NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
485891 |
2khn   |
16250 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2khn
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 1533
_Distance_constraint_stats_list.Viol_count 1607
_Distance_constraint_stats_list.Viol_total 2111.132
_Distance_constraint_stats_list.Viol_max 0.751
_Distance_constraint_stats_list.Viol_rms 0.0208
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.0657
_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 15 PRO 1.104 0.207 19 0 "[ . 1 . 2]"
1 16 THR 1.395 0.207 19 0 "[ . 1 . 2]"
1 17 PRO 1.909 0.200 20 0 "[ . 1 . 2]"
1 18 PHE 1.617 0.200 20 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 SER 0.309 0.174 4 0 "[ . 1 . 2]"
1 22 LEU 1.740 0.363 8 0 "[ . 1 . 2]"
1 23 ASP 3.464 0.363 8 0 "[ . 1 . 2]"
1 24 THR 1.452 0.183 12 0 "[ . 1 . 2]"
1 25 TRP 3.803 0.338 1 0 "[ . 1 . 2]"
1 26 ALA 3.358 0.338 1 0 "[ . 1 . 2]"
1 27 ILE 1.537 0.080 2 0 "[ . 1 . 2]"
1 28 THR 1.520 0.123 1 0 "[ . 1 . 2]"
1 29 VAL 2.306 0.178 2 0 "[ . 1 . 2]"
1 30 GLU 3.173 0.172 1 0 "[ . 1 . 2]"
1 31 GLU 2.325 0.123 1 0 "[ . 1 . 2]"
1 32 ARG 3.250 0.232 2 0 "[ . 1 . 2]"
1 33 ALA 3.216 0.232 2 0 "[ . 1 . 2]"
1 34 LYS 1.800 0.250 17 0 "[ . 1 . 2]"
1 35 HIS 3.394 0.181 17 0 "[ . 1 . 2]"
1 36 ASP 3.143 0.164 9 0 "[ . 1 . 2]"
1 37 GLN 0.079 0.079 18 0 "[ . 1 . 2]"
1 38 GLN 0.910 0.115 6 0 "[ . 1 . 2]"
1 39 PHE 2.250 0.205 14 0 "[ . 1 . 2]"
1 40 HIS 0.648 0.079 18 0 "[ . 1 . 2]"
1 41 SER 2.752 0.149 3 0 "[ . 1 . 2]"
1 42 LEU 1.026 0.200 11 0 "[ . 1 . 2]"
1 43 LYS 0.762 0.200 11 0 "[ . 1 . 2]"
1 44 PRO 3.111 0.159 11 0 "[ . 1 . 2]"
1 45 ILE 1.546 0.159 11 0 "[ . 1 . 2]"
1 46 SER 1.389 0.751 6 2 "[ .+ - . 2]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 PHE 3.305 0.751 6 2 "[ .+ - . 2]"
1 49 ILE 0.504 0.101 16 0 "[ . 1 . 2]"
1 50 THR 1.920 0.229 17 0 "[ . 1 . 2]"
1 51 GLY 0.631 0.122 2 0 "[ . 1 . 2]"
1 52 ASP 0.255 0.103 4 0 "[ . 1 . 2]"
1 53 GLN 0.100 0.082 18 0 "[ . 1 . 2]"
1 54 ALA 0.996 0.130 6 0 "[ . 1 . 2]"
1 55 ARG 0.874 0.268 12 0 "[ . 1 . 2]"
1 56 ASN 1.106 0.180 4 0 "[ . 1 . 2]"
1 57 PHE 0.486 0.148 1 0 "[ . 1 . 2]"
1 58 PHE 0.575 0.102 10 0 "[ . 1 . 2]"
1 59 PHE 0.987 0.088 18 0 "[ . 1 . 2]"
1 60 GLN 1.936 0.108 4 0 "[ . 1 . 2]"
1 61 SER 0.421 0.087 5 0 "[ . 1 . 2]"
1 62 GLY 0.116 0.045 4 0 "[ . 1 . 2]"
1 63 LEU 1.785 0.158 20 0 "[ . 1 . 2]"
1 64 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLN 0.229 0.067 11 0 "[ . 1 . 2]"
1 66 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 VAL 0.648 0.121 15 0 "[ . 1 . 2]"
1 68 LEU 1.720 0.117 14 0 "[ . 1 . 2]"
1 69 ALA 2.186 0.117 14 0 "[ . 1 . 2]"
1 70 GLN 3.998 0.200 4 0 "[ . 1 . 2]"
1 71 ILE 3.423 0.151 2 0 "[ . 1 . 2]"
1 72 TRP 4.877 0.243 2 0 "[ . 1 . 2]"
1 73 ALA 3.069 0.243 2 0 "[ . 1 . 2]"
1 74 LEU 4.260 0.195 2 0 "[ . 1 . 2]"
1 75 ALA 3.629 0.163 17 0 "[ . 1 . 2]"
1 76 ASP 3.941 0.238 16 0 "[ . 1 . 2]"
1 77 MET 2.213 0.135 4 0 "[ . 1 . 2]"
1 78 ASN 1.142 0.135 4 0 "[ . 1 . 2]"
1 79 ASN 1.450 0.128 2 0 "[ . 1 . 2]"
1 80 ASP 1.678 0.200 7 0 "[ . 1 . 2]"
1 81 GLY 0.284 0.080 12 0 "[ . 1 . 2]"
1 82 ARG 3.582 0.200 7 0 "[ . 1 . 2]"
1 83 MET 4.108 0.160 2 0 "[ . 1 . 2]"
1 84 ASP 1.276 0.127 14 0 "[ . 1 . 2]"
1 85 GLN 8.617 0.730 11 2 "[ . 1+ .- 2]"
1 86 VAL 0.365 0.071 7 0 "[ . 1 . 2]"
1 87 GLU 0.435 0.081 5 0 "[ . 1 . 2]"
1 88 PHE 3.383 0.730 11 2 "[ . 1+ .- 2]"
1 89 SER 2.520 0.251 6 0 "[ . 1 . 2]"
1 90 ILE 1.037 0.090 4 0 "[ . 1 . 2]"
1 91 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 MET 0.003 0.003 1 0 "[ . 1 . 2]"
1 93 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 LEU 5.879 0.200 3 0 "[ . 1 . 2]"
1 95 ILE 2.929 0.107 6 0 "[ . 1 . 2]"
1 96 LYS 0.885 0.181 17 0 "[ . 1 . 2]"
1 97 LEU 0.719 0.092 8 0 "[ . 1 . 2]"
1 98 LYS 2.017 0.250 18 0 "[ . 1 . 2]"
1 99 LEU 1.279 0.158 20 0 "[ . 1 . 2]"
1 100 GLN 0.038 0.020 19 0 "[ . 1 . 2]"
1 101 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 TYR 2.607 0.235 6 0 "[ . 1 . 2]"
1 103 GLN 2.151 0.235 6 0 "[ . 1 . 2]"
1 105 PRO 1.818 0.195 2 0 "[ . 1 . 2]"
1 106 SER 4.672 0.234 16 0 "[ . 1 . 2]"
1 107 ALA 4.385 0.234 16 0 "[ . 1 . 2]"
1 108 LEU 1.605 0.221 15 0 "[ . 1 . 2]"
1 110 PRO 0.400 0.077 12 0 "[ . 1 . 2]"
1 111 VAL 2.109 0.131 1 0 "[ . 1 . 2]"
1 112 MET 1.211 0.131 1 0 "[ . 1 . 2]"
1 113 LYS 1.809 0.189 13 0 "[ . 1 . 2]"
1 114 GLN 3.427 0.431 1 0 "[ . 1 . 2]"
1 115 GLN 2.538 0.431 1 0 "[ . 1 . 2]"
1 116 PRO 1.845 0.193 12 0 "[ . 1 . 2]"
1 117 VAL 3.079 0.274 6 0 "[ . 1 . 2]"
1 118 ALA 1.585 0.274 6 0 "[ . 1 . 2]"
1 119 ILE 0.672 0.211 9 0 "[ . 1 . 2]"
1 120 SER 0.075 0.029 6 0 "[ . 1 . 2]"
1 121 SER 0.000 0.000 . 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 15 PRO HA 1 16 THR H 2.990 . 2.990 2.215 2.089 2.744 . 0 0 "[ . 1 . 2]" 1
2 1 15 PRO QD 1 16 THR H 5.500 . 5.500 4.848 4.469 4.996 . 0 0 "[ . 1 . 2]" 1
3 1 15 PRO HG2 1 16 THR H 5.500 . 5.500 5.152 3.737 5.707 0.207 19 0 "[ . 1 . 2]" 1
4 1 15 PRO HG3 1 16 THR H 5.500 . 5.500 5.295 4.484 5.624 0.124 8 0 "[ . 1 . 2]" 1
5 1 16 THR H 1 16 THR HB 3.920 . 3.920 3.182 2.473 3.792 . 0 0 "[ . 1 . 2]" 1
6 1 16 THR HB 1 17 PRO HD2 4.690 . 4.690 3.638 1.826 4.855 0.165 9 0 "[ . 1 . 2]" 1
7 1 16 THR HB 1 17 PRO QD 4.290 . 4.290 3.276 1.704 4.302 0.012 9 0 "[ . 1 . 2]" 1
8 1 16 THR HB 1 17 PRO HD3 4.690 . 4.690 3.960 1.714 4.804 0.114 9 0 "[ . 1 . 2]" 1
9 1 16 THR MG 1 17 PRO HD2 6.460 . 6.460 3.730 2.507 4.657 . 0 0 "[ . 1 . 2]" 1
10 1 16 THR MG 1 17 PRO QD 6.210 . 6.210 3.353 2.403 4.116 . 0 0 "[ . 1 . 2]" 1
11 1 16 THR MG 1 17 PRO HD3 6.460 . 6.460 3.930 3.080 4.733 . 0 0 "[ . 1 . 2]" 1
12 1 17 PRO HA 1 18 PHE H 3.520 . 3.520 2.385 2.098 3.484 . 0 0 "[ . 1 . 2]" 1
13 1 17 PRO HB2 1 18 PHE QD 5.500 . 5.500 4.732 2.262 5.504 0.004 7 0 "[ . 1 . 2]" 1
14 1 17 PRO HB3 1 18 PHE QD 5.500 . 5.500 5.082 3.897 5.498 . 0 0 "[ . 1 . 2]" 1
15 1 17 PRO HD2 1 18 PHE H 5.500 . 5.500 5.096 1.918 5.611 0.111 12 0 "[ . 1 . 2]" 1
16 1 17 PRO HD3 1 18 PHE H 5.500 . 5.500 5.425 3.417 5.700 0.200 20 0 "[ . 1 . 2]" 1
17 1 17 PRO QG 1 18 PHE QD 6.390 . 6.390 5.286 2.142 6.078 . 0 0 "[ . 1 . 2]" 1
18 1 18 PHE H 1 18 PHE QB 3.890 . 3.890 2.973 2.483 3.383 . 0 0 "[ . 1 . 2]" 1
19 1 18 PHE H 1 18 PHE QD 5.500 . 5.500 2.748 1.658 3.589 . 0 0 "[ . 1 . 2]" 1
20 1 19 GLY H 1 20 GLY H 5.000 . 5.000 3.653 2.113 4.601 . 0 0 "[ . 1 . 2]" 1
21 1 20 GLY H 1 21 SER H 5.340 . 5.340 3.805 2.338 4.575 . 0 0 "[ . 1 . 2]" 1
22 1 21 SER H 1 22 LEU H 4.940 . 4.940 3.668 1.965 4.599 . 0 0 "[ . 1 . 2]" 1
23 1 21 SER HA 1 22 LEU H 3.140 . 3.140 2.573 2.140 3.314 0.174 4 0 "[ . 1 . 2]" 1
24 1 21 SER HB2 1 22 LEU H 4.600 . 4.600 3.787 2.565 4.561 . 0 0 "[ . 1 . 2]" 1
25 1 21 SER HB3 1 22 LEU H 4.600 . 4.600 3.783 2.120 4.480 . 0 0 "[ . 1 . 2]" 1
26 1 22 LEU H 1 22 LEU HB2 3.860 . 3.860 2.849 2.329 3.830 . 0 0 "[ . 1 . 2]" 1
27 1 22 LEU H 1 22 LEU QB 3.500 . 3.500 2.621 2.217 3.383 . 0 0 "[ . 1 . 2]" 1
28 1 22 LEU H 1 22 LEU HB3 3.860 . 3.860 3.384 2.529 4.047 0.187 7 0 "[ . 1 . 2]" 1
29 1 22 LEU H 1 22 LEU HG 5.500 . 5.500 3.924 2.383 4.950 . 0 0 "[ . 1 . 2]" 1
30 1 22 LEU H 1 23 ASP H 4.790 . 4.790 3.476 1.721 4.553 . 0 0 "[ . 1 . 2]" 1
31 1 22 LEU HA 1 22 LEU MD2 4.690 . 4.690 3.231 1.913 3.903 . 0 0 "[ . 1 . 2]" 1
32 1 22 LEU HA 1 23 ASP H 3.330 . 3.330 2.688 2.047 3.418 0.088 3 0 "[ . 1 . 2]" 1
33 1 22 LEU HB2 1 23 ASP H 4.070 . 4.070 3.794 2.795 4.433 0.363 8 0 "[ . 1 . 2]" 1
34 1 22 LEU HB3 1 23 ASP H 4.070 . 4.070 3.301 1.514 4.175 0.105 8 0 "[ . 1 . 2]" 1
35 1 22 LEU MD1 1 23 ASP H 6.520 . 6.520 4.045 2.020 5.204 . 0 0 "[ . 1 . 2]" 1
36 1 22 LEU MD2 1 23 ASP H 6.520 . 6.520 4.002 2.684 5.003 . 0 0 "[ . 1 . 2]" 1
37 1 22 LEU HG 1 23 ASP H 5.500 . 5.500 3.912 1.443 5.139 . 0 0 "[ . 1 . 2]" 1
38 1 23 ASP H 1 23 ASP HB2 3.700 . 3.700 3.280 2.450 3.895 0.195 10 0 "[ . 1 . 2]" 1
39 1 23 ASP H 1 23 ASP HB3 3.700 . 3.700 3.420 2.710 4.009 0.309 17 0 "[ . 1 . 2]" 1
40 1 23 ASP H 1 24 THR H 4.070 . 4.070 3.326 2.485 4.253 0.183 12 0 "[ . 1 . 2]" 1
41 1 23 ASP HA 1 24 THR H 3.170 . 3.170 2.558 2.101 3.082 . 0 0 "[ . 1 . 2]" 1
42 1 23 ASP HA 1 25 TRP H 5.040 . 5.040 3.695 3.088 4.458 . 0 0 "[ . 1 . 2]" 1
43 1 23 ASP HA 1 26 ALA H 5.100 . 5.100 3.581 2.781 4.634 . 0 0 "[ . 1 . 2]" 1
44 1 23 ASP HA 1 26 ALA MB 6.360 . 6.360 3.111 1.827 4.528 . 0 0 "[ . 1 . 2]" 1
45 1 23 ASP QB 1 26 ALA H 5.020 . 5.020 3.736 2.917 5.090 0.070 14 0 "[ . 1 . 2]" 1
46 1 23 ASP HB2 1 24 THR H 5.190 . 5.190 4.221 3.306 4.505 . 0 0 "[ . 1 . 2]" 1
47 1 23 ASP HB2 1 26 ALA MB 6.520 . 6.520 3.197 1.564 5.125 . 0 0 "[ . 1 . 2]" 1
48 1 23 ASP HB3 1 24 THR H 5.190 . 5.190 4.294 3.810 4.629 . 0 0 "[ . 1 . 2]" 1
49 1 23 ASP HB3 1 26 ALA MB 6.520 . 6.520 2.837 1.547 4.410 . 0 0 "[ . 1 . 2]" 1
50 1 24 THR H 1 24 THR HB 3.580 . 3.580 2.688 2.539 3.455 . 0 0 "[ . 1 . 2]" 1
51 1 24 THR H 1 25 TRP H 3.670 . 3.670 2.413 1.773 2.970 . 0 0 "[ . 1 . 2]" 1
52 1 24 THR H 1 25 TRP HD1 5.500 . 5.500 4.795 3.986 5.534 0.034 2 0 "[ . 1 . 2]" 1
53 1 24 THR H 1 26 ALA H 5.500 . 5.500 3.570 2.833 4.092 . 0 0 "[ . 1 . 2]" 1
54 1 24 THR HA 1 26 ALA H 4.660 . 4.660 4.093 3.453 4.683 0.023 12 0 "[ . 1 . 2]" 1
55 1 24 THR HB 1 25 TRP H 3.640 . 3.640 2.677 2.001 2.997 . 0 0 "[ . 1 . 2]" 1
56 1 24 THR HB 1 25 TRP HD1 4.910 . 4.910 3.602 3.026 4.251 . 0 0 "[ . 1 . 2]" 1
57 1 24 THR HB 1 25 TRP HE1 5.500 . 5.500 4.608 4.090 5.142 . 0 0 "[ . 1 . 2]" 1
58 1 24 THR HB 1 26 ALA H 4.690 . 4.690 4.681 4.075 4.855 0.165 9 0 "[ . 1 . 2]" 1
59 1 24 THR MG 1 25 TRP H 6.520 . 6.520 3.712 3.291 3.967 . 0 0 "[ . 1 . 2]" 1
60 1 24 THR MG 1 25 TRP HA 6.520 . 6.520 3.865 3.507 5.189 . 0 0 "[ . 1 . 2]" 1
61 1 24 THR MG 1 25 TRP HD1 6.520 . 6.520 4.488 3.056 5.468 . 0 0 "[ . 1 . 2]" 1
62 1 24 THR MG 1 25 TRP HE1 6.490 . 6.490 4.571 3.122 5.794 . 0 0 "[ . 1 . 2]" 1
63 1 24 THR MG 1 26 ALA H 6.520 . 6.520 4.898 4.493 5.325 . 0 0 "[ . 1 . 2]" 1
64 1 24 THR MG 1 97 LEU MD1 6.700 . 6.700 3.010 1.721 5.825 . 0 0 "[ . 1 . 2]" 1
65 1 24 THR MG 1 97 LEU MD2 7.540 . 7.540 3.350 1.925 5.988 . 0 0 "[ . 1 . 2]" 1
66 1 24 THR MG 1 102 TYR QD 8.650 . 8.650 5.425 3.483 7.104 . 0 0 "[ . 1 . 2]" 1
67 1 24 THR MG 1 102 TYR QE 8.650 . 8.650 4.904 3.035 7.469 . 0 0 "[ . 1 . 2]" 1
68 1 25 TRP H 1 25 TRP HB2 3.670 . 3.670 2.365 2.210 2.517 . 0 0 "[ . 1 . 2]" 1
69 1 25 TRP H 1 25 TRP HB3 3.580 . 3.580 3.592 3.503 3.661 0.081 12 0 "[ . 1 . 2]" 1
70 1 25 TRP H 1 25 TRP HD1 4.820 . 4.820 3.337 2.650 3.929 . 0 0 "[ . 1 . 2]" 1
71 1 25 TRP H 1 26 ALA H 2.960 . 2.960 2.318 2.023 2.693 . 0 0 "[ . 1 . 2]" 1
72 1 25 TRP H 1 26 ALA MB 6.520 . 6.520 3.933 3.659 4.139 . 0 0 "[ . 1 . 2]" 1
73 1 25 TRP H 1 111 VAL MG2 6.210 . 6.210 5.572 4.763 6.232 0.022 9 0 "[ . 1 . 2]" 1
74 1 25 TRP HB2 1 26 ALA H 4.820 . 4.820 3.390 2.950 3.921 . 0 0 "[ . 1 . 2]" 1
75 1 25 TRP HB2 1 111 VAL MG2 5.870 . 5.870 4.088 3.068 4.784 . 0 0 "[ . 1 . 2]" 1
76 1 25 TRP HB3 1 26 ALA H 3.920 . 3.920 4.031 3.835 4.258 0.338 1 0 "[ . 1 . 2]" 1
77 1 25 TRP HB3 1 111 VAL MG1 6.520 . 6.520 4.083 2.155 5.570 . 0 0 "[ . 1 . 2]" 1
78 1 25 TRP HB3 1 111 VAL MG2 5.060 . 5.060 4.180 3.356 5.074 0.014 19 0 "[ . 1 . 2]" 1
79 1 25 TRP HD1 1 111 VAL MG2 6.520 . 6.520 5.562 4.167 6.531 0.011 3 0 "[ . 1 . 2]" 1
80 1 25 TRP HE1 1 102 TYR QD 7.630 . 7.630 5.404 3.081 7.637 0.007 11 0 "[ . 1 . 2]" 1
81 1 25 TRP HH2 1 94 LEU MD1 6.520 . 6.520 3.796 2.617 4.768 . 0 0 "[ . 1 . 2]" 1
82 1 25 TRP HH2 1 94 LEU MD2 6.520 . 6.520 5.450 4.781 6.041 . 0 0 "[ . 1 . 2]" 1
83 1 25 TRP HH2 1 94 LEU HG 5.040 . 5.040 4.980 4.114 5.148 0.108 16 0 "[ . 1 . 2]" 1
84 1 25 TRP HH2 1 97 LEU MD1 6.520 . 6.520 4.350 2.519 5.532 . 0 0 "[ . 1 . 2]" 1
85 1 25 TRP HH2 1 97 LEU MD2 6.520 . 6.520 3.151 1.950 4.914 . 0 0 "[ . 1 . 2]" 1
86 1 25 TRP HH2 1 102 TYR QB 6.380 . 6.380 3.904 2.305 5.496 . 0 0 "[ . 1 . 2]" 1
87 1 25 TRP HZ2 1 97 LEU MD1 6.520 . 6.520 4.314 2.688 5.929 . 0 0 "[ . 1 . 2]" 1
88 1 25 TRP HZ2 1 97 LEU MD2 6.520 . 6.520 3.830 2.478 5.831 . 0 0 "[ . 1 . 2]" 1
89 1 25 TRP HZ2 1 102 TYR QB 6.380 . 6.380 3.831 2.133 5.327 . 0 0 "[ . 1 . 2]" 1
90 1 25 TRP HZ3 1 94 LEU QD 6.980 . 6.980 2.710 2.063 3.161 . 0 0 "[ . 1 . 2]" 1
91 1 25 TRP HZ3 1 97 LEU MD2 6.520 . 6.520 3.251 2.219 4.310 . 0 0 "[ . 1 . 2]" 1
92 1 26 ALA H 1 26 ALA MB 3.640 . 3.640 2.310 2.228 2.529 . 0 0 "[ . 1 . 2]" 1
93 1 26 ALA H 1 27 ILE H 4.850 . 4.850 4.542 4.397 4.629 . 0 0 "[ . 1 . 2]" 1
94 1 26 ALA H 1 111 VAL MG1 5.810 . 5.810 3.833 2.750 5.045 . 0 0 "[ . 1 . 2]" 1
95 1 26 ALA H 1 111 VAL MG2 5.710 . 5.710 5.276 3.966 5.752 0.042 9 0 "[ . 1 . 2]" 1
96 1 26 ALA HA 1 27 ILE H 2.800 . 2.800 2.331 2.137 2.688 . 0 0 "[ . 1 . 2]" 1
97 1 26 ALA HA 1 111 VAL MG1 6.430 . 6.430 2.321 1.921 3.670 . 0 0 "[ . 1 . 2]" 1
98 1 26 ALA HA 1 111 VAL MG2 6.330 . 6.330 4.485 2.528 5.032 . 0 0 "[ . 1 . 2]" 1
99 1 26 ALA MB 1 28 THR H 6.520 . 6.520 4.120 3.690 4.813 . 0 0 "[ . 1 . 2]" 1
100 1 26 ALA MB 1 28 THR HA 6.520 . 6.520 4.512 4.163 4.938 . 0 0 "[ . 1 . 2]" 1
101 1 26 ALA MB 1 28 THR HB 6.520 . 6.520 5.565 4.271 6.205 . 0 0 "[ . 1 . 2]" 1
102 1 26 ALA MB 1 111 VAL HB 6.520 . 6.520 4.227 2.949 5.119 . 0 0 "[ . 1 . 2]" 1
103 1 26 ALA MB 1 111 VAL MG1 6.450 . 6.450 2.423 1.858 3.948 . 0 0 "[ . 1 . 2]" 1
104 1 26 ALA MB 1 111 VAL MG2 7.540 . 7.540 4.089 2.378 4.949 . 0 0 "[ . 1 . 2]" 1
105 1 27 ILE H 1 27 ILE HB 3.080 . 3.080 2.568 2.470 2.705 . 0 0 "[ . 1 . 2]" 1
106 1 27 ILE H 1 27 ILE HG12 4.690 . 4.690 3.662 2.796 4.174 . 0 0 "[ . 1 . 2]" 1
107 1 27 ILE H 1 27 ILE QG 4.270 . 4.270 2.508 2.127 3.073 . 0 0 "[ . 1 . 2]" 1
108 1 27 ILE H 1 27 ILE HG13 4.690 . 4.690 2.617 2.149 4.120 . 0 0 "[ . 1 . 2]" 1
109 1 27 ILE H 1 28 THR H 5.190 . 5.190 4.065 3.809 4.397 . 0 0 "[ . 1 . 2]" 1
110 1 27 ILE H 1 31 GLU QG 6.380 . 6.380 5.269 4.606 6.413 0.033 15 0 "[ . 1 . 2]" 1
111 1 27 ILE H 1 111 VAL MG1 6.520 . 6.520 3.608 2.783 5.555 . 0 0 "[ . 1 . 2]" 1
112 1 27 ILE H 1 111 VAL MG2 6.520 . 6.520 5.999 4.166 6.600 0.080 2 0 "[ . 1 . 2]" 1
113 1 27 ILE H 1 112 MET HA 5.000 . 5.000 3.931 2.926 5.018 0.018 17 0 "[ . 1 . 2]" 1
114 1 27 ILE HA 1 28 THR H 3.170 . 3.170 2.173 2.097 2.291 . 0 0 "[ . 1 . 2]" 1
115 1 27 ILE HA 1 31 GLU QG 6.380 . 6.380 2.817 2.118 4.094 . 0 0 "[ . 1 . 2]" 1
116 1 27 ILE HB 1 28 THR H 4.380 . 4.380 4.405 4.169 4.455 0.075 15 0 "[ . 1 . 2]" 1
117 1 27 ILE MD 1 31 GLU HB2 6.520 . 6.520 4.738 3.392 5.261 . 0 0 "[ . 1 . 2]" 1
118 1 27 ILE MD 1 31 GLU HB3 6.520 . 6.520 4.582 2.536 5.170 . 0 0 "[ . 1 . 2]" 1
119 1 27 ILE MD 1 31 GLU QG 7.400 . 7.400 5.215 2.917 5.955 . 0 0 "[ . 1 . 2]" 1
120 1 27 ILE MD 1 90 ILE H 6.520 . 6.520 4.862 3.589 6.526 0.006 11 0 "[ . 1 . 2]" 1
121 1 27 ILE MD 1 90 ILE HA 6.520 . 6.520 3.130 1.889 4.840 . 0 0 "[ . 1 . 2]" 1
122 1 27 ILE MD 1 90 ILE QG 7.400 . 7.400 2.947 1.570 4.868 . 0 0 "[ . 1 . 2]" 1
123 1 27 ILE MD 1 112 MET ME 7.540 . 7.540 2.945 1.942 4.043 . 0 0 "[ . 1 . 2]" 1
124 1 27 ILE QG 1 31 GLU QG 6.320 . 6.320 4.200 3.113 5.062 . 0 0 "[ . 1 . 2]" 1
125 1 27 ILE HG12 1 28 THR H 5.500 . 5.500 4.660 4.242 5.068 . 0 0 "[ . 1 . 2]" 1
126 1 27 ILE HG12 1 31 GLU HB2 5.500 . 5.500 4.220 3.860 5.543 0.043 5 0 "[ . 1 . 2]" 1
127 1 27 ILE HG12 1 31 GLU HB3 5.500 . 5.500 3.971 3.509 5.150 . 0 0 "[ . 1 . 2]" 1
128 1 27 ILE HG12 1 31 GLU HG2 7.260 . 7.260 5.746 3.234 6.962 . 0 0 "[ . 1 . 2]" 1
129 1 27 ILE HG12 1 31 GLU HG3 7.260 . 7.260 4.716 4.005 6.030 . 0 0 "[ . 1 . 2]" 1
130 1 27 ILE HG13 1 28 THR H 5.500 . 5.500 5.095 4.942 5.577 0.077 5 0 "[ . 1 . 2]" 1
131 1 27 ILE HG13 1 31 GLU HB2 5.500 . 5.500 5.326 5.096 5.519 0.019 5 0 "[ . 1 . 2]" 1
132 1 27 ILE HG13 1 31 GLU HB3 5.500 . 5.500 5.416 4.854 5.550 0.050 6 0 "[ . 1 . 2]" 1
133 1 27 ILE HG13 1 31 GLU HG2 7.260 . 7.260 6.795 4.505 7.288 0.028 4 0 "[ . 1 . 2]" 1
134 1 27 ILE HG13 1 31 GLU HG3 7.260 . 7.260 5.753 5.064 7.203 . 0 0 "[ . 1 . 2]" 1
135 1 27 ILE MG 1 28 THR H 6.520 . 6.520 3.301 2.598 3.607 . 0 0 "[ . 1 . 2]" 1
136 1 27 ILE MG 1 29 VAL HA 6.520 . 6.520 4.507 4.097 5.054 . 0 0 "[ . 1 . 2]" 1
137 1 27 ILE MG 1 31 GLU H 6.520 . 6.520 4.194 3.868 4.465 . 0 0 "[ . 1 . 2]" 1
138 1 27 ILE MG 1 31 GLU HB2 6.430 . 6.430 2.300 1.808 2.817 . 0 0 "[ . 1 . 2]" 1
139 1 27 ILE MG 1 31 GLU QB 6.260 . 6.260 2.148 1.767 2.570 . 0 0 "[ . 1 . 2]" 1
140 1 27 ILE MG 1 31 GLU HB3 6.430 . 6.430 2.655 2.320 3.184 . 0 0 "[ . 1 . 2]" 1
141 1 27 ILE MG 1 31 GLU HG2 6.520 . 6.520 4.287 3.062 4.881 . 0 0 "[ . 1 . 2]" 1
142 1 27 ILE MG 1 31 GLU HG3 6.520 . 6.520 3.900 3.291 4.485 . 0 0 "[ . 1 . 2]" 1
143 1 27 ILE MG 1 32 ARG H 5.560 . 5.560 3.064 2.744 3.526 . 0 0 "[ . 1 . 2]" 1
144 1 27 ILE MG 1 32 ARG HB2 6.520 . 6.520 2.868 2.194 4.378 . 0 0 "[ . 1 . 2]" 1
