NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
582642 |
2mpl   |
19988 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mpl
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 1215
_Distance_constraint_stats_list.Viol_count 1314
_Distance_constraint_stats_list.Viol_total 959.139
_Distance_constraint_stats_list.Viol_max 0.266
_Distance_constraint_stats_list.Viol_rms 0.0117
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0365
_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 TRP 2.516 0.144 5 0 "[ . 1 . 2]"
1 5 PRO 1.505 0.069 15 0 "[ . 1 . 2]"
1 6 GLU 0.203 0.086 16 0 "[ . 1 . 2]"
1 7 GLU 1.177 0.139 10 0 "[ . 1 . 2]"
1 8 LEU 5.654 0.226 11 0 "[ . 1 . 2]"
1 9 GLU 0.108 0.069 8 0 "[ . 1 . 2]"
1 10 LEU 0.364 0.065 13 0 "[ . 1 . 2]"
1 11 ALA 0.772 0.080 1 0 "[ . 1 . 2]"
1 12 LEU 1.978 0.137 15 0 "[ . 1 . 2]"
1 13 GLN 0.559 0.137 15 0 "[ . 1 . 2]"
1 14 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLY 0.052 0.052 14 0 "[ . 1 . 2]"
1 16 GLN 0.869 0.057 15 0 "[ . 1 . 2]"
1 17 ARG 0.273 0.081 5 0 "[ . 1 . 2]"
1 18 CYS 0.326 0.092 6 0 "[ . 1 . 2]"
1 19 VAL 0.670 0.092 6 0 "[ . 1 . 2]"
1 20 ARG 1.316 0.160 4 0 "[ . 1 . 2]"
1 21 ALA 0.542 0.096 14 0 "[ . 1 . 2]"
1 22 ARG 0.425 0.138 20 0 "[ . 1 . 2]"
1 23 LEU 0.621 0.138 20 0 "[ . 1 . 2]"
1 24 SER 0.150 0.062 1 0 "[ . 1 . 2]"
1 25 LEU 1.703 0.198 3 0 "[ . 1 . 2]"
1 26 THR 0.499 0.147 13 0 "[ . 1 . 2]"
1 27 GLU 0.168 0.045 3 0 "[ . 1 . 2]"
1 28 GLY 0.146 0.066 10 0 "[ . 1 . 2]"
1 29 LEU 1.131 0.089 7 0 "[ . 1 . 2]"
1 30 SER 1.133 0.078 15 0 "[ . 1 . 2]"
1 31 TRP 5.539 0.226 11 0 "[ . 1 . 2]"
1 32 GLY 0.103 0.034 19 0 "[ . 1 . 2]"
1 33 PRO 0.176 0.026 14 0 "[ . 1 . 2]"
1 34 PHE 1.059 0.060 4 0 "[ . 1 . 2]"
1 35 TYR 0.216 0.063 5 0 "[ . 1 . 2]"
1 36 GLY 0.342 0.104 11 0 "[ . 1 . 2]"
1 37 SER 0.666 0.049 2 0 "[ . 1 . 2]"
1 38 ILE 1.079 0.261 2 0 "[ . 1 . 2]"
1 39 GLN 0.449 0.115 2 0 "[ . 1 . 2]"
1 40 THR 1.424 0.215 3 0 "[ . 1 . 2]"
1 41 ARG 0.727 0.184 6 0 "[ . 1 . 2]"
1 42 ALA 0.426 0.100 17 0 "[ . 1 . 2]"
1 43 LEU 1.066 0.200 10 0 "[ . 1 . 2]"
1 44 SER 0.400 0.200 10 0 "[ . 1 . 2]"
1 45 PRO 0.389 0.109 18 0 "[ . 1 . 2]"
1 46 GLU 0.389 0.109 18 0 "[ . 1 . 2]"
1 47 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 PRO 0.439 0.083 14 0 "[ . 1 . 2]"
1 51 GLY 0.439 0.083 14 0 "[ . 1 . 2]"
1 52 PRO 0.529 0.087 20 0 "[ . 1 . 2]"
1 53 ALA 0.529 0.087 20 0 "[ . 1 . 2]"
1 54 VAL 0.740 0.215 3 0 "[ . 1 . 2]"
1 55 THR 0.587 0.078 2 0 "[ . 1 . 2]"
1 56 LEU 1.102 0.078 2 0 "[ . 1 . 2]"
1 57 MET 0.760 0.121 10 0 "[ . 1 . 2]"
1 58 VAL 1.018 0.077 11 0 "[ . 1 . 2]"
1 59 ASP 0.008 0.008 14 0 "[ . 1 . 2]"
1 60 GLU 0.189 0.062 14 0 "[ . 1 . 2]"
1 61 SER 0.009 0.008 14 0 "[ . 1 . 2]"
1 62 CYS 0.462 0.266 5 0 "[ . 1 . 2]"
1 63 TRP 2.654 0.111 19 0 "[ . 1 . 2]"
1 64 LEU 2.506 0.113 2 0 "[ . 1 . 2]"
1 65 ARG 1.290 0.084 19 0 "[ . 1 . 2]"
1 66 MET 0.915 0.084 19 0 "[ . 1 . 2]"
1 67 LEU 0.884 0.057 12 0 "[ . 1 . 2]"
1 68 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLN 0.800 0.072 10 0 "[ . 1 . 2]"
1 70 VAL 1.903 0.137 17 0 "[ . 1 . 2]"
1 71 LEU 0.198 0.108 12 0 "[ . 1 . 2]"
1 72 THR 0.327 0.108 12 0 "[ . 1 . 2]"
1 73 GLU 1.237 0.152 4 0 "[ . 1 . 2]"
1 74 GLU 0.284 0.053 6 0 "[ . 1 . 2]"
1 75 ALA 0.805 0.129 18 0 "[ . 1 . 2]"
1 76 ALA 0.913 0.069 19 0 "[ . 1 . 2]"
1 77 ASN 1.009 0.137 17 0 "[ . 1 . 2]"
1 78 SER 0.375 0.086 13 0 "[ . 1 . 2]"
1 79 GLU 0.790 0.105 16 0 "[ . 1 . 2]"
1 80 ILE 0.146 0.030 3 0 "[ . 1 . 2]"
1 81 TYR 0.451 0.066 2 0 "[ . 1 . 2]"
1 82 ARG 2.015 0.121 17 0 "[ . 1 . 2]"
1 83 LYS 1.823 0.121 17 0 "[ . 1 . 2]"
1 84 ASP 0.985 0.109 19 0 "[ . 1 . 2]"
1 85 ASP 0.176 0.046 17 0 "[ . 1 . 2]"
1 86 ALA 0.672 0.087 17 0 "[ . 1 . 2]"
1 87 LEU 2.246 0.119 11 0 "[ . 1 . 2]"
1 88 TRP 1.968 0.119 11 0 "[ . 1 . 2]"
1 89 CYS 0.128 0.061 18 0 "[ . 1 . 2]"
1 90 ARG 1.503 0.073 11 0 "[ . 1 . 2]"
1 91 VAL 0.908 0.073 13 0 "[ . 1 . 2]"
1 92 THR 0.182 0.086 13 0 "[ . 1 . 2]"
1 93 LYS 0.124 0.067 3 0 "[ . 1 . 2]"
1 94 VAL 0.014 0.014 2 0 "[ . 1 . 2]"
1 95 VAL 0.068 0.064 11 0 "[ . 1 . 2]"
1 96 PRO 0.021 0.021 11 0 "[ . 1 . 2]"
1 97 SER 0.021 0.021 11 0 "[ . 1 . 2]"
1 98 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 LEU 1.209 0.096 14 0 "[ . 1 . 2]"
1 101 LEU 1.507 0.208 5 0 "[ . 1 . 2]"
1 102 TYR 1.325 0.069 19 0 "[ . 1 . 2]"
1 103 VAL 1.825 0.113 2 0 "[ . 1 . 2]"
1 104 ARG 0.638 0.105 16 0 "[ . 1 . 2]"
1 105 LEU 0.969 0.123 17 0 "[ . 1 . 2]"
1 106 VAL 1.478 0.123 17 0 "[ . 1 . 2]"
1 107 THR 0.679 0.117 20 0 "[ . 1 . 2]"
1 108 GLU 0.051 0.051 4 0 "[ . 1 . 2]"
1 111 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 VAL 0.617 0.210 8 0 "[ . 1 . 2]"
1 122 GLU 0.531 0.210 8 0 "[ . 1 . 2]"
1 126 LEU 0.017 0.017 15 0 "[ . 1 . 2]"
1 127 ALA 0.017 0.017 15 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 TRP H 1 2 TRP HB2 3.890 . 3.890 3.781 3.019 3.981 0.091 13 0 "[ . 1 . 2]" 1
2 1 2 TRP H 1 2 TRP QB 3.360 . 3.360 2.979 2.110 3.327 . 0 0 "[ . 1 . 2]" 1
3 1 2 TRP H 1 2 TRP HB3 3.890 . 3.890 3.128 2.154 3.567 . 0 0 "[ . 1 . 2]" 1
4 1 2 TRP H 1 2 TRP HD1 4.140 . 4.140 2.243 1.725 4.284 0.144 5 0 "[ . 1 . 2]" 1
5 1 2 TRP HA 1 2 TRP HD1 4.710 . 4.710 4.114 3.936 4.512 . 0 0 "[ . 1 . 2]" 1
6 1 2 TRP QB 1 2 TRP HZ3 5.210 . 5.210 4.667 4.587 4.824 . 0 0 "[ . 1 . 2]" 1
7 1 2 TRP QB 1 10 LEU MD2 4.280 . 4.280 3.414 2.724 4.106 . 0 0 "[ . 1 . 2]" 1
8 1 2 TRP HB2 1 2 TRP HE3 4.060 . 4.060 2.492 2.387 2.716 . 0 0 "[ . 1 . 2]" 1
9 1 2 TRP HB2 1 10 LEU MD2 5.040 . 5.040 3.910 2.771 4.593 . 0 0 "[ . 1 . 2]" 1
10 1 2 TRP HB3 1 2 TRP HE3 4.060 . 4.060 3.645 3.168 4.105 0.045 3 0 "[ . 1 . 2]" 1
11 1 2 TRP HB3 1 10 LEU MD2 5.040 . 5.040 3.878 3.256 4.782 . 0 0 "[ . 1 . 2]" 1
12 1 2 TRP HD1 1 10 LEU MD2 5.500 . 5.500 5.328 4.814 5.515 0.015 12 0 "[ . 1 . 2]" 1
13 1 2 TRP HD1 1 10 LEU HG 5.000 . 5.000 4.765 3.945 5.030 0.030 6 0 "[ . 1 . 2]" 1
14 1 2 TRP HE1 1 8 LEU HB3 5.020 . 5.020 4.742 3.220 5.057 0.037 4 0 "[ . 1 . 2]" 1
15 1 2 TRP HE1 1 9 GLU QB 5.340 . 5.340 4.987 3.926 5.409 0.069 8 0 "[ . 1 . 2]" 1
16 1 2 TRP HE1 1 10 LEU H 4.760 . 4.760 3.102 2.557 3.951 . 0 0 "[ . 1 . 2]" 1
17 1 2 TRP HE1 1 10 LEU HB2 4.790 . 4.790 3.711 3.134 4.105 . 0 0 "[ . 1 . 2]" 1
18 1 2 TRP HE1 1 10 LEU MD2 5.470 . 5.470 5.391 4.930 5.535 0.065 13 0 "[ . 1 . 2]" 1
19 1 2 TRP HE3 1 10 LEU HB2 4.900 . 4.900 3.611 3.345 3.931 . 0 0 "[ . 1 . 2]" 1
20 1 2 TRP HE3 1 10 LEU HB3 5.500 . 5.500 5.114 4.729 5.504 0.004 4 0 "[ . 1 . 2]" 1
21 1 2 TRP HE3 1 10 LEU MD2 4.340 . 4.340 2.905 2.189 3.508 . 0 0 "[ . 1 . 2]" 1
22 1 2 TRP HE3 1 10 LEU HG 4.120 . 4.120 3.966 3.713 4.129 0.009 8 0 "[ . 1 . 2]" 1
23 1 2 TRP HE3 1 63 TRP HB3 4.010 . 4.010 3.376 2.821 3.870 . 0 0 "[ . 1 . 2]" 1
24 1 2 TRP HE3 1 67 LEU QD 5.000 . 5.000 4.621 3.907 5.039 0.039 4 0 "[ . 1 . 2]" 1
25 1 2 TRP HH2 1 8 LEU HB3 4.550 . 4.550 2.146 1.920 3.269 . 0 0 "[ . 1 . 2]" 1
26 1 2 TRP HH2 1 8 LEU MD1 3.360 . 3.360 2.861 1.989 3.439 0.079 17 0 "[ . 1 . 2]" 1
27 1 2 TRP HH2 1 8 LEU MD2 4.270 . 4.270 4.209 3.882 4.377 0.107 6 0 "[ . 1 . 2]" 1
28 1 2 TRP HH2 1 8 LEU HG 4.090 . 4.090 2.895 2.521 3.157 . 0 0 "[ . 1 . 2]" 1
29 1 2 TRP HH2 1 63 TRP HE3 4.090 . 4.090 2.925 2.374 3.411 . 0 0 "[ . 1 . 2]" 1
30 1 2 TRP HZ2 1 8 LEU H 4.640 . 4.640 4.054 3.714 4.426 . 0 0 "[ . 1 . 2]" 1
31 1 2 TRP HZ2 1 8 LEU HB2 3.700 . 3.700 2.903 2.093 3.616 . 0 0 "[ . 1 . 2]" 1
32 1 2 TRP HZ2 1 8 LEU HB3 4.270 . 4.270 2.107 1.792 2.325 . 0 0 "[ . 1 . 2]" 1
33 1 2 TRP HZ2 1 8 LEU MD1 4.410 . 4.410 3.892 2.186 4.349 . 0 0 "[ . 1 . 2]" 1
34 1 2 TRP HZ2 1 8 LEU MD2 4.940 . 4.940 4.561 4.036 4.957 0.017 5 0 "[ . 1 . 2]" 1
35 1 2 TRP HZ2 1 8 LEU HG 4.650 . 4.650 4.151 3.362 4.514 . 0 0 "[ . 1 . 2]" 1
36 1 2 TRP HZ2 1 9 GLU HA 5.350 . 5.350 2.952 2.475 3.515 . 0 0 "[ . 1 . 2]" 1
37 1 2 TRP HZ2 1 9 GLU QB 5.240 . 5.240 4.556 4.282 4.950 . 0 0 "[ . 1 . 2]" 1
38 1 2 TRP HZ2 1 10 LEU HB2 4.980 . 4.980 4.113 3.535 4.809 . 0 0 "[ . 1 . 2]" 1
39 1 2 TRP HZ2 1 63 TRP HE3 5.500 . 5.500 5.060 4.429 5.525 0.025 14 0 "[ . 1 . 2]" 1
40 1 2 TRP HZ3 1 8 LEU HB3 4.910 . 4.910 4.473 4.265 4.936 0.026 6 0 "[ . 1 . 2]" 1
41 1 2 TRP HZ3 1 8 LEU HG 4.850 . 4.850 4.756 4.544 4.911 0.061 13 0 "[ . 1 . 2]" 1
42 1 2 TRP HZ3 1 10 LEU MD2 4.330 . 4.330 3.523 3.160 4.047 . 0 0 "[ . 1 . 2]" 1
43 1 2 TRP HZ3 1 63 TRP HA 4.720 . 4.720 3.539 2.836 4.150 . 0 0 "[ . 1 . 2]" 1
44 1 2 TRP HZ3 1 63 TRP HB2 3.850 . 3.850 2.192 1.956 2.563 . 0 0 "[ . 1 . 2]" 1
45 1 2 TRP HZ3 1 63 TRP HB3 4.270 . 4.270 3.471 2.951 4.214 . 0 0 "[ . 1 . 2]" 1
46 1 2 TRP HZ3 1 67 LEU MD1 4.950 . 4.950 3.784 2.122 4.985 0.035 20 0 "[ . 1 . 2]" 1
47 1 2 TRP HZ3 1 67 LEU QD 3.630 . 3.630 2.893 2.118 3.314 . 0 0 "[ . 1 . 2]" 1
48 1 2 TRP HZ3 1 67 LEU MD2 4.950 . 4.950 3.994 2.855 5.002 0.052 16 0 "[ . 1 . 2]" 1
49 1 5 PRO HA 1 6 GLU H 3.100 . 3.100 2.302 1.958 2.464 . 0 0 "[ . 1 . 2]" 1
50 1 5 PRO HA 1 31 TRP HE1 4.820 . 4.820 4.429 3.449 4.888 0.068 2 0 "[ . 1 . 2]" 1
51 1 5 PRO HB2 1 7 GLU H 3.290 . 3.290 2.446 2.255 2.838 . 0 0 "[ . 1 . 2]" 1
52 1 5 PRO HB2 1 31 TRP HD1 4.580 . 4.580 4.308 3.640 4.611 0.031 10 0 "[ . 1 . 2]" 1
53 1 5 PRO HB2 1 31 TRP HE1 3.710 . 3.710 2.474 2.147 2.870 . 0 0 "[ . 1 . 2]" 1
54 1 5 PRO HB2 1 63 TRP HZ2 5.500 . 5.500 5.494 4.934 5.567 0.067 5 0 "[ . 1 . 2]" 1
55 1 5 PRO HB3 1 6 GLU H 4.250 . 4.250 3.354 3.002 3.853 . 0 0 "[ . 1 . 2]" 1
56 1 5 PRO HB3 1 7 GLU H 3.970 . 3.970 3.821 3.516 4.039 0.069 15 0 "[ . 1 . 2]" 1
57 1 5 PRO HB3 1 8 LEU H 5.500 . 5.500 4.872 4.573 5.228 . 0 0 "[ . 1 . 2]" 1
58 1 5 PRO HB3 1 8 LEU MD2 5.420 . 5.420 4.211 3.450 4.867 . 0 0 "[ . 1 . 2]" 1
59 1 5 PRO HB3 1 31 TRP HD1 4.610 . 4.610 3.156 2.753 3.460 . 0 0 "[ . 1 . 2]" 1
60 1 5 PRO HB3 1 31 TRP HE1 3.770 . 3.770 2.444 2.038 2.905 . 0 0 "[ . 1 . 2]" 1
61 1 5 PRO HB3 1 31 TRP HZ2 5.500 . 5.500 4.469 3.939 5.220 . 0 0 "[ . 1 . 2]" 1
62 1 5 PRO QD 1 63 TRP HE1 3.820 . 3.820 3.452 2.961 3.854 0.034 19 0 "[ . 1 . 2]" 1
63 1 5 PRO QG 1 6 GLU H 4.690 . 4.690 4.455 4.136 4.750 0.060 6 0 "[ . 1 . 2]" 1
64 1 5 PRO QG 1 7 GLU H 4.640 . 4.640 4.031 3.198 4.553 . 0 0 "[ . 1 . 2]" 1
65 1 5 PRO QG 1 8 LEU H 4.420 . 4.420 3.835 2.838 4.463 0.043 17 0 "[ . 1 . 2]" 1
66 1 5 PRO QG 1 8 LEU HB2 4.270 . 4.270 2.745 2.044 4.016 . 0 0 "[ . 1 . 2]" 1
67 1 5 PRO QG 1 8 LEU MD2 3.400 . 3.400 2.331 1.930 3.415 0.015 20 0 "[ . 1 . 2]" 1
68 1 5 PRO QG 1 31 TRP HD1 4.370 . 4.370 3.788 2.939 4.267 . 0 0 "[ . 1 . 2]" 1
69 1 5 PRO QG 1 31 TRP HE1 4.010 . 4.010 3.043 2.420 3.800 . 0 0 "[ . 1 . 2]" 1
70 1 5 PRO QG 1 63 TRP HH2 4.380 . 4.380 3.548 3.144 4.242 . 0 0 "[ . 1 . 2]" 1
71 1 5 PRO QG 1 63 TRP HZ2 3.910 . 3.910 3.022 2.818 3.276 . 0 0 "[ . 1 . 2]" 1
72 1 5 PRO HG2 1 8 LEU MD2 4.050 . 4.050 2.373 1.942 3.672 . 0 0 "[ . 1 . 2]" 1
73 1 5 PRO HG2 1 31 TRP HE1 4.610 . 4.610 3.483 3.014 4.634 0.024 6 0 "[ . 1 . 2]" 1
74 1 5 PRO HG2 1 63 TRP HE1 5.500 . 5.500 4.888 4.014 5.517 0.017 19 0 "[ . 1 . 2]" 1
75 1 5 PRO HG2 1 63 TRP HH2 4.990 . 4.990 3.995 3.227 5.054 0.064 20 0 "[ . 1 . 2]" 1
76 1 5 PRO HG3 1 8 LEU MD2 4.050 . 4.050 3.650 3.051 4.075 0.025 12 0 "[ . 1 . 2]" 1
77 1 5 PRO HG3 1 31 TRP HE1 4.610 . 4.610 3.444 2.467 4.105 . 0 0 "[ . 1 . 2]" 1
78 1 5 PRO HG3 1 63 TRP HE1 5.500 . 5.500 3.603 3.005 4.145 . 0 0 "[ . 1 . 2]" 1
79 1 5 PRO HG3 1 63 TRP HH2 4.990 . 4.990 4.184 3.524 4.992 0.002 2 0 "[ . 1 . 2]" 1
80 1 6 GLU H 1 6 GLU QB 3.010 . 3.010 2.469 2.071 2.929 . 0 0 "[ . 1 . 2]" 1
81 1 6 GLU H 1 6 GLU QG 3.730 . 3.730 2.481 1.934 3.816 0.086 16 0 "[ . 1 . 2]" 1
82 1 6 GLU H 1 7 GLU H 3.710 . 3.710 2.474 2.119 2.679 . 0 0 "[ . 1 . 2]" 1
83 1 6 GLU H 1 8 LEU H 5.150 . 5.150 4.036 3.812 4.231 . 0 0 "[ . 1 . 2]" 1
84 1 6 GLU HA 1 8 LEU H 4.280 . 4.280 3.470 3.096 3.795 . 0 0 "[ . 1 . 2]" 1
85 1 6 GLU QB 1 7 GLU H 4.080 . 4.080 3.207 2.782 3.870 . 0 0 "[ . 1 . 2]" 1
86 1 7 GLU H 1 7 GLU QB 3.230 . 3.230 2.456 2.346 2.607 . 0 0 "[ . 1 . 2]" 1
87 1 7 GLU H 1 7 GLU QG 4.150 . 4.150 3.009 2.056 3.492 . 0 0 "[ . 1 . 2]" 1
88 1 7 GLU H 1 8 LEU H 3.480 . 3.480 2.312 2.133 2.534 . 0 0 "[ . 1 . 2]" 1
89 1 7 GLU H 1 8 LEU HB2 4.620 . 4.620 3.994 3.814 4.146 . 0 0 "[ . 1 . 2]" 1
90 1 7 GLU H 1 8 LEU HB3 5.500 . 5.500 5.501 5.173 5.587 0.087 2 0 "[ . 1 . 2]" 1
91 1 7 GLU H 1 8 LEU MD2 5.240 . 5.240 3.736 2.860 4.652 . 0 0 "[ . 1 . 2]" 1
92 1 7 GLU H 1 25 LEU QD 5.440 . 5.440 4.810 4.423 5.391 . 0 0 "[ . 1 . 2]" 1
93 1 7 GLU H 1 31 TRP HE1 4.670 . 4.670 3.812 3.308 4.399 . 0 0 "[ . 1 . 2]" 1
94 1 7 GLU H 1 31 TRP HZ2 4.770 . 4.770 4.314 3.847 4.783 0.013 2 0 "[ . 1 . 2]" 1
95 1 7 GLU HA 1 7 GLU QG 2.640 . 2.640 2.613 2.468 2.779 0.139 10 0 "[ . 1 . 2]" 1
96 1 7 GLU HA 1 31 TRP HZ2 5.500 . 5.500 5.189 4.846 5.532 0.032 11 0 "[ . 1 . 2]" 1
97 1 7 GLU QB 1 31 TRP HE1 4.460 . 4.460 3.162 2.364 3.786 . 0 0 "[ . 1 . 2]" 1
98 1 7 GLU QB 1 31 TRP HZ2 3.420 . 3.420 2.209 1.907 2.625 . 0 0 "[ . 1 . 2]" 1
99 1 7 GLU HB2 1 31 TRP HZ2 3.990 . 3.990 2.246 1.930 2.719 . 0 0 "[ . 1 . 2]" 1
100 1 7 GLU HB3 1 31 TRP HZ2 3.990 . 3.990 3.315 2.840 3.902 . 0 0 "[ . 1 . 2]" 1
101 1 7 GLU QG 1 8 LEU H 5.340 . 5.340 4.484 3.974 4.700 . 0 0 "[ . 1 . 2]" 1
102 1 7 GLU QG 1 25 LEU QD 4.690 . 4.690 3.182 2.321 4.329 . 0 0 "[ . 1 . 2]" 1
103 1 7 GLU QG 1 29 LEU QD 4.300 . 4.300 2.835 1.925 4.275 . 0 0 "[ . 1 . 2]" 1
