NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
450049 |
2pp4   |
7396 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2pp4
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 1474
_Distance_constraint_stats_list.Viol_count 2061
_Distance_constraint_stats_list.Viol_total 2352.131
_Distance_constraint_stats_list.Viol_max 0.393
_Distance_constraint_stats_list.Viol_rms 0.0197
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0040
_Distance_constraint_stats_list.Viol_average_violations_only 0.0571
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ALA 2.961 0.239 14 0 "[ . 1 . 2]"
1 3 ARG 2.961 0.239 14 0 "[ . 1 . 2]"
1 4 GLN 2.253 0.286 16 0 "[ . 1 . 2]"
1 5 LEU 2.281 0.347 10 0 "[ . 1 . 2]"
1 6 SER 1.972 0.353 8 0 "[ . 1 . 2]"
1 7 LYS 4.006 0.353 8 0 "[ . 1 . 2]"
1 8 LEU 3.225 0.123 12 0 "[ . 1 . 2]"
1 9 LYS 2.991 0.168 5 0 "[ . 1 . 2]"
1 10 ARG 1.083 0.168 5 0 "[ . 1 . 2]"
1 11 PHE 0.648 0.092 17 0 "[ . 1 . 2]"
1 12 LEU 1.624 0.113 20 0 "[ . 1 . 2]"
1 13 THR 1.054 0.187 13 0 "[ . 1 . 2]"
1 14 THR 1.229 0.130 5 0 "[ . 1 . 2]"
1 15 LEU 2.644 0.199 1 0 "[ . 1 . 2]"
1 16 GLN 0.883 0.187 13 0 "[ . 1 . 2]"
1 17 GLN 1.092 0.156 19 0 "[ . 1 . 2]"
1 18 TYR 0.805 0.097 1 0 "[ . 1 . 2]"
1 19 GLY 2.874 0.197 1 0 "[ . 1 . 2]"
1 20 ASN 4.702 0.187 3 0 "[ . 1 . 2]"
1 21 ASP 0.095 0.051 11 0 "[ . 1 . 2]"
1 22 ILE 3.912 0.156 9 0 "[ . 1 . 2]"
1 23 SER 2.637 0.178 8 0 "[ . 1 . 2]"
1 24 PRO 1.730 0.178 8 0 "[ . 1 . 2]"
1 25 GLU 0.832 0.141 20 0 "[ . 1 . 2]"
1 26 ILE 11.814 0.255 12 0 "[ . 1 . 2]"
1 27 GLY 3.021 0.187 3 0 "[ . 1 . 2]"
1 28 GLU 2.476 0.197 8 0 "[ . 1 . 2]"
1 29 ARG 0.358 0.096 1 0 "[ . 1 . 2]"
1 30 VAL 2.366 0.185 17 0 "[ . 1 . 2]"
1 31 ARG 5.703 0.278 6 0 "[ . 1 . 2]"
1 32 THR 4.099 0.204 17 0 "[ . 1 . 2]"
1 33 LEU 4.944 0.144 7 0 "[ . 1 . 2]"
1 34 VAL 1.673 0.136 19 0 "[ . 1 . 2]"
1 35 LEU 4.246 0.278 6 0 "[ . 1 . 2]"
1 36 GLY 0.693 0.094 8 0 "[ . 1 . 2]"
1 37 LEU 3.184 0.165 11 0 "[ . 1 . 2]"
1 38 VAL 1.030 0.137 14 0 "[ . 1 . 2]"
1 39 ASN 2.409 0.217 17 0 "[ . 1 . 2]"
1 40 SER 1.359 0.102 10 0 "[ . 1 . 2]"
1 41 THR 4.190 0.226 3 0 "[ . 1 . 2]"
1 42 LEU 4.790 0.226 3 0 "[ . 1 . 2]"
1 43 THR 0.453 0.178 11 0 "[ . 1 . 2]"
1 44 ILE 3.794 0.165 11 0 "[ . 1 . 2]"
1 45 GLU 0.933 0.129 4 0 "[ . 1 . 2]"
1 46 GLU 1.105 0.178 11 0 "[ . 1 . 2]"
1 47 PHE 1.990 0.074 4 0 "[ . 1 . 2]"
1 48 HIS 0.792 0.106 15 0 "[ . 1 . 2]"
1 49 SER 1.040 0.098 17 0 "[ . 1 . 2]"
1 50 LYS 3.524 0.145 20 0 "[ . 1 . 2]"
1 51 LEU 3.882 0.112 18 0 "[ . 1 . 2]"
1 52 GLN 3.128 0.244 11 0 "[ . 1 . 2]"
1 53 GLU 0.018 0.018 13 0 "[ . 1 . 2]"
1 54 ALA 4.543 0.212 8 0 "[ . 1 . 2]"
1 55 THR 0.414 0.056 8 0 "[ . 1 . 2]"
1 56 ASN 0.601 0.152 2 0 "[ . 1 . 2]"
1 57 PHE 0.008 0.008 4 0 "[ . 1 . 2]"
1 58 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LEU 1.774 0.244 11 0 "[ . 1 . 2]"
1 60 ARG 0.336 0.082 17 0 "[ . 1 . 2]"
1 61 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 PHE 0.693 0.082 17 0 "[ . 1 . 2]"
1 63 VAL 2.742 0.160 4 0 "[ . 1 . 2]"
1 64 ILE 1.454 0.129 4 0 "[ . 1 . 2]"
1 65 PRO 1.302 0.093 16 0 "[ . 1 . 2]"
1 66 PHE 2.329 0.160 4 0 "[ . 1 . 2]"
1 67 LEU 5.198 0.109 20 0 "[ . 1 . 2]"
1 68 LYS 4.606 0.119 10 0 "[ . 1 . 2]"
1 69 ALA 3.316 0.205 7 0 "[ . 1 . 2]"
1 70 ASN 2.581 0.393 17 0 "[ . 1 . 2]"
1 71 LEU 1.941 0.118 18 0 "[ . 1 . 2]"
1 72 PRO 1.245 0.103 1 0 "[ . 1 . 2]"
1 73 LEU 5.017 0.347 10 0 "[ . 1 . 2]"
1 74 LEU 2.001 0.159 5 0 "[ . 1 . 2]"
1 75 GLN 1.566 0.125 20 0 "[ . 1 . 2]"
1 76 ARG 0.769 0.105 20 0 "[ . 1 . 2]"
1 77 GLU 0.137 0.044 15 0 "[ . 1 . 2]"
1 78 LEU 0.861 0.088 18 0 "[ . 1 . 2]"
1 79 LEU 1.839 0.105 20 0 "[ . 1 . 2]"
1 80 HIS 0.226 0.044 15 0 "[ . 1 . 2]"
1 81 CYS 0.053 0.035 14 0 "[ . 1 . 2]"
1 82 ALA 0.797 0.215 3 0 "[ . 1 . 2]"
1 83 ARG 0.961 0.215 3 0 "[ . 1 . 2]"
1 84 LEU 0.417 0.279 14 0 "[ . 1 . 2]"
1 85 ALA 1.252 0.139 5 0 "[ . 1 . 2]"
1 86 LYS 0.221 0.103 6 0 "[ . 1 . 2]"
1 87 GLN 2.791 0.139 5 0 "[ . 1 . 2]"
1 88 ASN 1.647 0.167 1 0 "[ . 1 . 2]"
1 89 PRO 1.353 0.132 9 0 "[ . 1 . 2]"
1 90 ALA 1.819 0.129 3 0 "[ . 1 . 2]"
1 91 GLN 2.353 0.224 1 0 "[ . 1 . 2]"
1 92 TYR 3.952 0.292 20 0 "[ . 1 . 2]"
1 93 LEU 2.501 0.292 20 0 "[ . 1 . 2]"
1 94 ALA 1.710 0.224 1 0 "[ . 1 . 2]"
1 95 GLN 0.917 0.146 7 0 "[ . 1 . 2]"
1 96 HIS 0.005 0.005 7 0 "[ . 1 . 2]"
1 97 GLU 3.289 0.175 8 0 "[ . 1 . 2]"
1 98 GLN 3.476 0.310 11 0 "[ . 1 . 2]"
1 99 LEU 0.000 0.000 3 0 "[ . 1 . 2]"
1 100 LEU 9.109 0.310 11 0 "[ . 1 . 2]"
1 101 LEU 0.489 0.131 18 0 "[ . 1 . 2]"
1 102 ASP 0.690 0.091 1 0 "[ . 1 . 2]"
1 103 ALA 2.256 0.165 11 0 "[ . 1 . 2]"
1 104 SER 1.781 0.156 5 0 "[ . 1 . 2]"
1 105 THR 1.804 0.165 11 0 "[ . 1 . 2]"
1 106 THR 0.022 0.022 15 0 "[ . 1 . 2]"
1 107 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 2 ALA HA 1 3 ARG QD 4.570 . 4.570 4.467 4.143 4.693 0.123 16 0 "[ . 1 . 2]" 1
2 1 2 ALA HA 1 3 ARG QG 5.030 . 5.030 5.124 4.903 5.269 0.239 14 0 "[ . 1 . 2]" 1
3 1 2 ALA MB 1 3 ARG HA 4.240 . 4.240 3.807 3.653 4.042 . 0 0 "[ . 1 . 2]" 1
4 1 2 ALA MB 1 3 ARG QD 4.400 . 4.400 2.995 2.097 4.419 0.019 7 0 "[ . 1 . 2]" 1
5 1 3 ARG HA 1 3 ARG QD 4.060 . 4.060 3.001 1.889 3.800 . 0 0 "[ . 1 . 2]" 1
6 1 3 ARG HA 1 3 ARG QG 3.540 . 3.540 2.731 2.031 3.512 . 0 0 "[ . 1 . 2]" 1
7 1 3 ARG QB 1 3 ARG QD 3.320 . 3.320 2.480 1.982 2.893 . 0 0 "[ . 1 . 2]" 1
8 1 3 ARG QB 1 4 GLN H 4.190 . 4.190 2.380 2.008 3.523 . 0 0 "[ . 1 . 2]" 1
9 1 3 ARG HB2 1 3 ARG QD 3.890 . 3.890 2.911 2.006 3.491 . 0 0 "[ . 1 . 2]" 1
10 1 3 ARG HB2 1 4 GLN H 4.910 . 4.910 2.431 2.025 3.813 . 0 0 "[ . 1 . 2]" 1
11 1 3 ARG HB3 1 3 ARG QD 3.890 . 3.890 3.030 2.163 3.619 . 0 0 "[ . 1 . 2]" 1
12 1 3 ARG HB3 1 4 GLN H 4.910 . 4.910 3.544 3.149 4.142 . 0 0 "[ . 1 . 2]" 1
13 1 4 GLN H 1 4 GLN QG 4.870 . 4.870 3.238 1.833 4.042 . 0 0 "[ . 1 . 2]" 1
14 1 4 GLN H 1 5 LEU H 4.200 . 4.200 2.618 2.409 2.795 . 0 0 "[ . 1 . 2]" 1
15 1 4 GLN HA 1 4 GLN QG 3.750 . 3.750 2.874 2.265 3.411 . 0 0 "[ . 1 . 2]" 1
16 1 4 GLN HA 1 7 LYS QB 4.080 . 4.080 2.532 1.796 3.906 0.004 3 0 "[ . 1 . 2]" 1
17 1 4 GLN HA 1 7 LYS HE2 5.500 . 5.500 4.665 3.872 5.537 0.037 15 0 "[ . 1 . 2]" 1
18 1 4 GLN HA 1 7 LYS HE3 5.500 . 5.500 4.635 3.753 5.582 0.082 1 0 "[ . 1 . 2]" 1
19 1 4 GLN HA 1 7 LYS QG 4.160 . 4.160 2.823 1.786 3.815 0.014 9 0 "[ . 1 . 2]" 1
20 1 4 GLN HA 1 73 LEU QD 4.970 . 4.970 3.569 2.691 4.495 . 0 0 "[ . 1 . 2]" 1
21 1 4 GLN QB 1 5 LEU H 3.860 . 3.860 2.937 2.096 3.677 . 0 0 "[ . 1 . 2]" 1
22 1 4 GLN QB 1 73 LEU QB 4.000 . 4.000 3.574 2.627 4.009 0.009 14 0 "[ . 1 . 2]" 1
