 1 49 ILE MG 6.080 . 6.080 3.796 3.383 4.015 . 0 0 "[ . 1 . 2]" 1
729 1 23 ASN H 1 23 ASN HB3 3.780 . 3.780 3.364 3.206 3.537 . 0 0 "[ . 1 . 2]" 1
730 1 23 ASN H 1 23 ASN HB2 3.630 . 3.630 2.706 2.338 2.832 . 0 0 "[ . 1 . 2]" 1
731 1 23 ASN H 1 23 ASN HD21 5.080 . 5.080 3.994 3.907 5.093 0.013 8 0 "[ . 1 . 2]" 1
732 1 23 ASN H 1 23 ASN HD22 5.470 . 5.470 5.489 5.469 5.544 0.074 8 0 "[ . 1 . 2]" 1
733 1 23 ASN H 1 24 GLU H 4.680 . 4.680 4.436 4.396 4.518 . 0 0 "[ . 1 . 2]" 1
734 1 23 ASN H 1 25 ILE H 5.500 . 5.500 5.248 4.929 5.519 0.019 7 0 "[ . 1 . 2]" 1
735 1 23 ASN H 1 26 GLY H 4.700 . 4.700 4.116 3.944 4.276 . 0 0 "[ . 1 . 2]" 1
736 1 23 ASN H 1 27 CYS HA 3.790 . 3.790 3.063 2.379 3.308 . 0 0 "[ . 1 . 2]" 1
737 1 23 ASN H 1 28 THR H 4.310 . 4.310 4.096 3.594 4.316 0.006 2 0 "[ . 1 . 2]" 1
738 1 23 ASN H 1 63 PHE QB 5.330 . 5.330 4.004 3.532 4.371 . 0 0 "[ . 1 . 2]" 1
739 1 24 GLU HA 1 25 ILE MG 5.950 . 5.950 4.683 4.590 4.791 . 0 0 "[ . 1 . 2]" 1
740 1 24 GLU HA 1 26 GLY H 4.930 . 4.930 4.132 4.032 4.233 . 0 0 "[ . 1 . 2]" 1
741 1 24 GLU QB 1 25 ILE MD 6.940 . 6.940 5.096 5.068 5.146 . 0 0 "[ . 1 . 2]" 1
742 1 24 GLU QB 1 25 ILE MG 5.590 . 5.590 3.595 3.483 3.679 . 0 0 "[ . 1 . 2]" 1
743 1 24 GLU QB 1 25 ILE H 4.430 . 4.430 3.522 3.352 3.688 . 0 0 "[ . 1 . 2]" 1
744 1 24 GLU QG 1 25 ILE MD 5.800 . 5.800 3.267 3.208 3.400 . 0 0 "[ . 1 . 2]" 1
745 1 24 GLU QG 1 25 ILE HG13 5.910 . 5.910 4.422 4.171 4.595 . 0 0 "[ . 1 . 2]" 1
746 1 24 GLU QG 1 25 ILE HG12 5.910 . 5.910 2.924 2.570 3.147 . 0 0 "[ . 1 . 2]" 1
747 1 24 GLU QG 1 25 ILE QG 6.180 . 6.180 2.884 2.547 3.096 . 0 0 "[ . 1 . 2]" 1
748 1 24 GLU QG 1 25 ILE MG 4.930 . 4.930 2.081 1.888 2.320 . 0 0 "[ . 1 . 2]" 1
749 1 24 GLU QG 1 25 ILE H 4.870 . 4.870 2.181 1.957 2.535 . 0 0 "[ . 1 . 2]" 1
750 1 24 GLU QG 1 51 THR MG 7.400 . 7.400 5.407 5.312 5.446 . 0 0 "[ . 1 . 2]" 1
751 1 24 GLU H 1 24 GLU QB 3.770 . 3.770 2.594 2.520 2.669 . 0 0 "[ . 1 . 2]" 1
752 1 24 GLU H 1 24 GLU QG 4.310 . 4.310 2.016 1.980 2.153 . 0 0 "[ . 1 . 2]" 1
753 1 24 GLU H 1 25 ILE QG 5.270 . 5.270 3.559 3.317 3.790 . 0 0 "[ . 1 . 2]" 1
754 1 24 GLU H 1 25 ILE MG 5.330 . 5.330 4.208 4.087 4.320 . 0 0 "[ . 1 . 2]" 1
755 1 24 GLU H 1 25 ILE H 3.820 . 3.820 2.410 2.357 2.543 . 0 0 "[ . 1 . 2]" 1
756 1 24 GLU H 1 26 GLY H 4.610 . 4.610 3.671 3.600 3.813 . 0 0 "[ . 1 . 2]" 1
757 1 25 ILE HA 1 59 GLU HA 3.800 . 3.800 2.237 2.175 2.305 . 0 0 "[ . 1 . 2]" 1
758 1 25 ILE HA 1 59 GLU HB3 4.900 . 4.900 4.126 3.614 4.384 . 0 0 "[ . 1 . 2]" 1
759 1 25 ILE HA 1 59 GLU HB2 4.900 . 4.900 3.712 3.077 4.279 . 0 0 "[ . 1 . 2]" 1
760 1 25 ILE HA 1 59 GLU QB 4.940 . 4.940 3.421 2.995 3.656 . 0 0 "[ . 1 . 2]" 1
761 1 25 ILE HA 1 59 GLU HG3 4.000 . 4.000 2.122 1.966 2.656 . 0 0 "[ . 1 . 2]" 1
762 1 25 ILE HA 1 59 GLU HG2 4.000 . 4.000 2.413 1.990 3.659 . 0 0 "[ . 1 . 2]" 1
763 1 25 ILE HB 1 26 GLY H 4.620 . 4.620 4.202 4.117 4.294 . 0 0 "[ . 1 . 2]" 1
764 1 25 ILE HB 1 49 ILE MG 5.760 . 5.760 4.251 4.060 4.484 . 0 0 "[ . 1 . 2]" 1
765 1 25 ILE HB 1 51 THR MG 5.200 . 5.200 2.340 2.030 2.601 . 0 0 "[ . 1 . 2]" 1
766 1 25 ILE HB 1 59 GLU HA 4.930 . 4.930 3.789 3.692 3.905 . 0 0 "[ . 1 . 2]" 1
767 1 25 ILE MD 1 49 ILE MG 5.110 . 5.110 2.866 2.746 3.045 . 0 0 "[ . 1 . 2]" 1
768 1 25 ILE MD 1 51 THR HA 6.520 . 6.520 5.332 5.202 5.430 . 0 0 "[ . 1 . 2]" 1
769 1 25 ILE MD 1 51 THR HB 5.680 . 5.680 4.459 4.348 4.668 . 0 0 "[ . 1 . 2]" 1
770 1 25 ILE MD 1 51 THR MG 4.870 . 4.870 2.583 2.342 2.772 . 0 0 "[ . 1 . 2]" 1
771 1 25 ILE MD 1 82 THR HB 5.100 . 5.100 3.530 3.345 3.751 . 0 0 "[ . 1 . 2]" 1
772 1 25 ILE MD 1 82 THR MG 5.440 . 5.440 3.157 2.863 3.322 . 0 0 "[ . 1 . 2]" 1
773 1 25 ILE MD 1 84 PRO HD3 5.980 . 5.980 4.584 4.397 4.907 . 0 0 "[ . 1 . 2]" 1
774 1 25 ILE HG13 1 26 GLY HA3 4.940 . 4.940 3.666 3.603 3.795 . 0 0 "[ . 1 . 2]" 1
775 1 25 ILE HG13 1 49 ILE MG 4.730 . 4.730 2.230 1.972 2.580 . 0 0 "[ . 1 . 2]" 1
776 1 25 ILE HG12 1 26 GLY HA3 4.940 . 4.940 4.552 4.356 4.943 0.003 14 0 "[ . 1 . 2]" 1
777 1 25 ILE HG12 1 49 ILE MG 4.730 . 4.730 2.587 2.342 2.836 . 0 0 "[ . 1 . 2]" 1
778 1 25 ILE QG 1 26 GLY HA3 5.220 . 5.220 3.519 3.443 3.664 . 0 0 "[ . 1 . 2]" 1
779 1 25 ILE QG 1 26 GLY H 4.700 . 4.700 2.824 2.651 3.130 . 0 0 "[ . 1 . 2]" 1
780 1 25 ILE QG 1 49 ILE MD 6.360 . 6.360 3.156 2.639 3.532 . 0 0 "[ . 1 . 2]" 1
781 1 25 ILE QG 1 49 ILE MG 4.930 . 4.930 2.090 1.925 2.350 . 0 0 "[ . 1 . 2]" 1
782 1 25 ILE MG 1 26 GLY HA3 6.520 . 6.520 5.492 5.481 5.503 . 0 0 "[ . 1 . 2]" 1
783 1 25 ILE MG 1 26 GLY H 5.140 . 5.140 4.194 4.139 4.286 . 0 0 "[ . 1 . 2]" 1
784 1 25 ILE MG 1 51 THR HB 5.980 . 5.980 4.492 4.344 4.721 . 0 0 "[ . 1 . 2]" 1
785 1 25 ILE MG 1 51 THR MG 5.830 . 5.830 3.534 3.364 3.722 . 0 0 "[ . 1 . 2]" 1
786 1 25 ILE MG 1 59 GLU HA 5.000 . 5.000 4.064 4.014 4.081 . 0 0 "[ . 1 . 2]" 1
787 1 25 ILE MG 1 59 GLU HB3 6.430 . 6.430 4.868 4.346 5.144 . 0 0 "[ . 1 . 2]" 1
788 1 25 ILE MG 1 59 GLU HB2 6.430 . 6.430 4.492 3.920 5.061 . 0 0 "[ . 1 . 2]" 1
789 1 25 ILE MG 1 59 GLU QB 6.470 . 6.470 4.116 3.761 4.313 . 0 0 "[ . 1 . 2]" 1
790 1 25 ILE MG 1 59 GLU HG3 4.990 . 4.990 2.644 2.214 3.420 . 0 0 "[ . 1 . 2]" 1
791 1 25 ILE MG 1 59 GLU HG2 4.990 . 4.990 2.998 2.377 3.813 . 0 0 "[ . 1 . 2]" 1
792 1 25 ILE MG 1 59 GLU QG 5.270 . 5.270 2.424 2.178 2.746 . 0 0 "[ . 1 . 2]" 1
793 1 25 ILE MG 1 60 GLY HA2 6.520 . 6.520 5.230 5.197 5.296 . 0 0 "[ . 1 . 2]" 1
794 1 25 ILE MG 1 60 GLY H 5.840 . 5.840 3.997 3.843 4.274 . 0 0 "[ . 1 . 2]" 1
795 1 25 ILE H 1 25 ILE HB 3.920 . 3.920 3.692 3.663 3.724 . 0 0 "[ . 1 . 2]" 1
796 1 25 ILE H 1 25 ILE MD 4.540 . 4.540 3.414 3.271 3.623 . 0 0 "[ . 1 . 2]" 1
797 1 25 ILE H 1 25 ILE QG 4.200 . 4.200 1.845 1.793 1.901 0.007 3 0 "[ . 1 . 2]" 1
798 1 25 ILE H 1 25 ILE MG 4.330 . 4.330 2.729 2.478 3.035 . 0 0 "[ . 1 . 2]" 1
799 1 25 ILE H 1 26 GLY H 3.210 . 3.210 2.214 1.982 2.356 . 0 0 "[ . 1 . 2]" 1
800 1 25 ILE H 1 49 ILE MG 5.350 . 5.350 3.592 3.342 3.843 . 0 0 "[ . 1 . 2]" 1
801 1 26 GLY HA3 1 27 CYS H 3.380 . 3.380 2.143 2.135 2.154 . 0 0 "[ . 1 . 2]" 1
802 1 26 GLY HA3 1 49 ILE MG 5.710 . 5.710 2.710 2.501 2.925 . 0 0 "[ . 1 . 2]" 1
803 1 26 GLY HA3 1 51 THR HA 3.820 . 3.820 2.434 2.212 2.577 . 0 0 "[ . 1 . 2]" 1
804 1 26 GLY HA3 1 51 THR MG 6.170 . 6.170 3.029 2.679 3.376 . 0 0 "[ . 1 . 2]" 1
805 1 26 GLY HA3 1 51 THR H 4.490 . 4.490 4.324 4.136 4.492 0.002 17 0 "[ . 1 . 2]" 1
806 1 26 GLY HA3 1 58 LEU QB 5.930 . 5.930 2.965 2.879 3.057 . 0 0 "[ . 1 . 2]" 1
807 1 26 GLY HA3 1 58 LEU MD1 6.520 . 6.520 3.703 3.637 3.880 . 0 0 "[ . 1 . 2]" 1
808 1 26 GLY HA3 1 58 LEU MD2 6.520 . 6.520 5.434 5.400 5.465 . 0 0 "[ . 1 . 2]" 1
809 1 26 GLY HA3 1 58 LEU QD 6.560 . 6.560 3.645 3.585 3.802 . 0 0 "[ . 1 . 2]" 1
810 1 26 GLY HA2 1 27 CYS H 3.520 . 3.520 3.221 3.162 3.255 . 0 0 "[ . 1 . 2]" 1
811 1 26 GLY HA2 1 49 ILE MG 5.500 . 5.500 3.991 3.877 4.128 . 0 0 "[ . 1 . 2]" 1
812 1 26 GLY HA2 1 51 THR HA 4.390 . 4.390 3.314 3.068 3.517 . 0 0 "[ . 1 . 2]" 1
813 1 26 GLY HA2 1 51 THR MG 5.720 . 5.720 4.351 4.054 4.596 . 0 0 "[ . 1 . 2]" 1
814 1 26 GLY HA2 1 58 LEU QB 5.670 . 5.670 2.485 2.351 2.580 . 0 0 "[ . 1 . 2]" 1
815 1 26 GLY HA2 1 58 LEU MD1 6.150 . 6.150 3.778 3.644 3.888 . 0 0 "[ . 1 . 2]" 1
816 1 26 GLY HA2 1 58 LEU MD2 6.150 . 6.150 4.701 4.629 4.808 . 0 0 "[ . 1 . 2]" 1
817 1 26 GLY HA2 1 58 LEU QD 6.270 . 6.270 3.630 3.520 3.730 . 0 0 "[ . 1 . 2]" 1
818 1 26 GLY H 1 27 CYS HA 4.640 . 4.640 4.462 4.422 4.526 . 0 0 "[ . 1 . 2]" 1
819 1 26 GLY H 1 27 CYS H 4.220 . 4.220 4.013 3.954 4.090 . 0 0 "[ . 1 . 2]" 1
820 1 26 GLY H 1 49 ILE HB 5.500 . 5.500 5.511 5.492 5.521 0.021 14 0 "[ . 1 . 2]" 1
821 1 26 GLY H 1 49 ILE MG 5.050 . 5.050 3.163 3.113 3.217 . 0 0 "[ . 1 . 2]" 1
822 1 26 GLY H 1 58 LEU QB 6.380 . 6.380 4.831 4.717 4.901 . 0 0 "[ . 1 . 2]" 1
823 1 26 GLY H 1 59 GLU HA 5.020 . 5.020 3.867 3.543 4.117 . 0 0 "[ . 1 . 2]" 1
824 1 27 CYS HA 1 28 THR H 3.050 . 3.050 2.155 2.146 2.163 . 0 0 "[ . 1 . 2]" 1
825 1 27 CYS HA 1 49 ILE MG 5.650 . 5.650 3.218 3.108 3.283 . 0 0 "[ . 1 . 2]" 1
826 1 27 CYS HB3 1 28 THR H 4.630 . 4.630 4.054 3.720 4.405 . 0 0 "[ . 1 . 2]" 1
827 1 27 CYS HB3 1 50 ILE HB 5.200 . 5.200 4.564 3.913 4.876 . 0 0 "[ . 1 . 2]" 1
828 1 27 CYS HB3 1 50 ILE MD 5.620 . 5.620 4.120 3.029 4.538 . 0 0 "[ . 1 . 2]" 1
829 1 27 CYS HB2 1 28 THR H 4.630 . 4.630 4.082 3.698 4.619 . 0 0 "[ . 1 . 2]" 1
830 1 27 CYS HB2 1 50 ILE HB 5.200 . 5.200 3.812 2.715 4.896 . 0 0 "[ . 1 . 2]" 1
831 1 27 CYS HB2 1 50 ILE MD 5.620 . 5.620 3.380 2.648 4.091 . 0 0 "[ . 1 . 2]" 1
832 1 27 CYS QB 1 28 THR H 4.870 . 4.870 3.562 3.484 3.723 . 0 0 "[ . 1 . 2]" 1
833 1 27 CYS QB 1 50 ILE HB 5.320 . 5.320 3.565 2.677 4.249 . 0 0 "[ . 1 . 2]" 1
834 1 27 CYS QB 1 50 ILE MD 5.920 . 5.920 3.206 2.608 3.808 . 0 0 "[ . 1 . 2]" 1
835 1 27 CYS QB 1 58 LEU QD 8.260 . 8.260 3.983 3.328 4.403 . 0 0 "[ . 1 . 2]" 1
836 1 27 CYS H 1 27 CYS HB3 4.190 . 4.190 3.625 3.319 3.915 . 0 0 "[ . 1 . 2]" 1
837 1 27 CYS H 1 27 CYS HB2 4.190 . 4.190 3.317 2.649 3.877 . 0 0 "[ . 1 . 2]" 1
838 1 27 CYS H 1 28 THR H 4.670 . 4.670 3.942 3.928 3.984 . 0 0 "[ . 1 . 2]" 1
839 1 27 CYS H 1 49 ILE HB 5.010 . 5.010 4.566 4.441 4.664 . 0 0 "[ . 1 . 2]" 1
840 1 27 CYS H 1 49 ILE MG 4.800 . 4.800 2.157 1.956 2.332 . 0 0 "[ . 1 . 2]" 1
841 1 27 CYS H 1 50 ILE HB 4.340 . 4.340 3.134 3.024 3.266 . 0 0 "[ . 1 . 2]" 1
842 1 27 CYS H 1 50 ILE MD 6.120 . 6.120 4.225 4.074 4.639 . 0 0 "[ . 1 . 2]" 1
843 1 27 CYS H 1 50 ILE MG 5.620 . 5.620 4.377 4.281 4.520 . 0 0 "[ . 1 . 2]" 1
844 1 27 CYS H 1 50 ILE H 3.900 . 3.900 2.709 2.583 2.830 . 0 0 "[ . 1 . 2]" 1
845 1 27 CYS H 1 51 THR HA 4.110 . 4.110 4.080 3.890 4.154 0.044 8 0 "[ . 1 . 2]" 1
846 1 27 CYS H 1 51 THR MG 5.530 . 5.530 4.037 3.687 4.374 . 0 0 "[ . 1 . 2]" 1
847 1 27 CYS H 1 58 LEU QB 6.280 . 6.280 4.038 3.956 4.108 . 0 0 "[ . 1 . 2]" 1
848 1 27 CYS H 1 58 LEU QD 6.360 . 6.360 3.745 3.683 3.863 . 0 0 "[ . 1 . 2]" 1
849 1 28 THR HA 1 29 ILE H 3.280 . 3.280 2.171 2.146 2.200 . 0 0 "[ . 1 . 2]" 1
850 1 28 THR HA 1 49 ILE HA 3.350 . 3.350 1.983 1.891 2.055 . 0 0 "[ . 1 . 2]" 1
851 1 28 THR HA 1 49 ILE HB 4.720 . 4.720 4.305 4.187 4.422 . 0 0 "[ . 1 . 2]" 1
852 1 28 THR HA 1 49 ILE MD 5.250 . 5.250 4.221 4.021 4.445 . 0 0 "[ . 1 . 2]" 1
853 1 28 THR HA 1 49 ILE HG12 3.930 . 3.930 2.985 2.413 3.427 . 0 0 "[ . 1 . 2]" 1
854 1 28 THR HA 1 49 ILE MG 4.690 . 4.690 2.521 2.372 2.692 . 0 0 "[ . 1 . 2]" 1
855 1 28 THR HA 1 50 ILE H 3.710 . 3.710 3.654 3.541 3.732 0.022 4 0 "[ . 1 . 2]" 1
856 1 28 THR HB 1 29 ILE H 4.420 . 4.420 4.193 4.080 4.308 . 0 0 "[ . 1 . 2]" 1
857 1 28 THR HB 1 30 ALA MB 6.250 . 6.250 4.904 4.709 5.045 . 0 0 "[ . 1 . 2]" 1
858 1 28 THR HB 1 49 ILE HA 5.190 . 5.190 4.896 4.784 5.006 . 0 0 "[ . 1 . 2]" 1
859 1 28 THR HB 1 49 ILE HG12 4.550 . 4.550 4.089 3.887 4.399 . 0 0 "[ . 1 . 2]" 1
860 1 28 THR HB 1 49 ILE MG 5.870 . 5.870 3.792 3.639 4.006 . 0 0 "[ . 1 . 2]" 1
861 1 28 THR HB 1 94 LEU QD 7.340 . 7.340 3.797 3.102 4.923 . 0 0 "[ . 1 . 2]" 1
862 1 28 THR MG 1 29 ILE HA 5.530 . 5.530 4.153 4.034 4.322 . 0 0 "[ . 1 . 2]" 1
863 1 28 THR MG 1 29 ILE HB 5.310 . 5.310 4.005 3.790 4.183 . 0 0 "[ . 1 . 2]" 1
864 1 28 THR MG 1 30 ALA HA 4.700 . 4.700 3.650 3.518 3.768 . 0 0 "[ . 1 . 2]" 1
865 1 28 THR MG 1 47 GLY HA3 5.810 . 5.810 4.801 4.636 4.872 . 0 0 "[ . 1 . 2]" 1
866 1 28 THR MG 1 47 GLY HA2 4.590 . 4.590 3.416 3.324 3.494 . 0 0 "[ . 1 . 2]" 1
867 1 28 THR MG 1 47 GLY H 5.270 . 5.270 3.964 3.553 4.195 . 0 0 "[ . 1 . 2]" 1
868 1 28 THR MG 1 49 ILE HA 5.030 . 5.030 3.847 3.675 3.933 . 0 0 "[ . 1 . 2]" 1
869 1 28 THR MG 1 49 ILE MD 6.070 . 6.070 3.620 3.414 3.906 . 0 0 "[ . 1 . 2]" 1
870 1 28 THR MG 1 49 ILE HG13 5.120 . 5.120 2.998 2.521 3.646 . 0 0 "[ . 1 . 2]" 1
871 1 28 THR MG 1 49 ILE HG12 4.700 . 4.700 3.005 2.515 3.463 . 0 0 "[ . 1 . 2]" 1
872 1 28 THR MG 1 49 ILE MG 5.860 . 5.860 3.718 3.565 3.856 . 0 0 "[ . 1 . 2]" 1
873 1 28 THR MG 1 94 LEU QB 6.360 . 6.360 4.556 4.234 4.661 . 0 0 "[ . 1 . 2]" 1
874 1 28 THR H 1 28 THR HB 3.160 . 3.160 2.473 2.397 2.513 . 0 0 "[ . 1 . 2]" 1
875 1 28 THR H 1 49 ILE HB 5.500 . 5.500 5.520 5.478 5.541 0.041 6 0 "[ . 1 . 2]" 1
876 1 28 THR H 1 49 ILE MD 6.520 . 6.520 5.263 4.662 5.491 . 0 0 "[ . 1 . 2]" 1
877 1 28 THR H 1 49 ILE HG12 5.090 . 5.090 4.105 3.976 4.232 . 0 0 "[ . 1 . 2]" 1
878 1 29 ILE HA 1 29 ILE HG13 4.090 . 4.090 2.917 2.745 3.121 . 0 0 "[ . 1 . 2]" 1
879 1 29 ILE HA 1 29 ILE HG12 4.090 . 4.090 2.736 2.613 2.927 . 0 0 "[ . 1 . 2]" 1
880 1 29 ILE HA 1 30 ALA MB 5.280 . 5.280 3.992 3.961 4.046 . 0 0 "[ . 1 . 2]" 1
881 1 29 ILE HA 1 30 ALA H 3.300 . 3.300 2.166 2.160 2.176 . 0 0 "[ . 1 . 2]" 1
882 1 29 ILE HA 1 31 ASP H 3.980 . 3.980 3.489 3.408 3.589 . 0 0 "[ . 1 . 2]" 1
883 1 29 ILE HB 1 30 ALA H 5.210 . 5.210 4.362 4.333 4.403 . 0 0 "[ . 1 . 2]" 1
884 1 29 ILE HB 1 31 ASP H 5.090 . 5.090 4.441 4.199 4.697 . 0 0 "[ . 1 . 2]" 1
885 1 29 ILE HB 1 46 ARG HA 4.200 . 4.200 3.144 2.818 3.441 . 0 0 "[ . 1 . 2]" 1
886 1 29 ILE HB 1 47 GLY H 4.140 . 4.140 2.622 2.291 3.074 . 0 0 "[ . 1 . 2]" 1
887 1 29 ILE HB 1 48 ASP H 3.630 . 3.630 2.770 2.448 3.248 . 0 0 "[ . 1 . 2]" 1
888 1 29 ILE MD 1 32 LEU QB 6.750 . 6.750 4.342 3.862 4.564 . 0 0 "[ . 1 . 2]" 1
889 1 29 ILE MD 1 44 LEU HA 5.430 . 5.430 3.434 3.086 3.610 . 0 0 "[ . 1 . 2]" 1
890 1 29 ILE MD 1 44 LEU HB3 5.530 . 5.530 2.273 2.013 2.615 . 0 0 "[ . 1 . 2]" 1
891 1 29 ILE MD 1 44 LEU HB2 5.540 . 5.540 3.728 3.451 4.061 . 0 0 "[ . 1 . 2]" 1
892 1 29 ILE MD 1 44 LEU MD1 5.040 . 5.040 2.376 1.710 2.914 0.090 16 0 "[ . 1 . 2]" 1
893 1 29 ILE MD 1 44 LEU MD2 5.040 . 5.040 2.467 1.945 3.363 . 0 0 "[ . 1 . 2]" 1
894 1 29 ILE MD 1 44 LEU QD 5.740 . 5.740 2.084 1.705 2.377 0.095 16 0 "[ . 1 . 2]" 1
895 1 29 ILE MD 1 44 LEU HG 5.440 . 5.440 4.240 3.852 4.451 . 0 0 "[ . 1 . 2]" 1
896 1 29 ILE MD 1 46 ARG HA 5.560 . 5.560 3.931 3.427 4.487 . 0 0 "[ . 1 . 2]" 1
897 1 29 ILE MD 1 47 GLY H 5.560 . 5.560 3.622 3.116 4.195 . 0 0 "[ . 1 . 2]" 1
898 1 29 ILE MD 1 48 ASP HA 5.620 . 5.620 4.223 3.936 4.543 . 0 0 "[ . 1 . 2]" 1
899 1 29 ILE MD 1 48 ASP HB3 5.060 . 5.060 2.682 2.205 3.435 . 0 0 "[ . 1 . 2]" 1
900 1 29 ILE MD 1 48 ASP HB2 5.060 . 5.060 2.037 1.836 2.350 . 0 0 "[ . 1 . 2]" 1
901 1 29 ILE MD 1 48 ASP QB 5.430 . 5.430 1.957 1.809 2.268 . 0 0 "[ . 1 . 2]" 1
902 1 29 ILE MD 1 48 ASP H 4.610 . 4.610 2.993 2.568 3.477 . 0 0 "[ . 1 . 2]" 1
903 1 29 ILE MD 1 81 VAL MG1 6.100 . 6.100 2.251 1.921 2.558 . 0 0 "[ . 1 . 2]" 1
904 1 29 ILE MD 1 81 VAL MG2 6.100 . 6.100 3.782 3.241 4.020 . 0 0 "[ . 1 . 2]" 1
905 1 29 ILE MD 1 81 VAL QG 6.190 . 6.190 2.234 1.914 2.530 . 0 0 "[ . 1 . 2]" 1
906 1 29 ILE QG 1 30 ALA H 5.630 . 5.630 4.364 4.303 4.400 . 0 0 "[ . 1 . 2]" 1
907 1 29 ILE QG 1 31 ASP H 6.220 . 6.220 4.895 4.811 5.156 . 0 0 "[ . 1 . 2]" 1
908 1 29 ILE QG 1 44 LEU QD 7.400 . 7.400 3.190 2.690 3.435 . 0 0 "[ . 1 . 2]" 1
909 1 29 ILE MG 1 30 ALA HA 5.440 . 5.440 4.296 4.214 4.388 . 0 0 "[ . 1 . 2]" 1
910 1 29 ILE MG 1 31 ASP HA 5.390 . 5.390 3.466 3.168 3.636 . 0 0 "[ . 1 . 2]" 1
911 1 29 ILE MG 1 31 ASP H 4.930 . 4.930 2.192 2.014 2.382 . 0 0 "[ . 1 . 2]" 1
912 1 29 ILE MG 1 32 LEU HA 5.890 . 5.890 3.708 3.499 4.132 . 0 0 "[ . 1 . 2]" 1
913 1 29 ILE MG 1 32 LEU QB 5.520 . 5.520 2.823 2.370 3.244 . 0 0 "[ . 1 . 2]" 1
914 1 29 ILE MG 1 32 LEU QD 6.020 . 6.020 1.965 1.660 3.023 0.140 6 0 "[ . 1 . 2]" 1
915 1 29 ILE MG 1 32 LEU HG 5.340 . 5.340 3.071 2.460 3.643 . 0 0 "[ . 1 . 2]" 1
916 1 29 ILE MG 1 32 LEU H 6.100 . 6.100 4.163 4.022 4.394 . 0 0 "[ . 1 . 2]" 1
917 1 29 ILE MG 1 44 LEU HB3 5.480 . 5.480 3.745 3.160 4.135 . 0 0 "[ . 1 . 2]" 1
918 1 29 ILE MG 1 44 LEU QD 7.040 . 7.040 3.570 2.961 3.841 . 0 0 "[ . 1 . 2]" 1
919 1 29 ILE MG 1 45 GLN H 5.890 . 5.890 4.275 3.583 4.631 . 0 0 "[ . 1 . 2]" 1
920 1 29 ILE MG 1 46 ARG HA 4.500 . 4.500 2.879 2.403 3.337 . 0 0 "[ . 1 . 2]" 1
921 1 29 ILE MG 1 46 ARG HG3 5.940 . 5.940 3.808 3.227 4.551 . 0 0 "[ . 1 . 2]" 1
922 1 29 ILE MG 1 46 ARG HG2 5.030 . 5.030 3.596 2.895 4.039 . 0 0 "[ . 1 . 2]" 1
923 1 29 ILE MG 1 47 GLY H 4.940 . 4.940 3.663 3.304 4.043 . 0 0 "[ . 1 . 2]" 1
924 1 29 ILE MG 1 48 ASP H 5.530 . 5.530 4.258 3.979 4.553 . 0 0 "[ . 1 . 2]" 1
925 1 29 ILE H 1 29 ILE HB 3.580 . 3.580 2.594 2.528 2.638 . 0 0 "[ . 1 . 2]" 1
926 1 29 ILE H 1 29 ILE HG13 3.780 . 3.780 2.031 1.927 2.167 . 0 0 "[ . 1 . 2]" 1