104 1 7 GLU QG 1 31 TRP HE1 4.750 . 4.750 3.418 3.071 3.917 . 0 0 "[ . 1 . 2]" 1
105 1 7 GLU QG 1 31 TRP HZ2 4.360 . 4.360 3.455 3.023 4.379 0.019 6 0 "[ . 1 . 2]" 1
106 1 7 GLU HG2 1 31 TRP HZ2 5.010 . 5.010 3.687 3.083 5.006 . 0 0 "[ . 1 . 2]" 1
107 1 7 GLU HG3 1 31 TRP HZ2 5.010 . 5.010 4.591 3.627 5.036 0.026 14 0 "[ . 1 . 2]" 1
108 1 8 LEU H 1 8 LEU HB2 3.430 . 3.430 2.265 2.039 2.403 . 0 0 "[ . 1 . 2]" 1
109 1 8 LEU H 1 8 LEU HB3 3.670 . 3.670 3.416 3.043 3.589 . 0 0 "[ . 1 . 2]" 1
110 1 8 LEU H 1 8 LEU MD1 4.690 . 4.690 4.095 3.669 4.232 . 0 0 "[ . 1 . 2]" 1
111 1 8 LEU H 1 8 LEU MD2 4.290 . 4.290 2.928 2.268 3.563 . 0 0 "[ . 1 . 2]" 1
112 1 8 LEU H 1 9 GLU H 5.140 . 5.140 4.458 4.388 4.550 . 0 0 "[ . 1 . 2]" 1
113 1 8 LEU H 1 31 TRP HZ2 4.810 . 4.810 4.545 4.225 4.825 0.015 10 0 "[ . 1 . 2]" 1
114 1 8 LEU HA 1 8 LEU HB2 2.950 . 2.950 2.933 2.801 3.002 0.052 17 0 "[ . 1 . 2]" 1
115 1 8 LEU HA 1 8 LEU HB3 2.890 . 2.890 2.700 2.460 2.912 0.022 6 0 "[ . 1 . 2]" 1
116 1 8 LEU HA 1 8 LEU MD1 3.090 . 3.090 2.014 1.935 2.164 . 0 0 "[ . 1 . 2]" 1
117 1 8 LEU HA 1 8 LEU MD2 4.600 . 4.600 2.535 2.114 3.094 . 0 0 "[ . 1 . 2]" 1
118 1 8 LEU HA 1 9 GLU H 3.250 . 3.250 2.366 2.287 2.455 . 0 0 "[ . 1 . 2]" 1
119 1 8 LEU HA 1 9 GLU QB 5.340 . 5.340 4.000 3.782 4.445 . 0 0 "[ . 1 . 2]" 1
120 1 8 LEU HA 1 22 ARG H 3.650 . 3.650 2.521 2.126 2.852 . 0 0 "[ . 1 . 2]" 1
121 1 8 LEU HA 1 23 LEU H 5.120 . 5.120 4.226 3.665 5.143 0.023 6 0 "[ . 1 . 2]" 1
122 1 8 LEU HB2 1 8 LEU MD2 3.430 . 3.430 2.292 2.158 2.413 . 0 0 "[ . 1 . 2]" 1
123 1 8 LEU HB2 1 9 GLU H 4.510 . 4.510 4.015 3.579 4.430 . 0 0 "[ . 1 . 2]" 1
124 1 8 LEU HB3 1 8 LEU MD2 3.560 . 3.560 3.157 3.103 3.187 . 0 0 "[ . 1 . 2]" 1
125 1 8 LEU HB3 1 9 GLU H 3.590 . 3.590 2.802 2.281 3.552 . 0 0 "[ . 1 . 2]" 1
126 1 8 LEU HB3 1 31 TRP HZ2 5.500 . 5.500 5.650 5.559 5.726 0.226 11 0 "[ . 1 . 2]" 1
127 1 8 LEU MD1 1 9 GLU H 3.350 . 3.350 2.773 2.360 3.351 0.001 2 0 "[ . 1 . 2]" 1
128 1 8 LEU MD1 1 20 ARG H 4.210 . 4.210 3.853 3.392 4.244 0.034 17 0 "[ . 1 . 2]" 1
129 1 8 LEU MD1 1 21 ALA HA 3.660 . 3.660 2.211 1.930 2.774 . 0 0 "[ . 1 . 2]" 1
130 1 8 LEU MD1 1 22 ARG H 3.810 . 3.810 3.417 2.824 3.830 0.020 6 0 "[ . 1 . 2]" 1
131 1 8 LEU MD1 1 31 TRP HH2 4.250 . 4.250 3.966 2.808 4.336 0.086 6 0 "[ . 1 . 2]" 1
132 1 8 LEU MD1 1 31 TRP HZ2 4.680 . 4.680 4.362 3.073 4.729 0.049 5 0 "[ . 1 . 2]" 1
133 1 8 LEU MD1 1 63 TRP HH2 4.900 . 4.900 4.484 3.471 4.920 0.020 4 0 "[ . 1 . 2]" 1
134 1 8 LEU MD1 1 63 TRP HZ3 3.600 . 3.600 3.059 2.548 3.537 . 0 0 "[ . 1 . 2]" 1
135 1 8 LEU MD2 1 9 GLU H 4.820 . 4.820 4.341 3.972 4.634 . 0 0 "[ . 1 . 2]" 1
136 1 8 LEU MD2 1 21 ALA HA 5.500 . 5.500 3.553 2.980 4.236 . 0 0 "[ . 1 . 2]" 1
137 1 8 LEU MD2 1 31 TRP HE1 5.310 . 5.310 3.731 2.960 4.079 . 0 0 "[ . 1 . 2]" 1
138 1 8 LEU MD2 1 31 TRP HH2 4.440 . 4.440 2.333 2.122 3.111 . 0 0 "[ . 1 . 2]" 1
139 1 8 LEU MD2 1 31 TRP HZ2 4.020 . 4.020 1.988 1.842 2.386 . 0 0 "[ . 1 . 2]" 1
140 1 8 LEU MD2 1 31 TRP HZ3 4.490 . 4.490 4.065 3.650 4.471 . 0 0 "[ . 1 . 2]" 1
141 1 8 LEU MD2 1 63 TRP HE3 4.540 . 4.540 4.340 3.597 4.612 0.072 11 0 "[ . 1 . 2]" 1
142 1 8 LEU MD2 1 63 TRP HH2 3.960 . 3.960 3.228 2.925 3.612 . 0 0 "[ . 1 . 2]" 1
143 1 8 LEU MD2 1 63 TRP HZ2 5.160 . 5.160 4.567 3.973 4.976 . 0 0 "[ . 1 . 2]" 1
144 1 8 LEU MD2 1 63 TRP HZ3 3.900 . 3.900 3.012 2.409 3.453 . 0 0 "[ . 1 . 2]" 1
145 1 8 LEU MD2 1 101 LEU QD 3.470 . 3.470 2.752 1.930 3.481 0.011 2 0 "[ . 1 . 2]" 1
146 1 8 LEU HG 1 9 GLU H 4.930 . 4.930 4.608 4.416 4.899 . 0 0 "[ . 1 . 2]" 1
147 1 8 LEU HG 1 63 TRP HE3 4.110 . 4.110 3.093 2.615 3.510 . 0 0 "[ . 1 . 2]" 1
148 1 9 GLU H 1 9 GLU QB 3.620 . 3.620 2.649 2.442 3.078 . 0 0 "[ . 1 . 2]" 1
149 1 9 GLU H 1 20 ARG H 4.310 . 4.310 3.211 2.999 3.423 . 0 0 "[ . 1 . 2]" 1
150 1 9 GLU H 1 21 ALA HA 4.510 . 4.510 3.565 3.170 3.840 . 0 0 "[ . 1 . 2]" 1
151 1 9 GLU H 1 22 ARG H 4.100 . 4.100 3.578 3.278 4.126 0.026 19 0 "[ . 1 . 2]" 1
152 1 9 GLU HA 1 10 LEU H 3.020 . 3.020 2.133 2.058 2.221 . 0 0 "[ . 1 . 2]" 1
153 1 9 GLU QB 1 10 LEU H 3.830 . 3.830 3.542 2.810 3.808 . 0 0 "[ . 1 . 2]" 1
154 1 9 GLU QB 1 20 ARG H 5.230 . 5.230 3.766 2.987 4.729 . 0 0 "[ . 1 . 2]" 1
155 1 9 GLU QG 1 10 LEU H 4.550 . 4.550 2.901 2.384 4.277 . 0 0 "[ . 1 . 2]" 1
156 1 10 LEU H 1 10 LEU HB2 3.410 . 3.410 2.587 2.476 2.698 . 0 0 "[ . 1 . 2]" 1
157 1 10 LEU H 1 10 LEU HB3 3.580 . 3.580 2.549 2.506 2.620 . 0 0 "[ . 1 . 2]" 1
158 1 10 LEU H 1 10 LEU MD2 4.320 . 4.320 4.153 4.056 4.218 . 0 0 "[ . 1 . 2]" 1
159 1 10 LEU H 1 11 ALA H 4.590 . 4.590 4.239 4.008 4.501 . 0 0 "[ . 1 . 2]" 1
160 1 10 LEU H 1 11 ALA MB 5.260 . 5.260 4.720 4.369 5.088 . 0 0 "[ . 1 . 2]" 1
161 1 10 LEU HA 1 10 LEU MD2 3.690 . 3.690 2.118 2.073 2.167 . 0 0 "[ . 1 . 2]" 1
162 1 10 LEU HA 1 11 ALA H 2.950 . 2.950 2.167 2.134 2.231 . 0 0 "[ . 1 . 2]" 1
163 1 10 LEU HA 1 20 ARG H 5.060 . 5.060 3.521 3.045 3.787 . 0 0 "[ . 1 . 2]" 1
164 1 10 LEU HB2 1 10 LEU MD2 3.290 . 3.290 2.394 2.296 2.471 . 0 0 "[ . 1 . 2]" 1
165 1 10 LEU HB3 1 11 ALA H 4.550 . 4.550 4.223 4.045 4.339 . 0 0 "[ . 1 . 2]" 1
166 1 10 LEU MD2 1 11 ALA H 3.790 . 3.790 3.087 2.527 3.520 . 0 0 "[ . 1 . 2]" 1
167 1 10 LEU MD2 1 18 CYS H 4.780 . 4.780 3.540 2.942 4.030 . 0 0 "[ . 1 . 2]" 1
168 1 11 ALA H 1 11 ALA MB 3.260 . 3.260 2.409 2.298 2.591 . 0 0 "[ . 1 . 2]" 1
169 1 11 ALA H 1 12 LEU H 4.800 . 4.800 4.349 4.123 4.513 . 0 0 "[ . 1 . 2]" 1
170 1 11 ALA H 1 12 LEU HA 5.120 . 5.120 4.799 4.613 5.078 . 0 0 "[ . 1 . 2]" 1
171 1 11 ALA H 1 12 LEU QD 4.230 . 4.230 4.214 3.902 4.310 0.080 1 0 "[ . 1 . 2]" 1
172 1 11 ALA H 1 18 CYS H 4.080 . 4.080 3.202 2.915 3.506 . 0 0 "[ . 1 . 2]" 1
173 1 11 ALA H 1 20 ARG H 4.690 . 4.690 3.775 2.986 4.253 . 0 0 "[ . 1 . 2]" 1
174 1 11 ALA H 1 20 ARG QB 5.340 . 5.340 4.655 3.115 5.312 . 0 0 "[ . 1 . 2]" 1
175 1 11 ALA HA 1 12 LEU H 2.950 . 2.950 2.172 2.060 2.293 . 0 0 "[ . 1 . 2]" 1
176 1 11 ALA MB 1 12 LEU H 3.180 . 3.180 2.872 2.492 3.225 0.045 6 0 "[ . 1 . 2]" 1
177 1 11 ALA MB 1 13 GLN H 5.000 . 5.000 4.297 3.877 4.752 . 0 0 "[ . 1 . 2]" 1
178 1 11 ALA MB 1 18 CYS H 4.740 . 4.740 3.825 3.417 4.397 . 0 0 "[ . 1 . 2]" 1
179 1 11 ALA MB 1 20 ARG H 5.020 . 5.020 4.012 3.065 4.502 . 0 0 "[ . 1 . 2]" 1
180 1 11 ALA MB 1 20 ARG HD2 4.830 . 4.830 3.245 2.143 4.873 0.043 18 0 "[ . 1 . 2]" 1
181 1 11 ALA MB 1 20 ARG QD 4.050 . 4.050 2.674 1.905 3.906 . 0 0 "[ . 1 . 2]" 1
182 1 11 ALA MB 1 20 ARG HD3 4.830 . 4.830 3.285 1.994 4.511 . 0 0 "[ . 1 . 2]" 1
183 1 12 LEU H 1 12 LEU HB2 3.940 . 3.940 2.507 2.411 2.623 . 0 0 "[ . 1 . 2]" 1
184 1 12 LEU H 1 12 LEU HB3 4.030 . 4.030 3.662 3.600 3.747 . 0 0 "[ . 1 . 2]" 1
185 1 12 LEU H 1 12 LEU QD 4.090 . 4.090 2.976 2.175 3.396 . 0 0 "[ . 1 . 2]" 1
186 1 12 LEU H 1 13 GLN H 4.400 . 4.400 4.133 3.827 4.307 . 0 0 "[ . 1 . 2]" 1
187 1 12 LEU HA 1 12 LEU QD 3.690 . 3.690 2.152 2.018 2.756 . 0 0 "[ . 1 . 2]" 1
188 1 12 LEU HA 1 13 GLN H 2.800 . 2.800 2.041 1.899 2.104 . 0 0 "[ . 1 . 2]" 1
189 1 12 LEU HA 1 16 GLN H 4.170 . 4.170 4.087 3.790 4.213 0.043 16 0 "[ . 1 . 2]" 1
190 1 12 LEU HA 1 18 CYS H 3.980 . 3.980 3.315 3.029 3.883 . 0 0 "[ . 1 . 2]" 1
191 1 12 LEU HB2 1 15 GLY H 5.060 . 5.060 4.551 3.901 4.966 . 0 0 "[ . 1 . 2]" 1
192 1 12 LEU HB3 1 13 GLN H 3.740 . 3.740 3.568 3.149 3.763 0.023 7 0 "[ . 1 . 2]" 1
193 1 12 LEU HB3 1 15 GLY H 4.370 . 4.370 3.247 2.745 3.868 . 0 0 "[ . 1 . 2]" 1
194 1 12 LEU HB3 1 16 GLN H 4.420 . 4.420 4.157 3.589 4.452 0.032 1 0 "[ . 1 . 2]" 1
195 1 12 LEU QD 1 13 GLN H 3.940 . 3.940 3.674 3.466 4.077 0.137 15 0 "[ . 1 . 2]" 1
196 1 12 LEU QD 1 15 GLY H 4.630 . 4.630 4.098 3.333 4.682 0.052 14 0 "[ . 1 . 2]" 1
197 1 12 LEU QD 1 15 GLY QA 4.310 . 4.310 3.272 2.770 4.055 . 0 0 "[ . 1 . 2]" 1
198 1 12 LEU QD 1 16 GLN H 4.150 . 4.150 4.145 3.970 4.207 0.057 15 0 "[ . 1 . 2]" 1
199 1 12 LEU QD 1 17 ARG H 3.980 . 3.980 3.744 3.300 4.061 0.081 5 0 "[ . 1 . 2]" 1
200 1 12 LEU QD 1 18 CYS H 3.710 . 3.710 3.367 3.029 3.730 0.020 16 0 "[ . 1 . 2]" 1
201 1 13 GLN H 1 13 GLN HB2 3.710 . 3.710 2.919 2.492 3.757 0.047 5 0 "[ . 1 . 2]" 1
202 1 13 GLN H 1 13 GLN QB 3.150 . 3.150 2.531 2.344 3.025 . 0 0 "[ . 1 . 2]" 1
203 1 13 GLN H 1 13 GLN HB3 3.710 . 3.710 3.054 2.481 3.725 0.015 14 0 "[ . 1 . 2]" 1
204 1 13 GLN H 1 13 GLN QG 4.550 . 4.550 3.369 2.091 4.215 . 0 0 "[ . 1 . 2]" 1
205 1 13 GLN H 1 16 GLN H 3.370 . 3.370 3.111 2.704 3.373 0.003 18 0 "[ . 1 . 2]" 1
206 1 13 GLN H 1 16 GLN QB 4.990 . 4.990 3.528 2.637 5.032 0.042 14 0 "[ . 1 . 2]" 1
207 1 14 ASP H 1 15 GLY H 4.820 . 4.820 2.627 2.448 3.384 . 0 0 "[ . 1 . 2]" 1
208 1 14 ASP HA 1 15 GLY H 3.470 . 3.470 2.876 2.278 3.080 . 0 0 "[ . 1 . 2]" 1
209 1 14 ASP QB 1 15 GLY H 4.340 . 4.340 3.769 3.617 4.043 . 0 0 "[ . 1 . 2]" 1
210 1 14 ASP QB 1 16 GLN H 5.140 . 5.140 3.602 3.259 4.564 . 0 0 "[ . 1 . 2]" 1
211 1 14 ASP HB2 1 15 GLY H 4.960 . 4.960 4.345 3.863 4.607 . 0 0 "[ . 1 . 2]" 1
212 1 14 ASP HB3 1 15 GLY H 4.960 . 4.960 4.192 3.855 4.502 . 0 0 "[ . 1 . 2]" 1
213 1 15 GLY H 1 16 GLN H 3.610 . 3.610 2.474 2.270 2.833 . 0 0 "[ . 1 . 2]" 1
214 1 16 GLN H 1 16 GLN HB2 3.840 . 3.840 2.793 2.368 3.842 0.002 14 0 "[ . 1 . 2]" 1
215 1 16 GLN H 1 16 GLN QB 3.060 . 3.060 2.459 2.241 3.038 . 0 0 "[ . 1 . 2]" 1
216 1 16 GLN H 1 16 GLN HB3 3.840 . 3.840 3.079 2.394 3.759 . 0 0 "[ . 1 . 2]" 1
217 1 16 GLN H 1 16 GLN HG2 5.400 . 5.400 3.483 2.231 4.701 . 0 0 "[ . 1 . 2]" 1
218 1 16 GLN H 1 16 GLN QG 4.680 . 4.680 3.113 2.211 4.059 . 0 0 "[ . 1 . 2]" 1
219 1 16 GLN H 1 16 GLN HG3 5.400 . 5.400 3.885 2.382 4.661 . 0 0 "[ . 1 . 2]" 1
220 1 16 GLN H 1 17 ARG H 4.680 . 4.680 4.437 4.277 4.535 . 0 0 "[ . 1 . 2]" 1
221 1 16 GLN HA 1 17 ARG H 2.850 . 2.850 2.181 1.972 2.543 . 0 0 "[ . 1 . 2]" 1
222 1 16 GLN QB 1 17 ARG H 3.620 . 3.620 3.184 2.149 3.658 0.038 7 0 "[ . 1 . 2]" 1
223 1 16 GLN QG 1 17 ARG H 4.680 . 4.680 3.522 2.491 4.682 0.002 20 0 "[ . 1 . 2]" 1
224 1 16 GLN HG2 1 17 ARG H 5.500 . 5.500 4.039 2.706 5.150 . 0 0 "[ . 1 . 2]" 1
225 1 16 GLN HG3 1 17 ARG H 5.500 . 5.500 4.039 2.546 5.492 . 0 0 "[ . 1 . 2]" 1
226 1 17 ARG H 1 17 ARG QB 3.450 . 3.450 2.544 2.244 2.907 . 0 0 "[ . 1 . 2]" 1
227 1 17 ARG HA 1 18 CYS H 2.850 . 2.850 2.141 2.070 2.226 . 0 0 "[ . 1 . 2]" 1
228 1 17 ARG QB 1 18 CYS H 3.850 . 3.850 3.440 3.020 3.870 0.020 4 0 "[ . 1 . 2]" 1
229 1 18 CYS H 1 18 CYS QB 3.650 . 3.650 2.717 2.382 3.143 . 0 0 "[ . 1 . 2]" 1
230 1 18 CYS H 1 19 VAL H 4.600 . 4.600 4.324 4.112 4.450 . 0 0 "[ . 1 . 2]" 1
231 1 18 CYS HA 1 19 VAL H 3.110 . 3.110 2.235 2.087 2.513 . 0 0 "[ . 1 . 2]" 1
232 1 18 CYS QB 1 19 VAL H 3.370 . 3.370 3.087 2.404 3.462 0.092 6 0 "[ . 1 . 2]" 1
233 1 18 CYS QB 1 100 LEU QD 4.990 . 4.990 2.534 1.893 3.827 . 0 0 "[ . 1 . 2]" 1
234 1 18 CYS HB2 1 19 VAL H 4.230 . 4.230 3.659 2.732 4.242 0.012 13 0 "[ . 1 . 2]" 1
235 1 18 CYS HB3 1 19 VAL H 4.230 . 4.230 3.563 2.448 4.128 . 0 0 "[ . 1 . 2]" 1
236 1 19 VAL H 1 19 VAL HB 4.040 . 4.040 3.004 2.480 3.811 . 0 0 "[ . 1 . 2]" 1
237 1 19 VAL H 1 19 VAL QG 3.470 . 3.470 2.241 1.900 2.740 . 0 0 "[ . 1 . 2]" 1
238 1 19 VAL H 1 20 ARG H 4.820 . 4.820 4.255 4.090 4.414 . 0 0 "[ . 1 . 2]" 1
239 1 19 VAL H 1 100 LEU MD1 4.590 . 4.590 4.428 3.369 4.635 0.045 19 0 "[ . 1 . 2]" 1
240 1 19 VAL H 1 100 LEU QD 3.760 . 3.760 3.243 2.808 3.525 . 0 0 "[ . 1 . 2]" 1
241 1 19 VAL H 1 100 LEU MD2 4.590 . 4.590 3.341 2.961 3.658 . 0 0 "[ . 1 . 2]" 1
242 1 19 VAL HA 1 19 VAL QG 3.150 . 3.150 2.183 2.124 2.276 . 0 0 "[ . 1 . 2]" 1
243 1 19 VAL HA 1 20 ARG H 3.040 . 3.040 2.117 2.062 2.201 . 0 0 "[ . 1 . 2]" 1
244 1 19 VAL HB 1 20 ARG H 4.230 . 4.230 3.920 3.146 4.266 0.036 16 0 "[ . 1 . 2]" 1
245 1 19 VAL HB 1 20 ARG HA 4.740 . 4.740 4.634 4.335 4.769 0.029 4 0 "[ . 1 . 2]" 1
246 1 19 VAL QG 1 20 ARG H 4.400 . 4.400 3.106 2.442 3.689 . 0 0 "[ . 1 . 2]" 1
247 1 20 ARG H 1 20 ARG QG 3.710 . 3.710 2.725 2.137 3.870 0.160 4 0 "[ . 1 . 2]" 1
248 1 20 ARG HA 1 20 ARG QB 2.580 . 2.580 2.250 2.166 2.412 . 0 0 "[ . 1 . 2]" 1
249 1 20 ARG HA 1 20 ARG QG 3.540 . 3.540 2.967 2.368 3.380 . 0 0 "[ . 1 . 2]" 1
250 1 20 ARG HA 1 21 ALA H 3.110 . 3.110 2.243 2.157 2.345 . 0 0 "[ . 1 . 2]" 1
251 1 20 ARG HA 1 100 LEU QB 4.240 . 4.240 4.186 3.928 4.327 0.087 11 0 "[ . 1 . 2]" 1
252 1 20 ARG HA 1 100 LEU QD 4.050 . 4.050 2.683 2.284 3.113 . 0 0 "[ . 1 . 2]" 1
253 1 20 ARG HA 1 101 LEU H 4.140 . 4.140 3.662 2.761 4.148 0.008 7 0 "[ . 1 . 2]" 1
254 1 20 ARG HA 1 101 LEU QD 3.500 . 3.500 2.811 2.377 3.167 . 0 0 "[ . 1 . 2]" 1
255 1 20 ARG HA 1 101 LEU HG 5.500 . 5.500 5.293 4.591 5.541 0.041 4 0 "[ . 1 . 2]" 1
256 1 20 ARG QB 1 20 ARG QD 3.250 . 3.250 2.228 2.004 2.392 . 0 0 "[ . 1 . 2]" 1
257 1 20 ARG QB 1 21 ALA H 4.170 . 4.170 2.783 2.266 3.645 . 0 0 "[ . 1 . 2]" 1
258 1 20 ARG QG 1 21 ALA H 4.740 . 4.740 3.526 2.377 4.131 . 0 0 "[ . 1 . 2]" 1
259 1 21 ALA H 1 21 ALA MB 3.640 . 3.640 2.250 2.200 2.338 . 0 0 "[ . 1 . 2]" 1
260 1 21 ALA H 1 100 LEU HA 4.360 . 4.360 3.482 3.217 4.213 . 0 0 "[ . 1 . 2]" 1
261 1 21 ALA H 1 100 LEU QD 4.040 . 4.040 4.005 3.696 4.136 0.096 14 0 "[ . 1 . 2]" 1
262 1 21 ALA H 1 101 LEU H 4.980 . 4.980 4.642 3.996 5.013 0.033 15 0 "[ . 1 . 2]" 1
263 1 21 ALA HA 1 22 ARG H 2.880 . 2.880 2.145 2.072 2.217 . 0 0 "[ . 1 . 2]" 1
