NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
641876 |
6k8q   |
36264 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6k8q
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 1699
_Distance_constraint_stats_list.Viol_count 978
_Distance_constraint_stats_list.Viol_total 211.292
_Distance_constraint_stats_list.Viol_max 0.129
_Distance_constraint_stats_list.Viol_rms 0.0027
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0108
_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 2 SER 0.000 0.000 4 0 "[ . 1 . 2]"
1 3 ASP 0.023 0.010 13 0 "[ . 1 . 2]"
1 4 THR 0.061 0.011 13 0 "[ . 1 . 2]"
1 5 GLN 0.029 0.013 4 0 "[ . 1 . 2]"
1 6 LEU 0.039 0.010 13 0 "[ . 1 . 2]"
1 7 PHE 0.179 0.014 13 0 "[ . 1 . 2]"
1 8 ASN 0.016 0.009 14 0 "[ . 1 . 2]"
1 9 ARG 0.326 0.037 1 0 "[ . 1 . 2]"
1 10 ALA 0.182 0.037 1 0 "[ . 1 . 2]"
1 11 VAL 0.607 0.040 2 0 "[ . 1 . 2]"
1 12 SER 0.393 0.030 16 0 "[ . 1 . 2]"
1 13 MET 0.074 0.014 9 0 "[ . 1 . 2]"
1 14 VAL 0.209 0.030 16 0 "[ . 1 . 2]"
1 15 GLU 0.065 0.009 17 0 "[ . 1 . 2]"
1 16 LYS 0.062 0.009 8 0 "[ . 1 . 2]"
1 17 ASN 0.135 0.014 6 0 "[ . 1 . 2]"
1 18 LYS 0.135 0.038 19 0 "[ . 1 . 2]"
1 19 ASP 0.211 0.038 19 0 "[ . 1 . 2]"
1 20 ILE 0.129 0.012 19 0 "[ . 1 . 2]"
1 21 ARG 0.115 0.046 20 0 "[ . 1 . 2]"
1 22 SER 0.184 0.046 20 0 "[ . 1 . 2]"
1 23 LEU 0.286 0.024 6 0 "[ . 1 . 2]"
1 24 LEU 0.415 0.045 18 0 "[ . 1 . 2]"
1 25 GLN 0.235 0.045 13 0 "[ . 1 . 2]"
1 26 CYS 0.258 0.033 16 0 "[ . 1 . 2]"
1 27 ASP 0.204 0.033 16 0 "[ . 1 . 2]"
1 28 ASP 0.185 0.039 9 0 "[ . 1 . 2]"
1 29 GLY 0.079 0.014 6 0 "[ . 1 . 2]"
1 30 ILE 0.029 0.006 10 0 "[ . 1 . 2]"
1 31 THR 0.182 0.039 19 0 "[ . 1 . 2]"
1 32 GLY 0.275 0.039 19 0 "[ . 1 . 2]"
1 33 LYS 0.084 0.020 13 0 "[ . 1 . 2]"
1 34 GLU 0.095 0.016 9 0 "[ . 1 . 2]"
1 35 ARG 0.309 0.028 16 0 "[ . 1 . 2]"
1 36 LEU 0.802 0.049 20 0 "[ . 1 . 2]"
1 37 LYS 0.874 0.049 20 0 "[ . 1 . 2]"
1 38 ALA 0.363 0.042 8 0 "[ . 1 . 2]"
1 39 TYR 0.047 0.014 13 0 "[ . 1 . 2]"
1 40 GLY 0.237 0.033 7 0 "[ . 1 . 2]"
1 41 GLU 0.329 0.032 9 0 "[ . 1 . 2]"
1 42 LEU 0.218 0.065 12 0 "[ . 1 . 2]"
1 43 ILE 0.133 0.023 7 0 "[ . 1 . 2]"
1 44 THR 0.185 0.024 13 0 "[ . 1 . 2]"
1 45 ASN 0.133 0.057 9 0 "[ . 1 . 2]"
1 46 ASP 0.582 0.062 9 0 "[ . 1 . 2]"
1 47 LYS 0.630 0.062 9 0 "[ . 1 . 2]"
1 48 TRP 0.174 0.026 20 0 "[ . 1 . 2]"
1 49 THR 0.099 0.025 15 0 "[ . 1 . 2]"
1 50 ARG 0.051 0.018 10 0 "[ . 1 . 2]"
1 51 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ARG 0.046 0.020 5 0 "[ . 1 . 2]"
1 53 PRO 0.342 0.025 10 0 "[ . 1 . 2]"
1 54 ILE 0.867 0.046 10 0 "[ . 1 . 2]"
1 55 VAL 0.605 0.046 10 0 "[ . 1 . 2]"
1 56 SER 0.732 0.039 8 0 "[ . 1 . 2]"
1 57 THR 0.513 0.031 1 0 "[ . 1 . 2]"
1 58 LYS 0.038 0.008 16 0 "[ . 1 . 2]"
1 59 LYS 0.082 0.012 19 0 "[ . 1 . 2]"
1 60 LEU 0.136 0.018 10 0 "[ . 1 . 2]"
1 61 ASP 0.037 0.018 10 0 "[ . 1 . 2]"
1 62 LYS 0.108 0.058 19 0 "[ . 1 . 2]"
1 63 GLU 0.243 0.058 19 0 "[ . 1 . 2]"
1 64 GLY 0.195 0.018 20 0 "[ . 1 . 2]"
1 65 ARG 0.054 0.010 4 0 "[ . 1 . 2]"
1 66 THR 0.059 0.013 1 0 "[ . 1 . 2]"
1 67 HIS 0.135 0.029 5 0 "[ . 1 . 2]"
1 68 HIS 0.085 0.020 5 0 "[ . 1 . 2]"
1 69 TYR 0.020 0.006 1 0 "[ . 1 . 2]"
1 70 MET 0.015 0.006 20 0 "[ . 1 . 2]"
1 71 ARG 0.021 0.009 1 0 "[ . 1 . 2]"
1 72 PHE 0.058 0.014 5 0 "[ . 1 . 2]"
1 73 HIS 0.071 0.014 11 0 "[ . 1 . 2]"
1 74 VAL 0.051 0.014 11 0 "[ . 1 . 2]"
1 75 GLU 0.079 0.017 6 0 "[ . 1 . 2]"
1 76 SER 0.191 0.016 8 0 "[ . 1 . 2]"
1 77 LYS 0.128 0.050 14 0 "[ . 1 . 2]"
1 78 LYS 0.026 0.011 19 0 "[ . 1 . 2]"
1 79 LYS 0.036 0.016 8 0 "[ . 1 . 2]"
1 80 ILE 0.082 0.020 11 0 "[ . 1 . 2]"
1 81 ALA 0.143 0.020 11 0 "[ . 1 . 2]"
1 82 LEU 0.195 0.029 17 0 "[ . 1 . 2]"
1 83 VAL 0.215 0.029 17 0 "[ . 1 . 2]"
1 84 HIS 0.147 0.023 8 0 "[ . 1 . 2]"
1 85 LEU 0.118 0.023 8 0 "[ . 1 . 2]"
1 86 GLU 0.028 0.008 13 0 "[ . 1 . 2]"
1 87 ALA 0.070 0.012 17 0 "[ . 1 . 2]"
1 88 LYS 0.218 0.029 5 0 "[ . 1 . 2]"
1 89 GLU 0.076 0.020 6 0 "[ . 1 . 2]"
1 90 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 LYS 0.038 0.012 12 0 "[ . 1 . 2]"
1 92 GLN 0.086 0.017 8 0 "[ . 1 . 2]"
1 93 ASN 0.070 0.035 5 0 "[ . 1 . 2]"
1 94 TYR 0.333 0.129 17 0 "[ . 1 . 2]"
1 95 GLN 0.311 0.129 17 0 "[ . 1 . 2]"
1 96 PRO 0.050 0.013 17 0 "[ . 1 . 2]"
1 97 ASP 0.079 0.030 14 0 "[ . 1 . 2]"
1 98 PHE 0.164 0.030 14 0 "[ . 1 . 2]"
1 99 ILE 0.227 0.040 15 0 "[ . 1 . 2]"
1 100 ASN 0.105 0.027 9 0 "[ . 1 . 2]"
1 101 MET 0.163 0.027 9 0 "[ . 1 . 2]"
1 102 TYR 0.087 0.021 19 0 "[ . 1 . 2]"
1 103 VAL 0.150 0.022 3 0 "[ . 1 . 2]"
1 104 ASP 0.019 0.008 10 0 "[ . 1 . 2]"
1 105 VAL 0.075 0.030 1 0 "[ . 1 . 2]"
1 106 PRO 0.079 0.030 1 0 "[ . 1 . 2]"
1 107 GLY 0.002 0.002 4 0 "[ . 1 . 2]"
1 108 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 ARG 0.161 0.018 6 0 "[ . 1 . 2]"
1 111 TYR 0.222 0.022 3 0 "[ . 1 . 2]"
1 112 TYR 0.071 0.021 13 0 "[ . 1 . 2]"
1 113 LEU 0.034 0.011 4 0 "[ . 1 . 2]"
1 114 ILE 0.044 0.010 16 0 "[ . 1 . 2]"
1 115 LYS 0.093 0.050 9 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 2 SER HA 1 2 SER HG 4.000 . 4.000 3.341 2.392 4.000 0.000 4 0 "[ . 1 . 2]" 1
2 1 2 SER HA 1 5 GLN H 4.240 . 4.240 3.492 3.085 4.084 . 0 0 "[ . 1 . 2]" 1
3 1 2 SER HA 1 5 GLN QB 3.960 . 3.960 3.458 2.709 3.956 . 0 0 "[ . 1 . 2]" 1
4 1 2 SER HA 1 5 GLN QE 4.590 . 4.590 3.512 1.994 4.522 . 0 0 "[ . 1 . 2]" 1
5 1 2 SER HA 1 5 GLN QG 4.430 . 4.430 3.486 2.236 4.425 . 0 0 "[ . 1 . 2]" 1
6 1 3 ASP HA 1 5 GLN H 4.730 . 4.730 4.483 3.928 4.725 . 0 0 "[ . 1 . 2]" 1
7 1 3 ASP HA 1 6 LEU H 3.550 . 3.550 3.379 3.176 3.550 . 0 0 "[ . 1 . 2]" 1
8 1 3 ASP HA 1 6 LEU QB 4.030 . 4.030 2.442 1.952 2.758 . 0 0 "[ . 1 . 2]" 1
9 1 3 ASP HA 1 6 LEU MD1 4.250 . 4.250 2.805 1.876 4.245 . 0 0 "[ . 1 . 2]" 1
10 1 3 ASP HA 1 6 LEU QD 3.640 . 3.640 2.562 1.874 3.456 . 0 0 "[ . 1 . 2]" 1
11 1 3 ASP HA 1 6 LEU MD2 4.250 . 4.250 3.755 2.357 4.260 0.010 13 0 "[ . 1 . 2]" 1
12 1 3 ASP QB 1 4 THR H 3.620 . 3.620 2.906 2.367 3.498 . 0 0 "[ . 1 . 2]" 1
13 1 3 ASP QB 1 4 THR HA 4.750 . 4.750 4.098 3.806 4.533 . 0 0 "[ . 1 . 2]" 1
14 1 3 ASP QB 1 5 GLN H 5.300 . 5.300 4.961 4.521 5.304 0.004 9 0 "[ . 1 . 2]" 1
15 1 3 ASP QB 1 6 LEU QD 3.960 . 3.960 3.802 3.178 3.963 0.003 18 0 "[ . 1 . 2]" 1
16 1 3 ASP QB 1 54 ILE MG 5.500 . 5.500 2.900 1.888 4.117 . 0 0 "[ . 1 . 2]" 1
17 1 3 ASP QB 1 56 SER QB 4.930 . 4.930 3.770 2.080 4.696 . 0 0 "[ . 1 . 2]" 1
18 1 4 THR H 1 4 THR HB 2.990 . 2.990 2.426 2.211 2.664 . 0 0 "[ . 1 . 2]" 1
19 1 4 THR H 1 4 THR MG 3.800 . 3.800 3.691 3.657 3.703 . 0 0 "[ . 1 . 2]" 1
20 1 4 THR H 1 5 GLN H 3.170 . 3.170 2.802 2.583 2.932 . 0 0 "[ . 1 . 2]" 1
21 1 4 THR H 1 5 GLN QB 5.020 . 5.020 4.654 4.349 4.783 . 0 0 "[ . 1 . 2]" 1
22 1 4 THR H 1 5 GLN QG 4.900 . 4.900 4.351 3.698 4.897 . 0 0 "[ . 1 . 2]" 1
23 1 4 THR H 1 6 LEU H 4.200 . 4.200 4.062 3.852 4.207 0.007 5 0 "[ . 1 . 2]" 1
24 1 4 THR H 1 7 PHE QB 5.500 . 5.500 5.391 5.031 5.511 0.011 13 0 "[ . 1 . 2]" 1
25 1 4 THR HA 1 4 THR MG 3.150 . 3.150 2.365 2.183 2.537 . 0 0 "[ . 1 . 2]" 1
26 1 4 THR HA 1 5 GLN QB 5.500 . 5.500 5.399 5.283 5.467 . 0 0 "[ . 1 . 2]" 1
27 1 4 THR HA 1 6 LEU QB 5.100 . 5.100 4.661 4.436 4.882 . 0 0 "[ . 1 . 2]" 1
28 1 4 THR HA 1 7 PHE H 3.970 . 3.970 3.639 3.434 3.868 . 0 0 "[ . 1 . 2]" 1
29 1 4 THR HA 1 7 PHE QB 3.620 . 3.620 3.264 3.030 3.625 0.005 3 0 "[ . 1 . 2]" 1
30 1 4 THR HA 1 7 PHE QD 4.250 . 4.250 2.550 2.085 3.009 . 0 0 "[ . 1 . 2]" 1
31 1 4 THR HA 1 8 ASN H 4.790 . 4.790 4.442 4.224 4.687 . 0 0 "[ . 1 . 2]" 1
32 1 4 THR HA 1 54 ILE MG 4.270 . 4.270 3.696 2.925 4.259 . 0 0 "[ . 1 . 2]" 1
33 1 4 THR HB 1 5 GLN H 2.870 . 2.870 2.428 2.238 2.714 . 0 0 "[ . 1 . 2]" 1
34 1 4 THR HB 1 5 GLN QB 4.760 . 4.760 4.451 4.258 4.766 0.006 16 0 "[ . 1 . 2]" 1
35 1 4 THR HB 1 8 ASN HD21 4.870 . 4.870 4.396 3.851 4.868 . 0 0 "[ . 1 . 2]" 1
36 1 4 THR MG 1 5 GLN H 3.600 . 3.600 3.314 2.923 3.597 . 0 0 "[ . 1 . 2]" 1
37 1 4 THR MG 1 6 LEU H 5.130 . 5.130 4.860 4.651 5.107 . 0 0 "[ . 1 . 2]" 1
38 1 4 THR MG 1 7 PHE QD 4.120 . 4.120 2.806 2.206 3.324 . 0 0 "[ . 1 . 2]" 1
39 1 4 THR MG 1 8 ASN H 4.440 . 4.440 4.152 3.816 4.437 . 0 0 "[ . 1 . 2]" 1
40 1 4 THR MG 1 8 ASN HD21 3.570 . 3.570 2.533 1.856 3.315 . 0 0 "[ . 1 . 2]" 1
41 1 4 THR MG 1 8 ASN HD22 3.800 . 3.800 2.334 1.867 3.163 . 0 0 "[ . 1 . 2]" 1
42 1 5 GLN H 1 5 GLN QB 2.590 . 2.590 2.334 2.154 2.508 . 0 0 "[ . 1 . 2]" 1
43 1 5 GLN H 1 5 GLN QE 4.620 . 4.620 4.048 3.337 4.622 0.002 14 0 "[ . 1 . 2]" 1
44 1 5 GLN H 1 5 GLN QG 3.130 . 3.130 2.125 1.855 2.521 . 0 0 "[ . 1 . 2]" 1
45 1 5 GLN H 1 6 LEU H 2.940 . 2.940 2.656 2.553 2.786 . 0 0 "[ . 1 . 2]" 1
46 1 5 GLN H 1 6 LEU QB 4.580 . 4.580 4.244 4.130 4.479 . 0 0 "[ . 1 . 2]" 1
47 1 5 GLN HA 1 5 GLN HG2 3.760 . 3.760 2.625 2.146 3.289 . 0 0 "[ . 1 . 2]" 1
48 1 5 GLN HA 1 5 GLN QG 3.280 . 3.280 2.392 2.116 3.077 . 0 0 "[ . 1 . 2]" 1
49 1 5 GLN HA 1 5 GLN HG3 3.760 . 3.760 3.011 2.312 3.773 0.013 4 0 "[ . 1 . 2]" 1
50 1 5 GLN HA 1 7 PHE H 4.390 . 4.390 4.330 4.196 4.395 0.005 20 0 "[ . 1 . 2]" 1
51 1 5 GLN HA 1 8 ASN H 3.540 . 3.540 3.215 3.021 3.359 . 0 0 "[ . 1 . 2]" 1
52 1 5 GLN HA 1 8 ASN QB 3.610 . 3.610 2.092 1.861 2.271 . 0 0 "[ . 1 . 2]" 1
53 1 5 GLN HA 1 8 ASN HD21 4.620 . 4.620 2.462 1.897 3.225 . 0 0 "[ . 1 . 2]" 1
54 1 5 GLN HA 1 8 ASN HD22 4.310 . 4.310 3.825 3.290 4.263 . 0 0 "[ . 1 . 2]" 1
55 1 5 GLN HA 1 9 ARG H 4.220 . 4.220 4.049 3.725 4.216 . 0 0 "[ . 1 . 2]" 1
56 1 5 GLN QB 1 6 LEU H 3.000 . 3.000 2.651 2.547 2.701 . 0 0 "[ . 1 . 2]" 1
57 1 6 LEU H 1 6 LEU QB 2.630 . 2.630 2.004 1.923 2.312 . 0 0 "[ . 1 . 2]" 1
58 1 6 LEU H 1 6 LEU MD1 4.550 . 4.550 3.249 2.402 3.947 . 0 0 "[ . 1 . 2]" 1
59 1 6 LEU H 1 6 LEU QD 3.900 . 3.900 3.106 2.373 3.627 . 0 0 "[ . 1 . 2]" 1
60 1 6 LEU H 1 6 LEU MD2 4.550 . 4.550 4.174 3.234 4.385 . 0 0 "[ . 1 . 2]" 1
61 1 6 LEU H 1 7 PHE H 3.110 . 3.110 2.762 2.687 2.857 . 0 0 "[ . 1 . 2]" 1
62 1 6 LEU H 1 7 PHE QB 4.740 . 4.740 4.376 4.273 4.521 . 0 0 "[ . 1 . 2]" 1
63 1 6 LEU H 1 8 ASN H 4.070 . 4.070 4.034 3.974 4.079 0.009 14 0 "[ . 1 . 2]" 1
64 1 6 LEU H 1 8 ASN QB 4.870 . 4.870 4.530 4.400 4.665 . 0 0 "[ . 1 . 2]" 1
65 1 6 LEU HA 1 6 LEU MD1 3.980 . 3.980 2.962 1.928 3.759 . 0 0 "[ . 1 . 2]" 1
66 1 6 LEU HA 1 6 LEU QD 3.100 . 3.100 2.553 1.888 2.954 . 0 0 "[ . 1 . 2]" 1
67 1 6 LEU HA 1 6 LEU MD2 3.980 . 3.980 3.261 1.893 3.821 . 0 0 "[ . 1 . 2]" 1
68 1 6 LEU HA 1 9 ARG HG2 3.940 . 3.940 2.622 2.324 2.856 . 0 0 "[ . 1 . 2]" 1
69 1 6 LEU HA 1 9 ARG HG3 4.150 . 4.150 3.704 3.297 4.072 . 0 0 "[ . 1 . 2]" 1
70 1 6 LEU QB 1 6 LEU MD1 2.830 . 2.830 2.017 1.863 2.394 . 0 0 "[ . 1 . 2]" 1
71 1 6 LEU QB 1 6 LEU QD 2.460 . 2.460 1.813 1.711 1.976 . 0 0 "[ . 1 . 2]" 1
72 1 6 LEU QB 1 6 LEU MD2 2.830 . 2.830 2.068 1.921 2.268 . 0 0 "[ . 1 . 2]" 1
73 1 6 LEU QB 1 7 PHE H 3.170 . 3.170 2.535 2.330 2.646 . 0 0 "[ . 1 . 2]" 1
74 1 6 LEU QB 1 8 ASN H 4.900 . 4.900 4.534 4.446 4.598 . 0 0 "[ . 1 . 2]" 1
75 1 6 LEU QD 1 7 PHE H 4.810 . 4.810 3.910 3.321 4.062 . 0 0 "[ . 1 . 2]" 1
76 1 6 LEU QD 1 56 SER QB 4.850 . 4.850 4.124 3.397 4.697 . 0 0 "[ . 1 . 2]" 1
77 1 6 LEU QD 1 96 PRO QD 4.340 . 4.340 3.630 2.907 4.224 . 0 0 "[ . 1 . 2]" 1
78 1 6 LEU QD 1 96 PRO QG 4.260 . 4.260 3.362 2.466 4.118 . 0 0 "[ . 1 . 2]" 1
79 1 6 LEU MD1 1 96 PRO QG 5.030 . 5.030 3.997 2.532 4.835 . 0 0 "[ . 1 . 2]" 1
80 1 6 LEU MD2 1 96 PRO QG 5.030 . 5.030 3.854 2.957 4.943 . 0 0 "[ . 1 . 2]" 1
81 1 7 PHE H 1 7 PHE QB 2.600 . 2.600 1.944 1.927 2.019 . 0 0 "[ . 1 . 2]" 1
82 1 7 PHE H 1 7 PHE QD 3.580 . 3.580 3.458 3.022 3.588 0.008 13 0 "[ . 1 . 2]" 1
83 1 7 PHE H 1 8 ASN H 3.170 . 3.170 2.490 2.458 2.518 . 0 0 "[ . 1 . 2]" 1
84 1 7 PHE HA 1 7 PHE QD 3.510 . 3.510 3.017 2.905 3.324 . 0 0 "[ . 1 . 2]" 1
85 1 7 PHE HA 1 10 ALA MB 3.470 . 3.470 2.303 1.987 2.632 . 0 0 "[ . 1 . 2]" 1
86 1 7 PHE HA 1 11 VAL QG 5.220 . 5.220 4.791 4.497 5.024 . 0 0 "[ . 1 . 2]" 1
87 1 7 PHE QB 1 8 ASN H 3.380 . 3.380 3.108 3.016 3.290 . 0 0 "[ . 1 . 2]" 1
88 1 7 PHE QB 1 11 VAL QG 4.780 . 4.780 4.629 4.247 4.792 0.012 15 0 "[ . 1 . 2]" 1
89 1 7 PHE QB 1 54 ILE MD 4.520 . 4.520 4.224 3.670 4.527 0.007 20 0 "[ . 1 . 2]" 1
90 1 7 PHE QB 1 54 ILE MG 3.600 . 3.600 3.194 2.792 3.534 . 0 0 "[ . 1 . 2]" 1
91 1 7 PHE QD 1 8 ASN H 3.520 . 3.520 3.325 3.072 3.434 . 0 0 "[ . 1 . 2]" 1
92 1 7 PHE QD 1 8 ASN HA 4.360 . 4.360 3.798 3.542 3.925 . 0 0 "[ . 1 . 2]" 1
93 1 7 PHE QD 1 9 ARG H 5.500 . 5.500 5.372 5.253 5.459 . 0 0 "[ . 1 . 2]" 1
94 1 7 PHE QD 1 11 VAL H 4.040 . 4.040 3.359 3.183 3.524 . 0 0 "[ . 1 . 2]" 1
95 1 7 PHE QD 1 11 VAL HA 4.840 . 4.840 4.620 4.342 4.845 0.005 13 0 "[ . 1 . 2]" 1
96 1 7 PHE QD 1 11 VAL HB 4.610 . 4.610 2.403 2.107 2.599 . 0 0 "[ . 1 . 2]" 1
97 1 7 PHE QD 1 11 VAL MG1 4.330 . 4.330 3.710 3.425 3.918 . 0 0 "[ . 1 . 2]" 1
98 1 7 PHE QD 1 11 VAL QG 3.230 . 3.230 2.909 2.532 3.141 . 0 0 "[ . 1 . 2]" 1
99 1 7 PHE QD 1 11 VAL MG2 4.330 . 4.330 3.044 2.609 3.343 . 0 0 "[ . 1 . 2]" 1
100 1 7 PHE QD 1 12 SER H 5.500 . 5.500 5.472 5.330 5.514 0.014 13 0 "[ . 1 . 2]" 1
101 1 7 PHE QD 1 38 ALA MB 4.030 . 4.030 3.837 3.509 4.039 0.009 5 0 "[ . 1 . 2]" 1
102 1 7 PHE QD 1 40 GLY H 5.290 . 5.290 5.027 4.367 5.290 0.000 13 0 "[ . 1 . 2]" 1
103 1 7 PHE QD 1 54 ILE MD 4.180 . 4.180 4.004 3.532 4.192 0.012 16 0 "[ . 1 . 2]" 1
104 1 7 PHE QD 1 54 ILE MG 4.380 . 4.380 3.926 3.435 4.372 . 0 0 "[ . 1 . 2]" 1
105 1 7 PHE QE 1 38 ALA MB 3.270 . 3.270 2.091 1.835 2.642 . 0 0 "[ . 1 . 2]" 1
106 1 7 PHE HZ 1 11 VAL QG 4.590 . 4.590 3.447 2.926 3.868 . 0 0 "[ . 1 . 2]" 1
107 1 7 PHE HZ 1 38 ALA MB 4.190 . 4.190 3.308 2.639 3.989 . 0 0 "[ . 1 . 2]" 1
108 1 7 PHE HZ 1 39 TYR H 4.940 . 4.940 4.721 4.183 4.941 0.001 8 0 "[ . 1 . 2]" 1
109 1 8 ASN H 1 8 ASN HA 2.940 . 2.940 2.829 2.804 2.857 . 0 0 "[ . 1 . 2]" 1
110 1 8 ASN H 1 8 ASN HB2 3.740 . 3.740 2.102 2.002 2.264 . 0 0 "[ . 1 . 2]" 1
111 1 8 ASN H 1 8 ASN QB 2.940 . 2.940 2.085 1.988 2.238 . 0 0 "[ . 1 . 2]" 1
112 1 8 ASN H 1 8 ASN HB3 3.740 . 3.740 3.448 3.380 3.510 . 0 0 "[ . 1 . 2]" 1
113 1 8 ASN H 1 8 ASN HD21 4.530 . 4.530 2.928 2.015 3.933 . 0 0 "[ . 1 . 2]" 1
114 1 8 ASN H 1 8 ASN HD22 4.590 . 4.590 4.072 3.650 4.592 0.002 11 0 "[ . 1 . 2]" 1
115 1 8 ASN H 1 9 ARG H 3.250 . 3.250 2.886 2.783 2.962 . 0 0 "[ . 1 . 2]" 1
116 1 8 ASN H 1 10 ALA H 4.430 . 4.430 4.074 3.981 4.158 . 0 0 "[ . 1 . 2]" 1
117 1 8 ASN H 1 11 VAL QG 5.240 . 5.240 4.648 4.403 4.917 . 0 0 "[ . 1 . 2]" 1
118 1 8 ASN HA 1 11 VAL H 4.010 . 4.010 3.729 3.473 3.907 . 0 0 "[ . 1 . 2]" 1
119 1 8 ASN HA 1 11 VAL HB 3.750 . 3.750 3.473 3.110 3.704 . 0 0 "[ . 1 . 2]" 1
120 1 8 ASN HA 1 11 VAL MG1 4.710 . 4.710 2.628 2.321 2.952 . 0 0 "[ . 1 . 2]" 1
121 1 8 ASN HA 1 11 VAL QG 3.310 . 3.310 2.612 2.312 2.922 . 0 0 "[ . 1 . 2]" 1
122 1 8 ASN HA 1 11 VAL MG2 4.710 . 4.710 4.583 4.330 4.715 0.005 9 0 "[ . 1 . 2]" 1
123 1 8 ASN QB 1 9 ARG H 3.050 . 3.050 2.449 2.357 2.569 . 0 0 "[ . 1 . 2]" 1
124 1 8 ASN QB 1 9 ARG HA 4.310 . 4.310 3.869 3.802 3.905 . 0 0 "[ . 1 . 2]" 1
125 1 8 ASN QB 1 9 ARG HG2 5.270 . 5.270 3.930 3.736 4.341 . 0 0 "[ . 1 . 2]" 1
126 1 8 ASN QB 1 11 VAL QG 4.700 . 4.700 4.050 3.766 4.262 . 0 0 "[ . 1 . 2]" 1
127 1 8 ASN QB 1 12 SER QB 4.880 . 4.880 4.463 3.805 4.868 . 0 0 "[ . 1 . 2]" 1
128 1 8 ASN HB2 1 9 ARG H 3.490 . 3.490 2.594 2.420 2.784 . 0 0 "[ . 1 . 2]" 1
129 1 8 ASN HB3 1 9 ARG H 3.490 . 3.490 3.038 2.833 3.249 . 0 0 "[ . 1 . 2]" 1
130 1 8 ASN HD21 1 9 ARG H 5.040 . 5.040 4.768 4.506 5.000 . 0 0 "[ . 1 . 2]" 1
131 1 9 ARG H 1 9 ARG HA 2.880 . 2.880 2.876 2.847 2.898 0.018 17 0 "[ . 1 . 2]" 1
132 1 9 ARG H 1 9 ARG QB 2.730 . 2.730 2.454 2.367 2.613 . 0 0 "[ . 1 . 2]" 1
133 1 9 ARG H 1 9 ARG QD 4.140 . 4.140 3.746 3.480 4.095 . 0 0 "[ . 1 . 2]" 1
134 1 9 ARG H 1 9 ARG HG2 2.970 . 2.970 2.000 1.855 2.642 . 0 0 "[ . 1 . 2]" 1
135 1 9 ARG H 1 9 ARG HG3 3.400 . 3.400 2.863 2.152 3.325 . 0 0 "[ . 1 . 2]" 1
136 1 9 ARG H 1 10 ALA H 2.920 . 2.920 2.630 2.537 2.734 . 0 0 "[ . 1 . 2]" 1
137 1 9 ARG H 1 10 ALA MB 4.390 . 4.390 4.159 4.036 4.287 . 0 0 "[ . 1 . 2]" 1
138 1 9 ARG H 1 11 VAL H 4.490 . 4.490 4.305 4.217 4.454 . 0 0 "[ . 1 . 2]" 1
139 1 9 ARG H 1 11 VAL QG 5.290 . 5.290 4.700 4.551 4.947 . 0 0 "[ . 1 . 2]" 1
140 1 9 ARG HA 1 12 SER H 3.610 . 3.610 3.472 3.290 3.539 . 0 0 "[ . 1 . 2]" 1
141 1 9 ARG QB 1 9 ARG HE 3.980 . 3.980 2.642 1.863 3.531 . 0 0 "[ . 1 . 2]" 1
142 1 9 ARG QB 1 10 ALA H 3.440 . 3.440 3.420 3.329 3.477 0.037 1 0 "[ . 1 . 2]" 1
143 1 9 ARG QB 1 11 VAL H 5.500 . 5.500 5.262 5.163 5.405 . 0 0 "[ . 1 . 2]" 1
144 1 9 ARG QB 1 12 SER H 4.950 . 4.950 4.936 4.805 4.974 0.024 7 0 "[ . 1 . 2]" 1
145 1 9 ARG HE 1 10 ALA HA 4.670 . 4.670 3.831 2.516 4.645 . 0 0 "[ . 1 . 2]" 1
146 1 9 ARG HE 1 10 ALA MB 4.240 . 4.240 3.879 1.848 4.251 0.011 2 0 "[ . 1 . 2]" 1
147 1 9 ARG HG3 1 10 ALA H 3.640 . 3.640 1.935 1.777 2.130 . 0 0 "[ . 1 . 2]" 1
148 1 9 ARG HG3 1 10 ALA HA 4.540 . 4.540 3.415 3.175 3.899 . 0 0 "[ . 1 . 2]" 1
149 1 9 ARG HG3 1 11 VAL H 5.090 . 5.090 4.536 4.394 4.768 . 0 0 "[ . 1 . 2]" 1
150 1 10 ALA H 1 10 ALA MB 2.700 . 2.700 2.034 1.911 2.152 . 0 0 "[ . 1 . 2]" 1
151 1 10 ALA H 1 11 VAL H 3.100 . 3.100 2.656 2.554 2.818 . 0 0 "[ . 1 . 2]" 1
152 1 10 ALA H 1 12 SER H 4.070 . 4.070 3.928 3.763 4.045 . 0 0 "[ . 1 . 2]" 1
153 1 10 ALA H 1 85 LEU QD 4.700 . 4.700 4.513 4.216 4.708 0.008 11 0 "[ . 1 . 2]" 1
154 1 10 ALA HA 1 11 VAL HA 5.010 . 5.010 4.790 4.766 4.824 . 0 0 "[ . 1 . 2]" 1
155 1 10 ALA HA 1 13 MET HG2 4.060 . 4.060 2.479 2.070 2.964 . 0 0 "[ . 1 . 2]" 1
156 1 10 ALA HA 1 13 MET QG 3.360 . 3.360 2.429 2.044 2.824 . 0 0 "[ . 1 . 2]" 1
157 1 10 ALA HA 1 13 MET HG3 4.060 . 4.060 3.537 3.166 3.887 . 0 0 "[ . 1 . 2]" 1
158 1 10 ALA HA 1 14 VAL H 4.830 . 4.830 4.513 4.295 4.720 . 0 0 "[ . 1 . 2]" 1
159 1 10 ALA HA 1 14 VAL HB 5.500 . 5.500 5.439 5.290 5.512 0.012 18 0 "[ . 1 . 2]" 1
160 1 10 ALA HA 1 83 VAL QG 5.440 . 5.440 5.267 4.962 5.444 0.004 20 0 "[ . 1 . 2]" 1
161 1 10 ALA HA 1 85 LEU QD 4.390 . 4.390 4.072 3.761 4.359 . 0 0 "[ . 1 . 2]" 1
162 1 10 ALA HA 1 101 MET ME 3.710 . 3.710 3.526 3.292 3.715 0.005 8 0 "[ . 1 . 2]" 1
163 1 10 ALA MB 1 11 VAL H 3.350 . 3.350 2.450 2.239 2.619 . 0 0 "[ . 1 . 2]" 1
164 1 10 ALA MB 1 11 VAL HA 4.100 . 4.100 3.809 3.724 3.897 . 0 0 "[ . 1 . 2]" 1
165 1 10 ALA MB 1 11 VAL QG 4.360 . 4.360 3.881 3.821 3.934 . 0 0 "[ . 1 . 2]" 1