23 1 4 GLN QB 1 73 LEU QD 3.430 . 3.430 2.192 1.908 3.287 . 0 0 "[ . 1 . 2]" 1
24 1 4 GLN QG 1 7 LYS QB 4.420 . 4.420 4.270 2.895 4.706 0.286 16 0 "[ . 1 . 2]" 1
25 1 5 LEU H 1 5 LEU HB2 4.040 . 4.040 2.331 2.216 2.506 . 0 0 "[ . 1 . 2]" 1
26 1 5 LEU H 1 5 LEU HB3 4.040 . 4.040 2.695 2.533 2.912 . 0 0 "[ . 1 . 2]" 1
27 1 5 LEU H 1 5 LEU QD 5.030 . 5.030 3.797 3.740 3.849 . 0 0 "[ . 1 . 2]" 1
28 1 5 LEU H 1 6 SER H 3.930 . 3.930 2.866 2.685 3.035 . 0 0 "[ . 1 . 2]" 1
29 1 5 LEU H 1 73 LEU QD 5.140 . 5.140 5.238 5.070 5.487 0.347 10 0 "[ . 1 . 2]" 1
30 1 5 LEU HA 1 5 LEU MD1 4.400 . 4.400 3.894 3.807 3.933 . 0 0 "[ . 1 . 2]" 1
31 1 5 LEU HA 1 5 LEU QD 3.190 . 3.190 2.729 2.111 2.935 . 0 0 "[ . 1 . 2]" 1
32 1 5 LEU HA 1 5 LEU MD2 4.400 . 4.400 2.791 2.121 3.031 . 0 0 "[ . 1 . 2]" 1
33 1 5 LEU HA 1 5 LEU HG 4.010 . 4.010 2.754 2.624 3.354 . 0 0 "[ . 1 . 2]" 1
34 1 5 LEU HA 1 8 LEU H 4.390 . 4.390 3.460 3.142 3.710 . 0 0 "[ . 1 . 2]" 1
35 1 5 LEU HA 1 8 LEU QB 4.050 . 4.050 2.671 2.205 3.050 . 0 0 "[ . 1 . 2]" 1
36 1 5 LEU HA 1 8 LEU MD2 3.710 . 3.710 3.358 2.796 3.750 0.040 11 0 "[ . 1 . 2]" 1
37 1 5 LEU QB 1 6 SER H 3.500 . 3.500 2.320 2.122 2.436 . 0 0 "[ . 1 . 2]" 1
38 1 5 LEU QB 1 6 SER HA 4.850 . 4.850 4.103 3.887 4.245 . 0 0 "[ . 1 . 2]" 1
39 1 5 LEU HB2 1 6 SER H 3.990 . 3.990 3.631 3.414 3.763 . 0 0 "[ . 1 . 2]" 1
40 1 5 LEU HB3 1 6 SER H 3.990 . 3.990 2.348 2.142 2.472 . 0 0 "[ . 1 . 2]" 1
41 1 5 LEU QD 1 6 SER HA 4.620 . 4.620 3.168 2.802 3.584 . 0 0 "[ . 1 . 2]" 1
42 1 5 LEU QD 1 9 LYS H 4.680 . 4.680 3.620 3.269 3.921 . 0 0 "[ . 1 . 2]" 1
43 1 5 LEU QD 1 9 LYS HA 5.050 . 5.050 4.656 4.347 5.052 0.002 7 0 "[ . 1 . 2]" 1
44 1 5 LEU QD 1 9 LYS QB 4.320 . 4.320 2.850 2.295 3.223 . 0 0 "[ . 1 . 2]" 1
45 1 5 LEU QD 1 9 LYS QE 4.400 . 4.400 3.682 2.461 4.438 0.038 6 0 "[ . 1 . 2]" 1
46 1 5 LEU HG 1 9 LYS QB 5.500 . 5.500 5.172 4.595 5.540 0.040 6 0 "[ . 1 . 2]" 1
47 1 6 SER H 1 6 SER QB 3.750 . 3.750 2.472 2.198 2.728 . 0 0 "[ . 1 . 2]" 1
48 1 6 SER H 1 7 LYS H 4.200 . 4.200 2.733 2.353 3.068 . 0 0 "[ . 1 . 2]" 1
49 1 6 SER HA 1 7 LYS QB 5.500 . 5.500 5.349 4.748 5.583 0.083 7 0 "[ . 1 . 2]" 1
50 1 6 SER HA 1 7 LYS HG3 5.310 . 5.310 5.374 5.201 5.663 0.353 8 0 "[ . 1 . 2]" 1
51 1 6 SER HA 1 9 LYS QD 4.190 . 4.190 3.579 2.341 4.289 0.099 12 0 "[ . 1 . 2]" 1
52 1 6 SER HA 1 9 LYS QE 4.270 . 4.270 3.759 2.607 4.292 0.022 11 0 "[ . 1 . 2]" 1
53 1 6 SER QB 1 7 LYS H 4.260 . 4.260 3.271 2.566 3.928 . 0 0 "[ . 1 . 2]" 1
54 1 7 LYS H 1 7 LYS QD 5.500 . 5.500 4.172 3.814 4.852 . 0 0 "[ . 1 . 2]" 1
55 1 7 LYS H 1 8 LEU H 3.940 . 3.940 2.236 1.785 3.305 0.015 20 0 "[ . 1 . 2]" 1
56 1 7 LYS QB 1 7 LYS QE 4.050 . 4.050 2.722 1.770 3.677 0.030 1 0 "[ . 1 . 2]" 1
57 1 7 LYS QB 1 8 LEU H 4.150 . 4.150 2.787 2.442 3.622 . 0 0 "[ . 1 . 2]" 1
58 1 7 LYS QD 1 8 LEU H 4.960 . 4.960 4.610 3.614 4.989 0.029 19 0 "[ . 1 . 2]" 1
59 1 8 LEU H 1 8 LEU HB2 3.880 . 3.880 2.567 2.305 2.816 . 0 0 "[ . 1 . 2]" 1
60 1 8 LEU H 1 8 LEU QB 3.400 . 3.400 2.189 2.092 2.281 . 0 0 "[ . 1 . 2]" 1
61 1 8 LEU H 1 8 LEU HB3 3.880 . 3.880 2.399 2.196 2.556 . 0 0 "[ . 1 . 2]" 1
62 1 8 LEU H 1 8 LEU MD1 4.310 . 4.310 4.192 3.996 4.323 0.013 9 0 "[ . 1 . 2]" 1
63 1 8 LEU H 1 8 LEU MD2 4.900 . 4.900 4.084 3.760 4.247 . 0 0 "[ . 1 . 2]" 1
64 1 8 LEU H 1 8 LEU HG 4.710 . 4.710 4.410 4.327 4.541 . 0 0 "[ . 1 . 2]" 1
65 1 8 LEU HA 1 8 LEU MD1 3.710 . 3.710 2.742 2.317 3.578 . 0 0 "[ . 1 . 2]" 1
66 1 8 LEU HA 1 8 LEU MD2 4.660 . 4.660 3.840 3.587 3.943 . 0 0 "[ . 1 . 2]" 1
67 1 8 LEU HA 1 11 PHE QB 4.070 . 4.070 2.454 2.039 3.051 . 0 0 "[ . 1 . 2]" 1
68 1 8 LEU HA 1 12 LEU QD 4.290 . 4.290 3.736 3.462 3.957 . 0 0 "[ . 1 . 2]" 1
69 1 8 LEU QB 1 8 LEU MD1 3.100 . 3.100 2.139 2.016 2.224 . 0 0 "[ . 1 . 2]" 1
70 1 8 LEU MD1 1 11 PHE QB 5.500 . 5.500 3.718 3.135 4.569 . 0 0 "[ . 1 . 2]" 1
71 1 8 LEU MD1 1 11 PHE QD 5.160 . 5.160 3.598 2.483 4.787 . 0 0 "[ . 1 . 2]" 1
72 1 8 LEU MD1 1 12 LEU H 5.500 . 5.500 5.132 4.568 5.607 0.107 17 0 "[ . 1 . 2]" 1
73 1 8 LEU MD1 1 70 ASN QB 4.300 . 4.300 4.289 3.956 4.402 0.102 16 0 "[ . 1 . 2]" 1
74 1 8 LEU MD2 1 9 LYS H 5.080 . 5.080 3.651 3.023 4.137 . 0 0 "[ . 1 . 2]" 1
75 1 8 LEU MD2 1 9 LYS HA 4.310 . 4.310 3.560 2.669 4.133 . 0 0 "[ . 1 . 2]" 1
76 1 8 LEU MD2 1 9 LYS QG 4.560 . 4.560 4.542 3.878 4.683 0.123 12 0 "[ . 1 . 2]" 1
77 1 8 LEU MD2 1 12 LEU QB 4.860 . 4.860 4.736 4.163 4.947 0.087 4 0 "[ . 1 . 2]" 1
78 1 8 LEU HG 1 9 LYS HA 4.190 . 4.190 3.819 3.376 4.279 0.089 9 0 "[ . 1 . 2]" 1
79 1 8 LEU HG 1 9 LYS QB 5.500 . 5.500 4.879 4.247 5.471 . 0 0 "[ . 1 . 2]" 1
80 1 8 LEU HG 1 11 PHE QB 4.800 . 4.800 3.618 3.025 4.361 . 0 0 "[ . 1 . 2]" 1
81 1 8 LEU HG 1 12 LEU QD 5.440 . 5.440 2.292 1.886 2.479 . 0 0 "[ . 1 . 2]" 1
82 1 8 LEU HG 1 12 LEU HG 5.250 . 5.250 5.017 4.025 5.316 0.066 2 0 "[ . 1 . 2]" 1
83 1 9 LYS HA 1 9 LYS QD 5.110 . 5.110 4.060 3.520 4.504 . 0 0 "[ . 1 . 2]" 1
84 1 9 LYS HA 1 9 LYS QE 5.500 . 5.500 4.452 3.800 5.545 0.045 17 0 "[ . 1 . 2]" 1
85 1 9 LYS HA 1 9 LYS QG 3.850 . 3.850 2.707 2.262 3.592 . 0 0 "[ . 1 . 2]" 1
86 1 9 LYS HA 1 12 LEU H 4.750 . 4.750 3.260 2.816 3.600 . 0 0 "[ . 1 . 2]" 1
87 1 9 LYS HA 1 12 LEU QB 4.730 . 4.730 3.031 2.289 3.578 . 0 0 "[ . 1 . 2]" 1
88 1 9 LYS HA 1 12 LEU MD1 4.690 . 4.690 3.307 2.439 4.803 0.113 20 0 "[ . 1 . 2]" 1
89 1 9 LYS HA 1 12 LEU QD 3.980 . 3.980 2.952 2.381 3.278 . 0 0 "[ . 1 . 2]" 1
90 1 9 LYS HA 1 12 LEU MD2 4.690 . 4.690 3.822 2.907 4.490 . 0 0 "[ . 1 . 2]" 1
91 1 9 LYS QD 1 10 ARG H 4.560 . 4.560 4.209 2.304 4.728 0.168 5 0 "[ . 1 . 2]" 1
92 1 10 ARG H 1 10 ARG QB 3.440 . 3.440 2.183 1.916 2.516 . 0 0 "[ . 1 . 2]" 1
93 1 10 ARG H 1 10 ARG QG 4.060 . 4.060 3.521 1.885 4.075 0.015 8 0 "[ . 1 . 2]" 1
94 1 10 ARG HA 1 10 ARG HD2 4.990 . 4.990 3.736 1.890 4.951 . 0 0 "[ . 1 . 2]" 1
95 1 10 ARG HA 1 10 ARG QD 4.180 . 4.180 3.045 1.880 4.225 0.045 6 0 "[ . 1 . 2]" 1
96 1 10 ARG HA 1 10 ARG HD3 4.990 . 4.990 3.521 1.960 4.793 . 0 0 "[ . 1 . 2]" 1
97 1 10 ARG HA 1 13 THR H 4.540 . 4.540 3.804 3.444 4.153 . 0 0 "[ . 1 . 2]" 1
98 1 10 ARG HA 1 13 THR HB 3.710 . 3.710 2.980 2.594 3.271 . 0 0 "[ . 1 . 2]" 1
99 1 10 ARG HA 1 13 THR MG 4.410 . 4.410 4.184 3.815 4.444 0.034 13 0 "[ . 1 . 2]" 1
100 1 10 ARG QB 1 11 PHE H 3.770 . 3.770 2.747 2.411 2.966 . 0 0 "[ . 1 . 2]" 1
101 1 10 ARG QB 1 13 THR HB 5.500 . 5.500 4.766 4.163 5.153 . 0 0 "[ . 1 . 2]" 1
102 1 10 ARG QG 1 11 PHE H 4.760 . 4.760 3.999 3.551 4.594 . 0 0 "[ . 1 . 2]" 1