264 1 21 ALA MB 1 22 ARG H 3.980 . 3.980 3.188 2.885 3.339 . 0 0 "[ . 1 . 2]" 1
265 1 22 ARG H 1 22 ARG QB 3.380 . 3.380 2.334 2.166 2.972 . 0 0 "[ . 1 . 2]" 1
266 1 22 ARG H 1 23 LEU H 3.090 . 3.090 2.307 2.062 2.567 . 0 0 "[ . 1 . 2]" 1
267 1 22 ARG HA 1 22 ARG QG 3.480 . 3.480 2.692 2.408 3.376 . 0 0 "[ . 1 . 2]" 1
268 1 22 ARG QB 1 23 LEU H 3.260 . 3.260 2.560 2.111 3.398 0.138 20 0 "[ . 1 . 2]" 1
269 1 22 ARG QG 1 23 LEU H 4.040 . 4.040 3.600 2.301 4.119 0.079 5 0 "[ . 1 . 2]" 1
270 1 23 LEU H 1 23 LEU QB 3.150 . 3.150 2.576 2.153 3.100 . 0 0 "[ . 1 . 2]" 1
271 1 23 LEU H 1 23 LEU QD 3.500 . 3.500 2.792 1.838 3.627 0.127 1 0 "[ . 1 . 2]" 1
272 1 23 LEU H 1 24 SER H 4.730 . 4.730 4.417 4.319 4.498 . 0 0 "[ . 1 . 2]" 1
273 1 23 LEU HA 1 24 SER H 3.020 . 3.020 2.401 2.125 2.630 . 0 0 "[ . 1 . 2]" 1
274 1 23 LEU QB 1 23 LEU QD 2.430 . 2.430 1.980 1.893 2.092 . 0 0 "[ . 1 . 2]" 1
275 1 23 LEU QB 1 24 SER H 3.090 . 3.090 2.578 2.019 3.152 0.062 1 0 "[ . 1 . 2]" 1
276 1 23 LEU QD 1 24 SER H 3.980 . 3.980 3.386 2.592 4.008 0.028 9 0 "[ . 1 . 2]" 1
277 1 24 SER H 1 24 SER QB 3.070 . 3.070 2.428 2.235 2.629 . 0 0 "[ . 1 . 2]" 1
278 1 24 SER H 1 25 LEU H 4.520 . 4.520 4.348 4.174 4.489 . 0 0 "[ . 1 . 2]" 1
279 1 24 SER HA 1 25 LEU H 3.340 . 3.340 2.115 2.048 2.165 . 0 0 "[ . 1 . 2]" 1
280 1 24 SER QB 1 25 LEU H 3.780 . 3.780 3.461 3.167 3.829 0.049 10 0 "[ . 1 . 2]" 1
281 1 25 LEU H 1 25 LEU HB2 4.100 . 4.100 2.464 2.200 2.586 . 0 0 "[ . 1 . 2]" 1
282 1 25 LEU H 1 25 LEU QB 3.480 . 3.480 2.415 1.997 2.534 . 0 0 "[ . 1 . 2]" 1
283 1 25 LEU H 1 25 LEU HB3 4.100 . 4.100 3.550 2.290 3.678 . 0 0 "[ . 1 . 2]" 1
284 1 25 LEU H 1 25 LEU MD1 4.720 . 4.720 3.634 2.155 3.820 . 0 0 "[ . 1 . 2]" 1
285 1 25 LEU H 1 25 LEU QD 3.240 . 3.240 2.820 2.085 3.438 0.198 3 0 "[ . 1 . 2]" 1
286 1 25 LEU H 1 25 LEU MD2 4.720 . 4.720 3.098 2.100 4.183 . 0 0 "[ . 1 . 2]" 1
287 1 25 LEU H 1 26 THR H 4.770 . 4.770 4.414 4.250 4.597 . 0 0 "[ . 1 . 2]" 1
288 1 25 LEU H 1 95 VAL H 4.250 . 4.250 3.397 2.793 3.818 . 0 0 "[ . 1 . 2]" 1
289 1 25 LEU H 1 95 VAL QG 4.910 . 4.910 2.919 2.295 3.868 . 0 0 "[ . 1 . 2]" 1
290 1 25 LEU QB 1 25 LEU QD 2.750 . 2.750 1.982 1.848 2.106 . 0 0 "[ . 1 . 2]" 1
291 1 25 LEU QB 1 26 THR H 3.810 . 3.810 3.260 2.747 3.827 0.017 3 0 "[ . 1 . 2]" 1
292 1 25 LEU QB 1 95 VAL H 4.650 . 4.650 2.921 2.649 3.242 . 0 0 "[ . 1 . 2]" 1
293 1 25 LEU HB2 1 26 THR H 4.350 . 4.350 4.223 3.874 4.397 0.047 3 0 "[ . 1 . 2]" 1
294 1 25 LEU HB3 1 26 THR H 4.350 . 4.350 3.400 2.810 4.209 . 0 0 "[ . 1 . 2]" 1
295 1 25 LEU QD 1 26 THR H 4.250 . 4.250 3.595 3.060 4.257 0.007 12 0 "[ . 1 . 2]" 1
296 1 25 LEU QD 1 31 TRP HE1 5.240 . 5.240 4.454 3.919 4.851 . 0 0 "[ . 1 . 2]" 1
297 1 25 LEU QD 1 31 TRP HE3 4.840 . 4.840 4.855 4.658 4.964 0.124 20 0 "[ . 1 . 2]" 1
298 1 25 LEU QD 1 31 TRP HH2 3.180 . 3.180 1.996 1.847 2.373 . 0 0 "[ . 1 . 2]" 1
299 1 25 LEU QD 1 31 TRP HZ2 3.590 . 3.590 2.491 2.247 2.876 . 0 0 "[ . 1 . 2]" 1
300 1 25 LEU QD 1 31 TRP HZ3 3.440 . 3.440 3.367 3.081 3.539 0.099 12 0 "[ . 1 . 2]" 1
301 1 25 LEU MD1 1 31 TRP HH2 4.360 . 4.360 2.157 1.916 3.763 . 0 0 "[ . 1 . 2]" 1
302 1 25 LEU MD1 1 31 TRP HZ2 4.090 . 4.090 3.142 2.280 3.739 . 0 0 "[ . 1 . 2]" 1
303 1 25 LEU MD2 1 31 TRP HH2 4.360 . 4.360 2.762 1.953 3.674 . 0 0 "[ . 1 . 2]" 1
304 1 25 LEU MD2 1 31 TRP HZ2 4.090 . 4.090 3.031 2.276 4.126 0.036 13 0 "[ . 1 . 2]" 1
305 1 26 THR H 1 26 THR HB 3.630 . 3.630 3.221 2.283 3.583 . 0 0 "[ . 1 . 2]" 1
306 1 26 THR H 1 26 THR MG 3.450 . 3.450 2.590 2.079 3.597 0.147 13 0 "[ . 1 . 2]" 1
307 1 26 THR H 1 27 GLU H 4.790 . 4.790 4.491 4.380 4.566 . 0 0 "[ . 1 . 2]" 1
308 1 26 THR H 1 29 LEU QD 3.570 . 3.570 2.898 2.474 3.498 . 0 0 "[ . 1 . 2]" 1
309 1 26 THR HA 1 27 GLU H 2.910 . 2.910 2.301 2.125 2.416 . 0 0 "[ . 1 . 2]" 1
310 1 26 THR HA 1 94 VAL QG 3.980 . 3.980 2.383 1.951 3.759 . 0 0 "[ . 1 . 2]" 1
311 1 26 THR HB 1 27 GLU H 3.950 . 3.950 3.204 2.513 3.995 0.045 3 0 "[ . 1 . 2]" 1
312 1 26 THR MG 1 27 GLU H 4.190 . 4.190 3.395 2.206 3.737 . 0 0 "[ . 1 . 2]" 1
313 1 27 GLU H 1 27 GLU HB2 3.690 . 3.690 3.115 2.465 3.632 . 0 0 "[ . 1 . 2]" 1
314 1 27 GLU H 1 27 GLU QB 3.070 . 3.070 2.534 2.420 2.708 . 0 0 "[ . 1 . 2]" 1
315 1 27 GLU H 1 27 GLU HB3 3.690 . 3.690 3.059 2.499 3.595 . 0 0 "[ . 1 . 2]" 1
316 1 27 GLU H 1 27 GLU QG 3.610 . 3.610 2.181 1.861 3.049 . 0 0 "[ . 1 . 2]" 1
317 1 27 GLU H 1 28 GLY H 4.880 . 4.880 4.499 4.405 4.575 . 0 0 "[ . 1 . 2]" 1
318 1 27 GLU H 1 29 LEU H 5.500 . 5.500 4.630 4.426 4.959 . 0 0 "[ . 1 . 2]" 1
319 1 27 GLU H 1 94 VAL QG 3.670 . 3.670 2.586 1.819 3.684 0.014 2 0 "[ . 1 . 2]" 1
320 1 27 GLU HA 1 28 GLY H 2.790 . 2.790 2.152 2.082 2.260 . 0 0 "[ . 1 . 2]" 1
321 1 27 GLU HA 1 29 LEU H 4.020 . 4.020 3.372 2.938 3.609 . 0 0 "[ . 1 . 2]" 1
322 1 27 GLU HA 1 91 VAL H 5.500 . 5.500 4.833 4.035 5.525 0.025 17 0 "[ . 1 . 2]" 1
323 1 27 GLU HA 1 91 VAL HB 5.500 . 5.500 3.082 2.071 3.820 . 0 0 "[ . 1 . 2]" 1
324 1 27 GLU HA 1 91 VAL QG 3.780 . 3.780 2.765 2.260 3.227 . 0 0 "[ . 1 . 2]" 1
325 1 28 GLY H 1 29 LEU H 3.490 . 3.490 2.480 2.236 2.766 . 0 0 "[ . 1 . 2]" 1
326 1 28 GLY H 1 91 VAL H 4.450 . 4.450 3.813 3.547 4.284 . 0 0 "[ . 1 . 2]" 1
327 1 28 GLY H 1 91 VAL HB 4.000 . 4.000 3.152 2.658 3.517 . 0 0 "[ . 1 . 2]" 1
328 1 28 GLY H 1 91 VAL QG 3.860 . 3.860 3.670 3.406 3.926 0.066 10 0 "[ . 1 . 2]" 1
329 1 29 LEU H 1 29 LEU HB2 3.390 . 3.390 2.579 2.482 2.773 . 0 0 "[ . 1 . 2]" 1
330 1 29 LEU H 1 29 LEU QB 2.850 . 2.850 2.256 2.207 2.326 . 0 0 "[ . 1 . 2]" 1
331 1 29 LEU H 1 29 LEU HB3 3.390 . 3.390 2.495 2.454 2.559 . 0 0 "[ . 1 . 2]" 1
332 1 29 LEU H 1 30 SER H 4.540 . 4.540 4.495 4.377 4.578 0.038 1 0 "[ . 1 . 2]" 1
333 1 29 LEU H 1 91 VAL H 4.750 . 4.750 3.924 3.348 4.792 0.042 10 0 "[ . 1 . 2]" 1
334 1 29 LEU H 1 91 VAL HB 3.760 . 3.760 2.894 2.684 3.703 . 0 0 "[ . 1 . 2]" 1
335 1 29 LEU H 1 91 VAL QG 3.750 . 3.750 3.521 3.281 3.754 0.004 16 0 "[ . 1 . 2]" 1
336 1 29 LEU HA 1 29 LEU QD 4.220 . 4.220 2.102 2.051 2.167 . 0 0 "[ . 1 . 2]" 1
337 1 29 LEU HA 1 29 LEU HG 2.960 . 2.960 3.008 2.984 3.049 0.089 7 0 "[ . 1 . 2]" 1
338 1 29 LEU HA 1 30 SER H 2.840 . 2.840 2.152 2.078 2.240 . 0 0 "[ . 1 . 2]" 1
339 1 29 LEU QB 1 91 VAL H 5.340 . 5.340 3.839 3.490 4.981 . 0 0 "[ . 1 . 2]" 1
340 1 29 LEU QD 1 30 SER H 4.240 . 4.240 2.482 2.082 2.715 . 0 0 "[ . 1 . 2]" 1
341 1 29 LEU HG 1 30 SER H 3.140 . 3.140 2.890 2.485 3.168 0.028 5 0 "[ . 1 . 2]" 1
342 1 30 SER H 1 30 SER HB2 4.040 . 4.040 3.111 2.806 3.859 . 0 0 "[ . 1 . 2]" 1
343 1 30 SER H 1 30 SER QB 3.380 . 3.380 2.843 2.499 3.157 . 0 0 "[ . 1 . 2]" 1
344 1 30 SER H 1 30 SER HB3 4.040 . 4.040 3.594 2.669 3.881 . 0 0 "[ . 1 . 2]" 1
345 1 30 SER H 1 31 TRP H 4.730 . 4.730 4.290 4.195 4.374 . 0 0 "[ . 1 . 2]" 1
346 1 30 SER HA 1 31 TRP H 2.990 . 2.990 2.260 2.148 2.441 . 0 0 "[ . 1 . 2]" 1
347 1 30 SER HA 1 31 TRP HE3 4.790 . 4.790 3.357 2.936 3.911 . 0 0 "[ . 1 . 2]" 1
348 1 30 SER HA 1 89 CYS H 5.500 . 5.500 4.895 4.449 5.347 . 0 0 "[ . 1 . 2]" 1
349 1 30 SER HA 1 90 ARG HA 3.750 . 3.750 2.240 2.017 2.937 . 0 0 "[ . 1 . 2]" 1
350 1 30 SER HA 1 91 VAL H 4.390 . 4.390 3.207 2.857 3.882 . 0 0 "[ . 1 . 2]" 1
351 1 30 SER QB 1 31 TRP H 3.260 . 3.260 2.727 2.318 3.338 0.078 15 0 "[ . 1 . 2]" 1
352 1 30 SER QB 1 88 TRP HE3 3.930 . 3.930 3.635 3.107 3.968 0.038 5 0 "[ . 1 . 2]" 1
353 1 30 SER QB 1 89 CYS H 4.760 . 4.760 4.159 3.764 4.732 . 0 0 "[ . 1 . 2]" 1
354 1 30 SER QB 1 90 ARG H 4.780 . 4.780 4.646 4.459 4.833 0.053 12 0 "[ . 1 . 2]" 1
355 1 30 SER QB 1 90 ARG HA 2.740 . 2.740 2.718 2.438 2.813 0.073 11 0 "[ . 1 . 2]" 1
356 1 30 SER QB 1 90 ARG QB 3.630 . 3.630 3.077 2.217 3.676 0.046 5 0 "[ . 1 . 2]" 1
357 1 30 SER QB 1 91 VAL H 4.570 . 4.570 4.180 3.643 4.440 . 0 0 "[ . 1 . 2]" 1
358 1 31 TRP H 1 31 TRP QB 3.580 . 3.580 2.364 2.305 2.462 . 0 0 "[ . 1 . 2]" 1
359 1 31 TRP H 1 31 TRP HE3 3.790 . 3.790 2.624 2.272 2.899 . 0 0 "[ . 1 . 2]" 1
360 1 31 TRP H 1 32 GLY H 5.000 . 5.000 4.478 4.414 4.515 . 0 0 "[ . 1 . 2]" 1
361 1 31 TRP H 1 88 TRP HE3 4.860 . 4.860 4.701 4.434 4.877 0.017 20 0 "[ . 1 . 2]" 1
362 1 31 TRP H 1 89 CYS H 3.800 . 3.800 3.283 2.841 3.553 . 0 0 "[ . 1 . 2]" 1
363 1 31 TRP H 1 89 CYS QB 4.200 . 4.200 3.195 2.712 4.233 0.033 18 0 "[ . 1 . 2]" 1
364 1 31 TRP H 1 90 ARG HA 4.120 . 4.120 3.648 3.350 4.125 0.005 10 0 "[ . 1 . 2]" 1
365 1 31 TRP HA 1 31 TRP HD1 4.050 . 4.050 3.128 2.891 3.388 . 0 0 "[ . 1 . 2]" 1
366 1 31 TRP HA 1 32 GLY H 3.090 . 3.090 2.510 2.380 2.598 . 0 0 "[ . 1 . 2]" 1
367 1 31 TRP HA 1 34 PHE QE 5.500 . 5.500 5.199 4.963 5.397 . 0 0 "[ . 1 . 2]" 1
368 1 31 TRP QB 1 31 TRP HE3 3.610 . 3.610 2.581 2.451 2.706 . 0 0 "[ . 1 . 2]" 1
369 1 31 TRP QB 1 32 GLY H 3.300 . 3.300 2.162 2.072 2.297 . 0 0 "[ . 1 . 2]" 1
370 1 31 TRP QB 1 34 PHE QD 5.080 . 5.080 4.396 4.228 4.685 . 0 0 "[ . 1 . 2]" 1
371 1 31 TRP QB 1 34 PHE QE 3.580 . 3.580 2.587 2.317 2.854 . 0 0 "[ . 1 . 2]" 1
372 1 31 TRP QB 1 89 CYS H 4.670 . 4.670 3.311 2.883 3.608 . 0 0 "[ . 1 . 2]" 1
373 1 31 TRP HB2 1 32 GLY H 3.780 . 3.780 3.530 3.423 3.684 . 0 0 "[ . 1 . 2]" 1
374 1 31 TRP HB2 1 34 PHE QE 4.180 . 4.180 2.703 2.401 3.005 . 0 0 "[ . 1 . 2]" 1
375 1 31 TRP HB2 1 34 PHE HZ 4.350 . 4.350 2.560 2.181 3.166 . 0 0 "[ . 1 . 2]" 1
376 1 31 TRP HB2 1 63 TRP HE1 5.500 . 5.500 5.052 4.464 5.514 0.014 4 0 "[ . 1 . 2]" 1
377 1 31 TRP HB2 1 63 TRP HZ2 4.150 . 4.150 3.421 3.138 3.664 . 0 0 "[ . 1 . 2]" 1
378 1 31 TRP HB3 1 32 GLY H 3.780 . 3.780 2.182 2.089 2.324 . 0 0 "[ . 1 . 2]" 1
379 1 31 TRP HB3 1 34 PHE QE 4.180 . 4.180 3.316 2.985 3.639 . 0 0 "[ . 1 . 2]" 1
380 1 31 TRP HB3 1 34 PHE HZ 4.350 . 4.350 2.409 2.233 2.580 . 0 0 "[ . 1 . 2]" 1
381 1 31 TRP HB3 1 63 TRP HE1 5.500 . 5.500 4.922 4.496 5.373 . 0 0 "[ . 1 . 2]" 1
382 1 31 TRP HB3 1 63 TRP HZ2 4.150 . 4.150 4.065 3.878 4.191 0.041 3 0 "[ . 1 . 2]" 1
383 1 31 TRP HD1 1 32 GLY H 4.830 . 4.830 3.600 3.184 3.828 . 0 0 "[ . 1 . 2]" 1
384 1 31 TRP HD1 1 34 PHE QE 5.500 . 5.500 4.833 4.300 5.472 . 0 0 "[ . 1 . 2]" 1
385 1 31 TRP HD1 1 34 PHE HZ 5.480 . 5.480 4.090 3.577 4.734 . 0 0 "[ . 1 . 2]" 1
386 1 31 TRP HE3 1 34 PHE QE 5.380 . 5.380 4.170 3.768 4.581 . 0 0 "[ . 1 . 2]" 1
387 1 31 TRP HE3 1 63 TRP HH2 4.220 . 4.220 3.495 2.936 3.998 . 0 0 "[ . 1 . 2]" 1
388 1 31 TRP HE3 1 63 TRP HZ2 4.510 . 4.510 3.537 2.942 3.957 . 0 0 "[ . 1 . 2]" 1
389 1 31 TRP HE3 1 64 LEU QD 5.180 . 5.180 4.727 4.360 5.136 . 0 0 "[ . 1 . 2]" 1
390 1 31 TRP HE3 1 89 CYS H 5.080 . 5.080 4.182 3.848 4.492 . 0 0 "[ . 1 . 2]" 1
391 1 31 TRP HE3 1 89 CYS HB2 4.000 . 4.000 3.623 1.962 4.015 0.015 20 0 "[ . 1 . 2]" 1
392 1 31 TRP HE3 1 89 CYS QB 3.280 . 3.280 2.242 1.887 2.818 . 0 0 "[ . 1 . 2]" 1
393 1 31 TRP HE3 1 89 CYS HB3 4.000 . 4.000 2.381 2.057 4.061 0.061 18 0 "[ . 1 . 2]" 1
394 1 31 TRP HH2 1 101 LEU QD 4.660 . 4.660 3.481 2.923 3.937 . 0 0 "[ . 1 . 2]" 1
395 1 31 TRP HZ2 1 63 TRP HH2 4.970 . 4.970 4.114 3.532 4.839 . 0 0 "[ . 1 . 2]" 1
396 1 31 TRP HZ3 1 63 TRP HH2 4.800 . 4.800 2.936 2.556 3.463 . 0 0 "[ . 1 . 2]" 1
397 1 31 TRP HZ3 1 89 CYS QB 4.670 . 4.670 3.873 3.169 4.221 . 0 0 "[ . 1 . 2]" 1
398 1 31 TRP HZ3 1 101 LEU QD 5.350 . 5.350 4.141 3.458 4.503 . 0 0 "[ . 1 . 2]" 1
399 1 32 GLY H 1 34 PHE QE 4.790 . 4.790 4.482 4.125 4.677 . 0 0 "[ . 1 . 2]" 1
400 1 32 GLY H 1 34 PHE HZ 4.410 . 4.410 4.243 3.886 4.437 0.027 8 0 "[ . 1 . 2]" 1
401 1 32 GLY HA2 1 33 PRO HA 4.590 . 4.590 4.352 4.315 4.396 . 0 0 "[ . 1 . 2]" 1
402 1 32 GLY HA2 1 88 TRP HE3 4.330 . 4.330 3.551 3.147 4.364 0.034 19 0 "[ . 1 . 2]" 1
403 1 33 PRO HA 1 34 PHE H 3.250 . 3.250 2.090 2.058 2.127 . 0 0 "[ . 1 . 2]" 1
404 1 33 PRO HA 1 34 PHE QD 4.670 . 4.670 3.942 3.626 4.199 . 0 0 "[ . 1 . 2]" 1
405 1 33 PRO HA 1 88 TRP HA 5.500 . 5.500 3.143 2.722 3.410 . 0 0 "[ . 1 . 2]" 1
406 1 33 PRO HA 1 88 TRP HB3 5.160 . 5.160 4.779 4.504 4.986 . 0 0 "[ . 1 . 2]" 1
407 1 33 PRO HA 1 88 TRP HE3 5.240 . 5.240 4.478 4.172 4.765 . 0 0 "[ . 1 . 2]" 1
408 1 33 PRO HA 1 88 TRP HZ2 5.500 . 5.500 4.915 4.552 5.323 . 0 0 "[ . 1 . 2]" 1
409 1 33 PRO HB2 1 34 PHE H 3.930 . 3.930 3.528 3.169 3.671 . 0 0 "[ . 1 . 2]" 1
410 1 33 PRO HB2 1 88 TRP HE1 5.110 . 5.110 4.584 4.182 5.115 0.005 2 0 "[ . 1 . 2]" 1
411 1 33 PRO HB2 1 88 TRP HZ2 4.850 . 4.850 4.593 4.333 4.871 0.021 10 0 "[ . 1 . 2]" 1
412 1 33 PRO HB3 1 34 PHE H 4.100 . 4.100 3.943 3.715 4.087 . 0 0 "[ . 1 . 2]" 1
413 1 33 PRO HB3 1 88 TRP HZ2 4.960 . 4.960 3.068 2.738 3.428 . 0 0 "[ . 1 . 2]" 1
414 1 33 PRO HB3 1 88 TRP HZ3 5.380 . 5.380 5.068 4.681 5.405 0.025 8 0 "[ . 1 . 2]" 1
415 1 33 PRO QD 1 88 TRP HH2 3.950 . 3.950 2.797 2.603 3.022 . 0 0 "[ . 1 . 2]" 1
416 1 33 PRO QD 1 88 TRP HZ2 4.650 . 4.650 3.686 3.362 4.042 . 0 0 "[ . 1 . 2]" 1
417 1 33 PRO QD 1 88 TRP HZ3 5.350 . 5.350 3.046 2.678 3.419 . 0 0 "[ . 1 . 2]" 1
418 1 33 PRO HD2 1 88 TRP HH2 4.640 . 4.640 4.394 4.135 4.648 0.008 18 0 "[ . 1 . 2]" 1
419 1 33 PRO HD2 1 88 TRP HZ2 5.500 . 5.500 5.277 4.936 5.526 0.026 14 0 "[ . 1 . 2]" 1
420 1 33 PRO HD3 1 88 TRP HH2 4.640 . 4.640 2.831 2.631 3.065 . 0 0 "[ . 1 . 2]" 1
421 1 33 PRO HD3 1 88 TRP HZ2 5.500 . 5.500 3.764 3.421 4.167 . 0 0 "[ . 1 . 2]" 1
422 1 33 PRO QG 1 88 TRP HZ2 5.210 . 5.210 3.276 3.071 3.590 . 0 0 "[ . 1 . 2]" 1