145 1 27 ILE MG 1 90 ILE HA 6.520 . 6.520 4.883 3.645 6.216 . 0 0 "[ . 1 . 2]" 1
146 1 27 ILE MG 1 112 MET ME 7.540 . 7.540 4.673 3.782 5.244 . 0 0 "[ . 1 . 2]" 1
147 1 28 THR H 1 28 THR MG 4.500 . 4.500 3.604 2.361 3.828 . 0 0 "[ . 1 . 2]" 1
148 1 28 THR H 1 29 VAL H 4.790 . 4.790 4.576 4.399 4.679 . 0 0 "[ . 1 . 2]" 1
149 1 28 THR H 1 31 GLU H 4.820 . 4.820 3.539 2.913 3.889 . 0 0 "[ . 1 . 2]" 1
150 1 28 THR H 1 31 GLU HB2 4.450 . 4.450 2.493 1.905 2.972 . 0 0 "[ . 1 . 2]" 1
151 1 28 THR H 1 31 GLU QB 4.280 . 4.280 2.461 1.893 2.930 . 0 0 "[ . 1 . 2]" 1
152 1 28 THR H 1 31 GLU HB3 4.450 . 4.450 3.832 3.253 4.446 . 0 0 "[ . 1 . 2]" 1
153 1 28 THR H 1 31 GLU HG2 5.500 . 5.500 2.974 2.191 4.323 . 0 0 "[ . 1 . 2]" 1
154 1 28 THR H 1 31 GLU QG 4.890 . 4.890 2.450 1.879 3.498 . 0 0 "[ . 1 . 2]" 1
155 1 28 THR H 1 31 GLU HG3 5.500 . 5.500 2.690 2.009 4.385 . 0 0 "[ . 1 . 2]" 1
156 1 28 THR HA 1 31 GLU H 5.500 . 5.500 4.593 4.267 5.030 . 0 0 "[ . 1 . 2]" 1
157 1 28 THR HB 1 30 GLU QB 6.380 . 6.380 3.006 2.167 5.164 . 0 0 "[ . 1 . 2]" 1
158 1 28 THR HB 1 31 GLU H 5.500 . 5.500 2.712 1.997 4.425 . 0 0 "[ . 1 . 2]" 1
159 1 28 THR HB 1 31 GLU HB2 5.500 . 5.500 3.860 2.924 4.395 . 0 0 "[ . 1 . 2]" 1
160 1 28 THR HB 1 31 GLU HB3 5.500 . 5.500 5.272 4.583 5.623 0.123 1 0 "[ . 1 . 2]" 1
161 1 28 THR HB 1 31 GLU HG2 5.500 . 5.500 3.201 1.979 5.174 . 0 0 "[ . 1 . 2]" 1
162 1 28 THR HB 1 31 GLU HG3 5.500 . 5.500 4.002 2.321 5.534 0.034 7 0 "[ . 1 . 2]" 1
163 1 28 THR MG 1 29 VAL H 5.430 . 5.430 1.957 1.586 2.698 . 0 0 "[ . 1 . 2]" 1
164 1 28 THR MG 1 30 GLU H 6.520 . 6.520 2.736 1.890 3.676 . 0 0 "[ . 1 . 2]" 1
165 1 28 THR MG 1 31 GLU H 6.520 . 6.520 3.914 1.956 4.616 . 0 0 "[ . 1 . 2]" 1
166 1 28 THR MG 1 31 GLU QG 7.400 . 7.400 4.099 1.491 5.645 . 0 0 "[ . 1 . 2]" 1
167 1 29 VAL H 1 29 VAL HB 2.990 . 2.990 2.565 2.418 2.708 . 0 0 "[ . 1 . 2]" 1
168 1 29 VAL H 1 30 GLU H 3.550 . 3.550 2.760 2.510 2.951 . 0 0 "[ . 1 . 2]" 1
169 1 29 VAL H 1 31 GLU H 5.500 . 5.500 4.308 3.869 4.630 . 0 0 "[ . 1 . 2]" 1
170 1 29 VAL H 1 32 ARG HB3 5.040 . 5.040 5.104 4.905 5.218 0.178 2 0 "[ . 1 . 2]" 1
171 1 29 VAL HA 1 32 ARG H 4.320 . 4.320 3.297 3.057 3.617 . 0 0 "[ . 1 . 2]" 1
172 1 29 VAL HA 1 32 ARG HB2 4.110 . 4.110 3.192 2.442 4.246 0.136 5 0 "[ . 1 . 2]" 1
173 1 29 VAL HA 1 32 ARG HB3 4.600 . 4.600 2.619 2.353 3.260 . 0 0 "[ . 1 . 2]" 1
174 1 29 VAL HA 1 33 ALA H 4.600 . 4.600 3.981 3.680 4.295 . 0 0 "[ . 1 . 2]" 1
175 1 29 VAL HB 1 30 GLU H 3.860 . 3.860 3.173 2.360 3.959 0.099 13 0 "[ . 1 . 2]" 1
176 1 29 VAL QG 1 30 GLU H 8.070 . 8.070 2.810 1.919 3.426 . 0 0 "[ . 1 . 2]" 1
177 1 29 VAL QG 1 30 GLU HA 8.070 . 8.070 3.394 3.030 3.821 . 0 0 "[ . 1 . 2]" 1
178 1 29 VAL QG 1 30 GLU QG 8.950 . 8.950 4.065 2.152 5.540 . 0 0 "[ . 1 . 2]" 1
179 1 29 VAL QG 1 33 ALA MB 8.780 . 8.780 3.220 2.778 3.803 . 0 0 "[ . 1 . 2]" 1
180 1 30 GLU H 1 30 GLU HB2 3.390 . 3.390 2.473 2.124 2.637 . 0 0 "[ . 1 . 2]" 1
181 1 30 GLU H 1 30 GLU QB 3.160 . 3.160 2.311 2.105 2.491 . 0 0 "[ . 1 . 2]" 1
182 1 30 GLU H 1 30 GLU HB3 3.390 . 3.390 3.025 2.427 3.562 0.172 1 0 "[ . 1 . 2]" 1
183 1 30 GLU H 1 30 GLU HG2 5.500 . 5.500 3.950 3.037 4.548 . 0 0 "[ . 1 . 2]" 1
184 1 30 GLU H 1 30 GLU HG3 5.500 . 5.500 3.552 1.941 4.505 . 0 0 "[ . 1 . 2]" 1
185 1 30 GLU H 1 31 GLU H 3.420 . 3.420 2.719 2.494 2.928 . 0 0 "[ . 1 . 2]" 1
186 1 30 GLU H 1 33 ALA MB 6.520 . 6.520 4.793 4.641 5.066 . 0 0 "[ . 1 . 2]" 1
187 1 30 GLU HA 1 33 ALA H 4.510 . 4.510 3.464 3.302 3.622 . 0 0 "[ . 1 . 2]" 1
188 1 30 GLU HA 1 33 ALA HA 5.500 . 5.500 5.536 5.212 5.669 0.169 7 0 "[ . 1 . 2]" 1
189 1 30 GLU HA 1 33 ALA MB 4.570 . 4.570 2.785 2.473 2.898 . 0 0 "[ . 1 . 2]" 1
190 1 30 GLU HB2 1 31 GLU H 3.830 . 3.830 3.189 2.417 3.846 0.016 5 0 "[ . 1 . 2]" 1
191 1 30 GLU HB3 1 31 GLU H 3.830 . 3.830 2.974 2.162 3.740 . 0 0 "[ . 1 . 2]" 1
192 1 30 GLU QG 1 31 GLU H 5.080 . 5.080 3.799 3.058 4.626 . 0 0 "[ . 1 . 2]" 1
193 1 30 GLU HG2 1 31 GLU H 5.500 . 5.500 4.301 3.233 5.297 . 0 0 "[ . 1 . 2]" 1
194 1 30 GLU HG2 1 33 ALA MB 6.520 . 6.520 4.891 4.114 5.926 . 0 0 "[ . 1 . 2]" 1
195 1 30 GLU HG3 1 31 GLU H 5.500 . 5.500 4.480 3.213 5.100 . 0 0 "[ . 1 . 2]" 1
196 1 30 GLU HG3 1 33 ALA MB 6.520 . 6.520 4.702 4.019 5.890 . 0 0 "[ . 1 . 2]" 1
197 1 31 GLU H 1 31 GLU HG2 5.500 . 5.500 2.409 1.850 3.865 . 0 0 "[ . 1 . 2]" 1
198 1 31 GLU H 1 31 GLU QG 4.740 . 4.740 2.254 1.843 3.329 . 0 0 "[ . 1 . 2]" 1
199 1 31 GLU H 1 31 GLU HG3 5.500 . 5.500 3.486 2.190 3.840 . 0 0 "[ . 1 . 2]" 1
200 1 31 GLU H 1 32 ARG H 3.980 . 3.980 2.606 2.434 2.771 . 0 0 "[ . 1 . 2]" 1
201 1 31 GLU H 1 33 ALA H 5.500 . 5.500 4.173 3.858 4.341 . 0 0 "[ . 1 . 2]" 1
202 1 31 GLU HA 1 34 LYS H 4.630 . 4.630 3.308 3.045 3.764 . 0 0 "[ . 1 . 2]" 1
203 1 31 GLU HA 1 34 LYS QB 4.920 . 4.920 2.356 1.867 3.119 . 0 0 "[ . 1 . 2]" 1
204 1 31 GLU HB2 1 32 ARG H 5.500 . 5.500 2.691 2.330 2.858 . 0 0 "[ . 1 . 2]" 1
205 1 31 GLU HB2 1 34 LYS H 5.500 . 5.500 5.352 5.086 5.605 0.105 16 0 "[ . 1 . 2]" 1
206 1 31 GLU HB2 1 112 MET ME 6.520 . 6.520 6.262 4.946 6.632 0.112 14 0 "[ . 1 . 2]" 1
207 1 31 GLU HB3 1 32 ARG H 5.500 . 5.500 3.719 3.294 3.886 . 0 0 "[ . 1 . 2]" 1
208 1 31 GLU HB3 1 34 LYS H 5.500 . 5.500 5.178 4.754 5.518 0.018 16 0 "[ . 1 . 2]" 1
209 1 31 GLU HB3 1 112 MET ME 6.520 . 6.520 5.543 4.060 6.080 . 0 0 "[ . 1 . 2]" 1
210 1 31 GLU QG 1 32 ARG H 4.950 . 4.950 4.032 3.595 4.455 . 0 0 "[ . 1 . 2]" 1
211 1 31 GLU HG2 1 32 ARG H 5.500 . 5.500 4.342 3.772 5.198 . 0 0 "[ . 1 . 2]" 1
212 1 31 GLU HG3 1 32 ARG H 5.500 . 5.500 4.880 4.280 5.148 . 0 0 "[ . 1 . 2]" 1
213 1 32 ARG H 1 33 ALA H 3.390 . 3.390 2.660 2.558 2.745 . 0 0 "[ . 1 . 2]" 1
214 1 32 ARG H 1 34 LYS H 5.130 . 5.130 3.874 3.655 4.126 . 0 0 "[ . 1 . 2]" 1
215 1 32 ARG HB2 1 33 ALA H 3.700 . 3.700 3.778 3.702 3.932 0.232 2 0 "[ . 1 . 2]" 1
216 1 32 ARG HB3 1 33 ALA H 3.950 . 3.950 2.722 2.344 3.920 . 0 0 "[ . 1 . 2]" 1
217 1 33 ALA H 1 34 LYS H 3.450 . 3.450 2.534 2.333 2.736 . 0 0 "[ . 1 . 2]" 1
218 1 33 ALA HA 1 36 ASP H 4.040 . 4.040 3.718 3.289 4.030 . 0 0 "[ . 1 . 2]" 1
219 1 33 ALA HA 1 36 ASP HB2 4.320 . 4.320 3.832 2.345 4.376 0.056 11 0 "[ . 1 . 2]" 1
220 1 33 ALA HA 1 36 ASP QB 4.040 . 4.040 3.390 2.253 3.887 . 0 0 "[ . 1 . 2]" 1
221 1 33 ALA HA 1 36 ASP HB3 4.320 . 4.320 3.970 2.403 4.437 0.117 7 0 "[ . 1 . 2]" 1
222 1 33 ALA MB 1 36 ASP H 6.520 . 6.520 4.595 4.439 4.832 . 0 0 "[ . 1 . 2]" 1
223 1 33 ALA MB 1 36 ASP HB2 6.520 . 6.520 4.746 3.489 5.314 . 0 0 "[ . 1 . 2]" 1
224 1 33 ALA MB 1 36 ASP HB3 6.520 . 6.520 4.393 3.740 5.512 . 0 0 "[ . 1 . 2]" 1
225 1 33 ALA MB 1 37 GLN H 6.520 . 6.520 4.890 4.265 5.271 . 0 0 "[ . 1 . 2]" 1
226 1 34 LYS H 1 34 LYS HB2 3.640 . 3.640 2.398 2.041 3.583 . 0 0 "[ . 1 . 2]" 1
227 1 34 LYS H 1 34 LYS QB 3.380 . 3.380 2.186 2.022 2.345 . 0 0 "[ . 1 . 2]" 1
228 1 34 LYS H 1 34 LYS HB3 3.640 . 3.640 2.935 2.328 3.585 . 0 0 "[ . 1 . 2]" 1
229 1 34 LYS H 1 34 LYS HD2 5.500 . 5.500 4.759 3.654 5.750 0.250 17 0 "[ . 1 . 2]" 1
230 1 34 LYS H 1 34 LYS HD3 5.500 . 5.500 4.440 3.653 5.062 . 0 0 "[ . 1 . 2]" 1
231 1 34 LYS H 1 34 LYS HG2 5.500 . 5.500 3.684 2.460 4.577 . 0 0 "[ . 1 . 2]" 1
232 1 34 LYS H 1 34 LYS HG3 5.500 . 5.500 4.226 3.798 4.601 . 0 0 "[ . 1 . 2]" 1
233 1 34 LYS H 1 35 HIS H 3.390 . 3.390 2.742 2.512 2.857 . 0 0 "[ . 1 . 2]" 1
234 1 34 LYS HA 1 34 LYS HD2 5.500 . 5.500 3.445 2.091 4.849 . 0 0 "[ . 1 . 2]" 1
235 1 34 LYS HA 1 34 LYS HD3 5.500 . 5.500 3.116 1.676 5.524 0.024 4 0 "[ . 1 . 2]" 1
236 1 34 LYS HA 1 34 LYS HE2 5.500 . 5.500 4.780 4.067 5.385 . 0 0 "[ . 1 . 2]" 1
237 1 34 LYS HA 1 34 LYS HE3 5.500 . 5.500 4.758 3.918 5.578 0.078 2 0 "[ . 1 . 2]" 1
238 1 34 LYS QB 1 35 HIS H 3.980 . 3.980 2.796 2.274 3.654 . 0 0 "[ . 1 . 2]" 1
239 1 34 LYS HB2 1 35 HIS H 4.200 . 4.200 3.562 2.634 4.179 . 0 0 "[ . 1 . 2]" 1
240 1 34 LYS HB3 1 35 HIS H 4.200 . 4.200 3.082 2.297 4.033 . 0 0 "[ . 1 . 2]" 1
241 1 34 LYS HD2 1 35 HIS H 5.500 . 5.500 5.098 3.901 5.681 0.181 17 0 "[ . 1 . 2]" 1
242 1 34 LYS HD3 1 35 HIS H 5.500 . 5.500 4.951 3.063 5.646 0.146 13 0 "[ . 1 . 2]" 1
243 1 34 LYS HE2 1 38 GLN HE21 5.500 . 5.500 4.585 2.727 5.543 0.043 2 0 "[ . 1 . 2]" 1
244 1 34 LYS HE2 1 38 GLN HE22 5.500 . 5.500 4.555 2.191 5.551 0.051 17 0 "[ . 1 . 2]" 1
245 1 34 LYS HE3 1 38 GLN HE21 5.500 . 5.500 4.530 3.082 5.602 0.102 6 0 "[ . 1 . 2]" 1
246 1 34 LYS HE3 1 38 GLN HE22 5.500 . 5.500 4.313 2.902 5.520 0.020 20 0 "[ . 1 . 2]" 1
247 1 34 LYS HG2 1 35 HIS H 5.500 . 5.500 4.499 2.528 5.161 . 0 0 "[ . 1 . 2]" 1
248 1 34 LYS HG3 1 35 HIS H 5.500 . 5.500 4.768 3.076 5.485 . 0 0 "[ . 1 . 2]" 1
249 1 35 HIS H 1 36 ASP H 3.700 . 3.700 2.648 2.420 2.809 . 0 0 "[ . 1 . 2]" 1
250 1 35 HIS HB2 1 36 ASP H 3.950 . 3.950 3.912 2.486 4.114 0.164 9 0 "[ . 1 . 2]" 1
251 1 35 HIS HB3 1 36 ASP H 3.950 . 3.950 3.797 2.374 4.107 0.157 2 0 "[ . 1 . 2]" 1
252 1 36 ASP H 1 36 ASP HB2 3.700 . 3.700 2.522 2.101 2.666 . 0 0 "[ . 1 . 2]" 1
253 1 36 ASP H 1 36 ASP QB 3.470 . 3.470 2.258 2.082 2.421 . 0 0 "[ . 1 . 2]" 1
254 1 36 ASP H 1 36 ASP HB3 3.700 . 3.700 2.673 2.423 3.611 . 0 0 "[ . 1 . 2]" 1
255 1 36 ASP H 1 37 GLN H 3.550 . 3.550 2.673 2.540 2.814 . 0 0 "[ . 1 . 2]" 1
256 1 36 ASP HA 1 39 PHE H 4.820 . 4.820 3.668 3.262 4.422 . 0 0 "[ . 1 . 2]" 1
257 1 36 ASP HA 1 40 HIS H 4.660 . 4.660 4.076 3.663 4.421 . 0 0 "[ . 1 . 2]" 1
258 1 36 ASP QB 1 37 GLN H 3.720 . 3.720 2.458 2.271 2.618 . 0 0 "[ . 1 . 2]" 1
259 1 36 ASP HB2 1 37 GLN H 4.170 . 4.170 3.636 2.619 3.894 . 0 0 "[ . 1 . 2]" 1
260 1 36 ASP HB3 1 37 GLN H 4.170 . 4.170 2.591 2.292 3.598 . 0 0 "[ . 1 . 2]" 1
261 1 37 GLN H 1 37 GLN HB2 3.610 . 3.610 2.526 2.129 3.589 . 0 0 "[ . 1 . 2]" 1
262 1 37 GLN H 1 37 GLN HB3 3.610 . 3.610 2.853 2.475 3.596 . 0 0 "[ . 1 . 2]" 1
263 1 37 GLN H 1 37 GLN HG2 5.410 . 5.410 3.938 1.943 4.591 . 0 0 "[ . 1 . 2]" 1
264 1 37 GLN H 1 37 GLN QG 4.790 . 4.790 3.406 1.909 4.034 . 0 0 "[ . 1 . 2]" 1
265 1 37 GLN H 1 37 GLN HG3 5.410 . 5.410 3.946 2.159 4.599 . 0 0 "[ . 1 . 2]" 1
266 1 37 GLN H 1 38 GLN H 3.210 . 3.210 2.685 2.510 2.770 . 0 0 "[ . 1 . 2]" 1
267 1 37 GLN H 1 39 PHE H 5.070 . 5.070 4.116 3.950 4.371 . 0 0 "[ . 1 . 2]" 1
268 1 37 GLN HA 1 40 HIS H 4.140 . 4.140 3.639 3.024 3.992 . 0 0 "[ . 1 . 2]" 1
269 1 37 GLN HA 1 40 HIS HB2 4.010 . 4.010 3.268 2.520 3.998 . 0 0 "[ . 1 . 2]" 1
270 1 37 GLN HA 1 40 HIS HB3 4.010 . 4.010 3.253 2.448 4.089 0.079 18 0 "[ . 1 . 2]" 1
271 1 37 GLN QB 1 38 GLN H 4.270 . 4.270 2.563 2.351 3.356 . 0 0 "[ . 1 . 2]" 1
272 1 37 GLN HB2 1 38 GLN H 4.450 . 4.450 3.465 2.497 3.941 . 0 0 "[ . 1 . 2]" 1
273 1 37 GLN HB3 1 38 GLN H 4.450 . 4.450 2.908 2.383 4.060 . 0 0 "[ . 1 . 2]" 1
274 1 37 GLN HG2 1 38 GLN H 5.500 . 5.500 4.157 3.028 5.204 . 0 0 "[ . 1 . 2]" 1
275 1 37 GLN HG3 1 38 GLN H 5.500 . 5.500 4.535 2.059 5.105 . 0 0 "[ . 1 . 2]" 1
276 1 38 GLN H 1 38 GLN HB2 3.270 . 3.270 2.384 2.118 2.607 . 0 0 "[ . 1 . 2]" 1
277 1 38 GLN H 1 38 GLN HB3 3.890 . 3.890 3.486 2.655 3.630 . 0 0 "[ . 1 . 2]" 1
278 1 38 GLN H 1 38 GLN HG2 5.280 . 5.280 3.256 2.138 4.615 . 0 0 "[ . 1 . 2]" 1
279 1 38 GLN H 1 38 GLN QG 5.100 . 5.100 2.835 2.123 4.047 . 0 0 "[ . 1 . 2]" 1
280 1 38 GLN H 1 38 GLN HG3 5.280 . 5.280 3.617 2.250 4.478 . 0 0 "[ . 1 . 2]" 1
281 1 38 GLN H 1 39 PHE H 3.760 . 3.760 2.583 2.422 2.825 . 0 0 "[ . 1 . 2]" 1
282 1 38 GLN HA 1 40 HIS H 4.350 . 4.350 4.281 3.958 4.401 0.051 17 0 "[ . 1 . 2]" 1
283 1 38 GLN HB2 1 39 PHE H 5.250 . 5.250 2.809 2.343 3.625 . 0 0 "[ . 1 . 2]" 1
284 1 38 GLN HB3 1 38 GLN HE22 5.000 . 5.000 4.591 3.792 5.115 0.115 6 0 "[ . 1 . 2]" 1
285 1 39 PHE H 1 40 HIS H 3.790 . 3.790 2.626 2.484 2.748 . 0 0 "[ . 1 . 2]" 1
286 1 39 PHE HA 1 41 SER H 5.500 . 5.500 4.201 3.891 4.429 . 0 0 "[ . 1 . 2]" 1
287 1 39 PHE HA 1 42 LEU H 5.500 . 5.500 3.390 3.186 3.714 . 0 0 "[ . 1 . 2]" 1
288 1 39 PHE HA 1 42 LEU MD1 6.520 . 6.520 3.176 1.522 4.746 . 0 0 "[ . 1 . 2]" 1
289 1 39 PHE HA 1 42 LEU MD2 6.120 . 6.120 4.155 1.761 5.243 . 0 0 "[ . 1 . 2]" 1
290 1 39 PHE QB 1 40 HIS H 3.760 . 3.760 2.593 2.335 2.729 . 0 0 "[ . 1 . 2]" 1
291 1 39 PHE QB 1 41 SER H 6.380 . 6.380 4.667 4.496 4.772 . 0 0 "[ . 1 . 2]" 1
292 1 39 PHE HB2 1 40 HIS H 3.980 . 3.980 3.756 3.501 4.030 0.050 18 0 "[ . 1 . 2]" 1
293 1 39 PHE HB3 1 40 HIS H 3.980 . 3.980 2.646 2.361 2.779 . 0 0 "[ . 1 . 2]" 1
294 1 39 PHE HD1 1 40 HIS H 5.500 . 5.500 4.710 3.916 5.327 . 0 0 "[ . 1 . 2]" 1
295 1 39 PHE HE1 1 42 LEU MD1 6.520 . 6.520 4.635 3.068 6.553 0.033 4 0 "[ . 1 . 2]" 1
296 1 39 PHE HE1 1 44 PRO HB2 5.500 . 5.500 4.028 2.384 5.529 0.029 13 0 "[ . 1 . 2]" 1
297 1 39 PHE HE1 1 44 PRO HB3 5.000 . 5.000 2.621 1.672 3.879 . 0 0 "[ . 1 . 2]" 1
298 1 39 PHE HE1 1 44 PRO HG2 5.500 . 5.500 5.081 4.113 5.559 0.059 10 0 "[ . 1 . 2]" 1
299 1 39 PHE HE1 1 44 PRO HG3 5.500 . 5.500 3.880 3.015 4.625 . 0 0 "[ . 1 . 2]" 1
300 1 39 PHE HE1 1 49 ILE H 5.500 . 5.500 3.946 2.700 5.127 . 0 0 "[ . 1 . 2]" 1
301 1 39 PHE HE1 1 49 ILE MD 6.520 . 6.520 3.208 1.564 5.869 . 0 0 "[ . 1 . 2]" 1
302 1 39 PHE HE1 1 49 ILE HG12 5.500 . 5.500 3.948 1.799 5.567 0.067 12 0 "[ . 1 . 2]" 1
303 1 39 PHE HE1 1 49 ILE HG13 5.500 . 5.500 4.389 2.592 5.549 0.049 7 0 "[ . 1 . 2]" 1
304 1 39 PHE HE1 1 49 ILE MG 6.520 . 6.520 2.058 1.353 3.254 . 0 0 "[ . 1 . 2]" 1
305 1 39 PHE HZ 1 44 PRO HB2 5.500 . 5.500 4.375 3.197 5.528 0.028 2 0 "[ . 1 . 2]" 1
306 1 39 PHE HZ 1 44 PRO HB3 5.500 . 5.500 3.393 2.373 4.514 . 0 0 "[ . 1 . 2]" 1
307 1 39 PHE HZ 1 48 PHE HA 5.500 . 5.500 2.611 1.536 4.621 . 0 0 "[ . 1 . 2]" 1
308 1 39 PHE HZ 1 49 ILE H 5.500 . 5.500 3.662 1.543 5.017 . 0 0 "[ . 1 . 2]" 1
309 1 39 PHE HZ 1 49 ILE MD 6.520 . 6.520 3.708 1.550 5.565 . 0 0 "[ . 1 . 2]" 1
310 1 39 PHE HZ 1 49 ILE MG 6.520 . 6.520 3.068 2.381 3.617 . 0 0 "[ . 1 . 2]" 1
311 1 39 PHE HZ 1 85 GLN H 5.500 . 5.500 5.483 4.922 5.705 0.205 14 0 "[ . 1 . 2]" 1
312 1 40 HIS H 1 40 HIS HD2 5.500 . 5.500 5.104 3.930 5.465 . 0 0 "[ . 1 . 2]" 1
313 1 40 HIS H 1 41 SER H 3.480 . 3.480 2.650 2.497 2.774 . 0 0 "[ . 1 . 2]" 1
314 1 40 HIS HA 1 42 LEU H 4.010 . 4.010 3.991 3.880 4.072 0.062 14 0 "[ . 1 . 2]" 1
315 1 40 HIS HA 1 43 LYS H 4.660 . 4.660 4.124 3.701 4.546 . 0 0 "[ . 1 . 2]" 1
316 1 40 HIS HA 1 44 PRO QD 5.310 . 5.310 2.850 2.506 3.315 . 0 0 "[ . 1 . 2]" 1
317 1 40 HIS HA 1 44 PRO HG2 5.500 . 5.500 3.924 3.186 4.349 . 0 0 "[ . 1 . 2]" 1
318 1 40 HIS HA 1 44 PRO QG 5.120 . 5.120 3.048 2.461 3.538 . 0 0 "[ . 1 . 2]" 1
319 1 40 HIS HA 1 44 PRO HG3 5.500 . 5.500 3.254 2.490 3.971 . 0 0 "[ . 1 . 2]" 1
320 1 40 HIS HB2 1 41 SER H 5.500 . 5.500 3.717 2.911 4.071 . 0 0 "[ . 1 . 2]" 1
321 1 40 HIS HB3 1 41 SER H 5.500 . 5.500 2.774 2.529 3.669 . 0 0 "[ . 1 . 2]" 1
322 1 40 HIS HD2 1 41 SER H 5.500 . 5.500 4.758 3.691 5.528 0.028 14 0 "[ . 1 . 2]" 1
323 1 41 SER H 1 41 SER HB2 3.480 . 3.480 2.517 2.366 2.596 . 0 0 "[ . 1 . 2]" 1
324 1 41 SER H 1 41 SER QB 3.190 . 3.190 2.396 2.244 2.519 . 0 0 "[ . 1 . 2]" 1
325 1 41 SER H 1 41 SER HB3 3.480 . 3.480 3.257 2.455 3.582 0.102 13 0 "[ . 1 . 2]" 1
326 1 41 SER H 1 42 LEU H 3.480 . 3.480 2.509 2.421 2.614 . 0 0 "[ . 1 . 2]" 1
327 1 41 SER H 1 43 LYS H 4.570 . 4.570 4.191 3.987 4.411 . 0 0 "[ . 1 . 2]" 1
328 1 41 SER HA 1 43 LYS H 4.380 . 4.380 3.492 3.352 3.642 . 0 0 "[ . 1 . 2]" 1
329 1 41 SER HA 1 44 PRO HD2 5.500 . 5.500 5.544 5.245 5.649 0.149 3 0 "[ . 1 . 2]" 1
330 1 41 SER HA 1 44 PRO HD3 5.500 . 5.500 5.304 4.825 5.585 0.085 15 0 "[ . 1 . 2]" 1
331 1 41 SER QB 1 42 LEU H 4.090 . 4.090 3.083 2.981 3.145 . 0 0 "[ . 1 . 2]" 1
332 1 41 SER HB2 1 42 LEU H 4.450 . 4.450 3.475 3.062 4.202 . 0 0 "[ . 1 . 2]" 1
333 1 41 SER HB3 1 42 LEU H 4.450 . 4.450 3.844 3.108 4.199 . 0 0 "[ . 1 . 2]" 1
334 1 42 LEU H 1 42 LEU HB2 3.520 . 3.520 2.277 2.043 2.602 . 0 0 "[ . 1 . 2]" 1
335 1 42 LEU H 1 42 LEU HB3 3.580 . 3.580 3.234 2.381 3.628 0.048 16 0 "[ . 1 . 2]" 1
336 1 42 LEU H 1 42 LEU MD1 5.280 . 5.280 3.966 3.572 4.251 . 0 0 "[ . 1 . 2]" 1
337 1 42 LEU H 1 42 LEU HG 4.690 . 4.690 3.540 2.279 4.410 . 0 0 "[ . 1 . 2]" 1
338 1 42 LEU H 1 43 LYS H 3.210 . 3.210 2.527 2.426 2.667 . 0 0 "[ . 1 . 2]" 1
339 1 42 LEU H 1 44 PRO QD 6.270 . 6.270 3.373 3.167 3.747 . 0 0 "[ . 1 . 2]" 1
340 1 42 LEU H 1 49 ILE MG 6.520 . 6.520 5.100 4.386 5.852 . 0 0 "[ . 1 . 2]" 1
341 1 42 LEU HA 1 42 LEU MD1 4.470 . 4.470 3.360 1.963 3.857 . 0 0 "[ . 1 . 2]" 1
342 1 42 LEU HB2 1 43 LYS H 4.450 . 4.450 3.665 3.291 4.254 . 0 0 "[ . 1 . 2]" 1
343 1 42 LEU HB2 1 49 ILE MG 6.520 . 6.520 3.525 2.462 4.484 . 0 0 "[ . 1 . 2]" 1
344 1 42 LEU HB3 1 43 LYS H 4.350 . 4.350 3.740 3.142 4.235 . 0 0 "[ . 1 . 2]" 1