103 1 11 PHE H 1 11 PHE QB 3.380 . 3.380 2.309 2.031 2.370 . 0 0 "[ . 1 . 2]" 1
104 1 11 PHE H 1 12 LEU H 3.840 . 3.840 2.572 2.242 2.730 . 0 0 "[ . 1 . 2]" 1
105 1 11 PHE H 1 12 LEU QD 5.270 . 5.270 3.917 3.736 4.145 . 0 0 "[ . 1 . 2]" 1
106 1 11 PHE HA 1 11 PHE QD 3.890 . 3.890 2.659 2.462 2.888 . 0 0 "[ . 1 . 2]" 1
107 1 11 PHE HA 1 12 LEU QD 5.280 . 5.280 4.621 4.477 4.792 . 0 0 "[ . 1 . 2]" 1
108 1 11 PHE HA 1 14 THR HB 4.080 . 4.080 2.814 2.470 3.291 . 0 0 "[ . 1 . 2]" 1
109 1 11 PHE HA 1 14 THR MG 4.570 . 4.570 4.039 3.751 4.456 . 0 0 "[ . 1 . 2]" 1
110 1 11 PHE HA 1 15 LEU QD 5.440 . 5.440 4.062 3.472 4.948 . 0 0 "[ . 1 . 2]" 1
111 1 11 PHE QB 1 12 LEU H 4.000 . 4.000 2.615 2.447 2.822 . 0 0 "[ . 1 . 2]" 1
112 1 11 PHE QB 1 34 VAL QG 5.440 . 5.440 4.555 4.113 5.001 . 0 0 "[ . 1 . 2]" 1
113 1 11 PHE QD 1 12 LEU HA 4.890 . 4.890 3.771 3.492 4.127 . 0 0 "[ . 1 . 2]" 1
114 1 11 PHE QD 1 12 LEU QD 3.570 . 3.570 2.144 1.788 2.385 0.012 5 0 "[ . 1 . 2]" 1
115 1 11 PHE QD 1 12 LEU HG 5.250 . 5.250 4.178 3.439 5.278 0.028 12 0 "[ . 1 . 2]" 1
116 1 11 PHE QD 1 34 VAL MG1 5.050 . 5.050 3.575 2.762 5.036 . 0 0 "[ . 1 . 2]" 1
117 1 11 PHE QD 1 34 VAL QG 3.740 . 3.740 3.150 2.662 3.652 . 0 0 "[ . 1 . 2]" 1
118 1 11 PHE QD 1 34 VAL MG2 5.050 . 5.050 4.154 2.681 5.113 0.063 13 0 "[ . 1 . 2]" 1
119 1 11 PHE QD 1 38 VAL QG 5.440 . 5.440 4.907 4.314 5.477 0.037 1 0 "[ . 1 . 2]" 1
120 1 11 PHE QE 1 12 LEU QD 4.050 . 4.050 3.692 3.237 4.077 0.027 16 0 "[ . 1 . 2]" 1
121 1 11 PHE QE 1 14 THR MG 5.000 . 5.000 4.929 4.383 5.092 0.092 17 0 "[ . 1 . 2]" 1
122 1 11 PHE QE 1 15 LEU QD 4.610 . 4.610 2.629 2.158 2.916 . 0 0 "[ . 1 . 2]" 1
123 1 11 PHE QE 1 34 VAL QG 3.750 . 3.750 2.586 1.891 3.107 . 0 0 "[ . 1 . 2]" 1
124 1 11 PHE QE 1 37 LEU QD 4.870 . 4.870 3.634 2.950 4.447 . 0 0 "[ . 1 . 2]" 1
125 1 12 LEU H 1 12 LEU HB2 4.190 . 4.190 2.313 2.036 2.466 . 0 0 "[ . 1 . 2]" 1
126 1 12 LEU H 1 12 LEU QB 3.590 . 3.590 2.285 2.020 2.428 . 0 0 "[ . 1 . 2]" 1
127 1 12 LEU H 1 12 LEU HB3 4.190 . 4.190 3.563 3.358 3.638 . 0 0 "[ . 1 . 2]" 1
128 1 12 LEU H 1 12 LEU QD 3.830 . 3.830 2.316 2.053 2.595 . 0 0 "[ . 1 . 2]" 1
129 1 12 LEU H 1 12 LEU HG 4.460 . 4.460 3.909 3.614 4.058 . 0 0 "[ . 1 . 2]" 1
130 1 12 LEU H 1 13 THR H 3.970 . 3.970 2.594 2.495 2.656 . 0 0 "[ . 1 . 2]" 1
131 1 12 LEU H 1 34 VAL QG 5.440 . 5.440 4.532 4.079 4.851 . 0 0 "[ . 1 . 2]" 1
132 1 12 LEU HA 1 12 LEU MD1 4.210 . 4.210 2.653 2.027 2.983 . 0 0 "[ . 1 . 2]" 1
133 1 12 LEU HA 1 12 LEU QD 3.010 . 3.010 2.574 1.908 2.880 . 0 0 "[ . 1 . 2]" 1
134 1 12 LEU HA 1 12 LEU MD2 4.210 . 4.210 3.560 2.238 3.850 . 0 0 "[ . 1 . 2]" 1
135 1 12 LEU HA 1 12 LEU HG 4.270 . 4.270 2.685 2.389 3.712 . 0 0 "[ . 1 . 2]" 1
136 1 12 LEU HA 1 15 LEU QD 4.270 . 4.270 2.935 1.848 4.124 . 0 0 "[ . 1 . 2]" 1
137 1 12 LEU HA 1 34 VAL QG 4.070 . 4.070 3.014 2.433 3.444 . 0 0 "[ . 1 . 2]" 1
138 1 12 LEU QB 1 13 THR H 3.770 . 3.770 2.749 2.539 2.904 . 0 0 "[ . 1 . 2]" 1
139 1 12 LEU HB2 1 13 THR H 4.360 . 4.360 2.887 2.703 3.055 . 0 0 "[ . 1 . 2]" 1
140 1 12 LEU HB3 1 13 THR H 4.360 . 4.360 3.471 3.044 3.679 . 0 0 "[ . 1 . 2]" 1
141 1 12 LEU QD 1 13 THR H 4.510 . 4.510 3.959 3.839 4.060 . 0 0 "[ . 1 . 2]" 1
142 1 12 LEU QD 1 34 VAL HB 4.730 . 4.730 3.578 2.350 4.523 . 0 0 "[ . 1 . 2]" 1
143 1 12 LEU QD 1 34 VAL QG 4.320 . 4.320 2.194 1.795 2.706 0.005 12 0 "[ . 1 . 2]" 1
144 1 12 LEU QD 1 35 LEU HA 4.380 . 4.380 3.976 3.351 4.420 0.040 2 0 "[ . 1 . 2]" 1
145 1 12 LEU QD 1 35 LEU QD 2.900 . 2.900 2.644 2.191 2.967 0.067 2 0 "[ . 1 . 2]" 1
146 1 12 LEU QD 1 35 LEU HG 4.700 . 4.700 4.360 3.499 4.773 0.073 11 0 "[ . 1 . 2]" 1
147 1 12 LEU HG 1 34 VAL HB 5.210 . 5.210 3.807 2.271 5.256 0.046 20 0 "[ . 1 . 2]" 1
148 1 12 LEU HG 1 35 LEU QD 4.980 . 4.980 4.002 3.305 4.396 . 0 0 "[ . 1 . 2]" 1
149 1 13 THR H 1 13 THR HB 3.650 . 3.650 2.580 2.452 2.702 . 0 0 "[ . 1 . 2]" 1
150 1 13 THR H 1 13 THR MG 3.870 . 3.870 3.720 3.677 3.783 . 0 0 "[ . 1 . 2]" 1
151 1 13 THR HA 1 13 THR MG 3.140 . 3.140 2.341 2.203 2.420 . 0 0 "[ . 1 . 2]" 1
152 1 13 THR HA 1 16 GLN QB 4.240 . 4.240 2.976 2.530 3.880 . 0 0 "[ . 1 . 2]" 1
153 1 13 THR HA 1 16 GLN QG 4.560 . 4.560 4.104 1.826 4.660 0.100 10 0 "[ . 1 . 2]" 1
154 1 13 THR HA 1 17 GLN QG 4.870 . 4.870 4.208 3.637 4.870 . 0 0 "[ . 1 . 2]" 1
155 1 13 THR HB 1 14 THR H 3.890 . 3.890 3.114 2.812 3.449 . 0 0 "[ . 1 . 2]" 1
156 1 13 THR MG 1 14 THR H 5.010 . 5.010 3.935 3.746 4.080 . 0 0 "[ . 1 . 2]" 1
157 1 13 THR MG 1 16 GLN QB 4.230 . 4.230 4.061 3.665 4.417 0.187 13 0 "[ . 1 . 2]" 1
158 1 13 THR MG 1 17 GLN QB 4.170 . 4.170 3.804 3.222 4.200 0.030 16 0 "[ . 1 . 2]" 1
159 1 13 THR MG 1 17 GLN QE 4.700 . 4.700 3.620 1.789 4.750 0.050 2 0 "[ . 1 . 2]" 1
160 1 13 THR MG 1 17 GLN HG2 5.090 . 5.090 3.524 2.545 4.315 . 0 0 "[ . 1 . 2]" 1
161 1 13 THR MG 1 17 GLN HG3 5.090 . 5.090 3.721 2.659 5.133 0.043 9 0 "[ . 1 . 2]" 1
162 1 14 THR H 1 14 THR HB 4.130 . 4.130 2.465 2.325 2.582 . 0 0 "[ . 1 . 2]" 1
163 1 14 THR H 1 15 LEU H 3.820 . 3.820 2.503 2.351 2.635 . 0 0 "[ . 1 . 2]" 1
164 1 14 THR HA 1 14 THR MG 3.410 . 3.410 2.452 2.355 2.563 . 0 0 "[ . 1 . 2]" 1
165 1 14 THR HA 1 17 GLN QB 4.150 . 4.150 3.461 2.801 4.237 0.087 2 0 "[ . 1 . 2]" 1
166 1 14 THR HA 1 17 GLN QG 5.140 . 5.140 3.345 1.862 5.107 . 0 0 "[ . 1 . 2]" 1
167 1 14 THR HB 1 15 LEU H 4.310 . 4.310 2.402 2.251 2.491 . 0 0 "[ . 1 . 2]" 1
168 1 14 THR HB 1 18 TYR QB 5.500 . 5.500 5.212 4.871 5.500 . 0 0 "[ . 1 . 2]" 1
169 1 14 THR MG 1 15 LEU H 4.120 . 4.120 3.258 2.980 3.446 . 0 0 "[ . 1 . 2]" 1
170 1 14 THR MG 1 15 LEU QD 4.130 . 4.130 3.390 2.338 4.260 0.130 5 0 "[ . 1 . 2]" 1
171 1 14 THR MG 1 18 TYR QD 4.850 . 4.850 4.717 4.448 4.929 0.079 6 0 "[ . 1 . 2]" 1
172 1 15 LEU H 1 15 LEU HB2 3.910 . 3.910 2.658 2.106 3.596 . 0 0 "[ . 1 . 2]" 1
173 1 15 LEU H 1 15 LEU HB3 3.910 . 3.910 3.363 2.686 3.642 . 0 0 "[ . 1 . 2]" 1
174 1 15 LEU H 1 15 LEU MD1 4.510 . 4.510 3.221 2.152 3.972 . 0 0 "[ . 1 . 2]" 1
175 1 15 LEU H 1 15 LEU QD 3.930 . 3.930 2.544 2.053 3.152 . 0 0 "[ . 1 . 2]" 1
176 1 15 LEU H 1 15 LEU MD2 4.510 . 4.510 3.154 2.067 4.131 . 0 0 "[ . 1 . 2]" 1
177 1 15 LEU H 1 15 LEU HG 4.500 . 4.500 3.204 1.745 4.501 0.055 17 0 "[ . 1 . 2]" 1
178 1 15 LEU H 1 16 GLN H 3.960 . 3.960 2.767 2.705 2.810 . 0 0 "[ . 1 . 2]" 1
179 1 15 LEU HA 1 15 LEU MD1 4.420 . 4.420 2.875 1.896 3.891 . 0 0 "[ . 1 . 2]" 1
180 1 15 LEU HA 1 15 LEU QD 3.660 . 3.660 2.437 1.803 3.412 . 0 0 "[ . 1 . 2]" 1
181 1 15 LEU HA 1 15 LEU MD2 4.420 . 4.420 3.164 1.891 3.910 . 0 0 "[ . 1 . 2]" 1