166 1 10 ALA MB 1 83 VAL QG 3.900 . 3.900 3.610 3.210 3.850 . 0 0 "[ . 1 . 2]" 1
167 1 10 ALA MB 1 85 LEU QD 2.940 . 2.940 2.107 1.827 2.293 . 0 0 "[ . 1 . 2]" 1
168 1 11 VAL H 1 11 VAL HB 2.870 . 2.870 2.006 1.992 2.029 . 0 0 "[ . 1 . 2]" 1
169 1 11 VAL H 1 11 VAL MG1 3.470 . 3.470 2.800 2.684 2.927 . 0 0 "[ . 1 . 2]" 1
170 1 11 VAL H 1 11 VAL MG2 3.470 . 3.470 3.492 3.463 3.510 0.040 2 0 "[ . 1 . 2]" 1
171 1 11 VAL H 1 12 SER H 2.880 . 2.880 2.568 2.510 2.661 . 0 0 "[ . 1 . 2]" 1
172 1 11 VAL H 1 12 SER QB 4.760 . 4.760 4.194 4.071 4.421 . 0 0 "[ . 1 . 2]" 1
173 1 11 VAL H 1 13 MET H 4.500 . 4.500 4.472 4.346 4.514 0.014 9 0 "[ . 1 . 2]" 1
174 1 11 VAL H 1 14 VAL HB 5.170 . 5.170 4.766 4.603 4.911 . 0 0 "[ . 1 . 2]" 1
175 1 11 VAL H 1 85 LEU QD 4.910 . 4.910 4.782 4.596 4.908 . 0 0 "[ . 1 . 2]" 1
176 1 11 VAL H 1 101 MET ME 5.380 . 5.380 4.597 4.260 4.935 . 0 0 "[ . 1 . 2]" 1
177 1 11 VAL HA 1 11 VAL MG1 3.230 . 3.230 3.109 3.090 3.134 . 0 0 "[ . 1 . 2]" 1
178 1 11 VAL HA 1 11 VAL MG2 3.230 . 3.230 1.954 1.911 2.009 . 0 0 "[ . 1 . 2]" 1
179 1 11 VAL HA 1 13 MET H 4.680 . 4.680 4.559 4.415 4.674 . 0 0 "[ . 1 . 2]" 1
180 1 11 VAL HA 1 14 VAL H 3.530 . 3.530 3.300 3.108 3.444 . 0 0 "[ . 1 . 2]" 1
181 1 11 VAL HA 1 14 VAL HB 3.520 . 3.520 2.172 1.894 2.452 . 0 0 "[ . 1 . 2]" 1
182 1 11 VAL HA 1 14 VAL MG2 3.640 . 3.640 2.919 2.541 3.324 . 0 0 "[ . 1 . 2]" 1
183 1 11 VAL HA 1 15 GLU H 3.890 . 3.890 3.735 3.569 3.891 0.001 11 0 "[ . 1 . 2]" 1
184 1 11 VAL HA 1 83 VAL QG 4.400 . 4.400 3.393 3.010 3.841 . 0 0 "[ . 1 . 2]" 1
185 1 11 VAL HB 1 12 SER H 3.500 . 3.500 3.488 3.414 3.516 0.016 16 0 "[ . 1 . 2]" 1
186 1 11 VAL HB 1 14 VAL HB 5.500 . 5.500 4.899 4.626 5.174 . 0 0 "[ . 1 . 2]" 1
187 1 11 VAL QG 1 12 SER H 3.080 . 3.080 2.113 1.934 2.248 . 0 0 "[ . 1 . 2]" 1
188 1 11 VAL QG 1 12 SER HA 3.740 . 3.740 2.908 2.856 2.954 . 0 0 "[ . 1 . 2]" 1
189 1 11 VAL QG 1 12 SER QB 4.370 . 4.370 3.154 2.837 3.616 . 0 0 "[ . 1 . 2]" 1
190 1 11 VAL QG 1 13 MET H 4.620 . 4.620 4.306 4.210 4.377 . 0 0 "[ . 1 . 2]" 1
191 1 11 VAL QG 1 14 VAL HB 4.170 . 4.170 3.155 2.826 3.534 . 0 0 "[ . 1 . 2]" 1
192 1 11 VAL QG 1 15 GLU H 3.820 . 3.820 3.645 3.402 3.819 . 0 0 "[ . 1 . 2]" 1
193 1 11 VAL QG 1 15 GLU QG 3.510 . 3.510 3.254 2.586 3.514 0.004 1 0 "[ . 1 . 2]" 1
194 1 11 VAL QG 1 38 ALA HA 4.900 . 4.900 3.928 3.760 4.091 . 0 0 "[ . 1 . 2]" 1
195 1 11 VAL QG 1 38 ALA MB 2.740 . 2.740 1.686 1.588 1.825 . 0 0 "[ . 1 . 2]" 1
196 1 11 VAL QG 1 39 TYR H 4.740 . 4.740 4.467 4.023 4.728 . 0 0 "[ . 1 . 2]" 1
197 1 11 VAL QG 1 74 VAL HA 5.440 . 5.440 4.086 3.848 4.368 . 0 0 "[ . 1 . 2]" 1
198 1 11 VAL QG 1 74 VAL QG 3.570 . 3.570 2.195 1.960 2.438 . 0 0 "[ . 1 . 2]" 1
199 1 11 VAL MG1 1 12 SER H 4.330 . 4.330 2.120 1.938 2.257 . 0 0 "[ . 1 . 2]" 1
200 1 11 VAL MG1 1 12 SER HA 4.960 . 4.960 2.933 2.881 2.980 . 0 0 "[ . 1 . 2]" 1
201 1 11 VAL MG1 1 14 VAL H 4.920 . 4.920 4.637 4.500 4.758 . 0 0 "[ . 1 . 2]" 1
202 1 11 VAL MG1 1 15 GLU H 4.410 . 4.410 4.093 3.870 4.385 . 0 0 "[ . 1 . 2]" 1
203 1 11 VAL MG1 1 38 ALA MB 3.200 . 3.200 2.815 2.267 3.210 0.010 8 0 "[ . 1 . 2]" 1
204 1 11 VAL MG2 1 12 SER H 4.330 . 4.330 4.145 4.084 4.209 . 0 0 "[ . 1 . 2]" 1
205 1 11 VAL MG2 1 12 SER HA 4.960 . 4.960 4.787 4.684 4.905 . 0 0 "[ . 1 . 2]" 1
206 1 11 VAL MG2 1 14 VAL H 4.920 . 4.920 4.634 4.421 4.826 . 0 0 "[ . 1 . 2]" 1
207 1 11 VAL MG2 1 15 GLU H 4.410 . 4.410 4.093 3.772 4.282 . 0 0 "[ . 1 . 2]" 1
208 1 11 VAL MG2 1 38 ALA MB 3.200 . 3.200 1.702 1.597 1.856 . 0 0 "[ . 1 . 2]" 1
209 1 12 SER H 1 12 SER QB 2.500 . 2.500 2.065 1.935 2.250 . 0 0 "[ . 1 . 2]" 1
210 1 12 SER H 1 13 MET HB3 5.480 . 5.480 5.228 5.111 5.407 . 0 0 "[ . 1 . 2]" 1
211 1 12 SER H 1 14 VAL HB 5.290 . 5.290 4.740 4.621 4.877 . 0 0 "[ . 1 . 2]" 1
212 1 12 SER H 1 15 GLU QG 4.370 . 4.370 4.213 3.929 4.374 0.004 1 0 "[ . 1 . 2]" 1
213 1 12 SER HA 1 14 VAL H 4.350 . 4.350 4.352 4.309 4.380 0.030 16 0 "[ . 1 . 2]" 1
214 1 12 SER HA 1 15 GLU H 4.030 . 4.030 3.721 3.536 3.850 . 0 0 "[ . 1 . 2]" 1
215 1 12 SER HA 1 15 GLU HB3 4.690 . 4.690 4.151 3.866 4.502 . 0 0 "[ . 1 . 2]" 1
216 1 12 SER HA 1 15 GLU QG 3.370 . 3.370 2.181 1.895 2.404 . 0 0 "[ . 1 . 2]" 1
217 1 12 SER HA 1 16 LYS QB 5.090 . 5.090 4.266 3.885 4.522 . 0 0 "[ . 1 . 2]" 1
218 1 12 SER QB 1 13 MET H 2.960 . 2.960 2.359 2.206 2.562 . 0 0 "[ . 1 . 2]" 1
219 1 12 SER QB 1 13 MET QG 5.320 . 5.320 3.763 3.610 4.149 . 0 0 "[ . 1 . 2]" 1
220 1 12 SER QB 1 15 GLU H 5.250 . 5.250 5.063 4.897 5.212 . 0 0 "[ . 1 . 2]" 1
221 1 12 SER QB 1 16 LYS QG 4.800 . 4.800 4.340 3.675 4.800 . 0 0 "[ . 1 . 2]" 1
222 1 13 MET H 1 13 MET HB2 3.700 . 3.700 3.536 3.522 3.555 . 0 0 "[ . 1 . 2]" 1
223 1 13 MET H 1 13 MET HB3 2.910 . 2.910 2.495 2.340 2.590 . 0 0 "[ . 1 . 2]" 1
224 1 13 MET H 1 13 MET HG2 3.390 . 3.390 2.055 1.849 3.073 . 0 0 "[ . 1 . 2]" 1
225 1 13 MET H 1 13 MET HG3 3.390 . 3.390 2.816 2.303 3.318 . 0 0 "[ . 1 . 2]" 1
226 1 13 MET H 1 14 VAL H 3.030 . 3.030 2.569 2.509 2.631 . 0 0 "[ . 1 . 2]" 1
227 1 13 MET H 1 14 VAL HB 5.500 . 5.500 4.521 4.385 4.622 . 0 0 "[ . 1 . 2]" 1
228 1 13 MET H 1 14 VAL MG2 4.290 . 4.290 4.178 3.946 4.282 . 0 0 "[ . 1 . 2]" 1
229 1 13 MET H 1 15 GLU H 4.560 . 4.560 4.301 4.183 4.493 . 0 0 "[ . 1 . 2]" 1
230 1 13 MET H 1 15 GLU QG 5.500 . 5.500 4.265 4.069 4.448 . 0 0 "[ . 1 . 2]" 1
231 1 13 MET H 1 16 LYS QB 5.490 . 5.490 5.332 5.135 5.493 0.003 7 0 "[ . 1 . 2]" 1
232 1 13 MET H 1 16 LYS QG 4.220 . 4.220 3.991 3.780 4.185 . 0 0 "[ . 1 . 2]" 1
233 1 13 MET HA 1 13 MET QG 3.620 . 3.620 3.314 3.303 3.377 . 0 0 "[ . 1 . 2]" 1
234 1 13 MET HA 1 14 VAL H 3.540 . 3.540 3.526 3.517 3.535 . 0 0 "[ . 1 . 2]" 1
235 1 13 MET HA 1 15 GLU H 4.930 . 4.930 4.620 4.420 4.912 . 0 0 "[ . 1 . 2]" 1
236 1 13 MET HA 1 16 LYS H 3.830 . 3.830 3.579 3.468 3.727 . 0 0 "[ . 1 . 2]" 1
237 1 13 MET HA 1 16 LYS QB 4.640 . 4.640 3.776 3.630 3.935 . 0 0 "[ . 1 . 2]" 1
238 1 13 MET HA 1 16 LYS QG 3.980 . 3.980 1.856 1.758 1.984 . 0 0 "[ . 1 . 2]" 1
239 1 13 MET HA 1 17 ASN H 4.510 . 4.510 4.016 3.712 4.374 . 0 0 "[ . 1 . 2]" 1
240 1 13 MET HA 1 113 LEU QD 5.110 . 5.110 4.733 4.386 5.061 . 0 0 "[ . 1 . 2]" 1
241 1 13 MET HB2 1 14 VAL H 4.200 . 4.200 3.828 3.755 4.009 . 0 0 "[ . 1 . 2]" 1
242 1 13 MET HB2 1 113 LEU QD 3.590 . 3.590 3.439 3.141 3.601 0.011 4 0 "[ . 1 . 2]" 1
243 1 13 MET HB3 1 14 VAL MG2 4.920 . 4.920 4.759 4.630 4.866 . 0 0 "[ . 1 . 2]" 1
244 1 13 MET QG 1 14 VAL MG1 5.340 . 5.340 4.346 4.237 4.506 . 0 0 "[ . 1 . 2]" 1
245 1 13 MET QG 1 14 VAL MG2 3.690 . 3.690 2.082 1.841 2.530 . 0 0 "[ . 1 . 2]" 1
246 1 13 MET QG 1 15 GLU H 5.340 . 5.340 4.280 4.199 4.420 . 0 0 "[ . 1 . 2]" 1
247 1 13 MET QG 1 101 MET ME 4.010 . 4.010 3.640 3.335 3.935 . 0 0 "[ . 1 . 2]" 1
248 1 13 MET QG 1 113 LEU QD 4.090 . 4.090 3.287 2.487 3.912 . 0 0 "[ . 1 . 2]" 1
249 1 13 MET HG2 1 14 VAL H 4.140 . 4.140 2.825 2.202 3.552 . 0 0 "[ . 1 . 2]" 1
250 1 13 MET HG2 1 101 MET ME 4.670 . 4.670 4.352 3.970 4.666 . 0 0 "[ . 1 . 2]" 1
251 1 13 MET HG3 1 14 VAL H 4.140 . 4.140 1.993 1.808 2.534 . 0 0 "[ . 1 . 2]" 1
252 1 13 MET HG3 1 101 MET ME 4.670 . 4.670 3.910 3.504 4.238 . 0 0 "[ . 1 . 2]" 1
253 1 14 VAL H 1 14 VAL HB 2.670 . 2.670 2.217 2.158 2.294 . 0 0 "[ . 1 . 2]" 1
254 1 14 VAL H 1 14 VAL MG1 3.800 . 3.800 3.662 3.636 3.690 . 0 0 "[ . 1 . 2]" 1
255 1 14 VAL H 1 14 VAL MG2 2.810 . 2.810 2.422 2.225 2.559 . 0 0 "[ . 1 . 2]" 1
256 1 14 VAL H 1 15 GLU H 3.000 . 3.000 2.612 2.550 2.709 . 0 0 "[ . 1 . 2]" 1
257 1 14 VAL H 1 15 GLU QG 4.930 . 4.930 3.795 3.591 4.040 . 0 0 "[ . 1 . 2]" 1
258 1 14 VAL H 1 16 LYS H 3.980 . 3.980 3.854 3.729 3.961 . 0 0 "[ . 1 . 2]" 1
259 1 14 VAL H 1 16 LYS QG 4.830 . 4.830 4.045 3.841 4.209 . 0 0 "[ . 1 . 2]" 1
260 1 14 VAL H 1 17 ASN H 4.930 . 4.930 4.541 4.381 4.781 . 0 0 "[ . 1 . 2]" 1
261 1 14 VAL H 1 101 MET ME 4.790 . 4.790 4.469 4.215 4.683 . 0 0 "[ . 1 . 2]" 1
262 1 14 VAL HA 1 14 VAL MG1 3.300 . 3.300 2.467 2.385 2.536 . 0 0 "[ . 1 . 2]" 1
263 1 14 VAL HA 1 14 VAL MG2 3.060 . 3.060 2.250 2.081 2.331 . 0 0 "[ . 1 . 2]" 1
264 1 14 VAL HA 1 16 LYS H 4.340 . 4.340 4.189 3.996 4.342 0.002 13 0 "[ . 1 . 2]" 1
265 1 14 VAL HA 1 17 ASN H 3.850 . 3.850 3.483 3.206 3.639 . 0 0 "[ . 1 . 2]" 1
266 1 14 VAL HA 1 17 ASN QB 4.840 . 4.840 2.508 2.141 2.786 . 0 0 "[ . 1 . 2]" 1
267 1 14 VAL HA 1 113 LEU HB2 5.480 . 5.480 5.112 4.681 5.420 . 0 0 "[ . 1 . 2]" 1
268 1 14 VAL HA 1 113 LEU MD1 4.160 . 4.160 3.031 2.008 4.022 . 0 0 "[ . 1 . 2]" 1
269 1 14 VAL HA 1 113 LEU QD 3.510 . 3.510 2.404 1.924 3.064 . 0 0 "[ . 1 . 2]" 1
270 1 14 VAL HA 1 113 LEU MD2 4.160 . 4.160 2.660 1.960 3.177 . 0 0 "[ . 1 . 2]" 1
271 1 14 VAL HB 1 15 GLU H 2.810 . 2.810 2.558 2.359 2.657 . 0 0 "[ . 1 . 2]" 1
272 1 14 VAL HB 1 38 ALA MB 5.500 . 5.500 5.443 5.267 5.506 0.006 3 0 "[ . 1 . 2]" 1
273 1 14 VAL MG1 1 15 GLU H 3.450 . 3.450 3.155 2.875 3.367 . 0 0 "[ . 1 . 2]" 1
274 1 14 VAL MG1 1 15 GLU HA 4.040 . 4.040 3.327 3.100 3.534 . 0 0 "[ . 1 . 2]" 1
275 1 14 VAL MG2 1 15 GLU H 4.090 . 4.090 3.945 3.865 4.007 . 0 0 "[ . 1 . 2]" 1
276 1 14 VAL MG2 1 16 LYS H 5.480 . 5.480 5.207 5.064 5.304 . 0 0 "[ . 1 . 2]" 1
277 1 14 VAL MG2 1 101 MET ME 2.700 . 2.700 1.870 1.729 2.110 . 0 0 "[ . 1 . 2]" 1
278 1 14 VAL MG2 1 101 MET QG 4.780 . 4.780 3.485 2.746 4.123 . 0 0 "[ . 1 . 2]" 1
279 1 15 GLU H 1 15 GLU HB3 3.170 . 3.170 2.410 2.252 2.521 . 0 0 "[ . 1 . 2]" 1
280 1 15 GLU H 1 15 GLU QG 2.980 . 2.980 2.049 1.853 2.364 . 0 0 "[ . 1 . 2]" 1
281 1 15 GLU H 1 16 LYS H 2.940 . 2.940 2.536 2.458 2.679 . 0 0 "[ . 1 . 2]" 1
282 1 15 GLU H 1 16 LYS QG 4.430 . 4.430 4.013 3.757 4.201 . 0 0 "[ . 1 . 2]" 1
283 1 15 GLU H 1 17 ASN H 3.940 . 3.940 3.912 3.836 3.949 0.009 17 0 "[ . 1 . 2]" 1
284 1 15 GLU HA 1 15 GLU QG 3.560 . 3.560 3.322 3.291 3.419 . 0 0 "[ . 1 . 2]" 1
285 1 15 GLU HA 1 16 LYS HA 4.840 . 4.840 4.661 4.631 4.707 . 0 0 "[ . 1 . 2]" 1
286 1 15 GLU HA 1 17 ASN H 4.290 . 4.290 4.208 4.026 4.293 0.003 15 0 "[ . 1 . 2]" 1
287 1 15 GLU HA 1 36 LEU QD 3.650 . 3.650 2.411 1.787 2.828 . 0 0 "[ . 1 . 2]" 1
288 1 15 GLU HB2 1 16 LYS H 4.150 . 4.150 4.060 3.825 4.153 0.003 12 0 "[ . 1 . 2]" 1
289 1 15 GLU HB2 1 36 LEU H 4.330 . 4.330 3.661 2.544 4.231 . 0 0 "[ . 1 . 2]" 1
290 1 15 GLU HB2 1 36 LEU QD 4.180 . 4.180 1.989 1.713 2.466 . 0 0 "[ . 1 . 2]" 1
291 1 15 GLU HB3 1 16 LYS H 4.310 . 4.310 4.006 3.880 4.082 . 0 0 "[ . 1 . 2]" 1
292 1 15 GLU HB3 1 36 LEU HB2 4.890 . 4.890 3.042 2.201 3.520 . 0 0 "[ . 1 . 2]" 1
293 1 15 GLU HB3 1 36 LEU QD 4.120 . 4.120 3.030 2.591 3.621 . 0 0 "[ . 1 . 2]" 1
294 1 15 GLU QG 1 16 LYS H 3.420 . 3.420 2.181 1.867 2.370 . 0 0 "[ . 1 . 2]" 1
295 1 15 GLU QG 1 17 ASN H 4.400 . 4.400 4.128 3.983 4.311 . 0 0 "[ . 1 . 2]" 1
296 1 15 GLU QG 1 36 LEU H 4.650 . 4.650 4.531 4.065 4.657 0.007 1 0 "[ . 1 . 2]" 1
297 1 15 GLU QG 1 36 LEU QD 3.840 . 3.840 3.567 3.022 3.839 . 0 0 "[ . 1 . 2]" 1
298 1 16 LYS H 1 16 LYS QB 2.770 . 2.770 2.504 2.352 2.574 . 0 0 "[ . 1 . 2]" 1
299 1 16 LYS H 1 16 LYS QG 3.130 . 3.130 2.149 1.972 2.291 . 0 0 "[ . 1 . 2]" 1
300 1 16 LYS H 1 17 ASN H 2.820 . 2.820 2.193 2.069 2.338 . 0 0 "[ . 1 . 2]" 1
301 1 16 LYS H 1 17 ASN HA 5.010 . 5.010 4.760 4.629 4.892 . 0 0 "[ . 1 . 2]" 1
302 1 16 LYS H 1 17 ASN QB 4.170 . 4.170 3.808 3.700 3.952 . 0 0 "[ . 1 . 2]" 1
303 1 16 LYS H 1 36 LEU QD 5.310 . 5.310 4.656 4.253 4.988 . 0 0 "[ . 1 . 2]" 1
304 1 16 LYS HA 1 16 LYS QG 3.530 . 3.530 3.325 3.288 3.390 . 0 0 "[ . 1 . 2]" 1
305 1 16 LYS QB 1 17 ASN H 3.650 . 3.650 3.650 3.631 3.659 0.009 8 0 "[ . 1 . 2]" 1
306 1 16 LYS QG 1 17 ASN H 3.950 . 3.950 2.317 2.069 2.560 . 0 0 "[ . 1 . 2]" 1
307 1 16 LYS QG 1 17 ASN HA 3.520 . 3.520 3.168 2.958 3.486 . 0 0 "[ . 1 . 2]" 1
308 1 17 ASN H 1 17 ASN QB 2.950 . 2.950 2.023 1.931 2.180 . 0 0 "[ . 1 . 2]" 1
309 1 17 ASN H 1 17 ASN HD21 5.070 . 5.070 4.942 4.656 5.064 . 0 0 "[ . 1 . 2]" 1
310 1 17 ASN H 1 18 LYS H 4.710 . 4.710 4.551 4.427 4.618 . 0 0 "[ . 1 . 2]" 1
311 1 17 ASN H 1 20 ILE HB 4.460 . 4.460 4.069 3.609 4.450 . 0 0 "[ . 1 . 2]" 1
312 1 17 ASN H 1 21 ARG H 5.500 . 5.500 5.170 4.677 5.506 0.006 7 0 "[ . 1 . 2]" 1
313 1 17 ASN HA 1 17 ASN HD21 4.180 . 4.180 3.814 3.445 4.060 . 0 0 "[ . 1 . 2]" 1
314 1 17 ASN HA 1 17 ASN HD22 4.370 . 4.370 4.146 3.894 4.384 0.014 6 0 "[ . 1 . 2]" 1
315 1 17 ASN HA 1 18 LYS H 2.730 . 2.730 2.215 2.203 2.241 . 0 0 "[ . 1 . 2]" 1
316 1 17 ASN HA 1 18 LYS HA 4.740 . 4.740 4.496 4.468 4.550 . 0 0 "[ . 1 . 2]" 1
317 1 17 ASN HA 1 18 LYS QB 4.770 . 4.770 4.400 4.226 4.554 . 0 0 "[ . 1 . 2]" 1
318 1 17 ASN HA 1 19 ASP H 4.120 . 4.120 3.860 3.640 4.123 0.003 4 0 "[ . 1 . 2]" 1
319 1 17 ASN QB 1 17 ASN HD22 3.800 . 3.800 3.298 3.272 3.335 . 0 0 "[ . 1 . 2]" 1
320 1 17 ASN QB 1 18 LYS H 4.040 . 4.040 3.778 3.633 3.925 . 0 0 "[ . 1 . 2]" 1
321 1 17 ASN QB 1 113 LEU MD1 4.500 . 4.500 2.950 2.122 3.663 . 0 0 "[ . 1 . 2]" 1
322 1 17 ASN QB 1 113 LEU QD 3.690 . 3.690 2.491 2.090 2.779 . 0 0 "[ . 1 . 2]" 1
323 1 17 ASN QB 1 113 LEU MD2 4.500 . 4.500 2.850 2.258 3.564 . 0 0 "[ . 1 . 2]" 1
324 1 17 ASN HD21 1 19 ASP HB2 3.840 . 3.840 2.513 1.858 3.848 0.008 16 0 "[ . 1 . 2]" 1
325 1 17 ASN HD21 1 20 ILE MD 4.650 . 4.650 3.712 2.985 4.650 . 0 0 "[ . 1 . 2]" 1
326 1 17 ASN HD21 1 20 ILE HG12 3.870 . 3.870 2.405 1.869 3.686 . 0 0 "[ . 1 . 2]" 1
327 1 17 ASN HD21 1 20 ILE HG13 4.960 . 4.960 3.655 3.127 4.682 . 0 0 "[ . 1 . 2]" 1
328 1 17 ASN HD21 1 113 LEU QD 3.640 . 3.640 2.351 1.663 3.170 . 0 0 "[ . 1 . 2]" 1
329 1 17 ASN HD22 1 19 ASP H 4.170 . 4.170 3.762 3.347 4.118 . 0 0 "[ . 1 . 2]" 1
330 1 17 ASN HD22 1 19 ASP HB2 4.160 . 4.160 2.717 2.259 3.201 . 0 0 "[ . 1 . 2]" 1
331 1 17 ASN HD22 1 20 ILE H 4.710 . 4.710 3.935 3.593 4.393 . 0 0 "[ . 1 . 2]" 1
332 1 17 ASN HD22 1 20 ILE MD 4.610 . 4.610 4.311 4.029 4.592 . 0 0 "[ . 1 . 2]" 1
333 1 17 ASN HD22 1 111 TYR QD 5.500 . 5.500 4.823 4.052 5.295 . 0 0 "[ . 1 . 2]" 1
334 1 17 ASN HD22 1 113 LEU MD1 4.250 . 4.250 2.731 1.905 3.424 . 0 0 "[ . 1 . 2]" 1
335 1 17 ASN HD22 1 113 LEU QD 3.620 . 3.620 2.464 1.775 3.079 . 0 0 "[ . 1 . 2]" 1
336 1 17 ASN HD22 1 113 LEU MD2 4.250 . 4.250 2.911 2.120 3.782 . 0 0 "[ . 1 . 2]" 1
337 1 18 LYS H 1 18 LYS QB 2.820 . 2.820 2.392 2.229 2.558 . 0 0 "[ . 1 . 2]" 1
338 1 18 LYS H 1 18 LYS QD 3.890 . 3.890 3.168 2.019 3.821 . 0 0 "[ . 1 . 2]" 1
339 1 18 LYS H 1 18 LYS QG 3.640 . 3.640 1.977 1.796 2.235 . 0 0 "[ . 1 . 2]" 1
340 1 18 LYS H 1 19 ASP H 3.170 . 3.170 2.692 2.633 2.855 . 0 0 "[ . 1 . 2]" 1
341 1 18 LYS H 1 19 ASP HB2 5.150 . 5.150 4.705 4.397 5.009 . 0 0 "[ . 1 . 2]" 1
342 1 18 LYS H 1 20 ILE H 4.690 . 4.690 4.411 4.142 4.569 . 0 0 "[ . 1 . 2]" 1
343 1 18 LYS HA 1 18 LYS QG 3.540 . 3.540 3.136 2.470 3.337 . 0 0 "[ . 1 . 2]" 1
344 1 18 LYS HA 1 21 ARG H 3.640 . 3.640 3.427 3.272 3.584 . 0 0 "[ . 1 . 2]" 1
345 1 18 LYS HA 1 22 SER H 4.820 . 4.820 4.560 4.303 4.805 . 0 0 "[ . 1 . 2]" 1
346 1 18 LYS QB 1 18 LYS QE 4.400 . 4.400 2.887 1.862 3.589 . 0 0 "[ . 1 . 2]" 1
347 1 18 LYS QB 1 19 ASP H 3.640 . 3.640 3.174 2.313 3.537 . 0 0 "[ . 1 . 2]" 1
348 1 18 LYS QD 1 19 ASP H 4.340 . 4.340 4.003 3.468 4.361 0.021 18 0 "[ . 1 . 2]" 1
349 1 18 LYS QG 1 19 ASP H 3.810 . 3.810 2.386 1.798 3.848 0.038 19 0 "[ . 1 . 2]" 1
350 1 19 ASP H 1 19 ASP HB2 2.770 . 2.770 2.324 2.062 2.583 . 0 0 "[ . 1 . 2]" 1
351 1 19 ASP H 1 19 ASP HB3 3.690 . 3.690 3.505 3.432 3.539 . 0 0 "[ . 1 . 2]" 1
352 1 19 ASP H 1 20 ILE H 2.830 . 2.830 2.750 2.630 2.840 0.010 4 0 "[ . 1 . 2]" 1
353 1 19 ASP H 1 20 ILE HB 5.360 . 5.360 4.845 4.718 4.945 . 0 0 "[ . 1 . 2]" 1
354 1 19 ASP H 1 20 ILE HG12 4.700 . 4.700 4.228 4.058 4.435 . 0 0 "[ . 1 . 2]" 1
355 1 19 ASP H 1 21 ARG H 4.050 . 4.050 3.995 3.839 4.062 0.012 20 0 "[ . 1 . 2]" 1
356 1 19 ASP HA 1 22 SER QB 3.690 . 3.690 3.459 3.136 3.698 0.008 15 0 "[ . 1 . 2]" 1
357 1 19 ASP HB2 1 20 ILE H 3.270 . 3.270 2.473 2.280 2.704 . 0 0 "[ . 1 . 2]" 1
358 1 19 ASP HB2 1 20 ILE HA 5.000 . 5.000 4.487 4.230 4.853 . 0 0 "[ . 1 . 2]" 1
359 1 19 ASP HB2 1 20 ILE HG12 4.390 . 4.390 3.057 2.806 3.496 . 0 0 "[ . 1 . 2]" 1
360 1 19 ASP HB2 1 20 ILE HG13 5.500 . 5.500 4.794 4.539 5.243 . 0 0 "[ . 1 . 2]" 1
361 1 19 ASP HB3 1 20 ILE H 3.800 . 3.800 3.414 3.028 3.681 . 0 0 "[ . 1 . 2]" 1
362 1 19 ASP HB3 1 20 ILE MD 4.840 . 4.840 3.531 3.108 3.981 . 0 0 "[ . 1 . 2]" 1
363 1 19 ASP HB3 1 22 SER QB 5.500 . 5.500 5.151 4.867 5.446 . 0 0 "[ . 1 . 2]" 1
364 1 19 ASP HB3 1 111 TYR QE 4.400 . 4.400 2.456 1.882 3.210 . 0 0 "[ . 1 . 2]" 1
365 1 20 ILE H 1 20 ILE HB 2.990 . 2.990 2.411 2.337 2.487 . 0 0 "[ . 1 . 2]" 1
366 1 20 ILE H 1 20 ILE MD 3.200 . 3.200 3.032 2.714 3.199 . 0 0 "[ . 1 . 2]" 1
367 1 20 ILE H 1 20 ILE HG12 3.180 . 3.180 2.010 1.905 2.157 . 0 0 "[ . 1 . 2]" 1
368 1 20 ILE H 1 20 ILE HG13 4.200 . 4.200 3.493 3.378 3.608 . 0 0 "[ . 1 . 2]" 1
369 1 20 ILE H 1 20 ILE MG 3.900 . 3.900 3.707 3.695 3.716 . 0 0 "[ . 1 . 2]" 1
370 1 20 ILE H 1 21 ARG H 3.270 . 3.270 2.569 2.488 2.668 . 0 0 "[ . 1 . 2]" 1
371 1 20 ILE H 1 21 ARG HA 5.310 . 5.310 5.219 5.149 5.312 0.002 7 0 "[ . 1 . 2]" 1
372 1 20 ILE H 1 21 ARG QB 4.400 . 4.400 4.189 4.060 4.325 . 0 0 "[ . 1 . 2]" 1
373 1 20 ILE H 1 22 SER H 4.280 . 4.280 4.247 4.151 4.292 0.012 19 0 "[ . 1 . 2]" 1
374 1 20 ILE H 1 23 LEU H 5.320 . 5.320 5.131 4.936 5.248 . 0 0 "[ . 1 . 2]" 1
375 1 20 ILE H 1 23 LEU QD 4.630 . 4.630 4.452 4.014 4.642 0.012 20 0 "[ . 1 . 2]" 1
376 1 20 ILE H 1 111 TYR QE 5.500 . 5.500 5.162 4.857 5.501 0.001 14 0 "[ . 1 . 2]" 1
377 1 20 ILE HA 1 20 ILE MD 3.460 . 3.460 1.918 1.813 2.048 . 0 0 "[ . 1 . 2]" 1
378 1 20 ILE HA 1 20 ILE HG12 3.900 . 3.900 3.134 3.018 3.296 . 0 0 "[ . 1 . 2]" 1
379 1 20 ILE HA 1 20 ILE MG 3.250 . 3.250 2.393 2.273 2.465 . 0 0 "[ . 1 . 2]" 1
380 1 20 ILE HA 1 22 SER H 4.310 . 4.310 4.030 3.857 4.173 . 0 0 "[ . 1 . 2]" 1
381 1 20 ILE HA 1 23 LEU H 3.330 . 3.330 3.215 3.065 3.321 . 0 0 "[ . 1 . 2]" 1
382 1 20 ILE HA 1 23 LEU QB 4.030 . 4.030 3.039 2.671 3.368 . 0 0 "[ . 1 . 2]" 1
383 1 20 ILE HA 1 23 LEU QD 3.490 . 3.490 2.382 1.895 2.687 . 0 0 "[ . 1 . 2]" 1
384 1 20 ILE HA 1 24 LEU H 4.590 . 4.590 4.214 3.964 4.574 . 0 0 "[ . 1 . 2]" 1
385 1 20 ILE HA 1 111 TYR QB 5.180 . 5.180 3.790 3.559 4.074 . 0 0 "[ . 1 . 2]" 1
386 1 20 ILE HB 1 21 ARG H 2.970 . 2.970 2.651 2.573 2.723 . 0 0 "[ . 1 . 2]" 1