345 1 42 LEU HB3 1 49 ILE MG 6.520 . 6.520 2.887 1.969 3.760 . 0 0 "[ . 1 . 2]" 1
346 1 42 LEU MD1 1 43 LYS H 6.520 . 6.520 5.035 4.384 5.414 . 0 0 "[ . 1 . 2]" 1
347 1 42 LEU MD1 1 49 ILE HB 5.560 . 5.560 3.883 2.756 5.018 . 0 0 "[ . 1 . 2]" 1
348 1 42 LEU MD1 1 49 ILE MD 7.540 . 7.540 3.225 1.482 4.816 . 0 0 "[ . 1 . 2]" 1
349 1 42 LEU MD1 1 49 ILE HG12 5.650 . 5.650 4.420 3.569 5.381 . 0 0 "[ . 1 . 2]" 1
350 1 42 LEU MD1 1 49 ILE QG 5.350 . 5.350 3.713 2.213 4.862 . 0 0 "[ . 1 . 2]" 1
351 1 42 LEU MD1 1 49 ILE HG13 5.650 . 5.650 4.286 2.229 5.694 0.044 18 0 "[ . 1 . 2]" 1
352 1 42 LEU MD1 1 49 ILE MG 6.760 . 6.760 2.635 1.623 3.468 . 0 0 "[ . 1 . 2]" 1
353 1 42 LEU MD1 1 50 THR H 6.520 . 6.520 5.237 3.894 6.497 . 0 0 "[ . 1 . 2]" 1
354 1 42 LEU MD1 1 53 GLN HB2 6.520 . 6.520 4.233 2.779 5.869 . 0 0 "[ . 1 . 2]" 1
355 1 42 LEU MD1 1 53 GLN HB3 6.520 . 6.520 3.517 1.826 6.019 . 0 0 "[ . 1 . 2]" 1
356 1 42 LEU MD1 1 53 GLN QE 7.380 . 7.380 4.572 2.402 6.441 . 0 0 "[ . 1 . 2]" 1
357 1 42 LEU MD1 1 54 ALA H 5.620 . 5.620 4.625 3.638 5.636 0.016 17 0 "[ . 1 . 2]" 1
358 1 42 LEU MD1 1 54 ALA HA 5.340 . 5.340 3.280 2.219 4.161 . 0 0 "[ . 1 . 2]" 1
359 1 42 LEU MD1 1 54 ALA MB 7.540 . 7.540 4.154 3.155 5.013 . 0 0 "[ . 1 . 2]" 1
360 1 42 LEU MD1 1 57 PHE H 6.520 . 6.520 4.212 3.256 6.060 . 0 0 "[ . 1 . 2]" 1
361 1 42 LEU MD1 1 57 PHE HA 6.520 . 6.520 4.469 3.180 6.668 0.148 1 0 "[ . 1 . 2]" 1
362 1 42 LEU MD1 1 57 PHE HB2 5.220 . 5.220 2.615 1.834 4.714 . 0 0 "[ . 1 . 2]" 1
363 1 42 LEU MD1 1 57 PHE HB3 6.090 . 6.090 3.279 2.252 4.657 . 0 0 "[ . 1 . 2]" 1
364 1 42 LEU MD1 1 57 PHE HD1 6.050 . 6.050 3.595 1.454 5.171 . 0 0 "[ . 1 . 2]" 1
365 1 42 LEU MD1 1 57 PHE QE 6.520 . 6.520 3.948 3.071 5.111 . 0 0 "[ . 1 . 2]" 1
366 1 42 LEU MD2 1 43 LYS H 6.520 . 6.520 4.492 3.997 4.940 . 0 0 "[ . 1 . 2]" 1
367 1 42 LEU MD2 1 54 ALA HA 6.520 . 6.520 4.222 2.493 5.504 . 0 0 "[ . 1 . 2]" 1
368 1 42 LEU MD2 1 54 ALA MB 7.540 . 7.540 5.021 3.462 6.273 . 0 0 "[ . 1 . 2]" 1
369 1 42 LEU MD2 1 57 PHE HB2 6.520 . 6.520 2.822 1.908 5.364 . 0 0 "[ . 1 . 2]" 1
370 1 42 LEU MD2 1 57 PHE HB3 6.520 . 6.520 3.741 2.408 5.025 . 0 0 "[ . 1 . 2]" 1
371 1 42 LEU MD2 1 57 PHE HD1 6.050 . 6.050 3.911 1.588 6.064 0.014 4 0 "[ . 1 . 2]" 1
372 1 42 LEU HG 1 43 LYS H 5.500 . 5.500 5.063 4.314 5.700 0.200 11 0 "[ . 1 . 2]" 1
373 1 43 LYS H 1 43 LYS HA 2.650 . 2.650 2.260 2.233 2.279 . 0 0 "[ . 1 . 2]" 1
374 1 43 LYS H 1 43 LYS HD2 5.500 . 5.500 4.394 2.410 5.561 0.061 3 0 "[ . 1 . 2]" 1
375 1 43 LYS H 1 43 LYS HD3 5.500 . 5.500 4.523 2.501 5.686 0.186 18 0 "[ . 1 . 2]" 1
376 1 43 LYS H 1 43 LYS HG2 5.500 . 5.500 3.976 2.904 4.938 . 0 0 "[ . 1 . 2]" 1
377 1 43 LYS H 1 43 LYS HG3 5.500 . 5.500 3.605 2.760 5.132 . 0 0 "[ . 1 . 2]" 1
378 1 43 LYS H 1 44 PRO HD2 3.790 . 3.790 3.031 2.846 3.253 . 0 0 "[ . 1 . 2]" 1
379 1 43 LYS H 1 44 PRO HD3 3.790 . 3.790 2.511 2.072 2.799 . 0 0 "[ . 1 . 2]" 1
380 1 43 LYS H 1 44 PRO HG2 5.500 . 5.500 5.072 4.731 5.328 . 0 0 "[ . 1 . 2]" 1
381 1 43 LYS H 1 44 PRO HG3 5.500 . 5.500 4.723 4.238 5.029 . 0 0 "[ . 1 . 2]" 1
382 1 43 LYS H 1 49 ILE MG 6.520 . 6.520 5.113 4.513 5.792 . 0 0 "[ . 1 . 2]" 1
383 1 43 LYS HA 1 43 LYS HD2 4.850 . 4.850 3.934 2.183 4.719 . 0 0 "[ . 1 . 2]" 1
384 1 43 LYS HA 1 43 LYS QD 4.570 . 4.570 3.353 1.946 4.129 . 0 0 "[ . 1 . 2]" 1
385 1 43 LYS HA 1 43 LYS HD3 4.850 . 4.850 3.853 1.980 4.859 0.009 7 0 "[ . 1 . 2]" 1
386 1 43 LYS HA 1 44 PRO QD 3.710 . 3.710 2.122 1.870 2.411 . 0 0 "[ . 1 . 2]" 1
387 1 43 LYS HB2 1 43 LYS HE2 5.500 . 5.500 4.401 1.854 5.500 0.000 6 0 "[ . 1 . 2]" 1
388 1 43 LYS HB2 1 43 LYS HE3 5.500 . 5.500 4.213 2.028 4.777 . 0 0 "[ . 1 . 2]" 1
389 1 43 LYS HB3 1 43 LYS HE2 5.500 . 5.500 4.542 3.401 5.454 . 0 0 "[ . 1 . 2]" 1
390 1 43 LYS HB3 1 43 LYS HE3 5.500 . 5.500 4.477 2.920 5.477 . 0 0 "[ . 1 . 2]" 1
391 1 44 PRO HA 1 45 ILE H 2.900 . 2.900 2.189 2.085 2.313 . 0 0 "[ . 1 . 2]" 1
392 1 44 PRO HA 1 45 ILE QG 6.380 . 6.380 4.374 3.367 5.955 . 0 0 "[ . 1 . 2]" 1
393 1 44 PRO HA 1 48 PHE H 4.790 . 4.790 4.309 3.494 4.730 . 0 0 "[ . 1 . 2]" 1
394 1 44 PRO HA 1 49 ILE HA 4.480 . 4.480 3.804 2.967 4.443 . 0 0 "[ . 1 . 2]" 1
395 1 44 PRO HA 1 49 ILE MG 5.000 . 5.000 2.410 1.907 3.054 . 0 0 "[ . 1 . 2]" 1
396 1 44 PRO HB2 1 45 ILE H 3.730 . 3.730 3.360 2.876 3.785 0.055 13 0 "[ . 1 . 2]" 1
397 1 44 PRO HB2 1 47 GLY HA2 5.500 . 5.500 3.074 2.499 3.779 . 0 0 "[ . 1 . 2]" 1
398 1 44 PRO HB2 1 47 GLY QA 5.140 . 5.140 3.027 2.473 3.709 . 0 0 "[ . 1 . 2]" 1
399 1 44 PRO HB2 1 47 GLY HA3 5.500 . 5.500 4.568 3.882 5.389 . 0 0 "[ . 1 . 2]" 1
400 1 44 PRO HB2 1 48 PHE H 4.140 . 4.140 3.345 2.649 4.184 0.044 3 0 "[ . 1 . 2]" 1
401 1 44 PRO HB2 1 49 ILE MG 6.300 . 6.300 4.005 3.410 4.634 . 0 0 "[ . 1 . 2]" 1
402 1 44 PRO HB3 1 45 ILE H 4.110 . 4.110 3.723 3.360 4.063 . 0 0 "[ . 1 . 2]" 1
403 1 44 PRO HB3 1 48 PHE H 4.350 . 4.350 3.898 2.701 4.399 0.049 2 0 "[ . 1 . 2]" 1
404 1 44 PRO HB3 1 49 ILE MD 6.520 . 6.520 5.043 3.932 6.196 . 0 0 "[ . 1 . 2]" 1
405 1 44 PRO HB3 1 49 ILE MG 6.460 . 6.460 2.858 2.270 3.447 . 0 0 "[ . 1 . 2]" 1
406 1 44 PRO HG2 1 45 ILE H 5.500 . 5.500 5.012 4.600 5.598 0.098 5 0 "[ . 1 . 2]" 1
407 1 44 PRO HG2 1 49 ILE MG 6.520 . 6.520 5.022 4.169 5.701 . 0 0 "[ . 1 . 2]" 1
408 1 44 PRO HG3 1 45 ILE H 5.500 . 5.500 5.422 5.026 5.659 0.159 11 0 "[ . 1 . 2]" 1
409 1 44 PRO HG3 1 49 ILE MG 6.520 . 6.520 4.267 2.752 5.018 . 0 0 "[ . 1 . 2]" 1
410 1 45 ILE H 1 45 ILE HB 3.210 . 3.210 2.586 2.465 2.967 . 0 0 "[ . 1 . 2]" 1
411 1 45 ILE H 1 45 ILE HG12 5.500 . 5.500 3.672 1.988 4.731 . 0 0 "[ . 1 . 2]" 1
412 1 45 ILE H 1 45 ILE HG13 5.500 . 5.500 3.310 1.933 4.604 . 0 0 "[ . 1 . 2]" 1
413 1 45 ILE H 1 48 PHE H 3.700 . 3.700 3.410 2.732 3.715 0.015 15 0 "[ . 1 . 2]" 1
414 1 45 ILE H 1 49 ILE HA 5.250 . 5.250 3.599 2.934 4.617 . 0 0 "[ . 1 . 2]" 1
415 1 45 ILE H 1 49 ILE MG 5.710 . 5.710 3.498 3.116 4.250 . 0 0 "[ . 1 . 2]" 1
416 1 45 ILE HA 1 48 PHE H 5.500 . 5.500 5.214 4.273 5.584 0.084 5 0 "[ . 1 . 2]" 1
417 1 45 ILE HB 1 48 PHE H 5.500 . 5.500 4.389 3.614 5.613 0.113 15 0 "[ . 1 . 2]" 1
418 1 45 ILE QG 1 48 PHE H 6.380 . 6.380 5.290 4.209 6.033 . 0 0 "[ . 1 . 2]" 1
419 1 45 ILE MG 1 46 SER H 6.360 . 6.360 2.930 2.116 4.161 . 0 0 "[ . 1 . 2]" 1
420 1 45 ILE MG 1 46 SER HA 6.330 . 6.330 4.037 3.331 5.354 . 0 0 "[ . 1 . 2]" 1
421 1 45 ILE MG 1 46 SER HB2 6.210 . 6.210 3.429 2.615 4.864 . 0 0 "[ . 1 . 2]" 1
422 1 45 ILE MG 1 46 SER QB 5.890 . 5.890 3.084 2.433 3.780 . 0 0 "[ . 1 . 2]" 1
423 1 45 ILE MG 1 46 SER HB3 6.210 . 6.210 3.920 2.684 5.331 . 0 0 "[ . 1 . 2]" 1
424 1 46 SER QB 1 48 PHE HD1 6.380 . 6.380 4.509 2.173 7.131 0.751 6 2 "[ .+ - . 2]" 1
425 1 46 SER QB 1 48 PHE HE2 6.380 . 6.380 4.400 2.358 6.432 0.052 4 0 "[ . 1 . 2]" 1
426 1 46 SER HB2 1 47 GLY H 5.500 . 5.500 3.608 1.828 4.620 . 0 0 "[ . 1 . 2]" 1
427 1 46 SER HB3 1 47 GLY H 5.500 . 5.500 3.927 1.956 4.639 . 0 0 "[ . 1 . 2]" 1
428 1 47 GLY H 1 48 PHE H 3.270 . 3.270 2.268 1.903 2.619 . 0 0 "[ . 1 . 2]" 1
429 1 48 PHE H 1 48 PHE HB2 3.860 . 3.860 3.689 2.636 3.941 0.081 5 0 "[ . 1 . 2]" 1
430 1 48 PHE H 1 48 PHE QB 3.620 . 3.620 3.036 2.588 3.337 . 0 0 "[ . 1 . 2]" 1
431 1 48 PHE H 1 48 PHE HB3 3.860 . 3.860 3.354 2.843 3.882 0.022 11 0 "[ . 1 . 2]" 1
432 1 48 PHE H 1 48 PHE HD1 5.100 . 5.100 3.621 2.199 5.039 . 0 0 "[ . 1 . 2]" 1
433 1 48 PHE H 1 49 ILE H 5.500 . 5.500 4.385 4.297 4.476 . 0 0 "[ . 1 . 2]" 1
434 1 48 PHE HA 1 49 ILE H 3.110 . 3.110 2.402 2.231 2.583 . 0 0 "[ . 1 . 2]" 1
435 1 48 PHE HA 1 84 ASP HA 5.500 . 5.500 5.311 4.633 5.593 0.093 12 0 "[ . 1 . 2]" 1
436 1 48 PHE QB 1 49 ILE H 4.180 . 4.180 2.434 2.048 3.569 . 0 0 "[ . 1 . 2]" 1
437 1 48 PHE HB2 1 49 ILE H 4.510 . 4.510 2.648 2.062 4.044 . 0 0 "[ . 1 . 2]" 1
438 1 48 PHE HB3 1 49 ILE H 4.510 . 4.510 3.565 2.330 4.060 . 0 0 "[ . 1 . 2]" 1
439 1 48 PHE HD1 1 49 ILE H 5.500 . 5.500 4.301 2.636 5.601 0.101 16 0 "[ . 1 . 2]" 1
440 1 49 ILE H 1 49 ILE HG12 4.820 . 4.820 2.802 2.057 3.768 . 0 0 "[ . 1 . 2]" 1
441 1 49 ILE H 1 49 ILE QG 4.520 . 4.520 2.530 1.888 3.279 . 0 0 "[ . 1 . 2]" 1
442 1 49 ILE H 1 49 ILE HG13 4.820 . 4.820 3.206 1.895 4.138 . 0 0 "[ . 1 . 2]" 1
443 1 49 ILE H 1 84 ASP HA 5.500 . 5.500 4.511 3.473 5.233 . 0 0 "[ . 1 . 2]" 1
444 1 49 ILE H 1 85 GLN QE 6.360 . 6.360 2.864 2.226 3.215 . 0 0 "[ . 1 . 2]" 1
445 1 49 ILE HA 1 50 THR H 3.110 . 3.110 2.666 2.501 2.810 . 0 0 "[ . 1 . 2]" 1
446 1 49 ILE HB 1 50 THR H 3.360 . 3.360 1.942 1.675 2.307 . 0 0 "[ . 1 . 2]" 1
447 1 49 ILE HB 1 53 GLN QB 6.380 . 6.380 2.440 1.655 4.740 . 0 0 "[ . 1 . 2]" 1
448 1 49 ILE MD 1 50 THR H 6.520 . 6.520 3.762 2.886 4.494 . 0 0 "[ . 1 . 2]" 1
449 1 49 ILE MD 1 53 GLN QB 7.400 . 7.400 3.961 2.120 5.858 . 0 0 "[ . 1 . 2]" 1
450 1 49 ILE QG 1 50 THR H 6.380 . 6.380 3.145 2.782 3.904 . 0 0 "[ . 1 . 2]" 1
451 1 49 ILE QG 1 51 GLY QA 7.260 . 7.260 5.343 4.768 6.582 . 0 0 "[ . 1 . 2]" 1
452 1 49 ILE QG 1 85 GLN QE 6.320 . 6.320 3.277 2.025 4.579 . 0 0 "[ . 1 . 2]" 1
453 1 49 ILE HG12 1 85 GLN HE21 7.260 . 7.260 4.329 2.339 5.546 . 0 0 "[ . 1 . 2]" 1
454 1 49 ILE HG12 1 85 GLN HE22 7.260 . 7.260 4.201 2.053 5.867 . 0 0 "[ . 1 . 2]" 1
455 1 49 ILE HG13 1 85 GLN HE21 7.260 . 7.260 4.794 2.612 5.964 . 0 0 "[ . 1 . 2]" 1
456 1 49 ILE HG13 1 85 GLN HE22 7.260 . 7.260 4.728 3.032 6.621 . 0 0 "[ . 1 . 2]" 1
457 1 49 ILE MG 1 50 THR H 6.520 . 6.520 3.477 3.026 3.802 . 0 0 "[ . 1 . 2]" 1
458 1 49 ILE MG 1 53 GLN QB 7.400 . 7.400 3.060 2.154 4.271 . 0 0 "[ . 1 . 2]" 1
459 1 49 ILE MG 1 53 GLN QE 7.380 . 7.380 3.461 2.457 4.691 . 0 0 "[ . 1 . 2]" 1
460 1 49 ILE MG 1 53 GLN QG 7.400 . 7.400 3.240 2.246 5.138 . 0 0 "[ . 1 . 2]" 1
461 1 50 THR H 1 50 THR MG 4.290 . 4.290 2.905 2.306 4.034 . 0 0 "[ . 1 . 2]" 1
462 1 50 THR H 1 51 GLY H 4.720 . 4.720 4.365 4.301 4.425 . 0 0 "[ . 1 . 2]" 1
463 1 50 THR H 1 53 GLN H 4.660 . 4.660 3.362 3.018 4.001 . 0 0 "[ . 1 . 2]" 1
464 1 50 THR H 1 53 GLN HB2 4.570 . 4.570 2.538 1.577 4.652 0.082 18 0 "[ . 1 . 2]" 1
465 1 50 THR H 1 53 GLN QB 4.120 . 4.120 2.360 1.570 4.043 . 0 0 "[ . 1 . 2]" 1
466 1 50 THR H 1 53 GLN HB3 4.570 . 4.570 3.730 2.012 4.588 0.018 16 0 "[ . 1 . 2]" 1
467 1 50 THR H 1 53 GLN QG 6.380 . 6.380 3.154 2.053 3.998 . 0 0 "[ . 1 . 2]" 1
468 1 50 THR HA 1 51 GLY H 2.990 . 2.990 2.624 2.464 2.839 . 0 0 "[ . 1 . 2]" 1
469 1 50 THR HA 1 85 GLN QE 6.360 . 6.360 6.408 5.548 6.589 0.229 17 0 "[ . 1 . 2]" 1
470 1 50 THR HB 1 51 GLY H 3.790 . 3.790 3.273 1.934 3.760 . 0 0 "[ . 1 . 2]" 1
471 1 50 THR HB 1 52 ASP QB 6.380 . 6.380 4.589 3.201 5.503 . 0 0 "[ . 1 . 2]" 1
472 1 50 THR MG 1 51 GLY H 5.310 . 5.310 2.659 1.409 3.396 . 0 0 "[ . 1 . 2]" 1
473 1 50 THR MG 1 52 ASP HB2 6.520 . 6.520 3.916 2.889 5.840 . 0 0 "[ . 1 . 2]" 1
474 1 50 THR MG 1 52 ASP HB3 6.520 . 6.520 3.478 2.006 6.511 . 0 0 "[ . 1 . 2]" 1
475 1 50 THR MG 1 53 GLN H 6.390 . 6.390 3.084 1.859 5.157 . 0 0 "[ . 1 . 2]" 1
476 1 50 THR MG 1 53 GLN QG 7.400 . 7.400 3.583 2.010 6.329 . 0 0 "[ . 1 . 2]" 1
477 1 50 THR MG 1 54 ALA H 6.520 . 6.520 4.455 3.563 5.834 . 0 0 "[ . 1 . 2]" 1
478 1 51 GLY H 1 52 ASP H 3.830 . 3.830 2.796 2.620 2.913 . 0 0 "[ . 1 . 2]" 1
479 1 51 GLY H 1 54 ALA MB 6.520 . 6.520 4.469 4.119 4.845 . 0 0 "[ . 1 . 2]" 1
480 1 51 GLY QA 1 54 ALA H 5.420 . 5.420 3.331 3.094 3.513 . 0 0 "[ . 1 . 2]" 1
481 1 51 GLY QA 1 54 ALA MB 7.400 . 7.400 2.366 1.920 2.747 . 0 0 "[ . 1 . 2]" 1
482 1 51 GLY QA 1 72 TRP HZ3 6.380 . 6.380 5.609 5.172 6.400 0.020 9 0 "[ . 1 . 2]" 1
483 1 51 GLY HA2 1 72 TRP HH2 5.500 . 5.500 5.483 5.019 5.622 0.122 2 0 "[ . 1 . 2]" 1
484 1 51 GLY HA3 1 72 TRP HH2 5.500 . 5.500 4.684 3.929 5.516 0.016 2 0 "[ . 1 . 2]" 1
485 1 52 ASP H 1 52 ASP HB2 3.480 . 3.480 2.512 2.270 2.736 . 0 0 "[ . 1 . 2]" 1
486 1 52 ASP H 1 52 ASP QB 3.180 . 3.180 2.274 2.220 2.402 . 0 0 "[ . 1 . 2]" 1
487 1 52 ASP H 1 52 ASP HB3 3.480 . 3.480 2.707 2.351 3.583 0.103 4 0 "[ . 1 . 2]" 1
488 1 52 ASP H 1 53 GLN H 3.790 . 3.790 2.716 2.518 2.837 . 0 0 "[ . 1 . 2]" 1
489 1 52 ASP HA 1 55 ARG H 4.040 . 4.040 3.654 3.278 3.973 . 0 0 "[ . 1 . 2]" 1
490 1 52 ASP HA 1 55 ARG QB 5.730 . 5.730 3.272 2.098 4.209 . 0 0 "[ . 1 . 2]" 1
491 1 52 ASP HA 1 56 ASN H 5.500 . 5.500 4.422 3.872 5.195 . 0 0 "[ . 1 . 2]" 1
492 1 52 ASP HB2 1 53 GLN H 4.720 . 4.720 3.662 2.400 3.983 . 0 0 "[ . 1 . 2]" 1
493 1 52 ASP HB3 1 53 GLN H 4.720 . 4.720 2.691 2.331 3.514 . 0 0 "[ . 1 . 2]" 1
494 1 53 GLN H 1 53 GLN QB 3.810 . 3.810 2.387 2.127 2.606 . 0 0 "[ . 1 . 2]" 1
495 1 53 GLN H 1 53 GLN HG2 5.500 . 5.500 3.163 2.134 4.472 . 0 0 "[ . 1 . 2]" 1
496 1 53 GLN H 1 53 GLN HG3 5.500 . 5.500 3.432 2.075 4.508 . 0 0 "[ . 1 . 2]" 1
497 1 53 GLN H 1 54 ALA H 3.360 . 3.360 2.541 2.414 2.705 . 0 0 "[ . 1 . 2]" 1
498 1 53 GLN H 1 55 ARG H 4.880 . 4.880 4.231 3.950 4.459 . 0 0 "[ . 1 . 2]" 1
499 1 53 GLN HA 1 56 ASN H 5.500 . 5.500 3.476 3.160 3.724 . 0 0 "[ . 1 . 2]" 1
500 1 53 GLN HA 1 56 ASN HB2 4.450 . 4.450 3.398 2.872 4.059 . 0 0 "[ . 1 . 2]" 1
501 1 53 GLN HA 1 56 ASN HB3 5.130 . 5.130 3.148 2.287 4.678 . 0 0 "[ . 1 . 2]" 1
502 1 53 GLN HA 1 56 ASN QD 6.360 . 6.360 4.257 3.161 5.825 . 0 0 "[ . 1 . 2]" 1
503 1 53 GLN QB 1 54 ALA H 3.890 . 3.890 2.689 2.457 3.551 . 0 0 "[ . 1 . 2]" 1
504 1 53 GLN HB2 1 54 ALA H 4.110 . 4.110 2.895 2.516 3.998 . 0 0 "[ . 1 . 2]" 1
505 1 53 GLN HB3 1 54 ALA H 4.110 . 4.110 3.562 2.761 4.059 . 0 0 "[ . 1 . 2]" 1
506 1 53 GLN HG2 1 54 ALA H 5.500 . 5.500 4.581 3.887 5.183 . 0 0 "[ . 1 . 2]" 1
507 1 53 GLN HG3 1 54 ALA H 5.500 . 5.500 4.701 2.374 5.194 . 0 0 "[ . 1 . 2]" 1
508 1 54 ALA H 1 55 ARG H 3.450 . 3.450 2.758 2.609 2.915 . 0 0 "[ . 1 . 2]" 1
509 1 54 ALA HA 1 57 PHE H 4.350 . 4.350 3.629 3.327 3.935 . 0 0 "[ . 1 . 2]" 1
510 1 54 ALA HA 1 57 PHE HB2 4.910 . 4.910 3.732 3.012 4.580 . 0 0 "[ . 1 . 2]" 1
511 1 54 ALA HA 1 57 PHE HB3 5.500 . 5.500 3.117 2.547 3.729 . 0 0 "[ . 1 . 2]" 1
512 1 54 ALA HA 1 58 PHE H 5.040 . 5.040 4.219 3.568 4.987 . 0 0 "[ . 1 . 2]" 1
513 1 54 ALA MB 1 55 ARG HA 6.520 . 6.520 3.779 3.697 3.853 . 0 0 "[ . 1 . 2]" 1
514 1 54 ALA MB 1 58 PHE QD 6.080 . 6.080 3.840 2.934 4.327 . 0 0 "[ . 1 . 2]" 1
515 1 54 ALA MB 1 72 TRP HH2 6.520 . 6.520 6.210 5.785 6.544 0.024 18 0 "[ . 1 . 2]" 1
516 1 54 ALA MB 1 72 TRP HZ3 6.430 . 6.430 6.455 6.224 6.560 0.130 6 0 "[ . 1 . 2]" 1
517 1 55 ARG H 1 55 ARG HB2 3.760 . 3.760 2.820 2.210 3.627 . 0 0 "[ . 1 . 2]" 1
518 1 55 ARG H 1 55 ARG HB3 3.760 . 3.760 2.923 2.445 3.599 . 0 0 "[ . 1 . 2]" 1
519 1 55 ARG H 1 55 ARG HD2 5.500 . 5.500 4.437 3.734 4.933 . 0 0 "[ . 1 . 2]" 1
520 1 55 ARG H 1 55 ARG HD3 5.500 . 5.500 4.581 3.610 5.768 0.268 12 0 "[ . 1 . 2]" 1
521 1 55 ARG H 1 55 ARG HG2 5.070 . 5.070 3.405 2.124 4.581 . 0 0 "[ . 1 . 2]" 1
522 1 55 ARG H 1 55 ARG QG 4.700 . 4.700 2.782 1.746 4.036 . 0 0 "[ . 1 . 2]" 1
523 1 55 ARG H 1 55 ARG HG3 5.070 . 5.070 3.292 1.758 4.482 . 0 0 "[ . 1 . 2]" 1
524 1 55 ARG H 1 56 ASN H 3.420 . 3.420 2.748 2.634 2.903 . 0 0 "[ . 1 . 2]" 1
525 1 55 ARG HA 1 55 ARG HD2 5.500 . 5.500 4.306 2.107 5.526 0.026 16 0 "[ . 1 . 2]" 1
526 1 55 ARG HA 1 55 ARG HD3 5.500 . 5.500 4.346 2.018 5.532 0.032 3 0 "[ . 1 . 2]" 1
527 1 55 ARG HA 1 58 PHE H 3.980 . 3.980 3.780 3.463 4.082 0.102 10 0 "[ . 1 . 2]" 1
528 1 55 ARG HA 1 58 PHE QB 6.290 . 6.290 3.461 2.369 5.314 . 0 0 "[ . 1 . 2]" 1
529 1 55 ARG HA 1 58 PHE QD 5.040 . 5.040 3.348 1.993 4.684 . 0 0 "[ . 1 . 2]" 1
530 1 55 ARG HA 1 59 PHE H 4.660 . 4.660 4.037 3.658 4.390 . 0 0 "[ . 1 . 2]" 1
531 1 55 ARG QB 1 56 ASN H 3.810 . 3.810 2.776 2.233 3.567 . 0 0 "[ . 1 . 2]" 1
532 1 55 ARG HB2 1 56 ASN H 4.140 . 4.140 3.357 2.258 3.937 . 0 0 "[ . 1 . 2]" 1
533 1 55 ARG HB3 1 56 ASN H 4.140 . 4.140 3.330 2.327 4.110 . 0 0 "[ . 1 . 2]" 1
534 1 55 ARG HD2 1 56 ASN H 5.500 . 5.500 4.898 3.474 5.680 0.180 4 0 "[ . 1 . 2]" 1
535 1 55 ARG HD3 1 56 ASN H 5.500 . 5.500 4.900 2.486 5.532 0.032 5 0 "[ . 1 . 2]" 1
536 1 55 ARG QG 1 56 ASN H 6.380 . 6.380 3.344 1.949 4.487 . 0 0 "[ . 1 . 2]" 1
537 1 56 ASN H 1 56 ASN HB2 2.860 . 2.860 2.486 2.255 2.644 . 0 0 "[ . 1 . 2]" 1
538 1 56 ASN H 1 56 ASN HB3 3.480 . 3.480 2.698 2.438 3.573 0.093 13 0 "[ . 1 . 2]" 1
539 1 56 ASN H 1 57 PHE H 3.360 . 3.360 2.692 2.498 2.913 . 0 0 "[ . 1 . 2]" 1
540 1 56 ASN H 1 58 PHE H 4.720 . 4.720 4.388 4.061 4.751 0.031 11 0 "[ . 1 . 2]" 1
541 1 56 ASN HA 1 59 PHE H 4.110 . 4.110 3.615 3.053 3.977 . 0 0 "[ . 1 . 2]" 1
542 1 56 ASN HA 1 59 PHE HB2 3.830 . 3.830 3.546 2.442 3.891 0.061 5 0 "[ . 1 . 2]" 1
543 1 56 ASN HA 1 59 PHE HB3 3.830 . 3.830 2.788 2.092 3.500 . 0 0 "[ . 1 . 2]" 1
544 1 56 ASN HA 1 60 GLN H 4.170 . 4.170 4.057 3.728 4.278 0.108 4 0 "[ . 1 . 2]" 1