927 1 29 ILE H 1 29 ILE HG12 3.780 . 3.780 3.457 3.224 3.608 . 0 0 "[ . 1 . 2]" 1
928 1 29 ILE H 1 29 ILE QG 4.020 . 4.020 2.017 1.913 2.150 . 0 0 "[ . 1 . 2]" 1
929 1 29 ILE H 1 46 ARG HA 5.500 . 5.500 5.424 5.160 5.524 0.024 7 0 "[ . 1 . 2]" 1
930 1 29 ILE H 1 47 GLY H 4.750 . 4.750 4.063 3.783 4.340 . 0 0 "[ . 1 . 2]" 1
931 1 29 ILE H 1 48 ASP QB 5.690 . 5.690 4.021 3.642 4.217 . 0 0 "[ . 1 . 2]" 1
932 1 29 ILE H 1 48 ASP H 4.320 . 4.320 3.206 2.719 4.128 . 0 0 "[ . 1 . 2]" 1
933 1 29 ILE H 1 49 ILE HA 4.140 . 4.140 3.125 2.853 3.367 . 0 0 "[ . 1 . 2]" 1
934 1 29 ILE H 1 49 ILE MG 5.830 . 5.830 4.345 4.122 4.532 . 0 0 "[ . 1 . 2]" 1
935 1 29 ILE H 1 50 ILE H 4.660 . 4.660 4.333 4.005 4.668 0.008 4 0 "[ . 1 . 2]" 1
936 1 30 ALA HA 1 46 ARG HG2 5.470 . 5.470 5.097 4.314 5.472 0.002 3 0 "[ . 1 . 2]" 1
937 1 30 ALA HA 1 94 LEU MD1 5.040 . 5.040 3.031 1.852 4.189 . 0 0 "[ . 1 . 2]" 1
938 1 30 ALA HA 1 94 LEU MD2 5.040 . 5.040 2.821 1.842 4.280 . 0 0 "[ . 1 . 2]" 1
939 1 30 ALA HA 1 94 LEU QD 5.590 . 5.590 2.321 1.835 3.208 . 0 0 "[ . 1 . 2]" 1
940 1 30 ALA MB 1 31 ASP QB 5.530 . 5.530 3.255 3.084 3.476 . 0 0 "[ . 1 . 2]" 1
941 1 30 ALA MB 1 31 ASP H 4.350 . 4.350 2.880 2.738 2.966 . 0 0 "[ . 1 . 2]" 1
942 1 30 ALA MB 1 94 LEU HA 6.520 . 6.520 4.917 2.380 5.321 . 0 0 "[ . 1 . 2]" 1
943 1 30 ALA MB 1 94 LEU HB3 5.370 . 5.370 2.883 2.161 3.323 . 0 0 "[ . 1 . 2]" 1
944 1 30 ALA MB 1 94 LEU HB2 5.370 . 5.370 3.528 2.929 4.363 . 0 0 "[ . 1 . 2]" 1
945 1 30 ALA MB 1 94 LEU QB 5.680 . 5.680 2.735 2.118 3.224 . 0 0 "[ . 1 . 2]" 1
946 1 30 ALA MB 1 94 LEU MD1 6.310 . 6.310 3.299 1.850 4.262 . 0 0 "[ . 1 . 2]" 1
947 1 30 ALA MB 1 94 LEU MD2 6.310 . 6.310 2.998 1.904 4.319 . 0 0 "[ . 1 . 2]" 1
948 1 30 ALA MB 1 94 LEU QD 6.510 . 6.510 2.332 1.848 3.466 . 0 0 "[ . 1 . 2]" 1
949 1 30 ALA MB 1 94 LEU HG 5.680 . 5.680 3.802 2.469 4.619 . 0 0 "[ . 1 . 2]" 1
950 1 30 ALA H 1 31 ASP QB 6.220 . 6.220 4.728 4.602 4.827 . 0 0 "[ . 1 . 2]" 1
951 1 30 ALA H 1 31 ASP H 3.380 . 3.380 2.518 2.455 2.574 . 0 0 "[ . 1 . 2]" 1
952 1 31 ASP HA 1 32 LEU QD 7.540 . 7.540 4.054 2.611 4.594 . 0 0 "[ . 1 . 2]" 1
953 1 31 ASP HA 1 32 LEU H 2.930 . 2.930 2.470 2.397 2.561 . 0 0 "[ . 1 . 2]" 1
954 1 31 ASP HA 1 46 ARG HA 4.720 . 4.720 4.219 3.732 4.568 . 0 0 "[ . 1 . 2]" 1
955 1 31 ASP HA 1 46 ARG HB2 5.500 . 5.500 5.117 4.759 5.363 . 0 0 "[ . 1 . 2]" 1
956 1 31 ASP HA 1 46 ARG QD 4.620 . 4.620 2.933 2.026 3.789 . 0 0 "[ . 1 . 2]" 1
957 1 31 ASP HA 1 46 ARG HG3 4.020 . 4.020 3.222 2.734 3.932 . 0 0 "[ . 1 . 2]" 1
958 1 31 ASP HA 1 46 ARG HG2 3.760 . 3.760 2.299 1.983 2.681 . 0 0 "[ . 1 . 2]" 1
959 1 31 ASP HB3 1 32 LEU H 4.270 . 4.270 2.331 1.968 2.549 . 0 0 "[ . 1 . 2]" 1
960 1 31 ASP HB2 1 32 LEU H 4.270 . 4.270 3.756 3.476 3.920 . 0 0 "[ . 1 . 2]" 1
961 1 31 ASP QB 1 32 LEU H 4.540 . 4.540 2.309 1.958 2.518 . 0 0 "[ . 1 . 2]" 1
962 1 31 ASP H 1 31 ASP HB3 3.900 . 3.900 3.774 3.648 3.898 . 0 0 "[ . 1 . 2]" 1
963 1 31 ASP H 1 31 ASP HB2 3.900 . 3.900 2.909 2.828 3.005 . 0 0 "[ . 1 . 2]" 1
964 1 31 ASP H 1 32 LEU QD 6.520 . 6.520 4.411 4.243 4.616 . 0 0 "[ . 1 . 2]" 1
965 1 31 ASP H 1 32 LEU H 4.460 . 4.460 4.363 4.336 4.387 . 0 0 "[ . 1 . 2]" 1
966 1 32 LEU HA 1 33 ILE QG 5.550 . 5.550 3.591 3.514 3.934 . 0 0 "[ . 1 . 2]" 1
967 1 32 LEU HA 1 33 ILE MG 5.590 . 5.590 3.958 3.717 4.031 . 0 0 "[ . 1 . 2]" 1
968 1 32 LEU HA 1 33 ILE H 3.520 . 3.520 2.142 2.105 2.191 . 0 0 "[ . 1 . 2]" 1
969 1 32 LEU QB 1 33 ILE MG 7.350 . 7.350 4.867 4.748 4.919 . 0 0 "[ . 1 . 2]" 1
970 1 32 LEU QB 1 33 ILE H 4.620 . 4.620 3.392 2.989 3.561 . 0 0 "[ . 1 . 2]" 1
971 1 32 LEU QB 1 34 GLN QG 6.480 . 6.480 3.512 3.142 5.062 . 0 0 "[ . 1 . 2]" 1
972 1 32 LEU QB 1 40 ILE MG 6.750 . 6.750 4.108 2.745 4.844 . 0 0 "[ . 1 . 2]" 1
973 1 32 LEU QB 1 44 LEU QD 8.090 . 8.090 4.822 3.547 5.282 . 0 0 "[ . 1 . 2]" 1
974 1 32 LEU QD 1 33 ILE HA 7.280 . 7.280 4.333 3.280 4.650 . 0 0 "[ . 1 . 2]" 1
975 1 32 LEU QD 1 33 ILE H 6.560 . 6.560 3.331 2.842 4.051 . 0 0 "[ . 1 . 2]" 1
976 1 32 LEU QD 1 34 GLN HA 6.210 . 6.210 3.683 3.319 4.603 . 0 0 "[ . 1 . 2]" 1
977 1 32 LEU QD 1 34 GLN QE 6.750 . 6.750 3.635 2.684 4.374 . 0 0 "[ . 1 . 2]" 1
978 1 32 LEU QD 1 34 GLN QG 6.070 . 6.070 2.902 2.360 3.083 . 0 0 "[ . 1 . 2]" 1
979 1 32 LEU QD 1 34 GLN H 6.620 . 6.620 4.050 3.255 4.292 . 0 0 "[ . 1 . 2]" 1
980 1 32 LEU QD 1 40 ILE HA 7.540 . 7.540 4.448 4.102 5.291 . 0 0 "[ . 1 . 2]" 1
981 1 32 LEU QD 1 40 ILE MG 6.310 . 6.310 2.198 1.775 3.210 0.025 20 0 "[ . 1 . 2]" 1
982 1 32 LEU QD 1 41 ASP HA 6.270 . 6.270 3.352 2.872 4.008 . 0 0 "[ . 1 . 2]" 1
983 1 32 LEU QD 1 44 LEU HB3 5.910 . 5.910 2.488 2.028 4.338 . 0 0 "[ . 1 . 2]" 1
984 1 32 LEU QD 1 44 LEU HB2 5.870 . 5.870 2.628 2.261 3.965 . 0 0 "[ . 1 . 2]" 1
985 1 32 LEU QD 1 44 LEU HG 7.540 . 7.540 4.339 3.792 5.580 . 0 0 "[ . 1 . 2]" 1
986 1 32 LEU QD 1 45 GLN HA 5.500 . 5.500 2.351 1.838 2.727 . 0 0 "[ . 1 . 2]" 1
987 1 32 LEU QD 1 45 GLN QG 7.810 . 7.810 3.583 3.118 3.881 . 0 0 "[ . 1 . 2]" 1
988 1 32 LEU QD 1 45 GLN H 7.380 . 7.380 3.002 2.636 4.436 . 0 0 "[ . 1 . 2]" 1
989 1 32 LEU QD 1 46 ARG HA 6.770 . 6.770 3.180 2.612 3.734 . 0 0 "[ . 1 . 2]" 1
990 1 32 LEU QD 1 46 ARG HB2 6.910 . 6.910 4.352 3.417 4.951 . 0 0 "[ . 1 . 2]" 1
991 1 32 LEU QD 1 46 ARG QD 7.840 . 7.840 4.220 2.211 5.067 . 0 0 "[ . 1 . 2]" 1
992 1 32 LEU QD 1 46 ARG HG3 6.150 . 6.150 2.999 1.852 3.816 . 0 0 "[ . 1 . 2]" 1
993 1 32 LEU QD 1 46 ARG HG2 6.900 . 6.900 3.716 2.498 4.553 . 0 0 "[ . 1 . 2]" 1
994 1 32 LEU QD 1 46 ARG H 5.550 . 5.550 3.292 2.353 3.924 . 0 0 "[ . 1 . 2]" 1
995 1 32 LEU HG 1 34 GLN QG 5.890 . 5.890 5.311 4.853 5.368 . 0 0 "[ . 1 . 2]" 1
996 1 32 LEU HG 1 44 LEU QD 6.630 . 6.630 4.416 3.968 4.741 . 0 0 "[ . 1 . 2]" 1
997 1 32 LEU H 1 32 LEU HG 4.310 . 4.310 4.231 3.022 4.471 0.161 20 0 "[ . 1 . 2]" 1
998 1 32 LEU H 1 46 ARG QD 5.090 . 5.090 3.442 2.612 4.327 . 0 0 "[ . 1 . 2]" 1
999 1 32 LEU H 1 46 ARG HG3 4.750 . 4.750 3.412 2.845 4.727 . 0 0 "[ . 1 . 2]" 1
1000 1 32 LEU H 1 46 ARG HG2 4.750 . 4.750 3.655 3.174 4.695 . 0 0 "[ . 1 . 2]" 1
1001 1 33 ILE HA 1 34 GLN QG 5.820 . 5.820 3.861 3.653 3.990 . 0 0 "[ . 1 . 2]" 1
1002 1 33 ILE HA 1 34 GLN H 2.760 . 2.760 2.168 2.120 2.211 . 0 0 "[ . 1 . 2]" 1
1003 1 33 ILE MD 1 34 GLN H 6.520 . 6.520 5.440 4.948 5.492 . 0 0 "[ . 1 . 2]" 1
1004 1 33 ILE MD 1 36 GLN QB 6.190 . 6.190 3.268 2.849 3.500 . 0 0 "[ . 1 . 2]" 1
1005 1 33 ILE MD 1 36 GLN HG3 5.620 . 5.620 3.150 2.238 3.982 . 0 0 "[ . 1 . 2]" 1
1006 1 33 ILE MD 1 36 GLN HG2 5.620 . 5.620 2.261 1.913 3.008 . 0 0 "[ . 1 . 2]" 1
1007 1 33 ILE MD 1 36 GLN QG 5.910 . 5.910 2.156 1.896 2.924 . 0 0 "[ . 1 . 2]" 1
1008 1 33 ILE HG13 1 34 GLN H 5.500 . 5.500 4.704 4.053 4.823 . 0 0 "[ . 1 . 2]" 1
1009 1 33 ILE HG12 1 34 GLN H 5.500 . 5.500 5.031 4.560 5.112 . 0 0 "[ . 1 . 2]" 1
1010 1 33 ILE QG 1 34 GLN H 5.640 . 5.640 4.319 3.791 4.407 . 0 0 "[ . 1 . 2]" 1
1011 1 33 ILE QG 1 36 GLN QG 6.530 . 6.530 2.118 1.715 2.975 0.085 16 0 "[ . 1 . 2]" 1
1012 1 33 ILE MG 1 34 GLN QG 7.400 . 7.400 5.302 5.081 5.385 . 0 0 "[ . 1 . 2]" 1
1013 1 33 ILE MG 1 34 GLN H 5.210 . 5.210 4.050 3.869 4.130 . 0 0 "[ . 1 . 2]" 1
1014 1 33 ILE MG 1 36 GLN QB 6.540 . 6.540 4.853 4.814 4.881 . 0 0 "[ . 1 . 2]" 1
1015 1 33 ILE MG 1 36 GLN HG3 6.520 . 6.520 5.309 4.801 5.447 . 0 0 "[ . 1 . 2]" 1
1016 1 33 ILE MG 1 36 GLN HG2 6.520 . 6.520 4.348 4.119 5.093 . 0 0 "[ . 1 . 2]" 1
1017 1 33 ILE MG 1 36 GLN QG 6.580 . 6.580 4.144 3.999 4.640 . 0 0 "[ . 1 . 2]" 1
1018 1 33 ILE H 1 33 ILE HB 4.010 . 4.010 3.656 3.635 3.685 . 0 0 "[ . 1 . 2]" 1
1019 1 33 ILE H 1 33 ILE HG13 4.320 . 4.320 3.013 2.801 3.507 . 0 0 "[ . 1 . 2]" 1
1020 1 33 ILE H 1 33 ILE HG12 4.320 . 4.320 1.828 1.776 1.991 0.024 1 0 "[ . 1 . 2]" 1
1021 1 33 ILE H 1 34 GLN H 4.480 . 4.480 4.180 4.103 4.530 0.050 16 0 "[ . 1 . 2]" 1
1022 1 34 GLN HA 1 34 GLN QG 3.910 . 3.910 2.421 2.349 2.516 . 0 0 "[ . 1 . 2]" 1
1023 1 34 GLN HA 1 35 GLY H 3.270 . 3.270 2.323 2.135 2.554 . 0 0 "[ . 1 . 2]" 1
1024 1 34 GLN QB 1 35 GLY H 4.860 . 4.860 2.610 2.156 3.161 . 0 0 "[ . 1 . 2]" 1
1025 1 34 GLN QE 1 41 ASP HA 5.430 . 5.430 4.069 3.039 4.677 . 0 0 "[ . 1 . 2]" 1
1026 1 34 GLN QG 1 35 GLY H 5.890 . 5.890 3.948 3.646 4.156 . 0 0 "[ . 1 . 2]" 1
1027 1 34 GLN QG 1 40 ILE MG 7.120 . 7.120 5.035 4.710 5.171 . 0 0 "[ . 1 . 2]" 1
1028 1 34 GLN QG 1 41 ASP HA 5.400 . 5.400 3.308 2.985 3.701 . 0 0 "[ . 1 . 2]" 1
1029 1 34 GLN H 1 34 GLN QE 6.200 . 6.200 4.754 4.292 5.143 . 0 0 "[ . 1 . 2]" 1
1030 1 34 GLN H 1 34 GLN QG 4.120 . 4.120 2.205 1.938 2.727 . 0 0 "[ . 1 . 2]" 1
1031 1 34 GLN H 1 35 GLY H 4.770 . 4.770 4.608 4.518 4.632 . 0 0 "[ . 1 . 2]" 1
1032 1 35 GLY H 1 36 GLN QB 6.050 . 6.050 4.433 4.147 5.241 . 0 0 "[ . 1 . 2]" 1
1033 1 35 GLY H 1 36 GLN H 3.840 . 3.840 2.600 1.981 3.414 . 0 0 "[ . 1 . 2]" 1
1034 1 35 GLY H 1 37 TYR H 4.910 . 4.910 3.646 3.381 4.584 . 0 0 "[ . 1 . 2]" 1
1035 1 36 GLN HB3 1 37 TYR H 4.310 . 4.310 3.201 2.321 4.318 0.008 4 0 "[ . 1 . 2]" 1
1036 1 36 GLN HB2 1 37 TYR H 4.310 . 4.310 2.913 2.458 3.844 . 0 0 "[ . 1 . 2]" 1
1037 1 36 GLN QB 1 37 TYR H 4.610 . 4.610 2.683 2.123 3.594 . 0 0 "[ . 1 . 2]" 1
1038 1 36 GLN H 1 36 GLN HB3 3.890 . 3.890 3.401 3.151 3.476 . 0 0 "[ . 1 . 2]" 1
1039 1 36 GLN H 1 36 GLN HB2 3.890 . 3.890 2.385 2.076 3.663 . 0 0 "[ . 1 . 2]" 1
1040 1 36 GLN H 1 37 TYR H 3.650 . 3.650 2.491 1.892 3.262 . 0 0 "[ . 1 . 2]" 1
1041 1 37 TYR HA 1 38 PRO HB3 4.900 . 4.900 4.881 4.843 4.913 0.013 16 0 "[ . 1 . 2]" 1
1042 1 37 TYR HA 1 38 PRO HB2 5.500 . 5.500 5.538 5.516 5.555 0.055 16 0 "[ . 1 . 2]" 1
1043 1 37 TYR HA 1 38 PRO HD3 3.690 . 3.690 2.318 2.259 2.376 . 0 0 "[ . 1 . 2]" 1
1044 1 37 TYR HA 1 38 PRO HD2 3.690 . 3.690 2.239 2.111 2.296 . 0 0 "[ . 1 . 2]" 1
1045 1 37 TYR HA 1 38 PRO HG3 4.660 . 4.660 4.425 4.403 4.467 . 0 0 "[ . 1 . 2]" 1
1046 1 37 TYR HA 1 38 PRO HG2 4.660 . 4.660 4.389 4.291 4.429 . 0 0 "[ . 1 . 2]" 1
1047 1 37 TYR HA 1 38 PRO QG 4.990 . 4.990 3.926 3.873 3.954 . 0 0 "[ . 1 . 2]" 1
1048 1 37 TYR HA 1 39 GLU H 4.440 . 4.440 4.401 4.164 4.455 0.015 18 0 "[ . 1 . 2]" 1
1049 1 37 TYR HA 1 40 ILE MD 6.020 . 6.020 4.729 4.552 4.901 . 0 0 "[ . 1 . 2]" 1
1050 1 37 TYR HB3 1 40 ILE MD 5.190 . 5.190 3.069 2.912 3.290 . 0 0 "[ . 1 . 2]" 1
1051 1 37 TYR HB3 1 40 ILE H 4.420 . 4.420 2.486 2.438 2.542 . 0 0 "[ . 1 . 2]" 1
1052 1 37 TYR HB2 1 40 ILE MD 5.190 . 5.190 2.166 1.920 2.414 . 0 0 "[ . 1 . 2]" 1
1053 1 37 TYR HB2 1 40 ILE H 4.420 . 4.420 3.580 3.388 3.713 . 0 0 "[ . 1 . 2]" 1
1054 1 37 TYR QB 1 39 GLU H 4.970 . 4.970 3.229 3.052 3.329 . 0 0 "[ . 1 . 2]" 1
1055 1 37 TYR QB 1 40 ILE MD 5.550 . 5.550 2.123 1.895 2.349 . 0 0 "[ . 1 . 2]" 1
1056 1 37 TYR QB 1 40 ILE MG 6.360 . 6.360 3.565 3.405 3.686 . 0 0 "[ . 1 . 2]" 1
1057 1 37 TYR QB 1 40 ILE H 4.770 . 4.770 2.442 2.398 2.492 . 0 0 "[ . 1 . 2]" 1
1058 1 37 TYR H 1 38 PRO QD 6.000 . 6.000 4.271 4.209 4.311 . 0 0 "[ . 1 . 2]" 1
1059 1 37 TYR H 1 40 ILE MD 6.520 . 6.520 4.144 3.581 4.695 . 0 0 "[ . 1 . 2]" 1
1060 1 37 TYR H 1 40 ILE H 5.500 . 5.500 5.092 4.931 5.218 . 0 0 "[ . 1 . 2]" 1
1061 1 37 TYR H 1 41 ASP H 5.140 . 5.140 4.137 3.886 4.568 . 0 0 "[ . 1 . 2]" 1
1062 1 38 PRO HA 1 40 ILE H 5.240 . 5.240 4.813 4.636 5.000 . 0 0 "[ . 1 . 2]" 1
1063 1 38 PRO HA 1 41 ASP HB3 4.280 . 4.280 3.556 3.038 4.296 0.016 17 0 "[ . 1 . 2]" 1
1064 1 38 PRO HA 1 41 ASP HB2 4.280 . 4.280 3.495 2.705 4.059 . 0 0 "[ . 1 . 2]" 1
1065 1 38 PRO HA 1 41 ASP QB 4.480 . 4.480 2.924 2.673 3.135 . 0 0 "[ . 1 . 2]" 1
1066 1 38 PRO HA 1 41 ASP H 3.910 . 3.910 3.842 3.534 3.933 0.023 19 0 "[ . 1 . 2]" 1
1067 1 38 PRO HB2 1 39 GLU H 4.100 . 4.100 2.928 2.855 3.060 . 0 0 "[ . 1 . 2]" 1
1068 1 38 PRO HB2 1 42 SER H 5.410 . 5.410 5.337 5.095 5.414 0.004 16 0 "[ . 1 . 2]" 1
1069 1 38 PRO HD3 1 39 GLU H 4.340 . 4.340 3.931 3.871 3.972 . 0 0 "[ . 1 . 2]" 1
1070 1 38 PRO HD2 1 39 GLU H 4.340 . 4.340 2.824 2.712 2.907 . 0 0 "[ . 1 . 2]" 1
1071 1 38 PRO QD 1 39 GLU QG 6.900 . 6.900 4.457 3.776 5.191 . 0 0 "[ . 1 . 2]" 1
1072 1 38 PRO QD 1 39 GLU H 4.610 . 4.610 2.764 2.662 2.838 . 0 0 "[ . 1 . 2]" 1
1073 1 38 PRO QG 1 39 GLU H 4.890 . 4.890 2.003 1.962 2.101 . 0 0 "[ . 1 . 2]" 1
1074 1 39 GLU HA 1 39 GLU HG3 3.900 . 3.900 3.283 2.193 3.821 . 0 0 "[ . 1 . 2]" 1
1075 1 39 GLU HA 1 39 GLU HG2 3.900 . 3.900 2.916 2.353 3.656 . 0 0 "[ . 1 . 2]" 1
1076 1 39 GLU HA 1 42 SER HB3 4.020 . 4.020 4.039 4.035 4.049 0.029 7 0 "[ . 1 . 2]" 1
1077 1 39 GLU HA 1 42 SER HB2 4.020 . 4.020 2.732 2.638 3.083 . 0 0 "[ . 1 . 2]" 1
1078 1 39 GLU HA 1 42 SER QB 4.170 . 4.170 2.690 2.605 2.992 . 0 0 "[ . 1 . 2]" 1
1079 1 39 GLU HA 1 42 SER H 3.490 . 3.490 3.434 3.354 3.506 0.016 14 0 "[ . 1 . 2]" 1
1080 1 39 GLU HA 1 43 LYS QD 5.810 . 5.810 4.696 3.961 4.938 . 0 0 "[ . 1 . 2]" 1
1081 1 39 GLU HA 1 43 LYS HG3 4.840 . 4.840 3.158 2.523 3.370 . 0 0 "[ . 1 . 2]" 1
1082 1 39 GLU QB 1 40 ILE H 4.850 . 4.850 2.428 2.269 2.509 . 0 0 "[ . 1 . 2]" 1
1083 1 39 GLU QB 1 41 ASP H 5.610 . 5.610 4.699 4.552 4.802 . 0 0 "[ . 1 . 2]" 1
1084 1 39 GLU H 1 39 GLU HG3 4.330 . 4.330 3.470 2.643 3.799 . 0 0 "[ . 1 . 2]" 1
1085 1 39 GLU H 1 39 GLU HG2 4.330 . 4.330 2.975 2.015 4.141 . 0 0 "[ . 1 . 2]" 1
1086 1 39 GLU H 1 39 GLU QG 4.550 . 4.550 2.654 2.003 3.379 . 0 0 "[ . 1 . 2]" 1
1087 1 39 GLU H 1 40 ILE MD 6.520 . 6.520 5.448 5.437 5.463 . 0 0 "[ . 1 . 2]" 1
1088 1 39 GLU H 1 40 ILE HG13 5.090 . 5.090 4.126 4.110 4.145 . 0 0 "[ . 1 . 2]" 1
1089 1 39 GLU H 1 40 ILE H 3.870 . 3.870 2.767 2.716 2.809 . 0 0 "[ . 1 . 2]" 1
1090 1 39 GLU H 1 41 ASP H 4.520 . 4.520 4.257 4.044 4.414 . 0 0 "[ . 1 . 2]" 1
1091 1 40 ILE HA 1 40 ILE HG13 4.240 . 4.240 3.377 3.333 3.448 . 0 0 "[ . 1 . 2]" 1
1092 1 40 ILE HA 1 40 ILE HG12 3.970 . 3.970 2.529 2.478 2.568 . 0 0 "[ . 1 . 2]" 1
1093 1 40 ILE HA 1 42 SER H 4.760 . 4.760 4.122 4.071 4.254 . 0 0 "[ . 1 . 2]" 1
1094 1 40 ILE HA 1 43 LYS HB2 4.870 . 4.870 2.452 2.245 2.791 . 0 0 "[ . 1 . 2]" 1
1095 1 40 ILE HA 1 43 LYS H 4.230 . 4.230 3.288 3.152 3.444 . 0 0 "[ . 1 . 2]" 1
1096 1 40 ILE HA 1 44 LEU HB2 4.760 . 4.760 3.182 2.699 3.509 . 0 0 "[ . 1 . 2]" 1
1097 1 40 ILE HA 1 44 LEU MD1 5.320 . 5.320 3.819 3.253 4.517 . 0 0 "[ . 1 . 2]" 1
1098 1 40 ILE HA 1 44 LEU MD2 5.320 . 5.320 4.231 2.666 4.468 . 0 0 "[ . 1 . 2]" 1
1099 1 40 ILE HA 1 44 LEU QD 5.510 . 5.510 3.463 2.647 3.713 . 0 0 "[ . 1 . 2]" 1
1100 1 40 ILE HA 1 44 LEU HG 4.340 . 4.340 2.936 2.727 3.012 . 0 0 "[ . 1 . 2]" 1
1101 1 40 ILE HA 1 44 LEU H 3.910 . 3.910 2.394 2.265 2.537 . 0 0 "[ . 1 . 2]" 1
1102 1 40 ILE HB 1 41 ASP H 3.300 . 3.300 2.435 2.304 2.609 . 0 0 "[ . 1 . 2]" 1
1103 1 40 ILE MD 1 41 ASP H 5.870 . 5.870 4.573 4.444 4.741 . 0 0 "[ . 1 . 2]" 1
1104 1 40 ILE MD 1 44 LEU HB2 6.470 . 6.470 4.354 4.192 4.667 . 0 0 "[ . 1 . 2]" 1
1105 1 40 ILE MD 1 79 MET ME 5.570 . 5.570 3.017 2.776 3.258 . 0 0 "[ . 1 . 2]" 1
1106 1 40 ILE HG13 1 41 ASP H 4.620 . 4.620 3.893 3.826 4.029 . 0 0 "[ . 1 . 2]" 1
1107 1 40 ILE HG12 1 44 LEU QD 6.460 . 6.460 3.602 3.113 4.028 . 0 0 "[ . 1 . 2]" 1
1108 1 40 ILE HG12 1 44 LEU HG 4.600 . 4.600 3.980 3.527 4.203 . 0 0 "[ . 1 . 2]" 1
1109 1 40 ILE MG 1 41 ASP HA 4.920 . 4.920 3.698 3.573 3.826 . 0 0 "[ . 1 . 2]" 1
1110 1 40 ILE MG 1 41 ASP H 4.730 . 4.730 3.549 3.436 3.691 . 0 0 "[ . 1 . 2]" 1
1111 1 40 ILE MG 1 42 SER H 6.110 . 6.110 4.871 4.805 5.006 . 0 0 "[ . 1 . 2]" 1
1112 1 40 ILE MG 1 44 LEU HA 5.590 . 5.590 4.389 4.257 4.549 . 0 0 "[ . 1 . 2]" 1
1113 1 40 ILE MG 1 44 LEU HB3 4.940 . 4.940 3.192 2.993 3.399 . 0 0 "[ . 1 . 2]" 1
1114 1 40 ILE MG 1 44 LEU HB2 4.670 . 4.670 1.910 1.815 2.102 . 0 0 "[ . 1 . 2]" 1
1115 1 40 ILE MG 1 44 LEU QD 5.990 . 5.990 2.229 1.910 2.977 . 0 0 "[ . 1 . 2]" 1
1116 1 40 ILE MG 1 44 LEU HG 4.670 . 4.670 2.674 1.965 2.995 . 0 0 "[ . 1 . 2]" 1
1117 1 40 ILE H 1 40 ILE HB 3.380 . 3.380 2.730 2.678 2.766 . 0 0 "[ . 1 . 2]" 1
1118 1 40 ILE H 1 40 ILE MD 4.720 . 4.720 3.636 3.612 3.674 . 0 0 "[ . 1 . 2]" 1
1119 1 40 ILE H 1 40 ILE HG13 3.780 . 3.780 1.966 1.926 2.021 . 0 0 "[ . 1 . 2]" 1
1120 1 40 ILE H 1 40 ILE HG12 3.700 . 3.700 2.709 2.560 2.790 . 0 0 "[ . 1 . 2]" 1
1121 1 40 ILE H 1 41 ASP H 3.270 . 3.270 2.815 2.696 2.874 . 0 0 "[ . 1 . 2]" 1
1122 1 40 ILE H 1 42 SER H 4.330 . 4.330 3.965 3.912 4.066 . 0 0 "[ . 1 . 2]" 1
1123 1 40 ILE H 1 43 LYS H 4.990 . 4.990 4.670 4.459 4.749 . 0 0 "[ . 1 . 2]" 1
1124 1 41 ASP QB 1 42 SER H 4.200 . 4.200 2.824 2.788 2.902 . 0 0 "[ . 1 . 2]" 1