387 1 20 ILE MD 1 103 VAL H 4.470 . 4.470 4.154 3.875 4.402 . 0 0 "[ . 1 . 2]" 1
388 1 20 ILE MD 1 111 TYR H 4.170 . 4.170 3.811 3.438 4.060 . 0 0 "[ . 1 . 2]" 1
389 1 20 ILE MD 1 111 TYR QB 3.560 . 3.560 1.970 1.697 2.322 . 0 0 "[ . 1 . 2]" 1
390 1 20 ILE MD 1 111 TYR QD 3.670 . 3.670 2.317 1.813 2.767 . 0 0 "[ . 1 . 2]" 1
391 1 20 ILE MD 1 112 TYR HA 5.010 . 5.010 4.937 4.785 5.019 0.009 6 0 "[ . 1 . 2]" 1
392 1 20 ILE MD 1 113 LEU H 5.380 . 5.380 4.942 4.564 5.201 . 0 0 "[ . 1 . 2]" 1
393 1 20 ILE MD 1 113 LEU HA 4.890 . 4.890 4.243 3.804 4.576 . 0 0 "[ . 1 . 2]" 1
394 1 20 ILE MD 1 113 LEU QD 2.740 . 2.740 2.336 1.879 2.724 . 0 0 "[ . 1 . 2]" 1
395 1 20 ILE HG13 1 111 TYR QB 5.340 . 5.340 4.375 4.018 4.836 . 0 0 "[ . 1 . 2]" 1
396 1 20 ILE HG13 1 113 LEU QD 3.170 . 3.170 2.042 1.767 2.317 . 0 0 "[ . 1 . 2]" 1
397 1 20 ILE MG 1 21 ARG H 3.870 . 3.870 3.579 3.472 3.655 . 0 0 "[ . 1 . 2]" 1
398 1 20 ILE MG 1 21 ARG HA 3.800 . 3.800 3.719 3.544 3.812 0.012 1 0 "[ . 1 . 2]" 1
399 1 20 ILE MG 1 22 SER H 4.940 . 4.940 4.811 4.623 4.940 . 5 0 "[ . 1 . 2]" 1
400 1 20 ILE MG 1 23 LEU H 4.380 . 4.380 4.092 3.931 4.303 . 0 0 "[ . 1 . 2]" 1
401 1 20 ILE MG 1 24 LEU H 3.640 . 3.640 3.440 3.163 3.629 . 0 0 "[ . 1 . 2]" 1
402 1 20 ILE MG 1 111 TYR QD 5.240 . 5.240 4.904 4.591 5.201 . 0 0 "[ . 1 . 2]" 1
403 1 21 ARG H 1 21 ARG QB 3.230 . 3.230 2.093 1.929 2.178 . 0 0 "[ . 1 . 2]" 1
404 1 21 ARG H 1 22 SER H 3.050 . 3.050 2.801 2.727 2.850 . 0 0 "[ . 1 . 2]" 1
405 1 21 ARG H 1 22 SER QB 4.890 . 4.890 4.494 4.316 4.812 . 0 0 "[ . 1 . 2]" 1
406 1 21 ARG H 1 23 LEU H 4.460 . 4.460 4.296 4.101 4.393 . 0 0 "[ . 1 . 2]" 1
407 1 21 ARG HA 1 23 LEU H 4.590 . 4.590 4.351 4.174 4.582 . 0 0 "[ . 1 . 2]" 1
408 1 21 ARG QB 1 22 SER H 3.380 . 3.380 2.798 2.471 3.426 0.046 20 0 "[ . 1 . 2]" 1
409 1 22 SER H 1 22 SER HA 2.910 . 2.910 2.873 2.842 2.893 . 0 0 "[ . 1 . 2]" 1
410 1 22 SER H 1 22 SER QB 2.450 . 2.450 2.066 1.919 2.412 . 0 0 "[ . 1 . 2]" 1
411 1 22 SER H 1 22 SER HG 3.790 . 3.790 3.179 2.050 3.796 0.006 3 0 "[ . 1 . 2]" 1
412 1 22 SER H 1 23 LEU H 2.870 . 2.870 2.645 2.558 2.718 . 0 0 "[ . 1 . 2]" 1
413 1 22 SER H 1 23 LEU QB 5.080 . 5.080 4.721 4.643 4.816 . 0 0 "[ . 1 . 2]" 1
414 1 22 SER H 1 24 LEU H 4.280 . 4.280 4.173 4.000 4.287 0.007 6 0 "[ . 1 . 2]" 1
415 1 22 SER HA 1 23 LEU QD 5.440 . 5.440 4.626 4.222 4.933 . 0 0 "[ . 1 . 2]" 1
416 1 22 SER HA 1 23 LEU HG 5.500 . 5.500 5.087 4.953 5.260 . 0 0 "[ . 1 . 2]" 1
417 1 22 SER HA 1 25 GLN H 3.570 . 3.570 3.499 3.304 3.578 0.008 2 0 "[ . 1 . 2]" 1
418 1 22 SER QB 1 23 LEU H 3.200 . 3.200 2.904 2.486 3.216 0.016 3 0 "[ . 1 . 2]" 1
419 1 22 SER QB 1 23 LEU HG 4.460 . 4.460 3.488 2.828 4.116 . 0 0 "[ . 1 . 2]" 1
420 1 22 SER HG 1 23 LEU H 4.530 . 4.530 3.486 2.513 4.532 0.002 20 0 "[ . 1 . 2]" 1
421 1 23 LEU H 1 23 LEU HB2 3.620 . 3.620 2.533 2.494 2.602 . 0 0 "[ . 1 . 2]" 1
422 1 23 LEU H 1 23 LEU QB 3.020 . 3.020 2.480 2.446 2.539 . 0 0 "[ . 1 . 2]" 1
423 1 23 LEU H 1 23 LEU HB3 3.620 . 3.620 3.539 3.525 3.552 . 0 0 "[ . 1 . 2]" 1
424 1 23 LEU H 1 23 LEU MD1 3.720 . 3.720 3.450 3.271 3.556 . 0 0 "[ . 1 . 2]" 1
425 1 23 LEU H 1 23 LEU MD2 3.720 . 3.720 2.873 2.491 3.221 . 0 0 "[ . 1 . 2]" 1
426 1 23 LEU H 1 23 LEU HG 2.780 . 2.780 1.839 1.813 1.866 . 0 0 "[ . 1 . 2]" 1
427 1 23 LEU H 1 24 LEU HB2 4.720 . 4.720 4.407 4.299 4.696 . 0 0 "[ . 1 . 2]" 1
428 1 23 LEU HA 1 23 LEU MD1 4.020 . 4.020 3.805 3.720 3.885 . 0 0 "[ . 1 . 2]" 1
429 1 23 LEU HA 1 23 LEU QD 2.870 . 2.870 1.947 1.823 2.183 . 0 0 "[ . 1 . 2]" 1
430 1 23 LEU HA 1 23 LEU MD2 4.020 . 4.020 1.953 1.827 2.195 . 0 0 "[ . 1 . 2]" 1
431 1 23 LEU QB 1 23 LEU QD 2.860 . 2.860 1.922 1.871 1.955 . 0 0 "[ . 1 . 2]" 1
432 1 23 LEU QB 1 24 LEU H 3.520 . 3.520 2.405 2.266 2.550 . 0 0 "[ . 1 . 2]" 1
433 1 23 LEU QD 1 24 LEU H 4.500 . 4.500 3.898 3.814 3.977 . 0 0 "[ . 1 . 2]" 1
434 1 23 LEU QD 1 110 ARG HA 4.400 . 4.400 4.233 3.766 4.415 0.015 12 0 "[ . 1 . 2]" 1
435 1 23 LEU QD 1 111 TYR H 3.810 . 3.810 3.507 3.081 3.777 . 0 0 "[ . 1 . 2]" 1
436 1 23 LEU QD 1 111 TYR QD 3.830 . 3.830 2.452 1.762 3.327 . 0 0 "[ . 1 . 2]" 1
437 1 23 LEU HG 1 24 LEU H 3.890 . 3.890 3.883 3.763 3.914 0.024 6 0 "[ . 1 . 2]" 1
438 1 24 LEU H 1 24 LEU HB2 3.340 . 3.340 2.051 1.959 2.287 . 0 0 "[ . 1 . 2]" 1
439 1 24 LEU H 1 24 LEU HB3 3.410 . 3.410 3.158 2.605 3.417 0.007 5 0 "[ . 1 . 2]" 1
440 1 24 LEU H 1 24 LEU QD 4.530 . 4.530 2.968 2.272 3.621 . 0 0 "[ . 1 . 2]" 1
441 1 24 LEU H 1 24 LEU HG 4.400 . 4.400 4.026 3.177 4.445 0.045 18 0 "[ . 1 . 2]" 1
442 1 24 LEU H 1 25 GLN HG2 5.480 . 5.480 5.219 4.944 5.436 . 0 0 "[ . 1 . 2]" 1
443 1 24 LEU H 1 25 GLN HG3 4.630 . 4.630 4.271 4.029 4.588 . 0 0 "[ . 1 . 2]" 1
444 1 24 LEU HA 1 24 LEU QD 3.010 . 3.010 2.138 1.674 2.881 . 0 0 "[ . 1 . 2]" 1
445 1 24 LEU HA 1 24 LEU HG 3.840 . 3.840 2.881 1.932 3.594 . 0 0 "[ . 1 . 2]" 1
446 1 24 LEU HA 1 25 GLN HE21 4.680 . 4.680 4.062 3.584 4.621 . 0 0 "[ . 1 . 2]" 1
447 1 24 LEU HA 1 25 GLN HG3 3.910 . 3.910 3.438 3.215 3.728 . 0 0 "[ . 1 . 2]" 1
448 1 24 LEU HB2 1 26 CYS H 4.310 . 4.310 3.741 3.353 4.325 0.015 18 0 "[ . 1 . 2]" 1
449 1 24 LEU HB3 1 25 GLN H 3.900 . 3.900 3.663 3.257 3.906 0.006 17 0 "[ . 1 . 2]" 1
450 1 24 LEU QD 1 26 CYS H 4.950 . 4.950 4.048 2.999 4.492 . 0 0 "[ . 1 . 2]" 1
451 1 24 LEU QD 1 76 SER H 4.700 . 4.700 3.781 3.381 4.216 . 0 0 "[ . 1 . 2]" 1
452 1 24 LEU QD 1 76 SER QB 3.480 . 3.480 1.977 1.677 2.754 . 0 0 "[ . 1 . 2]" 1
453 1 24 LEU QD 1 78 LYS H 4.350 . 4.350 3.516 2.781 4.056 . 0 0 "[ . 1 . 2]" 1
454 1 24 LEU QD 1 78 LYS QB 3.440 . 3.440 2.763 1.849 3.430 . 0 0 "[ . 1 . 2]" 1
455 1 24 LEU QD 1 79 LYS H 3.610 . 3.610 3.201 2.671 3.574 . 0 0 "[ . 1 . 2]" 1
456 1 24 LEU HG 1 26 CYS QB 5.500 . 5.500 4.750 3.254 5.507 0.007 9 0 "[ . 1 . 2]" 1
457 1 24 LEU HG 1 76 SER HB2 4.990 . 4.990 4.150 3.070 5.000 0.010 5 0 "[ . 1 . 2]" 1
458 1 24 LEU HG 1 76 SER QB 4.360 . 4.360 3.561 2.508 4.193 . 0 0 "[ . 1 . 2]" 1
459 1 24 LEU HG 1 76 SER HB3 4.990 . 4.990 3.965 2.660 4.884 . 0 0 "[ . 1 . 2]" 1
460 1 25 GLN H 1 25 GLN HA 2.430 . 2.430 2.367 2.363 2.374 . 0 0 "[ . 1 . 2]" 1
461 1 25 GLN H 1 25 GLN QB 3.410 . 3.410 3.334 3.282 3.380 . 0 0 "[ . 1 . 2]" 1
462 1 25 GLN H 1 25 GLN HG2 3.360 . 3.360 3.068 2.805 3.301 . 0 0 "[ . 1 . 2]" 1
463 1 25 GLN H 1 25 GLN HG3 3.240 . 3.240 2.557 2.286 2.773 . 0 0 "[ . 1 . 2]" 1
464 1 25 GLN H 1 26 CYS H 2.830 . 2.830 2.786 2.684 2.841 0.011 13 0 "[ . 1 . 2]" 1
465 1 25 GLN H 1 78 LYS QD 4.990 . 4.990 4.847 4.608 4.987 . 0 0 "[ . 1 . 2]" 1
466 1 25 GLN HA 1 25 GLN HG2 3.830 . 3.830 2.622 2.441 2.784 . 0 0 "[ . 1 . 2]" 1
467 1 25 GLN HA 1 25 GLN HG3 3.550 . 3.550 3.201 2.982 3.371 . 0 0 "[ . 1 . 2]" 1
468 1 25 GLN HA 1 26 CYS H 3.000 . 3.000 2.965 2.865 3.017 0.017 15 0 "[ . 1 . 2]" 1
469 1 25 GLN HA 1 78 LYS QD 4.490 . 4.490 4.284 3.810 4.494 0.004 6 0 "[ . 1 . 2]" 1
470 1 25 GLN QB 1 25 GLN HE21 4.240 . 4.240 2.885 1.966 3.452 . 0 0 "[ . 1 . 2]" 1
471 1 25 GLN QB 1 78 LYS QD 3.120 . 3.120 2.082 1.709 2.416 . 0 0 "[ . 1 . 2]" 1
472 1 25 GLN HE21 1 25 GLN HG2 3.540 . 3.540 3.504 3.302 3.585 0.045 13 0 "[ . 1 . 2]" 1
473 1 25 GLN HE21 1 78 LYS QB 4.520 . 4.520 3.330 2.495 4.197 . 0 0 "[ . 1 . 2]" 1
474 1 25 GLN HE21 1 78 LYS QD 4.860 . 4.860 3.988 2.792 4.858 . 0 0 "[ . 1 . 2]" 1
475 1 25 GLN HE21 1 78 LYS QG 5.220 . 5.220 4.363 2.956 5.197 . 0 0 "[ . 1 . 2]" 1
476 1 25 GLN HE21 1 79 LYS HE2 4.530 . 4.530 3.826 2.345 4.522 . 0 0 "[ . 1 . 2]" 1
477 1 25 GLN HE21 1 79 LYS QE 3.940 . 3.940 3.207 2.325 3.845 . 0 0 "[ . 1 . 2]" 1
478 1 25 GLN HE21 1 79 LYS HE3 4.530 . 4.530 3.647 2.419 4.517 . 0 0 "[ . 1 . 2]" 1
479 1 25 GLN HE22 1 25 GLN HG3 3.920 . 3.920 3.551 3.511 3.696 . 0 0 "[ . 1 . 2]" 1
480 1 25 GLN HE22 1 79 LYS HE2 5.300 . 5.300 4.350 3.434 5.260 . 0 0 "[ . 1 . 2]" 1
481 1 25 GLN HE22 1 79 LYS QE 4.470 . 4.470 3.818 2.774 4.437 . 0 0 "[ . 1 . 2]" 1
482 1 25 GLN HE22 1 79 LYS HE3 5.300 . 5.300 4.506 2.929 5.298 . 0 0 "[ . 1 . 2]" 1
483 1 26 CYS H 1 26 CYS QB 2.920 . 2.920 2.261 1.930 2.703 . 0 0 "[ . 1 . 2]" 1
484 1 26 CYS H 1 27 ASP H 4.590 . 4.590 4.529 4.345 4.623 0.033 16 0 "[ . 1 . 2]" 1
485 1 26 CYS H 1 78 LYS QD 4.530 . 4.530 4.197 3.764 4.514 . 0 0 "[ . 1 . 2]" 1
486 1 26 CYS HA 1 27 ASP H 2.860 . 2.860 2.633 2.241 2.862 0.002 13 0 "[ . 1 . 2]" 1
487 1 26 CYS QB 1 27 ASP H 3.400 . 3.400 2.406 1.831 3.390 . 0 0 "[ . 1 . 2]" 1
488 1 27 ASP H 1 27 ASP HB2 3.720 . 3.720 2.361 2.030 2.781 . 0 0 "[ . 1 . 2]" 1
489 1 27 ASP H 1 27 ASP HB3 3.490 . 3.490 3.398 3.168 3.496 0.006 2 0 "[ . 1 . 2]" 1
490 1 27 ASP H 1 28 ASP H 4.610 . 4.610 4.504 4.368 4.616 0.006 13 0 "[ . 1 . 2]" 1
491 1 27 ASP H 1 34 GLU HA 5.260 . 5.260 4.318 3.277 4.664 . 0 0 "[ . 1 . 2]" 1
492 1 27 ASP H 1 34 GLU HB2 3.740 . 3.740 2.005 1.849 2.417 . 0 0 "[ . 1 . 2]" 1
493 1 27 ASP H 1 34 GLU HB3 3.740 . 3.740 2.414 1.911 3.723 . 0 0 "[ . 1 . 2]" 1
494 1 27 ASP H 1 34 GLU HG2 4.700 . 4.700 3.245 2.272 4.189 . 0 0 "[ . 1 . 2]" 1
495 1 27 ASP H 1 34 GLU QG 3.820 . 3.820 3.014 2.245 3.476 . 0 0 "[ . 1 . 2]" 1
496 1 27 ASP H 1 34 GLU HG3 4.700 . 4.700 3.956 2.890 4.383 . 0 0 "[ . 1 . 2]" 1
497 1 27 ASP HA 1 28 ASP H 2.720 . 2.720 2.492 2.313 2.712 . 0 0 "[ . 1 . 2]" 1
498 1 27 ASP HA 1 34 GLU H 4.960 . 4.960 4.803 4.603 4.962 0.002 5 0 "[ . 1 . 2]" 1
499 1 27 ASP HB2 1 34 GLU H 4.100 . 4.100 3.877 3.376 4.110 0.010 12 0 "[ . 1 . 2]" 1
500 1 27 ASP HB2 1 34 GLU QG 4.710 . 4.710 4.185 3.139 4.649 . 0 0 "[ . 1 . 2]" 1
501 1 27 ASP HB3 1 28 ASP H 3.820 . 3.820 2.664 2.173 3.253 . 0 0 "[ . 1 . 2]" 1
502 1 27 ASP HB3 1 29 GLY H 4.570 . 4.570 4.299 3.957 4.542 . 0 0 "[ . 1 . 2]" 1
503 1 27 ASP HB3 1 34 GLU H 4.140 . 4.140 3.432 3.047 3.925 . 0 0 "[ . 1 . 2]" 1
504 1 27 ASP HB3 1 34 GLU QB 4.460 . 4.460 3.141 2.182 3.714 . 0 0 "[ . 1 . 2]" 1
505 1 28 ASP H 1 28 ASP QB 3.140 . 3.140 2.921 2.842 3.179 0.039 9 0 "[ . 1 . 2]" 1
506 1 28 ASP H 1 29 GLY H 3.720 . 3.720 3.245 3.015 3.606 . 0 0 "[ . 1 . 2]" 1
507 1 28 ASP H 1 29 GLY HA2 4.840 . 4.840 4.706 4.518 4.849 0.009 13 0 "[ . 1 . 2]" 1
508 1 28 ASP H 1 29 GLY HA3 4.520 . 4.520 4.226 4.111 4.534 0.014 6 0 "[ . 1 . 2]" 1
509 1 28 ASP H 1 33 LYS HA 4.220 . 4.220 3.854 3.273 4.132 . 0 0 "[ . 1 . 2]" 1
510 1 28 ASP H 1 33 LYS QG 5.340 . 5.340 4.752 4.270 5.244 . 0 0 "[ . 1 . 2]" 1
511 1 28 ASP H 1 34 GLU H 4.280 . 4.280 4.195 3.902 4.296 0.016 9 0 "[ . 1 . 2]" 1
512 1 28 ASP H 1 34 GLU HB2 5.500 . 5.500 4.978 4.336 5.401 . 0 0 "[ . 1 . 2]" 1
513 1 28 ASP H 1 34 GLU QB 4.810 . 4.810 4.547 4.079 4.815 0.005 11 0 "[ . 1 . 2]" 1
514 1 28 ASP H 1 34 GLU HB3 5.500 . 5.500 5.285 4.966 5.505 0.005 8 0 "[ . 1 . 2]" 1
515 1 28 ASP HA 1 29 GLY H 2.480 . 2.480 2.366 2.276 2.475 . 0 0 "[ . 1 . 2]" 1
516 1 28 ASP HA 1 29 GLY HA2 5.010 . 5.010 4.432 4.400 4.465 . 0 0 "[ . 1 . 2]" 1
517 1 28 ASP HA 1 29 GLY HA3 4.870 . 4.870 4.656 4.587 4.732 . 0 0 "[ . 1 . 2]" 1
518 1 28 ASP HA 1 32 GLY H 5.500 . 5.500 5.433 5.265 5.511 0.011 10 0 "[ . 1 . 2]" 1
519 1 28 ASP HA 1 33 LYS HA 3.360 . 3.360 2.021 1.857 2.285 . 0 0 "[ . 1 . 2]" 1
520 1 28 ASP HA 1 33 LYS QB 4.260 . 4.260 3.279 2.377 3.975 . 0 0 "[ . 1 . 2]" 1
521 1 28 ASP HA 1 33 LYS QG 4.620 . 4.620 2.745 1.892 3.434 . 0 0 "[ . 1 . 2]" 1
522 1 28 ASP HA 1 34 GLU H 3.260 . 3.260 2.749 2.585 3.071 . 0 0 "[ . 1 . 2]" 1
523 1 28 ASP QB 1 29 GLY H 4.190 . 4.190 3.952 3.773 4.067 . 0 0 "[ . 1 . 2]" 1
524 1 28 ASP QB 1 33 LYS QG 5.110 . 5.110 4.165 2.464 5.046 . 0 0 "[ . 1 . 2]" 1
525 1 29 GLY H 1 29 GLY HA3 2.830 . 2.830 2.671 2.554 2.775 . 0 0 "[ . 1 . 2]" 1
526 1 29 GLY H 1 30 ILE MG 5.500 . 5.500 5.437 5.312 5.505 0.005 2 0 "[ . 1 . 2]" 1
527 1 29 GLY H 1 32 GLY H 4.190 . 4.190 3.218 2.964 3.375 . 0 0 "[ . 1 . 2]" 1
528 1 29 GLY H 1 32 GLY QA 4.590 . 4.590 4.071 3.825 4.351 . 0 0 "[ . 1 . 2]" 1
529 1 29 GLY H 1 33 LYS HA 3.210 . 3.210 2.439 2.197 2.706 . 0 0 "[ . 1 . 2]" 1
530 1 29 GLY H 1 33 LYS QD 4.320 . 4.320 3.920 3.445 4.332 0.012 20 0 "[ . 1 . 2]" 1
531 1 29 GLY H 1 33 LYS HG2 4.010 . 4.010 3.412 2.358 4.014 0.004 14 0 "[ . 1 . 2]" 1
532 1 29 GLY H 1 33 LYS HG3 4.010 . 4.010 2.154 1.868 2.481 . 0 0 "[ . 1 . 2]" 1
533 1 29 GLY HA2 1 30 ILE HB 4.880 . 4.880 4.605 4.474 4.772 . 0 0 "[ . 1 . 2]" 1
534 1 29 GLY HA2 1 33 LYS QD 5.290 . 5.290 5.030 4.473 5.266 . 0 0 "[ . 1 . 2]" 1
535 1 29 GLY HA3 1 30 ILE MG 4.990 . 4.990 3.797 3.684 3.951 . 0 0 "[ . 1 . 2]" 1
536 1 29 GLY HA3 1 31 THR H 4.050 . 4.050 3.126 2.985 3.240 . 0 0 "[ . 1 . 2]" 1
537 1 29 GLY HA3 1 32 GLY H 3.490 . 3.490 3.372 3.198 3.503 0.013 2 0 "[ . 1 . 2]" 1
538 1 30 ILE H 1 30 ILE MD 5.010 . 5.010 4.029 3.789 4.211 . 0 0 "[ . 1 . 2]" 1
539 1 30 ILE H 1 30 ILE QG 4.790 . 4.790 3.948 3.893 3.999 . 0 0 "[ . 1 . 2]" 1
540 1 30 ILE H 1 31 THR H 4.200 . 4.200 2.706 2.501 2.781 . 0 0 "[ . 1 . 2]" 1
541 1 30 ILE HA 1 30 ILE HB 3.010 . 3.010 2.467 2.372 2.536 . 0 0 "[ . 1 . 2]" 1
542 1 30 ILE HA 1 30 ILE HG12 3.790 . 3.790 3.438 2.526 3.758 . 0 0 "[ . 1 . 2]" 1
543 1 30 ILE HA 1 30 ILE HG13 3.790 . 3.790 2.678 2.294 3.670 . 0 0 "[ . 1 . 2]" 1
544 1 30 ILE HA 1 30 ILE MG 3.250 . 3.250 3.188 3.174 3.198 . 0 0 "[ . 1 . 2]" 1
545 1 30 ILE HB 1 30 ILE MD 3.650 . 3.650 2.257 1.905 3.170 . 0 0 "[ . 1 . 2]" 1
546 1 30 ILE HB 1 31 THR H 4.120 . 4.120 4.075 3.980 4.126 0.006 10 0 "[ . 1 . 2]" 1
547 1 30 ILE QG 1 31 THR H 4.090 . 4.090 3.920 3.600 4.094 0.004 15 0 "[ . 1 . 2]" 1
548 1 30 ILE MG 1 31 THR H 3.880 . 3.880 2.100 1.860 2.402 . 0 0 "[ . 1 . 2]" 1
549 1 30 ILE MG 1 32 GLY H 4.640 . 4.640 4.101 3.975 4.302 . 0 0 "[ . 1 . 2]" 1
550 1 31 THR H 1 31 THR MG 3.260 . 3.260 2.012 1.827 3.041 . 0 0 "[ . 1 . 2]" 1
551 1 31 THR H 1 32 GLY H 2.980 . 2.980 2.331 2.221 2.435 . 0 0 "[ . 1 . 2]" 1
552 1 31 THR HA 1 31 THR MG 3.330 . 3.330 3.019 2.546 3.197 . 0 0 "[ . 1 . 2]" 1
553 1 31 THR MG 1 32 GLY H 3.990 . 3.990 2.630 1.892 3.576 . 0 0 "[ . 1 . 2]" 1
554 1 31 THR MG 1 32 GLY QA 4.760 . 4.760 3.517 2.947 4.799 0.039 19 0 "[ . 1 . 2]" 1
555 1 32 GLY H 1 32 GLY QA 2.580 . 2.580 2.530 2.518 2.538 . 0 0 "[ . 1 . 2]" 1
556 1 32 GLY H 1 33 LYS H 4.120 . 4.120 4.004 3.785 4.131 0.011 18 0 "[ . 1 . 2]" 1
557 1 32 GLY H 1 33 LYS HA 4.580 . 4.580 4.529 4.441 4.587 0.007 19 0 "[ . 1 . 2]" 1
558 1 32 GLY H 1 33 LYS QG 4.550 . 4.550 3.493 3.098 3.973 . 0 0 "[ . 1 . 2]" 1
559 1 32 GLY QA 1 33 LYS H 2.600 . 2.600 2.168 2.154 2.200 . 0 0 "[ . 1 . 2]" 1
560 1 32 GLY QA 1 33 LYS QB 5.100 . 5.100 4.063 3.930 4.202 . 0 0 "[ . 1 . 2]" 1
561 1 32 GLY QA 1 33 LYS QD 4.210 . 4.210 3.854 2.625 4.211 0.001 1 0 "[ . 1 . 2]" 1
562 1 32 GLY HA2 1 33 LYS H 3.320 . 3.320 2.204 2.182 2.249 . 0 0 "[ . 1 . 2]" 1
563 1 32 GLY HA3 1 33 LYS H 3.320 . 3.320 3.223 3.109 3.340 0.020 13 0 "[ . 1 . 2]" 1
564 1 33 LYS H 1 33 LYS QB 3.010 . 3.010 2.390 2.210 2.597 . 0 0 "[ . 1 . 2]" 1
565 1 33 LYS H 1 33 LYS QD 4.590 . 4.590 3.181 2.050 3.793 . 0 0 "[ . 1 . 2]" 1
566 1 33 LYS H 1 33 LYS QG 3.420 . 3.420 3.170 2.708 3.420 0.000 15 0 "[ . 1 . 2]" 1
567 1 33 LYS HA 1 33 LYS QG 3.640 . 3.640 2.249 2.092 2.477 . 0 0 "[ . 1 . 2]" 1
568 1 33 LYS HA 1 34 GLU H 2.800 . 2.800 2.270 2.203 2.418 . 0 0 "[ . 1 . 2]" 1
569 1 33 LYS HA 1 34 GLU QB 4.500 . 4.500 4.052 3.971 4.159 . 0 0 "[ . 1 . 2]" 1
570 1 33 LYS QB 1 34 GLU H 3.450 . 3.450 3.119 2.629 3.455 0.005 4 0 "[ . 1 . 2]" 1
571 1 33 LYS QE 1 33 LYS QG 3.370 . 3.370 2.179 1.939 2.866 . 0 0 "[ . 1 . 2]" 1
572 1 33 LYS QG 1 34 GLU H 5.150 . 5.150 4.022 3.662 4.345 . 0 0 "[ . 1 . 2]" 1
573 1 34 GLU H 1 34 GLU HB2 3.170 . 3.170 2.625 2.357 3.018 . 0 0 "[ . 1 . 2]" 1
574 1 34 GLU H 1 34 GLU QB 2.770 . 2.770 2.187 2.075 2.294 . 0 0 "[ . 1 . 2]" 1
575 1 34 GLU H 1 34 GLU HB3 3.170 . 3.170 2.369 2.137 2.567 . 0 0 "[ . 1 . 2]" 1
576 1 34 GLU H 1 34 GLU HG2 4.710 . 4.710 4.494 4.274 4.637 . 0 0 "[ . 1 . 2]" 1
577 1 34 GLU H 1 34 GLU HG3 4.710 . 4.710 4.384 4.130 4.622 . 0 0 "[ . 1 . 2]" 1
578 1 34 GLU H 1 35 ARG H 4.650 . 4.650 4.621 4.552 4.654 0.004 7 0 "[ . 1 . 2]" 1
579 1 34 GLU HA 1 34 GLU HG2 4.250 . 4.250 3.524 2.472 3.813 . 0 0 "[ . 1 . 2]" 1
580 1 34 GLU HA 1 34 GLU QG 3.440 . 3.440 2.603 2.219 3.094 . 0 0 "[ . 1 . 2]" 1
581 1 34 GLU HA 1 34 GLU HG3 4.250 . 4.250 2.791 2.257 3.560 . 0 0 "[ . 1 . 2]" 1
582 1 34 GLU HA 1 35 ARG H 2.680 . 2.680 2.260 2.222 2.279 . 0 0 "[ . 1 . 2]" 1
583 1 34 GLU HB2 1 35 ARG H 4.340 . 4.340 4.169 4.022 4.290 . 0 0 "[ . 1 . 2]" 1
584 1 34 GLU HB3 1 35 ARG H 4.340 . 4.340 4.087 3.926 4.345 0.005 13 0 "[ . 1 . 2]" 1
585 1 34 GLU QG 1 35 ARG H 3.320 . 3.320 2.368 2.108 2.921 . 0 0 "[ . 1 . 2]" 1
586 1 34 GLU QG 1 36 LEU H 4.770 . 4.770 4.237 3.879 4.771 0.001 12 0 "[ . 1 . 2]" 1
587 1 34 GLU QG 1 36 LEU QD 3.540 . 3.540 2.454 1.782 3.302 . 0 0 "[ . 1 . 2]" 1
588 1 35 ARG H 1 35 ARG QB 2.880 . 2.880 2.375 2.249 2.491 . 0 0 "[ . 1 . 2]" 1
589 1 35 ARG H 1 35 ARG QD 4.710 . 4.710 4.273 3.718 4.631 . 0 0 "[ . 1 . 2]" 1
590 1 35 ARG H 1 35 ARG QG 4.270 . 4.270 4.058 3.938 4.143 . 0 0 "[ . 1 . 2]" 1
591 1 35 ARG H 1 36 LEU H 4.540 . 4.540 4.315 4.178 4.441 . 0 0 "[ . 1 . 2]" 1
592 1 35 ARG H 1 36 LEU HA 5.240 . 5.240 4.871 4.676 5.193 . 0 0 "[ . 1 . 2]" 1
593 1 35 ARG H 1 36 LEU MD1 5.370 . 5.370 5.383 5.369 5.398 0.028 16 0 "[ . 1 . 2]" 1
594 1 35 ARG H 1 36 LEU QD 4.460 . 4.460 4.102 3.326 4.469 0.009 6 0 "[ . 1 . 2]" 1
595 1 35 ARG H 1 36 LEU MD2 5.370 . 5.370 4.288 3.357 4.772 . 0 0 "[ . 1 . 2]" 1
596 1 35 ARG H 1 36 LEU HG 5.500 . 5.500 4.220 4.124 4.304 . 0 0 "[ . 1 . 2]" 1
597 1 35 ARG HA 1 35 ARG QD 4.020 . 4.020 3.045 1.930 3.909 . 0 0 "[ . 1 . 2]" 1
598 1 35 ARG HA 1 35 ARG HG2 3.950 . 3.950 2.563 1.976 3.763 . 0 0 "[ . 1 . 2]" 1
599 1 35 ARG HA 1 35 ARG QG 3.400 . 3.400 2.388 1.962 3.058 . 0 0 "[ . 1 . 2]" 1
600 1 35 ARG HA 1 35 ARG HG3 3.950 . 3.950 3.328 3.036 3.559 . 0 0 "[ . 1 . 2]" 1
601 1 35 ARG HA 1 36 LEU H 2.600 . 2.600 2.208 2.186 2.237 . 0 0 "[ . 1 . 2]" 1
602 1 35 ARG HA 1 36 LEU MD1 5.270 . 5.270 4.593 4.260 5.021 . 0 0 "[ . 1 . 2]" 1
603 1 35 ARG HA 1 36 LEU QD 4.540 . 4.540 4.089 3.848 4.269 . 0 0 "[ . 1 . 2]" 1
604 1 35 ARG HA 1 36 LEU MD2 5.270 . 5.270 4.683 4.043 5.045 . 0 0 "[ . 1 . 2]" 1
605 1 35 ARG HA 1 36 LEU HG 4.550 . 4.550 3.576 3.404 3.747 . 0 0 "[ . 1 . 2]" 1
606 1 35 ARG QB 1 36 LEU H 4.550 . 4.550 3.855 3.724 3.945 . 0 0 "[ . 1 . 2]" 1