182 1 15 LEU HA 1 18 TYR H 5.140 . 5.140 3.594 3.233 3.890 . 0 0 "[ . 1 . 2]" 1
183 1 15 LEU HA 1 18 TYR QB 4.250 . 4.250 2.637 2.054 2.939 . 0 0 "[ . 1 . 2]" 1
184 1 15 LEU HA 1 18 TYR QD 4.840 . 4.840 3.683 3.277 4.062 . 0 0 "[ . 1 . 2]" 1
185 1 15 LEU QB 1 16 GLN H 3.760 . 3.760 2.981 2.566 3.532 . 0 0 "[ . 1 . 2]" 1
186 1 15 LEU QB 1 18 TYR QD 5.040 . 5.040 4.782 3.962 5.137 0.097 1 0 "[ . 1 . 2]" 1
187 1 15 LEU QB 1 30 VAL QG 3.470 . 3.470 2.134 1.776 2.765 0.024 10 0 "[ . 1 . 2]" 1
188 1 15 LEU QB 1 31 ARG H 5.050 . 5.050 4.689 4.192 5.054 0.004 9 0 "[ . 1 . 2]" 1
189 1 15 LEU QB 1 31 ARG HA 4.440 . 4.440 4.023 3.408 4.549 0.109 17 0 "[ . 1 . 2]" 1
190 1 15 LEU QB 1 34 VAL QG 4.340 . 4.340 2.860 2.360 3.940 . 0 0 "[ . 1 . 2]" 1
191 1 15 LEU QB 1 51 LEU QD 4.110 . 4.110 3.333 2.420 4.031 . 0 0 "[ . 1 . 2]" 1
192 1 15 LEU HB2 1 16 GLN H 4.310 . 4.310 3.178 2.682 3.804 . 0 0 "[ . 1 . 2]" 1
193 1 15 LEU HB3 1 16 GLN H 4.310 . 4.310 3.684 3.058 4.330 0.020 17 0 "[ . 1 . 2]" 1
194 1 15 LEU QD 1 30 VAL QG 3.330 . 3.330 2.303 1.857 2.911 . 0 0 "[ . 1 . 2]" 1
195 1 15 LEU QD 1 31 ARG HA 4.570 . 4.570 3.810 2.225 4.769 0.199 1 0 "[ . 1 . 2]" 1
196 1 15 LEU QD 1 34 VAL QG 3.380 . 3.380 2.037 1.671 2.693 0.129 15 0 "[ . 1 . 2]" 1
197 1 15 LEU QD 1 47 PHE HZ 4.460 . 4.460 3.034 2.163 3.723 . 0 0 "[ . 1 . 2]" 1
198 1 15 LEU QD 1 51 LEU QD 3.370 . 3.370 2.145 1.734 3.209 0.066 14 0 "[ . 1 . 2]" 1
199 1 15 LEU QD 1 63 VAL QG 5.370 . 5.370 3.224 2.252 4.156 . 0 0 "[ . 1 . 2]" 1
200 1 15 LEU MD1 1 47 PHE HZ 5.500 . 5.500 4.140 2.181 5.194 . 0 0 "[ . 1 . 2]" 1
201 1 15 LEU MD2 1 47 PHE HZ 5.500 . 5.500 3.394 2.417 4.321 . 0 0 "[ . 1 . 2]" 1
202 1 15 LEU HG 1 30 VAL QG 4.360 . 4.360 3.605 2.061 4.389 0.029 12 0 "[ . 1 . 2]" 1
203 1 15 LEU HG 1 34 VAL QG 4.120 . 4.120 3.361 1.749 4.220 0.100 19 0 "[ . 1 . 2]" 1
204 1 16 GLN H 1 16 GLN HB2 3.740 . 3.740 2.660 2.162 3.626 . 0 0 "[ . 1 . 2]" 1
205 1 16 GLN H 1 16 GLN QB 3.270 . 3.270 2.272 2.051 2.765 . 0 0 "[ . 1 . 2]" 1
206 1 16 GLN H 1 16 GLN HB3 3.740 . 3.740 2.733 2.086 3.700 . 0 0 "[ . 1 . 2]" 1
207 1 16 GLN H 1 17 GLN H 3.850 . 3.850 2.637 2.536 2.731 . 0 0 "[ . 1 . 2]" 1
208 1 16 GLN H 1 30 VAL QG 4.710 . 4.710 4.335 3.979 4.748 0.038 16 0 "[ . 1 . 2]" 1
209 1 16 GLN HA 1 19 GLY H 4.400 . 4.400 3.643 3.147 3.931 . 0 0 "[ . 1 . 2]" 1
210 1 16 GLN HA 1 19 GLY HA3 4.760 . 4.760 4.291 3.639 4.669 . 0 0 "[ . 1 . 2]" 1
211 1 16 GLN HA 1 30 VAL HB 5.490 . 5.490 4.492 3.537 5.555 0.065 20 0 "[ . 1 . 2]" 1
212 1 17 GLN H 1 17 GLN QB 3.830 . 3.830 2.463 2.216 2.651 . 0 0 "[ . 1 . 2]" 1
213 1 17 GLN H 1 17 GLN QG 4.680 . 4.680 2.366 2.043 3.568 . 0 0 "[ . 1 . 2]" 1
214 1 17 GLN HA 1 17 GLN HG2 4.040 . 4.040 3.227 2.477 4.160 0.120 2 0 "[ . 1 . 2]" 1
215 1 17 GLN HA 1 17 GLN QG 3.500 . 3.500 2.927 2.374 3.463 . 0 0 "[ . 1 . 2]" 1
216 1 17 GLN HA 1 17 GLN HG3 4.040 . 4.040 3.490 2.646 3.800 . 0 0 "[ . 1 . 2]" 1
217 1 17 GLN HA 1 20 ASN HB2 4.100 . 4.100 3.246 1.826 4.256 0.156 19 0 "[ . 1 . 2]" 1
218 1 17 GLN HA 1 20 ASN QB 3.510 . 3.510 2.388 1.819 3.362 . 0 0 "[ . 1 . 2]" 1
219 1 17 GLN HA 1 20 ASN HB3 4.100 . 4.100 2.904 2.130 4.152 0.052 18 0 "[ . 1 . 2]" 1
220 1 17 GLN HA 1 20 ASN HD21 4.220 . 4.220 3.420 2.608 3.923 . 0 0 "[ . 1 . 2]" 1
221 1 17 GLN HA 1 20 ASN HD22 5.380 . 5.380 4.608 2.180 5.388 0.008 6 0 "[ . 1 . 2]" 1
222 1 17 GLN QB 1 18 TYR H 4.200 . 4.200 3.176 2.652 3.769 . 0 0 "[ . 1 . 2]" 1
223 1 17 GLN QB 1 20 ASN HD21 5.200 . 5.200 4.634 3.898 5.260 0.060 13 0 "[ . 1 . 2]" 1
224 1 18 TYR H 1 18 TYR QB 3.890 . 3.890 2.203 2.010 2.300 . 0 0 "[ . 1 . 2]" 1
225 1 18 TYR HA 1 18 TYR QD 3.920 . 3.920 2.664 2.358 3.036 . 0 0 "[ . 1 . 2]" 1
226 1 18 TYR HA 1 21 ASP H 4.350 . 4.350 3.604 3.267 3.992 . 0 0 "[ . 1 . 2]" 1
227 1 18 TYR HA 1 21 ASP HB2 4.300 . 4.300 3.325 2.715 4.334 0.034 16 0 "[ . 1 . 2]" 1
228 1 18 TYR HA 1 21 ASP QB 3.760 . 3.760 2.806 2.230 3.451 . 0 0 "[ . 1 . 2]" 1
229 1 18 TYR HA 1 21 ASP HB3 4.300 . 4.300 3.100 2.335 4.168 . 0 0 "[ . 1 . 2]" 1
230 1 18 TYR HA 1 22 ILE H 5.270 . 5.270 4.812 4.309 5.201 . 0 0 "[ . 1 . 2]" 1
231 1 18 TYR QB 1 19 GLY H 3.650 . 3.650 2.587 2.460 2.700 . 0 0 "[ . 1 . 2]" 1
232 1 18 TYR QD 1 22 ILE MD 4.290 . 4.290 3.931 3.570 4.331 0.041 19 0 "[ . 1 . 2]" 1
233 1 18 TYR QD 1 30 VAL MG1 4.860 . 4.860 3.633 2.879 4.259 . 0 0 "[ . 1 . 2]" 1
234 1 18 TYR QD 1 30 VAL QG 4.140 . 4.140 3.290 2.705 3.837 . 0 0 "[ . 1 . 2]" 1
235 1 18 TYR QD 1 30 VAL MG2 4.860 . 4.860 3.781 3.052 4.403 . 0 0 "[ . 1 . 2]" 1
236 1 18 TYR QD 1 51 LEU QD 5.440 . 5.440 4.522 4.003 5.075 . 0 0 "[ . 1 . 2]" 1
237 1 18 TYR QD 1 55 THR HB 5.500 . 5.500 4.629 4.101 5.154 . 0 0 "[ . 1 . 2]" 1
238 1 18 TYR QD 1 55 THR MG 4.170 . 4.170 3.099 2.724 3.438 . 0 0 "[ . 1 . 2]" 1
239 1 18 TYR QE 1 22 ILE MD 3.900 . 3.900 3.204 2.753 3.938 0.038 4 0 "[ . 1 . 2]" 1
240 1 18 TYR QE 1 30 VAL QG 5.160 . 5.160 3.873 2.809 4.614 . 0 0 "[ . 1 . 2]" 1
241 1 18 TYR QE 1 51 LEU QD 5.170 . 5.170 4.620 3.225 5.230 0.060 15 0 "[ . 1 . 2]" 1
242 1 18 TYR QE 1 55 THR HA 5.150 . 5.150 4.455 3.872 5.116 . 0 0 "[ . 1 . 2]" 1
243 1 18 TYR QE 1 55 THR HB 3.750 . 3.750 2.502 1.972 3.296 . 0 0 "[ . 1 . 2]" 1
244 1 18 TYR QE 1 55 THR MG 4.090 . 4.090 2.150 1.775 2.914 0.025 4 0 "[ . 1 . 2]" 1
245 1 19 GLY H 1 26 ILE MG 4.140 . 4.140 4.256 4.199 4.337 0.197 1 0 "[ . 1 . 2]" 1
246 1 19 GLY H 1 27 GLY QA 4.910 . 4.910 3.219 2.946 3.745 . 0 0 "[ . 1 . 2]" 1
247 1 19 GLY H 1 30 VAL QG 4.610 . 4.610 3.581 2.743 4.476 . 0 0 "[ . 1 . 2]" 1
248 1 19 GLY HA2 1 22 ILE MD 3.460 . 3.460 2.376 2.069 2.842 . 0 0 "[ . 1 . 2]" 1
249 1 19 GLY HA2 1 22 ILE MG 5.370 . 5.370 4.751 4.512 5.093 . 0 0 "[ . 1 . 2]" 1
250 1 19 GLY HA2 1 26 ILE MG 3.880 . 3.880 2.198 2.022 2.447 . 0 0 "[ . 1 . 2]" 1
251 1 19 GLY HA2 1 30 VAL QG 4.490 . 4.490 3.832 3.254 4.492 0.002 19 0 "[ . 1 . 2]" 1
252 1 19 GLY HA2 1 55 THR MG 5.500 . 5.500 3.628 3.229 4.168 . 0 0 "[ . 1 . 2]" 1
253 1 19 GLY HA3 1 21 ASP H 4.970 . 4.970 4.411 4.232 4.973 0.003 16 0 "[ . 1 . 2]" 1
254 1 19 GLY HA3 1 22 ILE MD 4.410 . 4.410 3.770 3.422 4.286 . 0 0 "[ . 1 . 2]" 1
255 1 19 GLY HA3 1 26 ILE MG 3.600 . 3.600 2.390 2.301 2.513 . 0 0 "[ . 1 . 2]" 1
256 1 19 GLY HA3 1 30 VAL HB 5.000 . 5.000 4.159 3.551 5.185 0.185 17 0 "[ . 1 . 2]" 1
257 1 19 GLY HA3 1 30 VAL MG1 5.380 . 5.380 4.132 3.331 4.953 . 0 0 "[ . 1 . 2]" 1
258 1 19 GLY HA3 1 30 VAL QG 4.420 . 4.420 3.294 2.450 4.105 . 0 0 "[ . 1 . 2]" 1
259 1 19 GLY HA3 1 30 VAL MG2 5.380 . 5.380 3.475 2.496 4.382 . 0 0 "[ . 1 . 2]" 1