545 1 56 ASN HB2 1 57 PHE H 4.040 . 4.040 3.694 2.645 4.059 0.019 19 0 "[ . 1 . 2]" 1
546 1 56 ASN HB3 1 57 PHE H 3.860 . 3.860 2.701 2.329 3.669 . 0 0 "[ . 1 . 2]" 1
547 1 57 PHE H 1 57 PHE HB2 3.610 . 3.610 2.509 2.431 2.610 . 0 0 "[ . 1 . 2]" 1
548 1 57 PHE H 1 57 PHE HB3 3.610 . 3.610 2.560 2.470 2.628 . 0 0 "[ . 1 . 2]" 1
549 1 57 PHE H 1 57 PHE HD1 5.500 . 5.500 4.681 4.553 4.788 . 0 0 "[ . 1 . 2]" 1
550 1 57 PHE H 1 58 PHE H 3.270 . 3.270 2.802 2.652 2.963 . 0 0 "[ . 1 . 2]" 1
551 1 57 PHE H 1 59 PHE H 5.500 . 5.500 4.088 3.780 4.270 . 0 0 "[ . 1 . 2]" 1
552 1 57 PHE HA 1 57 PHE QE 5.500 . 5.500 4.623 4.491 4.674 . 0 0 "[ . 1 . 2]" 1
553 1 57 PHE HB2 1 58 PHE H 4.010 . 4.010 3.773 3.678 3.888 . 0 0 "[ . 1 . 2]" 1
554 1 57 PHE HB3 1 58 PHE H 3.700 . 3.700 2.401 2.233 2.558 . 0 0 "[ . 1 . 2]" 1
555 1 57 PHE HB3 1 95 ILE MG 6.520 . 6.520 6.119 5.313 6.567 0.047 7 0 "[ . 1 . 2]" 1
556 1 57 PHE HD1 1 58 PHE H 5.500 . 5.500 4.222 3.025 5.582 0.082 5 0 "[ . 1 . 2]" 1
557 1 57 PHE QE 1 58 PHE H 5.500 . 5.500 5.358 5.235 5.407 . 0 0 "[ . 1 . 2]" 1
558 1 58 PHE H 1 58 PHE HB2 4.040 . 4.040 2.786 2.263 3.655 . 0 0 "[ . 1 . 2]" 1
559 1 58 PHE H 1 58 PHE HB3 4.040 . 4.040 3.439 2.904 3.623 . 0 0 "[ . 1 . 2]" 1
560 1 58 PHE H 1 58 PHE QD 4.600 . 4.600 2.693 1.873 3.064 . 0 0 "[ . 1 . 2]" 1
561 1 58 PHE H 1 59 PHE H 3.390 . 3.390 2.668 2.362 2.891 . 0 0 "[ . 1 . 2]" 1
562 1 58 PHE HA 1 68 LEU MD2 6.520 . 6.520 3.355 2.698 3.986 . 0 0 "[ . 1 . 2]" 1
563 1 58 PHE HA 1 95 ILE MD 5.870 . 5.870 3.003 1.994 4.095 . 0 0 "[ . 1 . 2]" 1
564 1 58 PHE HA 1 95 ILE MG 6.520 . 6.520 3.454 2.871 3.887 . 0 0 "[ . 1 . 2]" 1
565 1 58 PHE QB 1 68 LEU MD1 7.400 . 7.400 2.875 1.743 4.470 . 0 0 "[ . 1 . 2]" 1
566 1 58 PHE QB 1 68 LEU MD2 5.780 . 5.780 1.703 1.186 2.622 . 0 0 "[ . 1 . 2]" 1
567 1 58 PHE QB 1 95 ILE MD 6.100 . 6.100 3.304 1.910 4.625 . 0 0 "[ . 1 . 2]" 1
568 1 58 PHE QB 1 95 ILE MG 7.400 . 7.400 4.136 2.645 5.223 . 0 0 "[ . 1 . 2]" 1
569 1 58 PHE HB2 1 59 PHE H 5.500 . 5.500 2.929 2.339 4.025 . 0 0 "[ . 1 . 2]" 1
570 1 58 PHE HB2 1 68 LEU MD2 6.180 . 6.180 2.403 1.578 3.703 . 0 0 "[ . 1 . 2]" 1
571 1 58 PHE HB2 1 95 ILE MD 6.520 . 6.520 4.364 3.010 5.501 . 0 0 "[ . 1 . 2]" 1
572 1 58 PHE HB3 1 59 PHE H 5.500 . 5.500 3.763 3.302 4.392 . 0 0 "[ . 1 . 2]" 1
573 1 58 PHE HB3 1 68 LEU MD2 6.180 . 6.180 2.183 1.188 4.111 . 0 0 "[ . 1 . 2]" 1
574 1 58 PHE HB3 1 95 ILE MD 6.520 . 6.520 3.449 1.932 4.974 . 0 0 "[ . 1 . 2]" 1
575 1 58 PHE QD 1 59 PHE H 5.500 . 5.500 3.930 2.425 4.387 . 0 0 "[ . 1 . 2]" 1
576 1 58 PHE QD 1 95 ILE MD 5.220 . 5.220 2.735 1.986 3.724 . 0 0 "[ . 1 . 2]" 1
577 1 58 PHE QD 1 95 ILE MG 6.520 . 6.520 4.189 3.242 5.877 . 0 0 "[ . 1 . 2]" 1
578 1 59 PHE H 1 59 PHE HB2 3.300 . 3.300 2.469 2.103 2.597 . 0 0 "[ . 1 . 2]" 1
579 1 59 PHE H 1 59 PHE QB 3.100 . 3.100 2.240 2.083 2.273 . 0 0 "[ . 1 . 2]" 1
580 1 59 PHE H 1 59 PHE HB3 3.300 . 3.300 2.613 2.448 3.376 0.076 11 0 "[ . 1 . 2]" 1
581 1 59 PHE H 1 59 PHE HD1 5.500 . 5.500 4.598 4.418 5.046 . 0 0 "[ . 1 . 2]" 1
582 1 59 PHE H 1 60 GLN H 3.360 . 3.360 2.598 2.470 2.826 . 0 0 "[ . 1 . 2]" 1
583 1 59 PHE H 1 68 LEU MD1 6.520 . 6.520 3.254 2.758 4.302 . 0 0 "[ . 1 . 2]" 1
584 1 59 PHE H 1 68 LEU MD2 6.520 . 6.520 3.551 2.756 4.572 . 0 0 "[ . 1 . 2]" 1
585 1 59 PHE H 1 95 ILE MG 6.520 . 6.520 6.249 5.682 6.608 0.088 18 0 "[ . 1 . 2]" 1
586 1 59 PHE HA 1 61 SER H 4.510 . 4.510 3.774 3.545 4.101 . 0 0 "[ . 1 . 2]" 1
587 1 59 PHE HA 1 62 GLY H 4.540 . 4.540 3.751 3.365 4.126 . 0 0 "[ . 1 . 2]" 1
588 1 59 PHE HA 1 63 LEU H 5.500 . 5.500 3.701 2.731 5.333 . 0 0 "[ . 1 . 2]" 1
589 1 59 PHE HA 1 68 LEU MD1 4.690 . 4.690 2.396 1.740 4.731 0.041 1 0 "[ . 1 . 2]" 1
590 1 59 PHE HA 1 68 LEU MD2 6.520 . 6.520 2.895 2.305 4.131 . 0 0 "[ . 1 . 2]" 1
591 1 59 PHE QB 1 60 GLN H 4.140 . 4.140 2.660 2.446 2.832 . 0 0 "[ . 1 . 2]" 1
592 1 59 PHE QB 1 68 LEU MD1 7.400 . 7.400 2.682 2.105 3.759 . 0 0 "[ . 1 . 2]" 1
593 1 59 PHE HB2 1 60 GLN H 4.350 . 4.350 3.842 3.003 4.041 . 0 0 "[ . 1 . 2]" 1
594 1 59 PHE HB3 1 60 GLN H 4.350 . 4.350 2.724 2.484 3.056 . 0 0 "[ . 1 . 2]" 1
595 1 59 PHE HD1 1 60 GLN H 5.500 . 5.500 5.489 5.166 5.553 0.053 10 0 "[ . 1 . 2]" 1
596 1 59 PHE HD1 1 68 LEU MD1 5.370 . 5.370 2.390 1.696 3.713 . 0 0 "[ . 1 . 2]" 1
597 1 59 PHE HD1 1 68 LEU MD2 6.520 . 6.520 4.161 3.200 5.841 . 0 0 "[ . 1 . 2]" 1
598 1 60 GLN H 1 60 GLN HB2 3.890 . 3.890 2.498 2.061 3.620 . 0 0 "[ . 1 . 2]" 1
599 1 60 GLN H 1 60 GLN QB 3.630 . 3.630 2.236 2.034 2.532 . 0 0 "[ . 1 . 2]" 1
600 1 60 GLN H 1 60 GLN HB3 3.890 . 3.890 2.753 2.424 3.603 . 0 0 "[ . 1 . 2]" 1
601 1 60 GLN H 1 60 GLN QE 6.360 . 6.360 4.561 3.285 5.124 . 0 0 "[ . 1 . 2]" 1
602 1 60 GLN H 1 60 GLN HG2 4.450 . 4.450 4.020 2.075 4.549 0.099 16 0 "[ . 1 . 2]" 1
603 1 60 GLN H 1 60 GLN HG3 4.450 . 4.450 4.197 2.418 4.537 0.087 10 0 "[ . 1 . 2]" 1
604 1 60 GLN H 1 61 SER H 3.450 . 3.450 2.606 2.425 2.726 . 0 0 "[ . 1 . 2]" 1
605 1 60 GLN H 1 68 LEU MD1 6.520 . 6.520 4.899 4.465 6.189 . 0 0 "[ . 1 . 2]" 1
606 1 60 GLN H 1 95 ILE MG 6.520 . 6.520 6.324 5.545 6.627 0.107 6 0 "[ . 1 . 2]" 1
607 1 60 GLN HB2 1 61 SER H 5.280 . 5.280 3.997 3.385 4.380 . 0 0 "[ . 1 . 2]" 1
608 1 60 GLN HB3 1 61 SER H 5.280 . 5.280 3.421 2.648 4.346 . 0 0 "[ . 1 . 2]" 1
609 1 60 GLN QE 1 61 SER H 6.360 . 6.360 4.881 3.243 6.266 . 0 0 "[ . 1 . 2]" 1
610 1 61 SER H 1 61 SER HB2 3.890 . 3.890 2.736 2.471 3.659 . 0 0 "[ . 1 . 2]" 1
611 1 61 SER H 1 61 SER HB3 3.890 . 3.890 3.306 2.521 3.639 . 0 0 "[ . 1 . 2]" 1
612 1 61 SER H 1 62 GLY H 3.270 . 3.270 2.471 2.315 2.768 . 0 0 "[ . 1 . 2]" 1
613 1 61 SER H 1 63 LEU H 4.660 . 4.660 3.921 3.484 4.514 . 0 0 "[ . 1 . 2]" 1
614 1 61 SER H 1 63 LEU MD1 6.300 . 6.300 5.294 4.683 5.797 . 0 0 "[ . 1 . 2]" 1
615 1 61 SER H 1 95 ILE MG 6.520 . 6.520 4.689 4.032 5.090 . 0 0 "[ . 1 . 2]" 1
616 1 61 SER HA 1 63 LEU H 5.160 . 5.160 4.954 4.442 5.247 0.087 5 0 "[ . 1 . 2]" 1
617 1 61 SER QB 1 62 GLY H 4.030 . 4.030 3.168 2.446 3.624 . 0 0 "[ . 1 . 2]" 1
618 1 61 SER QB 1 63 LEU H 6.260 . 6.260 3.398 2.758 3.841 . 0 0 "[ . 1 . 2]" 1
619 1 61 SER QB 1 63 LEU MD1 6.970 . 6.970 3.188 2.653 3.726 . 0 0 "[ . 1 . 2]" 1
620 1 61 SER QB 1 68 LEU MD2 7.400 . 7.400 3.832 2.862 5.357 . 0 0 "[ . 1 . 2]" 1
621 1 61 SER QB 1 95 ILE MG 5.170 . 5.170 2.453 1.943 2.933 . 0 0 "[ . 1 . 2]" 1
622 1 61 SER QB 1 99 LEU QD 7.240 . 7.240 2.292 1.497 3.373 . 0 0 "[ . 1 . 2]" 1
623 1 61 SER HB2 1 62 GLY H 4.230 . 4.230 3.447 2.899 4.167 . 0 0 "[ . 1 . 2]" 1
624 1 61 SER HB2 1 95 ILE MG 5.650 . 5.650 2.876 2.410 3.445 . 0 0 "[ . 1 . 2]" 1
625 1 61 SER HB2 1 99 LEU MD1 8.280 . 8.280 3.430 1.555 4.321 . 0 0 "[ . 1 . 2]" 1
626 1 61 SER HB2 1 99 LEU MD2 8.280 . 8.280 3.688 1.862 5.168 . 0 0 "[ . 1 . 2]" 1
627 1 61 SER HB3 1 62 GLY H 4.230 . 4.230 3.979 2.475 4.275 0.045 4 0 "[ . 1 . 2]" 1
628 1 61 SER HB3 1 95 ILE MG 5.650 . 5.650 2.706 2.015 3.379 . 0 0 "[ . 1 . 2]" 1
629 1 61 SER HB3 1 99 LEU MD1 8.280 . 8.280 2.796 1.509 4.429 . 0 0 "[ . 1 . 2]" 1
630 1 61 SER HB3 1 99 LEU MD2 8.280 . 8.280 3.530 1.986 5.020 . 0 0 "[ . 1 . 2]" 1
631 1 62 GLY H 1 63 LEU H 3.050 . 3.050 2.266 2.038 2.419 . 0 0 "[ . 1 . 2]" 1
632 1 62 GLY H 1 63 LEU MD1 6.240 . 6.240 5.167 4.909 5.450 . 0 0 "[ . 1 . 2]" 1
633 1 62 GLY H 1 68 LEU MD2 6.520 . 6.520 4.360 3.315 6.388 . 0 0 "[ . 1 . 2]" 1
634 1 62 GLY QA 1 99 LEU QD 8.940 . 8.940 3.538 3.032 4.270 . 0 0 "[ . 1 . 2]" 1
635 1 63 LEU H 1 63 LEU HB2 4.040 . 4.040 2.441 2.299 2.609 . 0 0 "[ . 1 . 2]" 1
636 1 63 LEU H 1 63 LEU QB 3.850 . 3.850 2.405 2.272 2.562 . 0 0 "[ . 1 . 2]" 1
637 1 63 LEU H 1 63 LEU HB3 4.040 . 4.040 3.645 3.560 3.749 . 0 0 "[ . 1 . 2]" 1
638 1 63 LEU H 1 63 LEU MD1 4.880 . 4.880 3.894 3.588 4.185 . 0 0 "[ . 1 . 2]" 1
639 1 63 LEU H 1 63 LEU MD2 5.620 . 5.620 3.921 3.661 4.105 . 0 0 "[ . 1 . 2]" 1
640 1 63 LEU H 1 63 LEU HG 4.850 . 4.850 3.036 2.602 3.411 . 0 0 "[ . 1 . 2]" 1
641 1 63 LEU H 1 64 PRO HD2 5.500 . 5.500 5.175 4.794 5.465 . 0 0 "[ . 1 . 2]" 1
642 1 63 LEU H 1 64 PRO HD3 5.500 . 5.500 4.719 4.521 5.135 . 0 0 "[ . 1 . 2]" 1
643 1 63 LEU H 1 68 LEU MD2 6.520 . 6.520 3.092 2.257 5.507 . 0 0 "[ . 1 . 2]" 1
644 1 63 LEU H 1 99 LEU MD1 6.520 . 6.520 5.367 4.452 5.879 . 0 0 "[ . 1 . 2]" 1
645 1 63 LEU H 1 99 LEU MD2 6.520 . 6.520 4.018 3.408 4.834 . 0 0 "[ . 1 . 2]" 1
646 1 63 LEU HA 1 63 LEU MD2 4.500 . 4.500 2.008 1.894 2.087 . 0 0 "[ . 1 . 2]" 1
647 1 63 LEU HA 1 64 PRO HD2 3.670 . 3.670 2.718 2.182 3.008 . 0 0 "[ . 1 . 2]" 1
648 1 63 LEU HA 1 64 PRO QD 3.480 . 3.480 1.903 1.719 2.097 . 0 0 "[ . 1 . 2]" 1
649 1 63 LEU HA 1 64 PRO HD3 3.670 . 3.670 1.985 1.731 2.429 . 0 0 "[ . 1 . 2]" 1
650 1 63 LEU HA 1 64 PRO HG2 5.500 . 5.500 4.475 4.359 4.625 . 0 0 "[ . 1 . 2]" 1
651 1 63 LEU HA 1 64 PRO HG3 5.500 . 5.500 4.107 3.748 4.520 . 0 0 "[ . 1 . 2]" 1
652 1 63 LEU HA 1 68 LEU MD2 6.520 . 6.520 4.184 3.883 6.540 0.020 1 0 "[ . 1 . 2]" 1
653 1 63 LEU HA 1 99 LEU QD 8.070 . 8.070 3.803 3.480 4.141 . 0 0 "[ . 1 . 2]" 1
654 1 63 LEU QB 1 64 PRO QD 5.240 . 5.240 2.478 2.223 2.696 . 0 0 "[ . 1 . 2]" 1
655 1 63 LEU QB 1 67 VAL HB 6.040 . 6.040 2.538 2.121 2.755 . 0 0 "[ . 1 . 2]" 1
656 1 63 LEU QB 1 67 VAL MG1 6.100 . 6.100 2.465 2.103 2.910 . 0 0 "[ . 1 . 2]" 1
657 1 63 LEU QB 1 67 VAL MG2 7.400 . 7.400 3.602 3.173 3.891 . 0 0 "[ . 1 . 2]" 1
658 1 63 LEU QB 1 68 LEU H 5.230 . 5.230 3.800 3.576 4.010 . 0 0 "[ . 1 . 2]" 1
659 1 63 LEU QB 1 68 LEU HA 6.380 . 6.380 3.918 3.698 4.126 . 0 0 "[ . 1 . 2]" 1
660 1 63 LEU QB 1 68 LEU MD2 7.400 . 7.400 1.946 1.668 3.840 . 0 0 "[ . 1 . 2]" 1
661 1 63 LEU QB 1 71 ILE MD 7.400 . 7.400 3.616 3.105 4.292 . 0 0 "[ . 1 . 2]" 1
662 1 63 LEU QB 1 95 ILE MG 7.400 . 7.400 4.178 3.504 4.932 . 0 0 "[ . 1 . 2]" 1
663 1 63 LEU HB2 1 64 PRO HD2 5.500 . 5.500 4.153 3.814 4.473 . 0 0 "[ . 1 . 2]" 1
664 1 63 LEU HB2 1 64 PRO HD3 5.500 . 5.500 4.541 4.261 4.999 . 0 0 "[ . 1 . 2]" 1
665 1 63 LEU HB3 1 64 PRO HD2 5.500 . 5.500 2.596 2.284 2.957 . 0 0 "[ . 1 . 2]" 1
666 1 63 LEU HB3 1 64 PRO HD3 5.500 . 5.500 3.432 3.010 3.919 . 0 0 "[ . 1 . 2]" 1
667 1 63 LEU MD1 1 71 ILE MD 7.010 . 7.010 2.267 1.928 2.761 . 0 0 "[ . 1 . 2]" 1
668 1 63 LEU MD1 1 95 ILE HA 6.520 . 6.520 2.917 2.249 3.262 . 0 0 "[ . 1 . 2]" 1
669 1 63 LEU MD1 1 98 LYS HB2 6.520 . 6.520 2.811 2.182 3.711 . 0 0 "[ . 1 . 2]" 1
670 1 63 LEU MD1 1 98 LYS QB 5.800 . 5.800 2.312 1.955 3.172 . 0 0 "[ . 1 . 2]" 1
671 1 63 LEU MD1 1 98 LYS HB3 6.520 . 6.520 2.670 2.054 4.267 . 0 0 "[ . 1 . 2]" 1
672 1 63 LEU MD1 1 98 LYS QD 7.400 . 7.400 3.233 2.437 3.949 . 0 0 "[ . 1 . 2]" 1
673 1 63 LEU MD1 1 99 LEU H 6.180 . 6.180 3.377 2.958 4.181 . 0 0 "[ . 1 . 2]" 1
674 1 63 LEU MD2 1 64 PRO HD2 5.430 . 5.430 2.712 2.360 3.150 . 0 0 "[ . 1 . 2]" 1
675 1 63 LEU MD2 1 64 PRO QD 5.270 . 5.270 2.415 2.165 2.683 . 0 0 "[ . 1 . 2]" 1
676 1 63 LEU MD2 1 64 PRO HD3 5.430 . 5.430 2.795 2.465 3.260 . 0 0 "[ . 1 . 2]" 1
677 1 63 LEU MD2 1 64 PRO QG 7.190 . 7.190 3.971 3.715 4.305 . 0 0 "[ . 1 . 2]" 1
678 1 63 LEU MD2 1 67 VAL H 6.520 . 6.520 5.587 5.243 5.834 . 0 0 "[ . 1 . 2]" 1
679 1 63 LEU MD2 1 67 VAL HA 6.520 . 6.520 5.379 4.962 5.710 . 0 0 "[ . 1 . 2]" 1
680 1 63 LEU MD2 1 67 VAL HB 6.520 . 6.520 3.507 3.104 3.849 . 0 0 "[ . 1 . 2]" 1
681 1 63 LEU MD2 1 98 LYS H 6.520 . 6.520 5.266 4.653 5.937 . 0 0 "[ . 1 . 2]" 1
682 1 63 LEU MD2 1 98 LYS HB2 6.050 . 6.050 3.923 3.064 4.801 . 0 0 "[ . 1 . 2]" 1
683 1 63 LEU MD2 1 98 LYS QB 5.710 . 5.710 3.017 2.217 3.531 . 0 0 "[ . 1 . 2]" 1
684 1 63 LEU MD2 1 98 LYS HB3 6.050 . 6.050 3.170 2.275 3.647 . 0 0 "[ . 1 . 2]" 1
685 1 63 LEU MD2 1 98 LYS HD2 6.520 . 6.520 5.148 3.683 6.170 . 0 0 "[ . 1 . 2]" 1
686 1 63 LEU MD2 1 98 LYS HD3 6.520 . 6.520 4.223 3.380 5.226 . 0 0 "[ . 1 . 2]" 1
687 1 63 LEU MD2 1 98 LYS HE2 5.900 . 5.900 5.293 4.023 5.951 0.051 19 0 "[ . 1 . 2]" 1
688 1 63 LEU MD2 1 98 LYS QE 5.770 . 5.770 4.581 3.695 5.280 . 0 0 "[ . 1 . 2]" 1
689 1 63 LEU MD2 1 98 LYS HE3 5.900 . 5.900 5.196 3.800 5.930 0.030 12 0 "[ . 1 . 2]" 1
690 1 63 LEU MD2 1 98 LYS HG2 6.520 . 6.520 4.714 2.620 5.761 . 0 0 "[ . 1 . 2]" 1
691 1 63 LEU MD2 1 98 LYS QG 6.080 . 6.080 4.143 2.188 5.025 . 0 0 "[ . 1 . 2]" 1
692 1 63 LEU MD2 1 98 LYS HG3 6.520 . 6.520 4.709 2.226 5.812 . 0 0 "[ . 1 . 2]" 1
693 1 63 LEU MD2 1 99 LEU H 6.520 . 6.520 3.834 3.295 4.308 . 0 0 "[ . 1 . 2]" 1
694 1 63 LEU MD2 1 99 LEU HA 6.520 . 6.520 2.542 1.815 3.404 . 0 0 "[ . 1 . 2]" 1
695 1 63 LEU HG 1 99 LEU HA 5.500 . 5.500 4.283 3.614 5.508 0.008 1 0 "[ . 1 . 2]" 1
696 1 63 LEU HG 1 99 LEU HB2 5.500 . 5.500 5.531 5.148 5.658 0.158 20 0 "[ . 1 . 2]" 1
697 1 64 PRO HA 1 65 GLN H 3.210 . 3.210 2.293 2.211 2.405 . 0 0 "[ . 1 . 2]" 1
698 1 64 PRO HB2 1 66 PRO HD2 5.500 . 5.500 2.312 1.769 3.007 . 0 0 "[ . 1 . 2]" 1
699 1 64 PRO HB2 1 66 PRO QD 4.940 . 4.940 2.295 1.761 2.970 . 0 0 "[ . 1 . 2]" 1
700 1 64 PRO HB2 1 66 PRO HD3 5.500 . 5.500 3.934 3.215 4.624 . 0 0 "[ . 1 . 2]" 1
701 1 64 PRO HB2 1 67 VAL H 4.570 . 4.570 2.969 2.567 3.640 . 0 0 "[ . 1 . 2]" 1
702 1 64 PRO HB2 1 67 VAL MG1 6.520 . 6.520 4.856 4.119 5.729 . 0 0 "[ . 1 . 2]" 1
703 1 64 PRO HB2 1 67 VAL MG2 6.150 . 6.150 2.753 2.126 3.864 . 0 0 "[ . 1 . 2]" 1
704 1 64 PRO HB3 1 65 GLN H 4.230 . 4.230 3.203 2.986 3.539 . 0 0 "[ . 1 . 2]" 1
705 1 64 PRO HB3 1 66 PRO HD2 5.500 . 5.500 3.150 2.761 3.879 . 0 0 "[ . 1 . 2]" 1
706 1 64 PRO HB3 1 66 PRO QD 4.910 . 4.910 3.092 2.718 3.740 . 0 0 "[ . 1 . 2]" 1
707 1 64 PRO HB3 1 66 PRO HD3 5.500 . 5.500 4.559 4.075 5.286 . 0 0 "[ . 1 . 2]" 1
708 1 64 PRO HB3 1 67 VAL MG2 5.530 . 5.530 4.039 3.599 4.691 . 0 0 "[ . 1 . 2]" 1
709 1 64 PRO QD 1 67 VAL HB 5.930 . 5.930 2.377 1.935 2.845 . 0 0 "[ . 1 . 2]" 1
710 1 64 PRO QD 1 67 VAL MG1 6.390 . 6.390 2.866 2.419 3.348 . 0 0 "[ . 1 . 2]" 1
711 1 64 PRO QD 1 67 VAL MG2 5.850 . 5.850 2.223 1.882 2.836 . 0 0 "[ . 1 . 2]" 1
712 1 64 PRO QD 1 68 LEU MD2 7.410 . 7.410 4.301 3.890 6.250 . 0 0 "[ . 1 . 2]" 1
713 1 64 PRO HD2 1 67 VAL MG1 6.520 . 6.520 2.923 2.450 3.507 . 0 0 "[ . 1 . 2]" 1
714 1 64 PRO HD2 1 67 VAL MG2 6.300 . 6.300 2.248 1.895 2.901 . 0 0 "[ . 1 . 2]" 1
715 1 64 PRO HD3 1 67 VAL MG1 6.520 . 6.520 4.192 3.724 4.704 . 0 0 "[ . 1 . 2]" 1
716 1 64 PRO HD3 1 67 VAL MG2 6.300 . 6.300 3.565 3.081 4.000 . 0 0 "[ . 1 . 2]" 1
717 1 64 PRO QG 1 67 VAL H 6.390 . 6.390 3.982 2.727 4.526 . 0 0 "[ . 1 . 2]" 1
718 1 64 PRO QG 1 67 VAL MG2 5.520 . 5.520 2.392 1.840 2.976 . 0 0 "[ . 1 . 2]" 1
719 1 64 PRO HG2 1 65 GLN H 5.500 . 5.500 5.113 4.431 5.404 . 0 0 "[ . 1 . 2]" 1
720 1 64 PRO HG2 1 67 VAL MG2 5.710 . 5.710 2.424 1.860 3.048 . 0 0 "[ . 1 . 2]" 1
721 1 64 PRO HG3 1 65 GLN H 5.500 . 5.500 5.010 4.862 5.309 . 0 0 "[ . 1 . 2]" 1
722 1 64 PRO HG3 1 67 VAL MG2 5.710 . 5.710 3.686 2.928 4.163 . 0 0 "[ . 1 . 2]" 1
723 1 65 GLN H 1 65 GLN HB2 3.790 . 3.790 2.490 2.360 2.638 . 0 0 "[ . 1 . 2]" 1
724 1 65 GLN H 1 65 GLN HB3 3.790 . 3.790 3.292 2.440 3.614 . 0 0 "[ . 1 . 2]" 1
725 1 65 GLN H 1 65 GLN HG2 5.500 . 5.500 3.771 2.123 4.518 . 0 0 "[ . 1 . 2]" 1
726 1 65 GLN H 1 65 GLN HG3 5.500 . 5.500 3.284 2.149 4.466 . 0 0 "[ . 1 . 2]" 1
727 1 65 GLN H 1 66 PRO HD2 5.100 . 5.100 2.515 2.090 2.906 . 0 0 "[ . 1 . 2]" 1
728 1 65 GLN H 1 66 PRO HD3 5.100 . 5.100 3.088 2.760 3.501 . 0 0 "[ . 1 . 2]" 1
729 1 65 GLN HA 1 67 VAL H 5.500 . 5.500 4.171 3.795 4.412 . 0 0 "[ . 1 . 2]" 1
730 1 65 GLN HA 1 68 LEU H 4.040 . 4.040 3.230 2.956 3.548 . 0 0 "[ . 1 . 2]" 1
731 1 65 GLN HA 1 68 LEU HB2 3.390 . 3.390 2.566 2.175 3.158 . 0 0 "[ . 1 . 2]" 1
732 1 65 GLN HA 1 68 LEU HB3 4.760 . 4.760 3.903 2.233 4.458 . 0 0 "[ . 1 . 2]" 1
733 1 65 GLN HA 1 68 LEU MD1 6.210 . 6.210 2.156 1.795 3.382 . 0 0 "[ . 1 . 2]" 1
734 1 65 GLN HA 1 69 ALA H 4.380 . 4.380 3.827 3.512 4.395 0.015 14 0 "[ . 1 . 2]" 1
735 1 65 GLN QB 1 67 VAL H 6.380 . 6.380 4.579 4.367 4.822 . 0 0 "[ . 1 . 2]" 1
736 1 65 GLN HB2 1 66 PRO HD2 5.500 . 5.500 3.299 2.532 4.411 . 0 0 "[ . 1 . 2]" 1
737 1 65 GLN HB2 1 66 PRO HD3 5.500 . 5.500 2.491 1.708 3.988 . 0 0 "[ . 1 . 2]" 1
738 1 65 GLN HB3 1 66 PRO HD2 5.500 . 5.500 3.835 2.606 4.488 . 0 0 "[ . 1 . 2]" 1
739 1 65 GLN HB3 1 66 PRO HD3 5.500 . 5.500 2.915 1.630 3.480 . 0 0 "[ . 1 . 2]" 1
740 1 65 GLN QG 1 66 PRO QD 7.270 . 7.270 3.555 3.122 3.937 . 0 0 "[ . 1 . 2]" 1
741 1 65 GLN QG 1 67 VAL H 6.380 . 6.380 5.522 4.929 6.059 . 0 0 "[ . 1 . 2]" 1
742 1 65 GLN QG 1 69 ALA MB 6.380 . 6.380 4.781 3.165 5.709 . 0 0 "[ . 1 . 2]" 1
743 1 65 GLN HG2 1 69 ALA MB 6.520 . 6.520 5.255 3.301 6.552 0.032 4 0 "[ . 1 . 2]" 1
744 1 65 GLN HG3 1 69 ALA MB 6.520 . 6.520 5.614 3.667 6.587 0.067 11 0 "[ . 1 . 2]" 1