1125 1 41 ASP H 1 42 SER QB 5.480 . 5.480 4.486 4.360 4.562 . 0 0 "[ . 1 . 2]" 1
1126 1 41 ASP H 1 42 SER H 3.430 . 3.430 2.600 2.498 2.665 . 0 0 "[ . 1 . 2]" 1
1127 1 41 ASP H 1 43 LYS H 4.400 . 4.400 3.868 3.803 3.912 . 0 0 "[ . 1 . 2]" 1
1128 1 42 SER HA 1 42 SER HB3 2.970 . 2.970 2.642 2.610 2.719 . 0 0 "[ . 1 . 2]" 1
1129 1 42 SER HA 1 42 SER HB2 2.970 . 2.970 2.987 2.950 2.996 0.026 3 0 "[ . 1 . 2]" 1
1130 1 42 SER HA 1 43 LYS HG2 5.130 . 5.130 4.927 4.847 4.969 . 0 0 "[ . 1 . 2]" 1
1131 1 42 SER HA 1 43 LYS H 3.460 . 3.460 3.261 3.239 3.381 . 0 0 "[ . 1 . 2]" 1
1132 1 42 SER HB3 1 43 LYS QD 6.380 . 6.380 5.650 5.369 5.716 . 0 0 "[ . 1 . 2]" 1
1133 1 42 SER HB3 1 43 LYS HG3 4.820 . 4.820 4.579 4.272 4.760 . 0 0 "[ . 1 . 2]" 1
1134 1 42 SER HB3 1 43 LYS HG2 4.140 . 4.140 3.730 3.500 3.791 . 0 0 "[ . 1 . 2]" 1
1135 1 42 SER HB2 1 43 LYS QD 6.380 . 6.380 5.706 5.655 5.729 . 0 0 "[ . 1 . 2]" 1
1136 1 42 SER HB2 1 43 LYS HG3 4.820 . 4.820 4.238 4.144 4.415 . 0 0 "[ . 1 . 2]" 1
1137 1 42 SER HB2 1 43 LYS HG2 4.140 . 4.140 4.076 3.861 4.157 0.017 16 0 "[ . 1 . 2]" 1
1138 1 42 SER QB 1 43 LYS QD 6.500 . 6.500 5.057 4.899 5.091 . 0 0 "[ . 1 . 2]" 1
1139 1 42 SER QB 1 43 LYS QE 5.780 . 5.780 4.428 4.261 4.500 . 0 0 "[ . 1 . 2]" 1
1140 1 42 SER QB 1 43 LYS H 4.380 . 4.380 3.421 3.176 3.480 . 0 0 "[ . 1 . 2]" 1
1141 1 42 SER H 1 42 SER QB 3.770 . 3.770 2.248 2.215 2.268 . 0 0 "[ . 1 . 2]" 1
1142 1 42 SER H 1 43 LYS HB2 4.710 . 4.710 4.170 4.111 4.249 . 0 0 "[ . 1 . 2]" 1
1143 1 42 SER H 1 43 LYS HG3 4.910 . 4.910 4.486 4.131 4.731 . 0 0 "[ . 1 . 2]" 1
1144 1 42 SER H 1 43 LYS HG2 4.700 . 4.700 4.637 4.477 4.711 0.011 11 0 "[ . 1 . 2]" 1
1145 1 42 SER H 1 43 LYS H 3.210 . 3.210 2.352 2.241 2.383 . 0 0 "[ . 1 . 2]" 1
1146 1 42 SER H 1 44 LEU H 4.570 . 4.570 4.592 4.576 4.608 0.038 14 0 "[ . 1 . 2]" 1
1147 1 43 LYS HA 1 43 LYS QD 4.630 . 4.630 3.509 3.304 3.676 . 0 0 "[ . 1 . 2]" 1
1148 1 43 LYS HA 1 43 LYS QE 4.600 . 4.600 2.997 2.755 3.537 . 0 0 "[ . 1 . 2]" 1
1149 1 43 LYS HA 1 43 LYS HG3 3.800 . 3.800 3.568 3.543 3.640 . 0 0 "[ . 1 . 2]" 1
1150 1 43 LYS HA 1 43 LYS HG2 3.550 . 3.550 2.308 2.284 2.389 . 0 0 "[ . 1 . 2]" 1
1151 1 43 LYS HA 1 44 LEU QD 6.700 . 6.700 4.489 4.021 4.690 . 0 0 "[ . 1 . 2]" 1
1152 1 43 LYS HB3 1 43 LYS QE 4.690 . 4.690 3.127 2.969 3.765 . 0 0 "[ . 1 . 2]" 1
1153 1 43 LYS HB3 1 44 LEU QD 6.010 . 6.010 3.041 2.517 3.356 . 0 0 "[ . 1 . 2]" 1
1154 1 43 LYS HB3 1 81 VAL QG 6.850 . 6.850 3.884 3.775 3.964 . 0 0 "[ . 1 . 2]" 1
1155 1 43 LYS HB2 1 44 LEU H 4.000 . 4.000 2.078 1.981 2.143 . 0 0 "[ . 1 . 2]" 1
1156 1 43 LYS HB2 1 81 VAL QG 7.540 . 7.540 4.919 4.753 5.024 . 0 0 "[ . 1 . 2]" 1
1157 1 43 LYS QE 1 43 LYS HG2 3.840 . 3.840 2.047 1.957 2.194 . 0 0 "[ . 1 . 2]" 1
1158 1 43 LYS H 1 43 LYS HB3 3.900 . 3.900 3.706 3.647 3.761 . 0 0 "[ . 1 . 2]" 1
1159 1 43 LYS H 1 43 LYS HB2 3.330 . 3.330 2.542 2.432 2.621 . 0 0 "[ . 1 . 2]" 1
1160 1 43 LYS H 1 43 LYS QE 5.900 . 5.900 5.024 4.890 5.143 . 0 0 "[ . 1 . 2]" 1
1161 1 43 LYS H 1 43 LYS HG3 3.920 . 3.920 3.689 3.473 3.840 . 0 0 "[ . 1 . 2]" 1
1162 1 43 LYS H 1 43 LYS HG2 3.550 . 3.550 3.501 3.208 3.562 0.012 2 0 "[ . 1 . 2]" 1
1163 1 43 LYS H 1 44 LEU HA 5.120 . 5.120 4.903 4.860 5.041 . 0 0 "[ . 1 . 2]" 1
1164 1 43 LYS H 1 44 LEU QD 6.930 . 6.930 4.747 3.947 4.882 . 0 0 "[ . 1 . 2]" 1
1165 1 43 LYS H 1 44 LEU H 3.050 . 3.050 2.582 2.534 2.671 . 0 0 "[ . 1 . 2]" 1
1166 1 44 LEU HA 1 45 GLN H 2.910 . 2.910 2.257 2.220 2.308 . 0 0 "[ . 1 . 2]" 1
1167 1 44 LEU HA 1 81 VAL MG1 6.220 . 6.220 3.902 3.601 4.188 . 0 0 "[ . 1 . 2]" 1
1168 1 44 LEU HA 1 81 VAL MG2 6.220 . 6.220 3.177 3.087 3.404 . 0 0 "[ . 1 . 2]" 1
1169 1 44 LEU HA 1 81 VAL QG 6.560 . 6.560 3.041 2.960 3.226 . 0 0 "[ . 1 . 2]" 1
1170 1 44 LEU HB3 1 45 GLN H 3.400 . 3.400 2.703 2.524 2.847 . 0 0 "[ . 1 . 2]" 1
1171 1 44 LEU MD1 1 79 MET ME 5.650 . 5.650 2.205 1.886 3.233 . 0 0 "[ . 1 . 2]" 1
1172 1 44 LEU MD2 1 79 MET ME 5.650 . 5.650 3.608 3.499 3.710 . 0 0 "[ . 1 . 2]" 1
1173 1 44 LEU QD 1 45 GLN HA 7.540 . 7.540 5.005 4.847 5.115 . 0 0 "[ . 1 . 2]" 1
1174 1 44 LEU QD 1 45 GLN H 5.760 . 5.760 3.247 3.066 3.427 . 0 0 "[ . 1 . 2]" 1
1175 1 44 LEU QD 1 48 ASP QB 7.010 . 7.010 3.258 3.001 3.634 . 0 0 "[ . 1 . 2]" 1
1176 1 44 LEU QD 1 50 ILE HA 7.540 . 7.540 4.720 4.577 5.005 . 0 0 "[ . 1 . 2]" 1
1177 1 44 LEU QD 1 79 MET HB2 6.850 . 6.850 3.265 3.076 3.687 . 0 0 "[ . 1 . 2]" 1
1178 1 44 LEU QD 1 79 MET ME 6.140 . 6.140 2.174 1.880 3.043 . 0 0 "[ . 1 . 2]" 1
1179 1 44 LEU QD 1 79 MET QG 8.260 . 8.260 3.972 3.770 4.331 . 0 0 "[ . 1 . 2]" 1
1180 1 44 LEU QD 1 81 VAL HA 7.270 . 7.270 4.286 4.153 4.733 . 0 0 "[ . 1 . 2]" 1
1181 1 44 LEU QD 1 81 VAL HB 6.150 . 6.150 3.207 3.059 3.780 . 0 0 "[ . 1 . 2]" 1
1182 1 44 LEU QD 1 81 VAL QG 6.810 . 6.810 1.608 1.519 1.897 0.281 6 0 "[ . 1 . 2]" 1
1183 1 44 LEU HG 1 81 VAL QG 6.590 . 6.590 3.632 3.482 4.169 . 0 0 "[ . 1 . 2]" 1
1184 1 44 LEU H 1 44 LEU HB3 3.780 . 3.780 3.588 3.545 3.610 . 0 0 "[ . 1 . 2]" 1
1185 1 44 LEU H 1 44 LEU HB2 3.320 . 3.320 2.452 2.312 2.568 . 0 0 "[ . 1 . 2]" 1
1186 1 44 LEU H 1 44 LEU HG 3.230 . 3.230 2.478 2.166 3.282 0.052 16 0 "[ . 1 . 2]" 1
1187 1 44 LEU H 1 45 GLN H 4.660 . 4.660 4.611 4.602 4.628 . 0 0 "[ . 1 . 2]" 1
1188 1 45 GLN HA 1 45 GLN HG3 3.570 . 3.570 2.437 2.053 3.447 . 0 0 "[ . 1 . 2]" 1
1189 1 45 GLN HA 1 45 GLN HG2 3.570 . 3.570 2.933 2.066 3.579 0.009 17 0 "[ . 1 . 2]" 1
1190 1 45 GLN HA 1 46 ARG HA 5.080 . 5.080 4.323 4.296 4.357 . 0 0 "[ . 1 . 2]" 1
1191 1 45 GLN HA 1 46 ARG H 2.810 . 2.810 2.489 2.197 2.664 . 0 0 "[ . 1 . 2]" 1
1192 1 45 GLN QB 1 46 ARG H 4.890 . 4.890 2.735 2.001 3.457 . 0 0 "[ . 1 . 2]" 1
1193 1 45 GLN HG3 1 46 ARG H 4.230 . 4.230 3.191 1.986 4.233 0.003 4 0 "[ . 1 . 2]" 1
1194 1 45 GLN HG2 1 46 ARG H 4.230 . 4.230 2.804 1.997 4.212 . 0 0 "[ . 1 . 2]" 1
1195 1 45 GLN H 1 45 GLN HB3 3.960 . 3.960 3.369 3.013 3.731 . 0 0 "[ . 1 . 2]" 1
1196 1 45 GLN H 1 45 GLN HB2 3.960 . 3.960 2.942 2.800 3.183 . 0 0 "[ . 1 . 2]" 1
1197 1 45 GLN H 1 45 GLN HG3 5.100 . 5.100 4.529 3.947 5.097 . 0 0 "[ . 1 . 2]" 1
1198 1 45 GLN H 1 45 GLN HG2 5.100 . 5.100 4.893 4.535 5.103 0.003 17 0 "[ . 1 . 2]" 1
1199 1 45 GLN H 1 46 ARG H 5.190 . 5.190 4.351 4.220 4.385 . 0 0 "[ . 1 . 2]" 1
1200 1 46 ARG HA 1 46 ARG QD 5.030 . 5.030 3.984 3.769 4.138 . 0 0 "[ . 1 . 2]" 1
1201 1 46 ARG HA 1 46 ARG HG3 3.880 . 3.880 2.738 2.348 3.120 . 0 0 "[ . 1 . 2]" 1
1202 1 46 ARG HA 1 46 ARG HG2 3.930 . 3.930 2.529 2.181 2.964 . 0 0 "[ . 1 . 2]" 1
1203 1 46 ARG HA 1 47 GLY H 3.240 . 3.240 2.172 2.135 2.274 . 0 0 "[ . 1 . 2]" 1
1204 1 46 ARG HA 1 48 ASP H 4.100 . 4.100 3.879 3.555 4.110 0.010 9 0 "[ . 1 . 2]" 1
1205 1 46 ARG QB 1 47 GLY H 4.650 . 4.650 3.602 3.363 3.805 . 0 0 "[ . 1 . 2]" 1
1206 1 46 ARG HG3 1 47 GLY H 5.160 . 5.160 4.868 4.393 5.168 0.008 1 0 "[ . 1 . 2]" 1
1207 1 46 ARG H 1 46 ARG QB 3.830 . 3.830 2.237 2.115 2.535 . 0 0 "[ . 1 . 2]" 1
1208 1 46 ARG H 1 46 ARG QD 5.400 . 5.400 4.041 3.218 4.672 . 0 0 "[ . 1 . 2]" 1
1209 1 46 ARG H 1 46 ARG HG3 3.710 . 3.710 2.900 1.989 3.409 . 0 0 "[ . 1 . 2]" 1
1210 1 46 ARG H 1 47 GLY H 4.420 . 4.420 4.325 4.038 4.435 0.015 13 0 "[ . 1 . 2]" 1
1211 1 47 GLY H 1 48 ASP H 3.460 . 3.460 2.025 1.932 2.265 . 0 0 "[ . 1 . 2]" 1
1212 1 48 ASP HA 1 49 ILE MD 6.220 . 6.220 3.696 2.820 4.612 . 0 0 "[ . 1 . 2]" 1
1213 1 48 ASP HA 1 49 ILE HG12 5.020 . 5.020 4.917 4.388 5.064 0.044 15 0 "[ . 1 . 2]" 1
1214 1 48 ASP HA 1 49 ILE H 3.420 . 3.420 2.305 2.177 2.538 . 0 0 "[ . 1 . 2]" 1
1215 1 48 ASP HA 1 81 VAL QG 6.810 . 6.810 4.577 4.287 4.898 . 0 0 "[ . 1 . 2]" 1
1216 1 48 ASP HA 1 82 THR MG 6.520 . 6.520 5.020 4.696 5.186 . 0 0 "[ . 1 . 2]" 1
1217 1 48 ASP HA 1 83 ARG HA 4.080 . 4.080 2.635 2.168 2.835 . 0 0 "[ . 1 . 2]" 1
1218 1 48 ASP HA 1 84 PRO HD3 4.510 . 4.510 3.444 2.830 3.861 . 0 0 "[ . 1 . 2]" 1
1219 1 48 ASP HA 1 84 PRO HD2 4.270 . 4.270 2.896 2.379 3.430 . 0 0 "[ . 1 . 2]" 1
1220 1 48 ASP HB3 1 49 ILE H 4.370 . 4.370 2.813 2.235 3.278 . 0 0 "[ . 1 . 2]" 1
1221 1 48 ASP HB2 1 49 ILE H 4.370 . 4.370 4.008 3.566 4.356 . 0 0 "[ . 1 . 2]" 1
1222 1 48 ASP QB 1 49 ILE H 4.690 . 4.690 2.757 2.217 3.188 . 0 0 "[ . 1 . 2]" 1
1223 1 48 ASP QB 1 81 VAL QG 6.230 . 6.230 2.536 2.191 2.818 . 0 0 "[ . 1 . 2]" 1
1224 1 48 ASP H 1 48 ASP HB3 3.630 . 3.630 3.625 3.539 3.686 0.056 13 0 "[ . 1 . 2]" 1
1225 1 48 ASP H 1 48 ASP HB2 3.630 . 3.630 2.582 2.410 2.724 . 0 0 "[ . 1 . 2]" 1
1226 1 48 ASP H 1 49 ILE HA 5.500 . 5.500 4.897 4.673 5.330 . 0 0 "[ . 1 . 2]" 1
1227 1 48 ASP H 1 49 ILE H 4.680 . 4.680 4.438 4.301 4.601 . 0 0 "[ . 1 . 2]" 1
1228 1 49 ILE HA 1 49 ILE HG12 3.910 . 3.910 3.254 2.846 3.540 . 0 0 "[ . 1 . 2]" 1
1229 1 49 ILE HA 1 50 ILE H 3.240 . 3.240 2.155 2.134 2.162 . 0 0 "[ . 1 . 2]" 1
1230 1 49 ILE HB 1 51 THR MG 4.890 . 4.890 2.729 2.636 2.815 . 0 0 "[ . 1 . 2]" 1
1231 1 49 ILE HB 1 82 THR HB 3.770 . 3.770 2.789 2.608 2.885 . 0 0 "[ . 1 . 2]" 1
1232 1 49 ILE HB 1 82 THR MG 5.060 . 5.060 3.954 3.764 4.044 . 0 0 "[ . 1 . 2]" 1
1233 1 49 ILE HB 1 82 THR H 4.260 . 4.260 3.636 3.474 3.773 . 0 0 "[ . 1 . 2]" 1
1234 1 49 ILE MD 1 51 THR MG 6.830 . 6.830 3.654 3.542 3.772 . 0 0 "[ . 1 . 2]" 1
1235 1 49 ILE MD 1 82 THR HB 4.720 . 4.720 3.098 2.473 3.573 . 0 0 "[ . 1 . 2]" 1
1236 1 49 ILE MD 1 82 THR MG 5.320 . 5.320 3.070 2.714 3.335 . 0 0 "[ . 1 . 2]" 1
1237 1 49 ILE MD 1 82 THR H 6.340 . 6.340 4.374 3.781 4.926 . 0 0 "[ . 1 . 2]" 1
1238 1 49 ILE MD 1 83 ARG HA 6.000 . 6.000 4.150 3.597 4.907 . 0 0 "[ . 1 . 2]" 1
1239 1 49 ILE MD 1 84 PRO HA 6.390 . 6.390 4.882 4.498 5.220 . 0 0 "[ . 1 . 2]" 1
1240 1 49 ILE MD 1 84 PRO HB3 5.550 . 5.550 3.708 3.379 4.320 . 0 0 "[ . 1 . 2]" 1
1241 1 49 ILE MD 1 84 PRO HB2 5.550 . 5.550 4.235 3.985 4.495 . 0 0 "[ . 1 . 2]" 1
1242 1 49 ILE MD 1 84 PRO QB 5.580 . 5.580 3.473 3.210 3.892 . 0 0 "[ . 1 . 2]" 1
1243 1 49 ILE MD 1 84 PRO HD3 5.110 . 5.110 2.333 1.946 2.965 . 0 0 "[ . 1 . 2]" 1
1244 1 49 ILE MD 1 84 PRO HD2 5.180 . 5.180 3.098 2.679 3.767 . 0 0 "[ . 1 . 2]" 1
1245 1 49 ILE MD 1 84 PRO HG3 4.710 . 4.710 2.111 1.841 2.621 . 0 0 "[ . 1 . 2]" 1
1246 1 49 ILE MD 1 84 PRO HG2 4.490 . 4.490 2.944 1.954 3.495 . 0 0 "[ . 1 . 2]" 1
1247 1 49 ILE HG13 1 82 THR HB 5.330 . 5.330 4.662 3.980 5.113 . 0 0 "[ . 1 . 2]" 1
1248 1 49 ILE HG13 1 82 THR MG 6.520 . 6.520 4.977 4.140 5.305 . 0 0 "[ . 1 . 2]" 1
1249 1 49 ILE HG13 1 84 PRO HD3 5.330 . 5.330 3.772 2.797 4.351 . 0 0 "[ . 1 . 2]" 1
1250 1 49 ILE HG13 1 84 PRO HD2 5.110 . 5.110 4.050 3.269 4.711 . 0 0 "[ . 1 . 2]" 1
1251 1 49 ILE MG 1 50 ILE HA 6.520 . 6.520 4.365 4.262 4.451 . 0 0 "[ . 1 . 2]" 1
1252 1 49 ILE MG 1 50 ILE H 4.800 . 4.800 2.786 2.589 2.943 . 0 0 "[ . 1 . 2]" 1
1253 1 49 ILE MG 1 51 THR HA 5.590 . 5.590 4.090 3.871 4.282 . 0 0 "[ . 1 . 2]" 1
1254 1 49 ILE MG 1 51 THR HB 6.080 . 6.080 4.908 4.816 4.947 . 0 0 "[ . 1 . 2]" 1
1255 1 49 ILE MG 1 51 THR MG 5.060 . 5.060 2.728 2.520 2.910 . 0 0 "[ . 1 . 2]" 1
1256 1 49 ILE MG 1 82 THR HB 5.170 . 5.170 4.267 4.104 4.309 . 0 0 "[ . 1 . 2]" 1
1257 1 49 ILE H 1 49 ILE HB 3.770 . 3.770 2.882 2.819 3.049 . 0 0 "[ . 1 . 2]" 1
1258 1 49 ILE H 1 49 ILE MD 5.780 . 5.780 2.958 2.349 4.033 . 0 0 "[ . 1 . 2]" 1
1259 1 49 ILE H 1 49 ILE HG13 4.270 . 4.270 2.611 2.078 3.075 . 0 0 "[ . 1 . 2]" 1
1260 1 49 ILE H 1 49 ILE HG12 4.570 . 4.570 3.996 3.501 4.351 . 0 0 "[ . 1 . 2]" 1
1261 1 49 ILE H 1 81 VAL QG 6.320 . 6.320 3.919 3.585 4.328 . 0 0 "[ . 1 . 2]" 1
1262 1 49 ILE H 1 82 THR H 3.930 . 3.930 2.682 2.259 3.097 . 0 0 "[ . 1 . 2]" 1
1263 1 49 ILE H 1 83 ARG HA 4.520 . 4.520 3.730 3.574 3.970 . 0 0 "[ . 1 . 2]" 1
1264 1 49 ILE H 1 84 PRO HD3 4.420 . 4.420 3.488 3.017 3.776 . 0 0 "[ . 1 . 2]" 1
1265 1 49 ILE H 1 84 PRO HD2 4.600 . 4.600 4.022 3.701 4.399 . 0 0 "[ . 1 . 2]" 1
1266 1 50 ILE HA 1 51 THR MG 5.020 . 5.020 3.703 3.541 3.794 . 0 0 "[ . 1 . 2]" 1
1267 1 50 ILE HA 1 51 THR H 3.430 . 3.430 2.167 2.154 2.180 . 0 0 "[ . 1 . 2]" 1
1268 1 50 ILE HA 1 52 LYS H 4.030 . 4.030 3.304 3.194 3.463 . 0 0 "[ . 1 . 2]" 1
1269 1 50 ILE HA 1 58 LEU QD 6.980 . 6.980 3.954 3.864 4.093 . 0 0 "[ . 1 . 2]" 1
1270 1 50 ILE HA 1 81 VAL HA 3.770 . 3.770 1.973 1.844 2.015 . 0 0 "[ . 1 . 2]" 1
1271 1 50 ILE HA 1 81 VAL HB 5.500 . 5.500 4.115 3.924 4.220 . 0 0 "[ . 1 . 2]" 1
1272 1 50 ILE HA 1 81 VAL QG 5.720 . 5.720 2.218 2.007 2.562 . 0 0 "[ . 1 . 2]" 1
1273 1 50 ILE HA 1 81 VAL H 5.080 . 5.080 4.458 4.238 4.584 . 0 0 "[ . 1 . 2]" 1
1274 1 50 ILE HA 1 82 THR H 3.900 . 3.900 3.286 3.128 3.382 . 0 0 "[ . 1 . 2]" 1
1275 1 50 ILE HB 1 51 THR H 5.150 . 5.150 4.356 4.281 4.392 . 0 0 "[ . 1 . 2]" 1
1276 1 50 ILE HB 1 58 LEU QD 6.260 . 6.260 2.619 2.482 2.725 . 0 0 "[ . 1 . 2]" 1
1277 1 50 ILE HB 1 81 VAL QG 6.960 . 6.960 3.763 3.645 3.831 . 0 0 "[ . 1 . 2]" 1
1278 1 50 ILE MD 1 51 THR H 6.520 . 6.520 5.490 5.467 5.501 . 0 0 "[ . 1 . 2]" 1
1279 1 50 ILE MD 1 79 MET ME 5.250 . 5.250 3.155 2.965 3.273 . 0 0 "[ . 1 . 2]" 1
1280 1 50 ILE MD 1 79 MET QG 6.590 . 6.590 3.834 3.522 4.082 . 0 0 "[ . 1 . 2]" 1
1281 1 50 ILE MD 1 81 VAL HA 6.100 . 6.100 4.972 4.822 5.046 . 0 0 "[ . 1 . 2]" 1
1282 1 50 ILE MD 1 81 VAL QG 6.430 . 6.430 3.004 2.806 3.079 . 0 0 "[ . 1 . 2]" 1
1283 1 50 ILE QG 1 51 THR H 5.940 . 5.940 4.392 4.348 4.500 . 0 0 "[ . 1 . 2]" 1
1284 1 50 ILE QG 1 79 MET HB2 6.220 . 6.220 3.320 2.858 4.471 . 0 0 "[ . 1 . 2]" 1
1285 1 50 ILE QG 1 81 VAL QG 6.570 . 6.570 1.729 1.661 1.816 0.139 2 0 "[ . 1 . 2]" 1
1286 1 50 ILE MG 1 51 THR H 4.860 . 4.860 3.073 3.041 3.123 . 0 0 "[ . 1 . 2]" 1
1287 1 50 ILE MG 1 52 LYS HA 5.830 . 5.830 4.093 3.992 4.410 . 0 0 "[ . 1 . 2]" 1
1288 1 50 ILE MG 1 52 LYS H 4.580 . 4.580 2.025 1.922 2.242 . 0 0 "[ . 1 . 2]" 1
1289 1 50 ILE MG 1 53 PHE HA 5.410 . 5.410 3.561 3.437 3.828 . 0 0 "[ . 1 . 2]" 1
1290 1 50 ILE MG 1 53 PHE QB 6.590 . 6.590 2.703 2.536 2.933 . 0 0 "[ . 1 . 2]" 1
1291 1 50 ILE MG 1 58 LEU QD 6.130 . 6.130 1.800 1.719 2.141 0.081 13 0 "[ . 1 . 2]" 1
1292 1 50 ILE MG 1 79 MET HA 5.190 . 5.190 3.393 3.169 3.691 . 0 0 "[ . 1 . 2]" 1
1293 1 50 ILE MG 1 79 MET HB3 4.870 . 4.870 1.983 1.905 2.301 . 0 0 "[ . 1 . 2]" 1
1294 1 50 ILE MG 1 79 MET HB2 5.090 . 5.090 2.688 1.959 2.855 . 0 0 "[ . 1 . 2]" 1
1295 1 50 ILE MG 1 79 MET QG 5.680 . 5.680 3.379 3.211 3.623 . 0 0 "[ . 1 . 2]" 1
1296 1 50 ILE MG 1 80 GLU H 5.190 . 5.190 3.264 2.846 3.432 . 0 0 "[ . 1 . 2]" 1
1297 1 50 ILE MG 1 81 VAL HA 5.520 . 5.520 3.507 3.237 3.636 . 0 0 "[ . 1 . 2]" 1
1298 1 50 ILE MG 1 81 VAL QG 6.690 . 6.690 2.767 2.249 2.877 . 0 0 "[ . 1 . 2]" 1
1299 1 50 ILE H 1 50 ILE HB 3.680 . 3.680 2.628 2.562 2.792 . 0 0 "[ . 1 . 2]" 1
1300 1 50 ILE H 1 50 ILE MD 4.940 . 4.940 3.085 2.952 3.608 . 0 0 "[ . 1 . 2]" 1
1301 1 50 ILE H 1 50 ILE HG13 3.890 . 3.890 2.099 1.908 2.201 . 0 0 "[ . 1 . 2]" 1
1302 1 50 ILE H 1 50 ILE HG12 3.890 . 3.890 3.595 2.786 3.697 . 0 0 "[ . 1 . 2]" 1
1303 1 50 ILE H 1 58 LEU QD 7.540 . 7.540 4.509 4.417 4.702 . 0 0 "[ . 1 . 2]" 1
1304 1 51 THR HA 1 58 LEU QB 5.540 . 5.540 2.546 2.430 2.615 . 0 0 "[ . 1 . 2]" 1
1305 1 51 THR HA 1 58 LEU MD1 6.160 . 6.160 3.512 3.417 3.593 . 0 0 "[ . 1 . 2]" 1
1306 1 51 THR HA 1 58 LEU MD2 6.160 . 6.160 5.194 5.149 5.204 . 0 0 "[ . 1 . 2]" 1
1307 1 51 THR HA 1 58 LEU QD 5.970 . 5.970 3.459 3.374 3.531 . 0 0 "[ . 1 . 2]" 1
1308 1 51 THR HB 1 52 LYS H 4.830 . 4.830 4.464 4.311 4.551 . 0 0 "[ . 1 . 2]" 1
1309 1 51 THR HB 1 58 LEU QD 7.510 . 7.510 5.187 5.107 5.265 . 0 0 "[ . 1 . 2]" 1
1310 1 51 THR HB 1 82 THR MG 6.520 . 6.520 5.321 5.307 5.332 . 0 0 "[ . 1 . 2]" 1
1311 1 51 THR MG 1 52 LYS H 5.600 . 5.600 4.108 3.953 4.259 . 0 0 "[ . 1 . 2]" 1
1312 1 51 THR MG 1 58 LEU QB 6.510 . 6.510 4.478 4.363 4.552 . 0 0 "[ . 1 . 2]" 1
1313 1 51 THR MG 1 81 VAL HA 6.520 . 6.520 4.004 3.851 4.223 . 0 0 "[ . 1 . 2]" 1
1314 1 51 THR MG 1 82 THR HA 5.770 . 5.770 4.342 4.226 4.495 . 0 0 "[ . 1 . 2]" 1
1315 1 51 THR MG 1 82 THR HB 4.370 . 4.370 2.365 2.210 2.612 . 0 0 "[ . 1 . 2]" 1
1316 1 51 THR MG 1 82 THR MG 5.310 . 5.310 3.078 2.978 3.187 . 0 0 "[ . 1 . 2]" 1
1317 1 51 THR MG 1 82 THR H 4.880 . 4.880 3.168 3.067 3.340 . 0 0 "[ . 1 . 2]" 1
1318 1 51 THR H 1 51 THR MG 4.790 . 4.790 2.302 2.059 2.444 . 0 0 "[ . 1 . 2]" 1
1319 1 51 THR H 1 52 LYS H 3.500 . 3.500 2.498 2.285 2.762 . 0 0 "[ . 1 . 2]" 1
1320 1 51 THR H 1 80 GLU H 5.490 . 5.490 5.136 4.899 5.422 . 0 0 "[ . 1 . 2]" 1
1321 1 51 THR H 1 81 VAL HA 4.150 . 4.150 2.885 2.779 2.955 . 0 0 "[ . 1 . 2]" 1