260 1 19 GLY HA3 1 55 THR MG 5.490 . 5.490 4.237 3.790 4.776 . 0 0 "[ . 1 . 2]" 1
261 1 20 ASN H 1 20 ASN QB 3.620 . 3.620 2.268 2.124 2.550 . 0 0 "[ . 1 . 2]" 1
262 1 20 ASN H 1 20 ASN HD21 4.750 . 4.750 4.298 2.409 4.775 0.025 16 0 "[ . 1 . 2]" 1
263 1 20 ASN H 1 21 ASP H 3.490 . 3.490 2.760 2.631 2.844 . 0 0 "[ . 1 . 2]" 1
264 1 20 ASN H 1 26 ILE MG 4.550 . 4.550 4.085 3.984 4.246 . 0 0 "[ . 1 . 2]" 1
265 1 20 ASN H 1 27 GLY QA 4.360 . 4.360 2.673 2.495 3.136 . 0 0 "[ . 1 . 2]" 1
266 1 20 ASN HA 1 22 ILE H 5.480 . 5.480 4.084 3.880 4.263 . 0 0 "[ . 1 . 2]" 1
267 1 20 ASN HA 1 26 ILE H 5.260 . 5.260 5.330 5.003 5.442 0.182 10 0 "[ . 1 . 2]" 1
268 1 20 ASN HA 1 27 GLY H 3.630 . 3.630 3.445 3.075 3.563 . 0 0 "[ . 1 . 2]" 1
269 1 20 ASN HA 1 27 GLY HA2 4.550 . 4.550 4.674 4.619 4.737 0.187 3 0 "[ . 1 . 2]" 1
270 1 20 ASN HA 1 27 GLY QA 3.730 . 3.730 3.339 3.131 3.507 . 0 0 "[ . 1 . 2]" 1
271 1 20 ASN HA 1 27 GLY HA3 4.550 . 4.550 3.421 3.184 3.619 . 0 0 "[ . 1 . 2]" 1
272 1 20 ASN QB 1 21 ASP H 3.770 . 3.770 2.952 2.309 3.690 . 0 0 "[ . 1 . 2]" 1
273 1 20 ASN HB2 1 20 ASN HD22 4.070 . 4.070 3.775 3.411 4.074 0.004 10 0 "[ . 1 . 2]" 1
274 1 20 ASN HB3 1 20 ASN HD22 4.070 . 4.070 3.583 3.456 4.019 . 0 0 "[ . 1 . 2]" 1
275 1 21 ASP H 1 21 ASP HB2 3.560 . 3.560 2.697 2.331 2.882 . 0 0 "[ . 1 . 2]" 1
276 1 21 ASP H 1 21 ASP QB 3.060 . 3.060 2.394 2.272 2.507 . 0 0 "[ . 1 . 2]" 1
277 1 21 ASP H 1 21 ASP HB3 3.560 . 3.560 2.733 2.426 3.611 0.051 11 0 "[ . 1 . 2]" 1
278 1 21 ASP H 1 22 ILE H 3.510 . 3.510 2.472 2.320 2.939 . 0 0 "[ . 1 . 2]" 1
279 1 22 ILE H 1 22 ILE MD 3.870 . 3.870 3.498 3.374 3.704 . 0 0 "[ . 1 . 2]" 1
280 1 22 ILE H 1 22 ILE QG 3.640 . 3.640 2.029 1.919 2.210 . 0 0 "[ . 1 . 2]" 1
281 1 22 ILE H 1 22 ILE MG 4.480 . 4.480 3.815 3.781 3.851 . 0 0 "[ . 1 . 2]" 1
282 1 22 ILE H 1 23 SER H 3.570 . 3.570 2.839 2.636 2.962 . 0 0 "[ . 1 . 2]" 1
283 1 22 ILE HA 1 22 ILE MD 3.920 . 3.920 3.890 3.849 3.921 0.001 18 0 "[ . 1 . 2]" 1
284 1 22 ILE HA 1 22 ILE HG12 4.060 . 4.060 2.652 2.607 2.709 . 0 0 "[ . 1 . 2]" 1
285 1 22 ILE HA 1 22 ILE QG 3.470 . 3.470 2.498 2.472 2.536 . 0 0 "[ . 1 . 2]" 1
286 1 22 ILE HA 1 22 ILE HG13 4.060 . 4.060 3.051 2.998 3.167 . 0 0 "[ . 1 . 2]" 1
287 1 22 ILE HA 1 22 ILE MG 3.410 . 3.410 2.448 2.359 2.511 . 0 0 "[ . 1 . 2]" 1
288 1 22 ILE HB 1 22 ILE MD 3.710 . 3.710 2.351 2.283 2.414 . 0 0 "[ . 1 . 2]" 1
289 1 22 ILE HB 1 23 SER H 3.410 . 3.410 1.846 1.788 2.006 0.012 2 0 "[ . 1 . 2]" 1
290 1 22 ILE HB 1 26 ILE MG 4.250 . 4.250 2.357 2.121 2.782 . 0 0 "[ . 1 . 2]" 1
291 1 22 ILE HB 1 27 GLY H 5.500 . 5.500 5.170 4.913 5.372 . 0 0 "[ . 1 . 2]" 1
292 1 22 ILE MD 1 22 ILE MG 3.330 . 3.330 1.952 1.854 2.005 . 0 0 "[ . 1 . 2]" 1
293 1 22 ILE MD 1 23 SER H 3.780 . 3.780 3.876 3.838 3.936 0.156 9 0 "[ . 1 . 2]" 1
294 1 22 ILE MD 1 26 ILE HB 4.220 . 4.220 3.957 3.775 4.081 . 0 0 "[ . 1 . 2]" 1
295 1 22 ILE MD 1 26 ILE MG 3.710 . 3.710 1.825 1.755 1.908 0.045 1 0 "[ . 1 . 2]" 1
296 1 22 ILE MD 1 55 THR HA 4.060 . 4.060 3.536 2.765 4.007 . 0 0 "[ . 1 . 2]" 1
297 1 22 ILE MD 1 55 THR HB 4.840 . 4.840 3.577 2.715 4.031 . 0 0 "[ . 1 . 2]" 1
298 1 22 ILE MD 1 55 THR MG 4.290 . 4.290 2.827 2.378 3.353 . 0 0 "[ . 1 . 2]" 1
299 1 22 ILE MD 1 56 ASN QD 4.930 . 4.930 4.830 4.348 5.082 0.152 2 0 "[ . 1 . 2]" 1
300 1 22 ILE QG 1 23 SER H 4.280 . 4.280 3.647 3.613 3.711 . 0 0 "[ . 1 . 2]" 1
301 1 22 ILE MG 1 23 SER H 3.490 . 3.490 2.843 2.704 3.168 . 0 0 "[ . 1 . 2]" 1
302 1 22 ILE MG 1 23 SER QB 4.270 . 4.270 3.352 2.787 4.057 . 0 0 "[ . 1 . 2]" 1
303 1 22 ILE MG 1 24 PRO HG2 3.840 . 3.840 3.716 3.032 3.907 0.067 16 0 "[ . 1 . 2]" 1
304 1 22 ILE MG 1 26 ILE HB 4.400 . 4.400 4.290 4.058 4.401 0.001 20 0 "[ . 1 . 2]" 1
305 1 22 ILE MG 1 26 ILE MD 4.580 . 4.580 4.615 4.476 4.690 0.110 2 0 "[ . 1 . 2]" 1
306 1 22 ILE MG 1 26 ILE QG 4.590 . 4.590 3.867 3.522 4.385 . 0 0 "[ . 1 . 2]" 1
307 1 23 SER H 1 23 SER QB 3.880 . 3.880 3.459 3.217 3.682 . 0 0 "[ . 1 . 2]" 1
308 1 23 SER H 1 26 ILE H 5.500 . 5.500 5.093 4.859 5.369 . 0 0 "[ . 1 . 2]" 1
309 1 23 SER QB 1 24 PRO HA 4.300 . 4.300 3.811 3.561 4.217 . 0 0 "[ . 1 . 2]" 1
310 1 23 SER QB 1 24 PRO QD 3.710 . 3.710 2.189 1.796 2.810 0.004 2 0 "[ . 1 . 2]" 1
311 1 23 SER QB 1 24 PRO HG2 4.770 . 4.770 4.705 4.527 4.948 0.178 8 0 "[ . 1 . 2]" 1
312 1 24 PRO QB 1 25 GLU H 3.330 . 3.330 1.865 1.688 2.379 0.112 8 0 "[ . 1 . 2]" 1
313 1 24 PRO QB 1 26 ILE H 4.380 . 4.380 2.904 2.394 3.167 . 0 0 "[ . 1 . 2]" 1
314 1 24 PRO HG2 1 26 ILE H 3.850 . 3.850 2.618 2.311 3.144 . 0 0 "[ . 1 . 2]" 1
315 1 24 PRO HG2 1 26 ILE MD 4.000 . 4.000 3.408 3.238 3.641 . 0 0 "[ . 1 . 2]" 1
316 1 24 PRO HG2 1 26 ILE MG 5.190 . 5.190 2.622 2.121 3.000 . 0 0 "[ . 1 . 2]" 1
317 1 24 PRO HG3 1 26 ILE MD 3.950 . 3.950 3.947 3.651 3.998 0.048 3 0 "[ . 1 . 2]" 1
318 1 25 GLU H 1 25 GLU QB 3.320 . 3.320 2.505 2.153 2.988 . 0 0 "[ . 1 . 2]" 1
319 1 25 GLU H 1 25 GLU QG 4.020 . 4.020 2.376 1.758 3.945 0.042 19 0 "[ . 1 . 2]" 1
320 1 25 GLU H 1 26 ILE H 3.780 . 3.780 2.789 1.878 3.297 . 0 0 "[ . 1 . 2]" 1
321 1 25 GLU HA 1 25 GLU HG2 4.040 . 4.040 3.251 2.610 4.009 . 0 0 "[ . 1 . 2]" 1
322 1 25 GLU HA 1 25 GLU QG 3.440 . 3.440 2.797 2.382 3.482 0.042 20 0 "[ . 1 . 2]" 1
323 1 25 GLU HA 1 25 GLU HG3 4.040 . 4.040 3.166 2.415 4.181 0.141 20 0 "[ . 1 . 2]" 1
324 1 26 ILE H 1 26 ILE HB 4.070 . 4.070 2.236 1.982 2.308 . 0 0 "[ . 1 . 2]" 1
325 1 26 ILE H 1 26 ILE QG 3.720 . 3.720 3.942 3.743 3.975 0.255 12 0 "[ . 1 . 2]" 1
326 1 26 ILE H 1 26 ILE MG 3.930 . 3.930 2.473 2.228 2.637 . 0 0 "[ . 1 . 2]" 1
327 1 26 ILE H 1 27 GLY H 3.530 . 3.530 2.847 2.490 2.930 . 0 0 "[ . 1 . 2]" 1
328 1 26 ILE H 1 29 ARG H 5.190 . 5.190 4.575 4.440 4.694 . 0 0 "[ . 1 . 2]" 1
329 1 26 ILE HA 1 26 ILE MD 3.340 . 3.340 1.964 1.776 2.189 0.024 1 0 "[ . 1 . 2]" 1
330 1 26 ILE HA 1 26 ILE MG 3.710 . 3.710 3.205 3.173 3.250 . 0 0 "[ . 1 . 2]" 1
331 1 26 ILE HA 1 29 ARG H 3.820 . 3.820 3.341 3.056 3.640 . 0 0 "[ . 1 . 2]" 1
332 1 26 ILE HA 1 29 ARG QB 3.510 . 3.510 2.423 2.138 2.738 . 0 0 "[ . 1 . 2]" 1
333 1 26 ILE HA 1 29 ARG QD 4.660 . 4.660 3.366 2.630 4.248 . 0 0 "[ . 1 . 2]" 1
334 1 26 ILE HA 1 54 ALA MB 4.150 . 4.150 4.121 3.645 4.362 0.212 8 0 "[ . 1 . 2]" 1
335 1 26 ILE HB 1 27 GLY H 3.940 . 3.940 3.961 3.905 4.020 0.080 8 0 "[ . 1 . 2]" 1
336 1 26 ILE HB 1 27 GLY QA 5.340 . 5.340 5.173 5.052 5.213 . 0 0 "[ . 1 . 2]" 1
337 1 26 ILE MD 1 26 ILE MG 3.340 . 3.340 3.174 3.132 3.225 . 0 0 "[ . 1 . 2]" 1