745 1 66 PRO HA 1 69 ALA H 4.630 . 4.630 3.769 3.499 4.360 . 0 0 "[ . 1 . 2]" 1
746 1 66 PRO HA 1 69 ALA MB 5.430 . 5.430 2.907 2.494 3.709 . 0 0 "[ . 1 . 2]" 1
747 1 66 PRO QB 1 67 VAL H 4.420 . 4.420 2.836 2.469 3.341 . 0 0 "[ . 1 . 2]" 1
748 1 66 PRO QB 1 67 VAL HA 5.920 . 5.920 3.916 3.814 4.132 . 0 0 "[ . 1 . 2]" 1
749 1 66 PRO QB 1 67 VAL MG2 5.760 . 5.760 3.129 2.779 3.500 . 0 0 "[ . 1 . 2]" 1
750 1 66 PRO HB2 1 67 VAL H 4.630 . 4.630 2.901 2.498 3.480 . 0 0 "[ . 1 . 2]" 1
751 1 66 PRO HB3 1 67 VAL H 4.630 . 4.630 4.072 3.882 4.311 . 0 0 "[ . 1 . 2]" 1
752 1 66 PRO QD 1 67 VAL H 5.090 . 5.090 2.851 2.559 3.089 . 0 0 "[ . 1 . 2]" 1
753 1 66 PRO QD 1 67 VAL MG2 7.410 . 7.410 3.742 3.387 4.120 . 0 0 "[ . 1 . 2]" 1
754 1 66 PRO HD2 1 67 VAL H 5.500 . 5.500 2.918 2.596 3.192 . 0 0 "[ . 1 . 2]" 1
755 1 66 PRO HD3 1 67 VAL H 5.500 . 5.500 4.037 3.871 4.136 . 0 0 "[ . 1 . 2]" 1
756 1 66 PRO QG 1 67 VAL H 5.110 . 5.110 3.316 2.326 4.081 . 0 0 "[ . 1 . 2]" 1
757 1 66 PRO QG 1 67 VAL MG2 7.410 . 7.410 3.581 2.594 4.342 . 0 0 "[ . 1 . 2]" 1
758 1 66 PRO HG2 1 67 VAL H 5.500 . 5.500 3.495 2.344 4.454 . 0 0 "[ . 1 . 2]" 1
759 1 66 PRO HG3 1 67 VAL H 5.500 . 5.500 4.377 3.894 4.738 . 0 0 "[ . 1 . 2]" 1
760 1 67 VAL H 1 67 VAL HB 3.020 . 3.020 2.460 2.371 2.581 . 0 0 "[ . 1 . 2]" 1
761 1 67 VAL H 1 67 VAL MG2 4.160 . 4.160 2.248 2.093 2.402 . 0 0 "[ . 1 . 2]" 1
762 1 67 VAL H 1 68 LEU H 3.080 . 3.080 2.443 2.122 2.678 . 0 0 "[ . 1 . 2]" 1
763 1 67 VAL H 1 69 ALA H 4.450 . 4.450 4.111 3.871 4.341 . 0 0 "[ . 1 . 2]" 1
764 1 67 VAL H 1 70 GLN QG 6.380 . 6.380 5.961 5.191 6.466 0.086 2 0 "[ . 1 . 2]" 1
765 1 67 VAL HA 1 69 ALA MB 6.520 . 6.520 5.005 4.716 5.311 . 0 0 "[ . 1 . 2]" 1
766 1 67 VAL HA 1 70 GLN H 3.760 . 3.760 3.447 3.227 3.708 . 0 0 "[ . 1 . 2]" 1
767 1 67 VAL HA 1 70 GLN HB2 4.380 . 4.380 2.793 2.139 3.463 . 0 0 "[ . 1 . 2]" 1
768 1 67 VAL HA 1 70 GLN QB 4.060 . 4.060 2.530 2.090 2.911 . 0 0 "[ . 1 . 2]" 1
769 1 67 VAL HA 1 70 GLN HB3 4.380 . 4.380 3.214 2.453 4.441 0.061 10 0 "[ . 1 . 2]" 1
770 1 67 VAL HA 1 70 GLN HG2 5.500 . 5.500 4.649 3.716 5.500 0.000 15 0 "[ . 1 . 2]" 1
771 1 67 VAL HA 1 70 GLN HG3 5.500 . 5.500 4.102 3.406 4.958 . 0 0 "[ . 1 . 2]" 1
772 1 67 VAL HA 1 98 LYS HD2 5.500 . 5.500 5.090 3.891 5.561 0.061 2 0 "[ . 1 . 2]" 1
773 1 67 VAL HA 1 98 LYS HD3 5.500 . 5.500 4.630 3.647 5.621 0.121 15 0 "[ . 1 . 2]" 1
774 1 67 VAL HB 1 68 LEU H 3.480 . 3.480 2.653 2.465 2.816 . 0 0 "[ . 1 . 2]" 1
775 1 67 VAL MG1 1 68 LEU H 6.210 . 6.210 3.435 3.173 3.698 . 0 0 "[ . 1 . 2]" 1
776 1 67 VAL MG1 1 70 GLN H 6.520 . 6.520 4.597 4.316 4.848 . 0 0 "[ . 1 . 2]" 1
777 1 67 VAL MG1 1 70 GLN QG 7.400 . 7.400 4.569 3.890 5.550 . 0 0 "[ . 1 . 2]" 1
778 1 67 VAL MG1 1 71 ILE MD 7.110 . 7.110 2.665 1.929 3.347 . 0 0 "[ . 1 . 2]" 1
779 1 67 VAL MG1 1 98 LYS QB 6.810 . 6.810 2.948 2.345 3.686 . 0 0 "[ . 1 . 2]" 1
780 1 67 VAL MG1 1 98 LYS HD2 6.520 . 6.520 3.068 1.712 4.083 . 0 0 "[ . 1 . 2]" 1
781 1 67 VAL MG1 1 98 LYS QD 6.110 . 6.110 2.140 1.605 3.178 . 0 0 "[ . 1 . 2]" 1
782 1 67 VAL MG1 1 98 LYS HD3 6.520 . 6.520 2.313 1.610 3.501 . 0 0 "[ . 1 . 2]" 1
783 1 67 VAL MG1 1 98 LYS HE2 5.650 . 5.650 2.982 1.468 4.363 . 0 0 "[ . 1 . 2]" 1
784 1 67 VAL MG1 1 98 LYS QE 5.490 . 5.490 2.490 1.465 3.862 . 0 0 "[ . 1 . 2]" 1
785 1 67 VAL MG1 1 98 LYS HE3 5.650 . 5.650 3.035 1.675 4.403 . 0 0 "[ . 1 . 2]" 1
786 1 67 VAL MG1 1 98 LYS HG2 6.520 . 6.520 3.634 1.902 4.557 . 0 0 "[ . 1 . 2]" 1
787 1 67 VAL MG1 1 98 LYS HG3 6.520 . 6.520 3.788 2.431 4.781 . 0 0 "[ . 1 . 2]" 1
788 1 67 VAL MG2 1 68 LEU H 6.120 . 6.120 3.840 3.754 3.965 . 0 0 "[ . 1 . 2]" 1
789 1 67 VAL MG2 1 70 GLN H 6.520 . 6.520 5.186 5.002 5.412 . 0 0 "[ . 1 . 2]" 1
790 1 67 VAL MG2 1 70 GLN QG 7.400 . 7.400 4.756 4.136 5.589 . 0 0 "[ . 1 . 2]" 1
791 1 67 VAL MG2 1 71 ILE MD 7.540 . 7.540 4.929 4.236 5.592 . 0 0 "[ . 1 . 2]" 1
792 1 67 VAL MG2 1 98 LYS QD 7.400 . 7.400 4.042 3.374 5.091 . 0 0 "[ . 1 . 2]" 1
793 1 67 VAL MG2 1 98 LYS HE2 6.300 . 6.300 4.510 2.734 6.206 . 0 0 "[ . 1 . 2]" 1
794 1 67 VAL MG2 1 98 LYS QE 5.950 . 5.950 3.871 2.693 4.756 . 0 0 "[ . 1 . 2]" 1
795 1 67 VAL MG2 1 98 LYS HE3 6.300 . 6.300 4.464 3.144 5.487 . 0 0 "[ . 1 . 2]" 1
796 1 68 LEU H 1 68 LEU HB2 3.550 . 3.550 2.553 2.431 2.703 . 0 0 "[ . 1 . 2]" 1
797 1 68 LEU H 1 68 LEU HB3 3.980 . 3.980 3.518 2.419 3.592 . 0 0 "[ . 1 . 2]" 1
798 1 68 LEU H 1 68 LEU MD1 5.430 . 5.430 3.654 3.533 4.098 . 0 0 "[ . 1 . 2]" 1
799 1 68 LEU H 1 68 LEU HG 5.310 . 5.310 2.259 2.049 4.529 . 0 0 "[ . 1 . 2]" 1
800 1 68 LEU H 1 69 ALA H 3.270 . 3.270 2.718 2.608 2.804 . 0 0 "[ . 1 . 2]" 1
801 1 68 LEU H 1 71 ILE H 5.500 . 5.500 4.815 4.692 4.979 . 0 0 "[ . 1 . 2]" 1
802 1 68 LEU HA 1 68 LEU MD2 4.570 . 4.570 2.048 1.925 2.180 . 0 0 "[ . 1 . 2]" 1
803 1 68 LEU HA 1 71 ILE H 3.480 . 3.480 3.477 3.391 3.555 0.075 8 0 "[ . 1 . 2]" 1
804 1 68 LEU HA 1 71 ILE HB 3.360 . 3.360 3.057 2.759 3.347 . 0 0 "[ . 1 . 2]" 1
805 1 68 LEU HA 1 71 ILE MD 5.130 . 5.130 2.569 1.861 3.139 . 0 0 "[ . 1 . 2]" 1
806 1 68 LEU HA 1 71 ILE MG 6.520 . 6.520 4.375 4.070 4.624 . 0 0 "[ . 1 . 2]" 1
807 1 68 LEU HB2 1 69 ALA H 3.790 . 3.790 2.363 2.148 3.804 0.014 1 0 "[ . 1 . 2]" 1
808 1 68 LEU HB3 1 69 ALA H 3.390 . 3.390 3.404 2.437 3.507 0.117 14 0 "[ . 1 . 2]" 1
809 1 68 LEU HB3 1 71 ILE HB 5.500 . 5.500 4.731 4.507 5.542 0.042 1 0 "[ . 1 . 2]" 1
810 1 68 LEU HB3 1 71 ILE MD 6.520 . 6.520 4.550 3.913 5.389 . 0 0 "[ . 1 . 2]" 1
811 1 68 LEU MD1 1 69 ALA H 6.520 . 6.520 4.200 2.887 4.412 . 0 0 "[ . 1 . 2]" 1
812 1 68 LEU MD2 1 69 ALA H 6.520 . 6.520 4.448 4.048 4.585 . 0 0 "[ . 1 . 2]" 1
813 1 68 LEU MD2 1 70 GLN H 6.520 . 6.520 5.469 5.089 5.615 . 0 0 "[ . 1 . 2]" 1
814 1 68 LEU MD2 1 71 ILE HB 6.240 . 6.240 4.198 3.064 4.719 . 0 0 "[ . 1 . 2]" 1
815 1 68 LEU MD2 1 71 ILE MD 7.540 . 7.540 2.925 2.351 3.670 . 0 0 "[ . 1 . 2]" 1
816 1 68 LEU HG 1 69 ALA H 4.790 . 4.790 4.073 3.776 4.718 . 0 0 "[ . 1 . 2]" 1
817 1 68 LEU HG 1 71 ILE MD 6.520 . 6.520 4.955 4.269 5.659 . 0 0 "[ . 1 . 2]" 1
818 1 69 ALA H 1 70 GLN H 3.140 . 3.140 2.687 2.586 2.809 . 0 0 "[ . 1 . 2]" 1
819 1 69 ALA H 1 71 ILE H 4.230 . 4.230 4.252 4.165 4.326 0.096 17 0 "[ . 1 . 2]" 1
820 1 69 ALA HA 1 71 ILE H 4.420 . 4.420 4.340 4.131 4.438 0.018 19 0 "[ . 1 . 2]" 1
821 1 69 ALA HA 1 72 TRP H 3.730 . 3.730 3.377 3.112 3.629 . 0 0 "[ . 1 . 2]" 1
822 1 69 ALA HA 1 72 TRP HB2 4.480 . 4.480 3.556 2.917 4.184 . 0 0 "[ . 1 . 2]" 1
823 1 69 ALA HA 1 72 TRP HB3 4.110 . 4.110 2.641 2.131 3.207 . 0 0 "[ . 1 . 2]" 1
824 1 69 ALA HA 1 73 ALA H 4.600 . 4.600 3.810 3.505 4.248 . 0 0 "[ . 1 . 2]" 1
825 1 69 ALA MB 1 70 GLN H 4.190 . 4.190 2.682 2.501 2.803 . 0 0 "[ . 1 . 2]" 1
826 1 69 ALA MB 1 71 ILE H 6.520 . 6.520 4.604 4.485 4.734 . 0 0 "[ . 1 . 2]" 1
827 1 69 ALA MB 1 72 TRP H 6.520 . 6.520 4.606 4.437 4.807 . 0 0 "[ . 1 . 2]" 1
828 1 69 ALA MB 1 72 TRP HB3 6.520 . 6.520 4.011 3.584 4.451 . 0 0 "[ . 1 . 2]" 1
829 1 70 GLN H 1 70 GLN HB2 3.240 . 3.240 2.220 2.055 2.584 . 0 0 "[ . 1 . 2]" 1
830 1 70 GLN H 1 70 GLN QB 3.020 . 3.020 2.118 2.037 2.199 . 0 0 "[ . 1 . 2]" 1
831 1 70 GLN H 1 70 GLN HB3 3.240 . 3.240 2.884 2.369 3.422 0.182 6 0 "[ . 1 . 2]" 1
832 1 70 GLN H 1 70 GLN HG2 4.320 . 4.320 3.963 2.960 4.520 0.200 4 0 "[ . 1 . 2]" 1
833 1 70 GLN H 1 70 GLN HG3 4.320 . 4.320 4.309 3.904 4.451 0.131 14 0 "[ . 1 . 2]" 1
834 1 70 GLN H 1 71 ILE H 3.140 . 3.140 2.642 2.526 2.779 . 0 0 "[ . 1 . 2]" 1
835 1 70 GLN H 1 71 ILE MD 6.520 . 6.520 5.035 3.859 5.434 . 0 0 "[ . 1 . 2]" 1
836 1 70 GLN H 1 71 ILE QG 6.380 . 6.380 4.572 4.200 5.644 . 0 0 "[ . 1 . 2]" 1
837 1 70 GLN H 1 72 TRP H 4.970 . 4.970 4.124 3.944 4.409 . 0 0 "[ . 1 . 2]" 1
838 1 70 GLN H 1 74 LEU MD1 6.520 . 6.520 6.144 4.946 6.573 0.053 13 0 "[ . 1 . 2]" 1
839 1 70 GLN HA 1 73 ALA H 3.610 . 3.610 3.595 3.071 3.733 0.123 12 0 "[ . 1 . 2]" 1
840 1 70 GLN HA 1 73 ALA MB 4.440 . 4.440 2.793 2.112 3.103 . 0 0 "[ . 1 . 2]" 1
841 1 70 GLN HA 1 74 LEU MD1 6.180 . 6.180 4.602 3.045 5.135 . 0 0 "[ . 1 . 2]" 1
842 1 70 GLN QB 1 71 ILE H 3.890 . 3.890 2.587 2.398 2.754 . 0 0 "[ . 1 . 2]" 1
843 1 70 GLN QB 1 71 ILE QG 7.260 . 7.260 3.335 2.966 4.353 . 0 0 "[ . 1 . 2]" 1
844 1 70 GLN QB 1 73 ALA H 6.380 . 6.380 5.049 4.637 5.217 . 0 0 "[ . 1 . 2]" 1
845 1 70 GLN QB 1 74 LEU MD1 5.900 . 5.900 4.120 2.610 4.795 . 0 0 "[ . 1 . 2]" 1
846 1 70 GLN HB2 1 71 ILE H 4.230 . 4.230 3.474 2.889 3.972 . 0 0 "[ . 1 . 2]" 1
847 1 70 GLN HB2 1 74 LEU MD1 6.050 . 6.050 5.372 4.067 5.940 . 0 0 "[ . 1 . 2]" 1
848 1 70 GLN HB3 1 71 ILE H 4.230 . 4.230 2.756 2.441 3.302 . 0 0 "[ . 1 . 2]" 1
849 1 70 GLN HB3 1 74 LEU MD1 6.050 . 6.050 4.301 2.641 5.074 . 0 0 "[ . 1 . 2]" 1
850 1 70 GLN QE 1 73 ALA H 6.360 . 6.360 5.045 4.242 6.398 0.038 2 0 "[ . 1 . 2]" 1
851 1 70 GLN QE 1 73 ALA MB 7.380 . 7.380 3.589 2.171 4.704 . 0 0 "[ . 1 . 2]" 1
852 1 70 GLN QE 1 74 LEU MD2 7.380 . 7.380 3.667 2.434 5.021 . 0 0 "[ . 1 . 2]" 1
853 1 70 GLN HE21 1 74 LEU MD1 6.520 . 6.520 3.092 1.684 5.657 . 0 0 "[ . 1 . 2]" 1
854 1 70 GLN HE21 1 74 LEU HG 5.500 . 5.500 3.406 1.862 5.595 0.095 19 0 "[ . 1 . 2]" 1
855 1 70 GLN HE22 1 74 LEU MD1 6.520 . 6.520 2.814 1.707 5.185 . 0 0 "[ . 1 . 2]" 1
856 1 70 GLN HE22 1 74 LEU HG 5.500 . 5.500 3.345 1.867 5.286 . 0 0 "[ . 1 . 2]" 1
857 1 70 GLN QG 1 73 ALA H 6.380 . 6.380 5.537 4.634 5.896 . 0 0 "[ . 1 . 2]" 1
858 1 70 GLN QG 1 73 ALA MB 6.320 . 6.320 4.298 3.243 4.781 . 0 0 "[ . 1 . 2]" 1
859 1 70 GLN QG 1 74 LEU MD1 6.110 . 6.110 3.952 2.459 5.228 . 0 0 "[ . 1 . 2]" 1
860 1 70 GLN QG 1 74 LEU HG 6.380 . 6.380 4.821 3.344 6.356 . 0 0 "[ . 1 . 2]" 1
861 1 70 GLN HG2 1 71 ILE H 5.500 . 5.500 4.796 4.354 5.123 . 0 0 "[ . 1 . 2]" 1
862 1 70 GLN HG2 1 73 ALA MB 6.520 . 6.520 4.607 3.370 5.927 . 0 0 "[ . 1 . 2]" 1
863 1 70 GLN HG2 1 74 LEU MD1 6.330 . 6.330 4.564 2.840 6.261 . 0 0 "[ . 1 . 2]" 1
864 1 70 GLN HG3 1 71 ILE H 5.500 . 5.500 4.877 3.546 5.208 . 0 0 "[ . 1 . 2]" 1
865 1 70 GLN HG3 1 73 ALA MB 6.520 . 6.520 5.480 4.223 6.041 . 0 0 "[ . 1 . 2]" 1
866 1 70 GLN HG3 1 74 LEU MD1 6.330 . 6.330 4.565 2.496 5.602 . 0 0 "[ . 1 . 2]" 1
867 1 71 ILE H 1 71 ILE HB 3.520 . 3.520 2.423 2.349 2.510 . 0 0 "[ . 1 . 2]" 1
868 1 71 ILE H 1 71 ILE MD 5.000 . 5.000 3.363 2.163 3.699 . 0 0 "[ . 1 . 2]" 1
869 1 71 ILE H 1 71 ILE HG12 5.500 . 5.500 3.769 3.520 4.176 . 0 0 "[ . 1 . 2]" 1
870 1 71 ILE H 1 71 ILE HG13 5.500 . 5.500 2.477 2.189 3.616 . 0 0 "[ . 1 . 2]" 1
871 1 71 ILE H 1 72 TRP H 3.300 . 3.300 2.628 2.508 2.864 . 0 0 "[ . 1 . 2]" 1
872 1 71 ILE H 1 73 ALA MB 6.520 . 6.520 4.901 4.644 5.076 . 0 0 "[ . 1 . 2]" 1
873 1 71 ILE HA 1 74 LEU H 3.890 . 3.890 3.656 3.284 3.844 . 0 0 "[ . 1 . 2]" 1
874 1 71 ILE HA 1 74 LEU HB2 4.910 . 4.910 2.825 2.211 3.298 . 0 0 "[ . 1 . 2]" 1
875 1 71 ILE HA 1 74 LEU HB3 5.500 . 5.500 4.160 3.500 4.858 . 0 0 "[ . 1 . 2]" 1
876 1 71 ILE HA 1 74 LEU MD2 6.520 . 6.520 5.124 4.160 5.729 . 0 0 "[ . 1 . 2]" 1
877 1 71 ILE HA 1 75 ALA H 4.350 . 4.350 4.300 4.027 4.441 0.091 13 0 "[ . 1 . 2]" 1
878 1 71 ILE HA 1 75 ALA MB 5.930 . 5.930 4.487 4.118 4.761 . 0 0 "[ . 1 . 2]" 1
879 1 71 ILE HA 1 94 LEU QB 6.380 . 6.380 3.720 3.242 4.560 . 0 0 "[ . 1 . 2]" 1
880 1 71 ILE HA 1 94 LEU MD1 6.520 . 6.520 4.752 3.898 5.998 . 0 0 "[ . 1 . 2]" 1
881 1 71 ILE HA 1 94 LEU MD2 6.520 . 6.520 2.045 1.561 3.305 . 0 0 "[ . 1 . 2]" 1
882 1 71 ILE HB 1 72 TRP H 3.330 . 3.330 2.584 2.408 2.888 . 0 0 "[ . 1 . 2]" 1
883 1 71 ILE HB 1 73 ALA H 5.500 . 5.500 5.085 4.946 5.367 . 0 0 "[ . 1 . 2]" 1
884 1 71 ILE HB 1 94 LEU QD 8.070 . 8.070 4.063 3.695 4.992 . 0 0 "[ . 1 . 2]" 1
885 1 71 ILE MD 1 72 TRP H 6.520 . 6.520 4.438 4.132 4.689 . 0 0 "[ . 1 . 2]" 1
886 1 71 ILE MD 1 94 LEU QB 7.400 . 7.400 3.242 2.397 4.790 . 0 0 "[ . 1 . 2]" 1
887 1 71 ILE MD 1 94 LEU QD 8.160 . 8.160 3.640 3.154 4.160 . 0 0 "[ . 1 . 2]" 1
888 1 71 ILE MD 1 95 ILE H 6.430 . 6.430 3.729 3.074 5.130 . 0 0 "[ . 1 . 2]" 1
889 1 71 ILE MD 1 95 ILE HA 5.130 . 5.130 2.439 1.979 3.361 . 0 0 "[ . 1 . 2]" 1
890 1 71 ILE MD 1 95 ILE HB 5.500 . 5.500 4.430 3.938 5.584 0.084 17 0 "[ . 1 . 2]" 1
891 1 71 ILE MD 1 98 LYS H 6.520 . 6.520 4.425 3.647 5.156 . 0 0 "[ . 1 . 2]" 1
892 1 71 ILE MD 1 98 LYS HB2 6.520 . 6.520 2.823 1.838 3.367 . 0 0 "[ . 1 . 2]" 1
893 1 71 ILE MD 1 98 LYS HB3 6.520 . 6.520 3.356 2.458 4.202 . 0 0 "[ . 1 . 2]" 1
894 1 71 ILE MD 1 98 LYS HD2 6.520 . 6.520 3.031 1.699 4.128 . 0 0 "[ . 1 . 2]" 1
895 1 71 ILE MD 1 98 LYS HD3 6.520 . 6.520 2.905 1.801 4.096 . 0 0 "[ . 1 . 2]" 1
896 1 71 ILE QG 1 74 LEU HB2 6.380 . 6.380 4.696 3.918 5.072 . 0 0 "[ . 1 . 2]" 1
897 1 71 ILE QG 1 95 ILE HB 6.380 . 6.380 5.844 4.705 6.406 0.026 9 0 "[ . 1 . 2]" 1
898 1 71 ILE QG 1 95 ILE MD 5.790 . 5.790 4.043 1.938 5.310 . 0 0 "[ . 1 . 2]" 1
899 1 71 ILE QG 1 98 LYS QB 6.320 . 6.320 3.620 2.944 4.287 . 0 0 "[ . 1 . 2]" 1
900 1 71 ILE HG12 1 72 TRP H 5.500 . 5.500 5.044 4.919 5.317 . 0 0 "[ . 1 . 2]" 1
901 1 71 ILE HG12 1 94 LEU HB2 5.500 . 5.500 4.009 3.825 4.958 . 0 0 "[ . 1 . 2]" 1
902 1 71 ILE HG12 1 94 LEU HB3 5.500 . 5.500 2.475 2.162 3.648 . 0 0 "[ . 1 . 2]" 1
903 1 71 ILE HG12 1 95 ILE HA 5.500 . 5.500 3.836 2.620 4.510 . 0 0 "[ . 1 . 2]" 1
904 1 71 ILE HG12 1 98 LYS HB2 7.260 . 7.260 4.172 3.216 5.030 . 0 0 "[ . 1 . 2]" 1
905 1 71 ILE HG12 1 98 LYS HB3 7.260 . 7.260 4.964 3.974 5.827 . 0 0 "[ . 1 . 2]" 1
906 1 71 ILE HG13 1 72 TRP H 5.500 . 5.500 4.415 4.181 5.013 . 0 0 "[ . 1 . 2]" 1
907 1 71 ILE HG13 1 94 LEU HB2 5.500 . 5.500 5.546 4.694 5.651 0.151 2 0 "[ . 1 . 2]" 1
908 1 71 ILE HG13 1 94 LEU HB3 5.500 . 5.500 4.066 3.079 4.727 . 0 0 "[ . 1 . 2]" 1
909 1 71 ILE HG13 1 95 ILE HA 5.500 . 5.500 4.786 4.199 5.198 . 0 0 "[ . 1 . 2]" 1
910 1 71 ILE HG13 1 98 LYS HB2 7.260 . 7.260 4.573 3.826 5.286 . 0 0 "[ . 1 . 2]" 1
911 1 71 ILE HG13 1 98 LYS HB3 7.260 . 7.260 4.959 4.206 5.743 . 0 0 "[ . 1 . 2]" 1
912 1 71 ILE MG 1 72 TRP H 6.520 . 6.520 3.169 2.890 3.369 . 0 0 "[ . 1 . 2]" 1
913 1 71 ILE MG 1 72 TRP HA 6.520 . 6.520 3.146 2.934 3.355 . 0 0 "[ . 1 . 2]" 1
914 1 71 ILE MG 1 73 ALA H 6.520 . 6.520 4.931 4.792 5.093 . 0 0 "[ . 1 . 2]" 1
915 1 71 ILE MG 1 74 LEU H 6.520 . 6.520 4.579 4.314 4.970 . 0 0 "[ . 1 . 2]" 1
916 1 71 ILE MG 1 75 ALA H 6.520 . 6.520 4.025 3.755 4.301 . 0 0 "[ . 1 . 2]" 1
917 1 71 ILE MG 1 75 ALA MB 7.540 . 7.540 2.946 2.568 3.297 . 0 0 "[ . 1 . 2]" 1
918 1 71 ILE MG 1 83 MET ME 7.540 . 7.540 3.837 3.028 5.082 . 0 0 "[ . 1 . 2]" 1
919 1 71 ILE MG 1 94 LEU HB2 5.900 . 5.900 2.981 2.430 4.346 . 0 0 "[ . 1 . 2]" 1
920 1 71 ILE MG 1 94 LEU QB 5.540 . 5.540 2.257 1.771 3.183 . 0 0 "[ . 1 . 2]" 1
921 1 71 ILE MG 1 94 LEU HB3 5.900 . 5.900 2.350 1.798 3.274 . 0 0 "[ . 1 . 2]" 1
922 1 71 ILE MG 1 94 LEU QD 9.090 . 9.090 2.330 1.739 2.946 . 0 0 "[ . 1 . 2]" 1
923 1 71 ILE MG 1 94 LEU HG 5.400 . 5.400 4.033 3.471 4.643 . 0 0 "[ . 1 . 2]" 1
924 1 71 ILE MG 1 95 ILE H 6.120 . 6.120 3.569 3.098 4.233 . 0 0 "[ . 1 . 2]" 1
925 1 72 TRP H 1 72 TRP HB2 3.270 . 3.270 2.528 2.376 2.652 . 0 0 "[ . 1 . 2]" 1
926 1 72 TRP H 1 72 TRP HB3 3.300 . 3.300 2.517 2.400 2.657 . 0 0 "[ . 1 . 2]" 1
927 1 72 TRP H 1 72 TRP HD1 5.500 . 5.500 4.813 4.700 4.912 . 0 0 "[ . 1 . 2]" 1
928 1 72 TRP H 1 73 ALA H 3.110 . 3.110 2.698 2.639 2.849 . 0 0 "[ . 1 . 2]" 1
929 1 72 TRP H 1 73 ALA MB 6.520 . 6.520 4.380 4.313 4.501 . 0 0 "[ . 1 . 2]" 1
930 1 72 TRP H 1 74 LEU H 5.130 . 5.130 4.011 3.810 4.330 . 0 0 "[ . 1 . 2]" 1
931 1 72 TRP H 1 75 ALA H 5.500 . 5.500 4.648 4.546 4.796 . 0 0 "[ . 1 . 2]" 1
932 1 72 TRP H 1 83 MET ME 6.520 . 6.520 4.977 4.273 5.904 . 0 0 "[ . 1 . 2]" 1
933 1 72 TRP HA 1 75 ALA H 4.350 . 4.350 3.238 3.035 3.510 . 0 0 "[ . 1 . 2]" 1
934 1 72 TRP HA 1 75 ALA MB 6.150 . 6.150 2.562 2.159 3.143 . 0 0 "[ . 1 . 2]" 1
935 1 72 TRP HA 1 76 ASP H 4.510 . 4.510 3.957 3.428 4.393 . 0 0 "[ . 1 . 2]" 1
936 1 72 TRP HA 1 83 MET ME 5.900 . 5.900 2.987 2.246 3.795 . 0 0 "[ . 1 . 2]" 1
937 1 72 TRP HB2 1 73 ALA H 3.890 . 3.890 3.871 3.781 3.928 0.038 19 0 "[ . 1 . 2]" 1
938 1 72 TRP HB3 1 73 ALA H 3.020 . 3.020 2.574 2.343 2.699 . 0 0 "[ . 1 . 2]" 1
939 1 72 TRP HB3 1 73 ALA MB 6.520 . 6.520 3.927 3.729 4.037 . 0 0 "[ . 1 . 2]" 1
940 1 72 TRP HB3 1 83 MET ME 6.520 . 6.520 4.754 4.074 5.287 . 0 0 "[ . 1 . 2]" 1
941 1 72 TRP HD1 1 73 ALA H 5.500 . 5.500 4.989 4.722 5.150 . 0 0 "[ . 1 . 2]" 1
942 1 72 TRP HD1 1 76 ASP QB 6.380 . 6.380 4.047 2.205 5.252 . 0 0 "[ . 1 . 2]" 1
943 1 72 TRP HD1 1 83 MET ME 5.770 . 5.770 2.074 1.593 2.973 . 0 0 "[ . 1 . 2]" 1
944 1 72 TRP HE1 1 79 ASN HA 5.500 . 5.500 5.454 4.737 5.628 0.128 2 0 "[ . 1 . 2]" 1
945 1 72 TRP HE1 1 81 GLY HA2 5.500 . 5.500 3.364 2.387 4.302 . 0 0 "[ . 1 . 2]" 1