1322 1 51 THR H 1 81 VAL MG1 6.520 . 6.520 4.018 3.845 4.291 . 0 0 "[ . 1 . 2]" 1
1323 1 51 THR H 1 81 VAL MG2 6.520 . 6.520 5.447 5.414 5.463 . 0 0 "[ . 1 . 2]" 1
1324 1 51 THR H 1 82 THR H 4.670 . 4.670 3.400 3.247 3.526 . 0 0 "[ . 1 . 2]" 1
1325 1 52 LYS HA 1 52 LYS HE3 5.240 . 5.240 4.759 4.103 5.164 . 0 0 "[ . 1 . 2]" 1
1326 1 52 LYS HA 1 52 LYS HE2 4.960 . 4.960 4.380 4.069 4.786 . 0 0 "[ . 1 . 2]" 1
1327 1 52 LYS HA 1 52 LYS HG3 4.250 . 4.250 3.189 2.955 3.364 . 0 0 "[ . 1 . 2]" 1
1328 1 52 LYS HA 1 52 LYS HG2 4.250 . 4.250 2.053 2.025 2.128 . 0 0 "[ . 1 . 2]" 1
1329 1 52 LYS HA 1 53 PHE H 3.550 . 3.550 2.219 2.156 2.272 . 0 0 "[ . 1 . 2]" 1
1330 1 52 LYS HA 1 56 ASP H 4.240 . 4.240 4.229 4.122 4.258 0.018 9 0 "[ . 1 . 2]" 1
1331 1 52 LYS HA 1 57 ALA HA 3.610 . 3.610 2.250 1.982 2.607 . 0 0 "[ . 1 . 2]" 1
1332 1 52 LYS HA 1 57 ALA MB 5.530 . 5.530 3.924 3.698 4.225 . 0 0 "[ . 1 . 2]" 1
1333 1 52 LYS HA 1 58 LEU QB 5.500 . 5.500 3.930 3.710 4.073 . 0 0 "[ . 1 . 2]" 1
1334 1 52 LYS HA 1 58 LEU MD1 5.200 . 5.200 3.262 3.166 3.393 . 0 0 "[ . 1 . 2]" 1
1335 1 52 LYS HA 1 58 LEU MD2 5.200 . 5.200 4.023 3.730 4.327 . 0 0 "[ . 1 . 2]" 1
1336 1 52 LYS HA 1 58 LEU H 4.900 . 4.900 2.286 2.120 2.403 . 0 0 "[ . 1 . 2]" 1
1337 1 52 LYS HA 1 59 GLU H 5.500 . 5.500 4.788 4.539 5.023 . 0 0 "[ . 1 . 2]" 1
1338 1 52 LYS HB3 1 52 LYS HE3 4.820 . 4.820 4.395 4.234 4.530 . 0 0 "[ . 1 . 2]" 1
1339 1 52 LYS HB3 1 52 LYS HE2 4.650 . 4.650 4.239 3.906 4.522 . 0 0 "[ . 1 . 2]" 1
1340 1 52 LYS HB3 1 53 PHE HA 5.290 . 5.290 4.078 4.008 4.224 . 0 0 "[ . 1 . 2]" 1
1341 1 52 LYS HB3 1 53 PHE H 4.520 . 4.520 3.291 3.103 3.617 . 0 0 "[ . 1 . 2]" 1
1342 1 52 LYS HB3 1 55 GLY H 5.240 . 5.240 4.269 4.107 4.523 . 0 0 "[ . 1 . 2]" 1
1343 1 52 LYS HB3 1 56 ASP H 4.680 . 4.680 4.502 4.380 4.678 . 0 0 "[ . 1 . 2]" 1
1344 1 52 LYS HB3 1 57 ALA HA 4.850 . 4.850 4.424 4.125 4.646 . 0 0 "[ . 1 . 2]" 1
1345 1 52 LYS HB3 1 80 GLU HA 5.500 . 5.500 4.506 4.281 4.636 . 0 0 "[ . 1 . 2]" 1
1346 1 52 LYS HB3 1 80 GLU HB3 4.270 . 4.270 2.957 2.559 3.215 . 0 0 "[ . 1 . 2]" 1
1347 1 52 LYS HB3 1 80 GLU QG 5.420 . 5.420 4.083 3.998 4.144 . 0 0 "[ . 1 . 2]" 1
1348 1 52 LYS HB3 1 80 GLU H 4.180 . 4.180 2.575 2.297 2.740 . 0 0 "[ . 1 . 2]" 1
1349 1 52 LYS HB2 1 52 LYS HE3 4.690 . 4.690 4.513 4.204 4.692 0.002 6 0 "[ . 1 . 2]" 1
1350 1 52 LYS HB2 1 52 LYS HE2 5.180 . 5.180 4.910 4.710 5.143 . 0 0 "[ . 1 . 2]" 1
1351 1 52 LYS HB2 1 53 PHE HA 5.500 . 5.500 5.353 5.301 5.471 . 0 0 "[ . 1 . 2]" 1
1352 1 52 LYS HB2 1 53 PHE H 4.920 . 4.920 4.336 4.240 4.487 . 0 0 "[ . 1 . 2]" 1
1353 1 52 LYS HB2 1 57 ALA HA 4.650 . 4.650 4.257 3.804 4.517 . 0 0 "[ . 1 . 2]" 1
1354 1 52 LYS HB2 1 80 GLU HA 5.500 . 5.500 4.502 4.385 4.669 . 0 0 "[ . 1 . 2]" 1
1355 1 52 LYS HB2 1 80 GLU HB3 4.410 . 4.410 2.052 1.956 2.455 . 0 0 "[ . 1 . 2]" 1
1356 1 52 LYS HB2 1 80 GLU QG 5.290 . 5.290 3.782 3.598 4.055 . 0 0 "[ . 1 . 2]" 1
1357 1 52 LYS HB2 1 80 GLU H 4.670 . 4.670 3.329 3.129 3.576 . 0 0 "[ . 1 . 2]" 1
1358 1 52 LYS QD 1 53 PHE HA 6.380 . 6.380 4.894 4.450 5.296 . 0 0 "[ . 1 . 2]" 1
1359 1 52 LYS QD 1 53 PHE H 6.150 . 6.150 3.534 2.872 4.120 . 0 0 "[ . 1 . 2]" 1
1360 1 52 LYS QD 1 55 GLY HA3 5.450 . 5.450 4.413 4.036 4.716 . 0 0 "[ . 1 . 2]" 1
1361 1 52 LYS QD 1 55 GLY HA2 5.450 . 5.450 2.849 2.536 3.152 . 0 0 "[ . 1 . 2]" 1
1362 1 52 LYS QD 1 55 GLY QA 5.710 . 5.710 2.816 2.511 3.107 . 0 0 "[ . 1 . 2]" 1
1363 1 52 LYS QD 1 55 GLY H 5.000 . 5.000 3.199 2.915 3.515 . 0 0 "[ . 1 . 2]" 1
1364 1 52 LYS QD 1 56 ASP H 5.220 . 5.220 3.427 2.677 3.994 . 0 0 "[ . 1 . 2]" 1
1365 1 52 LYS QD 1 57 ALA HA 5.500 . 5.500 4.002 3.632 4.194 . 0 0 "[ . 1 . 2]" 1
1366 1 52 LYS QD 1 80 GLU HA 6.380 . 6.380 5.340 4.953 5.652 . 0 0 "[ . 1 . 2]" 1
1367 1 52 LYS QD 1 80 GLU HB3 5.280 . 5.280 3.736 3.220 4.178 . 0 0 "[ . 1 . 2]" 1
1368 1 52 LYS QD 1 80 GLU QG 6.150 . 6.150 3.980 3.484 4.409 . 0 0 "[ . 1 . 2]" 1
1369 1 52 LYS HE3 1 57 ALA HA 4.950 . 4.950 3.985 3.084 4.454 . 0 0 "[ . 1 . 2]" 1
1370 1 52 LYS HE3 1 57 ALA MB 5.050 . 5.050 3.396 2.891 4.024 . 0 0 "[ . 1 . 2]" 1
1371 1 52 LYS HE2 1 55 GLY H 5.340 . 5.340 4.539 3.767 5.340 . 12 0 "[ . 1 . 2]" 1
1372 1 52 LYS HE2 1 57 ALA HA 4.870 . 4.870 3.726 3.448 3.995 . 0 0 "[ . 1 . 2]" 1
1373 1 52 LYS HE2 1 57 ALA MB 5.070 . 5.070 3.479 3.116 3.899 . 0 0 "[ . 1 . 2]" 1
1374 1 52 LYS HE3 1 52 LYS HG3 3.990 . 3.990 2.550 2.195 2.787 . 0 0 "[ . 1 . 2]" 1
1375 1 52 LYS HE2 1 52 LYS HG3 4.020 . 4.020 3.352 2.857 3.765 . 0 0 "[ . 1 . 2]" 1
1376 1 52 LYS HG3 1 57 ALA HA 4.080 . 4.080 3.240 2.558 3.583 . 0 0 "[ . 1 . 2]" 1
1377 1 52 LYS HE3 1 52 LYS HG2 3.990 . 3.990 2.753 2.234 3.263 . 0 0 "[ . 1 . 2]" 1
1378 1 52 LYS HE2 1 52 LYS HG2 4.020 . 4.020 2.624 2.294 2.955 . 0 0 "[ . 1 . 2]" 1
1379 1 52 LYS HG2 1 57 ALA HA 4.080 . 4.080 1.974 1.949 2.003 . 0 0 "[ . 1 . 2]" 1
1380 1 52 LYS QG 1 53 PHE H 5.100 . 5.100 3.242 2.991 3.378 . 0 0 "[ . 1 . 2]" 1
1381 1 52 LYS QG 1 55 GLY H 5.600 . 5.600 4.907 4.594 5.022 . 0 0 "[ . 1 . 2]" 1
1382 1 52 LYS QG 1 56 ASP H 4.930 . 4.930 4.057 3.613 4.239 . 0 0 "[ . 1 . 2]" 1
1383 1 52 LYS QG 1 57 ALA HA 4.400 . 4.400 1.954 1.892 1.987 . 0 0 "[ . 1 . 2]" 1
1384 1 52 LYS QG 1 57 ALA MB 5.750 . 5.750 2.916 2.605 3.186 . 0 0 "[ . 1 . 2]" 1
1385 1 52 LYS QG 1 57 ALA H 5.470 . 5.470 3.500 3.020 3.779 . 0 0 "[ . 1 . 2]" 1
1386 1 52 LYS QG 1 80 GLU H 6.030 . 6.030 4.663 4.436 4.765 . 0 0 "[ . 1 . 2]" 1
1387 1 52 LYS H 1 52 LYS HB3 3.960 . 3.960 3.592 3.481 3.728 . 0 0 "[ . 1 . 2]" 1
1388 1 52 LYS H 1 52 LYS HB2 4.200 . 4.200 2.885 2.676 3.061 . 0 0 "[ . 1 . 2]" 1
1389 1 52 LYS H 1 53 PHE H 4.970 . 4.970 4.214 4.010 4.362 . 0 0 "[ . 1 . 2]" 1
1390 1 52 LYS H 1 58 LEU QB 5.860 . 5.860 3.614 3.154 3.902 . 0 0 "[ . 1 . 2]" 1
1391 1 52 LYS H 1 58 LEU MD1 5.910 . 5.910 2.510 2.208 2.882 . 0 0 "[ . 1 . 2]" 1
1392 1 52 LYS H 1 58 LEU MD2 5.910 . 5.910 4.809 4.448 4.979 . 0 0 "[ . 1 . 2]" 1
1393 1 52 LYS H 1 58 LEU QD 6.000 . 6.000 2.501 2.203 2.864 . 0 0 "[ . 1 . 2]" 1
1394 1 52 LYS H 1 58 LEU HG 5.430 . 5.430 3.567 3.091 3.844 . 0 0 "[ . 1 . 2]" 1
1395 1 52 LYS H 1 79 MET HA 5.500 . 5.500 4.998 4.850 5.143 . 0 0 "[ . 1 . 2]" 1
1396 1 52 LYS H 1 80 GLU H 3.940 . 3.940 3.688 3.422 3.940 . 0 0 "[ . 1 . 2]" 1
1397 1 52 LYS H 1 81 VAL QG 7.540 . 7.540 4.675 4.447 4.981 . 0 0 "[ . 1 . 2]" 1
1398 1 53 PHE HA 1 54 ASN H 3.210 . 3.210 2.144 2.136 2.157 . 0 0 "[ . 1 . 2]" 1
1399 1 53 PHE HA 1 55 GLY H 4.570 . 4.570 4.176 3.855 4.517 . 0 0 "[ . 1 . 2]" 1
1400 1 53 PHE HA 1 58 LEU MD1 6.130 . 6.130 3.451 3.313 3.550 . 0 0 "[ . 1 . 2]" 1
1401 1 53 PHE HA 1 58 LEU MD2 6.130 . 6.130 4.339 4.195 4.603 . 0 0 "[ . 1 . 2]" 1
1402 1 53 PHE HA 1 58 LEU QD 6.480 . 6.480 3.323 3.196 3.404 . 0 0 "[ . 1 . 2]" 1
1403 1 53 PHE HA 1 69 LEU MD1 5.970 . 5.970 4.386 4.298 4.456 . 0 0 "[ . 1 . 2]" 1
1404 1 53 PHE HA 1 79 MET HA 3.690 . 3.690 2.301 2.179 2.433 . 0 0 "[ . 1 . 2]" 1
1405 1 53 PHE HA 1 79 MET HB3 3.860 . 3.860 3.242 3.031 3.467 . 0 0 "[ . 1 . 2]" 1
1406 1 53 PHE HA 1 79 MET HG3 5.070 . 5.070 3.901 3.580 5.079 0.009 4 0 "[ . 1 . 2]" 1
1407 1 53 PHE HA 1 79 MET HG2 5.070 . 5.070 4.366 4.157 4.558 . 0 0 "[ . 1 . 2]" 1
1408 1 53 PHE HA 1 79 MET QG 5.240 . 5.240 3.630 3.422 4.250 . 0 0 "[ . 1 . 2]" 1
1409 1 53 PHE HA 1 80 GLU H 4.120 . 4.120 3.372 3.201 3.583 . 0 0 "[ . 1 . 2]" 1
1410 1 53 PHE HB3 1 58 LEU MD1 5.140 . 5.140 2.725 2.536 2.952 . 0 0 "[ . 1 . 2]" 1
1411 1 53 PHE HB3 1 58 LEU MD2 5.140 . 5.140 1.938 1.874 2.050 . 0 0 "[ . 1 . 2]" 1
1412 1 53 PHE HB2 1 58 LEU MD1 5.140 . 5.140 1.844 1.826 1.860 . 0 0 "[ . 1 . 2]" 1
1413 1 53 PHE HB2 1 58 LEU MD2 5.140 . 5.140 2.556 2.274 2.967 . 0 0 "[ . 1 . 2]" 1
1414 1 53 PHE QB 1 56 ASP H 5.270 . 5.270 4.024 3.933 4.140 . 0 0 "[ . 1 . 2]" 1
1415 1 53 PHE QB 1 58 LEU QD 6.150 . 6.150 1.643 1.618 1.673 0.182 13 0 "[ . 1 . 2]" 1
1416 1 53 PHE QB 1 69 LEU MD1 6.430 . 6.430 2.248 2.150 2.341 . 0 0 "[ . 1 . 2]" 1
1417 1 53 PHE H 1 53 PHE HB3 4.090 . 4.090 2.823 2.692 2.909 . 0 0 "[ . 1 . 2]" 1
1418 1 53 PHE H 1 53 PHE HB2 4.090 . 4.090 3.320 3.181 3.415 . 0 0 "[ . 1 . 2]" 1
1419 1 53 PHE H 1 56 ASP H 3.610 . 3.610 2.501 2.379 2.772 . 0 0 "[ . 1 . 2]" 1
1420 1 53 PHE H 1 57 ALA HA 4.490 . 4.490 3.650 3.422 3.944 . 0 0 "[ . 1 . 2]" 1
1421 1 53 PHE H 1 58 LEU MD1 5.840 . 5.840 3.364 3.212 3.533 . 0 0 "[ . 1 . 2]" 1
1422 1 53 PHE H 1 58 LEU MD2 5.840 . 5.840 3.414 3.128 3.778 . 0 0 "[ . 1 . 2]" 1
1423 1 53 PHE H 1 58 LEU QD 6.120 . 6.120 3.009 2.869 3.155 . 0 0 "[ . 1 . 2]" 1
1424 1 53 PHE H 1 58 LEU HG 4.490 . 4.490 2.803 2.543 2.974 . 0 0 "[ . 1 . 2]" 1
1425 1 54 ASN HA 1 54 ASN HD22 5.350 . 5.350 3.951 3.633 4.304 . 0 0 "[ . 1 . 2]" 1
1426 1 54 ASN HA 1 78 SER HB3 3.640 . 3.640 3.060 2.913 3.316 . 0 0 "[ . 1 . 2]" 1
1427 1 54 ASN HA 1 78 SER HB2 4.640 . 4.640 4.622 4.312 4.657 0.017 18 0 "[ . 1 . 2]" 1
1428 1 54 ASN HB3 1 55 GLY H 4.600 . 4.600 4.322 4.256 4.352 . 0 0 "[ . 1 . 2]" 1
1429 1 54 ASN HB3 1 78 SER H 5.380 . 5.380 5.250 4.916 5.387 0.007 1 0 "[ . 1 . 2]" 1
1430 1 54 ASN HB2 1 55 GLY H 4.600 . 4.600 4.461 4.359 4.562 . 0 0 "[ . 1 . 2]" 1
1431 1 54 ASN HB2 1 78 SER H 5.380 . 5.380 4.772 4.224 5.111 . 0 0 "[ . 1 . 2]" 1
1432 1 54 ASN QB 1 55 GLY H 4.820 . 4.820 3.908 3.864 3.937 . 0 0 "[ . 1 . 2]" 1
1433 1 54 ASN QB 1 56 ASP H 5.400 . 5.400 3.923 3.839 4.003 . 0 0 "[ . 1 . 2]" 1
1434 1 54 ASN HD21 1 73 ALA MB 6.100 . 6.100 4.212 3.529 4.771 . 0 0 "[ . 1 . 2]" 1
1435 1 54 ASN HD21 1 77 VAL HA 4.530 . 4.530 3.324 2.543 3.731 . 0 0 "[ . 1 . 2]" 1
1436 1 54 ASN HD21 1 77 VAL MG1 6.400 . 6.400 3.001 2.446 3.406 . 0 0 "[ . 1 . 2]" 1
1437 1 54 ASN HD21 1 77 VAL MG2 6.400 . 6.400 5.129 3.109 5.394 . 0 0 "[ . 1 . 2]" 1
1438 1 54 ASN HD22 1 73 ALA MB 6.100 . 6.100 4.148 3.681 4.886 . 0 0 "[ . 1 . 2]" 1
1439 1 54 ASN HD22 1 77 VAL HA 4.530 . 4.530 2.126 1.982 2.635 . 0 0 "[ . 1 . 2]" 1
1440 1 54 ASN HD22 1 77 VAL MG1 6.400 . 6.400 2.358 1.955 3.046 . 0 0 "[ . 1 . 2]" 1
1441 1 54 ASN HD22 1 77 VAL MG2 6.400 . 6.400 4.469 2.215 5.069 . 0 0 "[ . 1 . 2]" 1
1442 1 54 ASN QD 1 73 ALA MB 6.320 . 6.320 3.693 3.228 4.167 . 0 0 "[ . 1 . 2]" 1
1443 1 54 ASN QD 1 77 VAL HA 4.770 . 4.770 2.083 1.949 2.536 . 0 0 "[ . 1 . 2]" 1
1444 1 54 ASN QD 1 77 VAL QG 6.840 . 6.840 2.184 1.917 2.607 . 0 0 "[ . 1 . 2]" 1
1445 1 54 ASN QD 1 78 SER H 5.020 . 5.020 2.617 2.001 3.424 . 0 0 "[ . 1 . 2]" 1
1446 1 54 ASN H 1 55 GLY H 4.010 . 4.010 2.872 2.768 3.065 . 0 0 "[ . 1 . 2]" 1
1447 1 54 ASN H 1 56 ASP H 4.500 . 4.500 3.922 3.845 4.002 . 0 0 "[ . 1 . 2]" 1
1448 1 54 ASN H 1 78 SER HB3 4.630 . 4.630 3.663 3.264 3.945 . 0 0 "[ . 1 . 2]" 1
1449 1 54 ASN H 1 78 SER HB2 5.500 . 5.500 5.210 4.819 5.418 . 0 0 "[ . 1 . 2]" 1
1450 1 54 ASN H 1 78 SER H 4.290 . 4.290 3.864 3.606 4.164 . 0 0 "[ . 1 . 2]" 1
1451 1 54 ASN H 1 79 MET HA 4.450 . 4.450 2.989 2.753 3.170 . 0 0 "[ . 1 . 2]" 1
1452 1 54 ASN H 1 80 GLU H 4.670 . 4.670 4.291 3.956 4.546 . 0 0 "[ . 1 . 2]" 1
1453 1 55 GLY HA3 1 56 ASP H 3.530 . 3.530 3.449 3.422 3.467 . 0 0 "[ . 1 . 2]" 1
1454 1 55 GLY HA2 1 56 ASP H 3.530 . 3.530 3.051 3.010 3.106 . 0 0 "[ . 1 . 2]" 1
1455 1 55 GLY QA 1 56 ASP H 3.930 . 3.930 2.858 2.837 2.884 . 0 0 "[ . 1 . 2]" 1
1456 1 55 GLY H 1 56 ASP H 3.370 . 3.370 2.601 2.474 2.710 . 0 0 "[ . 1 . 2]" 1
1457 1 56 ASP HA 1 57 ALA MB 5.650 . 5.650 3.984 3.950 4.023 . 0 0 "[ . 1 . 2]" 1
1458 1 56 ASP HA 1 57 ALA H 3.030 . 3.030 2.172 2.152 2.198 . 0 0 "[ . 1 . 2]" 1
1459 1 56 ASP HA 1 58 LEU QD 7.540 . 7.540 4.923 4.624 5.238 . 0 0 "[ . 1 . 2]" 1
1460 1 56 ASP HB3 1 57 ALA H 4.680 . 4.680 4.305 4.202 4.403 . 0 0 "[ . 1 . 2]" 1
1461 1 56 ASP HB2 1 57 ALA H 4.680 . 4.680 4.547 4.462 4.601 . 0 0 "[ . 1 . 2]" 1
1462 1 56 ASP QB 1 57 ALA H 4.930 . 4.930 3.931 3.883 3.981 . 0 0 "[ . 1 . 2]" 1
1463 1 56 ASP H 1 56 ASP HB3 3.070 . 3.070 2.834 2.700 3.023 . 0 0 "[ . 1 . 2]" 1
1464 1 56 ASP H 1 56 ASP HB2 3.070 . 3.070 2.915 2.754 3.041 . 0 0 "[ . 1 . 2]" 1
1465 1 56 ASP H 1 56 ASP QB 3.530 . 3.530 2.552 2.523 2.580 . 0 0 "[ . 1 . 2]" 1
1466 1 56 ASP H 1 57 ALA HA 5.010 . 5.010 4.718 4.653 4.799 . 0 0 "[ . 1 . 2]" 1
1467 1 56 ASP H 1 57 ALA H 4.210 . 4.210 4.015 3.923 4.112 . 0 0 "[ . 1 . 2]" 1
1468 1 56 ASP H 1 58 LEU QD 6.830 . 6.830 4.443 4.130 4.696 . 0 0 "[ . 1 . 2]" 1
1469 1 57 ALA HA 1 58 LEU QB 5.810 . 5.810 4.538 4.466 4.580 . 0 0 "[ . 1 . 2]" 1
1470 1 57 ALA HA 1 58 LEU MD1 6.360 . 6.360 4.801 4.542 5.070 . 0 0 "[ . 1 . 2]" 1
1471 1 57 ALA HA 1 58 LEU MD2 6.360 . 6.360 4.557 4.363 4.832 . 0 0 "[ . 1 . 2]" 1
1472 1 57 ALA HA 1 58 LEU QD 6.420 . 6.420 4.147 4.080 4.280 . 0 0 "[ . 1 . 2]" 1
1473 1 57 ALA MB 1 58 LEU H 5.140 . 5.140 3.240 3.129 3.406 . 0 0 "[ . 1 . 2]" 1
1474 1 57 ALA MB 1 59 GLU HB3 5.590 . 5.590 3.418 3.021 4.094 . 0 0 "[ . 1 . 2]" 1
1475 1 57 ALA MB 1 59 GLU HB2 5.590 . 5.590 3.294 2.596 4.115 . 0 0 "[ . 1 . 2]" 1
1476 1 58 LEU HA 1 61 LEU QD 5.790 . 5.790 1.937 1.705 2.253 0.095 10 0 "[ . 1 . 2]" 1
1477 1 58 LEU HA 1 61 LEU HG 3.920 . 3.920 3.554 2.987 3.926 0.006 11 0 "[ . 1 . 2]" 1
1478 1 58 LEU HA 1 61 LEU H 4.780 . 4.780 4.592 3.921 4.793 0.013 10 0 "[ . 1 . 2]" 1
1479 1 58 LEU QB 1 59 GLU HA 6.160 . 6.160 4.166 4.076 4.216 . 0 0 "[ . 1 . 2]" 1
1480 1 58 LEU QB 1 59 GLU H 4.700 . 4.700 3.662 3.430 3.769 . 0 0 "[ . 1 . 2]" 1
1481 1 58 LEU QB 1 60 GLY H 6.380 . 6.380 5.611 5.200 5.739 . 0 0 "[ . 1 . 2]" 1
1482 1 58 LEU MD1 1 59 GLU H 6.520 . 6.520 5.264 5.142 5.345 . 0 0 "[ . 1 . 2]" 1
1483 1 58 LEU MD1 1 66 CYS HA 5.300 . 5.300 4.039 3.853 4.206 . 0 0 "[ . 1 . 2]" 1
1484 1 58 LEU MD1 1 66 CYS HB3 7.130 . 7.130 4.089 3.699 4.723 . 0 0 "[ . 1 . 2]" 1
1485 1 58 LEU MD1 1 66 CYS HB2 7.130 . 7.130 5.095 4.690 5.308 . 0 0 "[ . 1 . 2]" 1
1486 1 58 LEU MD2 1 59 GLU H 6.520 . 6.520 4.823 4.674 4.953 . 0 0 "[ . 1 . 2]" 1
1487 1 58 LEU MD2 1 66 CYS HA 5.300 . 5.300 3.070 2.659 3.331 . 0 0 "[ . 1 . 2]" 1
1488 1 58 LEU MD2 1 66 CYS HB3 7.130 . 7.130 4.225 3.627 4.890 . 0 0 "[ . 1 . 2]" 1
1489 1 58 LEU MD2 1 66 CYS HB2 7.130 . 7.130 4.778 4.351 5.177 . 0 0 "[ . 1 . 2]" 1
1490 1 58 LEU QD 1 59 GLU H 6.550 . 6.550 4.463 4.369 4.519 . 0 0 "[ . 1 . 2]" 1
1491 1 58 LEU QD 1 66 CYS QB 6.890 . 6.890 3.485 3.169 3.822 . 0 0 "[ . 1 . 2]" 1
1492 1 58 LEU QD 1 79 MET HA 7.540 . 7.540 4.368 4.223 4.530 . 0 0 "[ . 1 . 2]" 1
1493 1 58 LEU QD 1 79 MET HB3 7.540 . 7.540 3.752 3.580 3.864 . 0 0 "[ . 1 . 2]" 1
1494 1 58 LEU H 1 58 LEU HG 5.030 . 5.030 2.245 2.116 2.421 . 0 0 "[ . 1 . 2]" 1
1495 1 58 LEU H 1 59 GLU H 3.950 . 3.950 2.670 2.563 2.791 . 0 0 "[ . 1 . 2]" 1
1496 1 59 GLU HA 1 59 GLU HG3 3.780 . 3.780 2.631 2.073 3.043 . 0 0 "[ . 1 . 2]" 1
1497 1 59 GLU HA 1 59 GLU HG2 3.780 . 3.780 2.757 2.453 3.630 . 0 0 "[ . 1 . 2]" 1
1498 1 59 GLU HA 1 60 GLY HA3 4.540 . 4.540 4.457 4.385 4.505 . 0 0 "[ . 1 . 2]" 1
1499 1 59 GLU HA 1 60 GLY H 3.080 . 3.080 2.195 2.131 2.243 . 0 0 "[ . 1 . 2]" 1
1500 1 59 GLU HA 1 61 LEU H 3.550 . 3.550 3.445 3.319 3.557 0.007 12 0 "[ . 1 . 2]" 1
1501 1 59 GLU HB3 1 60 GLY H 4.570 . 4.570 3.812 3.178 4.280 . 0 0 "[ . 1 . 2]" 1
1502 1 59 GLU HB2 1 60 GLY H 4.570 . 4.570 4.243 4.101 4.437 . 0 0 "[ . 1 . 2]" 1
1503 1 59 GLU QB 1 60 GLY H 4.870 . 4.870 3.534 3.098 3.804 . 0 0 "[ . 1 . 2]" 1
1504 1 59 GLU QB 1 61 LEU H 6.220 . 6.220 4.745 4.555 5.103 . 0 0 "[ . 1 . 2]" 1
1505 1 59 GLU HG3 1 60 GLY H 4.070 . 4.070 3.509 2.075 4.072 0.002 6 0 "[ . 1 . 2]" 1
1506 1 59 GLU HG2 1 60 GLY H 4.070 . 4.070 2.712 2.114 3.915 . 0 0 "[ . 1 . 2]" 1
1507 1 59 GLU QG 1 60 GLY H 4.310 . 4.310 2.508 2.061 3.138 . 0 0 "[ . 1 . 2]" 1
1508 1 59 GLU QG 1 61 LEU H 6.200 . 6.200 4.668 4.438 5.076 . 0 0 "[ . 1 . 2]" 1
1509 1 59 GLU H 1 59 GLU HB3 3.450 . 3.450 2.762 2.397 3.331 . 0 0 "[ . 1 . 2]" 1
1510 1 59 GLU H 1 59 GLU HB2 3.450 . 3.450 2.401 2.092 2.828 . 0 0 "[ . 1 . 2]" 1
1511 1 59 GLU H 1 60 GLY H 4.780 . 4.780 4.561 4.446 4.620 . 0 0 "[ . 1 . 2]" 1
1512 1 59 GLU H 1 61 LEU H 5.000 . 5.000 4.641 4.157 4.901 . 0 0 "[ . 1 . 2]" 1
1513 1 60 GLY HA3 1 61 LEU H 3.510 . 3.510 3.362 3.030 3.495 . 0 0 "[ . 1 . 2]" 1
1514 1 60 GLY HA2 1 61 LEU H 3.520 . 3.520 3.146 2.957 3.469 . 0 0 "[ . 1 . 2]" 1
1515 1 60 GLY H 1 61 LEU QB 6.220 . 6.220 4.796 4.590 5.126 . 0 0 "[ . 1 . 2]" 1
1516 1 60 GLY H 1 61 LEU QD 7.540 . 7.540 4.913 3.650 5.192 . 0 0 "[ . 1 . 2]" 1
1517 1 60 GLY H 1 61 LEU H 3.240 . 3.240 2.688 2.262 2.807 . 0 0 "[ . 1 . 2]" 1