607 1 35 ARG QD 1 36 LEU H 4.500 . 4.500 3.198 2.003 4.494 . 0 0 "[ . 1 . 2]" 1
608 1 35 ARG QD 1 36 LEU HA 4.550 . 4.550 4.065 3.549 4.560 0.010 1 0 "[ . 1 . 2]" 1
609 1 35 ARG QG 1 36 LEU H 3.710 . 3.710 3.216 2.588 3.712 0.002 9 0 "[ . 1 . 2]" 1
610 1 36 LEU H 1 36 LEU HB2 3.470 . 3.470 2.462 2.382 2.580 . 0 0 "[ . 1 . 2]" 1
611 1 36 LEU H 1 36 LEU MD1 4.030 . 4.030 3.413 3.116 3.748 . 0 0 "[ . 1 . 2]" 1
612 1 36 LEU H 1 36 LEU MD2 4.030 . 4.030 3.704 3.228 4.010 . 0 0 "[ . 1 . 2]" 1
613 1 36 LEU H 1 36 LEU HG 2.960 . 2.960 2.400 2.021 2.688 . 0 0 "[ . 1 . 2]" 1
614 1 36 LEU H 1 37 LYS H 4.720 . 4.720 4.554 4.540 4.580 . 0 0 "[ . 1 . 2]" 1
615 1 36 LEU HA 1 36 LEU MD1 4.130 . 4.130 3.851 3.787 3.883 . 0 0 "[ . 1 . 2]" 1
616 1 36 LEU HA 1 36 LEU QD 2.930 . 2.930 2.228 1.894 2.470 . 0 0 "[ . 1 . 2]" 1
617 1 36 LEU HA 1 36 LEU MD2 4.130 . 4.130 2.244 1.899 2.501 . 0 0 "[ . 1 . 2]" 1
618 1 36 LEU HA 1 36 LEU HG 4.250 . 4.250 2.872 2.657 3.202 . 0 0 "[ . 1 . 2]" 1
619 1 36 LEU HA 1 37 LYS H 2.630 . 2.630 2.271 2.241 2.303 . 0 0 "[ . 1 . 2]" 1
620 1 36 LEU HA 1 75 GLU H 5.500 . 5.500 5.260 4.895 5.507 0.007 1 0 "[ . 1 . 2]" 1
621 1 36 LEU HA 1 77 LYS H 5.390 . 5.390 4.826 4.381 5.320 . 0 0 "[ . 1 . 2]" 1
622 1 36 LEU HB2 1 36 LEU MD1 3.350 . 3.350 2.216 2.015 2.468 . 0 0 "[ . 1 . 2]" 1
623 1 36 LEU HB2 1 36 LEU MD2 3.350 . 3.350 3.157 3.113 3.197 . 0 0 "[ . 1 . 2]" 1
624 1 36 LEU HB2 1 37 LYS H 4.050 . 4.050 3.975 3.887 4.049 . 0 0 "[ . 1 . 2]" 1
625 1 36 LEU HB3 1 37 LYS H 3.160 . 3.160 3.055 3.009 3.138 . 0 0 "[ . 1 . 2]" 1
626 1 36 LEU QD 1 37 LYS H 3.620 . 3.620 3.517 3.372 3.627 0.007 8 0 "[ . 1 . 2]" 1
627 1 36 LEU QD 1 76 SER H 5.030 . 5.030 3.963 3.779 4.179 . 0 0 "[ . 1 . 2]" 1
628 1 36 LEU QD 1 76 SER HA 3.270 . 3.270 2.077 1.809 2.610 . 0 0 "[ . 1 . 2]" 1
629 1 36 LEU QD 1 77 LYS H 3.820 . 3.820 2.950 2.502 3.478 . 0 0 "[ . 1 . 2]" 1
630 1 36 LEU MD1 1 37 LYS H 4.990 . 4.990 5.009 4.905 5.039 0.049 20 0 "[ . 1 . 2]" 1
631 1 36 LEU MD2 1 37 LYS H 4.990 . 4.990 3.594 3.430 3.724 . 0 0 "[ . 1 . 2]" 1
632 1 37 LYS H 1 37 LYS QB 3.380 . 3.380 2.495 2.185 3.011 . 0 0 "[ . 1 . 2]" 1
633 1 37 LYS H 1 38 ALA H 4.440 . 4.440 4.441 4.321 4.482 0.042 8 0 "[ . 1 . 2]" 1
634 1 37 LYS H 1 74 VAL HA 5.250 . 5.250 4.965 4.576 5.194 . 0 0 "[ . 1 . 2]" 1
635 1 37 LYS H 1 74 VAL QG 3.600 . 3.600 3.459 3.215 3.604 0.004 15 0 "[ . 1 . 2]" 1
636 1 37 LYS H 1 75 GLU H 3.770 . 3.770 3.435 3.180 3.661 . 0 0 "[ . 1 . 2]" 1
637 1 37 LYS H 1 76 SER H 5.500 . 5.500 5.433 5.325 5.515 0.015 12 0 "[ . 1 . 2]" 1
638 1 37 LYS H 1 76 SER HA 4.170 . 4.170 3.883 3.608 4.135 . 0 0 "[ . 1 . 2]" 1
639 1 37 LYS HA 1 38 ALA H 2.650 . 2.650 2.227 2.180 2.319 . 0 0 "[ . 1 . 2]" 1
640 1 37 LYS HA 1 38 ALA MB 4.040 . 4.040 3.861 3.722 3.941 . 0 0 "[ . 1 . 2]" 1
641 1 37 LYS HA 1 75 GLU H 5.270 . 5.270 4.896 4.741 5.103 . 0 0 "[ . 1 . 2]" 1
642 1 37 LYS QB 1 38 ALA H 3.450 . 3.450 3.243 3.007 3.464 0.014 8 0 "[ . 1 . 2]" 1
643 1 37 LYS QB 1 39 TYR QD 4.550 . 4.550 3.927 3.390 4.557 0.007 13 0 "[ . 1 . 2]" 1
644 1 37 LYS QB 1 39 TYR QE 4.700 . 4.700 4.164 3.085 4.702 0.002 19 0 "[ . 1 . 2]" 1
645 1 38 ALA H 1 38 ALA MB 2.660 . 2.660 2.421 2.247 2.553 . 0 0 "[ . 1 . 2]" 1
646 1 38 ALA H 1 39 TYR H 4.730 . 4.730 4.477 4.338 4.532 . 0 0 "[ . 1 . 2]" 1
647 1 38 ALA H 1 74 VAL HA 4.920 . 4.920 4.433 4.308 4.613 . 0 0 "[ . 1 . 2]" 1
648 1 38 ALA H 1 75 GLU H 4.870 . 4.870 4.732 4.593 4.875 0.005 2 0 "[ . 1 . 2]" 1
649 1 38 ALA HA 1 39 TYR H 2.740 . 2.740 2.379 2.254 2.450 . 0 0 "[ . 1 . 2]" 1
650 1 38 ALA HA 1 39 TYR QD 4.600 . 4.600 3.186 2.501 3.983 . 0 0 "[ . 1 . 2]" 1
651 1 38 ALA HA 1 73 HIS QB 5.040 . 5.040 4.572 4.294 5.028 . 0 0 "[ . 1 . 2]" 1
652 1 38 ALA HA 1 74 VAL HA 3.420 . 3.420 1.975 1.854 2.208 . 0 0 "[ . 1 . 2]" 1
653 1 38 ALA HA 1 74 VAL MG1 4.730 . 4.730 3.333 2.815 3.745 . 0 0 "[ . 1 . 2]" 1
654 1 38 ALA HA 1 74 VAL QG 3.970 . 3.970 2.935 2.706 3.150 . 0 0 "[ . 1 . 2]" 1
655 1 38 ALA HA 1 74 VAL MG2 4.730 . 4.730 3.300 3.065 3.511 . 0 0 "[ . 1 . 2]" 1
656 1 38 ALA HA 1 75 GLU H 3.700 . 3.700 2.996 2.663 3.324 . 0 0 "[ . 1 . 2]" 1
657 1 38 ALA MB 1 39 TYR H 3.240 . 3.240 2.717 2.545 3.118 . 0 0 "[ . 1 . 2]" 1
658 1 38 ALA MB 1 72 PHE QB 4.360 . 4.360 3.262 2.701 3.621 . 0 0 "[ . 1 . 2]" 1
659 1 38 ALA MB 1 73 HIS H 4.660 . 4.660 4.389 3.918 4.661 0.001 14 0 "[ . 1 . 2]" 1
660 1 38 ALA MB 1 74 VAL HA 3.840 . 3.840 2.310 1.862 2.603 . 0 0 "[ . 1 . 2]" 1
661 1 38 ALA MB 1 74 VAL MG1 3.660 . 3.660 2.200 1.843 2.955 . 0 0 "[ . 1 . 2]" 1
662 1 38 ALA MB 1 74 VAL QG 3.190 . 3.190 1.711 1.598 1.872 . 0 0 "[ . 1 . 2]" 1
663 1 38 ALA MB 1 74 VAL MG2 3.660 . 3.660 1.815 1.664 2.086 . 0 0 "[ . 1 . 2]" 1
664 1 38 ALA MB 1 75 GLU H 4.000 . 4.000 3.766 3.476 4.003 0.003 13 0 "[ . 1 . 2]" 1
665 1 39 TYR H 1 39 TYR QB 3.640 . 3.640 3.181 2.716 3.316 . 0 0 "[ . 1 . 2]" 1
666 1 39 TYR H 1 39 TYR QD 3.990 . 3.990 2.883 2.317 3.173 . 0 0 "[ . 1 . 2]" 1
667 1 39 TYR H 1 39 TYR QE 5.260 . 5.260 4.033 3.644 4.593 . 0 0 "[ . 1 . 2]" 1
668 1 39 TYR H 1 40 GLY H 4.590 . 4.590 4.416 4.269 4.489 . 0 0 "[ . 1 . 2]" 1
669 1 39 TYR H 1 73 HIS H 3.740 . 3.740 3.234 2.729 3.658 . 0 0 "[ . 1 . 2]" 1
670 1 39 TYR H 1 74 VAL HA 4.120 . 4.120 3.637 3.202 3.984 . 0 0 "[ . 1 . 2]" 1
671 1 39 TYR H 1 74 VAL QG 3.980 . 3.980 3.807 3.558 3.980 0.000 4 0 "[ . 1 . 2]" 1
672 1 39 TYR HA 1 39 TYR QD 4.240 . 4.240 3.570 2.671 3.697 . 0 0 "[ . 1 . 2]" 1
673 1 39 TYR HA 1 40 GLY H 3.490 . 3.490 2.407 2.215 2.531 . 0 0 "[ . 1 . 2]" 1
674 1 39 TYR HA 1 40 GLY QA 4.640 . 4.640 3.990 3.957 4.026 . 0 0 "[ . 1 . 2]" 1
675 1 39 TYR HA 1 54 ILE MD 5.150 . 5.150 4.054 3.452 4.703 . 0 0 "[ . 1 . 2]" 1
676 1 39 TYR QB 1 40 GLY H 3.170 . 3.170 2.649 2.401 3.030 . 0 0 "[ . 1 . 2]" 1
677 1 39 TYR HB2 1 40 GLY H 3.990 . 3.990 2.792 2.437 3.772 . 0 0 "[ . 1 . 2]" 1
678 1 39 TYR HB3 1 40 GLY H 3.990 . 3.990 3.685 2.846 4.002 0.012 16 0 "[ . 1 . 2]" 1
679 1 39 TYR QD 1 40 GLY H 4.220 . 4.220 3.903 3.383 4.234 0.014 13 0 "[ . 1 . 2]" 1
680 1 39 TYR QD 1 73 HIS H 5.120 . 5.120 3.978 2.829 4.845 . 0 0 "[ . 1 . 2]" 1
681 1 39 TYR QE 1 73 HIS QB 4.890 . 4.890 3.053 1.830 4.900 0.010 13 0 "[ . 1 . 2]" 1
682 1 39 TYR QE 1 80 ILE MG 5.300 . 5.300 4.620 3.516 5.223 . 0 0 "[ . 1 . 2]" 1
683 1 40 GLY H 1 41 GLU H 4.470 . 4.470 4.162 2.338 4.502 0.032 9 0 "[ . 1 . 2]" 1
684 1 40 GLY H 1 54 ILE MD 4.120 . 4.120 2.250 1.819 2.910 . 0 0 "[ . 1 . 2]" 1
685 1 40 GLY H 1 54 ILE HG12 4.610 . 4.610 4.423 4.073 4.621 0.011 1 0 "[ . 1 . 2]" 1
686 1 40 GLY H 1 54 ILE QG 4.050 . 4.050 3.780 3.261 4.083 0.033 7 0 "[ . 1 . 2]" 1
687 1 40 GLY H 1 54 ILE HG13 4.610 . 4.610 4.120 3.385 4.574 . 0 0 "[ . 1 . 2]" 1
688 1 40 GLY H 1 72 PHE QB 4.970 . 4.970 3.676 3.122 4.524 . 0 0 "[ . 1 . 2]" 1
689 1 40 GLY QA 1 41 GLU H 2.900 . 2.900 2.254 2.152 2.919 0.019 16 0 "[ . 1 . 2]" 1
690 1 40 GLY QA 1 41 GLU QB 4.800 . 4.800 4.054 3.789 4.696 . 0 0 "[ . 1 . 2]" 1
691 1 40 GLY QA 1 41 GLU QG 4.690 . 4.690 3.543 2.791 4.676 . 0 0 "[ . 1 . 2]" 1
692 1 40 GLY QA 1 54 ILE MD 4.070 . 4.070 1.850 1.643 2.239 . 0 0 "[ . 1 . 2]" 1
693 1 40 GLY QA 1 54 ILE QG 4.230 . 4.230 3.620 3.289 3.908 . 0 0 "[ . 1 . 2]" 1
694 1 40 GLY QA 1 54 ILE MG 4.380 . 4.380 3.416 3.044 3.870 . 0 0 "[ . 1 . 2]" 1
695 1 40 GLY QA 1 72 PHE QB 4.060 . 4.060 2.220 1.892 3.034 . 0 0 "[ . 1 . 2]" 1
696 1 40 GLY QA 1 73 HIS H 4.910 . 4.910 3.623 3.157 4.258 . 0 0 "[ . 1 . 2]" 1
697 1 40 GLY HA2 1 41 GLU H 3.330 . 3.330 2.971 2.297 3.331 0.001 1 0 "[ . 1 . 2]" 1
698 1 40 GLY HA2 1 72 PHE QB 4.720 . 4.720 2.278 1.902 3.077 . 0 0 "[ . 1 . 2]" 1
699 1 40 GLY HA3 1 41 GLU H 3.330 . 3.330 2.398 2.182 3.321 . 0 0 "[ . 1 . 2]" 1
700 1 40 GLY HA3 1 72 PHE QB 4.720 . 4.720 3.433 2.564 4.615 . 0 0 "[ . 1 . 2]" 1
701 1 41 GLU H 1 41 GLU QB 2.990 . 2.990 2.481 1.953 3.003 0.013 10 0 "[ . 1 . 2]" 1
702 1 41 GLU H 1 41 GLU QG 3.400 . 3.400 2.298 1.853 3.358 . 0 0 "[ . 1 . 2]" 1
703 1 41 GLU H 1 42 LEU H 4.760 . 4.760 4.223 2.387 4.695 . 0 0 "[ . 1 . 2]" 1
704 1 41 GLU H 1 42 LEU QB 5.150 . 5.150 4.527 3.624 5.181 0.031 2 0 "[ . 1 . 2]" 1
705 1 41 GLU H 1 54 ILE MD 5.290 . 5.290 3.213 2.333 3.856 . 0 0 "[ . 1 . 2]" 1
706 1 41 GLU H 1 54 ILE MG 4.820 . 4.820 4.670 4.266 4.847 0.027 16 0 "[ . 1 . 2]" 1
707 1 41 GLU H 1 72 PHE QB 5.500 . 5.500 4.765 4.149 5.451 . 0 0 "[ . 1 . 2]" 1
708 1 41 GLU HA 1 41 GLU QG 3.300 . 3.300 2.864 2.156 3.303 0.003 11 0 "[ . 1 . 2]" 1
709 1 41 GLU HA 1 42 LEU H 3.200 . 3.200 2.703 2.217 3.213 0.013 18 0 "[ . 1 . 2]" 1
710 1 41 GLU QB 1 42 LEU H 3.480 . 3.480 2.513 1.850 3.508 0.028 16 0 "[ . 1 . 2]" 1
711 1 41 GLU QG 1 42 LEU H 4.140 . 4.140 3.494 1.875 4.149 0.009 16 0 "[ . 1 . 2]" 1
712 1 42 LEU H 1 42 LEU QB 3.180 . 3.180 2.728 1.963 3.207 0.027 12 0 "[ . 1 . 2]" 1
713 1 42 LEU H 1 42 LEU MD1 5.500 . 5.500 3.869 2.294 4.786 . 0 0 "[ . 1 . 2]" 1
714 1 42 LEU H 1 42 LEU MD2 5.500 . 5.500 4.485 3.067 4.936 . 0 0 "[ . 1 . 2]" 1
715 1 42 LEU H 1 42 LEU HG 5.280 . 5.280 4.020 2.310 4.766 . 0 0 "[ . 1 . 2]" 1
716 1 42 LEU H 1 43 ILE H 4.750 . 4.750 3.997 2.924 4.661 . 0 0 "[ . 1 . 2]" 1
717 1 42 LEU HA 1 42 LEU QD 3.870 . 3.870 2.617 1.897 3.399 . 0 0 "[ . 1 . 2]" 1
718 1 42 LEU HA 1 42 LEU HG 3.370 . 3.370 2.282 1.934 3.435 0.065 12 0 "[ . 1 . 2]" 1
719 1 42 LEU HA 1 43 ILE H 2.740 . 2.740 2.361 2.210 2.737 . 0 0 "[ . 1 . 2]" 1
720 1 42 LEU HA 1 43 ILE QG 4.910 . 4.910 3.793 3.263 4.540 . 0 0 "[ . 1 . 2]" 1
721 1 42 LEU QB 1 42 LEU MD1 2.970 . 2.970 2.018 1.868 2.235 . 0 0 "[ . 1 . 2]" 1
722 1 42 LEU QB 1 42 LEU MD2 2.970 . 2.970 2.020 1.860 2.261 . 0 0 "[ . 1 . 2]" 1
723 1 42 LEU QB 1 43 ILE H 3.990 . 3.990 3.540 2.295 3.946 . 0 0 "[ . 1 . 2]" 1
724 1 42 LEU QD 1 43 ILE H 5.170 . 5.170 3.453 1.823 4.555 . 0 0 "[ . 1 . 2]" 1
725 1 42 LEU HG 1 43 ILE H 4.750 . 4.750 3.476 1.953 4.718 . 0 0 "[ . 1 . 2]" 1
726 1 43 ILE H 1 43 ILE MD 5.030 . 5.030 3.704 3.476 3.874 . 0 0 "[ . 1 . 2]" 1
727 1 43 ILE H 1 43 ILE QG 3.260 . 3.260 2.001 1.829 2.271 . 0 0 "[ . 1 . 2]" 1
728 1 43 ILE H 1 43 ILE MG 3.790 . 3.790 2.607 1.885 3.290 . 0 0 "[ . 1 . 2]" 1
729 1 43 ILE HA 1 43 ILE MD 4.280 . 4.280 3.940 3.732 4.133 . 0 0 "[ . 1 . 2]" 1
730 1 43 ILE HA 1 43 ILE HG12 4.120 . 4.120 3.989 3.716 4.131 0.011 3 0 "[ . 1 . 2]" 1
731 1 43 ILE HA 1 43 ILE QG 3.470 . 3.470 3.303 3.281 3.324 . 0 0 "[ . 1 . 2]" 1
732 1 43 ILE HA 1 43 ILE HG13 4.120 . 4.120 3.534 3.487 3.692 . 0 0 "[ . 1 . 2]" 1
733 1 43 ILE HA 1 43 ILE MG 3.190 . 3.190 2.290 2.105 2.446 . 0 0 "[ . 1 . 2]" 1
734 1 43 ILE HA 1 44 THR H 2.710 . 2.710 2.603 2.228 2.733 0.023 7 0 "[ . 1 . 2]" 1
735 1 43 ILE HB 1 43 ILE MD 3.350 . 3.350 2.089 1.887 2.294 . 0 0 "[ . 1 . 2]" 1
736 1 43 ILE HB 1 44 THR H 4.460 . 4.460 2.295 1.924 3.262 . 0 0 "[ . 1 . 2]" 1
737 1 43 ILE HB 1 45 ASN H 4.780 . 4.780 3.763 2.758 4.722 . 0 0 "[ . 1 . 2]" 1
738 1 43 ILE MD 1 44 THR HA 5.500 . 5.500 4.028 2.931 5.502 0.002 5 0 "[ . 1 . 2]" 1
739 1 43 ILE MD 1 44 THR HB 4.960 . 4.960 4.573 2.991 4.962 0.002 18 0 "[ . 1 . 2]" 1
740 1 43 ILE MD 1 45 ASN H 5.290 . 5.290 3.316 1.858 5.244 . 0 0 "[ . 1 . 2]" 1
741 1 43 ILE QG 1 43 ILE MG 3.060 . 3.060 2.035 1.893 2.263 . 0 0 "[ . 1 . 2]" 1
742 1 43 ILE QG 1 44 THR HA 4.860 . 4.860 4.320 3.710 4.789 . 0 0 "[ . 1 . 2]" 1
743 1 43 ILE HG12 1 43 ILE MG 3.590 . 3.590 2.073 1.919 2.316 . 0 0 "[ . 1 . 2]" 1
744 1 43 ILE HG13 1 43 ILE MG 3.590 . 3.590 2.986 2.803 3.189 . 0 0 "[ . 1 . 2]" 1
745 1 43 ILE MG 1 44 THR H 3.780 . 3.780 3.686 3.463 3.797 0.017 19 0 "[ . 1 . 2]" 1
746 1 44 THR H 1 44 THR HB 3.880 . 3.880 2.930 2.182 3.692 . 0 0 "[ . 1 . 2]" 1
747 1 44 THR H 1 44 THR HG1 5.250 . 5.250 3.927 2.165 5.019 . 0 0 "[ . 1 . 2]" 1
748 1 44 THR H 1 44 THR MG 3.980 . 3.980 2.961 1.887 3.964 . 0 0 "[ . 1 . 2]" 1
749 1 44 THR H 1 45 ASN H 3.660 . 3.660 2.486 1.846 3.672 0.012 13 0 "[ . 1 . 2]" 1
750 1 44 THR H 1 45 ASN QB 5.500 . 5.500 4.039 3.112 5.081 . 0 0 "[ . 1 . 2]" 1
751 1 44 THR HA 1 44 THR MG 3.390 . 3.390 2.766 2.118 3.197 . 0 0 "[ . 1 . 2]" 1
752 1 44 THR HB 1 45 ASN H 4.560 . 4.560 3.501 1.880 4.584 0.024 13 0 "[ . 1 . 2]" 1
753 1 44 THR MG 1 45 ASN H 4.620 . 4.620 3.068 1.814 4.220 . 0 0 "[ . 1 . 2]" 1
754 1 44 THR MG 1 45 ASN QB 4.440 . 4.440 3.633 2.184 4.402 . 0 0 "[ . 1 . 2]" 1
755 1 45 ASN H 1 46 ASP H 4.280 . 4.280 3.943 2.191 4.337 0.057 9 0 "[ . 1 . 2]" 1
756 1 45 ASN HA 1 46 ASP H 3.180 . 3.180 2.564 2.203 3.175 . 0 0 "[ . 1 . 2]" 1
757 1 45 ASN QB 1 46 ASP H 4.060 . 4.060 3.168 1.835 3.966 . 0 0 "[ . 1 . 2]" 1
758 1 46 ASP H 1 46 ASP QB 2.970 . 2.970 2.520 1.983 2.953 . 0 0 "[ . 1 . 2]" 1
759 1 46 ASP HA 1 47 LYS H 2.970 . 2.970 2.695 2.217 3.032 0.062 9 0 "[ . 1 . 2]" 1
760 1 46 ASP QB 1 47 LYS H 3.540 . 3.540 2.691 1.839 3.600 0.060 3 0 "[ . 1 . 2]" 1
761 1 46 ASP QB 1 47 LYS QD 4.570 . 4.570 3.798 2.091 4.573 0.003 20 0 "[ . 1 . 2]" 1
762 1 47 LYS H 1 47 LYS QB 3.600 . 3.600 2.822 2.092 3.313 . 0 0 "[ . 1 . 2]" 1
763 1 47 LYS H 1 47 LYS QD 3.960 . 3.960 3.073 1.931 3.916 . 0 0 "[ . 1 . 2]" 1
764 1 47 LYS H 1 47 LYS QG 3.530 . 3.530 2.716 2.068 3.548 0.018 7 0 "[ . 1 . 2]" 1
765 1 47 LYS HA 1 47 LYS QD 4.390 . 4.390 3.190 1.846 4.232 . 0 0 "[ . 1 . 2]" 1
766 1 47 LYS HA 1 47 LYS QG 3.440 . 3.440 2.508 1.892 3.345 . 0 0 "[ . 1 . 2]" 1
767 1 47 LYS HA 1 48 TRP H 2.980 . 2.980 2.753 2.364 2.993 0.013 11 0 "[ . 1 . 2]" 1
768 1 47 LYS HA 1 48 TRP QB 5.330 . 5.330 4.674 4.297 5.125 . 0 0 "[ . 1 . 2]" 1
769 1 47 LYS QB 1 48 TRP H 3.200 . 3.200 2.082 1.815 2.726 . 0 0 "[ . 1 . 2]" 1
770 1 47 LYS QB 1 48 TRP QB 5.160 . 5.160 3.996 3.331 4.721 . 0 0 "[ . 1 . 2]" 1
771 1 47 LYS QB 1 48 TRP HE1 5.000 . 5.000 4.588 3.061 5.006 0.006 11 0 "[ . 1 . 2]" 1
772 1 47 LYS QE 1 47 LYS QG 3.350 . 3.350 2.108 1.931 2.396 . 0 0 "[ . 1 . 2]" 1
773 1 47 LYS QG 1 48 TRP H 4.030 . 4.030 3.508 2.119 4.056 0.026 20 0 "[ . 1 . 2]" 1
774 1 48 TRP H 1 48 TRP HB2 4.160 . 4.160 3.290 2.506 3.838 . 0 0 "[ . 1 . 2]" 1
775 1 48 TRP H 1 48 TRP QB 3.420 . 3.420 2.921 2.368 3.415 . 0 0 "[ . 1 . 2]" 1
776 1 48 TRP H 1 48 TRP HB3 4.160 . 4.160 3.525 2.407 4.034 . 0 0 "[ . 1 . 2]" 1
777 1 48 TRP H 1 48 TRP HD1 4.110 . 4.110 3.361 2.223 4.122 0.012 6 0 "[ . 1 . 2]" 1
778 1 48 TRP H 1 48 TRP HE1 5.140 . 5.140 4.487 3.941 4.988 . 0 0 "[ . 1 . 2]" 1
779 1 48 TRP H 1 48 TRP HE3 4.820 . 4.820 4.099 2.744 4.808 . 0 0 "[ . 1 . 2]" 1
780 1 48 TRP H 1 49 THR H 3.190 . 3.190 2.626 1.874 3.192 0.002 11 0 "[ . 1 . 2]" 1
781 1 48 TRP QB 1 49 THR MG 5.030 . 5.030 4.007 2.332 4.998 . 0 0 "[ . 1 . 2]" 1
782 1 48 TRP HB2 1 49 THR H 4.440 . 4.440 3.466 1.826 4.354 . 0 0 "[ . 1 . 2]" 1
783 1 48 TRP HB3 1 49 THR H 4.440 . 4.440 4.113 3.156 4.465 0.025 15 0 "[ . 1 . 2]" 1
784 1 49 THR H 1 49 THR HB 3.990 . 3.990 3.521 2.850 3.992 0.002 18 0 "[ . 1 . 2]" 1
785 1 49 THR H 1 49 THR MG 3.620 . 3.620 2.802 2.084 3.610 . 0 0 "[ . 1 . 2]" 1
786 1 49 THR H 1 50 ARG H 4.720 . 4.720 4.213 2.012 4.703 . 0 0 "[ . 1 . 2]" 1
787 1 49 THR HA 1 49 THR MG 3.250 . 3.250 2.324 1.951 3.193 . 0 0 "[ . 1 . 2]" 1
788 1 49 THR HB 1 50 ARG H 3.900 . 3.900 2.902 1.857 3.913 0.013 9 0 "[ . 1 . 2]" 1
789 1 50 ARG H 1 50 ARG QB 3.220 . 3.220 2.627 1.927 3.238 0.018 10 0 "[ . 1 . 2]" 1
790 1 50 ARG H 1 50 ARG QG 4.540 . 4.540 3.219 1.828 4.278 . 0 0 "[ . 1 . 2]" 1
791 1 51 ASN QB 1 52 ARG H 4.650 . 4.650 3.385 2.023 4.018 . 0 0 "[ . 1 . 2]" 1
792 1 52 ARG H 1 52 ARG QD 4.590 . 4.590 3.995 3.164 4.599 0.009 1 0 "[ . 1 . 2]" 1
793 1 52 ARG H 1 53 PRO QD 4.470 . 4.470 4.308 4.134 4.390 . 0 0 "[ . 1 . 2]" 1
794 1 52 ARG HA 1 52 ARG QD 4.210 . 4.210 3.039 1.866 4.191 . 0 0 "[ . 1 . 2]" 1
795 1 52 ARG HA 1 53 PRO HB3 5.010 . 5.010 4.937 4.842 5.030 0.020 5 0 "[ . 1 . 2]" 1
796 1 52 ARG HA 1 53 PRO QD 2.950 . 2.950 2.013 1.845 2.201 . 0 0 "[ . 1 . 2]" 1
797 1 53 PRO HA 1 54 ILE H 2.500 . 2.500 2.383 2.366 2.431 . 0 0 "[ . 1 . 2]" 1
798 1 53 PRO HA 1 54 ILE HB 5.060 . 5.060 4.564 4.357 4.712 . 0 0 "[ . 1 . 2]" 1
799 1 53 PRO HB2 1 54 ILE H 3.420 . 3.420 2.877 2.852 2.900 . 0 0 "[ . 1 . 2]" 1
800 1 53 PRO HB2 1 54 ILE MD 5.440 . 5.440 5.328 4.966 5.459 0.019 7 0 "[ . 1 . 2]" 1
801 1 53 PRO HB3 1 54 ILE H 3.640 . 3.640 3.601 3.513 3.647 0.007 17 0 "[ . 1 . 2]" 1
802 1 53 PRO QG 1 54 ILE H 4.350 . 4.350 4.360 4.331 4.375 0.025 10 0 "[ . 1 . 2]" 1
803 1 54 ILE H 1 54 ILE HB 2.890 . 2.890 2.301 2.214 2.413 . 0 0 "[ . 1 . 2]" 1
804 1 54 ILE H 1 54 ILE MD 3.920 . 3.920 3.463 2.996 3.879 . 0 0 "[ . 1 . 2]" 1
805 1 54 ILE H 1 54 ILE QG 3.170 . 3.170 2.468 2.199 2.898 . 0 0 "[ . 1 . 2]" 1
806 1 54 ILE H 1 54 ILE MG 4.070 . 4.070 3.696 3.659 3.749 . 0 0 "[ . 1 . 2]" 1
807 1 54 ILE H 1 55 VAL H 4.560 . 4.560 4.545 4.364 4.590 0.030 9 0 "[ . 1 . 2]" 1
808 1 54 ILE HA 1 54 ILE MD 3.790 . 3.790 1.861 1.788 1.994 . 0 0 "[ . 1 . 2]" 1
809 1 54 ILE HA 1 54 ILE MG 3.350 . 3.350 2.434 2.279 2.527 . 0 0 "[ . 1 . 2]" 1
810 1 54 ILE HA 1 55 VAL H 2.550 . 2.550 2.228 2.205 2.281 . 0 0 "[ . 1 . 2]" 1
811 1 54 ILE HA 1 55 VAL HB 4.780 . 4.780 4.466 4.270 4.765 . 0 0 "[ . 1 . 2]" 1
812 1 54 ILE HB 1 54 ILE MD 3.440 . 3.440 3.181 3.160 3.197 . 0 0 "[ . 1 . 2]" 1
813 1 54 ILE MD 1 54 ILE MG 3.140 . 3.140 1.881 1.715 2.082 . 0 0 "[ . 1 . 2]" 1
814 1 54 ILE MD 1 55 VAL HA 5.500 . 5.500 5.483 5.364 5.546 0.046 10 0 "[ . 1 . 2]" 1
815 1 54 ILE MD 1 70 MET QG 4.770 . 4.770 4.525 3.926 4.772 0.002 9 0 "[ . 1 . 2]" 1
816 1 54 ILE MD 1 72 PHE QB 3.910 . 3.910 3.751 3.436 3.924 0.014 5 0 "[ . 1 . 2]" 1
817 1 54 ILE QG 1 55 VAL H 5.090 . 5.090 4.634 4.531 4.758 . 0 0 "[ . 1 . 2]" 1
818 1 54 ILE MG 1 55 VAL H 3.640 . 3.640 2.578 2.393 3.090 . 0 0 "[ . 1 . 2]" 1
819 1 54 ILE MG 1 55 VAL HA 4.600 . 4.600 3.858 3.496 4.016 . 0 0 "[ . 1 . 2]" 1
820 1 54 ILE MG 1 56 SER H 5.130 . 5.130 4.626 4.414 4.814 . 0 0 "[ . 1 . 2]" 1
821 1 54 ILE MG 1 70 MET QG 3.730 . 3.730 2.914 2.206 3.579 . 0 0 "[ . 1 . 2]" 1
822 1 55 VAL H 1 55 VAL HB 3.460 . 3.460 2.591 2.296 2.925 . 0 0 "[ . 1 . 2]" 1
823 1 55 VAL H 1 55 VAL MG1 4.030 . 4.030 2.670 1.847 3.779 . 0 0 "[ . 1 . 2]" 1
824 1 55 VAL H 1 55 VAL QG 2.960 . 2.960 2.164 1.843 2.917 . 0 0 "[ . 1 . 2]" 1
825 1 55 VAL H 1 55 VAL MG2 4.030 . 4.030 3.269 2.266 3.863 . 0 0 "[ . 1 . 2]" 1
826 1 55 VAL HA 1 55 VAL QG 3.030 . 3.030 2.183 1.986 2.397 . 0 0 "[ . 1 . 2]" 1
827 1 55 VAL HA 1 56 SER H 2.510 . 2.510 2.300 2.243 2.344 . 0 0 "[ . 1 . 2]" 1