338 1 26 ILE MD 1 29 ARG QB 4.240 . 4.240 3.024 2.592 3.288 . 0 0 "[ . 1 . 2]" 1
339 1 26 ILE MD 1 29 ARG QD 4.090 . 4.090 2.558 1.761 3.310 0.039 1 0 "[ . 1 . 2]" 1
340 1 26 ILE MD 1 29 ARG QG 5.220 . 5.220 3.996 3.237 4.538 . 0 0 "[ . 1 . 2]" 1
341 1 26 ILE MD 1 54 ALA HA 4.330 . 4.330 3.187 2.422 3.593 . 0 0 "[ . 1 . 2]" 1
342 1 26 ILE MD 1 54 ALA MB 4.280 . 4.280 2.137 1.816 2.556 . 0 0 "[ . 1 . 2]" 1
343 1 26 ILE QG 1 54 ALA MB 4.380 . 4.380 3.167 2.608 3.557 . 0 0 "[ . 1 . 2]" 1
344 1 26 ILE MG 1 27 GLY H 4.100 . 4.100 2.291 2.204 2.432 . 0 0 "[ . 1 . 2]" 1
345 1 26 ILE MG 1 27 GLY QA 4.530 . 4.530 3.013 2.881 3.098 . 0 0 "[ . 1 . 2]" 1
346 1 26 ILE MG 1 30 VAL QG 4.250 . 4.250 3.493 2.891 3.995 . 0 0 "[ . 1 . 2]" 1
347 1 26 ILE MG 1 55 THR HB 5.500 . 5.500 5.321 4.750 5.556 0.056 8 0 "[ . 1 . 2]" 1
348 1 26 ILE MG 1 55 THR MG 3.810 . 3.810 3.336 2.656 3.672 . 0 0 "[ . 1 . 2]" 1
349 1 27 GLY H 1 28 GLU H 3.650 . 3.650 2.545 2.418 2.731 . 0 0 "[ . 1 . 2]" 1
350 1 27 GLY H 1 28 GLU QB 5.500 . 5.500 4.432 4.198 4.726 . 0 0 "[ . 1 . 2]" 1
351 1 27 GLY H 1 29 ARG H 4.440 . 4.440 4.180 3.971 4.376 . 0 0 "[ . 1 . 2]" 1
352 1 27 GLY H 1 29 ARG QB 5.500 . 5.500 4.942 4.631 5.297 . 0 0 "[ . 1 . 2]" 1
353 1 27 GLY QA 1 30 VAL HB 5.220 . 5.220 3.160 2.343 4.597 . 0 0 "[ . 1 . 2]" 1
354 1 27 GLY QA 1 30 VAL QG 4.700 . 4.700 2.868 1.755 3.551 0.045 14 0 "[ . 1 . 2]" 1
355 1 28 GLU H 1 28 GLU QB 3.320 . 3.320 2.378 2.206 2.595 . 0 0 "[ . 1 . 2]" 1
356 1 28 GLU H 1 29 ARG H 3.540 . 3.540 2.370 2.235 2.530 . 0 0 "[ . 1 . 2]" 1
357 1 28 GLU HA 1 28 GLU QG 3.730 . 3.730 2.605 2.320 3.001 . 0 0 "[ . 1 . 2]" 1
358 1 28 GLU HA 1 31 ARG H 4.160 . 4.160 3.550 3.061 4.012 . 0 0 "[ . 1 . 2]" 1
359 1 28 GLU HA 1 31 ARG QD 4.390 . 4.390 3.439 2.594 4.414 0.024 11 0 "[ . 1 . 2]" 1
360 1 28 GLU HA 1 31 ARG HG2 4.800 . 4.800 4.088 2.133 4.997 0.197 8 0 "[ . 1 . 2]" 1
361 1 28 GLU HA 1 31 ARG QG 4.180 . 4.180 3.571 2.111 4.319 0.139 3 0 "[ . 1 . 2]" 1
362 1 28 GLU HA 1 31 ARG HG3 4.800 . 4.800 4.142 2.410 4.917 0.117 17 0 "[ . 1 . 2]" 1
363 1 28 GLU QG 1 29 ARG H 4.140 . 4.140 3.780 3.128 4.074 . 0 0 "[ . 1 . 2]" 1
364 1 28 GLU QG 1 31 ARG H 5.440 . 5.440 5.156 4.589 5.546 0.106 11 0 "[ . 1 . 2]" 1
365 1 28 GLU QG 1 32 THR H 4.770 . 4.770 4.548 4.087 4.842 0.072 9 0 "[ . 1 . 2]" 1
366 1 28 GLU QG 1 32 THR MG 5.090 . 5.090 4.963 4.455 5.182 0.092 14 0 "[ . 1 . 2]" 1
367 1 29 ARG H 1 29 ARG QB 3.180 . 3.180 2.254 2.131 2.509 . 0 0 "[ . 1 . 2]" 1
368 1 29 ARG H 1 30 VAL H 3.690 . 3.690 2.780 2.655 2.935 . 0 0 "[ . 1 . 2]" 1
369 1 29 ARG HA 1 29 ARG QD 4.690 . 4.690 4.093 3.845 4.403 . 0 0 "[ . 1 . 2]" 1
370 1 29 ARG HA 1 29 ARG QG 3.700 . 3.700 2.470 2.337 2.650 . 0 0 "[ . 1 . 2]" 1
371 1 29 ARG HA 1 32 THR H 4.310 . 4.310 3.432 3.083 3.846 . 0 0 "[ . 1 . 2]" 1
372 1 29 ARG HA 1 32 THR HB 3.990 . 3.990 2.761 2.349 3.435 . 0 0 "[ . 1 . 2]" 1
373 1 29 ARG HA 1 32 THR MG 4.780 . 4.780 3.913 3.603 4.730 . 0 0 "[ . 1 . 2]" 1
374 1 29 ARG QB 1 29 ARG QD 3.430 . 3.430 2.202 1.994 2.447 . 0 0 "[ . 1 . 2]" 1
375 1 29 ARG QB 1 30 VAL H 3.440 . 3.440 2.561 2.258 2.879 . 0 0 "[ . 1 . 2]" 1
376 1 29 ARG QB 1 30 VAL QG 3.860 . 3.860 3.229 2.881 3.431 . 0 0 "[ . 1 . 2]" 1
377 1 29 ARG QB 1 32 THR HB 5.500 . 5.500 4.631 4.133 5.398 . 0 0 "[ . 1 . 2]" 1
378 1 29 ARG QB 1 54 ALA MB 3.990 . 3.990 3.615 2.718 4.006 0.016 2 0 "[ . 1 . 2]" 1
379 1 29 ARG QD 1 30 VAL QG 4.410 . 4.410 4.171 3.381 4.506 0.096 1 0 "[ . 1 . 2]" 1
380 1 29 ARG QD 1 54 ALA HA 5.220 . 5.220 4.215 3.479 4.919 . 0 0 "[ . 1 . 2]" 1
381 1 29 ARG QD 1 54 ALA MB 3.870 . 3.870 2.574 1.970 3.252 . 0 0 "[ . 1 . 2]" 1
382 1 29 ARG QG 1 30 VAL H 4.490 . 4.490 3.670 3.257 4.175 . 0 0 "[ . 1 . 2]" 1
383 1 29 ARG QG 1 54 ALA MB 4.210 . 4.210 3.313 2.739 4.245 0.035 1 0 "[ . 1 . 2]" 1
384 1 30 VAL H 1 30 VAL HB 3.720 . 3.720 2.589 2.164 3.656 . 0 0 "[ . 1 . 2]" 1
385 1 30 VAL H 1 30 VAL MG1 3.890 . 3.890 3.299 2.214 3.714 . 0 0 "[ . 1 . 2]" 1
386 1 30 VAL H 1 30 VAL QG 3.120 . 3.120 2.212 1.818 2.474 . 0 0 "[ . 1 . 2]" 1
387 1 30 VAL H 1 30 VAL MG2 3.890 . 3.890 2.268 1.932 2.518 . 0 0 "[ . 1 . 2]" 1
388 1 30 VAL H 1 31 ARG H 3.680 . 3.680 2.707 2.322 2.915 . 0 0 "[ . 1 . 2]" 1
389 1 30 VAL H 1 55 THR MG 5.500 . 5.500 4.892 4.624 5.187 . 0 0 "[ . 1 . 2]" 1
390 1 30 VAL HA 1 30 VAL MG1 3.530 . 3.530 2.544 2.345 2.756 . 0 0 "[ . 1 . 2]" 1
391 1 30 VAL HA 1 30 VAL QG 3.000 . 3.000 2.169 2.099 2.317 . 0 0 "[ . 1 . 2]" 1
392 1 30 VAL HA 1 30 VAL MG2 3.530 . 3.530 2.494 2.205 3.240 . 0 0 "[ . 1 . 2]" 1
393 1 30 VAL HA 1 33 LEU H 4.240 . 4.240 3.443 3.209 3.609 . 0 0 "[ . 1 . 2]" 1
394 1 30 VAL HA 1 33 LEU HB2 4.380 . 4.380 2.916 2.517 3.110 . 0 0 "[ . 1 . 2]" 1
395 1 30 VAL HA 1 33 LEU HB3 4.610 . 4.610 4.518 4.109 4.687 0.077 8 0 "[ . 1 . 2]" 1
396 1 30 VAL HA 1 33 LEU QD 3.800 . 3.800 2.979 2.334 3.325 . 0 0 "[ . 1 . 2]" 1
397 1 30 VAL HA 1 33 LEU HG 4.760 . 4.760 4.523 4.077 4.831 0.071 15 0 "[ . 1 . 2]" 1
398 1 30 VAL HA 1 51 LEU QD 4.190 . 4.190 2.734 1.916 3.627 . 0 0 "[ . 1 . 2]" 1
399 1 30 VAL HA 1 51 LEU HG 4.930 . 4.930 3.625 2.794 4.933 0.003 6 0 "[ . 1 . 2]" 1
400 1 30 VAL HA 1 54 ALA MB 4.900 . 4.900 4.339 3.969 4.663 . 0 0 "[ . 1 . 2]" 1
401 1 30 VAL HA 1 55 THR MG 5.200 . 5.200 4.784 4.461 5.043 . 0 0 "[ . 1 . 2]" 1
402 1 30 VAL HB 1 31 ARG H 3.770 . 3.770 3.014 2.659 3.808 0.038 17 0 "[ . 1 . 2]" 1
403 1 30 VAL HB 1 31 ARG HA 5.260 . 5.260 4.659 4.353 4.822 . 0 0 "[ . 1 . 2]" 1
404 1 30 VAL QG 1 31 ARG HA 4.470 . 4.470 3.289 3.045 3.524 . 0 0 "[ . 1 . 2]" 1
405 1 30 VAL QG 1 33 LEU HB2 4.660 . 4.660 3.912 3.501 4.410 . 0 0 "[ . 1 . 2]" 1
406 1 30 VAL QG 1 34 VAL H 5.000 . 5.000 4.271 3.795 4.986 . 0 0 "[ . 1 . 2]" 1
407 1 30 VAL QG 1 34 VAL HB 5.250 . 5.250 4.667 3.611 5.307 0.057 20 0 "[ . 1 . 2]" 1
408 1 30 VAL QG 1 34 VAL QG 4.590 . 4.590 3.152 2.608 4.050 . 0 0 "[ . 1 . 2]" 1
409 1 30 VAL QG 1 51 LEU HA 4.130 . 4.130 3.150 2.782 3.526 . 0 0 "[ . 1 . 2]" 1
410 1 30 VAL QG 1 51 LEU QD 3.400 . 3.400 1.926 1.691 2.710 0.109 18 0 "[ . 1 . 2]" 1
411 1 30 VAL QG 1 51 LEU HG 4.350 . 4.350 2.217 1.788 3.154 0.012 19 0 "[ . 1 . 2]" 1
412 1 30 VAL QG 1 54 ALA MB 4.510 . 4.510 2.870 2.477 3.096 . 0 0 "[ . 1 . 2]" 1
413 1 30 VAL QG 1 55 THR HB 5.440 . 5.440 4.405 4.204 4.655 . 0 0 "[ . 1 . 2]" 1
414 1 30 VAL QG 1 55 THR MG 3.320 . 3.320 2.122 1.974 2.338 . 0 0 "[ . 1 . 2]" 1
415 1 30 VAL MG1 1 31 ARG H 4.340 . 4.340 3.321 2.834 4.062 . 0 0 "[ . 1 . 2]" 1
416 1 30 VAL MG2 1 31 ARG H 4.340 . 4.340 3.587 2.134 4.157 . 0 0 "[ . 1 . 2]" 1