1518 1 61 LEU H 1 61 LEU HB3 3.680 . 3.680 3.629 3.452 3.709 0.029 5 0 "[ . 1 . 2]" 1
1519 1 61 LEU H 1 61 LEU HB2 3.680 . 3.680 2.617 2.328 3.681 0.001 19 0 "[ . 1 . 2]" 1
1520 1 61 LEU H 1 61 LEU HG 4.370 . 4.370 2.858 1.964 3.546 . 0 0 "[ . 1 . 2]" 1
1521 1 61 LEU H 1 62 PRO HD3 5.310 . 5.310 4.808 4.590 5.160 . 0 0 "[ . 1 . 2]" 1
1522 1 61 LEU H 1 62 PRO HD2 5.310 . 5.310 5.060 4.783 5.254 . 0 0 "[ . 1 . 2]" 1
1523 1 61 LEU H 1 62 PRO QD 5.370 . 5.370 4.359 4.308 4.407 . 0 0 "[ . 1 . 2]" 1
1524 1 62 PRO HA 1 63 PHE H 3.520 . 3.520 2.717 2.623 2.815 . 0 0 "[ . 1 . 2]" 1
1525 1 62 PRO HA 1 64 GLN H 4.580 . 4.580 4.475 4.415 4.538 . 0 0 "[ . 1 . 2]" 1
1526 1 62 PRO HB3 1 65 VAL H 4.900 . 4.900 4.835 4.542 4.927 0.027 10 0 "[ . 1 . 2]" 1
1527 1 62 PRO HB2 1 65 VAL H 4.900 . 4.900 3.201 2.857 3.498 . 0 0 "[ . 1 . 2]" 1
1528 1 62 PRO QB 1 63 PHE H 4.840 . 4.840 2.096 1.966 2.267 . 0 0 "[ . 1 . 2]" 1
1529 1 62 PRO QB 1 64 GLN H 5.090 . 5.090 2.397 2.270 2.541 . 0 0 "[ . 1 . 2]" 1
1530 1 62 PRO QB 1 65 VAL H 4.940 . 4.940 3.157 2.829 3.428 . 0 0 "[ . 1 . 2]" 1
1531 1 62 PRO QD 1 65 VAL QG 7.500 . 7.500 2.256 1.948 2.547 . 0 0 "[ . 1 . 2]" 1
1532 1 62 PRO QG 1 63 PHE H 5.570 . 5.570 3.925 3.685 4.134 . 0 0 "[ . 1 . 2]" 1
1533 1 62 PRO QG 1 65 VAL QG 7.650 . 7.650 2.767 1.900 3.379 . 0 0 "[ . 1 . 2]" 1
1534 1 63 PHE HA 1 65 VAL H 5.040 . 5.040 4.286 4.157 4.419 . 0 0 "[ . 1 . 2]" 1
1535 1 63 PHE HA 1 66 CYS HB3 4.650 . 4.650 3.882 3.266 4.285 . 0 0 "[ . 1 . 2]" 1
1536 1 63 PHE HA 1 66 CYS HB2 4.650 . 4.650 2.373 2.075 2.682 . 0 0 "[ . 1 . 2]" 1
1537 1 63 PHE HA 1 66 CYS QB 4.960 . 4.960 2.348 2.062 2.586 . 0 0 "[ . 1 . 2]" 1
1538 1 63 PHE HA 1 66 CYS H 4.170 . 4.170 3.243 3.080 3.373 . 0 0 "[ . 1 . 2]" 1
1539 1 63 PHE HA 1 67 TYR H 4.470 . 4.470 3.649 3.469 3.870 . 0 0 "[ . 1 . 2]" 1
1540 1 63 PHE HB3 1 64 GLN H 4.330 . 4.330 2.986 2.818 3.067 . 0 0 "[ . 1 . 2]" 1
1541 1 63 PHE HB2 1 64 GLN H 4.330 . 4.330 4.044 3.973 4.101 . 0 0 "[ . 1 . 2]" 1
1542 1 63 PHE QB 1 64 GLN H 4.550 . 4.550 2.912 2.767 2.983 . 0 0 "[ . 1 . 2]" 1
1543 1 63 PHE H 1 64 GLN H 4.380 . 4.380 2.122 1.991 2.276 . 0 0 "[ . 1 . 2]" 1
1544 1 63 PHE H 1 65 VAL H 4.150 . 4.150 4.157 4.151 4.162 0.012 8 0 "[ . 1 . 2]" 1
1545 1 64 GLN HA 1 64 GLN QE 5.450 . 5.450 3.736 2.073 4.477 . 0 0 "[ . 1 . 2]" 1
1546 1 64 GLN HA 1 67 TYR QB 5.560 . 5.560 3.106 2.887 3.399 . 0 0 "[ . 1 . 2]" 1
1547 1 64 GLN QB 1 65 VAL H 4.640 . 4.640 2.863 2.323 3.338 . 0 0 "[ . 1 . 2]" 1
1548 1 64 GLN QG 1 65 VAL MG1 6.670 . 6.670 3.905 1.986 4.646 . 0 0 "[ . 1 . 2]" 1
1549 1 64 GLN QG 1 65 VAL MG2 6.670 . 6.670 3.726 1.934 4.811 . 0 0 "[ . 1 . 2]" 1
1550 1 64 GLN QG 1 65 VAL QG 7.050 . 7.050 3.125 1.932 4.190 . 0 0 "[ . 1 . 2]" 1
1551 1 64 GLN QG 1 65 VAL H 5.230 . 5.230 2.769 1.901 3.817 . 0 0 "[ . 1 . 2]" 1
1552 1 64 GLN H 1 64 GLN QB 3.790 . 3.790 2.576 2.448 2.627 . 0 0 "[ . 1 . 2]" 1
1553 1 64 GLN H 1 64 GLN HE21 5.410 . 5.410 3.305 2.021 4.806 . 0 0 "[ . 1 . 2]" 1
1554 1 64 GLN H 1 64 GLN HE22 5.410 . 5.410 4.647 3.732 5.410 0.000 2 0 "[ . 1 . 2]" 1
1555 1 64 GLN H 1 64 GLN QE 5.620 . 5.620 3.205 2.013 4.440 . 0 0 "[ . 1 . 2]" 1
1556 1 64 GLN H 1 64 GLN QG 4.140 . 4.140 1.973 1.928 2.179 . 0 0 "[ . 1 . 2]" 1
1557 1 64 GLN H 1 65 VAL QG 6.740 . 6.740 3.717 3.534 4.067 . 0 0 "[ . 1 . 2]" 1
1558 1 64 GLN H 1 65 VAL H 3.300 . 3.300 2.785 2.720 2.878 . 0 0 "[ . 1 . 2]" 1
1559 1 64 GLN H 1 66 CYS H 4.600 . 4.600 4.213 4.073 4.411 . 0 0 "[ . 1 . 2]" 1
1560 1 64 GLN H 1 67 TYR H 5.080 . 5.080 4.757 4.687 4.801 . 0 0 "[ . 1 . 2]" 1
1561 1 65 VAL HA 1 68 ALA MB 4.350 . 4.350 2.428 2.041 2.692 . 0 0 "[ . 1 . 2]" 1
1562 1 65 VAL HA 1 69 LEU MD2 5.100 . 5.100 3.599 3.486 3.783 . 0 0 "[ . 1 . 2]" 1
1563 1 65 VAL HA 1 69 LEU H 4.680 . 4.680 4.049 3.861 4.229 . 0 0 "[ . 1 . 2]" 1
1564 1 65 VAL HB 1 66 CYS H 3.990 . 3.990 3.293 2.301 3.836 . 0 0 "[ . 1 . 2]" 1
1565 1 65 VAL MG1 1 66 CYS H 5.040 . 5.040 3.589 1.866 3.984 . 0 0 "[ . 1 . 2]" 1
1566 1 65 VAL MG2 1 66 CYS H 5.040 . 5.040 2.494 1.871 3.686 . 0 0 "[ . 1 . 2]" 1
1567 1 65 VAL QG 1 66 CYS HA 6.420 . 6.420 3.334 3.000 3.621 . 0 0 "[ . 1 . 2]" 1
1568 1 65 VAL QG 1 66 CYS H 5.590 . 5.590 2.205 1.858 3.201 . 0 0 "[ . 1 . 2]" 1
1569 1 65 VAL QG 1 68 ALA H 7.060 . 7.060 4.342 4.142 4.465 . 0 0 "[ . 1 . 2]" 1
1570 1 65 VAL QG 1 69 LEU H 7.290 . 7.290 4.363 3.723 4.815 . 0 0 "[ . 1 . 2]" 1
1571 1 65 VAL H 1 65 VAL HB 3.790 . 3.790 3.266 2.578 3.621 . 0 0 "[ . 1 . 2]" 1
1572 1 65 VAL H 1 66 CYS H 3.550 . 3.550 2.663 2.590 2.750 . 0 0 "[ . 1 . 2]" 1
1573 1 65 VAL H 1 68 ALA H 5.030 . 5.030 4.635 4.511 4.753 . 0 0 "[ . 1 . 2]" 1
1574 1 66 CYS HA 1 69 LEU HB3 5.340 . 5.340 4.770 4.650 4.925 . 0 0 "[ . 1 . 2]" 1
1575 1 66 CYS HA 1 69 LEU HB2 5.340 . 5.340 5.009 4.830 5.218 . 0 0 "[ . 1 . 2]" 1
1576 1 66 CYS HA 1 69 LEU QB 5.390 . 5.390 4.347 4.217 4.505 . 0 0 "[ . 1 . 2]" 1
1577 1 66 CYS HA 1 69 LEU MD1 4.530 . 4.530 2.570 2.376 2.794 . 0 0 "[ . 1 . 2]" 1
1578 1 66 CYS HA 1 69 LEU MD2 4.610 . 4.610 1.915 1.888 1.941 . 0 0 "[ . 1 . 2]" 1
1579 1 66 CYS HA 1 69 LEU HG 5.150 . 5.150 2.428 2.254 2.664 . 0 0 "[ . 1 . 2]" 1
1580 1 66 CYS HA 1 69 LEU H 4.430 . 4.430 3.649 3.551 3.821 . 0 0 "[ . 1 . 2]" 1
1581 1 66 CYS HB3 1 67 TYR H 4.130 . 4.130 3.180 2.536 3.461 . 0 0 "[ . 1 . 2]" 1
1582 1 66 CYS HB2 1 67 TYR H 4.130 . 4.130 2.543 2.343 3.219 . 0 0 "[ . 1 . 2]" 1
1583 1 66 CYS QB 1 67 TYR H 4.330 . 4.330 2.401 2.301 2.520 . 0 0 "[ . 1 . 2]" 1
1584 1 66 CYS QB 1 69 LEU MD1 6.930 . 6.930 3.760 3.435 4.040 . 0 0 "[ . 1 . 2]" 1
1585 1 66 CYS QB 1 69 LEU MD2 7.240 . 7.240 3.853 3.789 3.900 . 0 0 "[ . 1 . 2]" 1
1586 1 66 CYS H 1 66 CYS HB3 3.820 . 3.820 3.523 3.183 3.590 . 0 0 "[ . 1 . 2]" 1
1587 1 66 CYS H 1 66 CYS HB2 3.820 . 3.820 2.332 2.070 2.530 . 0 0 "[ . 1 . 2]" 1
1588 1 66 CYS H 1 67 TYR H 4.140 . 4.140 2.824 2.760 2.883 . 0 0 "[ . 1 . 2]" 1
1589 1 67 TYR HA 1 106 VAL QG 6.010 . 6.010 2.405 2.193 2.597 . 0 0 "[ . 1 . 2]" 1
1590 1 67 TYR HA 1 70 PHE HB3 4.730 . 4.730 3.833 3.644 4.089 . 0 0 "[ . 1 . 2]" 1
1591 1 67 TYR HA 1 70 PHE HB2 4.730 . 4.730 2.643 2.522 2.803 . 0 0 "[ . 1 . 2]" 1
1592 1 67 TYR HA 1 70 PHE QB 4.920 . 4.920 2.598 2.482 2.757 . 0 0 "[ . 1 . 2]" 1
1593 1 67 TYR HA 1 70 PHE H 3.920 . 3.920 3.742 3.644 3.869 . 0 0 "[ . 1 . 2]" 1
1594 1 67 TYR HA 1 71 LYS QG 5.370 . 5.370 3.708 3.593 3.890 . 0 0 "[ . 1 . 2]" 1
1595 1 67 TYR HB3 1 68 ALA H 3.970 . 3.970 2.855 2.774 2.907 . 0 0 "[ . 1 . 2]" 1
1596 1 67 TYR HB2 1 68 ALA H 3.970 . 3.970 3.854 3.739 3.976 0.006 6 0 "[ . 1 . 2]" 1
1597 1 67 TYR QB 1 106 VAL QG 7.280 . 7.280 3.607 3.468 3.764 . 0 0 "[ . 1 . 2]" 1
1598 1 67 TYR QB 1 68 ALA H 4.330 . 4.330 2.783 2.720 2.812 . 0 0 "[ . 1 . 2]" 1
1599 1 67 TYR H 1 106 VAL QG 7.230 . 7.230 4.661 4.491 4.899 . 0 0 "[ . 1 . 2]" 1
1600 1 67 TYR H 1 68 ALA MB 5.490 . 5.490 4.279 4.145 4.369 . 0 0 "[ . 1 . 2]" 1
1601 1 67 TYR H 1 68 ALA H 3.660 . 3.660 2.645 2.551 2.702 . 0 0 "[ . 1 . 2]" 1
1602 1 67 TYR H 1 69 LEU H 5.500 . 5.500 4.571 4.518 4.641 . 0 0 "[ . 1 . 2]" 1
1603 1 68 ALA HA 1 71 LYS HA 5.500 . 5.500 5.516 5.507 5.525 0.025 2 0 "[ . 1 . 2]" 1
1604 1 68 ALA HA 1 71 LYS HB3 4.340 . 4.340 4.073 3.966 4.149 . 0 0 "[ . 1 . 2]" 1
1605 1 68 ALA HA 1 71 LYS HB2 3.470 . 3.470 2.639 2.605 2.674 . 0 0 "[ . 1 . 2]" 1
1606 1 68 ALA HA 1 71 LYS HD3 5.500 . 5.500 5.006 4.054 5.517 0.017 11 0 "[ . 1 . 2]" 1
1607 1 68 ALA HA 1 71 LYS HD2 5.500 . 5.500 5.411 5.214 5.523 0.023 6 0 "[ . 1 . 2]" 1
1608 1 68 ALA HA 1 71 LYS QD 5.720 . 5.720 4.546 3.957 4.896 . 0 0 "[ . 1 . 2]" 1
1609 1 68 ALA HA 1 71 LYS QE 6.380 . 6.380 3.942 2.759 5.740 . 0 0 "[ . 1 . 2]" 1
1610 1 68 ALA HA 1 71 LYS QG 5.100 . 5.100 3.999 3.923 4.075 . 0 0 "[ . 1 . 2]" 1
1611 1 68 ALA HA 1 71 LYS H 3.750 . 3.750 3.515 3.458 3.579 . 0 0 "[ . 1 . 2]" 1
1612 1 68 ALA MB 1 69 LEU HA 5.370 . 5.370 3.743 3.691 3.800 . 0 0 "[ . 1 . 2]" 1
1613 1 68 ALA MB 1 69 LEU MD2 5.600 . 5.600 3.470 3.315 3.598 . 0 0 "[ . 1 . 2]" 1
1614 1 68 ALA MB 1 69 LEU HG 4.950 . 4.950 3.983 3.933 4.031 . 0 0 "[ . 1 . 2]" 1
1615 1 68 ALA MB 1 69 LEU H 4.600 . 4.600 2.404 2.326 2.510 . 0 0 "[ . 1 . 2]" 1
1616 1 68 ALA H 1 69 LEU MD2 5.470 . 5.470 4.126 4.055 4.195 . 0 0 "[ . 1 . 2]" 1
1617 1 68 ALA H 1 69 LEU HG 4.510 . 4.510 3.872 3.808 3.931 . 0 0 "[ . 1 . 2]" 1
1618 1 68 ALA H 1 69 LEU H 3.790 . 3.790 2.742 2.697 2.797 . 0 0 "[ . 1 . 2]" 1
1619 1 68 ALA H 1 71 LYS QG 6.080 . 6.080 5.075 5.001 5.144 . 0 0 "[ . 1 . 2]" 1
1620 1 69 LEU HA 1 72 GLY H 4.590 . 4.590 3.181 2.957 3.337 . 0 0 "[ . 1 . 2]" 1
1621 1 69 LEU HB3 1 70 PHE H 4.670 . 4.670 4.097 4.024 4.153 . 0 0 "[ . 1 . 2]" 1
1622 1 69 LEU HB2 1 70 PHE H 4.670 . 4.670 3.613 3.457 3.741 . 0 0 "[ . 1 . 2]" 1
1623 1 69 LEU QB 1 70 PHE H 4.920 . 4.920 3.388 3.268 3.480 . 0 0 "[ . 1 . 2]" 1
1624 1 69 LEU MD1 1 70 PHE HA 5.370 . 5.370 3.300 3.232 3.358 . 0 0 "[ . 1 . 2]" 1
1625 1 69 LEU MD1 1 70 PHE QB 6.770 . 6.770 3.632 3.545 3.688 . 0 0 "[ . 1 . 2]" 1
1626 1 69 LEU MD1 1 70 PHE H 5.200 . 5.200 2.909 2.727 3.028 . 0 0 "[ . 1 . 2]" 1
1627 1 69 LEU MD1 1 73 ALA MB 6.910 . 6.910 4.332 4.092 4.466 . 0 0 "[ . 1 . 2]" 1
1628 1 69 LEU HG 1 70 PHE H 4.420 . 4.420 2.174 2.054 2.280 . 0 0 "[ . 1 . 2]" 1
1629 1 69 LEU H 1 69 LEU HB3 3.950 . 3.950 2.843 2.826 2.872 . 0 0 "[ . 1 . 2]" 1
1630 1 69 LEU H 1 69 LEU HB2 3.950 . 3.950 3.589 3.581 3.594 . 0 0 "[ . 1 . 2]" 1
1631 1 69 LEU H 1 69 LEU MD2 4.540 . 4.540 2.592 2.487 2.681 . 0 0 "[ . 1 . 2]" 1
1632 1 69 LEU H 1 69 LEU HG 3.580 . 3.580 1.916 1.899 1.927 . 0 0 "[ . 1 . 2]" 1
1633 1 69 LEU H 1 70 PHE QB 5.730 . 5.730 4.333 4.269 4.420 . 0 0 "[ . 1 . 2]" 1
1634 1 69 LEU H 1 70 PHE H 4.180 . 4.180 2.565 2.503 2.660 . 0 0 "[ . 1 . 2]" 1
1635 1 69 LEU H 1 71 LYS H 5.020 . 5.020 3.908 3.870 3.948 . 0 0 "[ . 1 . 2]" 1
1636 1 70 PHE HA 1 106 VAL MG1 6.470 . 6.470 4.290 4.046 4.683 . 0 0 "[ . 1 . 2]" 1
1637 1 70 PHE HA 1 106 VAL MG2 6.470 . 6.470 3.776 3.451 4.141 . 0 0 "[ . 1 . 2]" 1
1638 1 70 PHE HA 1 106 VAL QG 6.410 . 6.410 3.538 3.306 3.808 . 0 0 "[ . 1 . 2]" 1
1639 1 70 PHE HA 1 73 ALA MB 4.300 . 4.300 2.717 2.429 2.875 . 0 0 "[ . 1 . 2]" 1
1640 1 70 PHE HA 1 77 VAL QG 7.280 . 7.280 4.015 3.830 4.148 . 0 0 "[ . 1 . 2]" 1
1641 1 70 PHE HB3 1 106 VAL MG1 5.320 . 5.320 2.012 1.918 2.420 . 0 0 "[ . 1 . 2]" 1
1642 1 70 PHE HB3 1 106 VAL MG2 5.320 . 5.320 2.031 1.903 2.294 . 0 0 "[ . 1 . 2]" 1
1643 1 70 PHE HB3 1 71 LYS H 4.040 . 4.040 3.491 3.368 3.579 . 0 0 "[ . 1 . 2]" 1
1644 1 70 PHE HB2 1 106 VAL MG1 5.320 . 5.320 2.382 2.082 2.852 . 0 0 "[ . 1 . 2]" 1
1645 1 70 PHE HB2 1 106 VAL MG2 5.320 . 5.320 3.512 3.319 3.748 . 0 0 "[ . 1 . 2]" 1
1646 1 70 PHE HB2 1 71 LYS H 4.040 . 4.040 3.064 2.968 3.159 . 0 0 "[ . 1 . 2]" 1
1647 1 70 PHE QB 1 106 VAL QG 6.160 . 6.160 1.738 1.643 1.963 0.157 18 0 "[ . 1 . 2]" 1
1648 1 70 PHE QB 1 71 LYS H 4.400 . 4.400 2.877 2.787 2.946 . 0 0 "[ . 1 . 2]" 1
1649 1 70 PHE H 1 106 VAL QG 6.700 . 6.700 3.846 3.647 4.140 . 0 0 "[ . 1 . 2]" 1
1650 1 70 PHE H 1 70 PHE HB3 4.100 . 4.100 3.471 3.432 3.520 . 0 0 "[ . 1 . 2]" 1
1651 1 70 PHE H 1 70 PHE HB2 4.100 . 4.100 2.167 2.132 2.223 . 0 0 "[ . 1 . 2]" 1
1652 1 70 PHE H 1 71 LYS HB2 4.750 . 4.750 4.448 4.346 4.549 . 0 0 "[ . 1 . 2]" 1
1653 1 70 PHE H 1 71 LYS H 3.640 . 3.640 2.504 2.439 2.591 . 0 0 "[ . 1 . 2]" 1
1654 1 70 PHE H 1 72 GLY H 4.980 . 4.980 3.939 3.797 4.094 . 0 0 "[ . 1 . 2]" 1
1655 1 71 LYS HA 1 106 VAL HA 4.320 . 4.320 3.766 3.472 4.307 . 0 0 "[ . 1 . 2]" 1
1656 1 71 LYS HA 1 106 VAL HB 5.290 . 5.290 2.299 2.028 2.565 . 0 0 "[ . 1 . 2]" 1
1657 1 71 LYS HA 1 106 VAL MG1 5.520 . 5.520 3.641 3.388 3.883 . 0 0 "[ . 1 . 2]" 1
1658 1 71 LYS HA 1 106 VAL MG2 5.520 . 5.520 3.637 3.307 4.037 . 0 0 "[ . 1 . 2]" 1
1659 1 71 LYS HA 1 106 VAL QG 5.720 . 5.720 3.231 3.038 3.410 . 0 0 "[ . 1 . 2]" 1
1660 1 71 LYS HA 1 71 LYS QE 5.430 . 5.430 3.913 3.105 4.575 . 0 0 "[ . 1 . 2]" 1
1661 1 71 LYS HA 1 72 GLY H 3.560 . 3.560 3.508 3.482 3.542 . 0 0 "[ . 1 . 2]" 1
1662 1 71 LYS HB3 1 71 LYS QE 4.050 . 4.050 2.360 1.980 3.028 . 0 0 "[ . 1 . 2]" 1
1663 1 71 LYS HB3 1 72 GLY H 4.020 . 4.020 3.423 3.185 3.613 . 0 0 "[ . 1 . 2]" 1
1664 1 71 LYS HB2 1 71 LYS QE 4.950 . 4.950 2.793 2.196 3.682 . 0 0 "[ . 1 . 2]" 1
1665 1 71 LYS HB2 1 72 GLY H 3.770 . 3.770 2.899 2.781 3.000 . 0 0 "[ . 1 . 2]" 1
1666 1 71 LYS HD3 1 106 VAL HA 4.440 . 4.440 3.550 2.675 4.441 0.001 16 0 "[ . 1 . 2]" 1
1667 1 71 LYS HD2 1 106 VAL HA 4.440 . 4.440 3.547 2.732 4.438 . 0 0 "[ . 1 . 2]" 1
1668 1 71 LYS QD 1 106 VAL HA 4.630 . 4.630 2.943 2.614 3.621 . 0 0 "[ . 1 . 2]" 1
1669 1 71 LYS QD 1 106 VAL QG 6.550 . 6.550 3.426 3.159 3.810 . 0 0 "[ . 1 . 2]" 1
1670 1 71 LYS QE 1 106 VAL HA 5.850 . 5.850 4.021 2.999 5.191 . 0 0 "[ . 1 . 2]" 1
1671 1 71 LYS QE 1 106 VAL QG 8.060 . 8.060 3.897 3.569 4.268 . 0 0 "[ . 1 . 2]" 1
1672 1 71 LYS QE 1 72 GLY H 6.280 . 6.280 4.906 4.535 5.454 . 0 0 "[ . 1 . 2]" 1
1673 1 71 LYS QG 1 106 VAL HA 5.110 . 5.110 2.047 1.907 2.376 . 0 0 "[ . 1 . 2]" 1
1674 1 71 LYS QG 1 106 VAL MG1 5.820 . 5.820 2.060 1.907 2.433 . 0 0 "[ . 1 . 2]" 1
1675 1 71 LYS QG 1 106 VAL MG2 5.820 . 5.820 3.616 3.401 3.999 . 0 0 "[ . 1 . 2]" 1
1676 1 71 LYS QG 1 106 VAL QG 6.140 . 6.140 2.047 1.901 2.392 . 0 0 "[ . 1 . 2]" 1
1677 1 71 LYS QG 1 72 GLY H 5.450 . 5.450 4.366 4.331 4.394 . 0 0 "[ . 1 . 2]" 1
1678 1 71 LYS QG 1 73 ALA H 6.380 . 6.380 5.508 5.281 5.690 . 0 0 "[ . 1 . 2]" 1
1679 1 71 LYS H 1 106 VAL HA 5.500 . 5.500 5.218 5.009 5.475 . 0 0 "[ . 1 . 2]" 1
1680 1 71 LYS H 1 106 VAL HB 5.500 . 5.500 3.441 3.206 3.668 . 0 0 "[ . 1 . 2]" 1
1681 1 71 LYS H 1 106 VAL MG1 5.500 . 5.500 3.381 3.003 3.738 . 0 0 "[ . 1 . 2]" 1
1682 1 71 LYS H 1 106 VAL MG2 5.500 . 5.500 4.386 4.105 4.522 . 0 0 "[ . 1 . 2]" 1
1683 1 71 LYS H 1 106 VAL QG 5.680 . 5.680 3.272 2.958 3.567 . 0 0 "[ . 1 . 2]" 1
1684 1 71 LYS H 1 71 LYS HB3 3.670 . 3.670 3.491 3.462 3.524 . 0 0 "[ . 1 . 2]" 1
1685 1 71 LYS H 1 71 LYS HB2 3.320 . 3.320 2.202 2.171 2.237 . 0 0 "[ . 1 . 2]" 1
1686 1 71 LYS H 1 71 LYS QE 5.940 . 5.940 4.443 3.987 5.039 . 0 0 "[ . 1 . 2]" 1
1687 1 71 LYS H 1 71 LYS QG 4.400 . 4.400 3.041 2.923 3.155 . 0 0 "[ . 1 . 2]" 1
1688 1 71 LYS H 1 72 GLY H 3.490 . 3.490 2.340 2.293 2.384 . 0 0 "[ . 1 . 2]" 1
1689 1 71 LYS H 1 73 ALA H 4.400 . 4.400 3.791 3.674 3.977 . 0 0 "[ . 1 . 2]" 1
1690 1 72 GLY HA3 1 73 ALA H 3.560 . 3.560 3.189 2.997 3.424 . 0 0 "[ . 1 . 2]" 1
1691 1 72 GLY HA2 1 73 ALA H 3.560 . 3.560 3.338 3.103 3.478 . 0 0 "[ . 1 . 2]" 1
1692 1 72 GLY QA 1 73 ALA HA 5.420 . 5.420 4.135 4.102 4.163 . 0 0 "[ . 1 . 2]" 1
1693 1 72 GLY QA 1 73 ALA MB 6.640 . 6.640 4.246 4.227 4.266 . 0 0 "[ . 1 . 2]" 1
1694 1 72 GLY QA 1 73 ALA H 3.980 . 3.980 2.879 2.831 2.919 . 0 0 "[ . 1 . 2]" 1
1695 1 72 GLY QA 1 74 ASN HD21 6.000 . 6.000 3.614 3.390 3.760 . 0 0 "[ . 1 . 2]" 1
1696 1 72 GLY H 1 106 VAL QG 7.540 . 7.540 4.904 4.731 5.109 . 0 0 "[ . 1 . 2]" 1
1697 1 72 GLY H 1 73 ALA H 2.940 . 2.940 2.548 2.356 2.687 . 0 0 "[ . 1 . 2]" 1
1698 1 73 ALA HA 1 74 ASN QB 6.070 . 6.070 4.421 4.338 4.501 . 0 0 "[ . 1 . 2]" 1
1699 1 73 ALA HA 1 74 ASN HD21 4.750 . 4.750 3.217 3.119 3.335 . 0 0 "[ . 1 . 2]" 1
1700 1 73 ALA HA 1 74 ASN HD22 5.310 . 5.310 4.230 4.004 4.448 . 0 0 "[ . 1 . 2]" 1
1701 1 73 ALA HA 1 74 ASN H 2.590 . 2.590 2.184 2.156 2.219 . 0 0 "[ . 1 . 2]" 1
1702 1 73 ALA HA 1 75 GLY H 5.500 . 5.500 5.460 5.143 5.513 0.013 4 0 "[ . 1 . 2]" 1
1703 1 73 ALA HA 1 77 VAL MG1 6.520 . 6.520 3.373 3.234 4.603 . 0 0 "[ . 1 . 2]" 1
1704 1 73 ALA HA 1 77 VAL MG2 6.520 . 6.520 5.275 3.072 5.410 . 0 0 "[ . 1 . 2]" 1
1705 1 73 ALA HA 1 77 VAL QG 6.060 . 6.060 3.267 3.029 3.348 . 0 0 "[ . 1 . 2]" 1
1706 1 73 ALA MB 1 74 ASN HD21 6.100 . 6.100 4.282 4.143 4.414 . 0 0 "[ . 1 . 2]" 1
1707 1 73 ALA MB 1 74 ASN H 4.420 . 4.420 3.051 2.855 3.167 . 0 0 "[ . 1 . 2]" 1
1708 1 73 ALA MB 1 77 VAL HA 5.920 . 5.920 4.238 4.129 4.475 . 0 0 "[ . 1 . 2]" 1
1709 1 73 ALA MB 1 77 VAL MG1 5.470 . 5.470 1.731 1.642 2.427 0.158 2 0 "[ . 1 . 2]" 1
1710 1 73 ALA MB 1 77 VAL MG2 5.470 . 5.470 3.105 1.698 3.250 0.102 17 0 "[ . 1 . 2]" 1
1711 1 73 ALA MB 1 77 VAL QG 5.850 . 5.850 1.687 1.636 1.754 0.164 2 0 "[ . 1 . 2]" 1
1712 1 73 ALA H 1 73 ALA MB 3.520 . 3.520 2.067 2.030 2.192 . 0 0 "[ . 1 . 2]" 1
1713 1 73 ALA H 1 74 ASN H 4.580 . 4.580 4.572 4.544 4.608 0.028 17 0 "[ . 1 . 2]" 1
1714 1 73 ALA H 1 77 VAL MG1 6.520 . 6.520 4.452 4.300 5.214 . 0 0 "[ . 1 . 2]" 1