828 1 55 VAL HB 1 56 SER H 4.170 . 4.170 4.085 3.846 4.193 0.023 17 0 "[ . 1 . 2]" 1
829 1 55 VAL QG 1 56 SER H 2.940 . 2.940 2.174 1.870 2.501 . 0 0 "[ . 1 . 2]" 1
830 1 55 VAL QG 1 56 SER QB 4.460 . 4.460 4.124 3.824 4.399 . 0 0 "[ . 1 . 2]" 1
831 1 55 VAL MG1 1 56 SER H 4.160 . 4.160 3.102 1.903 3.917 . 0 0 "[ . 1 . 2]" 1
832 1 55 VAL MG1 1 56 SER HA 5.500 . 5.500 3.794 3.542 4.069 . 0 0 "[ . 1 . 2]" 1
833 1 55 VAL MG2 1 56 SER H 4.160 . 4.160 2.881 1.876 4.101 . 0 0 "[ . 1 . 2]" 1
834 1 55 VAL MG2 1 56 SER HA 5.500 . 5.500 4.497 3.450 5.539 0.039 8 0 "[ . 1 . 2]" 1
835 1 56 SER H 1 56 SER HB2 3.870 . 3.870 3.266 2.544 3.743 . 0 0 "[ . 1 . 2]" 1
836 1 56 SER H 1 56 SER QB 3.200 . 3.200 2.930 2.503 3.115 . 0 0 "[ . 1 . 2]" 1
837 1 56 SER H 1 56 SER HB3 3.870 . 3.870 3.508 3.115 3.787 . 0 0 "[ . 1 . 2]" 1
838 1 56 SER HA 1 57 THR H 3.010 . 3.010 2.291 2.229 2.311 . 0 0 "[ . 1 . 2]" 1
839 1 56 SER HA 1 57 THR HA 4.420 . 4.420 4.443 4.437 4.451 0.031 1 0 "[ . 1 . 2]" 1
840 1 56 SER HA 1 57 THR MG 4.500 . 4.500 3.471 3.039 4.385 . 0 0 "[ . 1 . 2]" 1
841 1 56 SER QB 1 57 THR H 3.380 . 3.380 2.944 2.853 3.085 . 0 0 "[ . 1 . 2]" 1
842 1 56 SER QB 1 57 THR MG 5.120 . 5.120 4.482 4.202 5.129 0.009 16 0 "[ . 1 . 2]" 1
843 1 56 SER QB 1 68 HIS HA 5.340 . 5.340 4.606 3.970 5.134 . 0 0 "[ . 1 . 2]" 1
844 1 56 SER QB 1 69 TYR H 4.700 . 4.700 4.282 3.598 4.706 0.006 1 0 "[ . 1 . 2]" 1
845 1 56 SER HB2 1 57 THR H 4.030 . 4.030 3.308 2.917 4.034 0.004 4 0 "[ . 1 . 2]" 1
846 1 56 SER HB3 1 57 THR H 4.030 . 4.030 3.547 2.988 4.033 0.003 11 0 "[ . 1 . 2]" 1
847 1 57 THR H 1 57 THR HB 3.870 . 3.870 3.599 3.329 3.685 . 0 0 "[ . 1 . 2]" 1
848 1 57 THR H 1 57 THR HG1 4.220 . 4.220 2.764 1.863 3.483 . 0 0 "[ . 1 . 2]" 1
849 1 57 THR H 1 57 THR MG 4.060 . 4.060 2.508 2.143 3.395 . 0 0 "[ . 1 . 2]" 1
850 1 57 THR H 1 58 LYS H 4.800 . 4.800 4.565 4.528 4.599 . 0 0 "[ . 1 . 2]" 1
851 1 57 THR H 1 69 TYR H 3.520 . 3.520 2.874 2.609 3.211 . 0 0 "[ . 1 . 2]" 1
852 1 57 THR H 1 70 MET HA 5.130 . 5.130 4.780 4.394 5.076 . 0 0 "[ . 1 . 2]" 1
853 1 57 THR HA 1 57 THR MG 3.260 . 3.260 2.318 1.971 2.498 . 0 0 "[ . 1 . 2]" 1
854 1 57 THR HA 1 58 LYS H 2.820 . 2.820 2.281 2.236 2.329 . 0 0 "[ . 1 . 2]" 1
855 1 57 THR HA 1 69 TYR H 5.230 . 5.230 4.975 4.663 5.191 . 0 0 "[ . 1 . 2]" 1
856 1 57 THR HB 1 58 LYS H 3.460 . 3.460 3.142 3.039 3.355 . 0 0 "[ . 1 . 2]" 1
857 1 57 THR HB 1 59 LYS QD 4.720 . 4.720 3.932 2.905 4.663 . 0 0 "[ . 1 . 2]" 1
858 1 57 THR HB 1 68 HIS HA 5.500 . 5.500 5.203 4.275 5.510 0.010 9 0 "[ . 1 . 2]" 1
859 1 57 THR HB 1 69 TYR H 5.020 . 5.020 4.416 3.292 4.796 . 0 0 "[ . 1 . 2]" 1
860 1 57 THR HB 1 69 TYR QB 4.650 . 4.650 3.961 2.873 4.423 . 0 0 "[ . 1 . 2]" 1
861 1 57 THR HB 1 69 TYR QD 4.540 . 4.540 3.686 1.851 4.379 . 0 0 "[ . 1 . 2]" 1
862 1 57 THR HG1 1 68 HIS HA 4.890 . 4.890 4.063 3.189 4.735 . 0 0 "[ . 1 . 2]" 1
863 1 57 THR HG1 1 69 TYR H 3.420 . 3.420 2.652 1.858 3.238 . 0 0 "[ . 1 . 2]" 1
864 1 57 THR MG 1 58 LYS H 4.240 . 4.240 3.970 3.228 4.151 . 0 0 "[ . 1 . 2]" 1
865 1 57 THR MG 1 59 LYS QE 3.990 . 3.990 3.616 3.121 3.991 0.001 18 0 "[ . 1 . 2]" 1
866 1 57 THR MG 1 68 HIS HA 5.500 . 5.500 5.394 5.086 5.516 0.016 1 0 "[ . 1 . 2]" 1
867 1 57 THR MG 1 69 TYR H 4.490 . 4.490 4.117 3.684 4.435 . 0 0 "[ . 1 . 2]" 1
868 1 57 THR MG 1 69 TYR QB 4.680 . 4.680 3.262 2.874 3.663 . 0 0 "[ . 1 . 2]" 1
869 1 57 THR MG 1 69 TYR QD 4.380 . 4.380 4.179 3.384 4.383 0.003 20 0 "[ . 1 . 2]" 1
870 1 58 LYS H 1 58 LYS QB 3.070 . 3.070 2.902 2.755 3.044 . 0 0 "[ . 1 . 2]" 1
871 1 58 LYS H 1 58 LYS QD 4.400 . 4.400 3.502 2.031 4.388 . 0 0 "[ . 1 . 2]" 1
872 1 58 LYS H 1 58 LYS QG 3.780 . 3.780 1.971 1.834 2.333 . 0 0 "[ . 1 . 2]" 1
873 1 58 LYS HA 1 58 LYS QD 4.530 . 4.530 4.251 3.624 4.538 0.008 16 0 "[ . 1 . 2]" 1
874 1 58 LYS HA 1 59 LYS H 2.760 . 2.760 2.213 2.197 2.229 . 0 0 "[ . 1 . 2]" 1
875 1 58 LYS HA 1 66 THR MG 4.480 . 4.480 3.021 2.688 3.525 . 0 0 "[ . 1 . 2]" 1
876 1 58 LYS HA 1 68 HIS HA 3.940 . 3.940 3.056 2.694 3.454 . 0 0 "[ . 1 . 2]" 1
877 1 58 LYS HA 1 69 TYR H 4.940 . 4.940 4.599 4.266 4.861 . 0 0 "[ . 1 . 2]" 1
878 1 58 LYS HA 1 69 TYR QD 4.990 . 4.990 4.284 3.774 4.535 . 0 0 "[ . 1 . 2]" 1
879 1 58 LYS QB 1 58 LYS QE 2.630 . 2.630 2.236 1.832 2.636 0.006 2 0 "[ . 1 . 2]" 1
880 1 58 LYS QB 1 59 LYS H 3.370 . 3.370 3.326 3.174 3.375 0.005 18 0 "[ . 1 . 2]" 1
881 1 58 LYS QB 1 66 THR MG 3.060 . 3.060 2.350 1.901 2.987 . 0 0 "[ . 1 . 2]" 1
882 1 58 LYS QB 1 67 HIS H 4.980 . 4.980 4.684 4.177 4.982 0.002 9 0 "[ . 1 . 2]" 1
883 1 58 LYS QG 1 59 LYS H 4.610 . 4.610 4.096 3.717 4.357 . 0 0 "[ . 1 . 2]" 1
884 1 58 LYS QG 1 59 LYS QB 5.340 . 5.340 5.015 4.675 5.329 . 0 0 "[ . 1 . 2]" 1
885 1 59 LYS H 1 59 LYS HB2 3.960 . 3.960 2.507 2.336 2.609 . 0 0 "[ . 1 . 2]" 1
886 1 59 LYS H 1 59 LYS QB 3.270 . 3.270 2.459 2.301 2.544 . 0 0 "[ . 1 . 2]" 1
887 1 59 LYS H 1 59 LYS HB3 3.960 . 3.960 3.576 3.298 3.715 . 0 0 "[ . 1 . 2]" 1
888 1 59 LYS H 1 59 LYS QE 4.710 . 4.710 4.158 3.392 4.697 . 0 0 "[ . 1 . 2]" 1
889 1 59 LYS H 1 60 LEU H 4.460 . 4.460 4.300 4.164 4.417 . 0 0 "[ . 1 . 2]" 1
890 1 59 LYS H 1 66 THR HA 4.290 . 4.290 3.790 3.532 4.295 0.005 19 0 "[ . 1 . 2]" 1
891 1 59 LYS H 1 66 THR MG 3.570 . 3.570 2.744 2.160 3.500 . 0 0 "[ . 1 . 2]" 1
892 1 59 LYS H 1 67 HIS H 3.470 . 3.470 2.390 2.063 2.737 . 0 0 "[ . 1 . 2]" 1
893 1 59 LYS H 1 67 HIS QB 4.040 . 4.040 3.276 2.900 3.775 . 0 0 "[ . 1 . 2]" 1
894 1 59 LYS H 1 67 HIS HD1 5.500 . 5.500 5.219 4.678 5.512 0.012 19 0 "[ . 1 . 2]" 1
895 1 59 LYS H 1 68 HIS HA 4.780 . 4.780 4.177 3.851 4.493 . 0 0 "[ . 1 . 2]" 1
896 1 59 LYS H 1 69 TYR QD 4.820 . 4.820 4.590 4.290 4.803 . 0 0 "[ . 1 . 2]" 1
897 1 59 LYS HA 1 60 LEU H 2.760 . 2.760 2.231 2.208 2.272 . 0 0 "[ . 1 . 2]" 1
898 1 59 LYS HA 1 60 LEU QB 4.730 . 4.730 4.397 4.211 4.625 . 0 0 "[ . 1 . 2]" 1
899 1 59 LYS HA 1 60 LEU QD 3.820 . 3.820 3.267 2.892 3.816 . 0 0 "[ . 1 . 2]" 1
900 1 59 LYS HA 1 67 HIS H 4.910 . 4.910 4.419 4.104 4.803 . 0 0 "[ . 1 . 2]" 1
901 1 59 LYS HA 1 67 HIS QB 5.500 . 5.500 5.056 4.567 5.508 0.008 5 0 "[ . 1 . 2]" 1
902 1 59 LYS QB 1 59 LYS QD 3.390 . 3.390 2.100 1.900 2.377 . 0 0 "[ . 1 . 2]" 1
903 1 59 LYS QB 1 59 LYS QE 3.390 . 3.390 2.856 1.864 3.396 0.006 12 0 "[ . 1 . 2]" 1
904 1 59 LYS QB 1 60 LEU H 3.450 . 3.450 3.372 3.222 3.456 0.006 3 0 "[ . 1 . 2]" 1
905 1 59 LYS QB 1 67 HIS H 4.520 . 4.520 3.463 3.139 3.764 . 0 0 "[ . 1 . 2]" 1
906 1 59 LYS QB 1 69 TYR QE 3.730 . 3.730 2.514 1.866 2.901 . 0 0 "[ . 1 . 2]" 1
907 1 59 LYS HB2 1 69 TYR QE 4.390 . 4.390 2.546 1.884 2.945 . 0 0 "[ . 1 . 2]" 1
908 1 59 LYS HB3 1 69 TYR QE 4.390 . 4.390 3.909 3.002 4.373 . 0 0 "[ . 1 . 2]" 1
909 1 59 LYS QD 1 69 TYR QD 4.790 . 4.790 4.003 3.043 4.762 . 0 0 "[ . 1 . 2]" 1
910 1 59 LYS QD 1 69 TYR QE 4.620 . 4.620 3.263 2.608 3.872 . 0 0 "[ . 1 . 2]" 1
911 1 59 LYS QG 1 60 LEU H 3.980 . 3.980 3.685 3.072 3.936 . 0 0 "[ . 1 . 2]" 1
912 1 60 LEU H 1 60 LEU HB2 3.760 . 3.760 3.629 3.547 3.745 . 0 0 "[ . 1 . 2]" 1
913 1 60 LEU H 1 60 LEU QB 3.290 . 3.290 2.821 2.606 3.088 . 0 0 "[ . 1 . 2]" 1
914 1 60 LEU H 1 60 LEU HB3 3.760 . 3.760 2.953 2.677 3.396 . 0 0 "[ . 1 . 2]" 1
915 1 60 LEU H 1 60 LEU QD 3.920 . 3.920 2.113 1.869 2.598 . 0 0 "[ . 1 . 2]" 1
916 1 60 LEU H 1 61 ASP H 4.700 . 4.700 4.527 4.448 4.618 . 0 0 "[ . 1 . 2]" 1
917 1 60 LEU H 1 66 THR HA 4.870 . 4.870 4.182 3.756 4.643 . 0 0 "[ . 1 . 2]" 1
918 1 60 LEU HA 1 60 LEU MD1 4.050 . 4.050 3.865 3.506 4.035 . 0 0 "[ . 1 . 2]" 1
919 1 60 LEU HA 1 60 LEU QD 3.480 . 3.480 3.383 3.310 3.432 . 0 0 "[ . 1 . 2]" 1
920 1 60 LEU HA 1 60 LEU MD2 4.050 . 4.050 3.780 3.535 4.063 0.013 20 0 "[ . 1 . 2]" 1
921 1 60 LEU HA 1 61 ASP H 2.550 . 2.550 2.251 2.216 2.285 . 0 0 "[ . 1 . 2]" 1
922 1 60 LEU HA 1 65 ARG H 4.540 . 4.540 4.320 3.929 4.544 0.004 6 0 "[ . 1 . 2]" 1
923 1 60 LEU HA 1 66 THR HA 3.670 . 3.670 2.282 1.898 2.806 . 0 0 "[ . 1 . 2]" 1
924 1 60 LEU HA 1 67 HIS H 3.860 . 3.860 3.443 3.164 3.851 . 0 0 "[ . 1 . 2]" 1
925 1 60 LEU QB 1 60 LEU QD 2.660 . 2.660 1.778 1.692 1.890 . 0 0 "[ . 1 . 2]" 1
926 1 60 LEU QB 1 61 ASP H 3.170 . 3.170 3.078 2.960 3.171 0.001 7 0 "[ . 1 . 2]" 1
927 1 60 LEU QB 1 64 GLY H 3.940 . 3.940 3.855 3.721 3.946 0.006 3 0 "[ . 1 . 2]" 1
928 1 60 LEU QB 1 64 GLY QA 4.170 . 4.170 2.753 2.410 3.301 . 0 0 "[ . 1 . 2]" 1
929 1 60 LEU QB 1 66 THR HA 4.090 . 4.090 2.873 2.227 3.156 . 0 0 "[ . 1 . 2]" 1
930 1 60 LEU QB 1 66 THR HB 5.290 . 5.290 4.670 3.750 5.195 . 0 0 "[ . 1 . 2]" 1
931 1 60 LEU QD 1 61 ASP H 4.200 . 4.200 3.909 3.584 4.218 0.018 10 0 "[ . 1 . 2]" 1
932 1 60 LEU QD 1 61 ASP HA 4.650 . 4.650 4.235 3.644 4.578 . 0 0 "[ . 1 . 2]" 1
933 1 60 LEU QD 1 64 GLY QA 4.010 . 4.010 2.907 2.391 3.692 . 0 0 "[ . 1 . 2]" 1
934 1 60 LEU QD 1 66 THR HA 4.090 . 4.090 4.033 3.791 4.103 0.013 1 0 "[ . 1 . 2]" 1
935 1 60 LEU QD 1 67 HIS H 5.270 . 5.270 5.065 4.845 5.271 0.001 18 0 "[ . 1 . 2]" 1
936 1 60 LEU MD1 1 64 GLY QA 4.980 . 4.980 3.032 2.403 4.359 . 0 0 "[ . 1 . 2]" 1
937 1 60 LEU MD2 1 64 GLY QA 4.980 . 4.980 4.549 3.733 4.983 0.003 10 0 "[ . 1 . 2]" 1
938 1 61 ASP H 1 61 ASP QB 3.240 . 3.240 2.178 2.023 2.698 . 0 0 "[ . 1 . 2]" 1
939 1 61 ASP H 1 64 GLY H 3.580 . 3.580 3.449 3.261 3.594 0.014 20 0 "[ . 1 . 2]" 1
940 1 61 ASP H 1 64 GLY QA 4.660 . 4.660 4.152 3.787 4.559 . 0 0 "[ . 1 . 2]" 1
941 1 61 ASP H 1 65 ARG H 3.280 . 3.280 3.071 2.667 3.282 0.002 13 0 "[ . 1 . 2]" 1
942 1 61 ASP H 1 65 ARG QB 4.570 . 4.570 3.479 3.223 3.758 . 0 0 "[ . 1 . 2]" 1
943 1 61 ASP H 1 66 THR HA 4.790 . 4.790 4.196 3.774 4.699 . 0 0 "[ . 1 . 2]" 1
944 1 61 ASP HA 1 63 GLU H 4.580 . 4.580 4.200 4.063 4.444 . 0 0 "[ . 1 . 2]" 1
945 1 61 ASP QB 1 62 LYS H 3.850 . 3.850 2.234 1.917 2.777 . 0 0 "[ . 1 . 2]" 1
946 1 61 ASP QB 1 63 GLU H 4.110 . 4.110 2.399 2.155 2.917 . 0 0 "[ . 1 . 2]" 1
947 1 62 LYS H 1 62 LYS QB 3.610 . 3.610 2.330 2.083 2.614 . 0 0 "[ . 1 . 2]" 1
948 1 62 LYS H 1 62 LYS QG 4.300 . 4.300 2.767 1.829 3.985 . 0 0 "[ . 1 . 2]" 1
949 1 62 LYS H 1 63 GLU H 3.760 . 3.760 2.652 2.572 2.740 . 0 0 "[ . 1 . 2]" 1
950 1 62 LYS HA 1 62 LYS QD 4.160 . 4.160 3.746 1.879 4.167 0.007 17 0 "[ . 1 . 2]" 1
951 1 62 LYS HA 1 64 GLY H 4.490 . 4.490 3.799 3.714 3.931 . 0 0 "[ . 1 . 2]" 1
952 1 62 LYS QB 1 64 GLY H 4.930 . 4.930 4.813 4.561 4.933 0.003 9 0 "[ . 1 . 2]" 1
953 1 62 LYS QD 1 63 GLU H 4.140 . 4.140 3.709 3.005 4.198 0.058 19 0 "[ . 1 . 2]" 1
954 1 62 LYS QE 1 62 LYS QG 3.270 . 3.270 2.104 1.898 2.406 . 0 0 "[ . 1 . 2]" 1
955 1 62 LYS QG 1 63 GLU QG 4.080 . 4.080 3.057 1.879 4.091 0.011 6 0 "[ . 1 . 2]" 1
956 1 63 GLU H 1 63 GLU HB2 2.800 . 2.800 2.224 2.048 2.431 . 0 0 "[ . 1 . 2]" 1
957 1 63 GLU H 1 63 GLU HB3 4.030 . 4.030 3.516 3.412 3.600 . 0 0 "[ . 1 . 2]" 1
958 1 63 GLU H 1 63 GLU HG2 4.140 . 4.140 3.372 2.673 4.018 . 0 0 "[ . 1 . 2]" 1
959 1 63 GLU H 1 63 GLU HG3 4.140 . 4.140 2.911 2.055 3.742 . 0 0 "[ . 1 . 2]" 1
960 1 63 GLU HA 1 63 GLU HG2 3.740 . 3.740 2.455 2.018 3.401 . 0 0 "[ . 1 . 2]" 1
961 1 63 GLU HA 1 63 GLU QG 3.200 . 3.200 2.266 2.001 2.622 . 0 0 "[ . 1 . 2]" 1
962 1 63 GLU HA 1 63 GLU HG3 3.740 . 3.740 3.154 2.200 3.649 . 0 0 "[ . 1 . 2]" 1
963 1 63 GLU HA 1 64 GLY H 3.410 . 3.410 3.412 3.373 3.428 0.018 20 0 "[ . 1 . 2]" 1
964 1 63 GLU HB2 1 64 GLY H 3.880 . 3.880 3.238 3.122 3.375 . 0 0 "[ . 1 . 2]" 1
965 1 63 GLU HB2 1 65 ARG H 4.090 . 4.090 2.854 2.563 3.104 . 0 0 "[ . 1 . 2]" 1
966 1 63 GLU HB2 1 65 ARG HA 5.500 . 5.500 5.264 4.981 5.476 . 0 0 "[ . 1 . 2]" 1
967 1 63 GLU HB3 1 64 GLY H 4.120 . 4.120 4.003 3.818 4.134 0.014 16 0 "[ . 1 . 2]" 1
968 1 63 GLU HB3 1 65 ARG H 4.340 . 4.340 3.521 3.044 4.025 . 0 0 "[ . 1 . 2]" 1
969 1 64 GLY H 1 65 ARG H 2.890 . 2.890 2.386 2.285 2.458 . 0 0 "[ . 1 . 2]" 1
970 1 64 GLY H 1 65 ARG HA 5.140 . 5.140 5.109 5.041 5.150 0.010 4 0 "[ . 1 . 2]" 1
971 1 64 GLY H 1 65 ARG QB 4.270 . 4.270 4.096 3.976 4.247 . 0 0 "[ . 1 . 2]" 1
972 1 65 ARG H 1 65 ARG QB 3.130 . 3.130 2.116 1.929 2.272 . 0 0 "[ . 1 . 2]" 1
973 1 65 ARG H 1 65 ARG QG 4.140 . 4.140 3.904 3.545 4.051 . 0 0 "[ . 1 . 2]" 1
974 1 65 ARG H 1 66 THR H 4.620 . 4.620 4.512 4.461 4.569 . 0 0 "[ . 1 . 2]" 1
975 1 65 ARG HA 1 65 ARG QD 4.100 . 4.100 3.243 1.855 4.103 0.003 20 0 "[ . 1 . 2]" 1
976 1 65 ARG HA 1 65 ARG QG 3.750 . 3.750 2.211 1.988 2.426 . 0 0 "[ . 1 . 2]" 1
977 1 65 ARG HA 1 66 THR H 2.670 . 2.670 2.213 2.206 2.224 . 0 0 "[ . 1 . 2]" 1
978 1 65 ARG HA 1 66 THR HB 5.030 . 5.030 4.455 4.328 4.557 . 0 0 "[ . 1 . 2]" 1
979 1 65 ARG HA 1 89 GLU H 5.500 . 5.500 5.301 5.031 5.507 0.007 12 0 "[ . 1 . 2]" 1
980 1 65 ARG HA 1 89 GLU QB 5.500 . 5.500 5.275 4.910 5.507 0.007 9 0 "[ . 1 . 2]" 1
981 1 65 ARG HA 1 89 GLU QG 3.800 . 3.800 3.342 2.966 3.657 . 0 0 "[ . 1 . 2]" 1
982 1 65 ARG QB 1 66 THR H 3.920 . 3.920 3.776 3.588 3.873 . 0 0 "[ . 1 . 2]" 1
983 1 65 ARG QD 1 89 GLU H 5.500 . 5.500 4.799 3.493 5.491 . 0 0 "[ . 1 . 2]" 1
984 1 65 ARG QD 1 89 GLU QG 4.550 . 4.550 3.859 3.227 4.551 0.001 19 0 "[ . 1 . 2]" 1
985 1 65 ARG QG 1 66 THR H 4.100 . 4.100 3.050 2.683 3.451 . 0 0 "[ . 1 . 2]" 1
986 1 65 ARG QG 1 67 HIS HD2 4.960 . 4.960 3.752 2.543 4.775 . 0 0 "[ . 1 . 2]" 1
987 1 65 ARG QG 1 89 GLU H 4.360 . 4.360 3.584 3.155 4.052 . 0 0 "[ . 1 . 2]" 1
988 1 65 ARG QG 1 89 GLU QG 3.440 . 3.440 2.527 2.003 3.381 . 0 0 "[ . 1 . 2]" 1
989 1 66 THR H 1 66 THR HB 2.850 . 2.850 2.273 2.150 2.382 . 0 0 "[ . 1 . 2]" 1
990 1 66 THR H 1 66 THR HG1 4.180 . 4.180 3.184 2.075 3.854 . 0 0 "[ . 1 . 2]" 1
991 1 66 THR H 1 66 THR MG 3.970 . 3.970 3.685 3.621 3.744 . 0 0 "[ . 1 . 2]" 1
992 1 66 THR H 1 89 GLU H 5.010 . 5.010 4.203 3.762 4.569 . 0 0 "[ . 1 . 2]" 1
993 1 66 THR H 1 89 GLU QG 3.710 . 3.710 2.207 1.816 2.555 . 0 0 "[ . 1 . 2]" 1
994 1 66 THR HA 1 66 THR MG 3.220 . 3.220 2.442 2.328 2.553 . 0 0 "[ . 1 . 2]" 1
995 1 66 THR HA 1 67 HIS H 2.720 . 2.720 2.224 2.207 2.254 . 0 0 "[ . 1 . 2]" 1
996 1 66 THR HA 1 67 HIS HA 4.880 . 4.880 4.486 4.476 4.494 . 0 0 "[ . 1 . 2]" 1
997 1 66 THR HA 1 67 HIS QB 4.780 . 4.780 4.286 3.880 4.428 . 0 0 "[ . 1 . 2]" 1
998 1 66 THR HB 1 67 HIS H 4.600 . 4.600 4.267 4.143 4.377 . 0 0 "[ . 1 . 2]" 1
999 1 66 THR HB 1 89 GLU H 4.800 . 4.800 4.251 3.879 4.789 . 0 0 "[ . 1 . 2]" 1
1000 1 66 THR HB 1 89 GLU QB 3.770 . 3.770 3.466 2.963 3.777 0.007 17 0 "[ . 1 . 2]" 1
1001 1 66 THR HB 1 89 GLU QG 4.250 . 4.250 2.037 1.828 2.959 . 0 0 "[ . 1 . 2]" 1
1002 1 66 THR MG 1 67 HIS H 3.070 . 3.070 2.536 2.269 2.795 . 0 0 "[ . 1 . 2]" 1
1003 1 66 THR MG 1 67 HIS HA 4.480 . 4.480 3.764 3.617 3.910 . 0 0 "[ . 1 . 2]" 1
1004 1 66 THR MG 1 68 HIS H 4.730 . 4.730 4.492 4.297 4.664 . 0 0 "[ . 1 . 2]" 1
1005 1 66 THR MG 1 89 GLU H 4.920 . 4.920 4.455 4.100 4.743 . 0 0 "[ . 1 . 2]" 1
1006 1 67 HIS H 1 67 HIS QB 3.570 . 3.570 2.363 2.238 2.520 . 0 0 "[ . 1 . 2]" 1
1007 1 67 HIS H 1 68 HIS H 4.670 . 4.670 4.534 4.484 4.567 . 0 0 "[ . 1 . 2]" 1
1008 1 67 HIS HA 1 68 HIS H 2.740 . 2.740 2.285 2.240 2.322 . 0 0 "[ . 1 . 2]" 1
1009 1 67 HIS HA 1 68 HIS QB 4.090 . 4.090 4.001 3.860 4.110 0.020 5 0 "[ . 1 . 2]" 1
1010 1 67 HIS HA 1 88 LYS HA 3.610 . 3.610 2.419 2.032 2.813 . 0 0 "[ . 1 . 2]" 1
1011 1 67 HIS HA 1 88 LYS QG 5.000 . 5.000 4.656 3.663 5.029 0.029 5 0 "[ . 1 . 2]" 1
1012 1 67 HIS HA 1 89 GLU H 3.730 . 3.730 3.414 2.972 3.734 0.004 17 0 "[ . 1 . 2]" 1
1013 1 67 HIS QB 1 68 HIS H 3.900 . 3.900 3.043 2.913 3.409 . 0 0 "[ . 1 . 2]" 1
1014 1 67 HIS HD2 1 68 HIS H 4.550 . 4.550 4.257 3.927 4.551 0.001 5 0 "[ . 1 . 2]" 1
1015 1 67 HIS HD2 1 88 LYS HA 4.880 . 4.880 2.582 2.001 3.042 . 0 0 "[ . 1 . 2]" 1
1016 1 67 HIS HD2 1 89 GLU H 4.230 . 4.230 3.489 2.753 4.018 . 0 0 "[ . 1 . 2]" 1
1017 1 67 HIS HD2 1 89 GLU QG 4.910 . 4.910 4.319 3.650 4.835 . 0 0 "[ . 1 . 2]" 1
1018 1 68 HIS H 1 68 HIS QB 3.140 . 3.140 2.295 2.223 2.398 . 0 0 "[ . 1 . 2]" 1
1019 1 68 HIS H 1 87 ALA H 3.730 . 3.730 3.439 2.972 3.735 0.005 10 0 "[ . 1 . 2]" 1
1020 1 68 HIS H 1 87 ALA MB 4.060 . 4.060 3.597 3.050 4.064 0.004 17 0 "[ . 1 . 2]" 1
1021 1 68 HIS H 1 88 LYS HA 3.770 . 3.770 3.160 2.820 3.636 . 0 0 "[ . 1 . 2]" 1
1022 1 68 HIS H 1 88 LYS QB 5.100 . 5.100 4.407 3.749 5.100 . 0 0 "[ . 1 . 2]" 1
1023 1 68 HIS H 1 89 GLU H 5.100 . 5.100 4.709 4.328 5.033 . 0 0 "[ . 1 . 2]" 1
1024 1 68 HIS H 1 96 PRO QB 5.320 . 5.320 4.567 3.700 5.236 . 0 0 "[ . 1 . 2]" 1
1025 1 68 HIS HA 1 69 TYR H 2.760 . 2.760 2.242 2.220 2.278 . 0 0 "[ . 1 . 2]" 1
1026 1 68 HIS HA 1 69 TYR QB 5.400 . 5.400 4.348 4.250 4.469 . 0 0 "[ . 1 . 2]" 1
1027 1 68 HIS HA 1 69 TYR QD 4.680 . 4.680 2.962 2.548 3.719 . 0 0 "[ . 1 . 2]" 1
1028 1 68 HIS QB 1 87 ALA MB 3.920 . 3.920 2.549 2.059 3.007 . 0 0 "[ . 1 . 2]" 1
1029 1 69 TYR H 1 69 TYR QB 3.730 . 3.730 2.510 2.405 2.632 . 0 0 "[ . 1 . 2]" 1
1030 1 69 TYR H 1 69 TYR QD 3.280 . 3.280 2.351 1.980 2.922 . 0 0 "[ . 1 . 2]" 1
1031 1 69 TYR H 1 69 TYR QE 4.860 . 4.860 4.464 4.121 4.856 . 0 0 "[ . 1 . 2]" 1
1032 1 69 TYR H 1 70 MET H 4.480 . 4.480 4.329 4.265 4.430 . 0 0 "[ . 1 . 2]" 1
1033 1 69 TYR H 1 70 MET HA 5.140 . 5.140 4.947 4.853 5.093 . 0 0 "[ . 1 . 2]" 1
1034 1 69 TYR H 1 86 GLU QG 5.500 . 5.500 5.136 4.667 5.415 . 0 0 "[ . 1 . 2]" 1
1035 1 69 TYR HA 1 69 TYR QD 4.230 . 4.230 3.002 2.593 3.156 . 0 0 "[ . 1 . 2]" 1
1036 1 69 TYR HA 1 70 MET H 2.790 . 2.790 2.220 2.203 2.241 . 0 0 "[ . 1 . 2]" 1
1037 1 69 TYR HA 1 70 MET HA 5.200 . 5.200 4.495 4.489 4.512 . 0 0 "[ . 1 . 2]" 1
1038 1 69 TYR HA 1 85 LEU QD 4.450 . 4.450 3.890 3.314 4.264 . 0 0 "[ . 1 . 2]" 1
1039 1 69 TYR HA 1 86 GLU QG 4.180 . 4.180 2.971 2.242 3.617 . 0 0 "[ . 1 . 2]" 1
1040 1 69 TYR HA 1 87 ALA H 4.740 . 4.740 3.568 3.249 3.835 . 0 0 "[ . 1 . 2]" 1
1041 1 69 TYR QB 1 70 MET H 3.460 . 3.460 3.388 3.189 3.466 0.006 20 0 "[ . 1 . 2]" 1
1042 1 69 TYR QB 1 70 MET QB 5.320 . 5.320 4.725 4.595 4.831 . 0 0 "[ . 1 . 2]" 1
1043 1 69 TYR QD 1 86 GLU HA 5.080 . 5.080 3.972 2.606 4.632 . 0 0 "[ . 1 . 2]" 1
1044 1 69 TYR QD 1 86 GLU QG 5.020 . 5.020 2.275 1.792 2.907 . 0 0 "[ . 1 . 2]" 1
1045 1 70 MET H 1 70 MET QB 3.410 . 3.410 2.542 2.425 2.626 . 0 0 "[ . 1 . 2]" 1
1046 1 70 MET H 1 70 MET QG 4.760 . 4.760 4.106 4.009 4.213 . 0 0 "[ . 1 . 2]" 1
1047 1 70 MET H 1 71 ARG H 4.440 . 4.440 4.373 4.229 4.434 . 0 0 "[ . 1 . 2]" 1
1048 1 70 MET H 1 85 LEU QD 3.750 . 3.750 2.910 2.534 3.352 . 0 0 "[ . 1 . 2]" 1