423 1 34 PHE H 1 34 PHE HB2 3.940 . 3.940 2.606 2.534 2.695 . 0 0 "[ . 1 . 2]" 1
424 1 34 PHE H 1 34 PHE QB 3.350 . 3.350 2.556 2.491 2.640 . 0 0 "[ . 1 . 2]" 1
425 1 34 PHE H 1 34 PHE HB3 3.940 . 3.940 3.698 3.655 3.783 . 0 0 "[ . 1 . 2]" 1
426 1 34 PHE H 1 34 PHE QD 3.490 . 3.490 2.687 2.304 2.920 . 0 0 "[ . 1 . 2]" 1
427 1 34 PHE H 1 86 ALA MB 4.260 . 4.260 3.472 3.097 3.880 . 0 0 "[ . 1 . 2]" 1
428 1 34 PHE H 1 87 LEU QD 5.440 . 5.440 4.380 4.063 4.583 . 0 0 "[ . 1 . 2]" 1
429 1 34 PHE HA 1 34 PHE QD 3.720 . 3.720 2.812 2.659 3.050 . 0 0 "[ . 1 . 2]" 1
430 1 34 PHE HA 1 35 TYR H 3.050 . 3.050 2.354 2.229 2.571 . 0 0 "[ . 1 . 2]" 1
431 1 34 PHE QB 1 35 TYR H 4.050 . 4.050 2.615 2.311 3.087 . 0 0 "[ . 1 . 2]" 1
432 1 34 PHE QB 1 64 LEU QD 4.330 . 4.330 2.575 2.260 2.924 . 0 0 "[ . 1 . 2]" 1
433 1 34 PHE QB 1 87 LEU H 4.280 . 4.280 3.570 3.217 3.848 . 0 0 "[ . 1 . 2]" 1
434 1 34 PHE QD 1 35 TYR H 4.320 . 4.320 4.047 3.856 4.317 . 0 0 "[ . 1 . 2]" 1
435 1 34 PHE QD 1 64 LEU MD1 4.260 . 4.260 2.547 2.201 3.050 . 0 0 "[ . 1 . 2]" 1
436 1 34 PHE QD 1 64 LEU QD 3.520 . 3.520 2.497 2.184 2.985 . 0 0 "[ . 1 . 2]" 1
437 1 34 PHE QD 1 64 LEU MD2 4.260 . 4.260 3.658 3.404 4.247 . 0 0 "[ . 1 . 2]" 1
438 1 34 PHE QD 1 80 ILE MG 5.120 . 5.120 3.881 3.367 4.882 . 0 0 "[ . 1 . 2]" 1
439 1 34 PHE QD 1 87 LEU H 4.680 . 4.680 4.501 4.093 4.688 0.008 11 0 "[ . 1 . 2]" 1
440 1 34 PHE QD 1 87 LEU HB2 3.480 . 3.480 2.930 2.829 3.356 . 0 0 "[ . 1 . 2]" 1
441 1 34 PHE QD 1 87 LEU QB 2.710 . 2.710 2.729 2.623 2.763 0.053 7 0 "[ . 1 . 2]" 1
442 1 34 PHE QD 1 87 LEU HB3 3.480 . 3.480 3.348 2.757 3.498 0.018 20 0 "[ . 1 . 2]" 1
443 1 34 PHE QD 1 87 LEU QD 4.940 . 4.940 4.032 3.940 4.227 . 0 0 "[ . 1 . 2]" 1
444 1 34 PHE QD 1 88 TRP HA 4.090 . 4.090 3.212 2.904 3.378 . 0 0 "[ . 1 . 2]" 1
445 1 34 PHE QD 1 89 CYS H 5.500 . 5.500 3.811 3.317 4.359 . 0 0 "[ . 1 . 2]" 1
446 1 34 PHE QE 1 63 TRP HE1 4.080 . 4.080 2.393 1.888 2.768 . 0 0 "[ . 1 . 2]" 1
447 1 34 PHE QE 1 63 TRP HZ2 4.330 . 4.330 3.391 2.934 3.804 . 0 0 "[ . 1 . 2]" 1
448 1 34 PHE QE 1 64 LEU MD1 4.010 . 4.010 3.418 3.033 3.703 . 0 0 "[ . 1 . 2]" 1
449 1 34 PHE QE 1 64 LEU QD 3.310 . 3.310 2.878 2.653 3.339 0.029 13 0 "[ . 1 . 2]" 1
450 1 34 PHE QE 1 64 LEU MD2 4.010 . 4.010 3.116 2.774 3.797 . 0 0 "[ . 1 . 2]" 1
451 1 34 PHE QE 1 88 TRP HA 4.470 . 4.470 3.558 3.174 3.694 . 0 0 "[ . 1 . 2]" 1
452 1 34 PHE QE 1 88 TRP HB3 5.500 . 5.500 5.396 5.008 5.560 0.060 4 0 "[ . 1 . 2]" 1
453 1 34 PHE QE 1 89 CYS H 3.380 . 3.380 2.694 2.317 3.304 . 0 0 "[ . 1 . 2]" 1
454 1 34 PHE QE 1 89 CYS HB2 4.430 . 4.430 2.543 2.113 4.433 0.003 18 0 "[ . 1 . 2]" 1
455 1 34 PHE QE 1 89 CYS QB 3.830 . 3.830 2.221 1.906 3.555 . 0 0 "[ . 1 . 2]" 1
456 1 34 PHE QE 1 89 CYS HB3 4.430 . 4.430 2.541 2.082 4.260 . 0 0 "[ . 1 . 2]" 1
457 1 34 PHE HZ 1 63 TRP HE1 3.770 . 3.770 2.694 2.238 3.052 . 0 0 "[ . 1 . 2]" 1
458 1 34 PHE HZ 1 63 TRP HZ2 3.960 . 3.960 2.506 2.139 2.932 . 0 0 "[ . 1 . 2]" 1
459 1 34 PHE HZ 1 64 LEU MD1 4.710 . 4.710 4.553 4.079 4.757 0.047 16 0 "[ . 1 . 2]" 1
460 1 34 PHE HZ 1 64 LEU QD 4.110 . 4.110 3.525 2.991 4.102 . 0 0 "[ . 1 . 2]" 1
461 1 34 PHE HZ 1 64 LEU MD2 4.710 . 4.710 3.687 3.049 4.500 . 0 0 "[ . 1 . 2]" 1
462 1 35 TYR H 1 35 TYR HB2 3.220 . 3.220 2.520 2.388 2.696 . 0 0 "[ . 1 . 2]" 1
463 1 35 TYR H 1 35 TYR HB3 3.920 . 3.920 3.679 3.616 3.795 . 0 0 "[ . 1 . 2]" 1
464 1 35 TYR H 1 35 TYR QD 4.200 . 4.200 2.992 2.607 3.696 . 0 0 "[ . 1 . 2]" 1
465 1 35 TYR H 1 36 GLY H 4.370 . 4.370 4.264 3.937 4.428 0.058 15 0 "[ . 1 . 2]" 1
466 1 35 TYR HA 1 35 TYR QD 4.220 . 4.220 2.646 2.326 2.987 . 0 0 "[ . 1 . 2]" 1
467 1 35 TYR HA 1 35 TYR QE 5.070 . 5.070 4.480 4.211 4.752 . 0 0 "[ . 1 . 2]" 1
468 1 35 TYR HA 1 36 GLY H 2.960 . 2.960 2.070 1.936 2.231 . 0 0 "[ . 1 . 2]" 1
469 1 35 TYR HA 1 87 LEU QD 5.320 . 5.320 4.106 3.220 4.775 . 0 0 "[ . 1 . 2]" 1
470 1 35 TYR HB2 1 36 GLY H 4.670 . 4.670 4.265 3.897 4.514 . 0 0 "[ . 1 . 2]" 1
471 1 35 TYR HB3 1 36 GLY H 4.000 . 4.000 3.407 2.738 3.878 . 0 0 "[ . 1 . 2]" 1
472 1 35 TYR QD 1 36 GLY H 4.560 . 4.560 3.920 2.948 4.479 . 0 0 "[ . 1 . 2]" 1
473 1 35 TYR QD 1 86 ALA MB 5.500 . 5.500 4.147 2.860 4.988 . 0 0 "[ . 1 . 2]" 1
474 1 35 TYR QE 1 86 ALA MB 5.500 . 5.500 3.916 2.455 5.563 0.063 5 0 "[ . 1 . 2]" 1
475 1 36 GLY H 1 37 SER H 4.440 . 4.440 4.216 4.018 4.327 . 0 0 "[ . 1 . 2]" 1
476 1 36 GLY H 1 58 VAL MG1 5.010 . 5.010 4.422 4.048 5.016 0.006 2 0 "[ . 1 . 2]" 1
477 1 36 GLY H 1 87 LEU H 4.560 . 4.560 4.078 3.554 4.573 0.013 2 0 "[ . 1 . 2]" 1
478 1 36 GLY H 1 87 LEU MD1 5.400 . 5.400 3.609 2.202 5.452 0.052 15 0 "[ . 1 . 2]" 1
479 1 36 GLY H 1 87 LEU QD 4.400 . 4.400 3.215 2.141 3.979 . 0 0 "[ . 1 . 2]" 1
480 1 36 GLY H 1 87 LEU MD2 5.400 . 5.400 4.041 2.230 4.889 . 0 0 "[ . 1 . 2]" 1
481 1 36 GLY H 1 87 LEU HG 4.810 . 4.810 3.388 2.626 4.914 0.104 11 0 "[ . 1 . 2]" 1
482 1 36 GLY QA 1 58 VAL MG1 4.080 . 4.080 2.113 1.818 2.815 . 0 0 "[ . 1 . 2]" 1
483 1 36 GLY QA 1 87 LEU QD 4.170 . 4.170 2.443 2.051 3.158 . 0 0 "[ . 1 . 2]" 1
484 1 36 GLY HA2 1 37 SER H 3.180 . 3.180 2.726 2.478 3.035 . 0 0 "[ . 1 . 2]" 1
485 1 36 GLY HA3 1 37 SER H 3.180 . 3.180 2.463 2.260 2.687 . 0 0 "[ . 1 . 2]" 1
486 1 37 SER H 1 57 MET H 4.330 . 4.330 3.321 2.874 4.045 . 0 0 "[ . 1 . 2]" 1
487 1 37 SER H 1 57 MET QB 4.050 . 4.050 3.161 2.553 4.091 0.041 7 0 "[ . 1 . 2]" 1
488 1 37 SER H 1 57 MET QG 5.340 . 5.340 4.380 2.344 5.348 0.008 11 0 "[ . 1 . 2]" 1
489 1 37 SER H 1 58 VAL H 4.900 . 4.900 4.771 4.400 4.948 0.048 20 0 "[ . 1 . 2]" 1
490 1 37 SER H 1 58 VAL HB 5.500 . 5.500 5.281 4.527 5.536 0.036 4 0 "[ . 1 . 2]" 1
491 1 37 SER H 1 58 VAL MG1 3.460 . 3.460 3.006 2.378 3.466 0.006 2 0 "[ . 1 . 2]" 1
492 1 37 SER H 1 87 LEU QD 3.900 . 3.900 2.930 2.449 3.305 . 0 0 "[ . 1 . 2]" 1
493 1 37 SER H 1 87 LEU HG 4.850 . 4.850 4.740 4.406 4.893 0.043 11 0 "[ . 1 . 2]" 1
494 1 37 SER HA 1 38 ILE H 3.170 . 3.170 2.256 2.033 2.471 . 0 0 "[ . 1 . 2]" 1
495 1 37 SER HA 1 87 LEU MD1 4.470 . 4.470 3.422 2.395 4.394 . 0 0 "[ . 1 . 2]" 1
496 1 37 SER HA 1 87 LEU QD 3.710 . 3.710 2.620 2.148 3.057 . 0 0 "[ . 1 . 2]" 1
497 1 37 SER HA 1 87 LEU MD2 4.470 . 4.470 2.777 2.216 3.371 . 0 0 "[ . 1 . 2]" 1
498 1 37 SER QB 1 38 ILE H 3.120 . 3.120 2.885 2.422 3.169 0.049 2 0 "[ . 1 . 2]" 1
499 1 38 ILE H 1 38 ILE HB 3.200 . 3.200 2.641 2.380 3.461 0.261 2 0 "[ . 1 . 2]" 1
500 1 38 ILE H 1 38 ILE MD 4.430 . 4.430 4.003 3.490 4.434 0.004 3 0 "[ . 1 . 2]" 1
501 1 38 ILE H 1 38 ILE QG 3.310 . 3.310 2.707 2.320 3.305 . 0 0 "[ . 1 . 2]" 1
502 1 38 ILE H 1 39 GLN H 4.310 . 4.310 4.143 3.633 4.409 0.099 11 0 "[ . 1 . 2]" 1
503 1 38 ILE H 1 87 LEU MD1 5.020 . 5.020 4.056 2.934 4.820 . 0 0 "[ . 1 . 2]" 1
504 1 38 ILE H 1 87 LEU QD 3.870 . 3.870 2.910 2.257 3.859 . 0 0 "[ . 1 . 2]" 1
505 1 38 ILE H 1 87 LEU MD2 5.020 . 5.020 3.045 2.283 4.472 . 0 0 "[ . 1 . 2]" 1
506 1 38 ILE HA 1 38 ILE MD 4.140 . 4.140 3.782 2.019 4.142 0.002 2 0 "[ . 1 . 2]" 1
507 1 38 ILE HA 1 38 ILE QG 3.240 . 3.240 2.503 2.331 3.254 0.014 2 0 "[ . 1 . 2]" 1
508 1 38 ILE HA 1 38 ILE MG 3.690 . 3.690 2.433 2.084 2.643 . 0 0 "[ . 1 . 2]" 1
509 1 38 ILE HA 1 39 GLN H 2.980 . 2.980 2.139 2.055 2.195 . 0 0 "[ . 1 . 2]" 1
510 1 38 ILE HB 1 38 ILE MD 2.980 . 2.980 2.491 2.409 3.165 0.185 9 0 "[ . 1 . 2]" 1
511 1 38 ILE MD 1 81 TYR HA 4.150 . 4.150 2.929 2.392 3.600 . 0 0 "[ . 1 . 2]" 1
512 1 38 ILE MD 1 82 ARG H 4.370 . 4.370 3.491 2.364 4.403 0.033 13 0 "[ . 1 . 2]" 1
513 1 38 ILE MD 1 87 LEU QD 4.160 . 4.160 2.230 1.853 3.173 . 0 0 "[ . 1 . 2]" 1
514 1 38 ILE QG 1 87 LEU QD 3.270 . 3.270 1.975 1.845 2.309 . 0 0 "[ . 1 . 2]" 1
515 1 38 ILE MG 1 39 GLN H 3.530 . 3.530 2.929 2.256 3.645 0.115 2 0 "[ . 1 . 2]" 1
516 1 40 THR H 1 40 THR HB 4.140 . 4.140 2.995 2.442 3.577 . 0 0 "[ . 1 . 2]" 1
517 1 40 THR H 1 40 THR MG 3.650 . 3.650 2.757 1.827 3.770 0.120 9 0 "[ . 1 . 2]" 1
518 1 40 THR H 1 54 VAL QG 4.940 . 4.940 4.052 2.244 5.155 0.215 3 0 "[ . 1 . 2]" 1
519 1 40 THR HA 1 40 THR MG 3.600 . 3.600 2.559 2.187 3.241 . 0 0 "[ . 1 . 2]" 1
520 1 40 THR HA 1 41 ARG H 3.120 . 3.120 2.208 2.018 2.473 . 0 0 "[ . 1 . 2]" 1
521 1 40 THR HA 1 54 VAL QG 3.870 . 3.870 3.027 1.911 4.027 0.157 5 0 "[ . 1 . 2]" 1
522 1 40 THR HB 1 41 ARG H 3.900 . 3.900 3.755 2.694 4.084 0.184 6 0 "[ . 1 . 2]" 1
523 1 40 THR MG 1 41 ARG H 4.200 . 4.200 3.422 2.324 4.090 . 0 0 "[ . 1 . 2]" 1
524 1 41 ARG H 1 41 ARG QB 3.120 . 3.120 2.819 2.412 3.218 0.098 5 0 "[ . 1 . 2]" 1
525 1 41 ARG H 1 54 VAL QG 4.880 . 4.880 3.557 2.214 4.905 0.025 2 0 "[ . 1 . 2]" 1
526 1 41 ARG QB 1 42 ALA H 4.200 . 4.200 3.334 1.843 4.055 . 0 0 "[ . 1 . 2]" 1
527 1 42 ALA H 1 42 ALA MB 3.430 . 3.430 2.475 2.240 2.916 . 0 0 "[ . 1 . 2]" 1
528 1 42 ALA H 1 43 LEU QB 4.740 . 4.740 4.401 3.456 4.801 0.061 7 0 "[ . 1 . 2]" 1
529 1 42 ALA HA 1 43 LEU H 2.890 . 2.890 2.559 2.105 2.990 0.100 17 0 "[ . 1 . 2]" 1
530 1 42 ALA MB 1 43 LEU H 3.940 . 3.940 3.483 2.392 3.676 . 0 0 "[ . 1 . 2]" 1
531 1 43 LEU H 1 43 LEU QB 3.170 . 3.170 2.555 2.132 3.245 0.075 16 0 "[ . 1 . 2]" 1
532 1 43 LEU HA 1 43 LEU HG 3.270 . 3.270 3.131 2.886 3.404 0.134 19 0 "[ . 1 . 2]" 1
533 1 43 LEU HA 1 44 SER H 3.170 . 3.170 2.447 2.078 3.370 0.200 10 0 "[ . 1 . 2]" 1
534 1 43 LEU QB 1 44 SER H 4.410 . 4.410 3.104 1.737 3.967 . 0 0 "[ . 1 . 2]" 1
535 1 43 LEU QD 1 44 SER H 4.920 . 4.920 3.009 2.005 4.318 . 0 0 "[ . 1 . 2]" 1
536 1 43 LEU HG 1 44 SER H 4.620 . 4.620 3.589 1.644 4.699 0.079 1 0 "[ . 1 . 2]" 1
537 1 44 SER H 1 44 SER HB2 4.200 . 4.200 2.748 2.406 3.762 . 0 0 "[ . 1 . 2]" 1
538 1 44 SER H 1 44 SER QB 3.660 . 3.660 2.521 2.335 3.059 . 0 0 "[ . 1 . 2]" 1
539 1 44 SER H 1 44 SER HB3 4.200 . 4.200 3.340 2.452 3.734 . 0 0 "[ . 1 . 2]" 1
540 1 45 PRO QB 1 46 GLU H 3.380 . 3.380 2.632 1.738 3.400 0.020 12 0 "[ . 1 . 2]" 1
541 1 45 PRO QD 1 46 GLU H 4.220 . 4.220 2.938 1.919 4.329 0.109 18 0 "[ . 1 . 2]" 1
542 1 45 PRO QD 1 47 ARG H 4.630 . 4.630 3.905 2.291 4.587 . 0 0 "[ . 1 . 2]" 1
543 1 45 PRO QG 1 46 GLU H 3.910 . 3.910 3.523 2.585 3.959 0.049 18 0 "[ . 1 . 2]" 1
544 1 46 GLU H 1 46 GLU QG 4.270 . 4.270 2.752 1.792 4.154 . 0 0 "[ . 1 . 2]" 1
545 1 46 GLU H 1 47 ARG H 2.740 . 2.740 2.307 2.041 2.712 . 0 0 "[ . 1 . 2]" 1
546 1 46 GLU HA 1 46 GLU QG 3.860 . 3.860 2.958 2.393 3.565 . 0 0 "[ . 1 . 2]" 1
547 1 50 PRO QB 1 51 GLY H 3.770 . 3.770 3.263 2.532 3.831 0.061 19 0 "[ . 1 . 2]" 1
548 1 50 PRO HB2 1 51 GLY H 4.450 . 4.450 3.429 2.563 4.196 . 0 0 "[ . 1 . 2]" 1
549 1 50 PRO HB3 1 51 GLY H 4.450 . 4.450 4.262 3.864 4.501 0.051 20 0 "[ . 1 . 2]" 1
550 1 50 PRO HD2 1 51 GLY H 4.710 . 4.710 2.807 2.087 4.376 . 0 0 "[ . 1 . 2]" 1
551 1 50 PRO HD3 1 51 GLY H 4.710 . 4.710 3.907 3.429 4.793 0.083 14 0 "[ . 1 . 2]" 1
552 1 52 PRO HA 1 53 ALA H 3.190 . 3.190 2.462 2.132 3.269 0.079 5 0 "[ . 1 . 2]" 1
553 1 52 PRO HA 1 54 VAL H 4.570 . 4.570 3.459 2.914 4.038 . 0 0 "[ . 1 . 2]" 1
554 1 52 PRO QB 1 53 ALA H 3.840 . 3.840 3.656 2.670 3.859 0.019 15 0 "[ . 1 . 2]" 1
555 1 52 PRO QB 1 54 VAL H 5.020 . 5.020 4.146 2.283 4.956 . 0 0 "[ . 1 . 2]" 1
556 1 52 PRO HB2 1 53 ALA H 4.410 . 4.410 4.015 2.906 4.277 . 0 0 "[ . 1 . 2]" 1
557 1 52 PRO HB3 1 53 ALA H 4.410 . 4.410 4.237 3.115 4.497 0.087 20 0 "[ . 1 . 2]" 1
558 1 53 ALA H 1 53 ALA MB 3.370 . 3.370 2.285 2.208 2.351 . 0 0 "[ . 1 . 2]" 1
559 1 53 ALA H 1 54 VAL H 3.600 . 3.600 2.361 1.940 2.646 . 0 0 "[ . 1 . 2]" 1
560 1 53 ALA H 1 54 VAL QG 4.690 . 4.690 3.707 3.236 4.321 . 0 0 "[ . 1 . 2]" 1
561 1 53 ALA MB 1 54 VAL H 3.300 . 3.300 2.710 2.285 3.162 . 0 0 "[ . 1 . 2]" 1
562 1 54 VAL H 1 54 VAL HB 3.250 . 3.250 2.784 2.463 3.280 0.030 10 0 "[ . 1 . 2]" 1
563 1 54 VAL H 1 54 VAL QG 3.330 . 3.330 2.193 1.831 2.985 . 0 0 "[ . 1 . 2]" 1
564 1 54 VAL H 1 55 THR H 4.590 . 4.590 4.345 4.018 4.564 . 0 0 "[ . 1 . 2]" 1
565 1 54 VAL HA 1 55 THR H 2.930 . 2.930 2.169 2.030 2.250 . 0 0 "[ . 1 . 2]" 1
566 1 54 VAL HB 1 55 THR H 4.250 . 4.250 4.189 3.874 4.269 0.019 15 0 "[ . 1 . 2]" 1
567 1 54 VAL QG 1 55 THR H 3.480 . 3.480 2.726 2.437 2.933 . 0 0 "[ . 1 . 2]" 1
568 1 55 THR H 1 55 THR HB 3.960 . 3.960 3.091 2.653 3.757 . 0 0 "[ . 1 . 2]" 1
569 1 55 THR H 1 55 THR MG 3.940 . 3.940 3.435 2.235 3.954 0.014 4 0 "[ . 1 . 2]" 1
570 1 55 THR HA 1 56 LEU H 3.130 . 3.130 2.340 2.114 2.669 . 0 0 "[ . 1 . 2]" 1
571 1 55 THR HA 1 56 LEU QD 4.460 . 4.460 4.145 2.949 4.538 0.078 2 0 "[ . 1 . 2]" 1
572 1 55 THR HA 1 105 LEU QD 5.500 . 5.500 3.290 1.841 4.928 . 0 0 "[ . 1 . 2]" 1
573 1 55 THR HB 1 56 LEU H 3.870 . 3.870 3.497 2.156 3.929 0.059 15 0 "[ . 1 . 2]" 1
574 1 55 THR MG 1 56 LEU H 3.580 . 3.580 2.794 2.147 3.597 0.017 20 0 "[ . 1 . 2]" 1
575 1 56 LEU H 1 56 LEU QB 3.390 . 3.390 2.951 2.616 3.204 . 0 0 "[ . 1 . 2]" 1
576 1 56 LEU H 1 56 LEU QD 3.960 . 3.960 2.473 1.799 2.771 . 0 0 "[ . 1 . 2]" 1
577 1 56 LEU H 1 56 LEU HG 2.960 . 2.960 2.181 1.921 3.018 0.058 8 0 "[ . 1 . 2]" 1
578 1 56 LEU H 1 57 MET H 4.590 . 4.590 4.385 4.064 4.596 0.006 2 0 "[ . 1 . 2]" 1
579 1 56 LEU H 1 69 GLN HE21 5.230 . 5.230 4.553 3.525 5.245 0.015 17 0 "[ . 1 . 2]" 1
580 1 56 LEU H 1 69 GLN QE 4.470 . 4.470 3.316 2.738 3.956 . 0 0 "[ . 1 . 2]" 1
581 1 56 LEU H 1 69 GLN HE22 5.230 . 5.230 3.428 2.794 4.093 . 0 0 "[ . 1 . 2]" 1