1715 1 73 ALA H 1 77 VAL QG 6.460 . 6.460 4.316 4.217 4.491 . 0 0 "[ . 1 . 2]" 1
1716 1 74 ASN HA 1 74 ASN HB3 2.940 . 2.940 2.426 2.374 2.461 . 0 0 "[ . 1 . 2]" 1
1717 1 74 ASN HA 1 74 ASN HB2 2.940 . 2.940 2.482 2.438 2.537 . 0 0 "[ . 1 . 2]" 1
1718 1 74 ASN HA 1 75 GLY H 2.710 . 2.710 2.178 2.149 2.269 . 0 0 "[ . 1 . 2]" 1
1719 1 74 ASN HA 1 76 LYS H 5.390 . 5.390 4.972 4.727 5.349 . 0 0 "[ . 1 . 2]" 1
1720 1 74 ASN HA 1 77 VAL QG 6.690 . 6.690 3.908 3.537 4.063 . 0 0 "[ . 1 . 2]" 1
1721 1 74 ASN QB 1 75 GLY H 4.640 . 4.640 3.629 3.578 3.797 . 0 0 "[ . 1 . 2]" 1
1722 1 74 ASN HD21 1 75 GLY H 5.500 . 5.500 5.519 5.503 5.557 0.057 13 0 "[ . 1 . 2]" 1
1723 1 74 ASN H 1 74 ASN HD21 4.580 . 4.580 2.828 2.600 3.173 . 0 0 "[ . 1 . 2]" 1
1724 1 74 ASN H 1 74 ASN HD22 4.590 . 4.590 3.664 3.489 3.914 . 0 0 "[ . 1 . 2]" 1
1725 1 74 ASN H 1 77 VAL MG1 6.520 . 6.520 3.478 3.234 4.995 . 0 0 "[ . 1 . 2]" 1
1726 1 74 ASN H 1 77 VAL MG2 6.520 . 6.520 4.992 2.774 5.240 . 0 0 "[ . 1 . 2]" 1
1727 1 74 ASN H 1 77 VAL QG 6.150 . 6.150 3.322 2.760 3.500 . 0 0 "[ . 1 . 2]" 1
1728 1 75 GLY HA3 1 76 LYS H 3.560 . 3.560 3.519 3.456 3.550 . 0 0 "[ . 1 . 2]" 1
1729 1 75 GLY HA3 1 77 VAL QG 7.100 . 7.100 4.979 4.461 5.059 . 0 0 "[ . 1 . 2]" 1
1730 1 75 GLY HA2 1 76 LYS H 2.740 . 2.740 2.338 2.226 2.439 . 0 0 "[ . 1 . 2]" 1
1731 1 75 GLY HA2 1 77 VAL QG 7.030 . 7.030 4.836 4.529 4.996 . 0 0 "[ . 1 . 2]" 1
1732 1 75 GLY H 1 77 VAL MG1 6.520 . 6.520 3.919 3.561 5.473 . 0 0 "[ . 1 . 2]" 1
1733 1 75 GLY H 1 77 VAL MG2 6.520 . 6.520 4.027 3.093 4.170 . 0 0 "[ . 1 . 2]" 1
1734 1 75 GLY H 1 77 VAL QG 6.220 . 6.220 3.490 3.076 3.583 . 0 0 "[ . 1 . 2]" 1
1735 1 76 LYS HA 1 76 LYS QD 4.680 . 4.680 3.114 2.755 3.347 . 0 0 "[ . 1 . 2]" 1
1736 1 76 LYS HA 1 76 LYS QE 4.860 . 4.860 2.493 2.050 3.601 . 0 0 "[ . 1 . 2]" 1
1737 1 76 LYS HA 1 77 VAL QG 6.530 . 6.530 3.343 3.220 4.161 . 0 0 "[ . 1 . 2]" 1
1738 1 76 LYS HA 1 77 VAL H 2.920 . 2.920 2.149 2.128 2.241 . 0 0 "[ . 1 . 2]" 1
1739 1 76 LYS HB3 1 77 VAL H 4.400 . 4.400 4.076 3.961 4.386 . 0 0 "[ . 1 . 2]" 1
1740 1 76 LYS HB2 1 76 LYS QE 4.520 . 4.520 3.405 3.146 4.017 . 0 0 "[ . 1 . 2]" 1
1741 1 76 LYS QG 1 77 VAL HA 5.890 . 5.890 4.661 4.280 4.769 . 0 0 "[ . 1 . 2]" 1
1742 1 76 LYS QG 1 77 VAL H 4.920 . 4.920 3.197 2.943 3.619 . 0 0 "[ . 1 . 2]" 1
1743 1 76 LYS QG 1 78 SER HB3 6.380 . 6.380 5.642 5.320 5.748 . 0 0 "[ . 1 . 2]" 1
1744 1 76 LYS QG 1 78 SER HB2 6.380 . 6.380 4.436 4.247 4.863 . 0 0 "[ . 1 . 2]" 1
1745 1 76 LYS QG 1 78 SER H 6.380 . 6.380 4.915 4.756 5.709 . 0 0 "[ . 1 . 2]" 1
1746 1 76 LYS H 1 76 LYS HB3 3.810 . 3.810 3.844 3.616 3.875 0.065 20 0 "[ . 1 . 2]" 1
1747 1 76 LYS H 1 76 LYS HB2 3.170 . 3.170 3.025 2.984 3.067 . 0 0 "[ . 1 . 2]" 1
1748 1 76 LYS H 1 76 LYS QE 5.830 . 5.830 3.887 3.402 4.888 . 0 0 "[ . 1 . 2]" 1
1749 1 76 LYS H 1 77 VAL QG 6.890 . 6.890 3.636 3.556 4.044 . 0 0 "[ . 1 . 2]" 1
1750 1 76 LYS H 1 77 VAL H 4.050 . 4.050 3.708 3.379 3.849 . 0 0 "[ . 1 . 2]" 1
1751 1 77 VAL HA 1 78 SER HB3 4.930 . 4.930 4.705 4.214 4.919 . 0 0 "[ . 1 . 2]" 1
1752 1 77 VAL HA 1 78 SER HB2 4.990 . 4.990 4.631 4.311 4.937 . 0 0 "[ . 1 . 2]" 1
1753 1 77 VAL HA 1 78 SER H 2.860 . 2.860 2.179 2.159 2.270 . 0 0 "[ . 1 . 2]" 1
1754 1 77 VAL HB 1 78 SER H 4.280 . 4.280 3.671 2.676 4.324 0.044 17 0 "[ . 1 . 2]" 1
1755 1 77 VAL MG1 1 78 SER H 5.400 . 5.400 3.597 2.513 3.725 . 0 0 "[ . 1 . 2]" 1
1756 1 77 VAL MG2 1 78 SER H 5.400 . 5.400 4.295 3.694 4.380 . 0 0 "[ . 1 . 2]" 1
1757 1 77 VAL QG 1 78 SER HA 6.540 . 6.540 4.287 3.448 4.383 . 0 0 "[ . 1 . 2]" 1
1758 1 77 VAL QG 1 78 SER H 5.840 . 5.840 3.420 2.474 3.527 . 0 0 "[ . 1 . 2]" 1
1759 1 77 VAL QG 1 79 MET HA 7.540 . 7.540 5.619 4.670 5.694 . 0 0 "[ . 1 . 2]" 1
1760 1 77 VAL QG 1 79 MET ME 6.360 . 6.360 3.192 2.850 3.406 . 0 0 "[ . 1 . 2]" 1
1761 1 77 VAL QG 1 79 MET QG 6.480 . 6.480 3.449 2.444 3.547 . 0 0 "[ . 1 . 2]" 1
1762 1 77 VAL QG 1 79 MET H 6.550 . 6.550 4.808 4.224 4.886 . 0 0 "[ . 1 . 2]" 1
1763 1 77 VAL H 1 77 VAL HB 3.860 . 3.860 3.530 2.367 3.628 . 0 0 "[ . 1 . 2]" 1
1764 1 77 VAL H 1 78 SER H 4.710 . 4.710 4.159 4.055 4.539 . 0 0 "[ . 1 . 2]" 1
1765 1 78 SER HA 1 79 MET ME 6.350 . 6.350 5.277 4.881 5.358 . 0 0 "[ . 1 . 2]" 1
1766 1 78 SER HA 1 79 MET H 2.950 . 2.950 2.157 2.135 2.218 . 0 0 "[ . 1 . 2]" 1
1767 1 78 SER HB3 1 79 MET H 4.570 . 4.570 4.295 3.840 4.478 . 0 0 "[ . 1 . 2]" 1
1768 1 78 SER HB2 1 79 MET H 4.630 . 4.630 4.396 4.169 4.546 . 0 0 "[ . 1 . 2]" 1
1769 1 78 SER H 1 78 SER HB3 3.560 . 3.560 2.618 2.353 2.848 . 0 0 "[ . 1 . 2]" 1
1770 1 78 SER H 1 78 SER HB2 3.590 . 3.590 2.870 2.654 3.523 . 0 0 "[ . 1 . 2]" 1
1771 1 78 SER H 1 79 MET H 4.560 . 4.560 4.288 4.086 4.436 . 0 0 "[ . 1 . 2]" 1
1772 1 79 MET HA 1 79 MET HG3 4.160 . 4.160 2.876 2.773 3.375 . 0 0 "[ . 1 . 2]" 1
1773 1 79 MET HA 1 79 MET HG2 4.160 . 4.160 3.681 3.601 3.805 . 0 0 "[ . 1 . 2]" 1
1774 1 79 MET HA 1 80 GLU H 3.170 . 3.170 2.156 2.145 2.163 . 0 0 "[ . 1 . 2]" 1
1775 1 79 MET HA 1 81 VAL QG 7.520 . 7.520 4.781 4.716 4.874 . 0 0 "[ . 1 . 2]" 1
1776 1 79 MET HB3 1 81 VAL QG 6.910 . 6.910 3.870 3.748 4.220 . 0 0 "[ . 1 . 2]" 1
1777 1 79 MET HB2 1 81 VAL QG 6.090 . 6.090 3.043 2.914 3.165 . 0 0 "[ . 1 . 2]" 1
1778 1 79 MET QB 1 80 GLU H 4.500 . 4.500 3.243 3.154 3.300 . 0 0 "[ . 1 . 2]" 1
1779 1 79 MET HG3 1 80 GLU H 5.450 . 5.450 4.931 4.870 5.085 . 0 0 "[ . 1 . 2]" 1
1780 1 79 MET HG2 1 80 GLU H 5.450 . 5.450 5.463 5.449 5.476 0.026 2 0 "[ . 1 . 2]" 1
1781 1 79 MET QG 1 80 GLU H 5.680 . 5.680 4.588 4.552 4.673 . 0 0 "[ . 1 . 2]" 1
1782 1 79 MET QG 1 81 VAL QG 7.760 . 7.760 4.488 4.275 4.608 . 0 0 "[ . 1 . 2]" 1
1783 1 79 MET H 1 79 MET HG3 4.220 . 4.220 2.636 1.845 3.036 . 0 0 "[ . 1 . 2]" 1
1784 1 79 MET H 1 79 MET HG2 4.220 . 4.220 3.935 3.389 4.219 . 0 0 "[ . 1 . 2]" 1
1785 1 79 MET H 1 80 GLU H 4.560 . 4.560 4.334 4.247 4.410 . 0 0 "[ . 1 . 2]" 1
1786 1 80 GLU HA 1 81 VAL MG1 5.900 . 5.900 4.426 4.284 4.622 . 0 0 "[ . 1 . 2]" 1
1787 1 80 GLU HA 1 81 VAL MG2 5.900 . 5.900 3.496 3.356 3.530 . 0 0 "[ . 1 . 2]" 1
1788 1 80 GLU HA 1 81 VAL QG 6.380 . 6.380 3.370 3.278 3.411 . 0 0 "[ . 1 . 2]" 1
1789 1 80 GLU HA 1 81 VAL H 3.150 . 3.150 2.148 2.133 2.161 . 0 0 "[ . 1 . 2]" 1
1790 1 80 GLU HB3 1 81 VAL H 4.100 . 4.100 3.982 3.879 4.072 . 0 0 "[ . 1 . 2]" 1
1791 1 80 GLU HB2 1 81 VAL H 4.740 . 4.740 4.610 4.582 4.625 . 0 0 "[ . 1 . 2]" 1
1792 1 80 GLU QG 1 81 VAL H 4.510 . 4.510 3.586 3.466 3.686 . 0 0 "[ . 1 . 2]" 1
1793 1 80 GLU H 1 80 GLU HB3 3.590 . 3.590 3.206 3.131 3.319 . 0 0 "[ . 1 . 2]" 1
1794 1 80 GLU H 1 81 VAL QG 6.860 . 6.860 4.409 4.382 4.457 . 0 0 "[ . 1 . 2]" 1
1795 1 80 GLU H 1 81 VAL H 4.660 . 4.660 4.271 4.235 4.352 . 0 0 "[ . 1 . 2]" 1
1796 1 81 VAL HA 1 82 THR H 3.020 . 3.020 2.198 2.187 2.207 . 0 0 "[ . 1 . 2]" 1
1797 1 81 VAL HB 1 82 THR H 4.260 . 4.260 2.931 2.892 3.029 . 0 0 "[ . 1 . 2]" 1
1798 1 81 VAL QG 1 82 THR HA 6.310 . 6.310 4.269 4.186 4.388 . 0 0 "[ . 1 . 2]" 1
1799 1 81 VAL QG 1 82 THR HB 7.480 . 7.480 5.033 4.916 5.079 . 0 0 "[ . 1 . 2]" 1
1800 1 81 VAL QG 1 82 THR H 5.680 . 5.680 3.199 3.044 3.294 . 0 0 "[ . 1 . 2]" 1
1801 1 81 VAL QG 1 83 ARG HA 7.050 . 7.050 5.287 5.252 5.320 . 0 0 "[ . 1 . 2]" 1
1802 1 81 VAL QG 1 83 ARG H 7.010 . 7.010 4.817 4.701 5.027 . 0 0 "[ . 1 . 2]" 1
1803 1 81 VAL H 1 81 VAL HB 3.810 . 3.810 3.575 3.502 3.598 . 0 0 "[ . 1 . 2]" 1
1804 1 81 VAL H 1 82 THR H 5.230 . 5.230 4.544 4.522 4.552 . 0 0 "[ . 1 . 2]" 1
1805 1 82 THR HA 1 83 ARG H 3.050 . 3.050 2.151 2.139 2.167 . 0 0 "[ . 1 . 2]" 1
1806 1 82 THR HB 1 83 ARG H 4.390 . 4.390 4.294 4.206 4.338 . 0 0 "[ . 1 . 2]" 1
1807 1 82 THR MG 1 83 ARG HA 5.600 . 5.600 3.891 3.763 4.054 . 0 0 "[ . 1 . 2]" 1
1808 1 82 THR MG 1 83 ARG QB 7.090 . 7.090 4.429 4.294 4.760 . 0 0 "[ . 1 . 2]" 1
1809 1 82 THR MG 1 83 ARG H 4.740 . 4.740 2.904 2.755 3.002 . 0 0 "[ . 1 . 2]" 1
1810 1 82 THR MG 1 84 PRO HA 4.940 . 4.940 3.728 3.623 3.807 . 0 0 "[ . 1 . 2]" 1
1811 1 82 THR MG 1 84 PRO QB 6.790 . 6.790 3.687 3.240 4.452 . 0 0 "[ . 1 . 2]" 1
1812 1 82 THR MG 1 84 PRO HD3 4.330 . 4.330 2.597 2.438 2.771 . 0 0 "[ . 1 . 2]" 1
1813 1 82 THR MG 1 84 PRO HD2 5.490 . 5.490 4.124 3.953 4.287 . 0 0 "[ . 1 . 2]" 1
1814 1 82 THR MG 1 84 PRO HG3 5.170 . 5.170 3.749 2.958 4.047 . 0 0 "[ . 1 . 2]" 1
1815 1 82 THR MG 1 84 PRO HG2 6.520 . 6.520 4.813 4.354 4.993 . 0 0 "[ . 1 . 2]" 1
1816 1 82 THR H 1 82 THR HB 3.430 . 3.430 2.500 2.452 2.560 . 0 0 "[ . 1 . 2]" 1
1817 1 82 THR H 1 83 ARG H 4.510 . 4.510 4.353 4.306 4.408 . 0 0 "[ . 1 . 2]" 1
1818 1 83 ARG HA 1 83 ARG HD3 5.300 . 5.300 4.417 3.653 4.873 . 0 0 "[ . 1 . 2]" 1
1819 1 83 ARG HA 1 83 ARG HD2 5.300 . 5.300 4.348 2.707 4.961 . 0 0 "[ . 1 . 2]" 1
1820 1 83 ARG HA 1 84 PRO HB3 5.500 . 5.500 5.227 5.027 5.550 0.050 14 0 "[ . 1 . 2]" 1
1821 1 83 ARG HA 1 84 PRO HB2 5.500 . 5.500 5.343 4.856 5.548 0.048 15 0 "[ . 1 . 2]" 1
1822 1 83 ARG HA 1 84 PRO QB 5.580 . 5.580 4.672 4.563 4.735 . 0 0 "[ . 1 . 2]" 1
1823 1 83 ARG HA 1 84 PRO HG3 4.900 . 4.900 4.470 4.345 4.525 . 0 0 "[ . 1 . 2]" 1
1824 1 83 ARG HA 1 84 PRO HG2 4.560 . 4.560 4.273 4.132 4.471 . 0 0 "[ . 1 . 2]" 1
1825 1 83 ARG H 1 83 ARG HB3 3.810 . 3.810 2.787 2.503 3.721 . 0 0 "[ . 1 . 2]" 1
1826 1 83 ARG H 1 83 ARG HB2 3.810 . 3.810 2.817 2.444 3.693 . 0 0 "[ . 1 . 2]" 1
1827 1 83 ARG H 1 83 ARG HD3 5.500 . 5.500 4.955 4.356 5.366 . 0 0 "[ . 1 . 2]" 1
1828 1 83 ARG H 1 83 ARG HD2 5.500 . 5.500 5.035 4.350 5.512 0.012 14 0 "[ . 1 . 2]" 1
1829 1 83 ARG H 1 83 ARG QD 5.600 . 5.600 4.418 3.998 4.600 . 0 0 "[ . 1 . 2]" 1
1830 1 83 ARG H 1 84 PRO HA 5.500 . 5.500 4.973 4.917 5.023 . 0 0 "[ . 1 . 2]" 1
1831 1 84 PRO HA 1 85 LYS H 2.580 . 2.580 2.561 2.342 2.597 0.017 15 0 "[ . 1 . 2]" 1
1832 1 84 PRO HB3 1 85 LYS H 3.470 . 3.470 3.086 2.533 3.305 . 0 0 "[ . 1 . 2]" 1
1833 1 84 PRO HB2 1 85 LYS H 3.470 . 3.470 2.400 2.104 3.349 . 0 0 "[ . 1 . 2]" 1
1834 1 84 PRO QB 1 85 LYS H 3.890 . 3.890 2.242 2.081 2.737 . 0 0 "[ . 1 . 2]" 1
1835 1 84 PRO HD2 1 85 LYS H 5.500 . 5.500 5.354 5.104 5.499 . 0 0 "[ . 1 . 2]" 1
1836 1 84 PRO HG3 1 85 LYS H 5.210 . 5.210 4.726 4.608 4.841 . 0 0 "[ . 1 . 2]" 1
1837 1 85 LYS HA 1 86 PRO HD3 3.000 . 3.000 2.412 2.356 2.472 . 0 0 "[ . 1 . 2]" 1
1838 1 85 LYS HA 1 86 PRO HD2 3.040 . 3.040 2.483 2.403 2.578 . 0 0 "[ . 1 . 2]" 1
1839 1 85 LYS HB3 1 86 PRO HD2 3.650 . 3.650 2.604 1.986 3.424 . 0 0 "[ . 1 . 2]" 1
1840 1 85 LYS HB2 1 86 PRO HD2 3.650 . 3.650 2.806 1.954 3.651 0.001 4 0 "[ . 1 . 2]" 1
1841 1 85 LYS QB 1 86 PRO HA 5.880 . 5.880 4.600 4.476 4.820 . 0 0 "[ . 1 . 2]" 1
1842 1 85 LYS QB 1 86 PRO HD3 4.640 . 4.640 3.353 3.276 3.439 . 0 0 "[ . 1 . 2]" 1
1843 1 85 LYS QD 1 86 PRO HD2 5.520 . 5.520 4.285 3.738 4.874 . 0 0 "[ . 1 . 2]" 1
1844 1 85 LYS QE 1 86 PRO HD2 5.960 . 5.960 4.977 4.334 5.367 . 0 0 "[ . 1 . 2]" 1
1845 1 85 LYS QG 1 86 PRO QB 7.110 . 7.110 5.392 5.019 5.640 . 0 0 "[ . 1 . 2]" 1
1846 1 85 LYS QG 1 86 PRO HD3 5.530 . 5.530 4.173 3.264 4.889 . 0 0 "[ . 1 . 2]" 1
1847 1 85 LYS QG 1 86 PRO HD2 4.650 . 4.650 3.226 2.280 4.000 . 0 0 "[ . 1 . 2]" 1
1848 1 85 LYS H 1 85 LYS HB3 3.780 . 3.780 3.302 2.533 3.627 . 0 0 "[ . 1 . 2]" 1
1849 1 85 LYS H 1 85 LYS HB2 3.780 . 3.780 2.999 2.173 3.786 0.006 3 0 "[ . 1 . 2]" 1
1850 1 85 LYS H 1 85 LYS QB 3.910 . 3.910 2.594 2.153 3.231 . 0 0 "[ . 1 . 2]" 1
1851 1 85 LYS H 1 85 LYS QE 6.040 . 6.040 4.010 1.966 4.909 . 0 0 "[ . 1 . 2]" 1
1852 1 85 LYS H 1 85 LYS QG 4.070 . 4.070 2.689 1.986 3.548 . 0 0 "[ . 1 . 2]" 1
1853 1 85 LYS H 1 86 PRO HD2 4.900 . 4.900 4.800 4.757 4.848 . 0 0 "[ . 1 . 2]" 1
1854 1 86 PRO HA 1 87 GLY H 2.730 . 2.730 2.441 2.328 2.607 . 0 0 "[ . 1 . 2]" 1
1855 1 86 PRO HB3 1 87 GLY H 3.950 . 3.950 3.402 3.244 3.557 . 0 0 "[ . 1 . 2]" 1
1856 1 86 PRO HB2 1 87 GLY H 3.950 . 3.950 2.539 2.146 2.816 . 0 0 "[ . 1 . 2]" 1
1857 1 86 PRO QB 1 87 GLY H 4.320 . 4.320 2.469 2.117 2.715 . 0 0 "[ . 1 . 2]" 1
1858 1 86 PRO HG2 1 87 GLY QA 5.370 . 5.370 4.470 4.279 4.635 . 0 0 "[ . 1 . 2]" 1
1859 1 86 PRO HG2 1 87 GLY H 4.570 . 4.570 4.374 4.022 4.574 0.004 13 0 "[ . 1 . 2]" 1
1860 1 87 GLY H 1 88 SER H 4.730 . 4.730 3.131 2.021 4.367 . 0 0 "[ . 1 . 2]" 1
1861 1 89 GLY QA 1 90 GLY H 4.040 . 4.040 2.370 2.138 2.812 . 0 0 "[ . 1 . 2]" 1
1862 1 92 GLY QA 1 93 SER H 3.840 . 3.840 2.350 2.111 2.786 . 0 0 "[ . 1 . 2]" 1
1863 1 92 GLY H 1 93 SER H 4.660 . 4.660 3.631 2.038 4.617 . 0 0 "[ . 1 . 2]" 1
1864 1 93 SER HA 1 94 LEU QD 6.200 . 6.200 3.560 2.273 4.397 . 0 0 "[ . 1 . 2]" 1
1865 1 93 SER HA 1 94 LEU H 2.710 . 2.710 2.467 2.223 2.664 . 0 0 "[ . 1 . 2]" 1
1866 1 93 SER QB 1 94 LEU HA 5.280 . 5.280 4.292 4.060 4.580 . 0 0 "[ . 1 . 2]" 1
1867 1 93 SER QB 1 94 LEU HB3 6.380 . 6.380 5.239 4.809 5.753 . 0 0 "[ . 1 . 2]" 1
1868 1 93 SER QB 1 94 LEU HB2 6.380 . 6.380 4.422 3.643 5.545 . 0 0 "[ . 1 . 2]" 1
1869 1 93 SER QB 1 94 LEU H 4.430 . 4.430 2.417 1.970 2.903 . 0 0 "[ . 1 . 2]" 1
1870 1 93 SER QB 1 95 VAL QG 6.940 . 6.940 3.276 2.109 4.451 . 0 0 "[ . 1 . 2]" 1
1871 1 93 SER QB 1 95 VAL H 4.280 . 4.280 2.754 2.159 3.575 . 0 0 "[ . 1 . 2]" 1
1872 1 94 LEU QB 1 95 VAL HA 6.220 . 6.220 4.155 3.828 4.735 . 0 0 "[ . 1 . 2]" 1
1873 1 94 LEU QB 1 95 VAL H 4.070 . 4.070 2.983 2.168 3.799 . 0 0 "[ . 1 . 2]" 1
1874 1 94 LEU QD 1 95 VAL HA 7.540 . 7.540 4.929 4.076 5.401 . 0 0 "[ . 1 . 2]" 1
1875 1 94 LEU H 1 94 LEU QB 3.730 . 3.730 2.276 2.033 2.985 . 0 0 "[ . 1 . 2]" 1
1876 1 94 LEU H 1 94 LEU MD1 5.220 . 5.220 3.298 1.985 4.314 . 0 0 "[ . 1 . 2]" 1
1877 1 94 LEU H 1 94 LEU MD2 5.220 . 5.220 3.735 2.014 4.390 . 0 0 "[ . 1 . 2]" 1
1878 1 94 LEU H 1 95 VAL H 3.280 . 3.280 2.411 1.990 3.334 0.054 7 0 "[ . 1 . 2]" 1
1879 1 95 VAL HA 1 96 PRO HB3 4.930 . 4.930 4.851 4.742 4.952 0.022 19 0 "[ . 1 . 2]" 1
1880 1 95 VAL HA 1 96 PRO HB2 5.500 . 5.500 5.506 5.477 5.532 0.032 7 0 "[ . 1 . 2]" 1
1881 1 95 VAL HA 1 96 PRO HD3 2.660 . 2.660 2.181 1.870 2.369 . 0 0 "[ . 1 . 2]" 1
1882 1 95 VAL HA 1 96 PRO HD2 2.750 . 2.750 2.302 2.053 2.763 0.013 16 0 "[ . 1 . 2]" 1
1883 1 95 VAL HA 1 96 PRO HG3 4.360 . 4.360 4.312 4.049 4.382 0.022 12 0 "[ . 1 . 2]" 1
1884 1 95 VAL HA 1 98 LEU MD1 6.520 . 6.520 5.052 3.451 5.344 . 0 0 "[ . 1 . 2]" 1
1885 1 95 VAL HB 1 96 PRO HD2 4.130 . 4.130 4.020 3.805 4.149 0.019 18 0 "[ . 1 . 2]" 1
1886 1 95 VAL MG1 1 101 ARG HA 6.310 . 6.310 4.778 4.105 5.133 . 0 0 "[ . 1 . 2]" 1
1887 1 95 VAL MG1 1 96 PRO HD3 5.970 . 5.970 4.472 2.759 4.767 . 0 0 "[ . 1 . 2]" 1
1888 1 95 VAL MG2 1 101 ARG HA 6.310 . 6.310 4.446 3.516 5.093 . 0 0 "[ . 1 . 2]" 1
1889 1 95 VAL MG2 1 96 PRO HD3 5.970 . 5.970 3.345 2.694 4.189 . 0 0 "[ . 1 . 2]" 1
1890 1 95 VAL QG 1 101 ARG HA 6.140 . 6.140 4.029 3.361 4.390 . 0 0 "[ . 1 . 2]" 1
1891 1 95 VAL QG 1 101 ARG QB 8.130 . 8.130 5.001 4.527 5.293 . 0 0 "[ . 1 . 2]" 1
1892 1 95 VAL QG 1 96 PRO HD3 5.550 . 5.550 3.172 2.669 3.600 . 0 0 "[ . 1 . 2]" 1
1893 1 95 VAL QG 1 96 PRO HD2 5.360 . 5.360 2.025 1.830 2.499 . 0 0 "[ . 1 . 2]" 1
1894 1 95 VAL QG 1 96 PRO HG3 7.100 . 7.100 4.254 4.006 4.572 . 0 0 "[ . 1 . 2]" 1
1895 1 95 VAL QG 1 96 PRO HG2 6.480 . 6.480 3.510 3.150 3.752 . 0 0 "[ . 1 . 2]" 1
1896 1 95 VAL QG 1 97 ARG H 7.120 . 7.120 3.329 1.834 4.934 . 0 0 "[ . 1 . 2]" 1
1897 1 95 VAL QG 1 98 LEU QB 6.740 . 6.740 3.477 2.739 3.923 . 0 0 "[ . 1 . 2]" 1
1898 1 95 VAL H 1 95 VAL HB 3.220 . 3.220 2.958 2.430 3.248 0.028 2 0 "[ . 1 . 2]" 1
1899 1 96 PRO HB3 1 98 LEU MD1 5.410 . 5.410 3.797 3.154 4.375 . 0 0 "[ . 1 . 2]" 1
1900 1 96 PRO HB3 1 98 LEU MD2 5.840 . 5.840 4.502 3.885 4.735 . 0 0 "[ . 1 . 2]" 1
1901 1 96 PRO HB2 1 97 ARG H 4.230 . 4.230 3.129 1.882 4.260 0.030 3 0 "[ . 1 . 2]" 1
1902 1 96 PRO HB2 1 98 LEU MD1 5.090 . 5.090 2.677 1.861 3.868 . 0 0 "[ . 1 . 2]" 1
1903 1 96 PRO HB2 1 98 LEU MD2 5.590 . 5.590 3.837 2.968 4.190 . 0 0 "[ . 1 . 2]" 1
1904 1 96 PRO HD3 1 98 LEU MD1 5.720 . 5.720 4.098 3.122 4.361 . 0 0 "[ . 1 . 2]" 1
1905 1 96 PRO HD3 1 98 LEU MD2 5.170 . 5.170 3.744 3.186 4.109 . 0 0 "[ . 1 . 2]" 1
1906 1 96 PRO HD2 1 97 ARG H 5.500 . 5.500 4.208 3.031 5.381 . 0 0 "[ . 1 . 2]" 1
1907 1 96 PRO HD2 1 98 LEU QB 5.530 . 5.530 4.130 3.048 4.914 . 0 0 "[ . 1 . 2]" 1
1908 1 96 PRO HD2 1 98 LEU MD1 5.540 . 5.540 3.207 1.768 3.680 0.032 13 0 "[ . 1 . 2]" 1
1909 1 96 PRO HD2 1 98 LEU MD2 4.680 . 4.680 2.644 1.822 3.342 . 0 0 "[ . 1 . 2]" 1
1910 1 96 PRO HD2 1 98 LEU HG 5.500 . 5.500 4.801 3.439 5.522 0.022 15 0 "[ . 1 . 2]" 1