1049 1 70 MET H 1 85 LEU HG 3.620 . 3.620 3.225 2.798 3.621 0.001 17 0 "[ . 1 . 2]" 1
1050 1 70 MET H 1 87 ALA H 5.190 . 5.190 4.572 4.290 4.768 . 0 0 "[ . 1 . 2]" 1
1051 1 70 MET HA 1 70 MET QG 3.670 . 3.670 2.165 1.960 2.478 . 0 0 "[ . 1 . 2]" 1
1052 1 70 MET HA 1 71 ARG H 2.650 . 2.650 2.246 2.209 2.291 . 0 0 "[ . 1 . 2]" 1
1053 1 70 MET HA 1 71 ARG QB 4.820 . 4.820 4.302 4.127 4.481 . 0 0 "[ . 1 . 2]" 1
1054 1 70 MET HA 1 71 ARG QG 5.090 . 5.090 3.524 3.005 4.009 . 0 0 "[ . 1 . 2]" 1
1055 1 70 MET QB 1 85 LEU H 4.570 . 4.570 4.300 3.887 4.560 . 0 0 "[ . 1 . 2]" 1
1056 1 70 MET QB 1 85 LEU QD 4.010 . 4.010 2.341 1.961 2.649 . 0 0 "[ . 1 . 2]" 1
1057 1 70 MET QG 1 85 LEU QD 4.150 . 4.150 3.388 2.342 4.022 . 0 0 "[ . 1 . 2]" 1
1058 1 70 MET HG2 1 71 ARG H 3.860 . 3.860 3.384 2.729 3.864 0.004 17 0 "[ . 1 . 2]" 1
1059 1 70 MET HG3 1 71 ARG H 3.860 . 3.860 2.937 2.191 3.774 . 0 0 "[ . 1 . 2]" 1
1060 1 71 ARG H 1 71 ARG QB 3.460 . 3.460 3.037 2.751 3.176 . 0 0 "[ . 1 . 2]" 1
1061 1 71 ARG H 1 71 ARG QD 4.420 . 4.420 4.066 3.204 4.327 . 0 0 "[ . 1 . 2]" 1
1062 1 71 ARG H 1 71 ARG HG2 3.760 . 3.760 2.710 1.848 3.755 . 0 0 "[ . 1 . 2]" 1
1063 1 71 ARG H 1 71 ARG HG3 3.760 . 3.760 2.609 1.955 3.641 . 0 0 "[ . 1 . 2]" 1
1064 1 71 ARG HA 1 71 ARG QD 4.790 . 4.790 4.160 3.589 4.525 . 0 0 "[ . 1 . 2]" 1
1065 1 71 ARG HA 1 72 PHE H 2.620 . 2.620 2.290 2.245 2.339 . 0 0 "[ . 1 . 2]" 1
1066 1 71 ARG HA 1 83 VAL H 5.500 . 5.500 5.267 5.059 5.460 . 0 0 "[ . 1 . 2]" 1
1067 1 71 ARG HA 1 83 VAL HB 5.500 . 5.500 4.774 4.440 5.245 . 0 0 "[ . 1 . 2]" 1
1068 1 71 ARG HA 1 83 VAL QG 5.330 . 5.330 4.341 3.936 4.622 . 0 0 "[ . 1 . 2]" 1
1069 1 71 ARG HA 1 84 HIS H 5.500 . 5.500 5.156 4.881 5.416 . 0 0 "[ . 1 . 2]" 1
1070 1 71 ARG HA 1 84 HIS HA 3.780 . 3.780 2.595 2.200 3.034 . 0 0 "[ . 1 . 2]" 1
1071 1 71 ARG HA 1 85 LEU H 3.790 . 3.790 3.255 2.742 3.677 . 0 0 "[ . 1 . 2]" 1
1072 1 71 ARG QB 1 71 ARG QD 3.280 . 3.280 2.106 1.917 2.329 . 0 0 "[ . 1 . 2]" 1
1073 1 71 ARG QB 1 72 PHE H 3.080 . 3.080 2.969 2.804 3.089 0.009 1 0 "[ . 1 . 2]" 1
1074 1 71 ARG QB 1 82 LEU QD 4.240 . 4.240 3.053 2.794 3.395 . 0 0 "[ . 1 . 2]" 1
1075 1 71 ARG QB 1 84 HIS HA 5.380 . 5.380 2.758 2.082 3.589 . 0 0 "[ . 1 . 2]" 1
1076 1 71 ARG QD 1 82 LEU QD 4.310 . 4.310 3.448 2.369 4.291 . 0 0 "[ . 1 . 2]" 1
1077 1 71 ARG QG 1 72 PHE H 4.420 . 4.420 4.040 3.630 4.390 . 0 0 "[ . 1 . 2]" 1
1078 1 71 ARG QG 1 82 LEU QD 4.820 . 4.820 4.214 3.838 4.824 0.004 10 0 "[ . 1 . 2]" 1
1079 1 72 PHE H 1 73 HIS H 4.630 . 4.630 4.408 4.360 4.446 . 0 0 "[ . 1 . 2]" 1
1080 1 72 PHE H 1 74 VAL QG 5.440 . 5.440 4.904 4.592 5.140 . 0 0 "[ . 1 . 2]" 1
1081 1 72 PHE H 1 82 LEU QD 3.630 . 3.630 3.204 2.647 3.635 0.005 10 0 "[ . 1 . 2]" 1
1082 1 72 PHE H 1 83 VAL H 3.930 . 3.930 3.475 3.258 3.715 . 0 0 "[ . 1 . 2]" 1
1083 1 72 PHE H 1 83 VAL HB 4.430 . 4.430 3.378 3.102 3.716 . 0 0 "[ . 1 . 2]" 1
1084 1 72 PHE H 1 83 VAL QG 4.030 . 4.030 3.885 3.471 4.036 0.006 15 0 "[ . 1 . 2]" 1
1085 1 72 PHE H 1 84 HIS HA 4.250 . 4.250 3.765 3.281 4.206 . 0 0 "[ . 1 . 2]" 1
1086 1 72 PHE HA 1 73 HIS H 3.410 . 3.410 2.383 2.322 2.496 . 0 0 "[ . 1 . 2]" 1
1087 1 72 PHE QB 1 73 HIS H 3.120 . 3.120 2.714 2.446 2.859 . 0 0 "[ . 1 . 2]" 1
1088 1 73 HIS H 1 73 HIS QB 3.350 . 3.350 2.349 2.008 2.722 . 0 0 "[ . 1 . 2]" 1
1089 1 73 HIS H 1 74 VAL QG 5.280 . 5.280 4.312 4.137 4.500 . 0 0 "[ . 1 . 2]" 1
1090 1 73 HIS H 1 82 LEU QD 4.650 . 4.650 3.910 3.205 4.642 . 0 0 "[ . 1 . 2]" 1
1091 1 73 HIS H 1 83 VAL H 5.300 . 5.300 4.914 4.642 5.218 . 0 0 "[ . 1 . 2]" 1
1092 1 73 HIS HA 1 74 VAL H 2.830 . 2.830 2.346 2.278 2.384 . 0 0 "[ . 1 . 2]" 1
1093 1 73 HIS HA 1 74 VAL HB 5.130 . 5.130 4.580 4.399 4.787 . 0 0 "[ . 1 . 2]" 1
1094 1 73 HIS HA 1 74 VAL QG 3.930 . 3.930 3.258 3.060 3.514 . 0 0 "[ . 1 . 2]" 1
1095 1 73 HIS HA 1 82 LEU HA 3.700 . 3.700 2.190 1.894 2.669 . 0 0 "[ . 1 . 2]" 1
1096 1 73 HIS HA 1 82 LEU QD 3.700 . 3.700 2.560 1.861 3.354 . 0 0 "[ . 1 . 2]" 1
1097 1 73 HIS HA 1 83 VAL H 3.550 . 3.550 2.952 2.509 3.339 . 0 0 "[ . 1 . 2]" 1
1098 1 73 HIS HA 1 83 VAL HB 5.500 . 5.500 4.731 3.961 5.374 . 0 0 "[ . 1 . 2]" 1
1099 1 73 HIS HA 1 83 VAL QG 4.210 . 4.210 4.040 3.677 4.218 0.008 11 0 "[ . 1 . 2]" 1
1100 1 73 HIS QB 1 74 VAL H 3.790 . 3.790 2.794 2.652 3.116 . 0 0 "[ . 1 . 2]" 1
1101 1 73 HIS QB 1 74 VAL HA 4.190 . 4.190 4.178 4.135 4.204 0.014 11 0 "[ . 1 . 2]" 1
1102 1 73 HIS QB 1 80 ILE MG 3.480 . 3.480 3.243 2.690 3.488 0.008 19 0 "[ . 1 . 2]" 1
1103 1 74 VAL H 1 74 VAL HB 3.820 . 3.820 2.613 2.476 2.766 . 0 0 "[ . 1 . 2]" 1
1104 1 74 VAL H 1 74 VAL QG 3.400 . 3.400 2.619 2.335 2.823 . 0 0 "[ . 1 . 2]" 1
1105 1 74 VAL H 1 81 ALA H 3.390 . 3.390 3.176 2.921 3.392 0.002 2 0 "[ . 1 . 2]" 1
1106 1 74 VAL H 1 81 ALA MB 4.190 . 4.190 3.837 3.468 4.117 . 0 0 "[ . 1 . 2]" 1
1107 1 74 VAL H 1 82 LEU H 5.060 . 5.060 4.711 4.513 4.914 . 0 0 "[ . 1 . 2]" 1
1108 1 74 VAL H 1 83 VAL H 4.290 . 4.290 4.192 4.040 4.296 0.006 1 0 "[ . 1 . 2]" 1
1109 1 74 VAL H 1 83 VAL QG 4.310 . 4.310 3.934 3.632 4.163 . 0 0 "[ . 1 . 2]" 1
1110 1 74 VAL HA 1 75 GLU H 2.690 . 2.690 2.245 2.220 2.315 . 0 0 "[ . 1 . 2]" 1
1111 1 74 VAL HB 1 75 GLU H 4.280 . 4.280 4.121 3.961 4.242 . 0 0 "[ . 1 . 2]" 1
1112 1 74 VAL HB 1 81 ALA H 4.880 . 4.880 2.971 2.675 3.196 . 0 0 "[ . 1 . 2]" 1
1113 1 74 VAL HB 1 81 ALA MB 4.410 . 4.410 2.586 2.261 2.910 . 0 0 "[ . 1 . 2]" 1
1114 1 74 VAL QG 1 75 GLU H 3.260 . 3.260 2.498 2.041 2.794 . 0 0 "[ . 1 . 2]" 1
1115 1 74 VAL QG 1 76 SER H 4.670 . 4.670 4.281 4.027 4.595 . 0 0 "[ . 1 . 2]" 1
1116 1 74 VAL QG 1 83 VAL H 4.140 . 4.140 3.243 2.868 3.617 . 0 0 "[ . 1 . 2]" 1
1117 1 74 VAL QG 1 83 VAL HB 4.280 . 4.280 3.106 2.871 3.464 . 0 0 "[ . 1 . 2]" 1
1118 1 74 VAL QG 1 83 VAL QG 2.620 . 2.620 1.747 1.638 1.942 . 0 0 "[ . 1 . 2]" 1
1119 1 75 GLU H 1 75 GLU HB3 3.380 . 3.380 3.014 2.807 3.341 . 0 0 "[ . 1 . 2]" 1
1120 1 75 GLU HA 1 75 GLU QG 3.660 . 3.660 2.143 2.083 2.198 . 0 0 "[ . 1 . 2]" 1
1121 1 75 GLU HA 1 76 SER H 2.680 . 2.680 2.203 2.190 2.213 . 0 0 "[ . 1 . 2]" 1
1122 1 75 GLU HA 1 76 SER HA 5.500 . 5.500 4.489 4.484 4.494 . 0 0 "[ . 1 . 2]" 1
1123 1 75 GLU HA 1 80 ILE HA 3.510 . 3.510 2.394 2.047 2.577 . 0 0 "[ . 1 . 2]" 1
1124 1 75 GLU HA 1 80 ILE QG 4.200 . 4.200 2.741 2.473 3.139 . 0 0 "[ . 1 . 2]" 1
1125 1 75 GLU HA 1 80 ILE MG 3.890 . 3.890 2.510 1.999 3.159 . 0 0 "[ . 1 . 2]" 1
1126 1 75 GLU HA 1 81 ALA H 3.610 . 3.610 3.505 3.304 3.627 0.017 6 0 "[ . 1 . 2]" 1
1127 1 75 GLU HA 1 81 ALA MB 5.490 . 5.490 5.043 4.766 5.230 . 0 0 "[ . 1 . 2]" 1
1128 1 75 GLU HB2 1 76 SER H 5.010 . 5.010 4.576 4.463 4.617 . 0 0 "[ . 1 . 2]" 1
1129 1 75 GLU HB3 1 76 SER H 4.010 . 4.010 3.944 3.749 4.022 0.012 17 0 "[ . 1 . 2]" 1
1130 1 75 GLU QG 1 76 SER H 3.930 . 3.930 3.201 2.659 3.652 . 0 0 "[ . 1 . 2]" 1
1131 1 75 GLU QG 1 80 ILE MD 3.550 . 3.550 2.953 2.251 3.483 . 0 0 "[ . 1 . 2]" 1
1132 1 75 GLU QG 1 80 ILE QG 3.690 . 3.690 2.117 1.740 2.587 . 0 0 "[ . 1 . 2]" 1
1133 1 75 GLU QG 1 80 ILE MG 3.490 . 3.490 2.317 1.939 2.851 . 0 0 "[ . 1 . 2]" 1
1134 1 75 GLU HG2 1 76 SER H 4.650 . 4.650 3.353 2.689 3.947 . 0 0 "[ . 1 . 2]" 1
1135 1 75 GLU HG2 1 80 ILE HA 4.550 . 4.550 4.057 3.305 4.526 . 0 0 "[ . 1 . 2]" 1
1136 1 75 GLU HG2 1 80 ILE MD 4.080 . 4.080 3.503 2.892 3.951 . 0 0 "[ . 1 . 2]" 1
1137 1 75 GLU HG3 1 76 SER H 4.650 . 4.650 4.180 3.689 4.649 . 0 0 "[ . 1 . 2]" 1
1138 1 75 GLU HG3 1 80 ILE HA 4.550 . 4.550 3.985 3.520 4.551 0.001 18 0 "[ . 1 . 2]" 1
1139 1 75 GLU HG3 1 80 ILE MD 4.080 . 4.080 3.264 2.292 4.075 . 0 0 "[ . 1 . 2]" 1
1140 1 76 SER H 1 76 SER QB 3.630 . 3.630 2.551 2.158 2.872 . 0 0 "[ . 1 . 2]" 1
1141 1 76 SER H 1 77 LYS H 4.670 . 4.670 4.526 4.490 4.551 . 0 0 "[ . 1 . 2]" 1
1142 1 76 SER H 1 78 LYS H 5.110 . 5.110 4.551 4.335 4.752 . 0 0 "[ . 1 . 2]" 1
1143 1 76 SER H 1 79 LYS H 3.750 . 3.750 3.501 3.255 3.632 . 0 0 "[ . 1 . 2]" 1
1144 1 76 SER H 1 80 ILE HA 3.680 . 3.680 2.564 2.424 2.677 . 0 0 "[ . 1 . 2]" 1
1145 1 76 SER H 1 80 ILE QG 4.080 . 4.080 3.169 2.705 3.478 . 0 0 "[ . 1 . 2]" 1
1146 1 76 SER H 1 80 ILE MG 5.170 . 5.170 3.965 3.543 4.361 . 0 0 "[ . 1 . 2]" 1
1147 1 76 SER H 1 81 ALA H 4.220 . 4.220 4.155 3.999 4.227 0.007 8 0 "[ . 1 . 2]" 1
1148 1 76 SER HA 1 77 LYS H 3.170 . 3.170 2.515 2.414 2.622 . 0 0 "[ . 1 . 2]" 1
1149 1 76 SER HA 1 77 LYS HA 4.590 . 4.590 4.410 4.406 4.414 . 0 0 "[ . 1 . 2]" 1
1150 1 76 SER HA 1 78 LYS H 4.340 . 4.340 4.106 3.977 4.191 . 0 0 "[ . 1 . 2]" 1
1151 1 76 SER HA 1 79 LYS H 4.610 . 4.610 4.572 4.483 4.626 0.016 8 0 "[ . 1 . 2]" 1
1152 1 76 SER QB 1 77 LYS H 3.280 . 3.280 2.659 2.308 3.281 0.001 17 0 "[ . 1 . 2]" 1
1153 1 76 SER QB 1 77 LYS QB 4.950 . 4.950 4.227 3.785 4.910 . 0 0 "[ . 1 . 2]" 1
1154 1 76 SER QB 1 78 LYS H 3.620 . 3.620 2.641 2.203 3.295 . 0 0 "[ . 1 . 2]" 1
1155 1 76 SER QB 1 79 LYS H 3.480 . 3.480 2.614 2.006 3.397 . 0 0 "[ . 1 . 2]" 1
1156 1 76 SER HB2 1 77 LYS H 3.940 . 3.940 3.155 2.523 3.945 0.005 8 0 "[ . 1 . 2]" 1
1157 1 76 SER HB2 1 78 LYS H 4.360 . 4.360 3.043 2.231 4.177 . 0 0 "[ . 1 . 2]" 1
1158 1 76 SER HB2 1 79 LYS H 3.980 . 3.980 3.062 2.017 3.985 0.005 9 0 "[ . 1 . 2]" 1
1159 1 76 SER HB3 1 77 LYS H 3.940 . 3.940 3.265 2.375 3.948 0.008 5 0 "[ . 1 . 2]" 1
1160 1 76 SER HB3 1 78 LYS H 4.360 . 4.360 3.374 2.477 4.203 . 0 0 "[ . 1 . 2]" 1
1161 1 76 SER HB3 1 79 LYS H 3.980 . 3.980 3.446 2.161 3.978 . 0 0 "[ . 1 . 2]" 1
1162 1 77 LYS H 1 77 LYS HB2 3.720 . 3.720 2.349 1.951 3.544 . 0 0 "[ . 1 . 2]" 1
1163 1 77 LYS H 1 77 LYS QB 2.980 . 2.980 2.127 1.928 2.588 . 0 0 "[ . 1 . 2]" 1
1164 1 77 LYS H 1 77 LYS HB3 3.720 . 3.720 3.205 1.947 3.540 . 0 0 "[ . 1 . 2]" 1
1165 1 77 LYS H 1 77 LYS QG 3.380 . 3.380 2.803 1.895 3.430 0.050 14 0 "[ . 1 . 2]" 1
1166 1 77 LYS H 1 78 LYS H 3.260 . 3.260 2.508 2.407 2.651 . 0 0 "[ . 1 . 2]" 1
1167 1 77 LYS H 1 78 LYS QE 5.500 . 5.500 4.960 3.582 5.492 . 0 0 "[ . 1 . 2]" 1
1168 1 77 LYS H 1 78 LYS QG 5.310 . 5.310 4.386 3.484 5.306 . 0 0 "[ . 1 . 2]" 1
1169 1 77 LYS H 1 79 LYS H 4.330 . 4.330 4.075 3.964 4.282 . 0 0 "[ . 1 . 2]" 1
1170 1 77 LYS HA 1 77 LYS HG2 3.980 . 3.980 2.748 1.995 4.024 0.044 14 0 "[ . 1 . 2]" 1
1171 1 77 LYS HA 1 77 LYS QG 3.430 . 3.430 2.419 1.944 3.313 . 0 0 "[ . 1 . 2]" 1
1172 1 77 LYS HA 1 77 LYS HG3 3.980 . 3.980 3.125 1.963 3.733 . 0 0 "[ . 1 . 2]" 1
1173 1 77 LYS QB 1 78 LYS H 4.150 . 4.150 3.168 2.981 3.670 . 0 0 "[ . 1 . 2]" 1
1174 1 78 LYS H 1 78 LYS QB 2.760 . 2.760 2.297 2.063 2.551 . 0 0 "[ . 1 . 2]" 1
1175 1 78 LYS H 1 78 LYS QD 5.230 . 5.230 3.654 2.803 4.350 . 0 0 "[ . 1 . 2]" 1
1176 1 78 LYS H 1 78 LYS QG 3.650 . 3.650 2.882 2.242 3.603 . 0 0 "[ . 1 . 2]" 1
1177 1 78 LYS H 1 79 LYS H 2.730 . 2.730 2.167 2.095 2.258 . 0 0 "[ . 1 . 2]" 1
1178 1 78 LYS HA 1 78 LYS QD 3.800 . 3.800 3.538 2.828 3.811 0.011 19 0 "[ . 1 . 2]" 1
1179 1 78 LYS HA 1 78 LYS QE 4.510 . 4.510 3.719 2.078 4.466 . 0 0 "[ . 1 . 2]" 1
1180 1 78 LYS HA 1 78 LYS QG 3.390 . 3.390 2.260 1.968 2.579 . 0 0 "[ . 1 . 2]" 1
1181 1 78 LYS HA 1 79 LYS H 3.550 . 3.550 3.519 3.498 3.536 . 0 0 "[ . 1 . 2]" 1
1182 1 78 LYS QB 1 79 LYS H 2.940 . 2.940 2.814 2.694 2.934 . 0 0 "[ . 1 . 2]" 1
1183 1 79 LYS HA 1 80 ILE H 2.880 . 2.880 2.713 2.480 2.878 . 0 0 "[ . 1 . 2]" 1
1184 1 79 LYS HA 1 80 ILE HB 5.200 . 5.200 4.801 4.630 5.016 . 0 0 "[ . 1 . 2]" 1
1185 1 80 ILE H 1 80 ILE HB 3.630 . 3.630 2.589 2.405 2.772 . 0 0 "[ . 1 . 2]" 1
1186 1 80 ILE H 1 80 ILE MD 4.070 . 4.070 3.186 1.935 4.009 . 0 0 "[ . 1 . 2]" 1
1187 1 80 ILE H 1 80 ILE HG12 4.440 . 4.440 3.875 3.415 4.369 . 0 0 "[ . 1 . 2]" 1
1188 1 80 ILE H 1 80 ILE QG 3.790 . 3.790 2.706 2.114 3.274 . 0 0 "[ . 1 . 2]" 1
1189 1 80 ILE H 1 80 ILE HG13 4.440 . 4.440 2.767 2.135 3.411 . 0 0 "[ . 1 . 2]" 1
1190 1 80 ILE H 1 80 ILE MG 4.070 . 4.070 3.834 3.755 3.916 . 0 0 "[ . 1 . 2]" 1
1191 1 80 ILE H 1 81 ALA HA 5.260 . 5.260 4.927 4.788 5.088 . 0 0 "[ . 1 . 2]" 1
1192 1 80 ILE H 1 106 PRO QB 5.250 . 5.250 4.851 4.214 5.243 . 0 0 "[ . 1 . 2]" 1
1193 1 80 ILE H 1 106 PRO HD2 4.870 . 4.870 3.842 3.405 4.415 . 0 0 "[ . 1 . 2]" 1
1194 1 80 ILE H 1 106 PRO QD 4.270 . 4.270 3.672 3.312 4.100 . 0 0 "[ . 1 . 2]" 1
1195 1 80 ILE H 1 106 PRO HD3 4.870 . 4.870 4.749 4.384 4.875 0.005 15 0 "[ . 1 . 2]" 1
1196 1 80 ILE H 1 106 PRO QG 4.080 . 4.080 3.350 2.724 3.987 . 0 0 "[ . 1 . 2]" 1
1197 1 80 ILE HA 1 80 ILE MD 4.300 . 4.300 3.713 3.356 3.910 . 0 0 "[ . 1 . 2]" 1
1198 1 80 ILE HA 1 80 ILE MG 3.270 . 3.270 2.323 2.200 2.463 . 0 0 "[ . 1 . 2]" 1
1199 1 80 ILE HA 1 81 ALA H 2.840 . 2.840 2.267 2.233 2.290 . 0 0 "[ . 1 . 2]" 1
1200 1 80 ILE HB 1 80 ILE MD 3.050 . 3.050 2.208 1.886 2.483 . 0 0 "[ . 1 . 2]" 1
1201 1 80 ILE HB 1 81 ALA H 4.090 . 4.090 4.019 3.856 4.097 0.007 15 0 "[ . 1 . 2]" 1
1202 1 80 ILE MD 1 81 ALA H 5.150 . 5.150 5.037 4.820 5.170 0.020 11 0 "[ . 1 . 2]" 1
1203 1 80 ILE MG 1 81 ALA H 3.090 . 3.090 2.328 2.054 2.565 . 0 0 "[ . 1 . 2]" 1
1204 1 80 ILE MG 1 81 ALA HA 4.370 . 4.370 3.859 3.544 4.145 . 0 0 "[ . 1 . 2]" 1
1205 1 81 ALA H 1 81 ALA MB 3.010 . 3.010 2.400 2.213 2.506 . 0 0 "[ . 1 . 2]" 1
1206 1 81 ALA H 1 82 LEU H 4.610 . 4.610 4.497 4.470 4.544 . 0 0 "[ . 1 . 2]" 1
1207 1 81 ALA HA 1 82 LEU H 2.750 . 2.750 2.357 2.333 2.368 . 0 0 "[ . 1 . 2]" 1
1208 1 81 ALA HA 1 82 LEU QB 5.180 . 5.180 3.905 3.845 3.961 . 0 0 "[ . 1 . 2]" 1
1209 1 81 ALA HA 1 103 VAL QG 4.010 . 4.010 3.672 3.544 3.776 . 0 0 "[ . 1 . 2]" 1
1210 1 81 ALA HA 1 104 ASP H 5.340 . 5.340 4.672 4.480 4.873 . 0 0 "[ . 1 . 2]" 1
1211 1 81 ALA HA 1 105 VAL HA 4.570 . 4.570 2.809 2.199 3.475 . 0 0 "[ . 1 . 2]" 1
1212 1 81 ALA HA 1 106 PRO HD2 4.540 . 4.540 3.508 3.201 3.891 . 0 0 "[ . 1 . 2]" 1
1213 1 81 ALA HA 1 106 PRO QD 3.810 . 3.810 2.735 2.371 3.037 . 0 0 "[ . 1 . 2]" 1
1214 1 81 ALA HA 1 106 PRO HD3 4.540 . 4.540 2.875 2.408 3.373 . 0 0 "[ . 1 . 2]" 1
1215 1 81 ALA MB 1 82 LEU H 2.940 . 2.940 2.768 2.669 2.856 . 0 0 "[ . 1 . 2]" 1
1216 1 81 ALA MB 1 82 LEU HA 4.150 . 4.150 4.124 4.054 4.162 0.012 16 0 "[ . 1 . 2]" 1
1217 1 81 ALA MB 1 82 LEU QB 4.650 . 4.650 4.354 4.317 4.397 . 0 0 "[ . 1 . 2]" 1
1218 1 81 ALA MB 1 103 VAL HA 5.170 . 5.170 4.839 4.477 5.026 . 0 0 "[ . 1 . 2]" 1
1219 1 81 ALA MB 1 103 VAL QG 2.490 . 2.490 2.145 1.956 2.356 . 0 0 "[ . 1 . 2]" 1
1220 1 81 ALA MB 1 104 ASP H 4.290 . 4.290 4.039 3.789 4.290 . 0 0 "[ . 1 . 2]" 1
1221 1 81 ALA MB 1 105 VAL H 4.940 . 4.940 4.761 4.318 4.946 0.006 6 0 "[ . 1 . 2]" 1
1222 1 81 ALA MB 1 105 VAL HA 4.680 . 4.680 3.209 2.931 3.397 . 0 0 "[ . 1 . 2]" 1
1223 1 81 ALA MB 1 106 PRO QD 4.010 . 4.010 3.621 3.129 3.945 . 0 0 "[ . 1 . 2]" 1
1224 1 82 LEU H 1 82 LEU HB2 3.240 . 3.240 2.765 2.316 3.199 . 0 0 "[ . 1 . 2]" 1
1225 1 82 LEU H 1 82 LEU QB 2.790 . 2.790 2.316 2.245 2.393 . 0 0 "[ . 1 . 2]" 1
1226 1 82 LEU H 1 82 LEU HB3 3.240 . 3.240 2.640 2.299 3.130 . 0 0 "[ . 1 . 2]" 1
1227 1 82 LEU H 1 82 LEU QD 4.340 . 4.340 3.671 3.375 3.832 . 0 0 "[ . 1 . 2]" 1
1228 1 82 LEU H 1 103 VAL HA 4.690 . 4.690 4.412 4.193 4.549 . 0 0 "[ . 1 . 2]" 1
1229 1 82 LEU H 1 103 VAL HB 5.500 . 5.500 5.480 5.294 5.515 0.015 13 0 "[ . 1 . 2]" 1
1230 1 82 LEU H 1 103 VAL QG 3.440 . 3.440 2.674 2.576 2.807 . 0 0 "[ . 1 . 2]" 1
1231 1 82 LEU H 1 104 ASP H 3.640 . 3.640 2.618 2.458 2.827 . 0 0 "[ . 1 . 2]" 1
1232 1 82 LEU H 1 104 ASP HA 5.440 . 5.440 4.624 4.310 4.889 . 0 0 "[ . 1 . 2]" 1
1233 1 82 LEU H 1 104 ASP QB 3.750 . 3.750 3.188 2.605 3.493 . 0 0 "[ . 1 . 2]" 1
1234 1 82 LEU H 1 105 VAL HA 4.730 . 4.730 3.873 3.358 4.379 . 0 0 "[ . 1 . 2]" 1
1235 1 82 LEU H 1 106 PRO QD 4.580 . 4.580 4.076 3.659 4.457 . 0 0 "[ . 1 . 2]" 1
1236 1 82 LEU HA 1 82 LEU QD 3.120 . 3.120 2.206 1.700 3.054 . 0 0 "[ . 1 . 2]" 1
1237 1 82 LEU HA 1 83 VAL H 2.870 . 2.870 2.238 2.204 2.265 . 0 0 "[ . 1 . 2]" 1
1238 1 82 LEU HA 1 83 VAL HB 4.950 . 4.950 4.560 4.440 4.718 . 0 0 "[ . 1 . 2]" 1
1239 1 82 LEU HA 1 83 VAL QG 4.060 . 4.060 3.371 3.199 3.589 . 0 0 "[ . 1 . 2]" 1
1240 1 82 LEU HA 1 103 VAL QG 4.060 . 4.060 3.903 3.777 4.013 . 0 0 "[ . 1 . 2]" 1
1241 1 82 LEU QB 1 82 LEU QD 2.670 . 2.670 1.920 1.758 2.081 . 0 0 "[ . 1 . 2]" 1
1242 1 82 LEU QB 1 83 VAL H 3.840 . 3.840 3.721 3.457 3.860 0.020 15 0 "[ . 1 . 2]" 1
1243 1 82 LEU QB 1 104 ASP H 4.590 . 4.590 2.837 2.586 3.139 . 0 0 "[ . 1 . 2]" 1
1244 1 82 LEU QB 1 104 ASP QB 4.000 . 4.000 2.269 1.917 2.671 . 0 0 "[ . 1 . 2]" 1
1245 1 82 LEU HB2 1 83 VAL H 4.500 . 4.500 4.364 4.159 4.529 0.029 17 0 "[ . 1 . 2]" 1
1246 1 82 LEU HB2 1 104 ASP H 5.450 . 5.450 4.151 3.590 4.587 . 0 0 "[ . 1 . 2]" 1
1247 1 82 LEU HB3 1 83 VAL H 4.500 . 4.500 4.079 3.597 4.433 . 0 0 "[ . 1 . 2]" 1
1248 1 82 LEU HB3 1 104 ASP H 5.450 . 5.450 2.900 2.623 3.362 . 0 0 "[ . 1 . 2]" 1
1249 1 82 LEU QD 1 83 VAL H 3.280 . 3.280 2.120 1.807 2.971 . 0 0 "[ . 1 . 2]" 1
1250 1 82 LEU QD 1 83 VAL HA 4.060 . 4.060 3.552 2.869 4.061 0.001 16 0 "[ . 1 . 2]" 1
1251 1 83 VAL H 1 83 VAL HB 3.210 . 3.210 2.478 2.373 2.552 . 0 0 "[ . 1 . 2]" 1
1252 1 83 VAL H 1 83 VAL MG1 4.040 . 4.040 3.790 3.742 3.833 . 0 0 "[ . 1 . 2]" 1
1253 1 83 VAL H 1 83 VAL QG 3.270 . 3.270 2.455 2.186 2.644 . 0 0 "[ . 1 . 2]" 1
1254 1 83 VAL H 1 83 VAL MG2 4.040 . 4.040 2.489 2.199 2.703 . 0 0 "[ . 1 . 2]" 1
1255 1 83 VAL H 1 84 HIS H 4.590 . 4.590 4.449 4.368 4.535 . 0 0 "[ . 1 . 2]" 1
1256 1 83 VAL H 1 103 VAL QG 3.910 . 3.910 3.725 3.450 3.861 . 0 0 "[ . 1 . 2]" 1
1257 1 83 VAL HA 1 83 VAL MG1 3.410 . 3.410 2.326 2.182 2.446 . 0 0 "[ . 1 . 2]" 1
1258 1 83 VAL HA 1 83 VAL MG2 3.410 . 3.410 2.383 2.256 2.463 . 0 0 "[ . 1 . 2]" 1
1259 1 83 VAL HA 1 84 HIS H 2.750 . 2.750 2.201 2.185 2.222 . 0 0 "[ . 1 . 2]" 1
1260 1 83 VAL HA 1 102 TYR H 5.170 . 5.170 4.738 4.548 4.867 . 0 0 "[ . 1 . 2]" 1
1261 1 83 VAL HA 1 103 VAL H 4.980 . 4.980 4.794 4.616 4.957 . 0 0 "[ . 1 . 2]" 1
1262 1 83 VAL HA 1 103 VAL HA 3.690 . 3.690 2.233 2.048 2.437 . 0 0 "[ . 1 . 2]" 1
1263 1 83 VAL HA 1 103 VAL QG 4.030 . 4.030 2.407 1.832 2.951 . 0 0 "[ . 1 . 2]" 1
1264 1 83 VAL HA 1 104 ASP H 4.010 . 4.010 3.748 3.532 3.972 . 0 0 "[ . 1 . 2]" 1
1265 1 83 VAL HA 1 104 ASP QB 5.500 . 5.500 5.137 4.806 5.421 . 0 0 "[ . 1 . 2]" 1
1266 1 83 VAL HB 1 103 VAL QG 4.650 . 4.650 3.922 3.416 4.376 . 0 0 "[ . 1 . 2]" 1
1267 1 83 VAL QG 1 84 HIS H 2.920 . 2.920 2.569 2.329 2.721 . 0 0 "[ . 1 . 2]" 1