582 1 56 LEU H 1 105 LEU QD 4.250 . 4.250 3.069 2.038 4.070 . 0 0 "[ . 1 . 2]" 1
583 1 56 LEU HA 1 56 LEU MD1 4.470 . 4.470 3.658 3.539 3.727 . 0 0 "[ . 1 . 2]" 1
584 1 56 LEU HA 1 56 LEU QD 3.550 . 3.550 3.411 3.174 3.461 . 0 0 "[ . 1 . 2]" 1
585 1 56 LEU HA 1 56 LEU MD2 4.470 . 4.470 4.084 3.588 4.132 . 0 0 "[ . 1 . 2]" 1
586 1 56 LEU HA 1 57 MET H 2.940 . 2.940 2.130 1.991 2.266 . 0 0 "[ . 1 . 2]" 1
587 1 56 LEU HA 1 58 VAL MG1 4.550 . 4.550 4.038 3.581 4.455 . 0 0 "[ . 1 . 2]" 1
588 1 56 LEU HA 1 105 LEU QD 4.270 . 4.270 3.728 3.092 4.298 0.028 6 0 "[ . 1 . 2]" 1
589 1 56 LEU QB 1 57 MET H 3.730 . 3.730 3.113 2.613 3.646 . 0 0 "[ . 1 . 2]" 1
590 1 56 LEU QB 1 58 VAL H 4.230 . 4.230 4.061 3.608 4.250 0.020 14 0 "[ . 1 . 2]" 1
591 1 56 LEU QB 1 58 VAL MG1 3.530 . 3.530 2.407 2.053 2.823 . 0 0 "[ . 1 . 2]" 1
592 1 56 LEU QB 1 69 GLN QE 4.760 . 4.760 4.294 3.602 4.714 . 0 0 "[ . 1 . 2]" 1
593 1 56 LEU QB 1 105 LEU QD 3.280 . 3.280 2.639 1.919 3.340 0.060 8 0 "[ . 1 . 2]" 1
594 1 56 LEU QD 1 57 MET H 5.070 . 5.070 4.010 3.699 4.421 . 0 0 "[ . 1 . 2]" 1
595 1 56 LEU QD 1 65 ARG HA 3.660 . 3.660 2.339 1.951 2.806 . 0 0 "[ . 1 . 2]" 1
596 1 56 LEU QD 1 65 ARG QB 3.480 . 3.480 2.097 1.874 2.373 . 0 0 "[ . 1 . 2]" 1
597 1 56 LEU QD 1 69 GLN QE 4.060 . 4.060 2.195 1.875 3.265 . 0 0 "[ . 1 . 2]" 1
598 1 56 LEU QD 1 105 LEU HG 3.700 . 3.700 2.955 2.095 3.773 0.073 10 0 "[ . 1 . 2]" 1
599 1 56 LEU MD1 1 65 ARG HA 4.700 . 4.700 2.656 2.167 3.342 . 0 0 "[ . 1 . 2]" 1
600 1 56 LEU MD1 1 65 ARG QB 3.990 . 3.990 2.138 1.902 2.605 . 0 0 "[ . 1 . 2]" 1
601 1 56 LEU MD2 1 65 ARG HA 4.700 . 4.700 2.946 2.018 4.124 . 0 0 "[ . 1 . 2]" 1
602 1 56 LEU MD2 1 65 ARG QB 3.990 . 3.990 3.342 2.375 4.007 0.017 12 0 "[ . 1 . 2]" 1
603 1 56 LEU HG 1 69 GLN QE 3.770 . 3.770 2.610 1.791 3.808 0.038 8 0 "[ . 1 . 2]" 1
604 1 56 LEU HG 1 105 LEU QD 2.900 . 2.900 2.344 1.883 2.920 0.020 11 0 "[ . 1 . 2]" 1
605 1 57 MET H 1 57 MET QB 3.060 . 3.060 2.442 2.197 3.085 0.025 7 0 "[ . 1 . 2]" 1
606 1 57 MET H 1 57 MET QG 3.800 . 3.800 3.088 2.268 3.921 0.121 10 0 "[ . 1 . 2]" 1
607 1 57 MET H 1 58 VAL H 4.140 . 4.140 3.864 3.630 4.011 . 0 0 "[ . 1 . 2]" 1
608 1 57 MET H 1 58 VAL MG1 3.940 . 3.940 3.443 3.019 3.816 . 0 0 "[ . 1 . 2]" 1
609 1 57 MET H 1 58 VAL MG2 5.500 . 5.500 4.634 4.092 5.101 . 0 0 "[ . 1 . 2]" 1
610 1 57 MET H 1 87 LEU QD 5.280 . 5.280 4.305 3.730 5.101 . 0 0 "[ . 1 . 2]" 1
611 1 57 MET HA 1 57 MET QB 2.550 . 2.550 2.360 2.187 2.403 . 0 0 "[ . 1 . 2]" 1
612 1 57 MET HA 1 58 VAL H 2.810 . 2.810 2.162 2.088 2.250 . 0 0 "[ . 1 . 2]" 1
613 1 57 MET QB 1 58 VAL H 4.110 . 4.110 3.794 3.603 4.019 . 0 0 "[ . 1 . 2]" 1
614 1 58 VAL H 1 58 VAL HB 4.070 . 4.070 3.826 3.722 3.894 . 0 0 "[ . 1 . 2]" 1
615 1 58 VAL H 1 58 VAL MG1 3.970 . 3.970 2.930 2.594 3.170 . 0 0 "[ . 1 . 2]" 1
616 1 58 VAL H 1 58 VAL MG2 3.430 . 3.430 2.225 2.023 2.383 . 0 0 "[ . 1 . 2]" 1
617 1 58 VAL H 1 59 ASP H 4.910 . 4.910 4.361 4.309 4.453 . 0 0 "[ . 1 . 2]" 1
618 1 58 VAL HA 1 58 VAL HB 2.480 . 2.480 2.466 2.404 2.495 0.015 8 0 "[ . 1 . 2]" 1
619 1 58 VAL HA 1 58 VAL MG1 3.180 . 3.180 2.417 2.369 2.487 . 0 0 "[ . 1 . 2]" 1
620 1 58 VAL HA 1 59 ASP H 3.550 . 3.550 2.463 2.240 2.675 . 0 0 "[ . 1 . 2]" 1
621 1 58 VAL HB 1 59 ASP H 3.180 . 3.180 2.248 1.994 2.710 . 0 0 "[ . 1 . 2]" 1
622 1 58 VAL HB 1 62 CYS H 5.500 . 5.500 4.772 4.485 5.208 . 0 0 "[ . 1 . 2]" 1
623 1 58 VAL HB 1 62 CYS HB2 4.460 . 4.460 3.110 2.696 3.838 . 0 0 "[ . 1 . 2]" 1
624 1 58 VAL HB 1 62 CYS HB3 4.050 . 4.050 2.695 2.148 3.362 . 0 0 "[ . 1 . 2]" 1
625 1 58 VAL MG1 1 59 ASP H 4.210 . 4.210 3.645 3.493 3.849 . 0 0 "[ . 1 . 2]" 1
626 1 58 VAL MG1 1 62 CYS HB2 5.190 . 5.190 4.417 3.966 5.072 . 0 0 "[ . 1 . 2]" 1
627 1 58 VAL MG1 1 62 CYS HB3 5.230 . 5.230 3.876 3.502 4.312 . 0 0 "[ . 1 . 2]" 1
628 1 58 VAL MG1 1 65 ARG QD 4.880 . 4.880 4.499 4.089 4.909 0.029 9 0 "[ . 1 . 2]" 1
629 1 58 VAL MG1 1 87 LEU QD 2.550 . 2.550 2.218 1.902 2.558 0.008 4 0 "[ . 1 . 2]" 1
630 1 58 VAL MG2 1 59 ASP H 4.280 . 4.280 3.200 2.948 3.514 . 0 0 "[ . 1 . 2]" 1
631 1 58 VAL MG2 1 62 CYS H 4.170 . 4.170 3.837 3.517 4.081 . 0 0 "[ . 1 . 2]" 1
632 1 58 VAL MG2 1 62 CYS HB2 4.210 . 4.210 3.483 2.275 3.863 . 0 0 "[ . 1 . 2]" 1
633 1 58 VAL MG2 1 62 CYS HB3 3.880 . 3.880 2.330 2.053 3.038 . 0 0 "[ . 1 . 2]" 1
634 1 58 VAL MG2 1 65 ARG H 3.880 . 3.880 3.008 2.687 3.281 . 0 0 "[ . 1 . 2]" 1
635 1 58 VAL MG2 1 65 ARG HA 5.080 . 5.080 3.894 3.629 4.394 . 0 0 "[ . 1 . 2]" 1
636 1 58 VAL MG2 1 65 ARG QB 3.600 . 3.600 2.204 1.993 2.702 . 0 0 "[ . 1 . 2]" 1
637 1 58 VAL MG2 1 65 ARG QD 3.940 . 3.940 2.091 1.836 2.593 . 0 0 "[ . 1 . 2]" 1
638 1 58 VAL MG2 1 65 ARG HG2 2.520 . 2.520 2.524 2.244 2.597 0.077 11 0 "[ . 1 . 2]" 1
639 1 59 ASP H 1 59 ASP HB2 4.090 . 4.090 2.588 2.271 3.693 . 0 0 "[ . 1 . 2]" 1
640 1 59 ASP H 1 59 ASP HB3 4.090 . 4.090 2.781 2.309 3.640 . 0 0 "[ . 1 . 2]" 1
641 1 59 ASP H 1 62 CYS H 4.760 . 4.760 4.364 4.032 4.638 . 0 0 "[ . 1 . 2]" 1
642 1 59 ASP H 1 62 CYS HB2 4.230 . 4.230 3.110 2.712 3.450 . 0 0 "[ . 1 . 2]" 1
643 1 59 ASP H 1 62 CYS HB3 4.490 . 4.490 3.447 3.063 4.374 . 0 0 "[ . 1 . 2]" 1
644 1 59 ASP HA 1 60 GLU H 3.370 . 3.370 2.284 2.170 2.477 . 0 0 "[ . 1 . 2]" 1
645 1 59 ASP QB 1 60 GLU H 3.820 . 3.820 3.162 2.206 3.572 . 0 0 "[ . 1 . 2]" 1
646 1 59 ASP QB 1 61 SER H 3.750 . 3.750 3.070 2.066 3.588 . 0 0 "[ . 1 . 2]" 1
647 1 59 ASP HB2 1 60 GLU H 4.650 . 4.650 3.828 2.224 4.021 . 0 0 "[ . 1 . 2]" 1
648 1 59 ASP HB2 1 61 SER H 4.590 . 4.590 4.127 3.024 4.598 0.008 14 0 "[ . 1 . 2]" 1
649 1 59 ASP HB3 1 60 GLU H 4.650 . 4.650 3.514 2.290 4.071 . 0 0 "[ . 1 . 2]" 1
650 1 59 ASP HB3 1 61 SER H 4.590 . 4.590 3.227 2.103 4.468 . 0 0 "[ . 1 . 2]" 1
651 1 60 GLU H 1 60 GLU QB 3.210 . 3.210 2.400 2.177 2.739 . 0 0 "[ . 1 . 2]" 1
652 1 60 GLU H 1 60 GLU QG 4.760 . 4.760 2.654 1.900 4.004 . 0 0 "[ . 1 . 2]" 1
653 1 60 GLU H 1 61 SER H 3.890 . 3.890 2.754 2.329 2.924 . 0 0 "[ . 1 . 2]" 1
654 1 60 GLU H 1 62 CYS H 4.870 . 4.870 4.109 3.919 4.258 . 0 0 "[ . 1 . 2]" 1
655 1 60 GLU HA 1 62 CYS H 4.070 . 4.070 3.778 3.142 4.023 . 0 0 "[ . 1 . 2]" 1
656 1 60 GLU QB 1 61 SER H 3.900 . 3.900 2.986 2.484 3.866 . 0 0 "[ . 1 . 2]" 1
657 1 60 GLU QG 1 61 SER H 4.600 . 4.600 3.970 2.616 4.383 . 0 0 "[ . 1 . 2]" 1
658 1 60 GLU QG 1 62 CYS H 5.500 . 5.500 5.249 4.749 5.562 0.062 14 0 "[ . 1 . 2]" 1
659 1 61 SER H 1 61 SER HB2 4.160 . 4.160 2.787 2.444 3.641 . 0 0 "[ . 1 . 2]" 1
660 1 61 SER H 1 61 SER QB 3.590 . 3.590 2.505 2.221 2.944 . 0 0 "[ . 1 . 2]" 1
661 1 61 SER H 1 61 SER HB3 4.160 . 4.160 3.114 2.511 3.724 . 0 0 "[ . 1 . 2]" 1
662 1 61 SER H 1 62 CYS H 3.320 . 3.320 2.430 2.182 2.719 . 0 0 "[ . 1 . 2]" 1
663 1 61 SER H 1 62 CYS HB2 4.760 . 4.760 4.417 4.106 4.761 0.001 7 0 "[ . 1 . 2]" 1
664 1 62 CYS H 1 62 CYS HB2 3.190 . 3.190 2.633 2.090 2.824 . 0 0 "[ . 1 . 2]" 1
665 1 62 CYS H 1 62 CYS HB3 3.060 . 3.060 2.564 2.471 3.326 0.266 5 0 "[ . 1 . 2]" 1
666 1 62 CYS H 1 63 TRP H 5.070 . 5.070 4.373 4.020 4.520 . 0 0 "[ . 1 . 2]" 1
667 1 62 CYS H 1 65 ARG HG2 4.400 . 4.400 3.849 3.441 4.406 0.006 2 0 "[ . 1 . 2]" 1
668 1 62 CYS HA 1 63 TRP H 2.960 . 2.960 2.090 2.054 2.165 . 0 0 "[ . 1 . 2]" 1
669 1 62 CYS HB3 1 64 LEU H 4.730 . 4.730 3.761 2.917 4.083 . 0 0 "[ . 1 . 2]" 1
670 1 62 CYS HB3 1 65 ARG H 4.160 . 4.160 3.735 3.477 3.983 . 0 0 "[ . 1 . 2]" 1
671 1 63 TRP H 1 63 TRP HB2 3.680 . 3.680 3.567 3.545 3.637 . 0 0 "[ . 1 . 2]" 1
672 1 63 TRP H 1 63 TRP HB3 3.490 . 3.490 2.435 2.379 2.510 . 0 0 "[ . 1 . 2]" 1
673 1 63 TRP H 1 63 TRP HD1 3.660 . 3.660 2.036 1.811 2.255 . 0 0 "[ . 1 . 2]" 1
674 1 63 TRP H 1 63 TRP HE1 4.690 . 4.690 4.493 4.193 4.662 . 0 0 "[ . 1 . 2]" 1
675 1 63 TRP H 1 64 LEU H 3.980 . 3.980 2.791 2.589 2.964 . 0 0 "[ . 1 . 2]" 1
676 1 63 TRP H 1 66 MET H 5.500 . 5.500 5.370 5.046 5.563 0.063 2 0 "[ . 1 . 2]" 1
677 1 63 TRP HA 1 63 TRP HD1 4.710 . 4.710 4.256 4.145 4.359 . 0 0 "[ . 1 . 2]" 1
678 1 63 TRP HA 1 63 TRP HE3 4.760 . 4.760 4.540 4.410 4.643 . 0 0 "[ . 1 . 2]" 1
679 1 63 TRP HA 1 65 ARG H 4.230 . 4.230 3.917 3.757 4.114 . 0 0 "[ . 1 . 2]" 1
680 1 63 TRP HB2 1 63 TRP HE3 3.610 . 3.610 2.398 2.332 2.502 . 0 0 "[ . 1 . 2]" 1
681 1 63 TRP HB2 1 63 TRP HZ3 5.500 . 5.500 4.809 4.739 4.905 . 0 0 "[ . 1 . 2]" 1
682 1 63 TRP HB3 1 63 TRP HD1 3.500 . 3.500 2.891 2.794 2.960 . 0 0 "[ . 1 . 2]" 1
683 1 63 TRP HB3 1 63 TRP HE1 5.060 . 5.060 4.863 4.831 4.895 . 0 0 "[ . 1 . 2]" 1
684 1 63 TRP HB3 1 64 LEU H 5.240 . 5.240 4.126 4.056 4.194 . 0 0 "[ . 1 . 2]" 1
685 1 63 TRP HE1 1 64 LEU QB 5.340 . 5.340 5.389 5.264 5.451 0.111 19 0 "[ . 1 . 2]" 1
686 1 63 TRP HE1 1 64 LEU MD1 5.500 . 5.500 4.086 3.739 4.307 . 0 0 "[ . 1 . 2]" 1
687 1 63 TRP HE1 1 64 LEU QD 4.680 . 4.680 2.969 2.751 3.328 . 0 0 "[ . 1 . 2]" 1
688 1 63 TRP HE1 1 64 LEU MD2 5.500 . 5.500 3.061 2.798 3.564 . 0 0 "[ . 1 . 2]" 1
689 1 63 TRP HE1 1 64 LEU HG 5.470 . 5.470 3.534 3.288 3.701 . 0 0 "[ . 1 . 2]" 1
690 1 63 TRP HE3 1 64 LEU H 5.300 . 5.300 5.028 4.774 5.238 . 0 0 "[ . 1 . 2]" 1
691 1 63 TRP HE3 1 64 LEU HA 4.720 . 4.720 4.387 4.093 4.660 . 0 0 "[ . 1 . 2]" 1
692 1 63 TRP HE3 1 64 LEU QD 4.460 . 4.460 3.981 3.732 4.198 . 0 0 "[ . 1 . 2]" 1
693 1 63 TRP HE3 1 67 LEU QD 3.130 . 3.130 2.122 1.944 2.410 . 0 0 "[ . 1 . 2]" 1
694 1 63 TRP HH2 1 64 LEU QD 4.540 . 4.540 3.745 3.390 4.029 . 0 0 "[ . 1 . 2]" 1
695 1 63 TRP HH2 1 67 LEU QD 5.440 . 5.440 3.883 3.538 4.408 . 0 0 "[ . 1 . 2]" 1
696 1 63 TRP HH2 1 89 CYS QB 4.990 . 4.990 3.840 3.131 4.372 . 0 0 "[ . 1 . 2]" 1
697 1 63 TRP HH2 1 101 LEU QD 4.620 . 4.620 3.815 3.003 4.485 . 0 0 "[ . 1 . 2]" 1
698 1 63 TRP HZ2 1 64 LEU QD 4.450 . 4.450 2.929 2.822 3.070 . 0 0 "[ . 1 . 2]" 1
699 1 63 TRP HZ3 1 64 LEU HA 5.500 . 5.500 5.247 4.841 5.543 0.043 20 0 "[ . 1 . 2]" 1
700 1 63 TRP HZ3 1 64 LEU QD 4.990 . 4.990 4.163 3.722 4.451 . 0 0 "[ . 1 . 2]" 1
701 1 63 TRP HZ3 1 67 LEU MD1 3.990 . 3.990 2.939 2.504 3.698 . 0 0 "[ . 1 . 2]" 1
702 1 63 TRP HZ3 1 67 LEU MD2 3.990 . 3.990 2.810 2.368 3.463 . 0 0 "[ . 1 . 2]" 1
703 1 63 TRP HZ3 1 101 LEU QD 4.100 . 4.100 2.605 2.057 3.467 . 0 0 "[ . 1 . 2]" 1
704 1 63 TRP HZ3 1 101 LEU HG 5.500 . 5.500 4.747 3.995 5.544 0.044 5 0 "[ . 1 . 2]" 1
705 1 64 LEU H 1 64 LEU QB 3.570 . 3.570 2.494 2.392 2.588 . 0 0 "[ . 1 . 2]" 1
706 1 64 LEU H 1 64 LEU MD1 4.170 . 4.170 3.650 3.612 3.687 . 0 0 "[ . 1 . 2]" 1
707 1 64 LEU H 1 64 LEU QD 3.630 . 3.630 2.897 2.731 3.068 . 0 0 "[ . 1 . 2]" 1
708 1 64 LEU H 1 64 LEU MD2 4.170 . 4.170 3.044 2.823 3.310 . 0 0 "[ . 1 . 2]" 1
709 1 64 LEU H 1 64 LEU HG 3.280 . 3.280 2.173 2.063 2.293 . 0 0 "[ . 1 . 2]" 1
710 1 64 LEU H 1 65 ARG H 3.620 . 3.620 2.730 2.626 2.854 . 0 0 "[ . 1 . 2]" 1
711 1 64 LEU H 1 65 ARG QB 5.380 . 5.380 5.069 4.996 5.218 . 0 0 "[ . 1 . 2]" 1
712 1 64 LEU H 1 65 ARG HG2 5.140 . 5.140 4.315 4.020 4.704 . 0 0 "[ . 1 . 2]" 1
713 1 64 LEU H 1 66 MET H 4.580 . 4.580 4.001 3.840 4.138 . 0 0 "[ . 1 . 2]" 1
714 1 64 LEU HA 1 64 LEU MD1 4.040 . 4.040 3.856 3.811 3.881 . 0 0 "[ . 1 . 2]" 1
715 1 64 LEU HA 1 64 LEU QD 3.310 . 3.310 2.104 1.991 2.209 . 0 0 "[ . 1 . 2]" 1
716 1 64 LEU HA 1 64 LEU MD2 4.040 . 4.040 2.113 1.998 2.221 . 0 0 "[ . 1 . 2]" 1
717 1 64 LEU HA 1 66 MET H 4.320 . 4.320 3.807 3.599 4.054 . 0 0 "[ . 1 . 2]" 1
718 1 64 LEU HA 1 67 LEU H 4.430 . 4.430 3.996 3.609 4.225 . 0 0 "[ . 1 . 2]" 1
719 1 64 LEU HA 1 80 ILE MD 4.320 . 4.320 3.824 3.387 4.326 0.006 13 0 "[ . 1 . 2]" 1
720 1 64 LEU HA 1 103 VAL HB 4.390 . 4.390 4.448 4.395 4.503 0.113 2 0 "[ . 1 . 2]" 1
721 1 64 LEU HA 1 103 VAL QG 5.280 . 5.280 3.429 2.136 4.000 . 0 0 "[ . 1 . 2]" 1
722 1 64 LEU QB 1 64 LEU QD 2.730 . 2.730 1.954 1.928 1.971 . 0 0 "[ . 1 . 2]" 1
723 1 64 LEU QB 1 65 ARG H 3.440 . 3.440 2.797 2.601 2.964 . 0 0 "[ . 1 . 2]" 1
724 1 64 LEU HB2 1 65 ARG H 3.920 . 3.920 2.869 2.648 3.065 . 0 0 "[ . 1 . 2]" 1
725 1 64 LEU HB3 1 65 ARG H 3.920 . 3.920 3.883 3.747 3.960 0.040 2 0 "[ . 1 . 2]" 1
726 1 64 LEU QD 1 65 ARG H 4.520 . 4.520 4.183 4.063 4.286 . 0 0 "[ . 1 . 2]" 1
727 1 64 LEU QD 1 80 ILE MD 3.300 . 3.300 1.932 1.717 2.371 . 0 0 "[ . 1 . 2]" 1
728 1 64 LEU QD 1 80 ILE QG 4.690 . 4.690 2.373 1.761 2.883 . 0 0 "[ . 1 . 2]" 1
729 1 64 LEU QD 1 80 ILE MG 3.450 . 3.450 2.296 1.952 2.572 . 0 0 "[ . 1 . 2]" 1
730 1 64 LEU QD 1 87 LEU QD 3.920 . 3.920 2.614 2.248 3.062 . 0 0 "[ . 1 . 2]" 1
731 1 64 LEU QD 1 89 CYS HA 5.300 . 5.300 4.139 3.778 4.631 . 0 0 "[ . 1 . 2]" 1
732 1 64 LEU QD 1 89 CYS QB 3.820 . 3.820 2.531 2.163 3.402 . 0 0 "[ . 1 . 2]" 1
733 1 64 LEU MD1 1 65 ARG H 5.220 . 5.220 4.747 4.544 4.923 . 0 0 "[ . 1 . 2]" 1
734 1 64 LEU MD1 1 80 ILE MD 3.860 . 3.860 2.846 2.059 3.845 . 0 0 "[ . 1 . 2]" 1
735 1 64 LEU MD1 1 80 ILE MG 4.080 . 4.080 2.343 1.975 2.655 . 0 0 "[ . 1 . 2]" 1
736 1 64 LEU MD2 1 65 ARG H 5.220 . 5.220 4.649 4.554 4.714 . 0 0 "[ . 1 . 2]" 1
737 1 64 LEU MD2 1 80 ILE MD 3.860 . 3.860 1.978 1.768 2.398 . 0 0 "[ . 1 . 2]" 1
738 1 64 LEU MD2 1 80 ILE MG 4.080 . 4.080 3.368 2.805 3.747 . 0 0 "[ . 1 . 2]" 1
739 1 64 LEU HG 1 65 ARG H 5.160 . 5.160 4.375 4.158 4.559 . 0 0 "[ . 1 . 2]" 1
740 1 65 ARG H 1 65 ARG QB 3.150 . 3.150 2.777 2.679 2.880 . 0 0 "[ . 1 . 2]" 1
741 1 65 ARG H 1 65 ARG HG2 3.890 . 3.890 2.186 1.941 2.437 . 0 0 "[ . 1 . 2]" 1