417 1 31 ARG H 1 31 ARG QB 3.280 . 3.280 2.293 2.079 2.552 . 0 0 "[ . 1 . 2]" 1
418 1 31 ARG H 1 31 ARG QG 4.540 . 4.540 3.403 2.214 4.042 . 0 0 "[ . 1 . 2]" 1
419 1 31 ARG HA 1 31 ARG QD 4.490 . 4.490 4.080 3.636 4.575 0.085 10 0 "[ . 1 . 2]" 1
420 1 31 ARG HA 1 31 ARG QG 3.630 . 3.630 2.856 2.349 3.552 . 0 0 "[ . 1 . 2]" 1
421 1 31 ARG HA 1 34 VAL HB 4.500 . 4.500 3.129 2.531 4.568 0.068 13 0 "[ . 1 . 2]" 1
422 1 31 ARG HA 1 34 VAL MG1 4.820 . 4.820 3.771 1.776 4.822 0.024 18 0 "[ . 1 . 2]" 1
423 1 31 ARG HA 1 34 VAL QG 3.910 . 3.910 2.550 1.775 3.732 0.025 18 0 "[ . 1 . 2]" 1
424 1 31 ARG HA 1 34 VAL MG2 4.820 . 4.820 3.120 1.868 4.851 0.031 5 0 "[ . 1 . 2]" 1
425 1 31 ARG HA 1 35 LEU QD 5.140 . 5.140 3.831 3.313 4.449 . 0 0 "[ . 1 . 2]" 1
426 1 31 ARG QB 1 32 THR H 3.520 . 3.520 2.964 2.526 3.600 0.080 11 0 "[ . 1 . 2]" 1
427 1 31 ARG QB 1 32 THR HB 5.500 . 5.500 5.024 4.287 5.622 0.122 11 0 "[ . 1 . 2]" 1
428 1 31 ARG QB 1 35 LEU MD1 5.400 . 5.400 4.067 2.564 5.361 . 0 0 "[ . 1 . 2]" 1
429 1 31 ARG QB 1 35 LEU QD 4.020 . 4.020 3.453 2.320 4.027 0.007 3 0 "[ . 1 . 2]" 1
430 1 31 ARG QB 1 35 LEU MD2 5.400 . 5.400 4.333 2.325 5.254 . 0 0 "[ . 1 . 2]" 1
431 1 31 ARG QD 1 32 THR HA 5.180 . 5.180 3.842 2.722 4.658 . 0 0 "[ . 1 . 2]" 1
432 1 31 ARG QD 1 32 THR HB 5.500 . 5.500 5.322 4.541 5.704 0.204 17 0 "[ . 1 . 2]" 1
433 1 31 ARG QD 1 35 LEU HB2 5.070 . 5.070 4.756 3.719 5.348 0.278 6 0 "[ . 1 . 2]" 1
434 1 31 ARG QD 1 35 LEU QD 4.420 . 4.420 2.708 1.921 3.813 . 0 0 "[ . 1 . 2]" 1
435 1 31 ARG QG 1 32 THR H 4.720 . 4.720 3.240 2.239 4.331 . 0 0 "[ . 1 . 2]" 1
436 1 31 ARG QG 1 32 THR HA 5.180 . 5.180 3.676 2.726 4.732 . 0 0 "[ . 1 . 2]" 1
437 1 32 THR H 1 32 THR HB 3.480 . 3.480 2.373 2.162 2.592 . 0 0 "[ . 1 . 2]" 1
438 1 32 THR H 1 32 THR MG 3.790 . 3.790 3.720 3.629 3.790 0.000 16 0 "[ . 1 . 2]" 1
439 1 32 THR H 1 33 LEU H 3.590 . 3.590 2.615 2.525 2.692 . 0 0 "[ . 1 . 2]" 1
440 1 32 THR H 1 33 LEU HB2 4.600 . 4.600 4.581 4.438 4.649 0.049 4 0 "[ . 1 . 2]" 1
441 1 32 THR H 1 35 LEU HB2 5.450 . 5.450 4.970 4.474 5.294 . 0 0 "[ . 1 . 2]" 1
442 1 32 THR HA 1 32 THR MG 3.260 . 3.260 2.494 2.338 2.675 . 0 0 "[ . 1 . 2]" 1
443 1 32 THR HA 1 35 LEU HB2 3.770 . 3.770 2.633 2.335 2.893 . 0 0 "[ . 1 . 2]" 1
444 1 32 THR HA 1 35 LEU HB3 4.480 . 4.480 4.084 3.102 4.457 . 0 0 "[ . 1 . 2]" 1
445 1 32 THR HA 1 35 LEU QD 3.660 . 3.660 2.851 2.457 3.434 . 0 0 "[ . 1 . 2]" 1
446 1 32 THR HA 1 35 LEU HG 5.150 . 5.150 4.467 3.334 5.264 0.114 5 0 "[ . 1 . 2]" 1
447 1 32 THR HA 1 36 GLY H 4.720 . 4.720 4.209 3.909 4.490 . 0 0 "[ . 1 . 2]" 1
448 1 32 THR HB 1 33 LEU H 4.190 . 4.190 2.741 2.550 3.275 . 0 0 "[ . 1 . 2]" 1
449 1 32 THR HB 1 33 LEU QD 5.110 . 5.110 3.583 2.717 4.623 . 0 0 "[ . 1 . 2]" 1
450 1 32 THR HB 1 35 LEU QD 5.440 . 5.440 5.173 4.907 5.514 0.074 6 0 "[ . 1 . 2]" 1
451 1 32 THR MG 1 33 LEU H 4.380 . 4.380 3.429 3.142 3.722 . 0 0 "[ . 1 . 2]" 1
452 1 32 THR MG 1 33 LEU HA 3.950 . 3.950 3.514 3.218 3.738 . 0 0 "[ . 1 . 2]" 1
453 1 32 THR MG 1 33 LEU MD1 4.330 . 4.330 4.183 3.629 4.462 0.132 6 0 "[ . 1 . 2]" 1
454 1 32 THR MG 1 33 LEU QD 3.770 . 3.770 3.343 2.768 3.767 . 0 0 "[ . 1 . 2]" 1
455 1 32 THR MG 1 33 LEU MD2 4.330 . 4.330 3.535 2.871 4.081 . 0 0 "[ . 1 . 2]" 1
456 1 32 THR MG 1 35 LEU HB2 4.120 . 4.120 4.016 3.769 4.165 0.045 18 0 "[ . 1 . 2]" 1
457 1 32 THR MG 1 35 LEU QD 4.680 . 4.680 4.054 3.362 4.774 0.094 6 0 "[ . 1 . 2]" 1
458 1 33 LEU H 1 33 LEU MD1 4.200 . 4.200 3.626 3.269 3.932 . 0 0 "[ . 1 . 2]" 1
459 1 33 LEU H 1 33 LEU QD 3.620 . 3.620 2.845 2.349 3.419 . 0 0 "[ . 1 . 2]" 1
460 1 33 LEU H 1 33 LEU MD2 4.200 . 4.200 3.262 2.373 4.124 . 0 0 "[ . 1 . 2]" 1
461 1 33 LEU H 1 33 LEU HG 4.220 . 4.220 3.582 2.755 4.257 0.037 17 0 "[ . 1 . 2]" 1
462 1 33 LEU H 1 34 VAL H 3.760 . 3.760 2.684 2.603 2.793 . 0 0 "[ . 1 . 2]" 1
463 1 33 LEU H 1 34 VAL QG 4.500 . 4.500 3.950 3.754 4.179 . 0 0 "[ . 1 . 2]" 1
464 1 33 LEU HA 1 33 LEU MD1 3.760 . 3.760 2.829 1.807 3.792 0.032 10 0 "[ . 1 . 2]" 1
465 1 33 LEU HA 1 33 LEU QD 2.900 . 2.900 2.020 1.783 2.275 0.017 1 0 "[ . 1 . 2]" 1
466 1 33 LEU HA 1 33 LEU MD2 3.760 . 3.760 2.435 2.117 2.748 . 0 0 "[ . 1 . 2]" 1
467 1 33 LEU HA 1 36 GLY H 4.280 . 4.280 3.182 3.039 3.317 . 0 0 "[ . 1 . 2]" 1
468 1 33 LEU HA 1 42 LEU HG 3.650 . 3.650 3.486 3.069 3.710 0.060 18 0 "[ . 1 . 2]" 1
469 1 33 LEU HA 1 47 PHE QD 4.720 . 4.720 3.742 3.510 3.971 . 0 0 "[ . 1 . 2]" 1
470 1 33 LEU HB2 1 33 LEU MD1 3.670 . 3.670 2.701 2.172 3.206 . 0 0 "[ . 1 . 2]" 1
471 1 33 LEU HB2 1 33 LEU MD2 3.670 . 3.670 2.748 2.293 3.195 . 0 0 "[ . 1 . 2]" 1
472 1 33 LEU HB2 1 34 VAL H 4.470 . 4.470 2.991 2.856 3.168 . 0 0 "[ . 1 . 2]" 1
473 1 33 LEU HB2 1 47 PHE QD 4.520 . 4.520 3.669 3.357 4.054 . 0 0 "[ . 1 . 2]" 1
474 1 33 LEU HB2 1 47 PHE QE 4.810 . 4.810 3.651 3.250 4.208 . 0 0 "[ . 1 . 2]" 1
475 1 33 LEU HB2 1 51 LEU QB 4.360 . 4.360 3.644 2.977 4.210 . 0 0 "[ . 1 . 2]" 1
476 1 33 LEU HB3 1 33 LEU MD1 3.320 . 3.320 2.482 2.403 2.600 . 0 0 "[ . 1 . 2]" 1
477 1 33 LEU HB3 1 33 LEU QD 2.850 . 2.850 2.226 2.062 2.424 . 0 0 "[ . 1 . 2]" 1
478 1 33 LEU HB3 1 33 LEU MD2 3.320 . 3.320 2.721 2.188 3.228 . 0 0 "[ . 1 . 2]" 1
479 1 33 LEU HB3 1 34 VAL H 5.200 . 5.200 3.489 3.314 3.645 . 0 0 "[ . 1 . 2]" 1
480 1 33 LEU HB3 1 47 PHE HA 5.190 . 5.190 3.527 3.118 3.776 . 0 0 "[ . 1 . 2]" 1
481 1 33 LEU HB3 1 47 PHE QD 4.060 . 4.060 2.070 1.805 2.386 . 0 0 "[ . 1 . 2]" 1
482 1 33 LEU HB3 1 47 PHE QE 4.270 . 4.270 3.030 2.730 3.450 . 0 0 "[ . 1 . 2]" 1
483 1 33 LEU HB3 1 51 LEU H 4.590 . 4.590 4.245 3.956 4.577 . 0 0 "[ . 1 . 2]" 1
484 1 33 LEU HB3 1 51 LEU QB 3.700 . 3.700 3.318 2.580 3.718 0.018 9 0 "[ . 1 . 2]" 1
485 1 33 LEU HB3 1 51 LEU QD 4.370 . 4.370 3.037 2.206 4.024 . 0 0 "[ . 1 . 2]" 1
486 1 33 LEU QD 1 34 VAL H 5.440 . 5.440 4.148 4.017 4.288 . 0 0 "[ . 1 . 2]" 1
487 1 33 LEU QD 1 36 GLY HA3 5.070 . 5.070 3.987 3.659 4.441 . 0 0 "[ . 1 . 2]" 1
488 1 33 LEU QD 1 42 LEU HG 3.260 . 3.260 2.203 1.926 2.570 . 0 0 "[ . 1 . 2]" 1
489 1 33 LEU QD 1 47 PHE HA 3.940 . 3.940 2.412 2.043 2.716 . 0 0 "[ . 1 . 2]" 1
490 1 33 LEU QD 1 47 PHE HB2 3.680 . 3.680 3.660 3.407 3.731 0.051 15 0 "[ . 1 . 2]" 1
491 1 33 LEU QD 1 47 PHE QD 4.420 . 4.420 2.997 2.816 3.240 . 0 0 "[ . 1 . 2]" 1
492 1 33 LEU QD 1 50 LYS HA 4.720 . 4.720 4.359 3.898 4.717 . 0 0 "[ . 1 . 2]" 1
493 1 33 LEU QD 1 50 LYS QB 3.440 . 3.440 2.328 2.023 2.568 . 0 0 "[ . 1 . 2]" 1
494 1 33 LEU QD 1 50 LYS QD 3.110 . 3.110 2.412 1.810 3.220 0.110 20 0 "[ . 1 . 2]" 1