1268 1 83 VAL QG 1 84 HIS QB 4.400 . 4.400 4.155 4.042 4.354 . 0 0 "[ . 1 . 2]" 1
1269 1 83 VAL QG 1 85 LEU H 4.430 . 4.430 4.203 3.900 4.434 0.004 10 0 "[ . 1 . 2]" 1
1270 1 83 VAL QG 1 85 LEU HA 4.950 . 4.950 4.729 4.534 4.943 . 0 0 "[ . 1 . 2]" 1
1271 1 83 VAL QG 1 85 LEU HB3 4.830 . 4.830 3.325 3.139 3.488 . 0 0 "[ . 1 . 2]" 1
1272 1 83 VAL QG 1 85 LEU QD 3.700 . 3.700 3.107 2.800 3.641 . 0 0 "[ . 1 . 2]" 1
1273 1 83 VAL QG 1 101 MET HA 5.440 . 5.440 4.497 4.327 4.749 . 0 0 "[ . 1 . 2]" 1
1274 1 83 VAL QG 1 101 MET ME 3.100 . 3.100 1.840 1.665 2.101 . 0 0 "[ . 1 . 2]" 1
1275 1 83 VAL QG 1 101 MET QG 3.800 . 3.800 3.339 2.807 3.789 . 0 0 "[ . 1 . 2]" 1
1276 1 83 VAL QG 1 102 TYR H 3.950 . 3.950 3.891 3.722 3.960 0.010 11 0 "[ . 1 . 2]" 1
1277 1 83 VAL QG 1 102 TYR HA 5.440 . 5.440 4.734 4.524 4.942 . 0 0 "[ . 1 . 2]" 1
1278 1 83 VAL QG 1 103 VAL HA 3.930 . 3.930 3.154 2.807 3.438 . 0 0 "[ . 1 . 2]" 1
1279 1 83 VAL QG 1 103 VAL QG 3.710 . 3.710 1.780 1.484 2.173 . 0 0 "[ . 1 . 2]" 1
1280 1 83 VAL QG 1 104 ASP H 5.440 . 5.440 4.083 3.785 4.368 . 0 0 "[ . 1 . 2]" 1
1281 1 83 VAL MG1 1 84 HIS H 4.130 . 4.130 2.598 2.341 2.770 . 0 0 "[ . 1 . 2]" 1
1282 1 83 VAL MG1 1 103 VAL HA 4.860 . 4.860 3.769 3.531 4.029 . 0 0 "[ . 1 . 2]" 1
1283 1 83 VAL MG2 1 84 HIS H 4.130 . 4.130 4.085 3.975 4.142 0.012 11 0 "[ . 1 . 2]" 1
1284 1 83 VAL MG2 1 103 VAL HA 4.860 . 4.860 3.402 2.946 3.895 . 0 0 "[ . 1 . 2]" 1
1285 1 84 HIS H 1 84 HIS QB 3.480 . 3.480 2.424 2.291 2.522 . 0 0 "[ . 1 . 2]" 1
1286 1 84 HIS H 1 85 LEU H 4.460 . 4.460 4.329 4.208 4.416 . 0 0 "[ . 1 . 2]" 1
1287 1 84 HIS H 1 101 MET HA 5.500 . 5.500 4.613 4.471 4.829 . 0 0 "[ . 1 . 2]" 1
1288 1 84 HIS H 1 101 MET ME 4.230 . 4.230 4.029 3.696 4.241 0.011 4 0 "[ . 1 . 2]" 1
1289 1 84 HIS H 1 102 TYR H 3.650 . 3.650 3.106 2.934 3.315 . 0 0 "[ . 1 . 2]" 1
1290 1 84 HIS H 1 102 TYR HA 5.500 . 5.500 4.965 4.657 5.192 . 0 0 "[ . 1 . 2]" 1
1291 1 84 HIS H 1 102 TYR QD 4.670 . 4.670 4.125 3.808 4.385 . 0 0 "[ . 1 . 2]" 1
1292 1 84 HIS H 1 102 TYR QE 5.000 . 5.000 4.311 3.930 4.550 . 0 0 "[ . 1 . 2]" 1
1293 1 84 HIS H 1 103 VAL HA 3.870 . 3.870 3.205 2.955 3.444 . 0 0 "[ . 1 . 2]" 1
1294 1 84 HIS H 1 104 ASP H 5.030 . 5.030 4.963 4.845 5.038 0.008 10 0 "[ . 1 . 2]" 1
1295 1 84 HIS HA 1 85 LEU H 3.070 . 3.070 2.240 2.225 2.277 . 0 0 "[ . 1 . 2]" 1
1296 1 84 HIS QB 1 85 LEU H 3.810 . 3.810 3.692 3.400 3.833 0.023 8 0 "[ . 1 . 2]" 1
1297 1 84 HIS QB 1 85 LEU HA 4.680 . 4.680 4.330 4.088 4.683 0.003 8 0 "[ . 1 . 2]" 1
1298 1 84 HIS QB 1 102 TYR H 4.360 . 4.360 3.538 3.051 3.806 . 0 0 "[ . 1 . 2]" 1
1299 1 84 HIS QB 1 102 TYR QD 4.520 . 4.520 3.439 3.016 3.832 . 0 0 "[ . 1 . 2]" 1
1300 1 85 LEU H 1 85 LEU HB3 4.140 . 4.140 2.967 2.781 3.138 . 0 0 "[ . 1 . 2]" 1
1301 1 85 LEU H 1 85 LEU MD1 4.060 . 4.060 3.588 3.376 3.814 . 0 0 "[ . 1 . 2]" 1
1302 1 85 LEU H 1 85 LEU QD 3.490 . 3.490 3.056 2.906 3.296 . 0 0 "[ . 1 . 2]" 1
1303 1 85 LEU H 1 85 LEU MD2 4.060 . 4.060 3.329 3.051 3.605 . 0 0 "[ . 1 . 2]" 1
1304 1 85 LEU H 1 85 LEU HG 3.140 . 3.140 2.100 1.917 2.481 . 0 0 "[ . 1 . 2]" 1
1305 1 85 LEU H 1 101 MET HA 5.070 . 5.070 4.732 4.433 4.910 . 0 0 "[ . 1 . 2]" 1
1306 1 85 LEU HA 1 85 LEU MD1 4.680 . 4.680 3.477 3.176 3.620 . 0 0 "[ . 1 . 2]" 1
1307 1 85 LEU HA 1 85 LEU QD 3.760 . 3.760 3.291 3.077 3.373 . 0 0 "[ . 1 . 2]" 1
1308 1 85 LEU HA 1 85 LEU MD2 4.680 . 4.680 4.078 3.995 4.124 . 0 0 "[ . 1 . 2]" 1
1309 1 85 LEU HA 1 86 GLU H 2.900 . 2.900 2.301 2.271 2.326 . 0 0 "[ . 1 . 2]" 1
1310 1 85 LEU HA 1 101 MET H 5.070 . 5.070 4.595 4.369 4.909 . 0 0 "[ . 1 . 2]" 1
1311 1 85 LEU HA 1 101 MET HA 3.590 . 3.590 2.199 1.886 2.442 . 0 0 "[ . 1 . 2]" 1
1312 1 85 LEU HA 1 101 MET ME 4.570 . 4.570 3.931 3.342 4.384 . 0 0 "[ . 1 . 2]" 1
1313 1 85 LEU HA 1 101 MET QG 4.560 . 4.560 3.253 2.044 4.554 . 0 0 "[ . 1 . 2]" 1
1314 1 85 LEU HA 1 102 TYR H 3.920 . 3.920 3.652 3.449 3.878 . 0 0 "[ . 1 . 2]" 1
1315 1 85 LEU HB2 1 86 GLU H 3.010 . 3.010 2.961 2.893 3.014 0.004 19 0 "[ . 1 . 2]" 1
1316 1 85 LEU HB2 1 101 MET HA 4.220 . 4.220 3.525 3.059 4.091 . 0 0 "[ . 1 . 2]" 1
1317 1 85 LEU HB2 1 101 MET ME 3.410 . 3.410 3.083 2.631 3.381 . 0 0 "[ . 1 . 2]" 1
1318 1 85 LEU HB2 1 101 MET QG 4.250 . 4.250 2.989 1.844 3.949 . 0 0 "[ . 1 . 2]" 1
1319 1 85 LEU HB3 1 98 PHE QD 5.380 . 5.380 4.920 4.243 5.319 . 0 0 "[ . 1 . 2]" 1
1320 1 85 LEU HB3 1 101 MET HA 4.860 . 4.860 3.420 2.969 4.218 . 0 0 "[ . 1 . 2]" 1
1321 1 85 LEU HB3 1 101 MET QG 4.390 . 4.390 2.687 1.845 4.072 . 0 0 "[ . 1 . 2]" 1
1322 1 85 LEU QD 1 86 GLU H 3.710 . 3.710 2.948 2.300 3.195 . 0 0 "[ . 1 . 2]" 1
1323 1 85 LEU QD 1 87 ALA H 4.060 . 4.060 3.323 2.904 3.602 . 0 0 "[ . 1 . 2]" 1
1324 1 85 LEU QD 1 98 PHE HB2 4.920 . 4.920 4.715 4.347 4.936 0.016 10 0 "[ . 1 . 2]" 1
1325 1 85 LEU QD 1 98 PHE QD 3.180 . 3.180 2.085 1.814 2.418 . 0 0 "[ . 1 . 2]" 1
1326 1 85 LEU QD 1 100 ASN H 4.870 . 4.870 4.622 4.086 4.869 . 0 0 "[ . 1 . 2]" 1
1327 1 85 LEU QD 1 101 MET HA 5.440 . 5.440 4.412 4.107 4.775 . 0 0 "[ . 1 . 2]" 1
1328 1 85 LEU QD 1 101 MET QG 4.160 . 4.160 3.534 2.868 4.169 0.009 18 0 "[ . 1 . 2]" 1
1329 1 85 LEU MD1 1 86 GLU H 4.990 . 4.990 2.975 2.305 3.233 . 0 0 "[ . 1 . 2]" 1
1330 1 85 LEU MD1 1 98 PHE QD 4.310 . 4.310 2.095 1.820 2.434 . 0 0 "[ . 1 . 2]" 1
1331 1 85 LEU MD2 1 86 GLU H 4.990 . 4.990 4.875 4.658 4.992 0.002 9 0 "[ . 1 . 2]" 1
1332 1 85 LEU MD2 1 98 PHE QD 4.310 . 4.310 3.835 3.089 4.271 . 0 0 "[ . 1 . 2]" 1
1333 1 85 LEU HG 1 86 GLU H 4.620 . 4.620 4.347 4.127 4.543 . 0 0 "[ . 1 . 2]" 1
1334 1 86 GLU H 1 86 GLU HB2 3.820 . 3.820 2.485 2.285 2.763 . 0 0 "[ . 1 . 2]" 1
1335 1 86 GLU H 1 86 GLU QB 3.190 . 3.190 2.381 2.250 2.513 . 0 0 "[ . 1 . 2]" 1
1336 1 86 GLU H 1 86 GLU HB3 3.820 . 3.820 3.161 2.808 3.448 . 0 0 "[ . 1 . 2]" 1
1337 1 86 GLU H 1 87 ALA H 4.470 . 4.470 4.383 4.211 4.449 . 0 0 "[ . 1 . 2]" 1
1338 1 86 GLU H 1 98 PHE HB3 4.620 . 4.620 4.274 3.891 4.618 . 0 0 "[ . 1 . 2]" 1
1339 1 86 GLU H 1 98 PHE QD 4.510 . 4.510 4.172 3.619 4.509 . 0 0 "[ . 1 . 2]" 1
1340 1 86 GLU H 1 100 ASN H 3.700 . 3.700 2.817 2.660 3.181 . 0 0 "[ . 1 . 2]" 1
1341 1 86 GLU H 1 100 ASN HB2 4.370 . 4.370 3.140 2.474 3.838 . 0 0 "[ . 1 . 2]" 1
1342 1 86 GLU H 1 101 MET HA 4.190 . 4.190 3.767 3.557 4.050 . 0 0 "[ . 1 . 2]" 1
1343 1 86 GLU HA 1 87 ALA H 3.060 . 3.060 2.245 2.221 2.265 . 0 0 "[ . 1 . 2]" 1
1344 1 86 GLU HA 1 87 ALA MB 4.210 . 4.210 3.862 3.775 3.991 . 0 0 "[ . 1 . 2]" 1
1345 1 86 GLU HA 1 98 PHE QD 5.500 . 5.500 4.875 4.473 5.342 . 0 0 "[ . 1 . 2]" 1
1346 1 86 GLU HA 1 100 ASN HB2 5.500 . 5.500 4.803 4.432 5.156 . 0 0 "[ . 1 . 2]" 1
1347 1 86 GLU QB 1 87 ALA H 3.980 . 3.980 3.548 3.307 3.798 . 0 0 "[ . 1 . 2]" 1
1348 1 86 GLU QB 1 87 ALA HA 5.340 . 5.340 4.238 4.112 4.334 . 0 0 "[ . 1 . 2]" 1
1349 1 86 GLU QB 1 100 ASN H 3.930 . 3.930 3.087 2.626 3.399 . 0 0 "[ . 1 . 2]" 1
1350 1 86 GLU QB 1 100 ASN HB2 3.160 . 3.160 2.101 1.795 2.414 . 0 0 "[ . 1 . 2]" 1
1351 1 86 GLU QB 1 100 ASN HB3 4.310 . 4.310 3.407 2.837 3.789 . 0 0 "[ . 1 . 2]" 1
1352 1 86 GLU HB2 1 100 ASN H 4.620 . 4.620 3.699 3.068 4.286 . 0 0 "[ . 1 . 2]" 1
1353 1 86 GLU HB3 1 100 ASN H 4.620 . 4.620 3.417 2.730 3.964 . 0 0 "[ . 1 . 2]" 1
1354 1 86 GLU QG 1 87 ALA H 3.990 . 3.990 3.178 2.617 3.574 . 0 0 "[ . 1 . 2]" 1
1355 1 86 GLU QG 1 87 ALA HA 5.500 . 5.500 5.139 4.533 5.502 0.002 8 0 "[ . 1 . 2]" 1
1356 1 86 GLU QG 1 100 ASN HB3 5.500 . 5.500 5.216 4.600 5.508 0.008 13 0 "[ . 1 . 2]" 1
1357 1 87 ALA H 1 87 ALA MB 3.430 . 3.430 2.379 2.255 2.483 . 0 0 "[ . 1 . 2]" 1
1358 1 87 ALA H 1 88 LYS H 4.740 . 4.740 4.495 4.384 4.559 . 0 0 "[ . 1 . 2]" 1
1359 1 87 ALA HA 1 88 LYS H 2.880 . 2.880 2.291 2.221 2.334 . 0 0 "[ . 1 . 2]" 1
1360 1 87 ALA HA 1 88 LYS QB 4.640 . 4.640 4.184 3.884 4.415 . 0 0 "[ . 1 . 2]" 1
1361 1 87 ALA HA 1 98 PHE HA 3.560 . 3.560 2.057 1.851 2.373 . 0 0 "[ . 1 . 2]" 1
1362 1 87 ALA HA 1 98 PHE HB2 5.500 . 5.500 5.037 4.788 5.345 . 0 0 "[ . 1 . 2]" 1
1363 1 87 ALA HA 1 98 PHE QD 4.800 . 4.800 3.449 2.697 4.200 . 0 0 "[ . 1 . 2]" 1
1364 1 87 ALA HA 1 99 ILE H 3.430 . 3.430 2.744 2.517 2.928 . 0 0 "[ . 1 . 2]" 1
1365 1 87 ALA HA 1 99 ILE HA 5.500 . 5.500 5.228 4.919 5.499 . 0 0 "[ . 1 . 2]" 1
1366 1 87 ALA HA 1 99 ILE HB 5.500 . 5.500 5.444 5.061 5.512 0.012 17 0 "[ . 1 . 2]" 1
1367 1 87 ALA HA 1 99 ILE MD 4.350 . 4.350 3.732 2.874 4.128 . 0 0 "[ . 1 . 2]" 1
1368 1 87 ALA HA 1 99 ILE HG12 5.090 . 5.090 2.564 2.053 3.054 . 0 0 "[ . 1 . 2]" 1
1369 1 87 ALA HA 1 99 ILE QG 4.430 . 4.430 2.519 2.039 2.818 . 0 0 "[ . 1 . 2]" 1
1370 1 87 ALA HA 1 99 ILE HG13 5.090 . 5.090 3.843 3.200 4.266 . 0 0 "[ . 1 . 2]" 1
1371 1 87 ALA HA 1 100 ASN H 4.870 . 4.870 4.417 4.180 4.601 . 0 0 "[ . 1 . 2]" 1
1372 1 87 ALA MB 1 88 LYS H 3.200 . 3.200 2.899 2.765 3.159 . 0 0 "[ . 1 . 2]" 1
1373 1 87 ALA MB 1 96 PRO QB 3.760 . 3.760 2.309 1.747 2.867 . 0 0 "[ . 1 . 2]" 1
1374 1 87 ALA MB 1 97 ASP H 4.020 . 4.020 3.581 3.224 3.991 . 0 0 "[ . 1 . 2]" 1
1375 1 87 ALA MB 1 98 PHE HA 3.530 . 3.530 2.632 1.926 3.111 . 0 0 "[ . 1 . 2]" 1
1376 1 87 ALA MB 1 98 PHE QD 3.550 . 3.550 2.358 1.775 3.124 . 0 0 "[ . 1 . 2]" 1
1377 1 88 LYS H 1 88 LYS HB2 3.910 . 3.910 3.536 3.090 3.767 . 0 0 "[ . 1 . 2]" 1
1378 1 88 LYS H 1 88 LYS QB 3.170 . 3.170 2.799 2.253 3.113 . 0 0 "[ . 1 . 2]" 1
1379 1 88 LYS H 1 88 LYS HB3 3.910 . 3.910 2.944 2.314 3.343 . 0 0 "[ . 1 . 2]" 1
1380 1 88 LYS H 1 88 LYS QE 4.630 . 4.630 4.115 3.419 4.648 0.018 17 0 "[ . 1 . 2]" 1
1381 1 88 LYS H 1 88 LYS QG 4.290 . 4.290 2.654 1.822 3.983 . 0 0 "[ . 1 . 2]" 1
1382 1 88 LYS H 1 89 GLU H 4.730 . 4.730 4.443 4.385 4.530 . 0 0 "[ . 1 . 2]" 1
1383 1 88 LYS H 1 96 PRO HA 4.870 . 4.870 4.445 3.817 4.875 0.005 13 0 "[ . 1 . 2]" 1
1384 1 88 LYS H 1 96 PRO QB 4.450 . 4.450 3.521 2.845 4.179 . 0 0 "[ . 1 . 2]" 1
1385 1 88 LYS H 1 97 ASP H 3.490 . 3.490 2.723 2.335 3.334 . 0 0 "[ . 1 . 2]" 1
1386 1 88 LYS H 1 97 ASP HB2 5.320 . 5.320 4.021 3.006 5.139 . 0 0 "[ . 1 . 2]" 1
1387 1 88 LYS H 1 97 ASP QB 4.450 . 4.450 3.726 2.914 4.473 0.023 6 0 "[ . 1 . 2]" 1
1388 1 88 LYS H 1 97 ASP HB3 5.320 . 5.320 4.566 3.622 5.149 . 0 0 "[ . 1 . 2]" 1
1389 1 88 LYS H 1 98 PHE HA 4.110 . 4.110 3.813 3.503 4.120 0.010 18 0 "[ . 1 . 2]" 1
1390 1 88 LYS H 1 98 PHE QD 5.500 . 5.500 5.233 4.618 5.513 0.013 14 0 "[ . 1 . 2]" 1
1391 1 88 LYS H 1 99 ILE H 4.580 . 4.580 4.305 3.839 4.574 . 0 0 "[ . 1 . 2]" 1
1392 1 88 LYS H 1 99 ILE MD 4.550 . 4.550 3.629 2.371 3.967 . 0 0 "[ . 1 . 2]" 1
1393 1 88 LYS HA 1 89 GLU H 2.850 . 2.850 2.280 2.253 2.309 . 0 0 "[ . 1 . 2]" 1
1394 1 88 LYS HA 1 89 GLU QB 4.430 . 4.430 4.250 4.132 4.374 . 0 0 "[ . 1 . 2]" 1
1395 1 88 LYS QB 1 88 LYS QE 3.590 . 3.590 2.243 1.826 3.469 . 0 0 "[ . 1 . 2]" 1
1396 1 88 LYS QB 1 89 GLU H 4.000 . 4.000 3.254 2.972 3.731 . 0 0 "[ . 1 . 2]" 1
1397 1 88 LYS QB 1 99 ILE MD 3.180 . 3.180 2.371 1.790 3.185 0.005 15 0 "[ . 1 . 2]" 1
1398 1 88 LYS QE 1 88 LYS QG 3.420 . 3.420 2.203 1.905 2.415 . 0 0 "[ . 1 . 2]" 1
1399 1 88 LYS QE 1 89 GLU H 4.760 . 4.760 4.401 3.829 4.754 . 0 0 "[ . 1 . 2]" 1
1400 1 88 LYS QE 1 90 SER H 5.170 . 5.170 4.687 3.711 5.141 . 0 0 "[ . 1 . 2]" 1
1401 1 88 LYS QE 1 97 ASP H 5.500 . 5.500 4.485 3.224 5.443 . 0 0 "[ . 1 . 2]" 1
1402 1 88 LYS QE 1 99 ILE MD 3.990 . 3.990 3.797 2.900 3.997 0.007 5 0 "[ . 1 . 2]" 1
1403 1 88 LYS QE 1 99 ILE MG 4.370 . 4.370 3.238 2.044 4.371 0.001 15 0 "[ . 1 . 2]" 1
1404 1 88 LYS QG 1 89 GLU H 4.170 . 4.170 3.570 2.358 4.190 0.020 6 0 "[ . 1 . 2]" 1
1405 1 88 LYS QG 1 97 ASP H 4.420 . 4.420 3.605 2.630 4.430 0.010 3 0 "[ . 1 . 2]" 1
1406 1 89 GLU H 1 89 GLU QB 2.850 . 2.850 2.527 2.334 2.716 . 0 0 "[ . 1 . 2]" 1
1407 1 89 GLU H 1 89 GLU QG 3.510 . 3.510 2.011 1.846 2.300 . 0 0 "[ . 1 . 2]" 1
1408 1 89 GLU H 1 90 SER H 5.360 . 5.360 4.582 4.497 4.622 . 0 0 "[ . 1 . 2]" 1
1409 1 89 GLU HA 1 90 SER H 2.570 . 2.570 2.234 2.204 2.256 . 0 0 "[ . 1 . 2]" 1
1410 1 89 GLU HA 1 97 ASP H 4.210 . 4.210 3.363 2.760 3.922 . 0 0 "[ . 1 . 2]" 1
1411 1 89 GLU QB 1 90 SER H 3.400 . 3.400 3.193 3.090 3.349 . 0 0 "[ . 1 . 2]" 1
1412 1 89 GLU QB 1 97 ASP H 5.500 . 5.500 4.805 4.042 5.496 . 0 0 "[ . 1 . 2]" 1
1413 1 90 SER H 1 90 SER QB 3.160 . 3.160 2.608 2.111 3.098 . 0 0 "[ . 1 . 2]" 1
1414 1 90 SER H 1 91 LYS H 5.410 . 5.410 4.496 4.333 4.652 . 0 0 "[ . 1 . 2]" 1
1415 1 90 SER QB 1 91 LYS QB 5.340 . 5.340 3.569 2.920 4.527 . 0 0 "[ . 1 . 2]" 1
1416 1 91 LYS HA 1 91 LYS QD 3.940 . 3.940 2.851 1.870 3.900 . 0 0 "[ . 1 . 2]" 1
1417 1 91 LYS HA 1 91 LYS QG 3.400 . 3.400 2.452 1.929 3.372 . 0 0 "[ . 1 . 2]" 1
1418 1 91 LYS QB 1 92 GLN H 3.960 . 3.960 2.618 1.735 3.920 . 0 0 "[ . 1 . 2]" 1
1419 1 91 LYS HB2 1 92 GLN H 4.610 . 4.610 3.727 3.087 4.551 . 0 0 "[ . 1 . 2]" 1
1420 1 91 LYS HB3 1 92 GLN H 4.610 . 4.610 2.819 1.740 4.312 . 0 0 "[ . 1 . 2]" 1
1421 1 91 LYS QD 1 92 GLN QB 3.360 . 3.360 2.758 1.744 3.372 0.012 12 0 "[ . 1 . 2]" 1
1422 1 91 LYS QE 1 91 LYS QG 3.500 . 3.500 2.135 1.901 2.374 . 0 0 "[ . 1 . 2]" 1
1423 1 91 LYS QE 1 92 GLN HA 5.080 . 5.080 4.647 3.154 5.091 0.011 3 0 "[ . 1 . 2]" 1
1424 1 91 LYS QE 1 92 GLN QB 3.830 . 3.830 2.770 2.096 3.806 . 0 0 "[ . 1 . 2]" 1
1425 1 91 LYS QE 1 92 GLN QG 4.820 . 4.820 4.113 2.860 4.826 0.006 16 0 "[ . 1 . 2]" 1
1426 1 92 GLN H 1 92 GLN QB 3.430 . 3.430 2.549 1.943 2.959 . 0 0 "[ . 1 . 2]" 1
1427 1 92 GLN H 1 92 GLN QG 4.420 . 4.420 3.786 2.238 4.329 . 0 0 "[ . 1 . 2]" 1
1428 1 92 GLN HA 1 92 GLN QG 3.390 . 3.390 2.420 1.961 3.305 . 0 0 "[ . 1 . 2]" 1
1429 1 92 GLN HA 1 93 ASN H 3.470 . 3.470 2.654 2.210 3.090 . 0 0 "[ . 1 . 2]" 1
1430 1 92 GLN HA 1 93 ASN QB 5.400 . 5.400 4.406 3.994 5.032 . 0 0 "[ . 1 . 2]" 1
1431 1 92 GLN HA 1 94 TYR H 4.630 . 4.630 4.114 3.101 4.647 0.017 8 0 "[ . 1 . 2]" 1
1432 1 92 GLN QB 1 93 ASN H 4.090 . 4.090 3.042 1.864 4.083 . 0 0 "[ . 1 . 2]" 1
1433 1 92 GLN QB 1 94 TYR H 5.340 . 5.340 4.071 2.376 5.346 0.006 12 0 "[ . 1 . 2]" 1
1434 1 92 GLN QG 1 93 ASN HA 4.850 . 4.850 4.212 3.702 4.854 0.004 20 0 "[ . 1 . 2]" 1
1435 1 92 GLN QG 1 93 ASN QD 5.150 . 5.150 4.420 3.076 5.154 0.004 15 0 "[ . 1 . 2]" 1
1436 1 92 GLN QG 1 94 TYR H 5.040 . 5.040 3.753 1.865 4.963 . 0 0 "[ . 1 . 2]" 1
1437 1 93 ASN H 1 94 TYR H 3.820 . 3.820 2.864 1.867 3.763 . 0 0 "[ . 1 . 2]" 1
1438 1 93 ASN HA 1 94 TYR H 3.380 . 3.380 2.908 2.451 3.415 0.035 5 0 "[ . 1 . 2]" 1
1439 1 93 ASN QB 1 93 ASN QD 3.100 . 3.100 2.390 2.177 2.725 . 0 0 "[ . 1 . 2]" 1
1440 1 93 ASN QB 1 93 ASN HD22 3.590 . 3.590 3.380 3.275 3.509 . 0 0 "[ . 1 . 2]" 1
1441 1 93 ASN QB 1 94 TYR H 4.040 . 4.040 3.848 3.060 4.053 0.013 10 0 "[ . 1 . 2]" 1
1442 1 93 ASN QD 1 94 TYR H 5.340 . 5.340 4.709 2.733 5.322 . 0 0 "[ . 1 . 2]" 1
1443 1 94 TYR H 1 94 TYR QB 3.080 . 3.080 2.377 1.936 3.066 . 0 0 "[ . 1 . 2]" 1
1444 1 94 TYR HA 1 94 TYR QD 3.900 . 3.900 2.401 1.822 2.957 . 0 0 "[ . 1 . 2]" 1
1445 1 94 TYR HA 1 95 GLN H 3.290 . 3.290 2.812 2.346 3.419 0.129 17 0 "[ . 1 . 2]" 1
1446 1 94 TYR HA 1 95 GLN QB 5.340 . 5.340 4.746 4.249 5.312 . 0 0 "[ . 1 . 2]" 1
1447 1 94 TYR HA 1 95 GLN QG 5.180 . 5.180 4.097 3.076 5.018 . 0 0 "[ . 1 . 2]" 1
1448 1 94 TYR QB 1 95 GLN H 3.200 . 3.200 2.355 1.743 3.198 . 0 0 "[ . 1 . 2]" 1
1449 1 94 TYR QD 1 95 GLN H 4.090 . 4.090 2.534 1.865 4.125 0.035 17 0 "[ . 1 . 2]" 1
1450 1 94 TYR QD 1 95 GLN QG 4.720 . 4.720 3.452 2.098 4.407 . 0 0 "[ . 1 . 2]" 1
1451 1 95 GLN H 1 95 GLN QB 3.100 . 3.100 2.348 2.030 2.637 . 0 0 "[ . 1 . 2]" 1
1452 1 95 GLN H 1 95 GLN QE 4.210 . 4.210 3.699 2.604 4.213 0.003 2 0 "[ . 1 . 2]" 1
1453 1 95 GLN H 1 95 GLN QG 3.920 . 3.920 2.256 1.831 3.336 . 0 0 "[ . 1 . 2]" 1
1454 1 95 GLN H 1 96 PRO QD 4.820 . 4.820 4.331 4.062 4.402 . 0 0 "[ . 1 . 2]" 1
1455 1 95 GLN HA 1 95 GLN QG 3.650 . 3.650 2.743 1.992 3.343 . 0 0 "[ . 1 . 2]" 1
1456 1 95 GLN HA 1 96 PRO HD2 3.180 . 3.180 2.426 2.110 2.621 . 0 0 "[ . 1 . 2]" 1
1457 1 95 GLN HA 1 96 PRO QD 2.760 . 2.760 1.975 1.821 2.102 . 0 0 "[ . 1 . 2]" 1
1458 1 95 GLN HA 1 96 PRO HD3 3.180 . 3.180 2.115 1.858 2.346 . 0 0 "[ . 1 . 2]" 1
1459 1 95 GLN QB 1 96 PRO QD 3.450 . 3.450 2.486 2.036 3.322 . 0 0 "[ . 1 . 2]" 1
1460 1 95 GLN HB2 1 96 PRO HD2 4.790 . 4.790 3.586 2.111 4.797 0.007 17 0 "[ . 1 . 2]" 1
1461 1 95 GLN HB2 1 96 PRO HD3 4.790 . 4.790 4.390 3.323 4.803 0.013 17 0 "[ . 1 . 2]" 1
1462 1 95 GLN HB3 1 96 PRO HD2 4.790 . 4.790 2.958 2.071 4.099 . 0 0 "[ . 1 . 2]" 1
1463 1 95 GLN HB3 1 96 PRO HD3 4.790 . 4.790 3.920 3.358 4.684 . 0 0 "[ . 1 . 2]" 1
1464 1 95 GLN QE 1 95 GLN QG 2.820 . 2.820 2.345 2.181 2.814 . 0 0 "[ . 1 . 2]" 1
1465 1 95 GLN HE22 1 95 GLN QG 3.500 . 3.500 3.340 3.271 3.533 0.033 17 0 "[ . 1 . 2]" 1
1466 1 95 GLN QG 1 96 PRO HD2 4.880 . 4.880 3.827 2.629 4.523 . 0 0 "[ . 1 . 2]" 1
1467 1 95 GLN QG 1 96 PRO QD 4.150 . 4.150 3.550 2.546 4.149 . 0 0 "[ . 1 . 2]" 1
1468 1 95 GLN QG 1 96 PRO HD3 4.880 . 4.880 4.275 3.278 4.867 . 0 0 "[ . 1 . 2]" 1
1469 1 96 PRO HA 1 97 ASP H 2.640 . 2.640 2.355 2.275 2.445 . 0 0 "[ . 1 . 2]" 1
1470 1 96 PRO HA 1 97 ASP QB 4.600 . 4.600 4.121 3.871 4.450 . 0 0 "[ . 1 . 2]" 1
1471 1 96 PRO QB 1 97 ASP H 3.540 . 3.540 2.914 2.642 3.118 . 0 0 "[ . 1 . 2]" 1
1472 1 97 ASP H 1 97 ASP QB 2.960 . 2.960 2.351 2.078 2.700 . 0 0 "[ . 1 . 2]" 1
1473 1 97 ASP H 1 98 PHE H 4.530 . 4.530 4.466 4.231 4.560 0.030 14 0 "[ . 1 . 2]" 1
1474 1 97 ASP HA 1 98 PHE H 2.780 . 2.780 2.255 2.209 2.368 . 0 0 "[ . 1 . 2]" 1
1475 1 97 ASP QB 1 98 PHE H 3.540 . 3.540 3.212 2.767 3.515 . 0 0 "[ . 1 . 2]" 1
1476 1 98 PHE H 1 98 PHE HB2 3.340 . 3.340 2.425 2.289 2.613 . 0 0 "[ . 1 . 2]" 1
1477 1 98 PHE H 1 98 PHE HB3 3.670 . 3.670 3.538 3.515 3.634 . 0 0 "[ . 1 . 2]" 1
1478 1 98 PHE H 1 98 PHE QD 3.590 . 3.590 2.626 1.866 3.173 . 0 0 "[ . 1 . 2]" 1
1479 1 98 PHE H 1 99 ILE H 4.730 . 4.730 4.610 4.515 4.655 . 0 0 "[ . 1 . 2]" 1
1480 1 98 PHE H 1 99 ILE QG 5.340 . 5.340 5.280 4.717 5.351 0.011 8 0 "[ . 1 . 2]" 1
1481 1 98 PHE H 1 99 ILE MG 5.500 . 5.500 4.845 4.534 5.524 0.024 15 0 "[ . 1 . 2]" 1
1482 1 98 PHE H 1 114 ILE MD 5.500 . 5.500 4.336 3.992 4.879 . 0 0 "[ . 1 . 2]" 1
1483 1 98 PHE HA 1 98 PHE QD 3.990 . 3.990 2.357 1.849 3.038 . 0 0 "[ . 1 . 2]" 1
1484 1 98 PHE HA 1 99 ILE H 3.220 . 3.220 2.231 2.202 2.256 . 0 0 "[ . 1 . 2]" 1
1485 1 98 PHE HA 1 99 ILE QG 4.160 . 4.160 3.247 3.090 3.374 . 0 0 "[ . 1 . 2]" 1