1911 1 96 PRO HG3 1 98 LEU MD1 5.490 . 5.490 2.974 2.556 3.351 . 0 0 "[ . 1 . 2]" 1
1912 1 96 PRO HG3 1 98 LEU MD2 5.460 . 5.460 3.074 2.730 3.483 . 0 0 "[ . 1 . 2]" 1
1913 1 96 PRO HG2 1 97 ARG H 4.770 . 4.770 3.926 3.648 4.651 . 0 0 "[ . 1 . 2]" 1
1914 1 96 PRO HG2 1 98 LEU QB 5.460 . 5.460 3.666 2.933 4.458 . 0 0 "[ . 1 . 2]" 1
1915 1 96 PRO HG2 1 98 LEU MD1 5.410 . 5.410 1.868 1.787 2.163 0.013 16 0 "[ . 1 . 2]" 1
1916 1 96 PRO HG2 1 98 LEU MD2 4.820 . 4.820 2.137 1.861 2.416 . 0 0 "[ . 1 . 2]" 1
1917 1 96 PRO HG2 1 98 LEU HG 4.150 . 4.150 3.543 1.892 4.086 . 0 0 "[ . 1 . 2]" 1
1918 1 97 ARG HA 1 97 ARG QD 4.380 . 4.380 2.883 1.985 3.846 . 0 0 "[ . 1 . 2]" 1
1919 1 97 ARG HA 1 97 ARG HG3 3.890 . 3.890 3.147 2.097 3.822 . 0 0 "[ . 1 . 2]" 1
1920 1 97 ARG HA 1 97 ARG HG2 3.890 . 3.890 2.845 2.072 3.817 . 0 0 "[ . 1 . 2]" 1
1921 1 97 ARG HA 1 97 ARG QG 3.990 . 3.990 2.400 2.052 3.024 . 0 0 "[ . 1 . 2]" 1
1922 1 97 ARG HA 1 98 LEU MD1 5.560 . 5.560 4.103 3.466 4.416 . 0 0 "[ . 1 . 2]" 1
1923 1 97 ARG HA 1 98 LEU H 3.140 . 3.140 2.491 2.337 2.665 . 0 0 "[ . 1 . 2]" 1
1924 1 97 ARG QB 1 98 LEU MD1 6.490 . 6.490 4.115 3.758 4.741 . 0 0 "[ . 1 . 2]" 1
1925 1 97 ARG QB 1 98 LEU H 4.950 . 4.950 3.907 3.824 4.032 . 0 0 "[ . 1 . 2]" 1
1926 1 97 ARG QD 1 98 LEU H 6.040 . 6.040 4.778 3.976 5.407 . 0 0 "[ . 1 . 2]" 1
1927 1 97 ARG H 1 97 ARG QD 5.130 . 5.130 3.802 2.445 4.623 . 0 0 "[ . 1 . 2]" 1
1928 1 97 ARG H 1 97 ARG QG 4.320 . 4.320 3.213 2.593 3.968 . 0 0 "[ . 1 . 2]" 1
1929 1 97 ARG H 1 98 LEU H 3.600 . 3.600 3.313 2.896 3.639 0.039 9 0 "[ . 1 . 2]" 1
1930 1 98 LEU HA 1 98 LEU HG 3.940 . 3.940 3.021 2.602 3.746 . 0 0 "[ . 1 . 2]" 1
1931 1 98 LEU QB 1 99 LEU H 3.970 . 3.970 2.203 1.883 2.703 . 0 0 "[ . 1 . 2]" 1
1932 1 98 LEU H 1 98 LEU QB 3.770 . 3.770 2.358 2.128 2.741 . 0 0 "[ . 1 . 2]" 1
1933 1 98 LEU H 1 98 LEU MD1 4.530 . 4.530 2.590 1.894 3.179 . 0 0 "[ . 1 . 2]" 1
1934 1 98 LEU H 1 98 LEU MD2 4.970 . 4.970 3.228 1.884 3.938 . 0 0 "[ . 1 . 2]" 1
1935 1 99 LEU HA 1 100 ARG H 3.040 . 3.040 2.736 2.465 2.919 . 0 0 "[ . 1 . 2]" 1
1936 1 99 LEU QB 1 100 ARG H 4.210 . 4.210 2.263 1.855 2.909 . 0 0 "[ . 1 . 2]" 1
1937 1 99 LEU QB 1 101 ARG H 5.630 . 5.630 3.464 2.665 4.250 . 0 0 "[ . 1 . 2]" 1
1938 1 99 LEU QB 1 102 ASN QD 6.590 . 6.590 3.663 1.842 5.066 . 0 0 "[ . 1 . 2]" 1
1939 1 99 LEU MD1 1 100 ARG QD 5.990 . 5.990 3.878 2.528 4.489 . 0 0 "[ . 1 . 2]" 1
1940 1 99 LEU MD1 1 100 ARG H 5.240 . 5.240 3.606 2.591 3.948 . 0 0 "[ . 1 . 2]" 1
1941 1 99 LEU MD2 1 100 ARG QD 5.990 . 5.990 2.580 1.858 4.470 . 0 0 "[ . 1 . 2]" 1
1942 1 99 LEU MD2 1 100 ARG H 5.240 . 5.240 2.392 1.883 4.267 . 0 0 "[ . 1 . 2]" 1
1943 1 99 LEU QD 1 100 ARG QB 6.610 . 6.610 3.186 2.254 4.032 . 0 0 "[ . 1 . 2]" 1
1944 1 99 LEU QD 1 100 ARG QD 6.470 . 6.470 2.431 1.850 3.847 . 0 0 "[ . 1 . 2]" 1
1945 1 99 LEU QD 1 100 ARG H 5.740 . 5.740 2.242 1.879 2.785 . 0 0 "[ . 1 . 2]" 1
1946 1 99 LEU QD 1 101 ARG H 6.800 . 6.800 3.646 2.095 4.975 . 0 0 "[ . 1 . 2]" 1
1947 1 99 LEU QD 1 102 ASN QD 7.690 . 7.690 3.038 1.784 4.417 0.016 17 0 "[ . 1 . 2]" 1
1948 1 100 ARG QB 1 101 ARG H 5.310 . 5.310 2.559 1.905 3.902 . 0 0 "[ . 1 . 2]" 1
1949 1 100 ARG QD 1 101 ARG H 6.260 . 6.260 4.163 3.366 5.526 . 0 0 "[ . 1 . 2]" 1
1950 1 100 ARG H 1 100 ARG QD 5.210 . 5.210 2.349 1.909 3.329 . 0 0 "[ . 1 . 2]" 1
1951 1 100 ARG H 1 100 ARG QG 4.770 . 4.770 2.705 1.916 3.674 . 0 0 "[ . 1 . 2]" 1
1952 1 101 ARG HA 1 102 ASN H 3.490 . 3.490 3.312 2.312 3.565 0.075 2 0 "[ . 1 . 2]" 1
1953 1 101 ARG HA 1 103 GLN HG3 5.500 . 5.500 3.692 3.364 4.090 . 0 0 "[ . 1 . 2]" 1
1954 1 101 ARG HA 1 103 GLN HG2 5.500 . 5.500 3.475 2.660 4.370 . 0 0 "[ . 1 . 2]" 1
1955 1 101 ARG HA 1 103 GLN QG 5.690 . 5.690 3.146 2.599 3.672 . 0 0 "[ . 1 . 2]" 1
1956 1 101 ARG QB 1 102 ASN H 4.960 . 4.960 2.868 1.846 4.062 . 0 0 "[ . 1 . 2]" 1
1957 1 101 ARG QD 1 102 ASN H 6.030 . 6.030 3.696 1.982 5.408 . 0 0 "[ . 1 . 2]" 1
1958 1 101 ARG QG 1 102 ASN H 4.710 . 4.710 3.419 1.831 4.149 . 0 0 "[ . 1 . 2]" 1
1959 1 101 ARG QG 1 103 GLN H 5.460 . 5.460 3.881 2.642 4.558 . 0 0 "[ . 1 . 2]" 1
1960 1 102 ASN HA 1 103 GLN H 2.960 . 2.960 2.642 2.226 2.948 . 0 0 "[ . 1 . 2]" 1
1961 1 102 ASN QB 1 103 GLN H 4.850 . 4.850 3.822 3.728 4.027 . 0 0 "[ . 1 . 2]" 1
1962 1 102 ASN QD 1 103 GLN H 6.200 . 6.200 4.928 4.151 5.421 . 0 0 "[ . 1 . 2]" 1
1963 1 102 ASN H 1 103 GLN H 4.370 . 4.370 3.242 2.668 4.174 . 0 0 "[ . 1 . 2]" 1
1964 1 103 GLN HA 1 103 GLN HG3 3.750 . 3.750 3.726 3.657 3.759 0.009 19 0 "[ . 1 . 2]" 1
1965 1 103 GLN HA 1 103 GLN HG2 3.750 . 3.750 2.633 2.428 2.961 . 0 0 "[ . 1 . 2]" 1
1966 1 103 GLN HA 1 104 TYR H 3.040 . 3.040 2.547 2.446 2.601 . 0 0 "[ . 1 . 2]" 1
1967 1 103 GLN QB 1 104 TYR H 4.600 . 4.600 2.058 1.961 2.248 . 0 0 "[ . 1 . 2]" 1
1968 1 103 GLN QB 1 105 TRP H 6.380 . 6.380 4.400 4.357 4.425 . 0 0 "[ . 1 . 2]" 1
1969 1 103 GLN QG 1 104 TYR H 5.500 . 5.500 4.032 3.950 4.148 . 0 0 "[ . 1 . 2]" 1
1970 1 103 GLN H 1 103 GLN QE 6.200 . 6.200 4.798 4.178 5.418 . 0 0 "[ . 1 . 2]" 1
1971 1 103 GLN H 1 103 GLN HG3 4.020 . 4.020 3.694 3.103 4.104 0.084 8 0 "[ . 1 . 2]" 1
1972 1 103 GLN H 1 103 GLN HG2 4.020 . 4.020 2.832 2.264 3.458 . 0 0 "[ . 1 . 2]" 1
1973 1 103 GLN H 1 103 GLN QG 4.340 . 4.340 2.738 2.240 3.275 . 0 0 "[ . 1 . 2]" 1
1974 1 103 GLN H 1 104 TYR H 4.610 . 4.610 4.464 4.395 4.547 . 0 0 "[ . 1 . 2]" 1
1975 1 104 TYR HA 1 105 TRP H 3.140 . 3.140 2.208 2.192 2.216 . 0 0 "[ . 1 . 2]" 1
1976 1 104 TYR QB 1 105 TRP H 5.090 . 5.090 3.954 3.932 3.972 . 0 0 "[ . 1 . 2]" 1
1977 1 104 TYR H 1 104 TYR HB3 3.940 . 3.940 2.781 2.693 2.890 . 0 0 "[ . 1 . 2]" 1
1978 1 104 TYR H 1 104 TYR HB2 3.940 . 3.940 2.411 2.325 2.500 . 0 0 "[ . 1 . 2]" 1
1979 1 104 TYR H 1 105 TRP H 4.560 . 4.560 4.141 4.127 4.159 . 0 0 "[ . 1 . 2]" 1
1980 1 105 TRP HA 1 106 VAL HA 5.150 . 5.150 4.356 4.343 4.375 . 0 0 "[ . 1 . 2]" 1
1981 1 105 TRP HA 1 106 VAL MG1 6.220 . 6.220 3.778 3.574 3.996 . 0 0 "[ . 1 . 2]" 1
1982 1 105 TRP HA 1 106 VAL MG2 6.220 . 6.220 3.744 3.623 3.878 . 0 0 "[ . 1 . 2]" 1
1983 1 105 TRP HA 1 106 VAL QG 6.530 . 6.530 3.347 3.280 3.413 . 0 0 "[ . 1 . 2]" 1
1984 1 105 TRP HA 1 106 VAL H 3.210 . 3.210 2.181 2.150 2.244 . 0 0 "[ . 1 . 2]" 1
1985 1 105 TRP HB3 1 106 VAL H 4.240 . 4.240 3.112 2.896 3.346 . 0 0 "[ . 1 . 2]" 1
1986 1 105 TRP HB2 1 106 VAL H 4.240 . 4.240 3.954 3.851 4.111 . 0 0 "[ . 1 . 2]" 1
1987 1 105 TRP QB 1 106 VAL H 4.540 . 4.540 3.002 2.817 3.207 . 0 0 "[ . 1 . 2]" 1
1988 1 105 TRP H 1 105 TRP HB3 3.770 . 3.770 3.696 3.665 3.721 . 0 0 "[ . 1 . 2]" 1
1989 1 105 TRP H 1 105 TRP HB2 3.770 . 3.770 2.650 2.566 2.733 . 0 0 "[ . 1 . 2]" 1
1990 1 105 TRP H 1 106 VAL QG 7.540 . 7.540 4.859 4.623 4.997 . 0 0 "[ . 1 . 2]" 1
1991 1 105 TRP H 1 106 VAL H 4.720 . 4.720 4.495 4.431 4.545 . 0 0 "[ . 1 . 2]" 1
1992 1 106 VAL H 1 106 VAL MG1 4.740 . 4.740 2.561 2.346 2.744 . 0 0 "[ . 1 . 2]" 1
1993 1 106 VAL H 1 106 VAL MG2 4.740 . 4.740 2.029 1.914 2.164 . 0 0 "[ . 1 . 2]" 1
1994 1 2 GLU QB 1 4 PHE QD 5.000 . 8.000 4.172 4.106 4.301 . 0 0 "[ . 1 . 2]" 1
1995 1 2 GLU QB 1 4 PHE QE 5.000 . 8.000 5.358 5.305 5.486 . 0 0 "[ . 1 . 2]" 1
1996 1 2 GLU QG 1 4 PHE QD 3.500 . 6.500 4.401 4.032 4.621 . 0 0 "[ . 1 . 2]" 1
1997 1 2 GLU QG 1 4 PHE QE 5.000 . 8.000 5.938 5.704 6.135 . 0 0 "[ . 1 . 2]" 1
1998 1 3 LYS HA 1 4 PHE QD 3.500 . 5.500 3.417 3.181 3.622 . 0 0 "[ . 1 . 2]" 1
1999 1 3 LYS HA 1 4 PHE QE 5.000 . 7.000 5.068 4.893 5.262 . 0 0 "[ . 1 . 2]" 1
2000 1 4 PHE HA 1 4 PHE QD 2.900 . 4.900 3.730 3.711 3.739 . 0 0 "[ . 1 . 2]" 1
2001 1 4 PHE HA 1 4 PHE QE 5.000 . 7.000 5.639 5.627 5.649 . 0 0 "[ . 1 . 2]" 1
2002 1 4 PHE QB 1 4 PHE QD 2.900 . 5.900 2.125 2.121 2.130 . 0 0 "[ . 1 . 2]" 1
2003 1 4 PHE QD 1 43 LYS HA 5.000 . 7.000 4.608 4.409 4.868 . 0 0 "[ . 1 . 2]" 1
2004 1 4 PHE QD 1 43 LYS QB 5.000 . 8.000 3.866 3.757 3.953 . 0 0 "[ . 1 . 2]" 1
2005 1 4 PHE QD 1 43 LYS QD 2.900 . 5.900 2.823 2.501 3.052 . 0 0 "[ . 1 . 2]" 1
2006 1 4 PHE QD 1 43 LYS QE 3.500 . 6.500 2.149 1.970 2.768 . 0 0 "[ . 1 . 2]" 1
2007 1 4 PHE QD 1 43 LYS QG 3.500 . 6.500 4.438 4.302 4.589 . 0 0 "[ . 1 . 2]" 1
2008 1 4 PHE QD 1 44 LEU QD 2.900 . 7.300 4.492 4.444 4.697 . 0 0 "[ . 1 . 2]" 1
2009 1 4 PHE QD 1 5 ASN HA 5.000 . 7.000 4.172 3.964 4.439 . 0 0 "[ . 1 . 2]" 1
2010 1 4 PHE QD 1 6 VAL HA 5.000 . 7.000 3.940 3.868 4.109 . 0 0 "[ . 1 . 2]" 1
2011 1 4 PHE QD 1 6 VAL HB 5.000 . 7.000 5.523 5.407 5.692 . 0 0 "[ . 1 . 2]" 1
2012 1 4 PHE QD 1 6 VAL QG 2.900 . 7.300 2.784 2.597 2.897 . 0 0 "[ . 1 . 2]" 1
2013 1 4 PHE QD 1 81 VAL HB 3.500 . 5.500 4.615 4.101 4.773 . 0 0 "[ . 1 . 2]" 1
2014 1 4 PHE QD 1 81 VAL QG 2.900 . 7.300 2.834 2.784 2.886 . 0 0 "[ . 1 . 2]" 1
2015 1 4 PHE QE 1 43 LYS HA 5.000 . 7.000 2.929 2.644 3.221 . 0 0 "[ . 1 . 2]" 1
2016 1 4 PHE QE 1 43 LYS QB 3.500 . 6.500 1.694 1.605 1.769 0.195 4 0 "[ . 1 . 2]" 1
2017 1 4 PHE QE 1 43 LYS QD 2.900 . 5.900 1.906 1.772 1.978 0.028 14 0 "[ . 1 . 2]" 1
2018 1 4 PHE QE 1 43 LYS QE 3.500 . 6.500 2.371 2.175 3.475 . 0 0 "[ . 1 . 2]" 1
2019 1 4 PHE QE 1 43 LYS QG 3.500 . 6.500 3.284 3.160 3.354 . 0 0 "[ . 1 . 2]" 1
2020 1 4 PHE QE 1 44 LEU QD 2.900 . 7.300 3.074 2.982 3.193 . 0 0 "[ . 1 . 2]" 1
2021 1 4 PHE QE 1 6 VAL HA 5.000 . 7.000 3.570 3.418 3.816 . 0 0 "[ . 1 . 2]" 1
2022 1 4 PHE QE 1 6 VAL HB 3.500 . 5.500 4.469 4.389 4.726 . 0 0 "[ . 1 . 2]" 1
2023 1 4 PHE QE 1 6 VAL QG 2.900 . 7.300 1.858 1.783 2.066 0.017 16 0 "[ . 1 . 2]" 1
2024 1 4 PHE QE 1 81 VAL HB 3.500 . 5.500 3.507 2.983 3.732 . 0 0 "[ . 1 . 2]" 1
2025 1 4 PHE QE 1 81 VAL QG 2.900 . 7.300 2.300 2.227 2.356 . 0 0 "[ . 1 . 2]" 1
2026 1 4 PHE QE 1 82 THR HA 5.000 . 7.000 5.398 5.135 5.574 . 0 0 "[ . 1 . 2]" 1
2027 1 4 PHE QE 1 83 ARG QD 5.000 . 8.000 4.163 2.013 5.387 . 0 0 "[ . 1 . 2]" 1
2028 1 4 PHE HZ 1 43 LYS QE 5.000 . 6.000 4.350 4.093 5.434 . 0 0 "[ . 1 . 2]" 1
2029 1 4 PHE HZ 1 44 LEU QD 2.900 . 5.300 2.332 2.099 2.726 . 0 0 "[ . 1 . 2]" 1
2030 1 4 PHE HZ 1 6 VAL QG 2.900 . 5.300 2.624 2.591 2.684 . 0 0 "[ . 1 . 2]" 1
2031 1 4 PHE HZ 1 81 VAL HB 5.000 . 5.000 4.480 4.246 4.580 . 0 0 "[ . 1 . 2]" 1
2032 1 4 PHE HZ 1 81 VAL QG 2.900 . 5.300 2.286 2.247 2.354 . 0 0 "[ . 1 . 2]" 1
2033 1 8 LEU QD 1 37 TYR QD 2.900 . 7.300 2.928 2.572 3.153 . 0 0 "[ . 1 . 2]" 1
2034 1 8 LEU QD 1 37 TYR QE 2.900 . 7.300 2.779 2.516 3.028 . 0 0 "[ . 1 . 2]" 1
2035 1 8 LEU HG 1 37 TYR QD 3.500 . 5.500 3.695 3.418 3.933 . 0 0 "[ . 1 . 2]" 1
2036 1 9 MET QB 1 37 TYR QE 2.900 . 5.900 4.020 3.834 4.179 . 0 0 "[ . 1 . 2]" 1
2037 1 9 MET QB 1 37 TYR QD 3.500 . 6.500 5.217 5.141 5.342 . 0 0 "[ . 1 . 2]" 1
2038 1 10 LYS HA 1 37 TYR QD 5.000 . 7.000 5.423 5.016 5.696 . 0 0 "[ . 1 . 2]" 1
2039 1 10 LYS HA 1 37 TYR QE 2.900 . 4.900 3.464 2.899 3.823 . 0 0 "[ . 1 . 2]" 1
2040 1 11 LYS QE 1 37 TYR QD 5.000 . 8.000 6.347 5.973 6.547 . 0 0 "[ . 1 . 2]" 1
2041 1 11 LYS QE 1 37 TYR QE 5.000 . 8.000 4.487 4.042 4.791 . 0 0 "[ . 1 . 2]" 1
2042 1 14 LYS QB 1 37 TYR QE 2.900 . 5.900 4.519 2.746 4.809 . 0 0 "[ . 1 . 2]" 1
2043 1 14 LYS QB 1 37 TYR QD 5.000 . 8.000 5.874 4.742 6.173 . 0 0 "[ . 1 . 2]" 1
2044 1 14 LYS QD 1 37 TYR QD 3.500 . 6.500 5.032 4.728 5.463 . 0 0 "[ . 1 . 2]" 1
2045 1 14 LYS QD 1 37 TYR QE 2.900 . 5.900 3.539 3.208 4.338 . 0 0 "[ . 1 . 2]" 1
2046 1 14 LYS QG 1 37 TYR QD 3.500 . 6.500 4.990 4.893 5.254 . 0 0 "[ . 1 . 2]" 1
2047 1 14 LYS QG 1 37 TYR QE 2.900 . 5.900 3.229 2.970 4.409 . 0 0 "[ . 1 . 2]" 1
2048 1 15 GLU HA 1 37 TYR QE 3.500 . 5.500 4.557 4.414 4.761 . 0 0 "[ . 1 . 2]" 1
2049 1 15 GLU QB 1 37 TYR QD 3.500 . 6.500 2.733 2.565 2.870 . 0 0 "[ . 1 . 2]" 1
2050 1 15 GLU QB 1 37 TYR QE 5.000 . 8.000 2.650 2.577 2.700 . 0 0 "[ . 1 . 2]" 1
2051 1 16 LEU HA 1 37 TYR QD 2.900 . 4.900 1.974 1.863 2.278 . 0 0 "[ . 1 . 2]" 1
2052 1 16 LEU HA 1 37 TYR QE 2.900 . 4.900 2.957 2.795 3.201 . 0 0 "[ . 1 . 2]" 1
2053 1 16 LEU QD 1 37 TYR QD 2.900 . 7.300 3.066 2.717 3.621 . 0 0 "[ . 1 . 2]" 1
2054 1 16 LEU QD 1 37 TYR QE 2.900 . 7.300 2.919 1.828 3.758 . 0 0 "[ . 1 . 2]" 1
2055 1 17 GLY QA 1 105 TRP HE3 5.000 . 6.000 2.189 2.062 2.531 . 0 0 "[ . 1 . 2]" 1
2056 1 17 GLY QA 1 105 TRP HZ3 5.000 . 6.000 3.141 2.683 3.773 . 0 0 "[ . 1 . 2]" 1
2057 1 18 LEU HA 1 105 TRP HZ3 5.000 . 5.000 2.424 2.178 2.871 . 0 0 "[ . 1 . 2]" 1
2058 1 18 LEU QD 1 70 PHE QD 2.900 . 7.300 2.783 2.145 3.323 . 0 0 "[ . 1 . 2]" 1
2059 1 19 SER HA 1 105 TRP HE3 5.000 . 5.000 3.786 3.645 3.876 . 0 0 "[ . 1 . 2]" 1
2060 1 19 SER QB 1 105 TRP HE3 3.500 . 4.500 3.792 3.619 3.908 . 0 0 "[ . 1 . 2]" 1
2061 1 19 SER QB 1 105 TRP HH2 3.500 . 4.500 3.735 3.517 3.942 . 0 0 "[ . 1 . 2]" 1
2062 1 19 SER QB 1 105 TRP HZ2 5.000 . 6.000 4.032 3.852 4.212 . 0 0 "[ . 1 . 2]" 1
2063 1 19 SER QB 1 105 TRP HZ3 3.500 . 4.500 3.649 3.379 3.782 . 0 0 "[ . 1 . 2]" 1
2064 1 20 LEU HA 1 63 PHE QE 5.000 . 7.000 4.109 3.596 4.740 . 0 0 "[ . 1 . 2]" 1
2065 1 20 LEU HA 1 63 PHE HZ 5.000 . 5.000 4.579 4.196 5.004 0.004 4 0 "[ . 1 . 2]" 1
2066 1 20 LEU QB 1 63 PHE QE 5.000 . 8.000 1.912 1.791 2.335 0.009 6 0 "[ . 1 . 2]" 1
2067 1 20 LEU QB 1 63 PHE HZ 5.000 . 6.000 2.271 1.966 2.920 . 0 0 "[ . 1 . 2]" 1
2068 1 20 LEU QB 1 70 PHE QD 2.900 . 5.900 4.716 4.379 4.995 . 0 0 "[ . 1 . 2]" 1
2069 1 20 LEU QD 1 63 PHE QE 3.500 . 7.900 3.120 2.253 3.768 . 0 0 "[ . 1 . 2]" 1
2070 1 20 LEU QD 1 63 PHE HZ 5.000 . 7.400 3.531 2.846 4.407 . 0 0 "[ . 1 . 2]" 1
2071 1 20 LEU QD 1 67 TYR QD 3.500 . 7.900 3.131 2.654 3.685 . 0 0 "[ . 1 . 2]" 1
2072 1 20 LEU QD 1 67 TYR QE 3.500 . 7.900 4.075 3.559 4.492 . 0 0 "[ . 1 . 2]" 1
2073 1 20 LEU QD 1 70 PHE QD 2.900 . 7.300 2.827 2.462 3.381 . 0 0 "[ . 1 . 2]" 1
2074 1 20 LEU HG 1 63 PHE QE 5.000 . 7.000 3.986 3.183 4.797 . 0 0 "[ . 1 . 2]" 1
2075 1 20 LEU HG 1 63 PHE HZ 5.000 . 5.000 4.650 3.946 5.012 0.012 6 0 "[ . 1 . 2]" 1
2076 1 22 PRO HA 1 63 PHE QD 3.500 . 5.500 2.970 1.975 4.071 . 0 0 "[ . 1 . 2]" 1
2077 1 22 PRO HA 1 63 PHE QE 5.000 . 7.000 4.679 3.872 5.626 . 0 0 "[ . 1 . 2]" 1
2078 1 27 CYS HA 1 63 PHE QD 5.000 . 7.000 4.042 3.208 5.071 . 0 0 "[ . 1 . 2]" 1
2079 1 27 CYS HA 1 63 PHE QE 5.000 . 7.000 4.590 3.756 5.943 . 0 0 "[ . 1 . 2]" 1
2080 1 31 ASP QB 1 105 TRP HE3 5.000 . 6.000 5.270 5.092 5.429 . 0 0 "[ . 1 . 2]" 1
2081 1 31 ASP QB 1 105 TRP HH2 3.500 . 4.500 2.592 2.392 2.886 . 0 0 "[ . 1 . 2]" 1
2082 1 31 ASP QB 1 105 TRP HZ2 5.000 . 6.000 3.296 3.003 3.720 . 0 0 "[ . 1 . 2]" 1
2083 1 31 ASP QB 1 105 TRP HZ3 3.500 . 4.500 3.976 3.856 4.112 . 0 0 "[ . 1 . 2]" 1
2084 1 32 LEU HA 1 105 TRP HE3 5.000 . 5.000 4.136 3.994 4.297 . 0 0 "[ . 1 . 2]" 1
2085 1 32 LEU HA 1 105 TRP HH2 5.000 . 5.000 2.760 2.719 2.807 . 0 0 "[ . 1 . 2]" 1
2086 1 32 LEU HA 1 105 TRP HZ2 5.000 . 5.000 5.071 5.052 5.089 0.089 6 0 "[ . 1 . 2]" 1
2087 1 32 LEU HA 1 105 TRP HZ3 5.000 . 5.000 1.793 1.700 1.908 0.100 7 0 "[ . 1 . 2]" 1
2088 1 33 ILE HB 1 105 TRP HZ2 5.000 . 5.000 5.153 5.121 5.192 0.192 16 0 "[ . 1 . 2]" 1
2089 1 33 ILE HB 1 105 TRP HZ3 5.000 . 5.000 5.047 5.003 5.122 0.122 16 0 "[ . 1 . 2]" 1
2090 1 33 ILE MD 1 105 TRP HE3 5.000 . 6.500 3.108 2.867 3.497 . 0 0 "[ . 1 . 2]" 1
2091 1 33 ILE MD 1 105 TRP HH2 5.000 . 6.500 4.001 3.833 4.130 . 0 0 "[ . 1 . 2]" 1
2092 1 33 ILE MD 1 105 TRP HZ2 3.500 . 5.000 4.007 3.927 4.078 . 0 0 "[ . 1 . 2]" 1
2093 1 33 ILE MD 1 105 TRP HZ3 3.500 . 5.000 3.573 3.346 3.706 . 0 0 "[ . 1 . 2]" 1
2094 1 33 ILE QG 1 105 TRP HE3 5.000 . 6.000 3.277 3.013 4.048 . 0 0 "[ . 1 . 2]" 1
2095 1 33 ILE QG 1 105 TRP HH2 5.000 . 6.000 3.457 3.293 4.013 . 0 0 "[ . 1 . 2]" 1
2096 1 33 ILE QG 1 105 TRP HZ2 5.000 . 6.000 4.591 4.420 5.179 . 0 0 "[ . 1 . 2]" 1
2097 1 33 ILE QG 1 105 TRP HZ3 3.500 . 4.500 2.536 2.421 3.185 . 0 0 "[ . 1 . 2]" 1
2098 1 33 ILE MG 1 105 TRP HE3 3.500 . 5.000 3.970 3.836 4.051 . 0 0 "[ . 1 . 2]" 1
2099 1 33 ILE MG 1 105 TRP HH2 2.900 . 4.400 2.059 1.904 2.166 . 0 0 "[ . 1 . 2]" 1
2100 1 33 ILE MG 1 105 TRP HZ2 2.900 . 4.400 2.331 2.289 2.445 . 0 0 "[ . 1 . 2]" 1
2101 1 33 ILE MG 1 105 TRP HZ3 2.900 . 4.400 3.254 2.967 3.351 . 0 0 "[ . 1 . 2]" 1
2102 1 36 GLN QB 1 37 TYR QD 2.900 . 5.900 3.942 3.806 4.193 . 0 0 "[ . 1 . 2]" 1
2103 1 36 GLN QB 1 37 TYR QE 5.000 . 8.000 5.048 4.878 5.323 . 0 0 "[ . 1 . 2]" 1
2104 1 36 GLN QG 1 37 TYR QD 3.500 . 6.500 5.219 4.840 5.371 . 0 0 "[ . 1 . 2]" 1
2105 1 36 GLN QG 1 37 TYR QE 5.000 . 8.000 6.008 5.689 6.348 . 0 0 "[ . 1 . 2]" 1
2106 1 37 TYR HA 1 37 TYR QE 5.000 . 7.000 4.128 4.100 4.160 . 0 0 "[ . 1 . 2]" 1