742 1 65 ARG H 1 65 ARG HG3 3.660 . 3.660 3.104 2.877 3.299 . 0 0 "[ . 1 . 2]" 1
743 1 65 ARG H 1 66 MET H 3.410 . 3.410 2.387 2.297 2.470 . 0 0 "[ . 1 . 2]" 1
744 1 65 ARG H 1 67 LEU H 4.470 . 4.470 4.124 3.980 4.279 . 0 0 "[ . 1 . 2]" 1
745 1 65 ARG HA 1 65 ARG HG3 3.840 . 3.840 3.747 3.673 3.789 . 0 0 "[ . 1 . 2]" 1
746 1 65 ARG HA 1 67 LEU H 4.300 . 4.300 3.581 3.252 4.120 . 0 0 "[ . 1 . 2]" 1
747 1 65 ARG QB 1 66 MET H 3.860 . 3.860 3.873 3.795 3.901 0.041 2 0 "[ . 1 . 2]" 1
748 1 65 ARG QB 1 69 GLN QE 5.340 . 5.340 3.887 2.845 4.991 . 0 0 "[ . 1 . 2]" 1
749 1 65 ARG HG3 1 66 MET H 4.300 . 4.300 3.418 3.105 3.593 . 0 0 "[ . 1 . 2]" 1
750 1 65 ARG HG3 1 66 MET QB 4.620 . 4.620 4.276 3.105 4.704 0.084 19 0 "[ . 1 . 2]" 1
751 1 66 MET H 1 66 MET HG2 3.950 . 3.950 2.923 2.175 3.838 . 0 0 "[ . 1 . 2]" 1
752 1 66 MET H 1 66 MET QG 3.390 . 3.390 2.485 2.151 2.668 . 0 0 "[ . 1 . 2]" 1
753 1 66 MET H 1 66 MET HG3 3.950 . 3.950 3.357 2.483 3.969 0.019 12 0 "[ . 1 . 2]" 1
754 1 66 MET H 1 67 LEU H 3.360 . 3.360 2.208 2.108 2.339 . 0 0 "[ . 1 . 2]" 1
755 1 66 MET H 1 67 LEU QD 3.950 . 3.950 3.492 2.914 3.972 0.022 18 0 "[ . 1 . 2]" 1
756 1 66 MET QG 1 67 LEU QD 4.760 . 4.760 4.103 2.984 4.799 0.039 20 0 "[ . 1 . 2]" 1
757 1 67 LEU H 1 67 LEU HB2 3.810 . 3.810 2.399 2.257 2.490 . 0 0 "[ . 1 . 2]" 1
758 1 67 LEU H 1 67 LEU QB 3.310 . 3.310 2.364 2.231 2.446 . 0 0 "[ . 1 . 2]" 1
759 1 67 LEU H 1 67 LEU HB3 3.810 . 3.810 3.579 3.501 3.656 . 0 0 "[ . 1 . 2]" 1
760 1 67 LEU H 1 67 LEU QD 3.340 . 3.340 2.684 2.119 3.160 . 0 0 "[ . 1 . 2]" 1
761 1 67 LEU H 1 103 VAL HB 4.530 . 4.530 4.544 4.444 4.587 0.057 12 0 "[ . 1 . 2]" 1
762 1 67 LEU H 1 103 VAL QG 3.630 . 3.630 3.482 3.268 3.651 0.021 20 0 "[ . 1 . 2]" 1
763 1 67 LEU QB 1 67 LEU QD 2.630 . 2.630 1.953 1.926 2.056 . 0 0 "[ . 1 . 2]" 1
764 1 67 LEU QB 1 103 VAL QG 3.640 . 3.640 2.112 1.951 2.328 . 0 0 "[ . 1 . 2]" 1
765 1 68 PRO HA 1 69 GLN H 2.870 . 2.870 2.150 2.107 2.218 . 0 0 "[ . 1 . 2]" 1
766 1 68 PRO QB 1 102 TYR QD 3.510 . 3.510 2.009 1.906 2.388 . 0 0 "[ . 1 . 2]" 1
767 1 68 PRO QB 1 102 TYR QE 3.830 . 3.830 3.007 2.568 3.551 . 0 0 "[ . 1 . 2]" 1
768 1 68 PRO QG 1 102 TYR QD 4.870 . 4.870 3.111 2.354 3.665 . 0 0 "[ . 1 . 2]" 1
769 1 68 PRO QG 1 102 TYR QE 5.500 . 5.500 3.112 2.228 3.751 . 0 0 "[ . 1 . 2]" 1
770 1 69 GLN H 1 69 GLN HB2 4.020 . 4.020 2.468 2.377 2.568 . 0 0 "[ . 1 . 2]" 1
771 1 69 GLN H 1 69 GLN QB 3.440 . 3.440 2.429 2.345 2.520 . 0 0 "[ . 1 . 2]" 1
772 1 69 GLN H 1 69 GLN HB3 4.020 . 4.020 3.612 3.580 3.650 . 0 0 "[ . 1 . 2]" 1
773 1 69 GLN H 1 69 GLN HG2 4.030 . 4.030 3.572 3.396 3.729 . 0 0 "[ . 1 . 2]" 1
774 1 69 GLN H 1 69 GLN HG3 3.420 . 3.420 2.401 2.162 2.619 . 0 0 "[ . 1 . 2]" 1
775 1 69 GLN H 1 70 VAL H 5.320 . 5.320 4.484 4.413 4.546 . 0 0 "[ . 1 . 2]" 1
776 1 69 GLN HA 1 69 GLN HG2 3.960 . 3.960 2.535 2.473 2.624 . 0 0 "[ . 1 . 2]" 1
777 1 69 GLN HA 1 69 GLN HG3 4.030 . 4.030 3.067 2.895 3.227 . 0 0 "[ . 1 . 2]" 1
778 1 69 GLN HA 1 70 VAL H 2.950 . 2.950 2.115 2.067 2.188 . 0 0 "[ . 1 . 2]" 1
779 1 69 GLN HA 1 70 VAL MG1 4.750 . 4.750 3.754 3.530 3.931 . 0 0 "[ . 1 . 2]" 1
780 1 69 GLN HA 1 70 VAL MG2 3.800 . 3.800 3.478 3.356 3.529 . 0 0 "[ . 1 . 2]" 1
781 1 69 GLN HA 1 103 VAL H 3.870 . 3.870 3.036 2.810 3.265 . 0 0 "[ . 1 . 2]" 1
782 1 69 GLN HA 1 103 VAL QG 3.640 . 3.640 2.139 1.917 3.221 . 0 0 "[ . 1 . 2]" 1
783 1 69 GLN QE 1 105 LEU QD 3.390 . 3.390 2.772 1.773 3.441 0.051 9 0 "[ . 1 . 2]" 1
784 1 69 GLN HE21 1 105 LEU QD 4.150 . 4.150 3.147 1.807 4.071 . 0 0 "[ . 1 . 2]" 1
785 1 69 GLN HE22 1 105 LEU QD 4.150 . 4.150 3.157 2.388 3.943 . 0 0 "[ . 1 . 2]" 1
786 1 69 GLN HG2 1 70 VAL MG2 5.500 . 5.500 5.512 5.326 5.572 0.072 10 0 "[ . 1 . 2]" 1
787 1 69 GLN HG2 1 103 VAL QG 4.080 . 4.080 2.128 1.895 2.501 . 0 0 "[ . 1 . 2]" 1
788 1 69 GLN HG2 1 105 LEU QD 4.360 . 4.360 2.670 2.156 3.494 . 0 0 "[ . 1 . 2]" 1
789 1 69 GLN HG3 1 70 VAL H 5.000 . 5.000 4.978 4.846 5.029 0.029 15 0 "[ . 1 . 2]" 1
790 1 69 GLN HG3 1 103 VAL H 5.500 . 5.500 5.273 4.846 5.520 0.020 8 0 "[ . 1 . 2]" 1
791 1 69 GLN HG3 1 103 VAL QG 4.000 . 4.000 3.002 2.581 3.788 . 0 0 "[ . 1 . 2]" 1
792 1 69 GLN HG3 1 105 LEU QD 4.540 . 4.540 3.896 3.487 4.545 0.005 16 0 "[ . 1 . 2]" 1
793 1 70 VAL H 1 70 VAL MG1 3.750 . 3.750 3.019 2.869 3.202 . 0 0 "[ . 1 . 2]" 1
794 1 70 VAL H 1 70 VAL MG2 3.180 . 3.180 2.119 1.959 2.263 . 0 0 "[ . 1 . 2]" 1
795 1 70 VAL H 1 72 THR H 5.500 . 5.500 5.284 4.953 5.542 0.042 3 0 "[ . 1 . 2]" 1
796 1 70 VAL H 1 102 TYR HB3 5.300 . 5.300 4.048 3.775 4.367 . 0 0 "[ . 1 . 2]" 1
797 1 70 VAL H 1 104 ARG HA 4.100 . 4.100 3.243 2.711 3.906 . 0 0 "[ . 1 . 2]" 1
798 1 70 VAL HA 1 71 LEU H 3.190 . 3.190 2.286 2.081 2.538 . 0 0 "[ . 1 . 2]" 1
799 1 70 VAL HB 1 71 LEU H 3.150 . 3.150 2.676 2.280 3.109 . 0 0 "[ . 1 . 2]" 1
800 1 70 VAL HB 1 72 THR H 3.600 . 3.600 2.509 2.158 2.932 . 0 0 "[ . 1 . 2]" 1
801 1 70 VAL HB 1 76 ALA H 5.290 . 5.290 4.549 4.255 4.965 . 0 0 "[ . 1 . 2]" 1
802 1 70 VAL HB 1 76 ALA MB 4.820 . 4.820 3.988 3.673 4.326 . 0 0 "[ . 1 . 2]" 1
803 1 70 VAL MG1 1 71 LEU H 4.060 . 4.060 3.681 3.381 3.845 . 0 0 "[ . 1 . 2]" 1
804 1 70 VAL MG1 1 72 THR H 4.490 . 4.490 4.098 3.817 4.497 0.007 2 0 "[ . 1 . 2]" 1
805 1 70 VAL MG1 1 75 ALA MB 3.970 . 3.970 2.263 1.878 2.687 . 0 0 "[ . 1 . 2]" 1
806 1 70 VAL MG1 1 76 ALA H 5.370 . 5.370 4.407 4.070 4.803 . 0 0 "[ . 1 . 2]" 1
807 1 70 VAL MG1 1 77 ASN H 5.500 . 5.500 5.487 5.015 5.637 0.137 17 0 "[ . 1 . 2]" 1
808 1 70 VAL MG1 1 102 TYR HB2 3.070 . 3.070 2.979 2.706 3.126 0.056 14 0 "[ . 1 . 2]" 1
809 1 70 VAL MG1 1 102 TYR QD 3.240 . 3.240 2.426 2.072 3.179 . 0 0 "[ . 1 . 2]" 1
810 1 70 VAL MG1 1 102 TYR QE 4.250 . 4.250 3.813 3.566 4.280 0.030 13 0 "[ . 1 . 2]" 1
811 1 70 VAL MG2 1 71 LEU H 4.050 . 4.050 3.667 3.257 4.028 . 0 0 "[ . 1 . 2]" 1
812 1 70 VAL MG2 1 72 THR H 3.700 . 3.700 3.322 2.860 3.708 0.008 16 0 "[ . 1 . 2]" 1
813 1 70 VAL MG2 1 75 ALA H 4.700 . 4.700 3.926 3.498 4.719 0.019 10 0 "[ . 1 . 2]" 1
814 1 70 VAL MG2 1 75 ALA MB 3.220 . 3.220 2.547 2.193 2.937 . 0 0 "[ . 1 . 2]" 1
815 1 70 VAL MG2 1 76 ALA H 3.600 . 3.600 2.911 2.501 3.295 . 0 0 "[ . 1 . 2]" 1
816 1 70 VAL MG2 1 76 ALA HA 3.710 . 3.710 2.566 2.312 2.853 . 0 0 "[ . 1 . 2]" 1
817 1 70 VAL MG2 1 76 ALA MB 3.350 . 3.350 1.927 1.772 2.126 . 0 0 "[ . 1 . 2]" 1
818 1 70 VAL MG2 1 77 ASN H 5.000 . 5.000 4.268 3.955 4.602 . 0 0 "[ . 1 . 2]" 1
819 1 70 VAL MG2 1 78 SER H 5.450 . 5.450 4.962 4.579 5.209 . 0 0 "[ . 1 . 2]" 1
820 1 70 VAL MG2 1 102 TYR HB2 4.020 . 4.020 2.690 2.434 3.208 . 0 0 "[ . 1 . 2]" 1
821 1 70 VAL MG2 1 102 TYR HB3 3.900 . 3.900 2.354 2.143 2.582 . 0 0 "[ . 1 . 2]" 1
822 1 70 VAL MG2 1 102 TYR QD 3.900 . 3.900 3.767 3.578 3.910 0.010 2 0 "[ . 1 . 2]" 1
823 1 70 VAL MG2 1 104 ARG HA 4.820 . 4.820 2.917 2.361 3.493 . 0 0 "[ . 1 . 2]" 1
824 1 71 LEU H 1 71 LEU QB 2.940 . 2.940 2.473 2.250 2.950 0.010 12 0 "[ . 1 . 2]" 1
825 1 71 LEU H 1 71 LEU MD1 4.690 . 4.690 3.707 2.262 4.280 . 0 0 "[ . 1 . 2]" 1
826 1 71 LEU H 1 71 LEU QD 3.990 . 3.990 2.879 1.766 3.853 . 0 0 "[ . 1 . 2]" 1
827 1 71 LEU H 1 71 LEU MD2 4.690 . 4.690 3.289 1.768 4.395 . 0 0 "[ . 1 . 2]" 1
828 1 71 LEU H 1 72 THR H 3.130 . 3.130 2.162 2.004 2.639 . 0 0 "[ . 1 . 2]" 1
829 1 71 LEU QB 1 72 THR H 3.530 . 3.530 3.168 2.456 3.638 0.108 12 0 "[ . 1 . 2]" 1
830 1 71 LEU QD 1 72 THR H 4.880 . 4.880 3.763 2.130 4.409 . 0 0 "[ . 1 . 2]" 1
831 1 72 THR H 1 72 THR HB 4.170 . 4.170 3.535 3.379 3.674 . 0 0 "[ . 1 . 2]" 1
832 1 72 THR H 1 72 THR MG 3.160 . 3.160 2.778 2.636 3.018 . 0 0 "[ . 1 . 2]" 1
833 1 72 THR H 1 73 GLU H 4.620 . 4.620 4.478 4.425 4.585 . 0 0 "[ . 1 . 2]" 1
834 1 72 THR HA 1 72 THR MG 3.750 . 3.750 2.259 2.194 2.342 . 0 0 "[ . 1 . 2]" 1
835 1 72 THR HA 1 73 GLU H 3.230 . 3.230 2.264 2.107 2.518 . 0 0 "[ . 1 . 2]" 1
836 1 72 THR HB 1 73 GLU H 3.370 . 3.370 2.897 2.136 3.255 . 0 0 "[ . 1 . 2]" 1
837 1 72 THR HB 1 74 GLU H 3.250 . 3.250 2.665 2.175 3.105 . 0 0 "[ . 1 . 2]" 1
838 1 72 THR HB 1 75 ALA H 3.840 . 3.840 3.105 2.472 3.848 0.008 2 0 "[ . 1 . 2]" 1
839 1 72 THR MG 1 73 GLU H 3.900 . 3.900 3.596 3.120 3.799 . 0 0 "[ . 1 . 2]" 1
840 1 72 THR MG 1 74 GLU H 5.160 . 5.160 4.117 3.765 4.450 . 0 0 "[ . 1 . 2]" 1
841 1 73 GLU H 1 73 GLU QG 3.640 . 3.640 2.409 1.657 3.792 0.152 4 0 "[ . 1 . 2]" 1
842 1 73 GLU H 1 74 GLU H 3.450 . 3.450 2.341 2.149 2.554 . 0 0 "[ . 1 . 2]" 1
843 1 73 GLU H 1 75 ALA H 4.220 . 4.220 4.081 3.750 4.293 0.073 19 0 "[ . 1 . 2]" 1
844 1 73 GLU H 1 76 ALA H 5.050 . 5.050 4.803 4.513 5.068 0.018 16 0 "[ . 1 . 2]" 1
845 1 73 GLU HA 1 73 GLU QG 3.490 . 3.490 3.286 2.333 3.537 0.047 10 0 "[ . 1 . 2]" 1
846 1 73 GLU HA 1 76 ALA H 4.040 . 4.040 3.181 2.679 3.945 . 0 0 "[ . 1 . 2]" 1
847 1 73 GLU HA 1 76 ALA MB 3.750 . 3.750 2.393 1.970 3.315 . 0 0 "[ . 1 . 2]" 1
848 1 73 GLU QG 1 74 GLU H 3.830 . 3.830 2.765 2.083 3.833 0.003 9 0 "[ . 1 . 2]" 1
849 1 73 GLU QG 1 75 ALA H 4.760 . 4.760 4.745 4.479 4.889 0.129 18 0 "[ . 1 . 2]" 1
850 1 73 GLU QG 1 76 ALA H 5.500 . 5.500 5.105 4.449 5.524 0.024 18 0 "[ . 1 . 2]" 1
851 1 74 GLU H 1 74 GLU HB2 3.530 . 3.530 2.468 2.320 2.659 . 0 0 "[ . 1 . 2]" 1
852 1 74 GLU H 1 74 GLU QB 2.900 . 2.900 2.318 2.194 2.591 . 0 0 "[ . 1 . 2]" 1
853 1 74 GLU H 1 74 GLU HB3 3.530 . 3.530 3.084 2.369 3.583 0.053 6 0 "[ . 1 . 2]" 1
854 1 74 GLU H 1 75 ALA H 3.350 . 3.350 2.531 2.342 2.786 . 0 0 "[ . 1 . 2]" 1
855 1 74 GLU H 1 75 ALA MB 5.500 . 5.500 4.285 4.139 4.578 . 0 0 "[ . 1 . 2]" 1
856 1 74 GLU H 1 76 ALA H 4.240 . 4.240 3.847 3.616 4.215 . 0 0 "[ . 1 . 2]" 1
857 1 74 GLU QB 1 75 ALA H 3.230 . 3.230 2.755 2.437 3.213 . 0 0 "[ . 1 . 2]" 1
858 1 75 ALA H 1 75 ALA MB 2.970 . 2.970 2.301 2.240 2.347 . 0 0 "[ . 1 . 2]" 1
859 1 75 ALA H 1 76 ALA MB 4.580 . 4.580 3.929 3.697 4.312 . 0 0 "[ . 1 . 2]" 1
860 1 75 ALA MB 1 76 ALA H 3.590 . 3.590 2.867 2.577 3.278 . 0 0 "[ . 1 . 2]" 1
861 1 76 ALA H 1 76 ALA MB 3.060 . 3.060 2.255 2.201 2.332 . 0 0 "[ . 1 . 2]" 1
862 1 76 ALA H 1 77 ASN H 4.520 . 4.520 4.356 3.992 4.525 0.005 7 0 "[ . 1 . 2]" 1
863 1 76 ALA H 1 102 TYR HB2 4.760 . 4.760 4.251 3.843 4.692 . 0 0 "[ . 1 . 2]" 1
864 1 76 ALA HA 1 77 ASN H 3.170 . 3.170 2.090 1.974 2.236 . 0 0 "[ . 1 . 2]" 1
865 1 76 ALA HA 1 78 SER H 3.780 . 3.780 3.395 3.001 3.814 0.034 15 0 "[ . 1 . 2]" 1
866 1 76 ALA HA 1 102 TYR H 4.610 . 4.610 3.404 2.858 3.970 . 0 0 "[ . 1 . 2]" 1
867 1 76 ALA HA 1 102 TYR HB2 3.520 . 3.520 2.142 1.993 2.438 . 0 0 "[ . 1 . 2]" 1
868 1 76 ALA HA 1 102 TYR QD 4.940 . 4.940 3.864 3.303 4.251 . 0 0 "[ . 1 . 2]" 1
869 1 76 ALA HA 1 104 ARG H 5.500 . 5.500 4.684 4.270 5.054 . 0 0 "[ . 1 . 2]" 1
870 1 76 ALA MB 1 77 ASN H 3.550 . 3.550 2.956 2.436 3.406 . 0 0 "[ . 1 . 2]" 1
871 1 76 ALA MB 1 78 SER H 3.530 . 3.530 2.846 2.362 3.345 . 0 0 "[ . 1 . 2]" 1
872 1 76 ALA MB 1 79 GLU H 4.900 . 4.900 4.834 4.419 4.969 0.069 12 0 "[ . 1 . 2]" 1
873 1 76 ALA MB 1 79 GLU HA 5.000 . 5.000 3.866 3.505 4.102 . 0 0 "[ . 1 . 2]" 1
874 1 76 ALA MB 1 102 TYR HB2 3.580 . 3.580 3.544 3.125 3.634 0.054 10 0 "[ . 1 . 2]" 1
875 1 76 ALA MB 1 102 TYR QD 5.010 . 5.010 4.942 4.522 5.079 0.069 19 0 "[ . 1 . 2]" 1
876 1 76 ALA MB 1 103 VAL HA 4.150 . 4.150 3.622 3.298 4.045 . 0 0 "[ . 1 . 2]" 1
877 1 76 ALA MB 1 104 ARG H 4.050 . 4.050 2.891 2.635 3.150 . 0 0 "[ . 1 . 2]" 1
878 1 76 ALA MB 1 104 ARG HA 4.850 . 4.850 3.395 3.198 3.686 . 0 0 "[ . 1 . 2]" 1
879 1 76 ALA MB 1 104 ARG QD 4.470 . 4.470 3.027 2.490 4.236 . 0 0 "[ . 1 . 2]" 1
880 1 77 ASN H 1 77 ASN QB 3.540 . 3.540 2.688 2.417 3.147 . 0 0 "[ . 1 . 2]" 1
881 1 77 ASN H 1 78 SER H 3.080 . 3.080 2.074 1.828 2.460 . 0 0 "[ . 1 . 2]" 1
882 1 77 ASN H 1 101 LEU QD 5.440 . 5.440 4.781 3.945 5.435 . 0 0 "[ . 1 . 2]" 1
883 1 77 ASN H 1 102 TYR H 4.970 . 4.970 2.646 2.144 3.263 . 0 0 "[ . 1 . 2]" 1
884 1 77 ASN H 1 102 TYR HB2 3.640 . 3.640 3.199 2.603 3.642 0.002 19 0 "[ . 1 . 2]" 1
885 1 77 ASN HA 1 92 THR H 4.690 . 4.690 3.893 3.149 4.191 . 0 0 "[ . 1 . 2]" 1
886 1 77 ASN HA 1 93 LYS H 4.370 . 4.370 3.082 2.440 3.850 . 0 0 "[ . 1 . 2]" 1
887 1 77 ASN HA 1 93 LYS QB 4.760 . 4.760 2.641 1.972 4.587 . 0 0 "[ . 1 . 2]" 1
888 1 77 ASN QB 1 77 ASN QD 3.080 . 3.080 2.181 2.090 2.697 . 0 0 "[ . 1 . 2]" 1
889 1 77 ASN QB 1 78 SER H 4.300 . 4.300 3.372 2.849 3.878 . 0 0 "[ . 1 . 2]" 1
890 1 77 ASN QB 1 92 THR H 4.940 . 4.940 4.389 4.100 4.703 . 0 0 "[ . 1 . 2]" 1
891 1 77 ASN QB 1 93 LYS H 4.090 . 4.090 3.535 2.885 4.074 . 0 0 "[ . 1 . 2]" 1
892 1 77 ASN QD 1 95 VAL QG 3.520 . 3.520 2.396 1.963 3.521 0.001 11 0 "[ . 1 . 2]" 1
893 1 77 ASN QD 1 101 LEU HA 3.650 . 3.650 2.040 1.712 3.271 . 0 0 "[ . 1 . 2]" 1
894 1 77 ASN QD 1 101 LEU QD 4.850 . 4.850 3.808 3.225 4.816 . 0 0 "[ . 1 . 2]" 1
895 1 77 ASN QD 1 102 TYR H 3.910 . 3.910 3.209 2.894 3.784 . 0 0 "[ . 1 . 2]" 1
896 1 77 ASN HD21 1 95 VAL MG1 4.770 . 4.770 3.277 2.338 4.834 0.064 11 0 "[ . 1 . 2]" 1
897 1 77 ASN HD21 1 95 VAL MG2 4.770 . 4.770 2.812 2.158 4.631 . 0 0 "[ . 1 . 2]" 1
898 1 77 ASN HD21 1 101 LEU HA 4.170 . 4.170 2.614 1.722 3.811 . 0 0 "[ . 1 . 2]" 1
899 1 77 ASN HD21 1 102 TYR H 4.540 . 4.540 3.710 2.928 4.542 0.002 12 0 "[ . 1 . 2]" 1
900 1 77 ASN HD22 1 95 VAL MG1 4.770 . 4.770 3.677 2.646 4.497 . 0 0 "[ . 1 . 2]" 1