1486 1 98 PHE HA 1 100 ASN H 3.800 . 3.800 3.702 3.573 3.795 . 0 0 "[ . 1 . 2]" 1
1487 1 98 PHE HA 1 114 ILE MD 4.580 . 4.580 4.134 3.605 4.558 . 0 0 "[ . 1 . 2]" 1
1488 1 98 PHE HB2 1 114 ILE MD 3.420 . 3.420 2.370 2.024 2.758 . 0 0 "[ . 1 . 2]" 1
1489 1 98 PHE HB2 1 114 ILE MG 4.290 . 4.290 3.842 3.458 4.289 . 0 0 "[ . 1 . 2]" 1
1490 1 98 PHE HB3 1 99 ILE H 4.250 . 4.250 3.331 3.196 3.571 . 0 0 "[ . 1 . 2]" 1
1491 1 98 PHE HB3 1 100 ASN H 4.430 . 4.430 3.645 3.400 3.923 . 0 0 "[ . 1 . 2]" 1
1492 1 98 PHE HB3 1 114 ILE MD 3.420 . 3.420 2.288 1.781 2.727 . 0 0 "[ . 1 . 2]" 1
1493 1 98 PHE HB3 1 114 ILE MG 4.480 . 4.480 3.891 3.421 4.482 0.002 6 0 "[ . 1 . 2]" 1
1494 1 98 PHE QD 1 99 ILE H 4.630 . 4.630 4.026 3.618 4.421 . 0 0 "[ . 1 . 2]" 1
1495 1 98 PHE QD 1 114 ILE MD 3.770 . 3.770 3.327 2.841 3.772 0.002 1 0 "[ . 1 . 2]" 1
1496 1 99 ILE H 1 99 ILE HB 3.750 . 3.750 3.561 3.117 3.637 . 0 0 "[ . 1 . 2]" 1
1497 1 99 ILE H 1 99 ILE MD 4.090 . 4.090 3.526 2.637 3.629 . 0 0 "[ . 1 . 2]" 1
1498 1 99 ILE H 1 99 ILE HG12 4.130 . 4.130 1.962 1.855 2.355 . 0 0 "[ . 1 . 2]" 1
1499 1 99 ILE H 1 99 ILE QG 3.570 . 3.570 1.827 1.784 1.888 . 0 0 "[ . 1 . 2]" 1
1500 1 99 ILE H 1 99 ILE HG13 4.130 . 4.130 2.310 1.925 3.494 . 0 0 "[ . 1 . 2]" 1
1501 1 99 ILE H 1 99 ILE MG 4.070 . 4.070 3.137 2.926 3.764 . 0 0 "[ . 1 . 2]" 1
1502 1 99 ILE H 1 100 ASN H 2.800 . 2.800 1.921 1.877 2.010 . 0 0 "[ . 1 . 2]" 1
1503 1 99 ILE H 1 100 ASN HB2 4.620 . 4.620 4.226 4.026 4.485 . 0 0 "[ . 1 . 2]" 1
1504 1 99 ILE HA 1 99 ILE MD 4.290 . 4.290 4.030 2.357 4.141 . 0 0 "[ . 1 . 2]" 1
1505 1 99 ILE HA 1 99 ILE MG 2.980 . 2.980 2.146 1.939 2.272 . 0 0 "[ . 1 . 2]" 1
1506 1 99 ILE HB 1 99 ILE MD 3.140 . 3.140 2.347 2.098 3.180 0.040 15 0 "[ . 1 . 2]" 1
1507 1 99 ILE HB 1 100 ASN H 4.310 . 4.310 3.774 3.156 3.934 . 0 0 "[ . 1 . 2]" 1
1508 1 99 ILE HB 1 100 ASN QD 4.350 . 4.350 3.134 2.148 4.250 . 0 0 "[ . 1 . 2]" 1
1509 1 99 ILE QG 1 100 ASN H 4.010 . 4.010 2.459 2.101 3.147 . 0 0 "[ . 1 . 2]" 1
1510 1 99 ILE QG 1 100 ASN QD 5.180 . 5.180 3.076 1.848 4.943 . 0 0 "[ . 1 . 2]" 1
1511 1 99 ILE MG 1 100 ASN H 4.260 . 4.260 4.209 4.098 4.285 0.025 1 0 "[ . 1 . 2]" 1
1512 1 99 ILE MG 1 100 ASN QD 5.340 . 5.340 4.325 3.562 5.316 . 0 0 "[ . 1 . 2]" 1
1513 1 100 ASN H 1 100 ASN HB2 3.570 . 3.570 2.707 2.538 2.927 . 0 0 "[ . 1 . 2]" 1
1514 1 100 ASN H 1 100 ASN HB3 4.140 . 4.140 3.811 3.646 3.923 . 0 0 "[ . 1 . 2]" 1
1515 1 100 ASN H 1 100 ASN QD 4.760 . 4.760 3.839 2.824 4.459 . 0 0 "[ . 1 . 2]" 1
1516 1 100 ASN H 1 101 MET H 4.350 . 4.350 4.233 4.169 4.311 . 0 0 "[ . 1 . 2]" 1
1517 1 100 ASN H 1 114 ILE HB 5.500 . 5.500 4.518 4.113 4.875 . 0 0 "[ . 1 . 2]" 1
1518 1 100 ASN H 1 114 ILE MG 4.550 . 4.550 3.798 3.120 4.127 . 0 0 "[ . 1 . 2]" 1
1519 1 100 ASN HA 1 100 ASN QD 4.300 . 4.300 3.520 2.263 4.070 . 0 0 "[ . 1 . 2]" 1
1520 1 100 ASN HA 1 101 MET H 2.720 . 2.720 2.221 2.202 2.239 . 0 0 "[ . 1 . 2]" 1
1521 1 100 ASN HA 1 114 ILE HB 3.600 . 3.600 3.283 2.746 3.601 0.001 4 0 "[ . 1 . 2]" 1
1522 1 100 ASN HA 1 114 ILE MG 3.670 . 3.670 3.208 2.423 3.664 . 0 0 "[ . 1 . 2]" 1
1523 1 100 ASN HA 1 115 LYS HA 3.990 . 3.990 3.370 2.781 3.949 . 0 0 "[ . 1 . 2]" 1
1524 1 100 ASN HB2 1 101 MET H 4.400 . 4.400 4.297 4.080 4.427 0.027 9 0 "[ . 1 . 2]" 1
1525 1 100 ASN HB3 1 101 MET H 4.600 . 4.600 3.457 3.400 3.501 . 0 0 "[ . 1 . 2]" 1
1526 1 101 MET H 1 101 MET HB2 3.960 . 3.960 3.004 2.706 3.406 . 0 0 "[ . 1 . 2]" 1
1527 1 101 MET H 1 101 MET QB 3.300 . 3.300 2.622 2.589 2.662 . 0 0 "[ . 1 . 2]" 1
1528 1 101 MET H 1 101 MET HB3 3.960 . 3.960 3.016 2.687 3.340 . 0 0 "[ . 1 . 2]" 1
1529 1 101 MET H 1 102 TYR QD 4.430 . 4.430 4.081 3.643 4.435 0.005 8 0 "[ . 1 . 2]" 1
1530 1 101 MET H 1 112 TYR QD 4.990 . 4.990 4.355 3.249 4.993 0.003 3 0 "[ . 1 . 2]" 1
1531 1 101 MET H 1 113 LEU H 4.390 . 4.390 4.106 3.855 4.325 . 0 0 "[ . 1 . 2]" 1
1532 1 101 MET H 1 114 ILE H 3.360 . 3.360 3.041 2.679 3.246 . 0 0 "[ . 1 . 2]" 1
1533 1 101 MET H 1 114 ILE HB 3.170 . 3.170 2.454 1.876 2.854 . 0 0 "[ . 1 . 2]" 1
1534 1 101 MET H 1 114 ILE MD 4.550 . 4.550 3.837 3.142 4.290 . 0 0 "[ . 1 . 2]" 1
1535 1 101 MET H 1 114 ILE HG13 5.320 . 5.320 4.422 3.919 4.791 . 0 0 "[ . 1 . 2]" 1
1536 1 101 MET H 1 114 ILE MG 4.060 . 4.060 3.664 3.187 4.056 . 0 0 "[ . 1 . 2]" 1
1537 1 101 MET H 1 115 LYS H 4.470 . 4.470 2.216 1.868 2.519 . 0 0 "[ . 1 . 2]" 1
1538 1 101 MET H 1 115 LYS HA 4.450 . 4.450 3.990 3.444 4.454 0.004 8 0 "[ . 1 . 2]" 1
1539 1 101 MET H 1 115 LYS QG 5.500 . 5.500 4.437 2.544 5.393 . 0 0 "[ . 1 . 2]" 1
1540 1 101 MET HA 1 101 MET ME 4.250 . 4.250 3.774 3.504 4.146 . 0 0 "[ . 1 . 2]" 1
1541 1 101 MET HA 1 101 MET QG 3.960 . 3.960 2.278 1.912 3.148 . 0 0 "[ . 1 . 2]" 1
1542 1 101 MET HA 1 102 TYR H 2.770 . 2.770 2.215 2.201 2.232 . 0 0 "[ . 1 . 2]" 1
1543 1 101 MET HA 1 114 ILE H 4.900 . 4.900 4.633 4.393 4.900 . 0 0 "[ . 1 . 2]" 1
1544 1 101 MET QB 1 102 TYR H 4.210 . 4.210 3.807 3.626 3.933 . 0 0 "[ . 1 . 2]" 1
1545 1 101 MET QB 1 113 LEU H 4.150 . 4.150 3.178 2.707 3.843 . 0 0 "[ . 1 . 2]" 1
1546 1 101 MET QB 1 114 ILE H 3.320 . 3.320 2.389 2.054 2.727 . 0 0 "[ . 1 . 2]" 1
1547 1 101 MET HB2 1 114 ILE H 4.020 . 4.020 3.639 3.020 4.029 0.009 18 0 "[ . 1 . 2]" 1
1548 1 101 MET HB3 1 114 ILE H 4.020 . 4.020 2.444 2.064 2.841 . 0 0 "[ . 1 . 2]" 1
1549 1 101 MET ME 1 101 MET QG 3.430 . 3.430 2.063 1.918 2.174 . 0 0 "[ . 1 . 2]" 1
1550 1 101 MET ME 1 102 TYR H 4.310 . 4.310 4.160 3.870 4.331 0.021 19 0 "[ . 1 . 2]" 1
1551 1 101 MET QG 1 102 TYR H 3.630 . 3.630 3.143 2.707 3.597 . 0 0 "[ . 1 . 2]" 1
1552 1 101 MET QG 1 113 LEU HB3 4.840 . 4.840 3.024 1.911 4.321 . 0 0 "[ . 1 . 2]" 1
1553 1 101 MET QG 1 113 LEU QD 5.230 . 5.230 3.652 2.226 5.001 . 0 0 "[ . 1 . 2]" 1
1554 1 101 MET QG 1 114 ILE H 4.950 . 4.950 4.088 2.946 4.888 . 0 0 "[ . 1 . 2]" 1
1555 1 102 TYR H 1 102 TYR QD 3.800 . 3.800 2.917 2.701 3.146 . 0 0 "[ . 1 . 2]" 1
1556 1 102 TYR HA 1 102 TYR QD 4.470 . 4.470 3.669 3.630 3.711 . 0 0 "[ . 1 . 2]" 1
1557 1 102 TYR HA 1 103 VAL H 3.100 . 3.100 2.370 2.311 2.433 . 0 0 "[ . 1 . 2]" 1
1558 1 102 TYR HA 1 103 VAL QG 4.290 . 4.290 3.480 3.159 3.823 . 0 0 "[ . 1 . 2]" 1
1559 1 102 TYR HA 1 112 TYR HA 3.770 . 3.770 1.958 1.825 2.289 . 0 0 "[ . 1 . 2]" 1
1560 1 102 TYR HA 1 113 LEU H 3.540 . 3.540 2.426 1.897 2.779 . 0 0 "[ . 1 . 2]" 1
1561 1 102 TYR HA 1 113 LEU QD 4.330 . 4.330 3.987 3.360 4.326 . 0 0 "[ . 1 . 2]" 1
1562 1 102 TYR HA 1 114 ILE H 5.500 . 5.500 4.385 3.871 4.736 . 0 0 "[ . 1 . 2]" 1
1563 1 102 TYR HB2 1 103 VAL H 3.730 . 3.730 2.849 2.652 3.005 . 0 0 "[ . 1 . 2]" 1
1564 1 102 TYR HB2 1 111 TYR H 5.020 . 5.020 4.745 4.435 5.025 0.005 10 0 "[ . 1 . 2]" 1
1565 1 102 TYR HB2 1 112 TYR H 4.960 . 4.960 4.505 4.076 4.762 . 0 0 "[ . 1 . 2]" 1
1566 1 102 TYR HB2 1 112 TYR HA 4.210 . 4.210 2.677 2.171 3.042 . 0 0 "[ . 1 . 2]" 1
1567 1 102 TYR HB2 1 113 LEU H 4.980 . 4.980 4.398 3.864 4.779 . 0 0 "[ . 1 . 2]" 1
1568 1 102 TYR QD 1 103 VAL H 4.020 . 4.020 3.153 2.813 3.549 . 0 0 "[ . 1 . 2]" 1
1569 1 102 TYR QD 1 103 VAL HA 4.900 . 4.900 3.350 3.110 3.722 . 0 0 "[ . 1 . 2]" 1
1570 1 102 TYR QD 1 104 ASP H 4.440 . 4.440 4.170 3.827 4.439 . 0 0 "[ . 1 . 2]" 1
1571 1 102 TYR QD 1 111 TYR H 5.420 . 5.420 5.037 4.624 5.417 . 0 0 "[ . 1 . 2]" 1
1572 1 103 VAL H 1 103 VAL HB 3.360 . 3.360 2.707 2.459 2.984 . 0 0 "[ . 1 . 2]" 1
1573 1 103 VAL H 1 103 VAL MG1 4.260 . 4.260 3.005 1.863 3.862 . 0 0 "[ . 1 . 2]" 1
1574 1 103 VAL H 1 103 VAL QG 3.480 . 3.480 2.367 1.859 2.804 . 0 0 "[ . 1 . 2]" 1
1575 1 103 VAL H 1 103 VAL MG2 4.260 . 4.260 3.227 2.540 3.855 . 0 0 "[ . 1 . 2]" 1
1576 1 103 VAL H 1 104 ASP H 4.660 . 4.660 4.503 4.450 4.527 . 0 0 "[ . 1 . 2]" 1
1577 1 103 VAL H 1 110 ARG HA 5.180 . 5.180 4.572 4.240 5.121 . 0 0 "[ . 1 . 2]" 1
1578 1 103 VAL H 1 110 ARG QB 4.610 . 4.610 3.880 3.381 4.614 0.004 18 0 "[ . 1 . 2]" 1
1579 1 103 VAL H 1 111 TYR H 3.610 . 3.610 3.183 2.848 3.564 . 0 0 "[ . 1 . 2]" 1
1580 1 103 VAL H 1 111 TYR QB 4.780 . 4.780 4.034 3.667 4.292 . 0 0 "[ . 1 . 2]" 1
1581 1 103 VAL H 1 112 TYR HA 4.140 . 4.140 3.401 2.940 3.697 . 0 0 "[ . 1 . 2]" 1
1582 1 103 VAL H 1 113 LEU H 4.820 . 4.820 4.434 3.851 4.727 . 0 0 "[ . 1 . 2]" 1
1583 1 103 VAL H 1 113 LEU HB2 5.500 . 5.500 4.851 4.136 5.230 . 0 0 "[ . 1 . 2]" 1
1584 1 103 VAL H 1 113 LEU QD 4.750 . 4.750 4.376 3.850 4.728 . 0 0 "[ . 1 . 2]" 1
1585 1 103 VAL HA 1 103 VAL MG1 3.500 . 3.500 2.759 2.329 3.199 . 0 0 "[ . 1 . 2]" 1
1586 1 103 VAL HA 1 103 VAL QG 3.060 . 3.060 2.164 2.050 2.319 . 0 0 "[ . 1 . 2]" 1
1587 1 103 VAL HA 1 103 VAL MG2 3.500 . 3.500 2.302 2.182 2.427 . 0 0 "[ . 1 . 2]" 1
1588 1 103 VAL HA 1 104 ASP H 2.900 . 2.900 2.308 2.258 2.375 . 0 0 "[ . 1 . 2]" 1
1589 1 103 VAL HA 1 104 ASP QB 4.570 . 4.570 3.933 3.826 4.275 . 0 0 "[ . 1 . 2]" 1
1590 1 103 VAL HB 1 111 TYR H 4.640 . 4.640 4.065 3.196 4.662 0.022 3 0 "[ . 1 . 2]" 1
1591 1 103 VAL QG 1 104 ASP H 3.200 . 3.200 2.168 1.845 2.409 . 0 0 "[ . 1 . 2]" 1
1592 1 103 VAL QG 1 104 ASP HA 3.890 . 3.890 3.610 3.315 3.897 0.007 12 0 "[ . 1 . 2]" 1
1593 1 103 VAL QG 1 104 ASP QB 4.250 . 4.250 3.736 3.639 3.935 . 0 0 "[ . 1 . 2]" 1
1594 1 103 VAL QG 1 105 VAL H 4.250 . 4.250 3.927 3.565 4.248 . 0 0 "[ . 1 . 2]" 1
1595 1 103 VAL QG 1 106 PRO QD 5.280 . 5.280 4.813 4.317 5.032 . 0 0 "[ . 1 . 2]" 1
1596 1 103 VAL QG 1 110 ARG HA 5.440 . 5.440 3.922 2.873 4.991 . 0 0 "[ . 1 . 2]" 1
1597 1 103 VAL MG1 1 104 ASP H 4.150 . 4.150 2.810 1.849 3.761 . 0 0 "[ . 1 . 2]" 1
1598 1 103 VAL MG2 1 104 ASP H 4.150 . 4.150 3.191 2.109 4.063 . 0 0 "[ . 1 . 2]" 1
1599 1 104 ASP H 1 104 ASP QB 3.170 . 3.170 2.299 2.057 2.470 . 0 0 "[ . 1 . 2]" 1
1600 1 104 ASP HA 1 105 VAL H 2.660 . 2.660 2.215 2.204 2.224 . 0 0 "[ . 1 . 2]" 1
1601 1 104 ASP HA 1 110 ARG HA 4.200 . 4.200 2.742 2.214 3.147 . 0 0 "[ . 1 . 2]" 1
1602 1 104 ASP HA 1 110 ARG QB 3.810 . 3.810 2.574 1.991 3.756 . 0 0 "[ . 1 . 2]" 1
1603 1 104 ASP HA 1 111 TYR H 4.510 . 4.510 4.238 3.708 4.494 . 0 0 "[ . 1 . 2]" 1
1604 1 104 ASP QB 1 105 VAL H 3.950 . 3.950 3.794 3.495 3.935 . 0 0 "[ . 1 . 2]" 1
1605 1 105 VAL H 1 105 VAL QG 3.940 . 3.940 2.159 1.818 2.537 . 0 0 "[ . 1 . 2]" 1
1606 1 105 VAL H 1 108 GLU H 5.200 . 5.200 4.737 4.467 4.985 . 0 0 "[ . 1 . 2]" 1
1607 1 105 VAL H 1 110 ARG H 5.240 . 5.240 4.333 3.875 4.916 . 0 0 "[ . 1 . 2]" 1
1608 1 105 VAL H 1 110 ARG HA 4.200 . 4.200 2.846 2.537 3.313 . 0 0 "[ . 1 . 2]" 1
1609 1 105 VAL QG 1 106 PRO QD 3.160 . 3.160 2.361 2.037 2.956 . 0 0 "[ . 1 . 2]" 1
1610 1 105 VAL QG 1 106 PRO QG 4.430 . 4.430 3.787 3.217 4.460 0.030 1 0 "[ . 1 . 2]" 1
1611 1 105 VAL QG 1 108 GLU H 3.800 . 3.800 2.965 2.441 3.373 . 0 0 "[ . 1 . 2]" 1
1612 1 105 VAL QG 1 108 GLU HB2 2.860 . 2.860 1.964 1.642 2.321 . 0 0 "[ . 1 . 2]" 1
1613 1 106 PRO HA 1 107 GLY H 2.900 . 2.900 2.217 2.207 2.235 . 0 0 "[ . 1 . 2]" 1
1614 1 106 PRO HA 1 107 GLY QA 4.750 . 4.750 4.006 3.996 4.020 . 0 0 "[ . 1 . 2]" 1
1615 1 106 PRO QB 1 107 GLY H 3.660 . 3.660 3.374 3.303 3.408 . 0 0 "[ . 1 . 2]" 1
1616 1 106 PRO QB 1 107 GLY QA 4.840 . 4.840 3.846 3.808 3.873 . 0 0 "[ . 1 . 2]" 1
1617 1 106 PRO QB 1 108 GLU H 4.930 . 4.930 4.447 4.385 4.530 . 0 0 "[ . 1 . 2]" 1
1618 1 106 PRO HB2 1 107 GLY H 4.250 . 4.250 3.785 3.527 3.962 . 0 0 "[ . 1 . 2]" 1
1619 1 106 PRO HB3 1 107 GLY H 4.250 . 4.250 3.825 3.651 4.046 . 0 0 "[ . 1 . 2]" 1
1620 1 106 PRO QG 1 107 GLY H 4.890 . 4.890 4.822 4.702 4.892 0.002 4 0 "[ . 1 . 2]" 1
1621 1 107 GLY H 1 108 GLU H 2.940 . 2.940 2.794 2.701 2.859 . 0 0 "[ . 1 . 2]" 1
1622 1 107 GLY H 1 108 GLU HA 5.330 . 5.330 5.159 5.106 5.193 . 0 0 "[ . 1 . 2]" 1
1623 1 107 GLY QA 1 108 GLU H 3.350 . 3.350 2.894 2.880 2.922 . 0 0 "[ . 1 . 2]" 1
1624 1 108 GLU H 1 108 GLU HB2 2.890 . 2.890 2.328 2.237 2.478 . 0 0 "[ . 1 . 2]" 1
1625 1 108 GLU HA 1 109 LYS H 2.700 . 2.700 2.437 2.366 2.496 . 0 0 "[ . 1 . 2]" 1
1626 1 108 GLU HA 1 109 LYS QB 4.720 . 4.720 4.181 4.019 4.657 . 0 0 "[ . 1 . 2]" 1
1627 1 108 GLU HB3 1 109 LYS H 3.060 . 3.060 2.744 2.518 2.997 . 0 0 "[ . 1 . 2]" 1
1628 1 109 LYS H 1 109 LYS QB 2.660 . 2.660 2.091 1.938 2.444 . 0 0 "[ . 1 . 2]" 1
1629 1 109 LYS H 1 110 ARG H 5.500 . 5.500 4.623 4.501 4.675 . 0 0 "[ . 1 . 2]" 1
1630 1 109 LYS HA 1 110 ARG H 2.480 . 2.480 2.268 2.213 2.314 . 0 0 "[ . 1 . 2]" 1
1631 1 109 LYS QB 1 110 ARG H 3.870 . 3.870 3.320 2.897 3.804 . 0 0 "[ . 1 . 2]" 1
1632 1 109 LYS HB2 1 110 ARG H 4.530 . 4.530 4.261 3.203 4.513 . 0 0 "[ . 1 . 2]" 1
1633 1 109 LYS HB3 1 110 ARG H 4.530 . 4.530 3.535 2.981 4.304 . 0 0 "[ . 1 . 2]" 1
1634 1 110 ARG H 1 110 ARG HB2 3.630 . 3.630 3.236 2.183 3.545 . 0 0 "[ . 1 . 2]" 1
1635 1 110 ARG H 1 110 ARG QB 2.790 . 2.790 2.393 2.154 2.551 . 0 0 "[ . 1 . 2]" 1
1636 1 110 ARG H 1 110 ARG HB3 3.630 . 3.630 2.721 2.175 3.529 . 0 0 "[ . 1 . 2]" 1
1637 1 110 ARG H 1 111 TYR H 4.640 . 4.640 4.637 4.562 4.658 0.018 6 0 "[ . 1 . 2]" 1
1638 1 110 ARG HA 1 111 TYR H 2.750 . 2.750 2.242 2.206 2.269 . 0 0 "[ . 1 . 2]" 1
1639 1 110 ARG QB 1 111 TYR H 3.920 . 3.920 3.153 3.014 3.398 . 0 0 "[ . 1 . 2]" 1
1640 1 111 TYR H 1 111 TYR QB 3.280 . 3.280 2.344 2.175 2.434 . 0 0 "[ . 1 . 2]" 1
1641 1 111 TYR H 1 111 TYR QD 4.480 . 4.480 4.116 3.469 4.287 . 0 0 "[ . 1 . 2]" 1
1642 1 111 TYR H 1 112 TYR H 4.500 . 4.500 4.428 4.215 4.509 0.009 7 0 "[ . 1 . 2]" 1
1643 1 111 TYR HA 1 112 TYR H 2.860 . 2.860 2.223 2.209 2.237 . 0 0 "[ . 1 . 2]" 1
1644 1 111 TYR QD 1 112 TYR H 4.080 . 4.080 3.506 2.273 4.089 0.009 11 0 "[ . 1 . 2]" 1
1645 1 112 TYR H 1 112 TYR QB 3.560 . 3.560 2.267 2.096 2.410 . 0 0 "[ . 1 . 2]" 1
1646 1 112 TYR H 1 112 TYR QD 3.220 . 3.220 2.106 1.863 2.572 . 0 0 "[ . 1 . 2]" 1
1647 1 112 TYR H 1 112 TYR QE 4.600 . 4.600 4.208 3.909 4.602 0.002 1 0 "[ . 1 . 2]" 1
1648 1 112 TYR H 1 113 LEU H 4.670 . 4.670 4.620 4.564 4.661 . 0 0 "[ . 1 . 2]" 1
1649 1 112 TYR HA 1 113 LEU H 3.190 . 3.190 2.253 2.218 2.293 . 0 0 "[ . 1 . 2]" 1
1650 1 112 TYR HA 1 113 LEU HB3 5.500 . 5.500 5.252 5.108 5.397 . 0 0 "[ . 1 . 2]" 1
1651 1 112 TYR HA 1 114 ILE H 4.460 . 4.460 4.044 3.820 4.393 . 0 0 "[ . 1 . 2]" 1
1652 1 112 TYR QB 1 113 LEU H 4.090 . 4.090 3.163 2.976 3.358 . 0 0 "[ . 1 . 2]" 1
1653 1 112 TYR QB 1 114 ILE H 3.990 . 3.990 3.555 3.190 3.904 . 0 0 "[ . 1 . 2]" 1
1654 1 112 TYR QB 1 115 LYS H 4.340 . 4.340 3.526 2.974 4.267 . 0 0 "[ . 1 . 2]" 1
1655 1 112 TYR QB 1 115 LYS HA 4.560 . 4.560 4.375 3.975 4.581 0.021 13 0 "[ . 1 . 2]" 1
1656 1 112 TYR QB 1 115 LYS QB 4.140 . 4.140 2.143 1.798 3.636 . 0 0 "[ . 1 . 2]" 1
1657 1 112 TYR QD 1 113 LEU H 4.250 . 4.250 3.723 3.154 4.181 . 0 0 "[ . 1 . 2]" 1
1658 1 112 TYR QD 1 114 ILE HB 5.500 . 5.500 4.861 4.340 5.483 . 0 0 "[ . 1 . 2]" 1
1659 1 112 TYR QD 1 115 LYS H 4.720 . 4.720 3.290 2.523 4.217 . 0 0 "[ . 1 . 2]" 1
1660 1 112 TYR QD 1 115 LYS HA 4.340 . 4.340 4.117 3.651 4.346 0.006 10 0 "[ . 1 . 2]" 1
1661 1 112 TYR QD 1 115 LYS HB2 4.850 . 4.850 3.007 1.883 4.734 . 0 0 "[ . 1 . 2]" 1
1662 1 112 TYR QD 1 115 LYS QB 4.110 . 4.110 2.485 1.711 4.112 0.002 19 0 "[ . 1 . 2]" 1
1663 1 112 TYR QD 1 115 LYS HB3 4.850 . 4.850 2.985 1.964 4.769 . 0 0 "[ . 1 . 2]" 1
1664 1 113 LEU H 1 113 LEU HB2 3.450 . 3.450 2.151 2.052 2.298 . 0 0 "[ . 1 . 2]" 1
1665 1 113 LEU H 1 113 LEU HB3 3.490 . 3.490 3.033 2.891 3.193 . 0 0 "[ . 1 . 2]" 1
1666 1 113 LEU H 1 113 LEU QD 3.730 . 3.730 3.247 2.877 3.518 . 0 0 "[ . 1 . 2]" 1
1667 1 113 LEU H 1 114 ILE H 2.840 . 2.840 2.262 2.134 2.429 . 0 0 "[ . 1 . 2]" 1
1668 1 113 LEU H 1 114 ILE HA 5.130 . 5.130 5.013 4.920 5.140 0.010 16 0 "[ . 1 . 2]" 1
1669 1 113 LEU H 1 114 ILE HB 5.050 . 5.050 4.453 4.173 4.661 . 0 0 "[ . 1 . 2]" 1
1670 1 113 LEU H 1 114 ILE MD 5.500 . 5.500 5.325 5.111 5.470 . 0 0 "[ . 1 . 2]" 1
1671 1 113 LEU H 1 114 ILE HG13 4.550 . 4.550 4.441 4.146 4.554 0.004 6 0 "[ . 1 . 2]" 1
1672 1 113 LEU HA 1 113 LEU QD 3.590 . 3.590 2.190 1.754 2.845 . 0 0 "[ . 1 . 2]" 1
1673 1 113 LEU HB2 1 113 LEU QD 3.010 . 3.010 2.131 1.907 2.353 . 0 0 "[ . 1 . 2]" 1
1674 1 113 LEU HB2 1 114 ILE H 3.790 . 3.790 3.314 3.079 3.559 . 0 0 "[ . 1 . 2]" 1
1675 1 113 LEU HB3 1 114 ILE H 3.200 . 3.200 2.860 2.594 3.123 . 0 0 "[ . 1 . 2]" 1
1676 1 113 LEU QD 1 114 ILE H 4.680 . 4.680 3.916 3.622 4.191 . 0 0 "[ . 1 . 2]" 1
1677 1 113 LEU MD1 1 114 ILE H 5.420 . 5.420 4.359 3.805 4.884 . 0 0 "[ . 1 . 2]" 1
1678 1 113 LEU MD2 1 114 ILE H 5.420 . 5.420 4.509 4.320 4.692 . 0 0 "[ . 1 . 2]" 1
1679 1 114 ILE H 1 114 ILE HB 3.600 . 3.600 2.407 2.295 2.557 . 0 0 "[ . 1 . 2]" 1
1680 1 114 ILE H 1 114 ILE MD 4.720 . 4.720 3.924 3.649 4.150 . 0 0 "[ . 1 . 2]" 1
1681 1 114 ILE H 1 114 ILE HG12 4.650 . 4.650 3.953 3.735 4.151 . 0 0 "[ . 1 . 2]" 1
1682 1 114 ILE H 1 114 ILE HG13 3.830 . 3.830 2.844 2.496 3.049 . 0 0 "[ . 1 . 2]" 1
1683 1 114 ILE H 1 115 LYS H 3.580 . 3.580 2.391 2.015 2.876 . 0 0 "[ . 1 . 2]" 1
1684 1 114 ILE HA 1 114 ILE MD 3.920 . 3.920 3.766 3.680 3.833 . 0 0 "[ . 1 . 2]" 1
1685 1 114 ILE HA 1 114 ILE HG12 4.250 . 4.250 2.436 2.295 2.576 . 0 0 "[ . 1 . 2]" 1
1686 1 114 ILE HA 1 114 ILE HG13 3.960 . 3.960 2.940 2.816 3.160 . 0 0 "[ . 1 . 2]" 1
1687 1 114 ILE HA 1 114 ILE MG 2.990 . 2.990 2.456 2.320 2.522 . 0 0 "[ . 1 . 2]" 1
1688 1 114 ILE HB 1 114 ILE MD 3.220 . 3.220 2.324 2.158 2.481 . 0 0 "[ . 1 . 2]" 1
1689 1 114 ILE HG12 1 114 ILE MG 3.680 . 3.680 2.337 2.159 2.469 . 0 0 "[ . 1 . 2]" 1
1690 1 114 ILE HG12 1 115 LYS H 4.970 . 4.970 4.782 4.546 4.970 0.000 13 0 "[ . 1 . 2]" 1
1691 1 114 ILE MG 1 115 LYS H 3.350 . 3.350 2.843 2.048 3.338 . 0 0 "[ . 1 . 2]" 1
1692 1 114 ILE MG 1 115 LYS HA 3.900 . 3.900 3.471 3.143 3.798 . 0 0 "[ . 1 . 2]" 1
1693 1 115 LYS H 1 115 LYS HB2 3.780 . 3.780 2.626 1.941 3.830 0.050 9 0 "[ . 1 . 2]" 1
1694 1 115 LYS H 1 115 LYS QB 3.210 . 3.210 2.414 1.926 2.894 . 0 0 "[ . 1 . 2]" 1
1695 1 115 LYS H 1 115 LYS HB3 3.780 . 3.780 3.142 2.303 3.749 . 0 0 "[ . 1 . 2]" 1
1696 1 115 LYS HA 1 115 LYS QG 3.660 . 3.660 2.344 1.974 3.306 . 0 0 "[ . 1 . 2]" 1
1697 1 115 LYS QB 1 115 LYS QD 3.460 . 3.460 2.062 1.892 2.554 . 0 0 "[ . 1 . 2]" 1
1698 1 115 LYS QB 1 115 LYS QE 4.420 . 4.420 3.072 1.883 3.695 . 0 0 "[ . 1 . 2]" 1
1699 1 115 LYS QE 1 115 LYS QG 3.420 . 3.420 2.098 1.905 2.432 . 0 0 "[ . 1 . 2]" 1
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