2107 1 37 TYR QB 1 37 TYR QD 2.900 . 5.900 2.222 2.206 2.252 . 0 0 "[ . 1 . 2]" 1
2108 1 36 GLN HA 1 37 TYR QD 3.500 . 5.500 5.280 5.242 5.312 . 0 0 "[ . 1 . 2]" 1
2109 1 37 TYR QD 1 40 ILE MD 2.900 . 6.400 1.825 1.792 1.900 0.008 13 0 "[ . 1 . 2]" 1
2110 1 37 TYR QD 1 40 ILE QG 2.900 . 5.900 2.925 2.777 3.039 . 0 0 "[ . 1 . 2]" 1
2111 1 36 GLN HA 1 37 TYR QE 5.000 . 7.000 6.315 6.225 6.412 . 0 0 "[ . 1 . 2]" 1
2112 1 37 TYR QE 1 40 ILE MD 2.900 . 6.400 3.453 3.338 3.577 . 0 0 "[ . 1 . 2]" 1
2113 1 37 TYR QE 1 40 ILE QG 2.900 . 5.900 4.677 4.589 4.746 . 0 0 "[ . 1 . 2]" 1
2114 1 50 ILE MG 1 53 PHE QD 3.500 . 7.000 3.065 2.957 3.315 . 0 0 "[ . 1 . 2]" 1
2115 1 50 ILE MG 1 70 PHE QD 2.900 . 6.400 4.436 4.240 4.669 . 0 0 "[ . 1 . 2]" 1
2116 1 50 ILE MG 1 70 PHE HZ 2.900 . 4.400 1.880 1.836 1.979 . 0 0 "[ . 1 . 2]" 1
2117 1 53 PHE QB 1 53 PHE QD 2.900 . 5.900 2.119 2.115 2.120 . 0 0 "[ . 1 . 2]" 1
2118 1 53 PHE QB 1 70 PHE QD 3.500 . 6.500 4.507 4.085 4.857 . 0 0 "[ . 1 . 2]" 1
2119 1 53 PHE QB 1 70 PHE HZ 3.500 . 4.500 3.617 3.599 3.629 . 0 0 "[ . 1 . 2]" 1
2120 1 53 PHE QD 1 54 ASN QB 5.000 . 8.000 2.493 2.289 2.720 . 0 0 "[ . 1 . 2]" 1
2121 1 53 PHE QD 1 58 LEU QD 2.900 . 7.300 2.924 2.897 2.962 . 0 0 "[ . 1 . 2]" 1
2122 1 53 PHE QD 1 69 LEU QB 5.000 . 8.000 3.219 3.017 3.414 . 0 0 "[ . 1 . 2]" 1
2123 1 53 PHE QD 1 69 LEU QD 2.900 . 7.300 2.353 2.318 2.431 . 0 0 "[ . 1 . 2]" 1
2124 1 53 PHE QD 1 69 LEU HG 5.000 . 7.000 4.813 4.769 4.852 . 0 0 "[ . 1 . 2]" 1
2125 1 53 PHE QD 1 70 PHE HA 5.000 . 7.000 4.382 4.256 4.564 . 0 0 "[ . 1 . 2]" 1
2126 1 53 PHE QD 1 70 PHE QD 2.900 . 6.900 3.770 3.589 3.877 . 0 0 "[ . 1 . 2]" 1
2127 1 53 PHE QD 1 70 PHE HZ 2.900 . 4.900 2.626 2.508 2.779 . 0 0 "[ . 1 . 2]" 1
2128 1 53 PHE QD 1 73 ALA MB 3.500 . 7.000 4.762 4.625 4.916 . 0 0 "[ . 1 . 2]" 1
2129 1 53 PHE QD 1 77 VAL QG 3.500 . 7.900 4.371 3.635 4.509 . 0 0 "[ . 1 . 2]" 1
2130 1 53 PHE QD 1 79 MET ME 3.500 . 7.000 4.098 3.954 4.168 . 0 0 "[ . 1 . 2]" 1
2131 1 53 PHE QD 1 79 MET QG 3.500 . 6.500 2.550 2.311 3.061 . 0 0 "[ . 1 . 2]" 1
2132 1 53 PHE QE 1 58 LEU QD 2.900 . 7.300 4.335 4.308 4.368 . 0 0 "[ . 1 . 2]" 1
2133 1 53 PHE QE 1 69 LEU QB 3.500 . 6.500 2.485 2.361 2.602 . 0 0 "[ . 1 . 2]" 1
2134 1 53 PHE QE 1 69 LEU QD 2.900 . 7.300 2.777 2.734 2.845 . 0 0 "[ . 1 . 2]" 1
2135 1 53 PHE QE 1 69 LEU HG 2.900 . 4.900 4.775 4.746 4.807 . 0 0 "[ . 1 . 2]" 1
2136 1 53 PHE QE 1 70 PHE HA 2.900 . 4.900 2.630 2.501 2.863 . 0 0 "[ . 1 . 2]" 1
2137 1 53 PHE QE 1 70 PHE QB 3.500 . 6.500 4.129 4.058 4.224 . 0 0 "[ . 1 . 2]" 1
2138 1 53 PHE QE 1 70 PHE QD 2.900 . 6.900 2.866 2.289 3.475 . 0 0 "[ . 1 . 2]" 1
2139 1 53 PHE QE 1 73 ALA HA 2.900 . 4.900 4.333 4.129 4.513 . 0 0 "[ . 1 . 2]" 1
2140 1 53 PHE QE 1 73 ALA MB 2.900 . 6.400 3.051 2.971 3.161 . 0 0 "[ . 1 . 2]" 1
2141 1 53 PHE QE 1 77 VAL HA 5.000 . 7.000 5.030 4.954 5.125 . 0 0 "[ . 1 . 2]" 1
2142 1 53 PHE QE 1 77 VAL HB 5.000 . 7.000 3.823 3.526 5.027 . 0 0 "[ . 1 . 2]" 1
2143 1 53 PHE QE 1 77 VAL QG 2.900 . 7.300 2.957 2.379 3.106 . 0 0 "[ . 1 . 2]" 1
2144 1 53 PHE QE 1 79 MET ME 3.500 . 7.000 3.542 3.208 3.725 . 0 0 "[ . 1 . 2]" 1
2145 1 53 PHE QE 1 79 MET QG 5.000 . 8.000 2.917 2.651 3.193 . 0 0 "[ . 1 . 2]" 1
2146 1 53 PHE HZ 1 58 LEU QD 5.000 . 7.400 5.524 5.494 5.561 . 0 0 "[ . 1 . 2]" 1
2147 1 53 PHE HZ 1 70 PHE HA 2.900 . 2.900 2.919 2.908 2.927 0.027 14 0 "[ . 1 . 2]" 1
2148 1 53 PHE HZ 1 73 ALA HA 3.500 . 3.500 3.541 3.528 3.560 0.060 2 0 "[ . 1 . 2]" 1
2149 1 53 PHE HZ 1 73 ALA MB 2.900 . 4.400 1.883 1.771 1.948 0.029 2 0 "[ . 1 . 2]" 1
2150 1 53 PHE HZ 1 77 VAL HA 5.000 . 5.000 5.059 5.039 5.079 0.079 6 0 "[ . 1 . 2]" 1
2151 1 53 PHE HZ 1 77 VAL HB 5.000 . 5.000 4.477 4.291 5.054 0.054 17 0 "[ . 1 . 2]" 1
2152 1 53 PHE HZ 1 77 VAL QG 2.900 . 5.300 2.627 2.442 2.760 . 0 0 "[ . 1 . 2]" 1
2153 1 58 LEU QD 1 70 PHE QD 2.900 . 7.300 3.526 3.184 3.840 . 0 0 "[ . 1 . 2]" 1
2154 1 58 LEU QD 1 70 PHE HZ 2.900 . 5.300 3.182 2.893 3.376 . 0 0 "[ . 1 . 2]" 1
2155 1 63 PHE HA 1 63 PHE QD 2.900 . 4.900 2.387 1.924 3.078 . 0 0 "[ . 1 . 2]" 1
2156 1 63 PHE HA 1 63 PHE QE 5.000 . 7.000 4.432 4.251 4.666 . 0 0 "[ . 1 . 2]" 1
2157 1 63 PHE QB 1 63 PHE QD 2.900 . 5.900 2.167 2.125 2.268 . 0 0 "[ . 1 . 2]" 1
2158 1 63 PHE QD 1 104 TYR QD 5.000 . 9.000 4.306 4.052 4.541 . 0 0 "[ . 1 . 2]" 1
2159 1 63 PHE QD 1 104 TYR QE 3.500 . 7.500 3.723 3.010 4.284 . 0 0 "[ . 1 . 2]" 1
2160 1 63 PHE QD 1 67 TYR HA 3.500 . 5.500 4.926 4.329 5.258 . 0 0 "[ . 1 . 2]" 1
2161 1 63 PHE QD 1 67 TYR QB 2.900 . 5.900 3.164 2.410 3.646 . 0 0 "[ . 1 . 2]" 1
2162 1 63 PHE QD 1 67 TYR QD 3.500 . 7.500 4.412 3.988 4.766 . 0 0 "[ . 1 . 2]" 1
2163 1 63 PHE QE 1 104 TYR QB 5.000 . 8.000 3.846 3.364 4.270 . 0 0 "[ . 1 . 2]" 1
2164 1 63 PHE QE 1 104 TYR QD 5.000 . 9.000 2.090 1.961 2.512 . 0 0 "[ . 1 . 2]" 1
2165 1 63 PHE QE 1 104 TYR QE 2.900 . 6.900 2.390 1.931 3.327 . 0 0 "[ . 1 . 2]" 1
2166 1 63 PHE QE 1 67 TYR HA 5.000 . 7.000 3.987 3.098 4.595 . 0 0 "[ . 1 . 2]" 1
2167 1 63 PHE QE 1 67 TYR QB 5.000 . 8.000 2.887 2.165 3.331 . 0 0 "[ . 1 . 2]" 1
2168 1 63 PHE QE 1 67 TYR QD 5.000 . 9.000 2.914 2.216 3.460 . 0 0 "[ . 1 . 2]" 1
2169 1 63 PHE QE 1 67 TYR QE 5.000 . 9.000 4.182 3.532 4.736 . 0 0 "[ . 1 . 2]" 1
2170 1 63 PHE HZ 1 104 TYR QB 5.000 . 6.000 3.614 3.218 3.984 . 0 0 "[ . 1 . 2]" 1
2171 1 63 PHE HZ 1 67 TYR QD 5.000 . 7.000 2.632 2.082 3.475 . 0 0 "[ . 1 . 2]" 1
2172 1 67 TYR HA 1 104 TYR QD 5.000 . 7.000 5.616 5.437 5.800 . 0 0 "[ . 1 . 2]" 1
2173 1 67 TYR HA 1 104 TYR QE 5.000 . 7.000 5.048 4.779 5.345 . 0 0 "[ . 1 . 2]" 1
2174 1 67 TYR HA 1 67 TYR QD 2.900 . 4.900 2.494 2.234 2.729 . 0 0 "[ . 1 . 2]" 1
2175 1 67 TYR QB 1 104 TYR QD 5.000 . 8.000 4.220 3.811 4.422 . 0 0 "[ . 1 . 2]" 1
2176 1 67 TYR QB 1 104 TYR QE 5.000 . 8.000 3.066 2.844 3.353 . 0 0 "[ . 1 . 2]" 1
2177 1 67 TYR QB 1 67 TYR QD 2.900 . 5.900 2.142 2.135 2.157 . 0 0 "[ . 1 . 2]" 1
2178 1 67 TYR QD 1 104 TYR QB 5.000 . 8.000 4.557 4.166 4.814 . 0 0 "[ . 1 . 2]" 1
2179 1 67 TYR QD 1 104 TYR QD 3.500 . 7.500 3.294 3.025 3.424 . 0 0 "[ . 1 . 2]" 1
2180 1 67 TYR QD 1 106 VAL HB 5.000 . 7.000 4.798 4.469 5.146 . 0 0 "[ . 1 . 2]" 1
2181 1 67 TYR QD 1 106 VAL QG 2.900 . 7.300 2.311 1.984 2.606 . 0 0 "[ . 1 . 2]" 1
2182 1 67 TYR QD 1 71 LYS HA 5.000 . 7.000 5.903 5.795 6.035 . 0 0 "[ . 1 . 2]" 1
2183 1 67 TYR QD 1 71 LYS QB 3.500 . 6.500 4.140 3.922 4.470 . 0 0 "[ . 1 . 2]" 1
2184 1 67 TYR QD 1 71 LYS QE 5.000 . 8.000 3.364 1.950 5.274 . 0 0 "[ . 1 . 2]" 1
2185 1 67 TYR QD 1 71 LYS QG 3.500 . 6.500 3.259 3.027 3.469 . 0 0 "[ . 1 . 2]" 1
2186 1 67 TYR QE 1 104 TYR QB 3.500 . 6.500 3.510 2.972 4.071 . 0 0 "[ . 1 . 2]" 1
2187 1 67 TYR QE 1 104 TYR QD 3.500 . 7.500 3.118 2.950 3.351 . 0 0 "[ . 1 . 2]" 1
2188 1 67 TYR QE 1 106 VAL HB 5.000 . 7.000 4.619 4.354 4.892 . 0 0 "[ . 1 . 2]" 1
2189 1 67 TYR QE 1 106 VAL QG 2.900 . 7.300 2.230 1.957 2.593 . 0 0 "[ . 1 . 2]" 1
2190 1 67 TYR QE 1 106 VAL HA 5.000 . 7.000 3.198 2.704 3.943 . 0 0 "[ . 1 . 2]" 1
2191 1 67 TYR QE 1 71 LYS HA 5.000 . 7.000 5.779 5.586 5.975 . 0 0 "[ . 1 . 2]" 1
2192 1 67 TYR QE 1 71 LYS QB 3.500 . 6.500 4.501 4.085 4.751 . 0 0 "[ . 1 . 2]" 1
2193 1 67 TYR QE 1 71 LYS QE 2.900 . 5.900 3.260 1.972 4.262 . 0 0 "[ . 1 . 2]" 1
2194 1 67 TYR QE 1 71 LYS QG 2.900 . 5.900 3.244 3.028 3.456 . 0 0 "[ . 1 . 2]" 1
2195 1 69 LEU QB 1 70 PHE QD 3.500 . 6.500 4.692 3.952 4.963 . 0 0 "[ . 1 . 2]" 1
2196 1 69 LEU QD 1 70 PHE QD 2.900 . 7.300 2.436 1.864 2.923 . 0 0 "[ . 1 . 2]" 1
2197 1 69 LEU HG 1 70 PHE QD 3.500 . 5.500 3.256 2.644 3.629 . 0 0 "[ . 1 . 2]" 1
2198 1 70 PHE HA 1 70 PHE QD 2.900 . 4.900 2.718 2.327 3.016 . 0 0 "[ . 1 . 2]" 1
2199 1 70 PHE QB 1 70 PHE QD 2.900 . 5.900 2.128 2.124 2.139 . 0 0 "[ . 1 . 2]" 1
2200 1 70 PHE QD 1 106 VAL HB 5.000 . 7.000 4.506 3.829 4.892 . 0 0 "[ . 1 . 2]" 1
2201 1 70 PHE QD 1 106 VAL QG 2.900 . 7.300 2.630 1.922 2.928 . 0 0 "[ . 1 . 2]" 1
2202 1 70 PHE QD 1 73 ALA MB 3.500 . 7.000 4.092 3.808 4.551 . 0 0 "[ . 1 . 2]" 1
2203 1 70 PHE QD 1 79 MET QG 5.000 . 8.000 3.844 3.726 4.192 . 0 0 "[ . 1 . 2]" 1
2204 1 70 PHE HZ 1 79 MET ME 3.500 . 5.000 3.585 3.370 3.999 . 0 0 "[ . 1 . 2]" 1
2205 1 70 PHE HZ 1 79 MET QG 5.000 . 6.000 2.930 2.552 3.538 . 0 0 "[ . 1 . 2]" 1
2206 1 101 ARG HA 1 105 TRP HH2 5.000 . 5.000 5.047 4.951 5.103 0.103 20 0 "[ . 1 . 2]" 1
2207 1 101 ARG QB 1 105 TRP HH2 3.500 . 4.500 3.297 2.969 3.638 . 0 0 "[ . 1 . 2]" 1
2208 1 101 ARG QB 1 105 TRP HZ2 5.000 . 6.000 1.598 1.363 1.844 0.437 15 0 "[ . 1 . 2]" 1
2209 1 101 ARG QB 1 105 TRP HZ3 5.000 . 6.000 5.204 5.081 5.319 . 0 0 "[ . 1 . 2]" 1
2210 1 101 ARG QD 1 105 TRP HH2 5.000 . 6.000 4.904 3.902 5.416 . 0 0 "[ . 1 . 2]" 1
2211 1 101 ARG QG 1 105 TRP HH2 3.500 . 4.500 3.288 2.223 3.771 . 0 0 "[ . 1 . 2]" 1
2212 1 101 ARG QG 1 105 TRP HZ2 5.000 . 6.000 2.246 1.952 2.628 . 0 0 "[ . 1 . 2]" 1
2213 1 101 ARG QG 1 105 TRP HZ3 5.000 . 6.000 5.032 4.472 5.146 . 0 0 "[ . 1 . 2]" 1
2214 1 103 GLN HA 1 105 TRP HD1 5.000 . 5.000 5.062 5.034 5.116 0.116 6 0 "[ . 1 . 2]" 1
2215 1 103 GLN QB 1 105 TRP HD1 3.500 . 4.500 3.940 3.910 3.970 . 0 0 "[ . 1 . 2]" 1
2216 1 103 GLN QB 1 105 TRP HH2 3.500 . 4.500 3.924 3.884 3.967 . 0 0 "[ . 1 . 2]" 1
2217 1 103 GLN QG 1 105 TRP HD1 5.000 . 6.000 5.439 5.394 5.483 . 0 0 "[ . 1 . 2]" 1
2218 1 103 GLN QG 1 105 TRP HH2 5.000 . 6.000 3.828 3.646 4.011 . 0 0 "[ . 1 . 2]" 1
2219 1 104 TYR HA 1 104 TYR QD 3.500 . 5.500 1.974 1.866 2.091 . 0 0 "[ . 1 . 2]" 1
2220 1 104 TYR HA 1 104 TYR QE 5.000 . 7.000 4.189 4.123 4.260 . 0 0 "[ . 1 . 2]" 1
2221 1 104 TYR QD 1 106 VAL QG 5.000 . 9.400 4.342 4.154 4.622 . 0 0 "[ . 1 . 2]" 1
2222 1 104 TYR QE 1 106 VAL QG 3.500 . 7.900 4.510 4.344 4.708 . 0 0 "[ . 1 . 2]" 1
2223 1 105 TRP HA 1 105 TRP HD1 5.000 . 5.000 4.358 4.316 4.428 . 0 0 "[ . 1 . 2]" 1
2224 1 105 TRP HA 1 105 TRP HE3 3.500 . 3.500 3.087 2.819 3.278 . 0 0 "[ . 1 . 2]" 1
2225 1 105 TRP QB 1 105 TRP HE3 3.500 . 4.500 2.577 2.522 2.685 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 54
_Distance_constraint_stats_list.Viol_count 320
_Distance_constraint_stats_list.Viol_total 94.727
_Distance_constraint_stats_list.Viol_max 0.061
_Distance_constraint_stats_list.Viol_rms 0.0095
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.0148
_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 2 GLU 0.259 0.013 15 0 "[ . 1 . 2]"
1 4 PHE 0.001 0.001 17 0 "[ . 1 . 2]"
1 6 VAL 0.814 0.048 16 0 "[ . 1 . 2]"
1 8 LEU 0.661 0.048 5 0 "[ . 1 . 2]"
1 19 SER 0.667 0.061 12 0 "[ . 1 . 2]"
1 21 SER 0.052 0.017 18 0 "[ . 1 . 2]"
1 28 THR 0.052 0.017 18 0 "[ . 1 . 2]"
1 29 ILE 0.321 0.043 3 0 "[ . 1 . 2]"
1 31 ASP 0.667 0.061 12 0 "[ . 1 . 2]"
1 37 TYR 0.127 0.019 10 0 "[ . 1 . 2]"
1 38 PRO 0.026 0.014 16 0 "[ . 1 . 2]"
1 39 GLU 0.185 0.018 13 0 "[ . 1 . 2]"
1 41 ASP 0.127 0.019 10 0 "[ . 1 . 2]"
1 42 SER 0.026 0.014 16 0 "[ . 1 . 2]"
1 43 LYS 0.185 0.018 13 0 "[ . 1 . 2]"
1 48 ASP 0.321 0.043 3 0 "[ . 1 . 2]"
1 49 ILE 0.381 0.059 7 0 "[ . 1 . 2]"
1 52 LYS 0.044 0.008 17 0 "[ . 1 . 2]"
1 53 PHE 0.062 0.010 9 0 "[ . 1 . 2]"
1 54 ASN 0.115 0.018 6 0 "[ . 1 . 2]"
1 56 ASP 0.062 0.010 9 0 "[ . 1 . 2]"
1 63 PHE 0.437 0.035 1 0 "[ . 1 . 2]"
1 64 GLN 0.285 0.026 19 0 "[ . 1 . 2]"
1 65 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 TYR 0.647 0.035 1 0 "[ . 1 . 2]"
1 68 ALA 0.373 0.026 19 0 "[ . 1 . 2]"
1 69 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 LYS 0.210 0.023 12 0 "[ . 1 . 2]"
1 72 GLY 0.088 0.014 2 0 "[ . 1 . 2]"
1 77 VAL 0.661 0.048 5 0 "[ . 1 . 2]"
1 78 SER 0.115 0.018 6 0 "[ . 1 . 2]"
1 79 MET 0.814 0.048 16 0 "[ . 1 . 2]"
1 80 GLU 0.044 0.008 17 0 "[ . 1 . 2]"
1 81 VAL 0.001 0.001 17 0 "[ . 1 . 2]"
1 82 THR 0.381 0.059 7 0 "[ . 1 . 2]"
1 83 ARG 0.259 0.013 15 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 37 TYR O 1 41 ASP N 3.300 2.200 3.300 3.112 2.978 3.155 . 0 0 "[ . 1 . 2]" 2
2 1 37 TYR O 1 41 ASP H 2.200 . 2.200 2.194 2.116 2.219 0.019 10 0 "[ . 1 . 2]" 2
3 1 38 PRO O 1 42 SER N 3.300 2.200 3.300 2.922 2.765 2.992 . 0 0 "[ . 1 . 2]" 2
4 1 38 PRO O 1 42 SER H 2.200 . 2.200 2.141 1.976 2.214 0.014 16 0 "[ . 1 . 2]" 2
5 1 39 GLU O 1 43 LYS N 3.300 2.200 3.300 2.535 2.436 2.563 . 0 0 "[ . 1 . 2]" 2
6 1 39 GLU O 1 43 LYS H 2.200 . 2.200 2.185 1.985 2.218 0.018 13 0 "[ . 1 . 2]" 2
7 1 63 PHE O 1 67 TYR N 3.300 2.200 3.300 2.743 2.727 2.756 . 0 0 "[ . 1 . 2]" 2
8 1 63 PHE O 1 67 TYR H 2.200 . 2.200 1.778 1.765 1.788 0.035 1 0 "[ . 1 . 2]" 2
9 1 64 GLN O 1 68 ALA N 3.300 2.200 3.300 2.996 2.960 3.043 . 0 0 "[ . 1 . 2]" 2
10 1 64 GLN O 1 68 ALA H 2.200 . 2.200 2.214 2.203 2.226 0.026 19 0 "[ . 1 . 2]" 2
11 1 65 VAL O 1 69 LEU N 3.300 2.200 3.300 2.919 2.777 3.107 . 0 0 "[ . 1 . 2]" 2
12 1 65 VAL O 1 69 LEU H 2.200 . 2.200 1.955 1.811 2.150 . 0 0 "[ . 1 . 2]" 2
13 1 66 CYS O 1 70 PHE N 3.300 2.200 3.300 2.905 2.796 3.120 . 0 0 "[ . 1 . 2]" 2
14 1 66 CYS O 1 70 PHE H 2.200 . 2.200 1.974 1.859 2.158 . 0 0 "[ . 1 . 2]" 2
15 1 67 TYR O 1 71 LYS N 3.300 2.200 3.300 2.922 2.840 2.974 . 0 0 "[ . 1 . 2]" 2
16 1 67 TYR O 1 71 LYS H 2.200 . 2.200 2.201 2.078 2.223 0.023 12 0 "[ . 1 . 2]" 2
17 1 68 ALA O 1 72 GLY N 3.300 2.200 3.300 2.674 2.566 2.777 . 0 0 "[ . 1 . 2]" 2
18 1 68 ALA O 1 72 GLY H 2.200 . 2.200 1.811 1.786 1.930 0.014 2 0 "[ . 1 . 2]" 2
19 1 2 GLU O 1 83 ARG H 2.200 . 2.200 1.792 1.787 1.799 0.013 9 0 "[ . 1 . 2]" 2
20 1 2 GLU O 1 83 ARG N 3.300 2.200 3.300 2.637 2.600 2.672 . 0 0 "[ . 1 . 2]" 2
21 1 2 GLU H 1 83 ARG O 2.200 . 2.200 2.202 2.175 2.213 0.013 15 0 "[ . 1 . 2]" 2
22 1 2 GLU N 1 83 ARG O 3.300 2.200 3.300 3.088 2.915 3.178 . 0 0 "[ . 1 . 2]" 2
23 1 4 PHE O 1 81 VAL H 2.200 . 2.200 2.084 1.804 2.201 0.001 17 0 "[ . 1 . 2]" 2
24 1 4 PHE O 1 81 VAL N 3.300 2.200 3.300 2.814 2.639 2.886 . 0 0 "[ . 1 . 2]" 2
25 1 4 PHE H 1 81 VAL O 2.200 . 2.200 2.061 1.947 2.119 . 0 0 "[ . 1 . 2]" 2
26 1 4 PHE N 1 81 VAL O 3.300 2.200 3.300 2.988 2.868 3.040 . 0 0 "[ . 1 . 2]" 2
27 1 6 VAL O 1 79 MET H 2.200 . 2.200 1.769 1.752 1.803 0.048 16 0 "[ . 1 . 2]" 2
28 1 6 VAL O 1 79 MET N 3.300 2.200 3.300 2.712 2.696 2.745 . 0 0 "[ . 1 . 2]" 2
29 1 6 VAL H 1 79 MET O 2.200 . 2.200 1.793 1.778 1.834 0.022 9 0 "[ . 1 . 2]" 2
30 1 6 VAL N 1 79 MET O 3.300 2.200 3.300 2.687 2.669 2.696 . 0 0 "[ . 1 . 2]" 2
31 1 8 LEU O 1 77 VAL H 2.200 . 2.200 1.769 1.752 1.789 0.048 5 0 "[ . 1 . 2]" 2
32 1 8 LEU O 1 77 VAL N 3.300 2.200 3.300 2.674 2.627 2.751 . 0 0 "[ . 1 . 2]" 2
33 1 8 LEU H 1 77 VAL O 2.200 . 2.200 2.132 1.765 2.206 0.035 17 0 "[ . 1 . 2]" 2
34 1 8 LEU N 1 77 VAL O 3.300 2.200 3.300 3.008 2.738 3.079 . 0 0 "[ . 1 . 2]" 2
35 1 49 ILE H 1 82 THR O 2.200 . 2.200 1.928 1.782 2.029 0.018 16 0 "[ . 1 . 2]" 2
36 1 49 ILE N 1 82 THR O 3.300 2.200 3.300 2.863 2.641 2.989 . 0 0 "[ . 1 . 2]" 2
37 1 49 ILE O 1 82 THR H 2.200 . 2.200 1.782 1.741 1.797 0.059 7 0 "[ . 1 . 2]" 2
38 1 49 ILE O 1 82 THR N 3.300 2.200 3.300 2.715 2.662 2.744 . 0 0 "[ . 1 . 2]" 2
39 1 52 LYS O 1 80 GLU H 2.200 . 2.200 2.159 2.010 2.208 0.008 17 0 "[ . 1 . 2]" 2
40 1 52 LYS O 1 80 GLU N 3.300 2.200 3.300 2.938 2.788 3.043 . 0 0 "[ . 1 . 2]" 2
41 1 54 ASN H 1 78 SER O 2.200 . 2.200 1.809 1.782 1.895 0.018 6 0 "[ . 1 . 2]" 2
42 1 54 ASN N 1 78 SER O 3.300 2.200 3.300 2.744 2.648 2.831 . 0 0 "[ . 1 . 2]" 2
43 1 53 PHE O 1 56 ASP H 2.200 . 2.200 2.183 1.913 2.210 0.010 9 0 "[ . 1 . 2]" 2
44 1 53 PHE O 1 56 ASP N 3.300 2.200 3.300 2.880 2.681 2.925 . 0 0 "[ . 1 . 2]" 2
45 1 53 PHE H 1 56 ASP O 2.200 . 2.200 1.995 1.797 2.201 0.003 16 0 "[ . 1 . 2]" 2
46 1 53 PHE N 1 56 ASP O 3.300 2.200 3.300 2.865 2.725 3.059 . 0 0 "[ . 1 . 2]" 2
47 1 29 ILE H 1 48 ASP O 2.200 . 2.200 1.784 1.757 1.799 0.043 3 0 "[ . 1 . 2]" 2
48 1 29 ILE N 1 48 ASP O 3.300 2.200 3.300 2.723 2.659 2.766 . 0 0 "[ . 1 . 2]" 2
49 1 21 SER H 1 28 THR O 2.200 . 2.200 2.154 2.043 2.217 0.017 18 0 "[ . 1 . 2]" 2
50 1 21 SER N 1 28 THR O 3.300 2.200 3.300 2.604 2.555 2.731 . 0 0 "[ . 1 . 2]" 2
51 1 19 SER O 1 31 ASP H 2.200 . 2.200 2.229 2.173 2.261 0.061 12 0 "[ . 1 . 2]" 2
52 1 19 SER O 1 31 ASP N 3.300 2.200 3.300 3.190 3.144 3.226 . 0 0 "[ . 1 . 2]" 2
53 1 19 SER H 1 31 ASP O 2.200 . 2.200 2.131 1.839 2.209 0.009 6 0 "[ . 1 . 2]" 2
54 1 19 SER N 1 31 ASP O 3.300 2.200 3.300 2.733 2.564 2.855 . 0 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Saturday, May 18, 2024 2:09:34 AM GMT (wattos1)