901 1 77 ASN HD22 1 95 VAL MG2 4.770 . 4.770 3.128 2.395 4.435 . 0 0 "[ . 1 . 2]" 1
902 1 77 ASN HD22 1 101 LEU HA 4.170 . 4.170 2.730 1.739 3.644 . 0 0 "[ . 1 . 2]" 1
903 1 77 ASN HD22 1 102 TYR H 4.540 . 4.540 3.860 2.975 4.574 0.034 19 0 "[ . 1 . 2]" 1
904 1 78 SER H 1 101 LEU QD 5.000 . 5.000 4.346 3.470 5.000 0.000 14 0 "[ . 1 . 2]" 1
905 1 78 SER H 1 102 TYR H 4.570 . 4.570 3.860 3.368 4.410 . 0 0 "[ . 1 . 2]" 1
906 1 78 SER H 1 103 VAL HA 4.580 . 4.580 3.662 3.189 4.604 0.024 17 0 "[ . 1 . 2]" 1
907 1 78 SER HA 1 79 GLU H 3.180 . 3.180 2.219 2.139 2.311 . 0 0 "[ . 1 . 2]" 1
908 1 78 SER HA 1 79 GLU HG2 4.880 . 4.880 3.901 3.375 4.258 . 0 0 "[ . 1 . 2]" 1
909 1 78 SER HA 1 91 VAL HA 3.690 . 3.690 2.324 2.127 2.615 . 0 0 "[ . 1 . 2]" 1
910 1 78 SER HA 1 91 VAL QG 3.900 . 3.900 3.456 3.251 3.698 . 0 0 "[ . 1 . 2]" 1
911 1 78 SER HA 1 92 THR H 3.500 . 3.500 2.552 2.095 2.871 . 0 0 "[ . 1 . 2]" 1
912 1 78 SER HA 1 92 THR MG 3.680 . 3.680 3.288 2.638 3.766 0.086 13 0 "[ . 1 . 2]" 1
913 1 78 SER HA 1 93 LYS H 4.720 . 4.720 4.345 4.004 4.744 0.024 14 0 "[ . 1 . 2]" 1
914 1 78 SER QB 1 79 GLU H 3.450 . 3.450 3.048 2.818 3.264 . 0 0 "[ . 1 . 2]" 1
915 1 78 SER QB 1 92 THR H 5.040 . 5.040 4.250 3.632 4.684 . 0 0 "[ . 1 . 2]" 1
916 1 78 SER QB 1 101 LEU QD 4.260 . 4.260 2.808 2.502 3.336 . 0 0 "[ . 1 . 2]" 1
917 1 78 SER HB2 1 91 VAL QG 4.320 . 4.320 3.999 3.268 4.385 0.065 12 0 "[ . 1 . 2]" 1
918 1 78 SER HB3 1 91 VAL QG 4.320 . 4.320 3.207 2.323 3.655 . 0 0 "[ . 1 . 2]" 1
919 1 79 GLU H 1 79 GLU QB 3.600 . 3.600 3.015 2.820 3.156 . 0 0 "[ . 1 . 2]" 1
920 1 79 GLU H 1 79 GLU HG2 3.480 . 3.480 2.335 2.188 2.575 . 0 0 "[ . 1 . 2]" 1
921 1 79 GLU H 1 79 GLU HG3 4.380 . 4.380 3.089 2.786 3.495 . 0 0 "[ . 1 . 2]" 1
922 1 79 GLU H 1 91 VAL HA 4.270 . 4.270 3.782 3.571 4.245 . 0 0 "[ . 1 . 2]" 1
923 1 79 GLU H 1 92 THR H 4.310 . 4.310 3.929 3.363 4.307 . 0 0 "[ . 1 . 2]" 1
924 1 79 GLU H 1 92 THR MG 4.120 . 4.120 3.301 2.909 3.792 . 0 0 "[ . 1 . 2]" 1
925 1 79 GLU H 1 104 ARG QB 4.740 . 4.740 4.502 4.210 4.812 0.072 19 0 "[ . 1 . 2]" 1
926 1 79 GLU HA 1 80 ILE H 3.140 . 3.140 2.205 2.063 2.303 . 0 0 "[ . 1 . 2]" 1
927 1 79 GLU HA 1 80 ILE MD 3.850 . 3.850 3.565 2.853 3.877 0.027 17 0 "[ . 1 . 2]" 1
928 1 79 GLU HA 1 80 ILE MG 5.500 . 5.500 5.387 5.238 5.459 . 0 0 "[ . 1 . 2]" 1
929 1 79 GLU HA 1 103 VAL HA 4.410 . 4.410 3.896 3.367 4.376 . 0 0 "[ . 1 . 2]" 1
930 1 79 GLU HA 1 103 VAL QG 4.010 . 4.010 3.425 2.705 4.030 0.020 6 0 "[ . 1 . 2]" 1
931 1 79 GLU HA 1 104 ARG H 3.510 . 3.510 2.324 1.999 2.764 . 0 0 "[ . 1 . 2]" 1
932 1 79 GLU HA 1 104 ARG HB2 4.000 . 4.000 3.809 3.303 4.105 0.105 16 0 "[ . 1 . 2]" 1
933 1 79 GLU HA 1 104 ARG HB3 4.000 . 4.000 2.443 2.045 2.835 . 0 0 "[ . 1 . 2]" 1
934 1 79 GLU HA 1 105 LEU QD 5.500 . 5.500 4.861 4.084 5.521 0.021 2 0 "[ . 1 . 2]" 1
935 1 79 GLU QB 1 80 ILE H 3.530 . 3.530 2.770 2.578 3.173 . 0 0 "[ . 1 . 2]" 1
936 1 79 GLU QB 1 81 TYR QD 5.300 . 5.300 4.268 3.309 4.968 . 0 0 "[ . 1 . 2]" 1
937 1 79 GLU HG2 1 81 TYR QD 5.170 . 5.170 4.560 3.666 4.999 . 0 0 "[ . 1 . 2]" 1
938 1 79 GLU HG3 1 80 ILE H 5.000 . 5.000 4.106 3.615 4.504 . 0 0 "[ . 1 . 2]" 1
939 1 79 GLU HG3 1 81 TYR QD 3.800 . 3.800 2.956 2.000 3.379 . 0 0 "[ . 1 . 2]" 1
940 1 79 GLU HG3 1 81 TYR QE 5.100 . 5.100 4.189 2.750 5.001 . 0 0 "[ . 1 . 2]" 1
941 1 79 GLU HG3 1 90 ARG H 4.500 . 4.500 3.525 2.686 4.255 . 0 0 "[ . 1 . 2]" 1
942 1 80 ILE H 1 80 ILE HB 3.370 . 3.370 2.651 2.433 2.895 . 0 0 "[ . 1 . 2]" 1
943 1 80 ILE H 1 80 ILE MD 4.350 . 4.350 3.104 2.465 3.371 . 0 0 "[ . 1 . 2]" 1
944 1 80 ILE H 1 80 ILE MG 3.940 . 3.940 3.828 3.689 3.899 . 0 0 "[ . 1 . 2]" 1
945 1 80 ILE H 1 103 VAL QG 3.810 . 3.810 3.361 3.034 3.727 . 0 0 "[ . 1 . 2]" 1
946 1 80 ILE H 1 104 ARG H 4.880 . 4.880 3.639 3.380 3.929 . 0 0 "[ . 1 . 2]" 1
947 1 80 ILE H 1 104 ARG HA 5.190 . 5.190 4.941 4.799 5.083 . 0 0 "[ . 1 . 2]" 1
948 1 80 ILE H 1 105 LEU HA 3.710 . 3.710 3.006 2.448 3.609 . 0 0 "[ . 1 . 2]" 1
949 1 80 ILE H 1 106 VAL H 4.380 . 4.380 3.893 3.216 4.410 0.030 3 0 "[ . 1 . 2]" 1
950 1 80 ILE HA 1 80 ILE MD 3.430 . 3.430 2.367 2.156 2.845 . 0 0 "[ . 1 . 2]" 1
951 1 80 ILE HA 1 81 TYR H 2.970 . 2.970 2.112 2.014 2.180 . 0 0 "[ . 1 . 2]" 1
952 1 80 ILE HA 1 81 TYR QD 4.280 . 4.280 3.475 3.051 3.909 . 0 0 "[ . 1 . 2]" 1
953 1 80 ILE HA 1 88 TRP H 5.000 . 5.000 4.245 4.007 4.509 . 0 0 "[ . 1 . 2]" 1
954 1 80 ILE HA 1 89 CYS HA 3.800 . 3.800 2.496 2.286 2.714 . 0 0 "[ . 1 . 2]" 1
955 1 80 ILE HA 1 90 ARG H 4.180 . 4.180 3.706 3.342 4.035 . 0 0 "[ . 1 . 2]" 1
956 1 80 ILE HA 1 103 VAL QG 5.030 . 5.030 4.571 4.340 4.939 . 0 0 "[ . 1 . 2]" 1
957 1 80 ILE HB 1 80 ILE MD 3.310 . 3.310 3.046 2.422 3.260 . 0 0 "[ . 1 . 2]" 1
958 1 80 ILE HB 1 105 LEU HA 4.030 . 4.030 2.970 2.429 3.314 . 0 0 "[ . 1 . 2]" 1
959 1 80 ILE HB 1 106 VAL H 5.500 . 5.500 3.820 3.305 4.677 . 0 0 "[ . 1 . 2]" 1
960 1 80 ILE MD 1 81 TYR H 4.990 . 4.990 4.134 3.810 4.621 . 0 0 "[ . 1 . 2]" 1
961 1 80 ILE MD 1 89 CYS HA 4.220 . 4.220 2.572 2.091 3.559 . 0 0 "[ . 1 . 2]" 1
962 1 80 ILE MD 1 89 CYS QB 4.320 . 4.320 2.354 1.823 3.035 . 0 0 "[ . 1 . 2]" 1
963 1 80 ILE QG 1 80 ILE MG 2.590 . 2.590 2.219 2.056 2.292 . 0 0 "[ . 1 . 2]" 1
964 1 80 ILE QG 1 89 CYS HA 5.070 . 5.070 4.023 2.363 4.779 . 0 0 "[ . 1 . 2]" 1
965 1 80 ILE QG 1 103 VAL QG 3.140 . 3.140 2.149 1.813 3.106 . 0 0 "[ . 1 . 2]" 1
966 1 80 ILE MG 1 81 TYR H 3.140 . 3.140 2.783 2.396 2.970 . 0 0 "[ . 1 . 2]" 1
967 1 80 ILE MG 1 81 TYR QD 4.840 . 4.840 4.658 4.420 4.863 0.023 2 0 "[ . 1 . 2]" 1
968 1 80 ILE MG 1 88 TRP H 3.910 . 3.910 3.221 2.811 3.583 . 0 0 "[ . 1 . 2]" 1
969 1 80 ILE MG 1 88 TRP HB2 5.500 . 5.500 5.005 4.552 5.423 . 0 0 "[ . 1 . 2]" 1
970 1 80 ILE MG 1 89 CYS HA 4.590 . 4.590 3.631 2.567 4.318 . 0 0 "[ . 1 . 2]" 1
971 1 81 TYR H 1 81 TYR QD 3.510 . 3.510 2.550 2.188 2.798 . 0 0 "[ . 1 . 2]" 1
972 1 81 TYR H 1 81 TYR QE 4.490 . 4.490 4.150 4.023 4.317 . 0 0 "[ . 1 . 2]" 1
973 1 81 TYR H 1 82 ARG H 5.270 . 5.270 4.373 4.310 4.443 . 0 0 "[ . 1 . 2]" 1
974 1 81 TYR H 1 88 TRP HB2 5.220 . 5.220 3.713 3.436 3.930 . 0 0 "[ . 1 . 2]" 1
975 1 81 TYR H 1 89 CYS HA 4.300 . 4.300 3.666 3.166 4.010 . 0 0 "[ . 1 . 2]" 1
976 1 81 TYR H 1 90 ARG H 5.040 . 5.040 4.620 4.318 4.957 . 0 0 "[ . 1 . 2]" 1
977 1 81 TYR HA 1 81 TYR QD 4.080 . 4.080 3.762 3.732 3.789 . 0 0 "[ . 1 . 2]" 1
978 1 81 TYR HA 1 82 ARG H 3.020 . 3.020 2.385 2.243 2.592 . 0 0 "[ . 1 . 2]" 1
979 1 81 TYR HA 1 106 VAL H 4.690 . 4.690 3.370 2.759 3.642 . 0 0 "[ . 1 . 2]" 1
980 1 81 TYR HA 1 106 VAL HB 4.180 . 4.180 2.339 1.891 3.193 . 0 0 "[ . 1 . 2]" 1
981 1 81 TYR QB 1 82 ARG H 3.430 . 3.430 2.515 2.183 2.939 . 0 0 "[ . 1 . 2]" 1
982 1 81 TYR QB 1 106 VAL H 4.730 . 4.730 4.301 3.455 4.665 . 0 0 "[ . 1 . 2]" 1
983 1 81 TYR HB2 1 82 ARG H 4.260 . 4.260 2.551 2.200 3.006 . 0 0 "[ . 1 . 2]" 1
984 1 81 TYR HB2 1 106 VAL H 5.500 . 5.500 5.271 4.449 5.546 0.046 4 0 "[ . 1 . 2]" 1
985 1 81 TYR HB3 1 82 ARG H 4.260 . 4.260 3.854 3.662 4.152 . 0 0 "[ . 1 . 2]" 1
986 1 81 TYR HB3 1 106 VAL H 5.500 . 5.500 4.566 3.600 5.030 . 0 0 "[ . 1 . 2]" 1
987 1 81 TYR QD 1 82 ARG H 4.080 . 4.080 3.439 2.915 3.854 . 0 0 "[ . 1 . 2]" 1
988 1 81 TYR QD 1 83 LYS HB2 3.180 . 3.180 2.700 2.298 3.205 0.025 8 0 "[ . 1 . 2]" 1
989 1 81 TYR QD 1 83 LYS HB3 4.710 . 4.710 4.119 3.535 4.685 . 0 0 "[ . 1 . 2]" 1
990 1 81 TYR QD 1 88 TRP HB3 5.500 . 5.500 4.632 4.361 5.033 . 0 0 "[ . 1 . 2]" 1
991 1 81 TYR QD 1 89 CYS HA 5.120 . 5.120 4.075 3.152 4.939 . 0 0 "[ . 1 . 2]" 1
992 1 81 TYR QD 1 90 ARG H 4.860 . 4.860 3.746 3.078 4.515 . 0 0 "[ . 1 . 2]" 1
993 1 81 TYR QD 1 90 ARG QB 4.440 . 4.440 4.096 3.833 4.506 0.066 2 0 "[ . 1 . 2]" 1
994 1 81 TYR QD 1 90 ARG QG 4.300 . 4.300 2.912 2.299 4.143 . 0 0 "[ . 1 . 2]" 1
995 1 81 TYR QE 1 83 LYS HB2 3.390 . 3.390 2.319 2.009 2.719 . 0 0 "[ . 1 . 2]" 1
996 1 81 TYR QE 1 83 LYS HB3 3.840 . 3.840 3.304 2.678 3.848 0.008 10 0 "[ . 1 . 2]" 1
997 1 81 TYR QE 1 83 LYS QD 4.660 . 4.660 2.665 1.955 4.646 . 0 0 "[ . 1 . 2]" 1
998 1 81 TYR QE 1 83 LYS QG 3.940 . 3.940 3.607 2.220 3.976 0.036 14 0 "[ . 1 . 2]" 1
999 1 81 TYR QE 1 88 TRP HB2 4.050 . 4.050 3.042 2.770 3.227 . 0 0 "[ . 1 . 2]" 1
1000 1 81 TYR QE 1 88 TRP HB3 4.440 . 4.440 3.441 3.019 3.822 . 0 0 "[ . 1 . 2]" 1
1001 1 81 TYR QE 1 88 TRP HD1 5.500 . 5.500 4.174 3.594 4.856 . 0 0 "[ . 1 . 2]" 1
1002 1 81 TYR QE 1 90 ARG H 4.420 . 4.420 3.517 2.521 4.450 0.030 20 0 "[ . 1 . 2]" 1
1003 1 81 TYR QE 1 90 ARG QB 3.760 . 3.760 2.602 2.035 3.779 0.019 20 0 "[ . 1 . 2]" 1
1004 1 81 TYR QE 1 90 ARG QD 3.780 . 3.780 2.659 2.010 3.789 0.009 4 0 "[ . 1 . 2]" 1
1005 1 81 TYR QE 1 90 ARG QG 4.590 . 4.590 2.220 1.858 2.666 . 0 0 "[ . 1 . 2]" 1
1006 1 82 ARG H 1 82 ARG HB2 3.680 . 3.680 3.707 3.649 3.763 0.083 17 0 "[ . 1 . 2]" 1
1007 1 82 ARG H 1 82 ARG HB3 3.440 . 3.440 2.986 2.610 3.386 . 0 0 "[ . 1 . 2]" 1
1008 1 82 ARG H 1 82 ARG QD 5.050 . 5.050 3.504 1.595 4.403 . 0 0 "[ . 1 . 2]" 1
1009 1 82 ARG H 1 83 LYS H 5.500 . 5.500 4.370 4.197 4.516 . 0 0 "[ . 1 . 2]" 1
1010 1 82 ARG H 1 87 LEU QD 4.820 . 4.820 4.079 3.661 4.877 0.057 11 0 "[ . 1 . 2]" 1
1011 1 82 ARG H 1 88 TRP H 5.500 . 5.500 4.875 4.659 5.121 . 0 0 "[ . 1 . 2]" 1
1012 1 82 ARG H 1 106 VAL HB 4.090 . 4.090 3.780 2.648 4.131 0.041 7 0 "[ . 1 . 2]" 1
1013 1 82 ARG HA 1 83 LYS H 2.970 . 2.970 2.083 1.914 2.208 . 0 0 "[ . 1 . 2]" 1
1014 1 82 ARG HA 1 86 ALA H 4.400 . 4.400 4.302 3.316 4.487 0.087 17 0 "[ . 1 . 2]" 1
1015 1 82 ARG HA 1 87 LEU QD 4.190 . 4.190 2.738 2.341 3.350 . 0 0 "[ . 1 . 2]" 1
1016 1 82 ARG HA 1 88 TRP HD1 4.250 . 4.250 3.186 2.724 3.507 . 0 0 "[ . 1 . 2]" 1
1017 1 82 ARG HA 1 88 TRP HE1 5.500 . 5.500 5.175 4.686 5.538 0.038 9 0 "[ . 1 . 2]" 1
1018 1 82 ARG HB2 1 83 LYS H 3.440 . 3.440 2.976 2.745 3.329 . 0 0 "[ . 1 . 2]" 1
1019 1 82 ARG HB2 1 86 ALA H 4.200 . 4.200 3.853 2.416 4.239 0.039 20 0 "[ . 1 . 2]" 1
1020 1 82 ARG HB2 1 87 LEU QD 3.830 . 3.830 3.106 2.778 3.447 . 0 0 "[ . 1 . 2]" 1
1021 1 82 ARG HB2 1 88 TRP HD1 5.500 . 5.500 5.077 4.775 5.511 0.011 20 0 "[ . 1 . 2]" 1
1022 1 82 ARG HB3 1 87 LEU QD 4.440 . 4.440 2.384 1.909 3.092 . 0 0 "[ . 1 . 2]" 1
1023 1 82 ARG QD 1 83 LYS H 4.780 . 4.780 4.729 4.179 4.901 0.121 17 0 "[ . 1 . 2]" 1
1024 1 82 ARG QD 1 87 LEU QD 5.020 . 5.020 3.829 3.117 4.623 . 0 0 "[ . 1 . 2]" 1
1025 1 83 LYS H 1 83 LYS HB3 3.550 . 3.550 2.837 2.653 3.082 . 0 0 "[ . 1 . 2]" 1
1026 1 83 LYS H 1 86 ALA H 3.690 . 3.690 2.921 2.399 3.532 . 0 0 "[ . 1 . 2]" 1
1027 1 83 LYS H 1 86 ALA MB 3.850 . 3.850 3.711 3.479 3.895 0.045 9 0 "[ . 1 . 2]" 1
1028 1 83 LYS H 1 87 LEU QD 4.580 . 4.580 4.040 3.567 4.343 . 0 0 "[ . 1 . 2]" 1
1029 1 83 LYS H 1 88 TRP H 5.100 . 5.100 4.185 3.720 4.518 . 0 0 "[ . 1 . 2]" 1
1030 1 83 LYS H 1 88 TRP HD1 3.620 . 3.620 2.426 2.069 2.957 . 0 0 "[ . 1 . 2]" 1
1031 1 83 LYS H 1 88 TRP HE1 4.270 . 4.270 3.537 3.031 3.973 . 0 0 "[ . 1 . 2]" 1
1032 1 83 LYS HA 1 84 ASP H 3.290 . 3.290 2.093 1.964 2.221 . 0 0 "[ . 1 . 2]" 1
1033 1 83 LYS HA 1 88 TRP HD1 4.810 . 4.810 4.519 4.314 4.767 . 0 0 "[ . 1 . 2]" 1
1034 1 83 LYS HA 1 88 TRP HE1 5.460 . 5.460 4.819 4.375 5.269 . 0 0 "[ . 1 . 2]" 1
1035 1 83 LYS HB2 1 88 TRP HD1 3.630 . 3.630 3.384 3.113 3.582 . 0 0 "[ . 1 . 2]" 1
1036 1 83 LYS HB2 1 88 TRP HE1 5.150 . 5.150 4.254 3.823 4.730 . 0 0 "[ . 1 . 2]" 1
1037 1 83 LYS HB3 1 84 ASP H 4.130 . 4.130 4.133 3.950 4.227 0.097 9 0 "[ . 1 . 2]" 1
1038 1 83 LYS HB3 1 88 TRP HD1 3.820 . 3.820 2.437 2.163 2.880 . 0 0 "[ . 1 . 2]" 1
1039 1 83 LYS HB3 1 88 TRP HE1 3.390 . 3.390 2.545 2.088 2.972 . 0 0 "[ . 1 . 2]" 1
1040 1 83 LYS QE 1 88 TRP HE1 5.150 . 5.150 4.124 2.472 5.209 0.059 2 0 "[ . 1 . 2]" 1
1041 1 83 LYS QG 1 88 TRP HD1 5.340 . 5.340 4.431 4.058 4.848 . 0 0 "[ . 1 . 2]" 1
1042 1 83 LYS HG2 1 84 ASP H 4.430 . 4.430 3.398 2.874 4.529 0.099 3 0 "[ . 1 . 2]" 1
1043 1 83 LYS HG3 1 84 ASP H 4.430 . 4.430 3.497 2.989 4.539 0.109 19 0 "[ . 1 . 2]" 1
1044 1 84 ASP H 1 85 ASP H 4.010 . 4.010 2.587 2.347 3.009 . 0 0 "[ . 1 . 2]" 1
1045 1 84 ASP QB 1 85 ASP H 3.970 . 3.970 3.816 3.635 4.003 0.033 9 0 "[ . 1 . 2]" 1
1046 1 84 ASP QB 1 86 ALA H 4.730 . 4.730 3.598 3.061 4.360 . 0 0 "[ . 1 . 2]" 1
1047 1 84 ASP QB 1 88 TRP HE1 4.450 . 4.450 3.457 2.427 4.310 . 0 0 "[ . 1 . 2]" 1
1048 1 84 ASP QB 1 88 TRP HZ2 5.440 . 5.440 4.311 2.916 5.447 0.007 17 0 "[ . 1 . 2]" 1
1049 1 85 ASP H 1 85 ASP QB 3.530 . 3.530 3.132 2.857 3.417 . 0 0 "[ . 1 . 2]" 1
1050 1 85 ASP H 1 86 ALA H 3.260 . 3.260 2.736 2.487 3.041 . 0 0 "[ . 1 . 2]" 1
1051 1 85 ASP H 1 86 ALA MB 4.790 . 4.790 4.548 4.312 4.836 0.046 17 0 "[ . 1 . 2]" 1
1052 1 85 ASP HA 1 86 ALA H 3.410 . 3.410 3.050 2.200 3.417 0.007 17 0 "[ . 1 . 2]" 1
1053 1 85 ASP QB 1 86 ALA H 4.410 . 4.410 3.605 3.068 3.990 . 0 0 "[ . 1 . 2]" 1
1054 1 85 ASP HB2 1 86 ALA H 5.150 . 5.150 4.268 3.842 4.538 . 0 0 "[ . 1 . 2]" 1
1055 1 85 ASP HB3 1 86 ALA H 5.150 . 5.150 3.975 3.150 4.432 . 0 0 "[ . 1 . 2]" 1
1056 1 86 ALA H 1 86 ALA MB 3.260 . 3.260 2.414 2.275 2.813 . 0 0 "[ . 1 . 2]" 1
1057 1 86 ALA H 1 87 LEU H 5.040 . 5.040 4.441 4.191 4.565 . 0 0 "[ . 1 . 2]" 1
1058 1 86 ALA H 1 87 LEU QD 5.440 . 5.440 4.567 3.720 4.914 . 0 0 "[ . 1 . 2]" 1