946 1 72 TRP HE1 1 81 GLY HA3 5.500 . 5.500 4.934 4.090 5.577 0.077 11 0 "[ . 1 . 2]" 1
947 1 72 TRP HE1 1 83 MET ME 6.520 . 6.520 3.021 1.844 3.740 . 0 0 "[ . 1 . 2]" 1
948 1 72 TRP HE3 1 73 ALA HA 5.190 . 5.190 5.289 5.176 5.433 0.243 2 0 "[ . 1 . 2]" 1
949 1 72 TRP HZ2 1 76 ASP QB 6.380 . 6.380 5.671 4.212 6.483 0.103 3 0 "[ . 1 . 2]" 1
950 1 72 TRP HZ2 1 81 GLY H 5.500 . 5.500 3.836 3.138 4.345 . 0 0 "[ . 1 . 2]" 1
951 1 72 TRP HZ2 1 81 GLY HA2 4.880 . 4.880 1.845 1.349 2.570 . 0 0 "[ . 1 . 2]" 1
952 1 72 TRP HZ2 1 81 GLY HA3 4.110 . 4.110 3.065 2.295 3.822 . 0 0 "[ . 1 . 2]" 1
953 1 72 TRP HZ2 1 82 ARG H 5.500 . 5.500 4.114 3.370 5.318 . 0 0 "[ . 1 . 2]" 1
954 1 72 TRP HZ2 1 83 MET ME 6.520 . 6.520 5.221 3.983 5.880 . 0 0 "[ . 1 . 2]" 1
955 1 72 TRP HZ3 1 73 ALA MB 6.520 . 6.520 6.011 5.190 6.470 . 0 0 "[ . 1 . 2]" 1
956 1 73 ALA H 1 73 ALA MB 3.600 . 3.600 2.241 2.224 2.252 . 0 0 "[ . 1 . 2]" 1
957 1 73 ALA H 1 74 LEU H 3.270 . 3.270 2.616 2.544 2.775 . 0 0 "[ . 1 . 2]" 1
958 1 73 ALA H 1 74 LEU MD1 6.520 . 6.520 5.401 3.942 6.020 . 0 0 "[ . 1 . 2]" 1
959 1 73 ALA H 1 83 MET ME 6.520 . 6.520 5.798 5.054 6.583 0.063 12 0 "[ . 1 . 2]" 1
960 1 73 ALA H 1 94 LEU QD 8.070 . 8.070 5.555 5.103 6.607 . 0 0 "[ . 1 . 2]" 1
961 1 73 ALA HA 1 75 ALA H 5.500 . 5.500 4.363 4.109 4.730 . 0 0 "[ . 1 . 2]" 1
962 1 73 ALA HA 1 75 ALA MB 6.520 . 6.520 5.153 4.773 5.579 . 0 0 "[ . 1 . 2]" 1
963 1 73 ALA HA 1 76 ASP H 5.500 . 5.500 4.496 3.801 5.122 . 0 0 "[ . 1 . 2]" 1
964 1 73 ALA MB 1 74 LEU HA 6.520 . 6.520 3.982 3.865 4.051 . 0 0 "[ . 1 . 2]" 1
965 1 73 ALA MB 1 74 LEU MD1 7.540 . 7.540 4.497 2.404 5.156 . 0 0 "[ . 1 . 2]" 1
966 1 73 ALA MB 1 74 LEU MD2 7.540 . 7.540 4.504 4.036 5.129 . 0 0 "[ . 1 . 2]" 1
967 1 73 ALA MB 1 75 ALA H 6.520 . 6.520 4.596 4.416 4.791 . 0 0 "[ . 1 . 2]" 1
968 1 73 ALA MB 1 76 ASP H 6.520 . 6.520 5.542 4.917 6.097 . 0 0 "[ . 1 . 2]" 1
969 1 73 ALA MB 1 79 ASN QD 7.380 . 7.380 4.558 3.252 5.940 . 0 0 "[ . 1 . 2]" 1
970 1 74 LEU H 1 74 LEU HB2 3.240 . 3.240 2.167 2.042 2.253 . 0 0 "[ . 1 . 2]" 1
971 1 74 LEU H 1 74 LEU HB3 3.450 . 3.450 3.413 3.107 3.527 0.077 19 0 "[ . 1 . 2]" 1
972 1 74 LEU H 1 74 LEU MD2 5.150 . 5.150 4.010 3.770 4.233 . 0 0 "[ . 1 . 2]" 1
973 1 74 LEU H 1 74 LEU HG 3.760 . 3.760 3.338 2.877 3.928 0.168 14 0 "[ . 1 . 2]" 1
974 1 74 LEU H 1 75 ALA H 2.930 . 2.930 2.355 2.201 2.556 . 0 0 "[ . 1 . 2]" 1
975 1 74 LEU H 1 75 ALA MB 6.430 . 6.430 4.047 3.890 4.286 . 0 0 "[ . 1 . 2]" 1
976 1 74 LEU H 1 106 SER HA 5.500 . 5.500 5.416 4.664 5.608 0.108 13 0 "[ . 1 . 2]" 1
977 1 74 LEU H 1 106 SER QB 6.380 . 6.380 6.012 4.635 6.447 0.067 10 0 "[ . 1 . 2]" 1
978 1 74 LEU HA 1 74 LEU MD2 4.320 . 4.320 2.097 1.820 3.671 . 0 0 "[ . 1 . 2]" 1
979 1 74 LEU HB2 1 75 ALA H 3.300 . 3.300 2.990 2.659 3.334 0.034 7 0 "[ . 1 . 2]" 1
980 1 74 LEU HB2 1 75 ALA MB 6.520 . 6.520 4.246 3.964 4.680 . 0 0 "[ . 1 . 2]" 1
981 1 74 LEU HB3 1 75 ALA H 3.480 . 3.480 3.366 2.701 3.620 0.140 14 0 "[ . 1 . 2]" 1
982 1 74 LEU MD1 1 75 ALA H 6.330 . 6.330 4.696 4.142 4.993 . 0 0 "[ . 1 . 2]" 1
983 1 74 LEU MD2 1 75 ALA H 5.650 . 5.650 4.624 4.153 5.003 . 0 0 "[ . 1 . 2]" 1
984 1 74 LEU MD2 1 106 SER HA 6.460 . 6.460 2.215 1.626 2.844 . 0 0 "[ . 1 . 2]" 1
985 1 74 LEU MD2 1 107 ALA H 5.680 . 5.680 3.269 2.710 4.187 . 0 0 "[ . 1 . 2]" 1
986 1 74 LEU MD2 1 107 ALA HA 4.720 . 4.720 3.568 2.729 4.818 0.098 14 0 "[ . 1 . 2]" 1
987 1 74 LEU MD2 1 107 ALA MB 7.540 . 7.540 4.249 3.781 5.145 . 0 0 "[ . 1 . 2]" 1
988 1 74 LEU MD2 1 108 LEU H 5.340 . 5.340 3.025 2.362 4.354 . 0 0 "[ . 1 . 2]" 1
989 1 74 LEU MD2 1 108 LEU HA 5.770 . 5.770 3.356 2.531 4.376 . 0 0 "[ . 1 . 2]" 1
990 1 74 LEU MD2 1 108 LEU HB2 6.520 . 6.520 3.550 1.744 4.752 . 0 0 "[ . 1 . 2]" 1
991 1 74 LEU MD2 1 108 LEU QB 6.370 . 6.370 3.013 1.738 4.255 . 0 0 "[ . 1 . 2]" 1
992 1 74 LEU MD2 1 108 LEU HB3 6.520 . 6.520 3.680 1.841 4.802 . 0 0 "[ . 1 . 2]" 1
993 1 74 LEU MD2 1 108 LEU HG 5.430 . 5.430 2.385 1.324 4.024 . 0 0 "[ . 1 . 2]" 1
994 1 74 LEU HG 1 75 ALA H 5.190 . 5.190 4.907 4.615 5.173 . 0 0 "[ . 1 . 2]" 1
995 1 74 LEU HG 1 105 PRO HA 5.500 . 5.500 5.558 5.171 5.695 0.195 2 0 "[ . 1 . 2]" 1
996 1 75 ALA H 1 76 ASP H 2.990 . 2.990 2.898 2.421 3.089 0.099 13 0 "[ . 1 . 2]" 1
997 1 75 ALA H 1 83 MET ME 6.430 . 6.430 4.651 3.636 5.873 . 0 0 "[ . 1 . 2]" 1
998 1 75 ALA HA 1 77 MET H 4.790 . 4.790 4.668 4.252 4.907 0.117 1 0 "[ . 1 . 2]" 1
999 1 75 ALA HA 1 77 MET ME 6.520 . 6.520 4.948 3.584 5.680 . 0 0 "[ . 1 . 2]" 1
1000 1 75 ALA HA 1 83 MET ME 6.520 . 6.520 4.955 4.176 6.374 . 0 0 "[ . 1 . 2]" 1
1001 1 75 ALA HA 1 90 ILE MD 6.520 . 6.520 3.986 3.075 4.933 . 0 0 "[ . 1 . 2]" 1
1002 1 75 ALA HA 1 90 ILE QG 6.380 . 6.380 4.301 3.565 4.922 . 0 0 "[ . 1 . 2]" 1
1003 1 75 ALA HA 1 90 ILE MG 4.910 . 4.910 2.514 1.984 3.083 . 0 0 "[ . 1 . 2]" 1
1004 1 75 ALA HA 1 94 LEU QB 6.380 . 6.380 5.429 4.856 6.179 . 0 0 "[ . 1 . 2]" 1
1005 1 75 ALA HA 1 108 LEU HG 5.500 . 5.500 5.491 4.676 5.663 0.163 17 0 "[ . 1 . 2]" 1
1006 1 75 ALA MB 1 83 MET HB2 6.520 . 6.520 4.133 3.205 5.075 . 0 0 "[ . 1 . 2]" 1
1007 1 75 ALA MB 1 83 MET HB3 6.520 . 6.520 4.626 3.050 6.052 . 0 0 "[ . 1 . 2]" 1
1008 1 75 ALA MB 1 83 MET ME 5.800 . 5.800 2.458 1.705 3.680 . 0 0 "[ . 1 . 2]" 1
1009 1 75 ALA MB 1 90 ILE HB 6.520 . 6.520 5.530 4.425 6.545 0.025 1 0 "[ . 1 . 2]" 1
1010 1 75 ALA MB 1 90 ILE MD 7.540 . 7.540 4.850 3.915 5.750 . 0 0 "[ . 1 . 2]" 1
1011 1 75 ALA MB 1 90 ILE MG 6.170 . 6.170 2.902 1.983 3.803 . 0 0 "[ . 1 . 2]" 1
1012 1 75 ALA MB 1 91 ALA H 6.430 . 6.430 3.513 2.792 4.205 . 0 0 "[ . 1 . 2]" 1
1013 1 76 ASP H 1 76 ASP HB2 3.420 . 3.420 3.254 2.125 3.658 0.238 16 0 "[ . 1 . 2]" 1
1014 1 76 ASP H 1 76 ASP QB 3.130 . 3.130 2.652 2.092 2.941 . 0 0 "[ . 1 . 2]" 1
1015 1 76 ASP H 1 76 ASP HB3 3.420 . 3.420 2.895 2.640 3.127 . 0 0 "[ . 1 . 2]" 1
1016 1 76 ASP H 1 77 MET H 4.070 . 4.070 4.029 3.841 4.141 0.071 13 0 "[ . 1 . 2]" 1
1017 1 76 ASP H 1 79 ASN HA 5.500 . 5.500 4.897 4.379 5.521 0.021 19 0 "[ . 1 . 2]" 1
1018 1 76 ASP H 1 83 MET ME 5.280 . 5.280 3.871 2.706 5.156 . 0 0 "[ . 1 . 2]" 1
1019 1 76 ASP H 1 90 ILE MG 6.520 . 6.520 5.007 4.573 5.455 . 0 0 "[ . 1 . 2]" 1
1020 1 76 ASP HA 1 77 MET H 3.020 . 3.020 2.157 2.033 2.334 . 0 0 "[ . 1 . 2]" 1
1021 1 76 ASP HA 1 78 ASN H 5.500 . 5.500 3.633 3.368 4.087 . 0 0 "[ . 1 . 2]" 1
1022 1 76 ASP HA 1 80 ASP H 5.500 . 5.500 4.822 4.242 5.296 . 0 0 "[ . 1 . 2]" 1
1023 1 76 ASP HA 1 83 MET HA 5.500 . 5.500 4.330 3.620 5.298 . 0 0 "[ . 1 . 2]" 1
1024 1 76 ASP HA 1 83 MET ME 6.330 . 6.330 5.036 3.667 6.381 0.051 16 0 "[ . 1 . 2]" 1
1025 1 76 ASP QB 1 79 ASN H 6.380 . 6.380 3.150 2.510 3.797 . 0 0 "[ . 1 . 2]" 1
1026 1 76 ASP QB 1 80 ASP H 6.380 . 6.380 2.910 1.956 4.296 . 0 0 "[ . 1 . 2]" 1
1027 1 76 ASP QB 1 83 MET ME 7.210 . 7.210 3.967 2.839 5.190 . 0 0 "[ . 1 . 2]" 1
1028 1 76 ASP HB2 1 77 MET H 5.070 . 5.070 4.098 3.779 4.662 . 0 0 "[ . 1 . 2]" 1
1029 1 76 ASP HB3 1 77 MET H 5.070 . 5.070 4.358 4.167 4.477 . 0 0 "[ . 1 . 2]" 1
1030 1 77 MET H 1 77 MET HB2 3.640 . 3.640 2.520 2.083 3.560 . 0 0 "[ . 1 . 2]" 1
1031 1 77 MET H 1 77 MET HB3 3.890 . 3.890 3.469 2.602 3.612 . 0 0 "[ . 1 . 2]" 1
1032 1 77 MET H 1 77 MET ME 5.590 . 5.590 3.067 2.499 3.408 . 0 0 "[ . 1 . 2]" 1
1033 1 77 MET H 1 77 MET HG2 3.980 . 3.980 3.443 1.879 4.097 0.117 8 0 "[ . 1 . 2]" 1
1034 1 77 MET H 1 77 MET HG3 3.980 . 3.980 2.522 2.167 4.058 0.078 8 0 "[ . 1 . 2]" 1
1035 1 77 MET H 1 78 ASN H 5.500 . 5.500 2.774 2.626 3.023 . 0 0 "[ . 1 . 2]" 1
1036 1 77 MET H 1 79 ASN QB 6.380 . 6.380 5.967 4.908 6.423 0.043 7 0 "[ . 1 . 2]" 1
1037 1 77 MET H 1 87 GLU HG2 5.500 . 5.500 3.818 2.639 5.148 . 0 0 "[ . 1 . 2]" 1
1038 1 77 MET H 1 87 GLU HG3 5.500 . 5.500 3.473 2.021 4.867 . 0 0 "[ . 1 . 2]" 1
1039 1 77 MET H 1 90 ILE MG 6.520 . 6.520 4.620 4.159 5.257 . 0 0 "[ . 1 . 2]" 1
1040 1 77 MET HB2 1 78 ASN H 3.640 . 3.640 2.947 2.504 3.725 0.085 4 0 "[ . 1 . 2]" 1
1041 1 77 MET HB2 1 90 ILE MD 6.520 . 6.520 5.911 5.109 6.389 . 0 0 "[ . 1 . 2]" 1
1042 1 77 MET HB3 1 78 ASN H 3.920 . 3.920 3.709 2.826 4.055 0.135 4 0 "[ . 1 . 2]" 1
1043 1 77 MET ME 1 78 ASN H 6.520 . 6.520 4.258 3.761 4.681 . 0 0 "[ . 1 . 2]" 1
1044 1 77 MET ME 1 87 GLU H 6.520 . 6.520 5.432 4.058 6.548 0.028 3 0 "[ . 1 . 2]" 1
1045 1 77 MET ME 1 87 GLU HA 5.340 . 5.340 3.743 1.958 4.881 . 0 0 "[ . 1 . 2]" 1
1046 1 77 MET ME 1 87 GLU HG2 5.400 . 5.400 4.665 3.124 5.459 0.059 15 0 "[ . 1 . 2]" 1
1047 1 77 MET ME 1 87 GLU HG3 5.400 . 5.400 3.819 1.495 5.233 . 0 0 "[ . 1 . 2]" 1
1048 1 77 MET ME 1 90 ILE MD 6.640 . 6.640 3.347 2.863 3.720 . 0 0 "[ . 1 . 2]" 1
1049 1 77 MET ME 1 90 ILE QG 5.140 . 5.140 5.017 4.287 5.200 0.060 2 0 "[ . 1 . 2]" 1
1050 1 77 MET ME 1 90 ILE MG 6.580 . 6.580 3.203 2.226 3.822 . 0 0 "[ . 1 . 2]" 1
1051 1 77 MET ME 1 113 LYS HA 6.180 . 6.180 4.097 2.679 5.465 . 0 0 "[ . 1 . 2]" 1
1052 1 77 MET QG 1 78 ASN H 5.320 . 5.320 4.071 2.298 4.575 . 0 0 "[ . 1 . 2]" 1
1053 1 77 MET QG 1 90 ILE MD 6.340 . 6.340 4.061 3.182 5.157 . 0 0 "[ . 1 . 2]" 1
1054 1 77 MET QG 1 90 ILE MG 7.400 . 7.400 3.977 2.610 5.150 . 0 0 "[ . 1 . 2]" 1
1055 1 77 MET HG2 1 78 ASN H 5.470 . 5.470 4.895 2.603 5.268 . 0 0 "[ . 1 . 2]" 1
1056 1 77 MET HG2 1 90 ILE MD 6.520 . 6.520 4.783 3.612 5.449 . 0 0 "[ . 1 . 2]" 1
1057 1 77 MET HG3 1 78 ASN H 5.470 . 5.470 4.361 2.542 5.060 . 0 0 "[ . 1 . 2]" 1
1058 1 77 MET HG3 1 90 ILE MD 6.520 . 6.520 4.490 3.534 6.610 0.090 4 0 "[ . 1 . 2]" 1
1059 1 78 ASN H 1 78 ASN HB2 4.070 . 4.070 3.027 2.474 3.681 . 0 0 "[ . 1 . 2]" 1
1060 1 78 ASN H 1 78 ASN HB3 4.070 . 4.070 2.623 2.363 3.654 . 0 0 "[ . 1 . 2]" 1
1061 1 78 ASN H 1 79 ASN H 3.170 . 3.170 2.384 2.223 2.556 . 0 0 "[ . 1 . 2]" 1
1062 1 78 ASN H 1 87 GLU QG 6.380 . 6.380 3.881 2.316 5.001 . 0 0 "[ . 1 . 2]" 1
1063 1 78 ASN HB2 1 80 ASP H 5.500 . 5.500 5.171 3.029 5.601 0.101 7 0 "[ . 1 . 2]" 1
1064 1 78 ASN HB3 1 80 ASP H 5.500 . 5.500 4.514 3.242 5.606 0.106 4 0 "[ . 1 . 2]" 1
1065 1 78 ASN QD 1 80 ASP HA 6.360 . 6.360 3.768 2.459 5.895 . 0 0 "[ . 1 . 2]" 1
1066 1 79 ASN H 1 79 ASN HA 2.770 . 2.770 2.256 2.241 2.265 . 0 0 "[ . 1 . 2]" 1
1067 1 79 ASN H 1 79 ASN HB2 3.760 . 3.760 2.998 2.884 3.083 . 0 0 "[ . 1 . 2]" 1
1068 1 79 ASN H 1 79 ASN QB 3.530 . 3.530 2.868 2.772 2.934 . 0 0 "[ . 1 . 2]" 1
1069 1 79 ASN H 1 79 ASN HB3 3.760 . 3.760 3.659 3.579 3.778 0.018 13 0 "[ . 1 . 2]" 1
1070 1 79 ASN H 1 81 GLY H 5.500 . 5.500 4.878 4.677 5.277 . 0 0 "[ . 1 . 2]" 1
1071 1 79 ASN HA 1 80 ASP H 2.710 . 2.710 2.373 2.228 2.625 . 0 0 "[ . 1 . 2]" 1
1072 1 79 ASN HA 1 87 GLU QG 6.380 . 6.380 5.756 5.185 6.447 0.067 13 0 "[ . 1 . 2]" 1
1073 1 79 ASN HB2 1 80 ASP H 4.660 . 4.660 4.604 4.543 4.651 . 0 0 "[ . 1 . 2]" 1
1074 1 79 ASN HB3 1 80 ASP H 4.660 . 4.660 4.400 4.293 4.446 . 0 0 "[ . 1 . 2]" 1
1075 1 79 ASN QD 1 83 MET H 6.360 . 6.360 6.152 5.271 6.436 0.076 11 0 "[ . 1 . 2]" 1
1076 1 80 ASP H 1 80 ASP HB2 3.830 . 3.830 2.786 2.353 3.692 . 0 0 "[ . 1 . 2]" 1
1077 1 80 ASP H 1 80 ASP QB 3.600 . 3.600 2.335 2.157 2.704 . 0 0 "[ . 1 . 2]" 1
1078 1 80 ASP H 1 80 ASP HB3 3.830 . 3.830 2.592 2.237 3.627 . 0 0 "[ . 1 . 2]" 1
1079 1 80 ASP H 1 81 GLY H 2.960 . 2.960 2.184 1.999 2.409 . 0 0 "[ . 1 . 2]" 1
1080 1 80 ASP H 1 81 GLY HA3 4.970 . 4.970 4.867 4.696 5.050 0.080 12 0 "[ . 1 . 2]" 1
1081 1 80 ASP H 1 82 ARG H 3.950 . 3.950 3.822 3.050 4.150 0.200 7 0 "[ . 1 . 2]" 1
1082 1 80 ASP HB2 1 81 GLY H 5.280 . 5.280 3.968 3.219 4.267 . 0 0 "[ . 1 . 2]" 1
1083 1 80 ASP HB3 1 81 GLY H 5.280 . 5.280 3.100 2.599 4.006 . 0 0 "[ . 1 . 2]" 1
1084 1 81 GLY H 1 82 ARG H 3.360 . 3.360 2.440 1.941 2.833 . 0 0 "[ . 1 . 2]" 1
1085 1 82 ARG H 1 82 ARG HD2 5.500 . 5.500 4.553 2.782 5.415 . 0 0 "[ . 1 . 2]" 1
1086 1 82 ARG H 1 82 ARG HD3 5.500 . 5.500 4.319 2.768 5.457 . 0 0 "[ . 1 . 2]" 1
1087 1 82 ARG H 1 82 ARG HG2 5.500 . 5.500 4.059 2.182 4.871 . 0 0 "[ . 1 . 2]" 1
1088 1 82 ARG H 1 82 ARG HG3 5.500 . 5.500 3.765 3.004 4.839 . 0 0 "[ . 1 . 2]" 1
1089 1 82 ARG H 1 83 MET H 5.100 . 5.100 2.008 1.667 4.027 . 0 0 "[ . 1 . 2]" 1
1090 1 82 ARG HA 1 83 MET H 3.360 . 3.360 3.390 2.108 3.500 0.140 4 0 "[ . 1 . 2]" 1
1091 1 82 ARG QB 1 83 MET H 3.440 . 3.440 2.820 2.372 3.298 . 0 0 "[ . 1 . 2]" 1
1092 1 82 ARG HB2 1 83 MET H 3.670 . 3.670 3.046 2.435 3.694 0.024 14 0 "[ . 1 . 2]" 1
1093 1 82 ARG HB3 1 83 MET H 3.670 . 3.670 3.552 2.401 3.830 0.160 2 0 "[ . 1 . 2]" 1
1094 1 82 ARG QD 1 83 MET H 6.380 . 6.380 4.579 3.844 5.415 . 0 0 "[ . 1 . 2]" 1
1095 1 82 ARG HG2 1 83 MET H 5.500 . 5.500 4.681 2.411 5.526 0.026 9 0 "[ . 1 . 2]" 1
1096 1 82 ARG HG3 1 83 MET H 5.500 . 5.500 4.391 1.974 5.062 . 0 0 "[ . 1 . 2]" 1
1097 1 83 MET H 1 83 MET HB2 4.070 . 4.070 3.488 3.077 3.973 . 0 0 "[ . 1 . 2]" 1
1098 1 83 MET H 1 83 MET QB 3.820 . 3.820 2.997 2.688 3.396 . 0 0 "[ . 1 . 2]" 1
1099 1 83 MET H 1 83 MET HB3 4.070 . 4.070 3.417 2.771 4.121 0.051 10 0 "[ . 1 . 2]" 1
1100 1 83 MET H 1 83 MET ME 6.300 . 6.300 4.659 3.563 5.063 . 0 0 "[ . 1 . 2]" 1
1101 1 83 MET H 1 83 MET HG2 5.500 . 5.500 4.297 1.971 4.960 . 0 0 "[ . 1 . 2]" 1
1102 1 83 MET H 1 83 MET HG3 5.500 . 5.500 4.338 3.062 4.845 . 0 0 "[ . 1 . 2]" 1
1103 1 83 MET H 1 84 ASP H 4.910 . 4.910 3.728 3.161 4.626 . 0 0 "[ . 1 . 2]" 1
1104 1 83 MET HA 1 84 ASP H 2.900 . 2.900 2.241 2.085 2.779 . 0 0 "[ . 1 . 2]" 1
1105 1 83 MET HA 1 87 GLU HB2 4.450 . 4.450 2.716 1.757 3.629 . 0 0 "[ . 1 . 2]" 1
1106 1 83 MET HA 1 87 GLU HB3 4.450 . 4.450 3.591 2.616 4.531 0.081 5 0 "[ . 1 . 2]" 1
1107 1 83 MET QB 1 84 ASP H 4.280 . 4.280 3.508 1.825 4.021 . 0 0 "[ . 1 . 2]" 1
1108 1 83 MET QB 1 87 GLU QB 6.320 . 6.320 2.967 1.725 3.841 . 0 0 "[ . 1 . 2]" 1
1109 1 83 MET HB2 1 84 ASP H 4.540 . 4.540 3.930 1.832 4.548 0.008 13 0 "[ . 1 . 2]" 1
1110 1 83 MET HB2 1 87 GLU HB2 7.260 . 7.260 3.487 1.763 4.671 . 0 0 "[ . 1 . 2]" 1
1111 1 83 MET HB2 1 87 GLU HB3 7.260 . 7.260 3.960 2.485 4.955 . 0 0 "[ . 1 . 2]" 1
1112 1 83 MET HB2 1 88 PHE H 5.500 . 5.500 4.799 2.845 5.559 0.059 6 0 "[ . 1 . 2]" 1
1113 1 83 MET HB3 1 84 ASP H 4.540 . 4.540 4.182 2.722 4.575 0.035 3 0 "[ . 1 . 2]" 1
1114 1 83 MET HB3 1 87 GLU HB2 7.260 . 7.260 4.086 2.292 4.954 . 0 0 "[ . 1 . 2]" 1
1115 1 83 MET HB3 1 87 GLU HB3 7.260 . 7.260 4.673 2.970 5.965 . 0 0 "[ . 1 . 2]" 1
1116 1 83 MET HB3 1 88 PHE H 5.500 . 5.500 5.149 3.233 5.594 0.094 15 0 "[ . 1 . 2]" 1
1117 1 83 MET ME 1 84 ASP H 6.520 . 6.520 5.379 4.176 5.965 . 0 0 "[ . 1 . 2]" 1
1118 1 83 MET ME 1 87 GLU QB 6.280 . 6.280 3.766 2.495 4.698 . 0 0 "[ . 1 . 2]" 1
1119 1 83 MET ME 1 88 PHE H 6.520 . 6.520 4.918 4.375 5.468 . 0 0 "[ . 1 . 2]" 1
1120 1 83 MET ME 1 88 PHE HA 6.360 . 6.360 3.657 2.814 4.236 . 0 0 "[ . 1 . 2]" 1
1121 1 83 MET ME 1 90 ILE MG 7.540 . 7.540 5.096 4.034 5.908 . 0 0 "[ . 1 . 2]" 1
1122 1 83 MET ME 1 91 ALA H 6.520 . 6.520 5.223 4.542 6.288 . 0 0 "[ . 1 . 2]" 1
1123 1 83 MET QG 1 84 ASP H 5.140 . 5.140 3.537 2.581 4.365 . 0 0 "[ . 1 . 2]" 1
1124 1 83 MET HG2 1 84 ASP H 5.500 . 5.500 4.222 3.619 5.331 . 0 0 "[ . 1 . 2]" 1
1125 1 83 MET HG3 1 84 ASP H 5.500 . 5.500 3.913 2.623 5.125 . 0 0 "[ . 1 . 2]" 1
1126 1 84 ASP H 1 84 ASP HB2 3.860 . 3.860 2.700 2.276 3.909 0.049 5 0 "[ . 1 . 2]" 1
1127 1 84 ASP H 1 84 ASP HB3 3.860 . 3.860 2.700 2.361 3.553 . 0 0 "[ . 1 . 2]" 1
1128 1 84 ASP H 1 85 GLN H 5.130 . 5.130 4.483 4.310 4.601 . 0 0 "[ . 1 . 2]" 1
1129 1 84 ASP H 1 87 GLU H 4.290 . 4.290 3.515 2.954 4.180 . 0 0 "[ . 1 . 2]" 1
1130 1 84 ASP H 1 87 GLU QB 4.150 . 4.150 2.586 2.022 3.087 . 0 0 "[ . 1 . 2]" 1
1131 1 84 ASP H 1 88 PHE H 4.630 . 4.630 4.110 3.074 4.455 . 0 0 "[ . 1 . 2]" 1
1132 1 84 ASP HA 1 85 GLN H 3.420 . 3.420 2.615 2.394 2.816 . 0 0 "[ . 1 . 2]" 1
1133 1 84 ASP QB 1 85 GLN H 3.500 . 3.500 2.883 1.599 3.279 . 0 0 "[ . 1 . 2]" 1
1134 1 84 ASP QB 1 86 VAL H 5.540 . 5.540 2.920 2.340 3.581 . 0 0 "[ . 1 . 2]" 1
1135 1 84 ASP QB 1 86 VAL QG 7.240 . 7.240 3.310 2.068 4.186 . 0 0 "[ . 1 . 2]" 1
1136 1 84 ASP HB2 1 85 GLN H 3.700 . 3.700 3.613 2.034 3.827 0.127 14 0 "[ . 1 . 2]" 1
1137 1 84 ASP HB2 1 86 VAL MG1 8.280 . 8.280 5.745 3.378 7.068 . 0 0 "[ . 1 . 2]" 1
1138 1 84 ASP HB2 1 86 VAL MG2 8.280 . 8.280 5.185 4.241 6.536 . 0 0 "[ . 1 . 2]" 1
1139 1 84 ASP HB3 1 85 GLN H 3.700 . 3.700 3.126 1.604 3.605 . 0 0 "[ . 1 . 2]" 1
1140 1 84 ASP HB3 1 86 VAL MG1 8.280 . 8.280 4.539 2.085 6.758 . 0 0 "[ . 1 . 2]" 1
1141 1 84 ASP HB3 1 86 VAL MG2 8.280 . 8.280 4.081 2.858 6.207 . 0 0 "[ . 1 . 2]" 1
1142 1 85 GLN H 1 85 GLN HB2 3.860 . 3.860 2.655 2.379 3.615 . 0 0 "[ . 1 . 2]" 1
1143 1 85 GLN H 1 85 GLN QB 3.620 . 3.620 2.520 2.346 2.748 . 0 0 "[ . 1 . 2]" 1
1144 1 85 GLN H 1 85 GLN HB3 3.860 . 3.860 3.505 2.843 3.618 . 0 0 "[ . 1 . 2]" 1
1145 1 85 GLN H 1 85 GLN HG2 5.410 . 5.410 2.854 1.819 3.913 . 0 0 "[ . 1 . 2]" 1
1146 1 85 GLN H 1 85 GLN QG 4.820 . 4.820 2.547 1.812 3.299 . 0 0 "[ . 1 . 2]" 1
1147 1 85 GLN H 1 85 GLN HG3 5.410 . 5.410 3.478 3.236 3.931 . 0 0 "[ . 1 . 2]" 1
1148 1 85 GLN H 1 86 VAL H 3.610 . 3.610 2.708 2.410 2.950 . 0 0 "[ . 1 . 2]" 1
1149 1 85 GLN H 1 86 VAL QG 8.070 . 8.070 3.927 3.583 4.310 . 0 0 "[ . 1 . 2]" 1
1150 1 85 GLN HA 1 85 GLN HE21 5.500 . 5.500 3.289 2.608 4.438 . 0 0 "[ . 1 . 2]" 1
1151 1 85 GLN HA 1 85 GLN HE22 5.500 . 5.500 4.140 2.902 5.538 0.038 15 0 "[ . 1 . 2]" 1
1152 1 85 GLN HA 1 88 PHE H 5.410 . 5.410 3.373 3.127 3.733 . 0 0 "[ . 1 . 2]" 1
1153 1 85 GLN HA 1 88 PHE HB2 4.660 . 4.660 3.242 2.551 4.026 . 0 0 "[ . 1 . 2]" 1
1154 1 85 GLN HA 1 88 PHE QB 4.500 . 4.500 2.242 1.835 2.662 . 0 0 "[ . 1 . 2]" 1
1155 1 85 GLN HA 1 88 PHE HB3 4.660 . 4.660 2.300 1.856 2.741 . 0 0 "[ . 1 . 2]" 1
1156 1 85 GLN HA 1 88 PHE HD1 5.500 . 5.500 5.497 4.195 6.230 0.730 11 2 "[ . 1+ .- 2]" 1
1157 1 85 GLN HA 1 89 SER H 5.470 . 5.470 3.971 3.585 4.244 . 0 0 "[ . 1 . 2]" 1
1158 1 85 GLN HA 1 89 SER HA 5.500 . 5.500 5.573 4.978 5.751 0.251 6 0 "[ . 1 . 2]" 1
1159 1 85 GLN QB 1 89 SER HA 6.380 . 6.380 5.744 5.004 6.072 . 0 0 "[ . 1 . 2]" 1
1160 1 85 GLN HB2 1 85 GLN HE22 5.500 . 5.500 4.746 4.171 5.318 . 0 0 "[ . 1 . 2]" 1
1161 1 85 GLN HB2 1 86 VAL H 4.630 . 4.630 3.023 2.656 3.938 . 0 0 "[ . 1 . 2]" 1
1162 1 85 GLN HB3 1 85 GLN HE22 5.500 . 5.500 4.776 3.283 5.173 . 0 0 "[ . 1 . 2]" 1
1163 1 85 GLN HB3 1 86 VAL H 4.630 . 4.630 3.921 3.475 4.276 . 0 0 "[ . 1 . 2]" 1
1164 1 85 GLN HG2 1 86 VAL H 5.500 . 5.500 4.504 2.244 5.439 . 0 0 "[ . 1 . 2]" 1
1165 1 85 GLN HG3 1 86 VAL H 5.500 . 5.500 4.979 3.733 5.497 . 0 0 "[ . 1 . 2]" 1
1166 1 86 VAL H 1 86 VAL HB 3.210 . 3.210 2.593 2.522 2.770 . 0 0 "[ . 1 . 2]" 1
1167 1 86 VAL H 1 87 GLU H 3.890 . 3.890 2.668 2.450 2.819 . 0 0 "[ . 1 . 2]" 1
1168 1 86 VAL H 1 88 PHE H 5.500 . 5.500 3.851 3.646 4.044 . 0 0 "[ . 1 . 2]" 1
1169 1 86 VAL HA 1 89 SER H 3.950 . 3.950 3.478 3.198 3.684 . 0 0 "[ . 1 . 2]" 1
1170 1 86 VAL HA 1 89 SER HA 5.500 . 5.500 5.348 4.944 5.571 0.071 7 0 "[ . 1 . 2]" 1
1171 1 86 VAL HA 1 90 ILE H 5.500 . 5.500 4.978 4.368 5.527 0.027 11 0 "[ . 1 . 2]" 1
1172 1 86 VAL HB 1 87 GLU H 5.500 . 5.500 2.675 2.213 4.037 . 0 0 "[ . 1 . 2]" 1
1173 1 86 VAL QG 1 90 ILE H 8.070 . 8.070 4.707 4.052 5.162 . 0 0 "[ . 1 . 2]" 1
1174 1 86 VAL MG1 1 87 GLU H 6.520 . 6.520 3.033 1.956 3.491 . 0 0 "[ . 1 . 2]" 1
1175 1 86 VAL MG1 1 89 SER H 6.520 . 6.520 4.657 4.400 4.968 . 0 0 "[ . 1 . 2]" 1
1176 1 86 VAL MG2 1 87 GLU H 6.520 . 6.520 3.664 3.298 3.804 . 0 0 "[ . 1 . 2]" 1
1177 1 86 VAL MG2 1 89 SER H 6.520 . 6.520 5.076 4.427 5.326 . 0 0 "[ . 1 . 2]" 1
1178 1 87 GLU H 1 87 GLU HG2 5.250 . 5.250 3.444 1.896 3.968 . 0 0 "[ . 1 . 2]" 1
1179 1 87 GLU H 1 87 GLU QG 5.020 . 5.020 2.838 1.886 3.465 . 0 0 "[ . 1 . 2]" 1
1180 1 87 GLU H 1 87 GLU HG3 5.250 . 5.250 3.311 2.689 3.889 . 0 0 "[ . 1 . 2]" 1
1181 1 87 GLU H 1 88 PHE H 3.700 . 3.700 2.615 2.510 2.729 . 0 0 "[ . 1 . 2]" 1
1182 1 87 GLU H 1 90 ILE MG 6.520 . 6.520 4.705 4.128 5.367 . 0 0 "[ . 1 . 2]" 1
1183 1 87 GLU HA 1 90 ILE HB 4.510 . 4.510 4.328 3.835 4.542 0.032 9 0 "[ . 1 . 2]" 1
1184 1 87 GLU HA 1 90 ILE MD 6.460 . 6.460 4.787 4.209 5.247 . 0 0 "[ . 1 . 2]" 1
1185 1 87 GLU QB 1 90 ILE MG 7.400 . 7.400 3.590 3.170 4.003 . 0 0 "[ . 1 . 2]" 1
1186 1 87 GLU HB2 1 88 PHE H 5.500 . 5.500 2.706 2.549 2.884 . 0 0 "[ . 1 . 2]" 1
1187 1 87 GLU HB3 1 88 PHE H 5.500 . 5.500 3.724 3.459 3.991 . 0 0 "[ . 1 . 2]" 1
1188 1 87 GLU HG2 1 88 PHE H 5.500 . 5.500 4.869 3.766 5.240 . 0 0 "[ . 1 . 2]" 1
1189 1 87 GLU HG3 1 88 PHE H 5.500 . 5.500 4.870 4.607 5.149 . 0 0 "[ . 1 . 2]" 1
1190 1 88 PHE H 1 88 PHE HB2 3.520 . 3.520 2.524 2.129 2.696 . 0 0 "[ . 1 . 2]" 1
1191 1 88 PHE H 1 88 PHE HB3 3.520 . 3.520 2.551 2.390 2.995 . 0 0 "[ . 1 . 2]" 1
1192 1 88 PHE H 1 88 PHE HD1 5.190 . 5.190 4.665 4.347 4.922 . 0 0 "[ . 1 . 2]" 1
1193 1 88 PHE H 1 89 SER H 3.860 . 3.860 2.598 2.491 2.738 . 0 0 "[ . 1 . 2]" 1
1194 1 88 PHE H 1 91 ALA MB 6.520 . 6.520 4.632 4.186 5.155 . 0 0 "[ . 1 . 2]" 1
1195 1 88 PHE HA 1 89 SER H 3.480 . 3.480 3.487 3.453 3.529 0.049 7 0 "[ . 1 . 2]" 1
1196 1 88 PHE HA 1 90 ILE MG 5.370 . 5.370 4.245 3.865 4.504 . 0 0 "[ . 1 . 2]" 1
1197 1 88 PHE QB 1 89 SER H 4.160 . 4.160 2.812 2.486 2.932 . 0 0 "[ . 1 . 2]" 1
1198 1 88 PHE HB2 1 89 SER H 4.480 . 4.480 3.995 3.539 4.152 . 0 0 "[ . 1 . 2]" 1
1199 1 88 PHE HB3 1 89 SER H 4.480 . 4.480 2.875 2.518 3.002 . 0 0 "[ . 1 . 2]" 1
1200 1 89 SER H 1 90 ILE H 3.920 . 3.920 2.650 2.546 2.772 . 0 0 "[ . 1 . 2]" 1
1201 1 90 ILE H 1 90 ILE HB 3.830 . 3.830 2.719 2.487 2.965 . 0 0 "[ . 1 . 2]" 1
1202 1 90 ILE H 1 90 ILE HG12 5.500 . 5.500 4.501 4.420 4.603 . 0 0 "[ . 1 . 2]" 1
1203 1 90 ILE H 1 90 ILE HG13 5.500 . 5.500 4.528 4.405 4.655 . 0 0 "[ . 1 . 2]" 1
1204 1 90 ILE H 1 91 ALA H 4.850 . 4.850 2.263 1.980 2.529 . 0 0 "[ . 1 . 2]" 1
1205 1 90 ILE HA 1 94 LEU H 5.500 . 5.500 5.218 4.344 5.539 0.039 7 0 "[ . 1 . 2]" 1
1206 1 90 ILE HA 1 112 MET ME 6.520 . 6.520 3.356 1.689 4.814 . 0 0 "[ . 1 . 2]" 1
1207 1 90 ILE HB 1 91 ALA H 4.570 . 4.570 4.100 4.045 4.198 . 0 0 "[ . 1 . 2]" 1
1208 1 90 ILE HB 1 112 MET ME 6.520 . 6.520 4.188 3.327 5.847 . 0 0 "[ . 1 . 2]" 1
1209 1 90 ILE MD 1 91 ALA H 6.520 . 6.520 4.974 4.581 5.373 . 0 0 "[ . 1 . 2]" 1
1210 1 90 ILE MD 1 112 MET HB2 6.520 . 6.520 2.654 2.118 3.933 . 0 0 "[ . 1 . 2]" 1
1211 1 90 ILE MD 1 112 MET HB3 6.520 . 6.520 2.259 1.375 2.892 . 0 0 "[ . 1 . 2]" 1
1212 1 90 ILE MD 1 112 MET HG2 6.520 . 6.520 4.218 2.212 4.915 . 0 0 "[ . 1 . 2]" 1
1213 1 90 ILE MD 1 112 MET HG3 6.520 . 6.520 4.041 2.985 4.819 . 0 0 "[ . 1 . 2]" 1
1214 1 90 ILE MD 1 113 LYS H 6.520 . 6.520 3.644 3.013 4.462 . 0 0 "[ . 1 . 2]" 1
1215 1 90 ILE MD 1 113 LYS HA 5.030 . 5.030 3.014 2.244 4.168 . 0 0 "[ . 1 . 2]" 1
1216 1 90 ILE MD 1 113 LYS QB 7.400 . 7.400 3.227 2.548 4.105 . 0 0 "[ . 1 . 2]" 1
1217 1 90 ILE MD 1 113 LYS HD2 6.520 . 6.520 5.336 2.575 6.546 0.026 17 0 "[ . 1 . 2]" 1
1218 1 90 ILE MD 1 113 LYS HD3 6.520 . 6.520 5.690 3.527 6.551 0.031 5 0 "[ . 1 . 2]" 1
1219 1 90 ILE MD 1 113 LYS HG2 6.520 . 6.520 4.453 3.016 5.298 . 0 0 "[ . 1 . 2]" 1
1220 1 90 ILE MD 1 113 LYS HG3 6.520 . 6.520 5.136 3.838 6.197 . 0 0 "[ . 1 . 2]" 1
1221 1 90 ILE QG 1 94 LEU H 6.380 . 6.380 4.820 4.021 5.899 . 0 0 "[ . 1 . 2]" 1
1222 1 90 ILE QG 1 112 MET ME 7.400 . 7.400 2.078 1.692 3.563 . 0 0 "[ . 1 . 2]" 1
1223 1 90 ILE QG 1 113 LYS HA 5.700 . 5.700 4.802 3.898 5.708 0.008 5 0 "[ . 1 . 2]" 1
1224 1 90 ILE MG 1 91 ALA H 6.520 . 6.520 2.499 2.156 2.899 . 0 0 "[ . 1 . 2]" 1
1225 1 90 ILE MG 1 112 MET ME 7.130 . 7.130 4.200 3.585 5.530 . 0 0 "[ . 1 . 2]" 1
1226 1 92 MET H 1 95 ILE H 5.500 . 5.500 5.155 4.857 5.503 0.003 1 0 "[ . 1 . 2]" 1
1227 1 92 MET HB2 1 93 LYS H 5.500 . 5.500 3.724 2.674 4.059 . 0 0 "[ . 1 . 2]" 1
1228 1 92 MET HB3 1 93 LYS H 5.500 . 5.500 3.792 2.581 4.314 . 0 0 "[ . 1 . 2]" 1
1229 1 93 LYS H 1 94 LEU H 3.480 . 3.480 2.397 2.054 2.721 . 0 0 "[ . 1 . 2]" 1
1230 1 94 LEU H 1 94 LEU HG 4.320 . 4.320 4.383 4.232 4.520 0.200 3 0 "[ . 1 . 2]" 1
1231 1 94 LEU H 1 95 ILE H 4.510 . 4.510 2.604 2.325 2.749 . 0 0 "[ . 1 . 2]" 1
1232 1 94 LEU H 1 97 LEU H 5.500 . 5.500 4.827 4.567 5.422 . 0 0 "[ . 1 . 2]" 1
1233 1 94 LEU HA 1 95 ILE H 3.550 . 3.550 3.515 3.455 3.558 0.008 6 0 "[ . 1 . 2]" 1
1234 1 94 LEU HA 1 97 LEU H 5.500 . 5.500 3.439 3.095 3.762 . 0 0 "[ . 1 . 2]" 1
1235 1 94 LEU HA 1 97 LEU QB 4.830 . 4.830 2.874 1.957 4.091 . 0 0 "[ . 1 . 2]" 1
1236 1 94 LEU HA 1 97 LEU MD2 5.990 . 5.990 3.404 2.107 4.764 . 0 0 "[ . 1 . 2]" 1
1237 1 94 LEU HA 1 98 LYS H 5.220 . 5.220 3.941 3.613 4.352 . 0 0 "[ . 1 . 2]" 1
1238 1 94 LEU QB 1 95 ILE H 3.220 . 3.220 2.654 2.272 2.967 . 0 0 "[ . 1 . 2]" 1
1239 1 94 LEU QB 1 95 ILE HA 5.200 . 5.200 3.766 3.577 3.958 . 0 0 "[ . 1 . 2]" 1
1240 1 94 LEU QB 1 95 ILE MD 7.400 . 7.400 4.040 2.578 4.734 . 0 0 "[ . 1 . 2]" 1
1241 1 94 LEU QB 1 95 ILE QG 7.260 . 7.260 3.363 2.994 3.957 . 0 0 "[ . 1 . 2]" 1
1242 1 94 LEU HB2 1 95 ILE H 3.550 . 3.550 3.276 2.970 3.652 0.102 5 0 "[ . 1 . 2]" 1
1243 1 94 LEU HB3 1 95 ILE H 3.550 . 3.550 2.852 2.296 3.241 . 0 0 "[ . 1 . 2]" 1
1244 1 94 LEU QD 1 95 ILE HA 8.070 . 8.070 4.856 4.222 5.060 . 0 0 "[ . 1 . 2]" 1
1245 1 94 LEU QD 1 97 LEU MD2 9.090 . 9.090 3.367 2.002 4.743 . 0 0 "[ . 1 . 2]" 1
1246 1 94 LEU MD1 1 95 ILE H 6.520 . 6.520 4.567 4.455 4.710 . 0 0 "[ . 1 . 2]" 1
1247 1 94 LEU MD2 1 95 ILE H 6.520 . 6.520 4.615 4.063 4.942 . 0 0 "[ . 1 . 2]" 1
1248 1 94 LEU HG 1 95 ILE H 5.500 . 5.500 4.707 3.720 5.013 . 0 0 "[ . 1 . 2]" 1
1249 1 94 LEU HG 1 95 ILE HA 5.500 . 5.500 5.243 3.753 5.606 0.106 11 0 "[ . 1 . 2]" 1
1250 1 94 LEU HG 1 97 LEU H 5.500 . 5.500 5.422 4.993 5.592 0.092 8 0 "[ . 1 . 2]" 1
1251 1 95 ILE H 1 95 ILE HB 3.170 . 3.170 2.633 2.373 2.801 . 0 0 "[ . 1 . 2]" 1
1252 1 95 ILE H 1 95 ILE MD 5.060 . 5.060 3.240 1.672 3.646 . 0 0 "[ . 1 . 2]" 1
1253 1 95 ILE H 1 95 ILE HG12 5.500 . 5.500 2.735 1.785 3.854 . 0 0 "[ . 1 . 2]" 1
1254 1 95 ILE H 1 95 ILE HG13 5.500 . 5.500 2.602 1.729 3.727 . 0 0 "[ . 1 . 2]" 1
1255 1 95 ILE H 1 96 LYS H 3.610 . 3.610 2.722 2.547 2.825 . 0 0 "[ . 1 . 2]" 1
1256 1 95 ILE H 1 98 LYS H 4.660 . 4.660 4.667 4.453 4.740 0.080 9 0 "[ . 1 . 2]" 1
1257 1 95 ILE HA 1 98 LYS H 4.690 . 4.690 3.579 3.103 3.960 . 0 0 "[ . 1 . 2]" 1
1258 1 95 ILE HA 1 98 LYS QB 5.230 . 5.230 2.791 2.150 3.509 . 0 0 "[ . 1 . 2]" 1
1259 1 95 ILE HA 1 99 LEU H 5.500 . 5.500 4.124 3.853 4.548 . 0 0 "[ . 1 . 2]" 1
1260 1 95 ILE HA 1 99 LEU HG 4.690 . 4.690 4.111 3.583 4.711 0.021 13 0 "[ . 1 . 2]" 1
1261 1 95 ILE HB 1 96 LYS H 3.550 . 3.550 2.474 2.273 2.656 . 0 0 "[ . 1 . 2]" 1
1262 1 95 ILE HB 1 96 LYS HA 4.720 . 4.720 4.132 3.949 4.504 . 0 0 "[ . 1 . 2]" 1
1263 1 95 ILE MD 1 96 LYS H 6.520 . 6.520 4.428 3.757 4.686 . 0 0 "[ . 1 . 2]" 1
1264 1 95 ILE HG12 1 96 LYS H 5.500 . 5.500 4.542 3.729 4.956 . 0 0 "[ . 1 . 2]" 1
1265 1 95 ILE HG13 1 96 LYS H 5.500 . 5.500 4.325 3.817 4.934 . 0 0 "[ . 1 . 2]" 1
1266 1 95 ILE MG 1 96 LYS H 5.030 . 5.030 3.451 2.961 3.666 . 0 0 "[ . 1 . 2]" 1
1267 1 95 ILE MG 1 96 LYS HA 5.460 . 5.460 3.537 3.039 3.906 . 0 0 "[ . 1 . 2]" 1
1268 1 95 ILE MG 1 98 LYS H 6.520 . 6.520 4.784 4.392 5.122 . 0 0 "[ . 1 . 2]" 1
1269 1 95 ILE MG 1 98 LYS QB 7.400 . 7.400 3.948 3.000 4.720 . 0 0 "[ . 1 . 2]" 1
1270 1 95 ILE MG 1 99 LEU H 6.520 . 6.520 4.171 3.922 4.686 . 0 0 "[ . 1 . 2]" 1
1271 1 95 ILE MG 1 99 LEU HB2 6.520 . 6.520 4.236 3.790 4.854 . 0 0 "[ . 1 . 2]" 1
1272 1 96 LYS H 1 96 LYS HB2 3.300 . 3.300 2.343 2.077 2.615 . 0 0 "[ . 1 . 2]" 1
1273 1 96 LYS H 1 96 LYS HB3 3.300 . 3.300 2.794 2.342 3.481 0.181 17 0 "[ . 1 . 2]" 1
1274 1 96 LYS H 1 96 LYS HD2 5.500 . 5.500 4.911 4.596 5.190 . 0 0 "[ . 1 . 2]" 1
1275 1 96 LYS H 1 96 LYS HD3 5.500 . 5.500 4.696 3.838 5.057 . 0 0 "[ . 1 . 2]" 1
1276 1 96 LYS H 1 96 LYS HG2 5.500 . 5.500 4.022 2.642 4.573 . 0 0 "[ . 1 . 2]" 1
1277 1 96 LYS H 1 96 LYS HG3 5.500 . 5.500 4.342 3.819 4.516 . 0 0 "[ . 1 . 2]" 1
1278 1 96 LYS H 1 97 LEU H 4.040 . 4.040 2.696 2.513 2.882 . 0 0 "[ . 1 . 2]" 1
1279 1 96 LYS H 1 98 LYS H 5.160 . 5.160 4.095 3.866 4.340 . 0 0 "[ . 1 . 2]" 1
1280 1 96 LYS HA 1 96 LYS HD2 5.500 . 5.500 3.837 2.151 4.547 . 0 0 "[ . 1 . 2]" 1
1281 1 96 LYS HA 1 96 LYS HD3 5.500 . 5.500 3.466 1.837 4.706 . 0 0 "[ . 1 . 2]" 1
1282 1 96 LYS HA 1 98 LYS H 5.500 . 5.500 4.471 4.171 4.742 . 0 0 "[ . 1 . 2]" 1
1283 1 96 LYS HA 1 99 LEU H 5.500 . 5.500 3.713 3.140 4.150 . 0 0 "[ . 1 . 2]" 1
1284 1 96 LYS HA 1 99 LEU HB2 3.920 . 3.920 2.998 2.350 3.903 . 0 0 "[ . 1 . 2]" 1
1285 1 96 LYS HA 1 99 LEU QD 8.070 . 8.070 2.711 2.011 3.647 . 0 0 "[ . 1 . 2]" 1
1286 1 96 LYS HA 1 99 LEU HG 5.500 . 5.500 4.027 3.258 4.955 . 0 0 "[ . 1 . 2]" 1
1287 1 96 LYS QB 1 97 LEU H 4.360 . 4.360 2.559 2.386 2.988 . 0 0 "[ . 1 . 2]" 1
1288 1 96 LYS HB2 1 97 LEU H 4.630 . 4.630 3.558 2.660 3.914 . 0 0 "[ . 1 . 2]" 1
1289 1 96 LYS HB3 1 97 LEU H 4.630 . 4.630 2.742 2.411 3.461 . 0 0 "[ . 1 . 2]" 1
1290 1 96 LYS HD2 1 97 LEU H 5.500 . 5.500 5.041 3.843 5.571 0.071 12 0 "[ . 1 . 2]" 1
1291 1 96 LYS HD3 1 97 LEU H 5.500 . 5.500 4.637 3.609 5.516 0.016 5 0 "[ . 1 . 2]" 1
1292 1 96 LYS HG2 1 97 LEU H 5.500 . 5.500 4.311 3.355 5.101 . 0 0 "[ . 1 . 2]" 1
1293 1 96 LYS HG3 1 97 LEU H 5.500 . 5.500 4.838 3.449 5.440 . 0 0 "[ . 1 . 2]" 1
1294 1 97 LEU H 1 97 LEU HB2 4.110 . 4.110 2.512 2.173 3.627 . 0 0 "[ . 1 . 2]" 1
1295 1 97 LEU H 1 97 LEU HB3 4.110 . 4.110 2.922 2.502 3.582 . 0 0 "[ . 1 . 2]" 1
1296 1 97 LEU H 1 97 LEU HG 5.470 . 5.470 4.092 1.969 4.572 . 0 0 "[ . 1 . 2]" 1
1297 1 97 LEU H 1 98 LYS H 3.700 . 3.700 2.556 2.365 2.827 . 0 0 "[ . 1 . 2]" 1
1298 1 97 LEU HA 1 97 LEU MD1 4.630 . 4.630 2.191 1.867 3.685 . 0 0 "[ . 1 . 2]" 1
1299 1 97 LEU HA 1 100 GLN H 4.480 . 4.480 3.380 2.887 3.634 . 0 0 "[ . 1 . 2]" 1
1300 1 97 LEU HA 1 100 GLN QB 4.520 . 4.520 2.832 2.099 3.961 . 0 0 "[ . 1 . 2]" 1
1301 1 97 LEU HA 1 100 GLN QG 6.380 . 6.380 3.181 1.961 4.553 . 0 0 "[ . 1 . 2]" 1
1302 1 97 LEU HA 1 102 TYR QD 7.630 . 7.630 3.547 2.498 4.432 . 0 0 "[ . 1 . 2]" 1
1303 1 97 LEU HA 1 102 TYR QE 7.630 . 7.630 4.685 3.729 5.821 . 0 0 "[ . 1 . 2]" 1
1304 1 97 LEU QB 1 102 TYR H 6.380 . 6.380 4.817 3.497 6.319 . 0 0 "[ . 1 . 2]" 1
1305 1 97 LEU QB 1 102 TYR QB 5.830 . 5.830 3.226 2.064 4.335 . 0 0 "[ . 1 . 2]" 1
1306 1 97 LEU QB 1 102 TYR QE 8.510 . 8.510 4.935 2.650 5.952 . 0 0 "[ . 1 . 2]" 1
1307 1 97 LEU HB2 1 102 TYR HB2 7.200 . 7.200 4.605 2.105 6.466 . 0 0 "[ . 1 . 2]" 1
1308 1 97 LEU HB2 1 102 TYR HB3 7.200 . 7.200 5.477 3.308 7.221 0.021 2 0 "[ . 1 . 2]" 1
1309 1 97 LEU HB2 1 102 TYR QD 7.630 . 7.630 4.647 2.441 5.515 . 0 0 "[ . 1 . 2]" 1
1310 1 97 LEU HB3 1 102 TYR HB2 7.200 . 7.200 3.736 2.091 5.749 . 0 0 "[ . 1 . 2]" 1
1311 1 97 LEU HB3 1 102 TYR HB3 7.200 . 7.200 4.620 2.910 6.209 . 0 0 "[ . 1 . 2]" 1
1312 1 97 LEU HB3 1 102 TYR QD 7.630 . 7.630 4.093 2.055 5.231 . 0 0 "[ . 1 . 2]" 1
1313 1 97 LEU MD1 1 98 LYS H 6.520 . 6.520 4.396 2.421 4.739 . 0 0 "[ . 1 . 2]" 1
1314 1 97 LEU MD1 1 100 GLN HB2 6.520 . 6.520 3.622 2.487 5.008 . 0 0 "[ . 1 . 2]" 1
1315 1 97 LEU MD1 1 100 GLN HB3 6.520 . 6.520 4.110 2.889 6.354 . 0 0 "[ . 1 . 2]" 1
1316 1 97 LEU MD1 1 100 GLN QG 7.400 . 7.400 3.637 2.054 5.212 . 0 0 "[ . 1 . 2]" 1
1317 1 97 LEU MD1 1 102 TYR HB2 6.520 . 6.520 3.370 2.064 5.040 . 0 0 "[ . 1 . 2]" 1
1318 1 97 LEU MD1 1 102 TYR HB3 6.520 . 6.520 3.866 2.640 5.954 . 0 0 "[ . 1 . 2]" 1
1319 1 97 LEU MD1 1 102 TYR QD 8.240 . 8.240 2.984 2.297 4.028 . 0 0 "[ . 1 . 2]" 1
1320 1 97 LEU MD1 1 102 TYR QE 8.530 . 8.530 3.571 2.329 5.332 . 0 0 "[ . 1 . 2]" 1
1321 1 97 LEU MD2 1 98 LYS H 6.520 . 6.520 4.324 3.767 5.134 . 0 0 "[ . 1 . 2]" 1
1322 1 97 LEU MD2 1 100 GLN QG 7.400 . 7.400 5.193 3.163 6.454 . 0 0 "[ . 1 . 2]" 1
1323 1 97 LEU MD2 1 102 TYR HB2 6.520 . 6.520 4.042 2.984 6.549 0.029 19 0 "[ . 1 . 2]" 1
1324 1 97 LEU MD2 1 102 TYR HB3 6.520 . 6.520 4.301 3.094 6.488 . 0 0 "[ . 1 . 2]" 1
1325 1 97 LEU MD2 1 102 TYR QD 8.650 . 8.650 4.110 2.963 5.008 . 0 0 "[ . 1 . 2]" 1
1326 1 97 LEU MD2 1 102 TYR QE 8.650 . 8.650 4.820 3.369 5.815 . 0 0 "[ . 1 . 2]" 1
1327 1 97 LEU MD2 1 112 MET ME 7.540 . 7.540 4.589 2.535 6.344 . 0 0 "[ . 1 . 2]" 1
1328 1 97 LEU HG 1 100 GLN QG 6.380 . 6.380 5.304 3.585 6.398 0.018 7 0 "[ . 1 . 2]" 1
1329 1 98 LYS H 1 98 LYS HB2 3.890 . 3.890 2.389 2.108 2.572 . 0 0 "[ . 1 . 2]" 1
1330 1 98 LYS H 1 98 LYS HB3 3.890 . 3.890 3.362 2.494 3.635 . 0 0 "[ . 1 . 2]" 1
1331 1 98 LYS HA 1 98 LYS HE2 5.500 . 5.500 4.408 2.646 5.676 0.176 12 0 "[ . 1 . 2]" 1
1332 1 98 LYS HA 1 98 LYS HE3 5.500 . 5.500 4.036 1.708 5.750 0.250 18 0 "[ . 1 . 2]" 1
1333 1 98 LYS QB 1 99 LEU H 3.680 . 3.680 2.729 2.360 2.917 . 0 0 "[ . 1 . 2]" 1
1334 1 98 LYS HB2 1 98 LYS HE2 5.500 . 5.500 4.294 1.925 5.102 . 0 0 "[ . 1 . 2]" 1
1335 1 98 LYS HB2 1 98 LYS HE3 5.500 . 5.500 4.225 2.942 5.492 . 0 0 "[ . 1 . 2]" 1
1336 1 98 LYS HB2 1 99 LEU H 4.230 . 4.230 3.087 2.434 3.979 . 0 0 "[ . 1 . 2]" 1
1337 1 98 LYS HB3 1 98 LYS HE2 5.500 . 5.500 3.913 1.998 5.209 . 0 0 "[ . 1 . 2]" 1
1338 1 98 LYS HB3 1 98 LYS HE3 5.500 . 5.500 3.728 1.855 4.936 . 0 0 "[ . 1 . 2]" 1
1339 1 98 LYS HB3 1 99 LEU H 4.230 . 4.230 3.424 2.413 3.926 . 0 0 "[ . 1 . 2]" 1
1340 1 98 LYS QD 1 99 LEU H 6.380 . 6.380 5.150 4.768 5.524 . 0 0 "[ . 1 . 2]" 1
1341 1 98 LYS HG2 1 99 LEU H 5.500 . 5.500 4.827 4.504 5.070 . 0 0 "[ . 1 . 2]" 1