1059 1 86 ALA H 1 88 TRP HD1 4.930 . 4.930 4.323 3.815 4.671 . 0 0 "[ . 1 . 2]" 1
1060 1 86 ALA H 1 88 TRP HE1 5.080 . 5.080 3.836 3.407 4.287 . 0 0 "[ . 1 . 2]" 1
1061 1 86 ALA HA 1 87 LEU H 3.310 . 3.310 2.378 2.256 2.518 . 0 0 "[ . 1 . 2]" 1
1062 1 86 ALA HA 1 87 LEU QD 5.440 . 5.440 3.703 2.862 3.984 . 0 0 "[ . 1 . 2]" 1
1063 1 86 ALA MB 1 87 LEU H 3.070 . 3.070 2.508 2.223 2.705 . 0 0 "[ . 1 . 2]" 1
1064 1 86 ALA MB 1 88 TRP HD1 4.100 . 4.100 3.510 3.134 3.895 . 0 0 "[ . 1 . 2]" 1
1065 1 86 ALA MB 1 88 TRP HE1 3.500 . 3.500 2.401 2.022 2.761 . 0 0 "[ . 1 . 2]" 1
1066 1 87 LEU H 1 87 LEU QB 3.670 . 3.670 2.466 2.273 2.531 . 0 0 "[ . 1 . 2]" 1
1067 1 87 LEU H 1 87 LEU MD1 4.560 . 4.560 3.802 2.541 4.010 . 0 0 "[ . 1 . 2]" 1
1068 1 87 LEU H 1 87 LEU MD2 4.560 . 4.560 3.316 2.301 3.946 . 0 0 "[ . 1 . 2]" 1
1069 1 87 LEU H 1 88 TRP H 4.740 . 4.740 4.397 4.337 4.495 . 0 0 "[ . 1 . 2]" 1
1070 1 87 LEU HA 1 87 LEU MD1 4.690 . 4.690 3.587 2.029 3.865 . 0 0 "[ . 1 . 2]" 1
1071 1 87 LEU HA 1 87 LEU QD 3.290 . 3.290 2.088 1.945 2.381 . 0 0 "[ . 1 . 2]" 1
1072 1 87 LEU HA 1 87 LEU MD2 4.690 . 4.690 2.246 2.037 3.825 . 0 0 "[ . 1 . 2]" 1
1073 1 87 LEU HA 1 88 TRP H 2.980 . 2.980 2.086 2.028 2.151 . 0 0 "[ . 1 . 2]" 1
1074 1 87 LEU HA 1 88 TRP HD1 4.530 . 4.530 3.318 3.017 3.445 . 0 0 "[ . 1 . 2]" 1
1075 1 87 LEU HA 1 88 TRP HE1 5.500 . 5.500 5.297 5.056 5.528 0.028 11 0 "[ . 1 . 2]" 1
1076 1 87 LEU QB 1 88 TRP H 3.830 . 3.830 2.970 2.798 3.168 . 0 0 "[ . 1 . 2]" 1
1077 1 87 LEU QD 1 88 TRP H 3.850 . 3.850 3.508 2.984 3.969 0.119 11 0 "[ . 1 . 2]" 1
1078 1 87 LEU QD 1 88 TRP HD1 5.440 . 5.440 4.600 4.362 4.801 . 0 0 "[ . 1 . 2]" 1
1079 1 87 LEU MD1 1 88 TRP H 4.950 . 4.950 4.647 3.046 4.961 0.011 19 0 "[ . 1 . 2]" 1
1080 1 87 LEU MD2 1 88 TRP H 4.950 . 4.950 3.770 3.538 4.872 . 0 0 "[ . 1 . 2]" 1
1081 1 87 LEU HG 1 88 TRP H 5.020 . 5.020 5.020 4.042 5.093 0.073 3 0 "[ . 1 . 2]" 1
1082 1 88 TRP H 1 88 TRP HB2 3.100 . 3.100 2.649 2.586 2.737 . 0 0 "[ . 1 . 2]" 1
1083 1 88 TRP H 1 88 TRP HB3 3.930 . 3.930 3.769 3.736 3.821 . 0 0 "[ . 1 . 2]" 1
1084 1 88 TRP H 1 88 TRP HD1 3.800 . 3.800 2.909 2.723 3.107 . 0 0 "[ . 1 . 2]" 1
1085 1 88 TRP H 1 89 CYS H 4.640 . 4.640 4.341 4.248 4.407 . 0 0 "[ . 1 . 2]" 1
1086 1 88 TRP HA 1 89 CYS H 3.330 . 3.330 2.197 2.100 2.361 . 0 0 "[ . 1 . 2]" 1
1087 1 88 TRP HB2 1 89 CYS H 4.260 . 4.260 4.003 3.781 4.205 . 0 0 "[ . 1 . 2]" 1
1088 1 88 TRP HB3 1 88 TRP HE3 3.950 . 3.950 2.463 2.407 2.519 . 0 0 "[ . 1 . 2]" 1
1089 1 88 TRP HB3 1 89 CYS H 3.960 . 3.960 2.991 2.691 3.343 . 0 0 "[ . 1 . 2]" 1
1090 1 88 TRP HE3 1 89 CYS H 4.710 . 4.710 4.077 3.665 4.425 . 0 0 "[ . 1 . 2]" 1
1091 1 89 CYS H 1 89 CYS QB 3.030 . 3.030 2.463 2.300 3.032 0.002 18 0 "[ . 1 . 2]" 1
1092 1 89 CYS HA 1 90 ARG H 3.160 . 3.160 2.147 2.088 2.216 . 0 0 "[ . 1 . 2]" 1
1093 1 89 CYS HA 1 90 ARG HA 4.610 . 4.610 4.374 4.327 4.440 . 0 0 "[ . 1 . 2]" 1
1094 1 89 CYS HA 1 90 ARG QG 4.330 . 4.330 3.987 3.832 4.207 . 0 0 "[ . 1 . 2]" 1
1095 1 89 CYS QB 1 90 ARG H 4.060 . 4.060 3.729 3.116 3.883 . 0 0 "[ . 1 . 2]" 1
1096 1 89 CYS HB2 1 90 ARG H 4.690 . 4.690 4.241 3.246 4.407 . 0 0 "[ . 1 . 2]" 1
1097 1 89 CYS HB3 1 90 ARG H 4.690 . 4.690 4.166 3.471 4.380 . 0 0 "[ . 1 . 2]" 1
1098 1 90 ARG H 1 90 ARG QB 3.620 . 3.620 2.862 2.476 3.074 . 0 0 "[ . 1 . 2]" 1
1099 1 90 ARG H 1 90 ARG HG2 4.180 . 4.180 2.854 2.229 4.190 0.010 18 0 "[ . 1 . 2]" 1
1100 1 90 ARG H 1 90 ARG QG 3.540 . 3.540 2.487 2.179 3.093 . 0 0 "[ . 1 . 2]" 1
1101 1 90 ARG H 1 90 ARG HG3 4.180 . 4.180 3.076 2.816 3.512 . 0 0 "[ . 1 . 2]" 1
1102 1 90 ARG H 1 91 VAL H 4.570 . 4.570 4.392 4.329 4.448 . 0 0 "[ . 1 . 2]" 1
1103 1 90 ARG HA 1 91 VAL H 3.120 . 3.120 2.205 2.136 2.290 . 0 0 "[ . 1 . 2]" 1
1104 1 90 ARG HA 1 91 VAL HB 4.820 . 4.820 4.684 4.561 4.759 . 0 0 "[ . 1 . 2]" 1
1105 1 90 ARG HA 1 91 VAL QG 4.470 . 4.470 3.462 3.249 3.685 . 0 0 "[ . 1 . 2]" 1
1106 1 90 ARG QB 1 91 VAL H 3.990 . 3.990 2.830 2.691 3.134 . 0 0 "[ . 1 . 2]" 1
1107 1 90 ARG QD 1 91 VAL H 5.200 . 5.200 5.091 4.494 5.273 0.073 13 0 "[ . 1 . 2]" 1
1108 1 90 ARG HG2 1 91 VAL H 5.500 . 5.500 4.745 3.991 5.184 . 0 0 "[ . 1 . 2]" 1
1109 1 90 ARG HG3 1 91 VAL H 5.500 . 5.500 4.324 3.744 5.198 . 0 0 "[ . 1 . 2]" 1
1110 1 91 VAL H 1 91 VAL HB 3.290 . 3.290 2.520 2.437 2.595 . 0 0 "[ . 1 . 2]" 1
1111 1 91 VAL H 1 91 VAL QG 3.220 . 3.220 2.234 2.047 2.392 . 0 0 "[ . 1 . 2]" 1
1112 1 91 VAL HA 1 92 THR H 3.070 . 3.070 2.150 2.067 2.245 . 0 0 "[ . 1 . 2]" 1
1113 1 91 VAL HA 1 93 LYS H 4.080 . 4.080 3.768 3.560 4.030 . 0 0 "[ . 1 . 2]" 1
1114 1 91 VAL QG 1 92 THR H 3.480 . 3.480 2.830 2.606 3.125 . 0 0 "[ . 1 . 2]" 1
1115 1 91 VAL QG 1 93 LYS H 3.030 . 3.030 2.595 1.976 2.927 . 0 0 "[ . 1 . 2]" 1
1116 1 92 THR H 1 92 THR MG 3.530 . 3.530 2.518 1.930 2.930 . 0 0 "[ . 1 . 2]" 1
1117 1 92 THR H 1 93 LYS H 3.110 . 3.110 2.244 2.026 2.490 . 0 0 "[ . 1 . 2]" 1
1118 1 92 THR H 1 93 LYS QB 5.320 . 5.320 4.549 4.071 5.234 . 0 0 "[ . 1 . 2]" 1
1119 1 92 THR H 1 93 LYS QG 5.500 . 5.500 4.288 3.731 4.982 . 0 0 "[ . 1 . 2]" 1
1120 1 92 THR HA 1 92 THR MG 3.670 . 3.670 2.550 2.208 3.244 . 0 0 "[ . 1 . 2]" 1
1121 1 92 THR MG 1 93 LYS H 4.710 . 4.710 3.644 2.412 4.295 . 0 0 "[ . 1 . 2]" 1
1122 1 93 LYS H 1 93 LYS HB2 3.930 . 3.930 2.878 2.509 3.909 . 0 0 "[ . 1 . 2]" 1
1123 1 93 LYS H 1 93 LYS QB 3.230 . 3.230 2.732 2.470 3.263 0.033 19 0 "[ . 1 . 2]" 1
1124 1 93 LYS H 1 93 LYS HB3 3.930 . 3.930 3.739 3.405 3.868 . 0 0 "[ . 1 . 2]" 1
1125 1 93 LYS H 1 94 VAL H 4.690 . 4.690 4.369 4.262 4.493 . 0 0 "[ . 1 . 2]" 1
1126 1 93 LYS HA 1 94 VAL H 3.020 . 3.020 2.286 2.166 2.533 . 0 0 "[ . 1 . 2]" 1
1127 1 93 LYS QB 1 94 VAL H 3.100 . 3.100 2.610 2.106 2.954 . 0 0 "[ . 1 . 2]" 1
1128 1 93 LYS QE 1 93 LYS QG 2.400 . 2.400 2.298 2.065 2.467 0.067 3 0 "[ . 1 . 2]" 1
1129 1 94 VAL H 1 94 VAL HB 2.920 . 2.920 2.581 2.495 2.885 . 0 0 "[ . 1 . 2]" 1
1130 1 94 VAL H 1 94 VAL MG1 4.040 . 4.040 3.513 1.994 3.810 . 0 0 "[ . 1 . 2]" 1
1131 1 94 VAL H 1 94 VAL QG 2.970 . 2.970 2.113 1.987 2.438 . 0 0 "[ . 1 . 2]" 1
1132 1 94 VAL H 1 94 VAL MG2 4.040 . 4.040 2.397 1.995 3.839 . 0 0 "[ . 1 . 2]" 1
1133 1 94 VAL HA 1 95 VAL H 2.850 . 2.850 2.102 2.016 2.200 . 0 0 "[ . 1 . 2]" 1
1134 1 94 VAL QG 1 95 VAL H 3.430 . 3.430 2.857 2.564 3.164 . 0 0 "[ . 1 . 2]" 1
1135 1 95 VAL H 1 95 VAL HB 3.280 . 3.280 2.907 2.614 3.283 0.003 18 0 "[ . 1 . 2]" 1
1136 1 95 VAL H 1 95 VAL QG 3.260 . 3.260 2.190 1.952 2.440 . 0 0 "[ . 1 . 2]" 1
1137 1 95 VAL QG 1 99 GLY H 4.330 . 4.330 3.386 3.061 3.833 . 0 0 "[ . 1 . 2]" 1
1138 1 95 VAL QG 1 99 GLY QA 4.530 . 4.530 2.706 2.001 3.899 . 0 0 "[ . 1 . 2]" 1
1139 1 96 PRO HA 1 97 SER H 2.830 . 2.830 2.320 2.171 2.525 . 0 0 "[ . 1 . 2]" 1
1140 1 96 PRO QB 1 97 SER H 3.190 . 3.190 2.740 2.409 3.211 0.021 11 0 "[ . 1 . 2]" 1
1141 1 96 PRO HB2 1 97 SER H 3.850 . 3.850 2.961 2.458 3.810 . 0 0 "[ . 1 . 2]" 1
1142 1 96 PRO HB3 1 97 SER H 3.850 . 3.850 3.409 2.847 3.849 . 0 0 "[ . 1 . 2]" 1
1143 1 97 SER H 1 97 SER QB 3.030 . 3.030 2.481 2.263 2.663 . 0 0 "[ . 1 . 2]" 1
1144 1 97 SER H 1 98 GLY H 4.750 . 4.750 4.445 4.305 4.526 . 0 0 "[ . 1 . 2]" 1
1145 1 97 SER HA 1 98 GLY H 2.780 . 2.780 2.142 2.073 2.234 . 0 0 "[ . 1 . 2]" 1
1146 1 97 SER QB 1 98 GLY H 3.920 . 3.920 3.371 3.074 3.728 . 0 0 "[ . 1 . 2]" 1
1147 1 99 GLY H 1 100 LEU H 4.710 . 4.710 4.548 4.418 4.599 . 0 0 "[ . 1 . 2]" 1
1148 1 99 GLY QA 1 100 LEU H 2.800 . 2.800 2.203 2.129 2.285 . 0 0 "[ . 1 . 2]" 1
1149 1 99 GLY QA 1 100 LEU QD 4.010 . 4.010 3.455 2.792 3.833 . 0 0 "[ . 1 . 2]" 1
1150 1 99 GLY HA2 1 100 LEU H 3.400 . 3.400 2.300 2.174 2.499 . 0 0 "[ . 1 . 2]" 1
1151 1 99 GLY HA3 1 100 LEU H 3.400 . 3.400 2.849 2.646 3.036 . 0 0 "[ . 1 . 2]" 1
1152 1 100 LEU H 1 100 LEU HB2 3.810 . 3.810 2.479 2.308 2.630 . 0 0 "[ . 1 . 2]" 1
1153 1 100 LEU H 1 100 LEU QB 3.340 . 3.340 2.439 2.281 2.576 . 0 0 "[ . 1 . 2]" 1
1154 1 100 LEU H 1 100 LEU HB3 3.810 . 3.810 3.625 3.550 3.683 . 0 0 "[ . 1 . 2]" 1
1155 1 100 LEU H 1 100 LEU QD 3.350 . 3.350 2.938 2.454 3.297 . 0 0 "[ . 1 . 2]" 1
1156 1 100 LEU H 1 102 TYR QE 5.500 . 5.500 4.981 4.054 5.552 0.052 19 0 "[ . 1 . 2]" 1
1157 1 100 LEU HA 1 100 LEU QB 2.620 . 2.620 2.369 2.269 2.470 . 0 0 "[ . 1 . 2]" 1
1158 1 100 LEU HA 1 101 LEU H 3.100 . 3.100 2.259 2.075 2.414 . 0 0 "[ . 1 . 2]" 1
1159 1 100 LEU QB 1 101 LEU H 4.410 . 4.410 2.714 2.222 3.310 . 0 0 "[ . 1 . 2]" 1
1160 1 100 LEU QB 1 102 TYR QD 4.600 . 4.600 4.388 4.209 4.609 0.009 6 0 "[ . 1 . 2]" 1
1161 1 100 LEU QB 1 102 TYR QE 3.630 . 3.630 3.419 2.861 3.677 0.047 4 0 "[ . 1 . 2]" 1
1162 1 100 LEU QD 1 101 LEU H 4.730 . 4.730 3.679 3.362 4.125 . 0 0 "[ . 1 . 2]" 1
1163 1 100 LEU QD 1 102 TYR QE 4.490 . 4.490 4.080 3.659 4.476 . 0 0 "[ . 1 . 2]" 1
1164 1 101 LEU H 1 101 LEU QB 3.120 . 3.120 2.962 2.365 3.155 0.035 19 0 "[ . 1 . 2]" 1
1165 1 101 LEU H 1 101 LEU QD 3.950 . 3.950 1.801 1.639 2.004 . 0 0 "[ . 1 . 2]" 1
1166 1 101 LEU H 1 101 LEU HG 2.850 . 2.850 2.883 2.726 3.058 0.208 5 0 "[ . 1 . 2]" 1
1167 1 101 LEU H 1 102 TYR H 4.610 . 4.610 4.379 4.243 4.485 . 0 0 "[ . 1 . 2]" 1
1168 1 101 LEU HA 1 102 TYR H 2.960 . 2.960 2.225 2.049 2.450 . 0 0 "[ . 1 . 2]" 1
1169 1 101 LEU HA 1 102 TYR QD 4.200 . 4.200 3.191 2.641 3.891 . 0 0 "[ . 1 . 2]" 1
1170 1 101 LEU QB 1 102 TYR H 3.750 . 3.750 2.563 2.197 2.922 . 0 0 "[ . 1 . 2]" 1
1171 1 101 LEU QD 1 102 TYR H 4.070 . 4.070 3.927 3.591 4.083 0.013 16 0 "[ . 1 . 2]" 1
1172 1 101 LEU HG 1 102 TYR H 4.210 . 4.210 4.108 3.647 4.250 0.040 2 0 "[ . 1 . 2]" 1
1173 1 102 TYR H 1 102 TYR HB2 3.490 . 3.490 2.622 2.437 2.829 . 0 0 "[ . 1 . 2]" 1
1174 1 102 TYR H 1 102 TYR QD 4.270 . 4.270 2.748 2.176 3.348 . 0 0 "[ . 1 . 2]" 1
1175 1 102 TYR HA 1 102 TYR QD 4.250 . 4.250 2.988 2.695 3.277 . 0 0 "[ . 1 . 2]" 1
1176 1 102 TYR HA 1 102 TYR QE 5.500 . 5.500 4.703 4.558 4.914 . 0 0 "[ . 1 . 2]" 1
1177 1 102 TYR HB3 1 103 VAL H 4.020 . 4.020 2.827 2.484 3.157 . 0 0 "[ . 1 . 2]" 1
1178 1 102 TYR HB3 1 103 VAL QG 4.500 . 4.500 4.314 4.046 4.534 0.034 6 0 "[ . 1 . 2]" 1
1179 1 102 TYR QD 1 103 VAL H 4.660 . 4.660 4.045 3.781 4.287 . 0 0 "[ . 1 . 2]" 1
1180 1 103 VAL H 1 103 VAL HB 3.630 . 3.630 2.942 2.373 3.119 . 0 0 "[ . 1 . 2]" 1
1181 1 103 VAL H 1 103 VAL QG 3.110 . 3.110 2.091 1.946 2.720 . 0 0 "[ . 1 . 2]" 1
1182 1 103 VAL H 1 104 ARG H 4.650 . 4.650 4.392 4.321 4.439 . 0 0 "[ . 1 . 2]" 1
1183 1 103 VAL HA 1 104 ARG H 3.050 . 3.050 2.112 2.034 2.163 . 0 0 "[ . 1 . 2]" 1
1184 1 103 VAL QG 1 104 ARG H 3.290 . 3.290 2.634 2.392 2.945 . 0 0 "[ . 1 . 2]" 1
1185 1 104 ARG H 1 104 ARG HB2 3.840 . 3.840 2.841 2.428 3.097 . 0 0 "[ . 1 . 2]" 1
1186 1 104 ARG H 1 104 ARG HB3 3.840 . 3.840 2.554 2.329 2.736 . 0 0 "[ . 1 . 2]" 1
1187 1 104 ARG H 1 105 LEU QD 4.430 . 4.430 4.167 3.635 4.443 0.013 13 0 "[ . 1 . 2]" 1
1188 1 104 ARG HA 1 104 ARG HG2 3.820 . 3.820 3.128 2.390 3.837 0.017 15 0 "[ . 1 . 2]" 1
1189 1 104 ARG HA 1 104 ARG QG 2.940 . 2.940 2.571 2.356 3.027 0.087 15 0 "[ . 1 . 2]" 1
1190 1 104 ARG HA 1 104 ARG HG3 3.820 . 3.820 2.830 2.489 3.737 . 0 0 "[ . 1 . 2]" 1
1191 1 104 ARG HA 1 105 LEU H 3.040 . 3.040 2.172 2.074 2.323 . 0 0 "[ . 1 . 2]" 1
1192 1 104 ARG HA 1 105 LEU QD 4.080 . 4.080 3.376 2.818 4.106 0.026 16 0 "[ . 1 . 2]" 1
1193 1 105 LEU H 1 105 LEU QB 3.100 . 3.100 2.468 2.342 3.023 . 0 0 "[ . 1 . 2]" 1
1194 1 105 LEU H 1 105 LEU QD 3.430 . 3.430 2.540 1.653 3.326 . 0 0 "[ . 1 . 2]" 1
1195 1 105 LEU HA 1 105 LEU QD 3.550 . 3.550 2.474 1.962 3.264 . 0 0 "[ . 1 . 2]" 1
1196 1 105 LEU HA 1 106 VAL H 3.040 . 3.040 2.185 2.019 2.332 . 0 0 "[ . 1 . 2]" 1
1197 1 105 LEU QD 1 106 VAL H 4.090 . 4.090 3.806 3.169 4.213 0.123 17 0 "[ . 1 . 2]" 1
1198 1 106 VAL H 1 106 VAL HB 3.350 . 3.350 2.538 2.385 2.633 . 0 0 "[ . 1 . 2]" 1
1199 1 106 VAL H 1 107 THR H 4.730 . 4.730 4.273 3.110 4.644 . 0 0 "[ . 1 . 2]" 1
1200 1 106 VAL HA 1 107 THR H 2.830 . 2.830 2.126 2.001 2.561 . 0 0 "[ . 1 . 2]" 1
1201 1 106 VAL HB 1 107 THR H 4.210 . 4.210 4.194 3.849 4.327 0.117 20 0 "[ . 1 . 2]" 1
1202 1 107 THR HA 1 108 GLU H 3.020 . 3.020 2.366 2.075 3.071 0.051 4 0 "[ . 1 . 2]" 1
1203 1 111 GLY QA 1 112 ALA H 3.470 . 3.470 2.469 2.114 2.839 . 0 0 "[ . 1 . 2]" 1
1204 1 120 PRO HA 1 121 VAL H 3.050 . 3.050 2.201 2.101 2.393 . 0 0 "[ . 1 . 2]" 1
1205 1 120 PRO QB 1 121 VAL H 4.100 . 4.100 3.233 2.660 3.548 . 0 0 "[ . 1 . 2]" 1
1206 1 121 VAL H 1 121 VAL HB 3.700 . 3.700 3.086 2.506 3.746 0.046 9 0 "[ . 1 . 2]" 1
1207 1 121 VAL H 1 121 VAL QG 3.340 . 3.340 2.185 1.889 2.761 . 0 0 "[ . 1 . 2]" 1
1208 1 121 VAL H 1 122 GLU H 5.500 . 5.500 3.677 1.642 4.549 . 0 0 "[ . 1 . 2]" 1
1209 1 121 VAL HA 1 122 GLU H 3.130 . 3.130 2.480 2.001 3.340 0.210 8 0 "[ . 1 . 2]" 1
1210 1 121 VAL HB 1 122 GLU H 5.280 . 5.280 3.806 2.303 4.425 . 0 0 "[ . 1 . 2]" 1
1211 1 121 VAL QG 1 122 GLU H 4.590 . 4.590 2.949 1.813 3.722 . 0 0 "[ . 1 . 2]" 1
1212 1 122 GLU H 1 122 GLU QB 3.410 . 3.410 2.674 2.221 3.414 0.004 7 0 "[ . 1 . 2]" 1
1213 1 122 GLU H 1 122 GLU QG 4.590 . 4.590 3.079 1.955 4.531 . 0 0 "[ . 1 . 2]" 1
1214 1 126 LEU HA 1 127 ALA H 3.510 . 3.510 2.825 2.155 3.527 0.017 15 0 "[ . 1 . 2]" 1
1215 1 126 LEU QB 1 127 ALA H 4.150 . 4.150 2.844 2.065 4.006 . 0 0 "[ . 1 . 2]" 1
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