1342 1 98 LYS HG3 1 99 LEU H 5.500 . 5.500 4.568 3.867 5.027 . 0 0 "[ . 1 . 2]" 1
1343 1 99 LEU H 1 99 LEU HB2 3.670 . 3.670 2.335 2.280 2.403 . 0 0 "[ . 1 . 2]" 1
1344 1 99 LEU H 1 99 LEU HB3 4.040 . 4.040 3.565 3.541 3.585 . 0 0 "[ . 1 . 2]" 1
1345 1 99 LEU H 1 99 LEU HG 4.630 . 4.630 2.593 2.420 2.823 . 0 0 "[ . 1 . 2]" 1
1346 1 99 LEU H 1 100 GLN H 3.360 . 3.360 2.579 2.462 2.690 . 0 0 "[ . 1 . 2]" 1
1347 1 99 LEU H 1 102 TYR H 5.500 . 5.500 5.122 4.803 5.509 0.009 19 0 "[ . 1 . 2]" 1
1348 1 99 LEU HB2 1 100 GLN H 4.880 . 4.880 3.083 2.791 3.411 . 0 0 "[ . 1 . 2]" 1
1349 1 99 LEU HB3 1 100 GLN H 5.190 . 5.190 3.832 3.588 4.047 . 0 0 "[ . 1 . 2]" 1
1350 1 99 LEU MD1 1 100 GLN H 6.520 . 6.520 4.876 4.642 5.152 . 0 0 "[ . 1 . 2]" 1
1351 1 99 LEU MD2 1 100 GLN H 6.520 . 6.520 4.777 4.695 4.857 . 0 0 "[ . 1 . 2]" 1
1352 1 100 GLN H 1 100 GLN HG2 5.410 . 5.410 3.408 2.099 4.679 . 0 0 "[ . 1 . 2]" 1
1353 1 100 GLN H 1 100 GLN QG 5.020 . 5.020 2.911 2.070 4.090 . 0 0 "[ . 1 . 2]" 1
1354 1 100 GLN H 1 100 GLN HG3 5.410 . 5.410 3.647 2.294 4.513 . 0 0 "[ . 1 . 2]" 1
1355 1 100 GLN H 1 101 GLY H 4.320 . 4.320 2.388 2.258 2.516 . 0 0 "[ . 1 . 2]" 1
1356 1 100 GLN H 1 102 TYR H 5.160 . 5.160 3.954 3.581 4.338 . 0 0 "[ . 1 . 2]" 1
1357 1 100 GLN H 1 102 TYR QD 7.630 . 7.630 4.082 3.492 5.139 . 0 0 "[ . 1 . 2]" 1
1358 1 100 GLN QB 1 102 TYR QD 8.510 . 8.510 2.635 1.857 4.441 . 0 0 "[ . 1 . 2]" 1
1359 1 100 GLN HB2 1 101 GLY H 5.500 . 5.500 3.543 2.907 4.342 . 0 0 "[ . 1 . 2]" 1
1360 1 100 GLN HB2 1 102 TYR QE 7.630 . 7.630 3.823 2.400 6.073 . 0 0 "[ . 1 . 2]" 1
1361 1 100 GLN HB3 1 101 GLY H 5.500 . 5.500 3.796 2.900 4.443 . 0 0 "[ . 1 . 2]" 1
1362 1 100 GLN HB3 1 102 TYR QE 7.630 . 7.630 3.611 2.307 7.650 0.020 19 0 "[ . 1 . 2]" 1
1363 1 100 GLN QG 1 101 GLY H 6.380 . 6.380 4.163 3.134 4.437 . 0 0 "[ . 1 . 2]" 1
1364 1 100 GLN QG 1 102 TYR QE 8.510 . 8.510 3.663 1.950 6.806 . 0 0 "[ . 1 . 2]" 1
1365 1 101 GLY H 1 102 TYR H 3.240 . 3.240 2.304 1.977 2.561 . 0 0 "[ . 1 . 2]" 1
1366 1 101 GLY H 1 102 TYR QD 7.630 . 7.630 3.688 3.062 4.389 . 0 0 "[ . 1 . 2]" 1
1367 1 102 TYR H 1 102 TYR HB2 3.760 . 3.760 2.669 2.277 3.661 . 0 0 "[ . 1 . 2]" 1
1368 1 102 TYR H 1 102 TYR QB 3.360 . 3.360 2.510 2.249 2.725 . 0 0 "[ . 1 . 2]" 1
1369 1 102 TYR H 1 102 TYR HB3 3.760 . 3.760 3.584 2.492 3.844 0.084 16 0 "[ . 1 . 2]" 1
1370 1 102 TYR H 1 103 GLN H 4.540 . 4.540 4.487 4.381 4.597 0.057 8 0 "[ . 1 . 2]" 1
1371 1 102 TYR HA 1 103 GLN H 3.170 . 3.170 2.374 2.202 2.608 . 0 0 "[ . 1 . 2]" 1
1372 1 102 TYR HA 1 103 GLN QB 5.640 . 5.640 4.179 3.757 4.794 . 0 0 "[ . 1 . 2]" 1
1373 1 102 TYR QB 1 103 GLN H 3.420 . 3.420 2.401 2.057 2.722 . 0 0 "[ . 1 . 2]" 1
1374 1 102 TYR HB2 1 103 GLN H 3.610 . 3.610 3.563 2.364 3.845 0.235 6 0 "[ . 1 . 2]" 1
1375 1 102 TYR HB3 1 103 GLN H 3.610 . 3.610 2.575 2.071 3.805 0.195 19 0 "[ . 1 . 2]" 1
1376 1 102 TYR QD 1 103 GLN H 7.630 . 7.630 3.418 2.658 4.201 . 0 0 "[ . 1 . 2]" 1
1377 1 105 PRO HA 1 106 SER H 3.020 . 3.020 2.668 2.413 2.760 . 0 0 "[ . 1 . 2]" 1
1378 1 105 PRO HA 1 106 SER HA 4.660 . 4.660 4.317 4.231 4.464 . 0 0 "[ . 1 . 2]" 1
1379 1 105 PRO HA 1 107 ALA H 4.110 . 4.110 4.102 3.860 4.160 0.050 11 0 "[ . 1 . 2]" 1
1380 1 105 PRO HB2 1 106 SER H 3.860 . 3.860 2.251 1.782 3.185 . 0 0 "[ . 1 . 2]" 1
1381 1 105 PRO HB2 1 107 ALA H 3.080 . 3.080 2.416 2.069 2.947 . 0 0 "[ . 1 . 2]" 1
1382 1 105 PRO HB3 1 107 ALA H 4.350 . 4.350 3.907 3.156 4.375 0.025 18 0 "[ . 1 . 2]" 1
1383 1 105 PRO QG 1 107 ALA H 5.430 . 5.430 3.409 2.256 4.418 . 0 0 "[ . 1 . 2]" 1
1384 1 105 PRO HG2 1 106 SER H 5.500 . 5.500 4.303 3.562 5.120 . 0 0 "[ . 1 . 2]" 1
1385 1 105 PRO HG3 1 106 SER H 5.500 . 5.500 4.655 4.370 4.873 . 0 0 "[ . 1 . 2]" 1
1386 1 106 SER H 1 106 SER HB2 3.830 . 3.830 2.970 2.370 3.652 . 0 0 "[ . 1 . 2]" 1
1387 1 106 SER H 1 106 SER QB 3.660 . 3.660 2.564 2.338 3.075 . 0 0 "[ . 1 . 2]" 1
1388 1 106 SER H 1 106 SER HB3 3.830 . 3.830 3.243 2.638 3.633 . 0 0 "[ . 1 . 2]" 1
1389 1 106 SER H 1 107 ALA H 3.110 . 3.110 2.544 1.871 2.741 . 0 0 "[ . 1 . 2]" 1
1390 1 106 SER H 1 107 ALA HA 5.040 . 5.040 5.073 4.612 5.137 0.097 17 0 "[ . 1 . 2]" 1
1391 1 106 SER H 1 107 ALA MB 6.520 . 6.520 4.122 3.673 4.273 . 0 0 "[ . 1 . 2]" 1
1392 1 106 SER QB 1 107 ALA H 4.040 . 4.040 3.561 3.072 3.864 . 0 0 "[ . 1 . 2]" 1
1393 1 106 SER HB2 1 107 ALA H 4.200 . 4.200 3.813 3.165 4.265 0.065 18 0 "[ . 1 . 2]" 1
1394 1 106 SER HB3 1 107 ALA H 4.200 . 4.200 4.326 4.139 4.434 0.234 16 0 "[ . 1 . 2]" 1
1395 1 107 ALA H 1 108 LEU H 4.480 . 4.480 4.157 3.910 4.442 . 0 0 "[ . 1 . 2]" 1
1396 1 107 ALA HA 1 108 LEU H 2.960 . 2.960 2.191 2.131 2.331 . 0 0 "[ . 1 . 2]" 1
1397 1 108 LEU H 1 108 LEU HB2 3.640 . 3.640 2.629 2.182 3.614 . 0 0 "[ . 1 . 2]" 1
1398 1 108 LEU H 1 108 LEU HB3 3.640 . 3.640 3.306 2.694 3.624 . 0 0 "[ . 1 . 2]" 1
1399 1 108 LEU H 1 108 LEU HG 4.260 . 4.260 2.895 1.666 4.481 0.221 15 0 "[ . 1 . 2]" 1
1400 1 108 LEU MD1 1 112 MET H 6.520 . 6.520 5.269 3.640 6.333 . 0 0 "[ . 1 . 2]" 1
1401 1 108 LEU MD1 1 112 MET QB 7.400 . 7.400 3.273 2.052 4.317 . 0 0 "[ . 1 . 2]" 1
1402 1 108 LEU MD1 1 112 MET QG 7.400 . 7.400 4.441 2.708 5.657 . 0 0 "[ . 1 . 2]" 1
1403 1 108 LEU MD2 1 112 MET HB2 6.520 . 6.520 4.023 2.067 6.150 . 0 0 "[ . 1 . 2]" 1
1404 1 108 LEU MD2 1 112 MET HB3 6.520 . 6.520 4.248 2.807 5.991 . 0 0 "[ . 1 . 2]" 1
1405 1 108 LEU MD2 1 112 MET HG2 6.520 . 6.520 5.309 4.281 6.566 0.046 5 0 "[ . 1 . 2]" 1
1406 1 108 LEU MD2 1 112 MET HG3 6.520 . 6.520 4.677 3.400 6.552 0.032 1 0 "[ . 1 . 2]" 1
1407 1 110 PRO HA 1 113 LYS H 4.380 . 4.380 3.547 3.155 3.927 . 0 0 "[ . 1 . 2]" 1
1408 1 110 PRO HA 1 113 LYS HD2 5.500 . 5.500 3.324 1.641 4.439 . 0 0 "[ . 1 . 2]" 1
1409 1 110 PRO HA 1 113 LYS HD3 5.500 . 5.500 3.353 2.185 4.334 . 0 0 "[ . 1 . 2]" 1
1410 1 110 PRO HA 1 113 LYS HE2 5.500 . 5.500 4.243 2.440 5.512 0.012 5 0 "[ . 1 . 2]" 1
1411 1 110 PRO HA 1 113 LYS HE3 5.500 . 5.500 4.010 1.904 5.555 0.055 1 0 "[ . 1 . 2]" 1
1412 1 110 PRO HA 1 113 LYS HG2 5.500 . 5.500 2.417 1.917 3.580 . 0 0 "[ . 1 . 2]" 1
1413 1 110 PRO HA 1 113 LYS HG3 5.500 . 5.500 2.706 2.038 3.434 . 0 0 "[ . 1 . 2]" 1
1414 1 110 PRO QB 1 111 VAL H 3.970 . 3.970 3.266 2.951 3.635 . 0 0 "[ . 1 . 2]" 1
1415 1 110 PRO QB 1 113 LYS QD 7.270 . 7.270 3.738 2.791 5.155 . 0 0 "[ . 1 . 2]" 1
1416 1 110 PRO HB2 1 111 VAL H 4.350 . 4.350 3.393 3.014 3.869 . 0 0 "[ . 1 . 2]" 1
1417 1 110 PRO HB3 1 111 VAL H 4.350 . 4.350 4.316 4.056 4.427 0.077 12 0 "[ . 1 . 2]" 1
1418 1 110 PRO HD2 1 111 VAL H 5.500 . 5.500 2.662 2.165 2.996 . 0 0 "[ . 1 . 2]" 1
1419 1 110 PRO HD3 1 111 VAL H 5.500 . 5.500 3.813 3.522 4.030 . 0 0 "[ . 1 . 2]" 1
1420 1 110 PRO HG2 1 111 VAL H 5.500 . 5.500 3.696 2.334 4.516 . 0 0 "[ . 1 . 2]" 1
1421 1 110 PRO HG3 1 111 VAL H 5.500 . 5.500 4.459 3.892 4.723 . 0 0 "[ . 1 . 2]" 1
1422 1 111 VAL H 1 111 VAL HB 3.080 . 3.080 2.641 2.474 3.101 0.021 1 0 "[ . 1 . 2]" 1
1423 1 111 VAL H 1 111 VAL MG2 4.410 . 4.410 2.074 1.675 3.753 . 0 0 "[ . 1 . 2]" 1
1424 1 111 VAL H 1 112 MET H 3.450 . 3.450 2.470 2.306 2.678 . 0 0 "[ . 1 . 2]" 1
1425 1 111 VAL H 1 113 LYS QD 6.380 . 6.380 5.527 4.499 6.350 . 0 0 "[ . 1 . 2]" 1
1426 1 111 VAL H 1 113 LYS HG2 5.500 . 5.500 4.702 4.019 5.580 0.080 13 0 "[ . 1 . 2]" 1
1427 1 111 VAL H 1 113 LYS HG3 5.500 . 5.500 5.121 4.051 5.551 0.051 3 0 "[ . 1 . 2]" 1
1428 1 111 VAL HA 1 113 LYS H 5.000 . 5.000 4.463 3.978 4.915 . 0 0 "[ . 1 . 2]" 1
1429 1 111 VAL HA 1 113 LYS QD 6.380 . 6.380 6.251 5.012 6.492 0.112 9 0 "[ . 1 . 2]" 1
1430 1 111 VAL HA 1 114 GLN H 5.040 . 5.040 3.565 3.250 4.219 . 0 0 "[ . 1 . 2]" 1
1431 1 111 VAL HA 1 114 GLN QB 5.170 . 5.170 5.110 4.175 5.253 0.083 19 0 "[ . 1 . 2]" 1
1432 1 111 VAL HA 1 114 GLN HG2 5.470 . 5.470 4.159 3.422 4.874 . 0 0 "[ . 1 . 2]" 1
1433 1 111 VAL HA 1 114 GLN QG 4.730 . 4.730 3.940 3.316 4.566 . 0 0 "[ . 1 . 2]" 1
1434 1 111 VAL HA 1 114 GLN HG3 5.470 . 5.470 4.967 4.448 5.510 0.040 16 0 "[ . 1 . 2]" 1
1435 1 111 VAL HB 1 112 MET H 3.950 . 3.950 2.964 2.630 4.054 0.104 17 0 "[ . 1 . 2]" 1
1436 1 111 VAL MG1 1 112 MET H 5.810 . 5.810 3.764 2.492 4.179 . 0 0 "[ . 1 . 2]" 1
1437 1 111 VAL MG1 1 113 LYS H 6.520 . 6.520 5.209 4.469 5.646 . 0 0 "[ . 1 . 2]" 1
1438 1 111 VAL MG1 1 114 GLN H 6.520 . 6.520 4.791 4.321 5.533 . 0 0 "[ . 1 . 2]" 1
1439 1 111 VAL MG1 1 114 GLN QB 7.400 . 7.400 5.509 4.796 6.487 . 0 0 "[ . 1 . 2]" 1
1440 1 111 VAL MG1 1 114 GLN HG2 6.520 . 6.520 4.276 3.833 5.065 . 0 0 "[ . 1 . 2]" 1
1441 1 111 VAL MG1 1 114 GLN HG3 6.520 . 6.520 5.035 4.554 6.007 . 0 0 "[ . 1 . 2]" 1
1442 1 111 VAL MG2 1 112 MET H 4.320 . 4.320 3.753 3.029 3.950 . 0 0 "[ . 1 . 2]" 1
1443 1 111 VAL MG2 1 112 MET HA 6.430 . 6.430 5.277 3.899 5.431 . 0 0 "[ . 1 . 2]" 1
1444 1 111 VAL MG2 1 112 MET QB 7.400 . 7.400 5.310 4.079 5.520 . 0 0 "[ . 1 . 2]" 1
1445 1 111 VAL MG2 1 112 MET HG2 6.520 . 6.520 5.379 4.017 6.651 0.131 1 0 "[ . 1 . 2]" 1
1446 1 111 VAL MG2 1 112 MET HG3 6.520 . 6.520 5.086 4.432 6.402 . 0 0 "[ . 1 . 2]" 1
1447 1 111 VAL MG2 1 113 LYS H 6.520 . 6.520 5.355 4.700 5.625 . 0 0 "[ . 1 . 2]" 1
1448 1 111 VAL MG2 1 114 GLN H 6.520 . 6.520 5.259 5.072 5.807 . 0 0 "[ . 1 . 2]" 1
1449 1 112 MET H 1 112 MET HB2 3.640 . 3.640 2.432 2.229 2.593 . 0 0 "[ . 1 . 2]" 1
1450 1 112 MET H 1 112 MET QB 3.420 . 3.420 2.388 2.205 2.537 . 0 0 "[ . 1 . 2]" 1
1451 1 112 MET H 1 112 MET HB3 3.640 . 3.640 3.559 2.689 3.662 0.022 20 0 "[ . 1 . 2]" 1
1452 1 112 MET H 1 112 MET HG2 4.760 . 4.760 3.354 2.640 4.511 . 0 0 "[ . 1 . 2]" 1
1453 1 112 MET H 1 112 MET QG 4.110 . 4.110 2.570 2.076 3.943 . 0 0 "[ . 1 . 2]" 1
1454 1 112 MET H 1 112 MET HG3 4.760 . 4.760 2.878 2.108 4.351 . 0 0 "[ . 1 . 2]" 1
1455 1 112 MET H 1 113 LYS H 3.270 . 3.270 2.455 2.206 2.695 . 0 0 "[ . 1 . 2]" 1
1456 1 112 MET H 1 113 LYS QB 6.380 . 6.380 4.806 4.471 5.113 . 0 0 "[ . 1 . 2]" 1
1457 1 112 MET H 1 113 LYS QD 6.380 . 6.380 5.268 4.232 5.823 . 0 0 "[ . 1 . 2]" 1
1458 1 112 MET H 1 113 LYS QG 6.070 . 6.070 3.598 3.090 3.883 . 0 0 "[ . 1 . 2]" 1
1459 1 112 MET H 1 114 GLN H 4.850 . 4.850 3.663 3.253 4.131 . 0 0 "[ . 1 . 2]" 1
1460 1 112 MET QG 1 113 LYS H 5.330 . 5.330 4.112 3.804 4.349 . 0 0 "[ . 1 . 2]" 1
1461 1 112 MET HG2 1 113 LYS H 5.500 . 5.500 4.834 4.441 5.026 . 0 0 "[ . 1 . 2]" 1
1462 1 112 MET HG3 1 113 LYS H 5.500 . 5.500 4.519 4.009 5.135 . 0 0 "[ . 1 . 2]" 1
1463 1 113 LYS H 1 113 LYS HB2 3.830 . 3.830 3.543 2.671 3.732 . 0 0 "[ . 1 . 2]" 1
1464 1 113 LYS H 1 113 LYS QB 3.630 . 3.630 2.710 2.602 2.896 . 0 0 "[ . 1 . 2]" 1
1465 1 113 LYS H 1 113 LYS HB3 3.830 . 3.830 2.881 2.686 3.583 . 0 0 "[ . 1 . 2]" 1
1466 1 113 LYS H 1 113 LYS HD2 5.500 . 5.500 4.084 3.062 4.748 . 0 0 "[ . 1 . 2]" 1
1467 1 113 LYS H 1 113 LYS HD3 5.500 . 5.500 4.401 3.455 4.850 . 0 0 "[ . 1 . 2]" 1
1468 1 113 LYS H 1 113 LYS HG2 5.500 . 5.500 2.265 1.646 3.319 . 0 0 "[ . 1 . 2]" 1
1469 1 113 LYS H 1 113 LYS HG3 5.500 . 5.500 2.750 1.621 3.349 . 0 0 "[ . 1 . 2]" 1
1470 1 113 LYS H 1 114 GLN H 3.140 . 3.140 2.320 1.986 2.618 . 0 0 "[ . 1 . 2]" 1
1471 1 113 LYS H 1 114 GLN QB 5.730 . 5.730 5.069 4.609 5.308 . 0 0 "[ . 1 . 2]" 1
1472 1 113 LYS H 1 114 GLN HG2 5.500 . 5.500 5.137 3.820 5.567 0.067 3 0 "[ . 1 . 2]" 1
1473 1 113 LYS H 1 114 GLN HG3 5.500 . 5.500 4.601 3.937 5.579 0.079 19 0 "[ . 1 . 2]" 1
1474 1 113 LYS HA 1 113 LYS HD2 5.500 . 5.500 4.742 2.404 5.536 0.036 8 0 "[ . 1 . 2]" 1
1475 1 113 LYS HA 1 113 LYS HD3 5.500 . 5.500 4.939 4.008 5.532 0.032 2 0 "[ . 1 . 2]" 1
1476 1 113 LYS HB2 1 113 LYS HE2 5.500 . 5.500 3.347 1.936 4.622 . 0 0 "[ . 1 . 2]" 1
1477 1 113 LYS HB2 1 113 LYS HE3 5.500 . 5.500 3.404 1.886 5.023 . 0 0 "[ . 1 . 2]" 1
1478 1 113 LYS HB2 1 114 GLN H 5.040 . 5.040 3.869 2.503 4.192 . 0 0 "[ . 1 . 2]" 1
1479 1 113 LYS HB3 1 113 LYS HE2 5.500 . 5.500 3.605 2.016 5.014 . 0 0 "[ . 1 . 2]" 1
1480 1 113 LYS HB3 1 113 LYS HE3 5.500 . 5.500 3.539 2.043 4.875 . 0 0 "[ . 1 . 2]" 1
1481 1 113 LYS HB3 1 114 GLN H 5.040 . 5.040 4.153 3.853 4.316 . 0 0 "[ . 1 . 2]" 1
1482 1 113 LYS HD2 1 114 GLN H 5.500 . 5.500 4.762 2.901 5.478 . 0 0 "[ . 1 . 2]" 1
1483 1 113 LYS HD3 1 114 GLN H 5.500 . 5.500 4.898 2.688 5.689 0.189 13 0 "[ . 1 . 2]" 1
1484 1 113 LYS HG2 1 114 GLN H 5.500 . 5.500 3.412 2.464 4.729 . 0 0 "[ . 1 . 2]" 1
1485 1 113 LYS HG3 1 114 GLN H 5.500 . 5.500 2.885 1.804 4.350 . 0 0 "[ . 1 . 2]" 1
1486 1 114 GLN H 1 114 GLN HB2 4.010 . 4.010 3.576 3.466 3.656 . 0 0 "[ . 1 . 2]" 1
1487 1 114 GLN H 1 114 GLN QB 3.730 . 3.730 3.308 2.520 3.404 . 0 0 "[ . 1 . 2]" 1
1488 1 114 GLN H 1 114 GLN HB3 4.010 . 4.010 3.975 2.571 4.092 0.082 10 0 "[ . 1 . 2]" 1
1489 1 114 GLN H 1 114 GLN HG2 5.500 . 5.500 3.332 2.170 3.772 . 0 0 "[ . 1 . 2]" 1
1490 1 114 GLN H 1 114 GLN HG3 5.500 . 5.500 3.106 2.629 4.347 . 0 0 "[ . 1 . 2]" 1
1491 1 114 GLN H 1 115 GLN H 5.250 . 5.250 4.388 2.984 4.653 . 0 0 "[ . 1 . 2]" 1
1492 1 114 GLN HA 1 115 GLN H 2.960 . 2.960 2.744 2.204 3.391 0.431 1 0 "[ . 1 . 2]" 1
1493 1 114 GLN QB 1 115 GLN H 3.530 . 3.530 2.061 1.690 2.971 . 0 0 "[ . 1 . 2]" 1
1494 1 114 GLN HB2 1 115 GLN H 3.700 . 3.700 2.965 1.729 3.753 0.053 4 0 "[ . 1 . 2]" 1
1495 1 114 GLN HB3 1 115 GLN H 3.700 . 3.700 2.271 1.712 3.827 0.127 10 0 "[ . 1 . 2]" 1
1496 1 114 GLN HG2 1 115 GLN H 5.500 . 5.500 4.231 3.888 5.084 . 0 0 "[ . 1 . 2]" 1
1497 1 114 GLN HG3 1 115 GLN H 5.500 . 5.500 4.530 4.023 4.928 . 0 0 "[ . 1 . 2]" 1
1498 1 115 GLN H 1 115 GLN HB2 3.860 . 3.860 3.117 2.252 3.942 0.082 3 0 "[ . 1 . 2]" 1
1499 1 115 GLN H 1 115 GLN HB3 3.210 . 3.210 2.785 2.424 3.500 0.290 19 0 "[ . 1 . 2]" 1
1500 1 115 GLN H 1 115 GLN HG2 5.500 . 5.500 4.274 2.676 4.910 . 0 0 "[ . 1 . 2]" 1
1501 1 115 GLN H 1 115 GLN HG3 5.500 . 5.500 4.481 3.308 4.863 . 0 0 "[ . 1 . 2]" 1
1502 1 115 GLN HA 1 116 PRO HD2 3.980 . 3.980 2.534 1.937 4.034 0.054 13 0 "[ . 1 . 2]" 1
1503 1 115 GLN HA 1 116 PRO QD 3.620 . 3.620 2.050 1.772 3.579 . 0 0 "[ . 1 . 2]" 1
1504 1 115 GLN HA 1 116 PRO HD3 3.980 . 3.980 2.292 1.798 4.002 0.022 13 0 "[ . 1 . 2]" 1
1505 1 115 GLN HB2 1 116 PRO QD 6.390 . 6.390 3.622 1.854 4.219 . 0 0 "[ . 1 . 2]" 1
1506 1 115 GLN HB3 1 116 PRO HD2 5.500 . 5.500 4.318 2.432 5.398 . 0 0 "[ . 1 . 2]" 1
1507 1 115 GLN HB3 1 116 PRO HD3 5.500 . 5.500 4.485 1.672 5.144 . 0 0 "[ . 1 . 2]" 1
1508 1 115 GLN HG2 1 116 PRO HD2 5.500 . 5.500 3.967 2.608 5.655 0.155 11 0 "[ . 1 . 2]" 1
1509 1 115 GLN HG2 1 116 PRO HD3 5.500 . 5.500 4.692 3.520 5.532 0.032 19 0 "[ . 1 . 2]" 1
1510 1 115 GLN HG3 1 116 PRO HD2 5.500 . 5.500 3.327 2.325 5.441 . 0 0 "[ . 1 . 2]" 1
1511 1 115 GLN HG3 1 116 PRO HD3 5.500 . 5.500 4.160 2.987 5.267 . 0 0 "[ . 1 . 2]" 1
1512 1 116 PRO HA 1 117 VAL H 2.930 . 2.930 2.247 2.089 2.803 . 0 0 "[ . 1 . 2]" 1
1513 1 116 PRO QB 1 117 VAL H 4.360 . 4.360 3.161 1.870 3.908 . 0 0 "[ . 1 . 2]" 1
1514 1 116 PRO HB2 1 117 VAL H 4.540 . 4.540 3.511 1.881 4.301 . 0 0 "[ . 1 . 2]" 1
1515 1 116 PRO HB3 1 117 VAL H 4.540 . 4.540 3.715 2.660 4.486 . 0 0 "[ . 1 . 2]" 1
1516 1 116 PRO HG2 1 117 VAL H 5.500 . 5.500 5.176 3.596 5.693 0.193 12 0 "[ . 1 . 2]" 1
1517 1 116 PRO HG3 1 117 VAL H 5.500 . 5.500 5.220 4.462 5.659 0.159 6 0 "[ . 1 . 2]" 1
1518 1 117 VAL H 1 117 VAL HB 3.860 . 3.860 3.465 2.692 3.828 . 0 0 "[ . 1 . 2]" 1
1519 1 117 VAL H 1 118 ALA MB 6.520 . 6.520 5.020 4.141 5.715 . 0 0 "[ . 1 . 2]" 1
1520 1 117 VAL HA 1 118 ALA H 2.740 . 2.740 2.171 2.084 2.470 . 0 0 "[ . 1 . 2]" 1
1521 1 117 VAL HA 1 118 ALA MB 6.520 . 6.520 4.024 3.854 4.331 . 0 0 "[ . 1 . 2]" 1
1522 1 117 VAL HB 1 118 ALA H 3.640 . 3.640 3.383 2.271 3.914 0.274 6 0 "[ . 1 . 2]" 1
1523 1 117 VAL QG 1 118 ALA HA 6.830 . 6.830 3.979 3.010 4.513 . 0 0 "[ . 1 . 2]" 1
1524 1 117 VAL MG1 1 118 ALA H 6.520 . 6.520 3.695 2.282 4.054 . 0 0 "[ . 1 . 2]" 1
1525 1 117 VAL MG2 1 118 ALA H 6.520 . 6.520 3.742 2.276 4.256 . 0 0 "[ . 1 . 2]" 1
1526 1 118 ALA H 1 119 ILE H 4.040 . 4.040 3.124 1.915 4.074 0.034 12 0 "[ . 1 . 2]" 1
1527 1 119 ILE H 1 119 ILE HB 3.330 . 3.330 2.820 2.520 3.541 0.211 9 0 "[ . 1 . 2]" 1
1528 1 119 ILE H 1 119 ILE HG12 4.720 . 4.720 3.749 2.398 4.486 . 0 0 "[ . 1 . 2]" 1
1529 1 119 ILE H 1 119 ILE QG 4.550 . 4.550 3.195 2.260 4.100 . 0 0 "[ . 1 . 2]" 1
1530 1 119 ILE H 1 119 ILE HG13 4.720 . 4.720 3.818 2.286 4.744 0.024 7 0 "[ . 1 . 2]" 1
1531 1 119 ILE H 1 120 SER H 4.450 . 4.450 3.715 2.194 4.479 0.029 6 0 "[ . 1 . 2]" 1
1532 1 119 ILE MG 1 120 SER H 6.520 . 6.520 3.570 2.274 4.234 . 0 0 "[ . 1 . 2]" 1
1533 1 120 SER H 1 121 SER H 5.190 . 5.190 3.759 1.807 4.575 . 0 0 "[ . 1 . 2]" 1
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