495 1 33 LEU QD 1 50 LYS QE 4.130 . 4.130 2.870 2.156 3.283 . 0 0 "[ . 1 . 2]" 1
496 1 33 LEU QD 1 51 LEU H 4.940 . 4.940 3.040 2.278 3.834 . 0 0 "[ . 1 . 2]" 1
497 1 33 LEU QD 1 51 LEU HA 3.900 . 3.900 2.976 1.868 3.946 0.046 7 0 "[ . 1 . 2]" 1
498 1 33 LEU QD 1 54 ALA MB 4.010 . 4.010 3.653 3.017 4.071 0.061 19 0 "[ . 1 . 2]" 1
499 1 33 LEU MD1 1 47 PHE HA 5.070 . 5.070 3.161 2.045 4.186 . 0 0 "[ . 1 . 2]" 1
500 1 33 LEU MD1 1 50 LYS QB 4.010 . 4.010 2.552 2.126 2.841 . 0 0 "[ . 1 . 2]" 1
501 1 33 LEU MD1 1 51 LEU HA 5.110 . 5.110 3.605 1.871 5.179 0.069 3 0 "[ . 1 . 2]" 1
502 1 33 LEU MD2 1 47 PHE HA 5.070 . 5.070 3.707 2.297 5.135 0.065 3 0 "[ . 1 . 2]" 1
503 1 33 LEU MD2 1 50 LYS QB 4.010 . 4.010 2.764 2.222 3.214 . 0 0 "[ . 1 . 2]" 1
504 1 33 LEU MD2 1 51 LEU HA 5.110 . 5.110 4.097 3.557 4.692 . 0 0 "[ . 1 . 2]" 1
505 1 33 LEU HG 1 34 VAL H 5.500 . 5.500 5.130 4.791 5.455 . 0 0 "[ . 1 . 2]" 1
506 1 33 LEU HG 1 50 LYS QE 5.040 . 5.040 5.050 4.611 5.184 0.144 7 0 "[ . 1 . 2]" 1
507 1 33 LEU HG 1 51 LEU QD 4.800 . 4.800 4.201 3.265 4.877 0.077 5 0 "[ . 1 . 2]" 1
508 1 34 VAL H 1 34 VAL MG1 4.490 . 4.490 3.408 2.130 3.814 . 0 0 "[ . 1 . 2]" 1
509 1 34 VAL H 1 34 VAL MG2 4.490 . 4.490 2.359 1.875 3.845 . 0 0 "[ . 1 . 2]" 1
510 1 34 VAL H 1 35 LEU H 3.810 . 3.810 2.545 2.457 2.646 . 0 0 "[ . 1 . 2]" 1
511 1 34 VAL H 1 37 LEU QB 5.340 . 5.340 4.777 4.595 5.012 . 0 0 "[ . 1 . 2]" 1
512 1 34 VAL HA 1 34 VAL MG1 3.690 . 3.690 2.553 2.186 3.250 . 0 0 "[ . 1 . 2]" 1
513 1 34 VAL HA 1 34 VAL MG2 3.690 . 3.690 2.448 2.206 3.186 . 0 0 "[ . 1 . 2]" 1
514 1 34 VAL HA 1 37 LEU H 4.440 . 4.440 3.313 3.064 3.588 . 0 0 "[ . 1 . 2]" 1
515 1 34 VAL HA 1 37 LEU HB2 4.230 . 4.230 3.082 2.757 3.504 . 0 0 "[ . 1 . 2]" 1
516 1 34 VAL HA 1 37 LEU QB 3.640 . 3.640 2.489 2.322 2.675 . 0 0 "[ . 1 . 2]" 1
517 1 34 VAL HA 1 37 LEU HB3 4.230 . 4.230 2.635 2.493 2.843 . 0 0 "[ . 1 . 2]" 1
518 1 34 VAL HA 1 37 LEU MD1 5.230 . 5.230 4.775 4.431 5.098 . 0 0 "[ . 1 . 2]" 1
519 1 34 VAL HA 1 37 LEU QD 4.230 . 4.230 3.350 3.191 3.595 . 0 0 "[ . 1 . 2]" 1
520 1 34 VAL HA 1 37 LEU MD2 5.230 . 5.230 3.423 3.246 3.691 . 0 0 "[ . 1 . 2]" 1
521 1 34 VAL HA 1 47 PHE QE 3.910 . 3.910 2.371 2.022 2.720 . 0 0 "[ . 1 . 2]" 1
522 1 34 VAL HB 1 35 LEU H 4.020 . 4.020 3.003 2.546 3.984 . 0 0 "[ . 1 . 2]" 1
523 1 34 VAL HB 1 35 LEU HA 5.500 . 5.500 4.555 4.170 5.636 0.136 19 0 "[ . 1 . 2]" 1
524 1 34 VAL HB 1 35 LEU QD 5.440 . 5.440 3.626 2.745 5.461 0.021 7 0 "[ . 1 . 2]" 1
525 1 34 VAL HB 1 47 PHE QE 5.170 . 5.170 3.861 2.431 4.340 . 0 0 "[ . 1 . 2]" 1
526 1 34 VAL QG 1 35 LEU H 3.970 . 3.970 3.048 2.228 3.333 . 0 0 "[ . 1 . 2]" 1
527 1 34 VAL QG 1 36 GLY H 5.430 . 5.430 4.561 4.172 4.777 . 0 0 "[ . 1 . 2]" 1
528 1 34 VAL QG 1 37 LEU QD 3.430 . 3.430 2.918 2.575 3.290 . 0 0 "[ . 1 . 2]" 1
529 1 34 VAL QG 1 47 PHE QD 4.650 . 4.650 3.867 3.596 4.371 . 0 0 "[ . 1 . 2]" 1
530 1 34 VAL QG 1 47 PHE QE 3.880 . 3.880 2.149 1.778 3.067 0.022 16 0 "[ . 1 . 2]" 1
531 1 34 VAL QG 1 47 PHE HZ 4.950 . 4.950 2.483 2.083 3.176 . 0 0 "[ . 1 . 2]" 1
532 1 34 VAL MG1 1 35 LEU H 4.550 . 4.550 3.394 2.247 4.226 . 0 0 "[ . 1 . 2]" 1
533 1 34 VAL MG2 1 35 LEU H 4.550 . 4.550 3.712 2.532 4.035 . 0 0 "[ . 1 . 2]" 1
534 1 35 LEU H 1 35 LEU HB3 3.840 . 3.840 3.530 2.904 3.696 . 0 0 "[ . 1 . 2]" 1
535 1 35 LEU H 1 35 LEU QD 4.250 . 4.250 2.744 2.347 3.230 . 0 0 "[ . 1 . 2]" 1
536 1 35 LEU H 1 35 LEU HG 4.160 . 4.160 3.685 2.423 4.285 0.125 7 0 "[ . 1 . 2]" 1
537 1 35 LEU H 1 36 GLY H 3.880 . 3.880 2.631 2.559 2.777 . 0 0 "[ . 1 . 2]" 1
538 1 35 LEU H 1 37 LEU H 4.610 . 4.610 3.894 3.724 4.039 . 0 0 "[ . 1 . 2]" 1
539 1 35 LEU HA 1 35 LEU QD 3.040 . 3.040 2.107 1.810 2.542 . 0 0 "[ . 1 . 2]" 1
540 1 35 LEU HA 1 38 VAL H 4.260 . 4.260 3.409 3.162 3.692 . 0 0 "[ . 1 . 2]" 1
541 1 35 LEU HA 1 38 VAL HB 5.500 . 5.500 4.154 2.301 5.268 . 0 0 "[ . 1 . 2]" 1
542 1 35 LEU HA 1 38 VAL QG 2.980 . 2.980 2.261 1.766 3.098 0.118 13 0 "[ . 1 . 2]" 1
543 1 35 LEU HB2 1 35 LEU MD1 3.090 . 3.090 2.551 2.269 3.170 0.080 18 0 "[ . 1 . 2]" 1
544 1 35 LEU HB2 1 35 LEU MD2 3.090 . 3.090 2.597 2.188 3.161 0.071 1 0 "[ . 1 . 2]" 1
545 1 35 LEU HB2 1 36 GLY H 4.140 . 4.140 2.886 2.560 3.206 . 0 0 "[ . 1 . 2]" 1
546 1 35 LEU HB3 1 35 LEU MD1 3.660 . 3.660 2.788 2.307 3.299 . 0 0 "[ . 1 . 2]" 1
547 1 35 LEU HB3 1 35 LEU QD 3.140 . 3.140 2.246 2.090 2.390 . 0 0 "[ . 1 . 2]" 1
548 1 35 LEU HB3 1 35 LEU MD2 3.660 . 3.660 2.540 2.227 3.228 . 0 0 "[ . 1 . 2]" 1
549 1 35 LEU HB3 1 36 GLY H 3.900 . 3.900 3.344 2.470 3.707 . 0 0 "[ . 1 . 2]" 1
550 1 35 LEU QD 1 36 GLY H 4.690 . 4.690 4.039 3.950 4.195 . 0 0 "[ . 1 . 2]" 1
551 1 35 LEU MD1 1 36 GLY H 5.500 . 5.500 4.507 4.257 4.781 . 0 0 "[ . 1 . 2]" 1
552 1 35 LEU MD2 1 36 GLY H 5.500 . 5.500 4.596 4.279 4.781 . 0 0 "[ . 1 . 2]" 1
553 1 36 GLY H 1 37 LEU H 3.680 . 3.680 2.466 2.400 2.542 . 0 0 "[ . 1 . 2]" 1
554 1 36 GLY H 1 38 VAL QG 5.360 . 5.360 4.518 4.214 5.025 . 0 0 "[ . 1 . 2]" 1
555 1 36 GLY H 1 42 LEU HG 5.500 . 5.500 4.996 4.525 5.390 . 0 0 "[ . 1 . 2]" 1
556 1 36 GLY HA2 1 41 THR H 4.530 . 4.530 3.934 3.440 4.430 . 0 0 "[ . 1 . 2]" 1
557 1 36 GLY HA2 1 41 THR HB 4.230 . 4.230 2.577 2.113 4.118 . 0 0 "[ . 1 . 2]" 1
558 1 36 GLY HA2 1 41 THR MG 4.370 . 4.370 3.726 3.169 4.294 . 0 0 "[ . 1 . 2]" 1
559 1 36 GLY HA2 1 42 LEU QB 4.920 . 4.920 4.017 3.541 4.543 . 0 0 "[ . 1 . 2]" 1
560 1 36 GLY HA2 1 42 LEU HG 5.500 . 5.500 5.201 4.683 5.530 0.030 17 0 "[ . 1 . 2]" 1
561 1 36 GLY HA3 1 41 THR HB 4.390 . 4.390 3.401 2.987 4.432 0.042 3 0 "[ . 1 . 2]" 1
562 1 36 GLY HA3 1 42 LEU QB 4.410 . 4.410 2.978 2.532 3.407 . 0 0 "[ . 1 . 2]" 1
563 1 36 GLY HA3 1 42 LEU QD 5.440 . 5.440 1.794 1.706 2.183 0.094 8 0 "[ . 1 . 2]" 1
564 1 36 GLY HA3 1 42 LEU HG 4.170 . 4.170 3.570 3.115 3.894 . 0 0 "[ . 1 . 2]" 1
565 1 37 LEU H 1 37 LEU HB2 3.810 . 3.810 2.769 2.692 2.832 . 0 0 "[ . 1 . 2]" 1
566 1 37 LEU H 1 37 LEU QB 3.320 . 3.320 2.465 2.425 2.494 . 0 0 "[ . 1 . 2]" 1
567 1 37 LEU H 1 37 LEU HB3 3.810 . 3.810 2.767 2.695 2.855 . 0 0 "[ . 1 . 2]" 1
568 1 37 LEU H 1 37 LEU MD1 4.490 . 4.490 4.275 4.173 4.353 . 0 0 "[ . 1 . 2]" 1
569 1 37 LEU H 1 37 LEU MD2 4.490 . 4.490 4.493 4.428 4.530 0.040 7 0 "[ . 1 . 2]" 1
570 1 37 LEU H 1 38 VAL QG 4.210 . 4.210 3.945 3.733 4.269 0.059 18 0 "[ . 1 . 2]" 1
571 1 37 LEU H 1 42 LEU QD 4.730 . 4.730 3.628 3.271 4.062 . 0 0 "[ . 1 . 2]" 1
572 1 37 LEU HA 1 37 LEU MD1 4.300 . 4.300 2.165 2.083 2.286 . 0 0 "[ . 1 . 2]" 1
573 1 37 LEU HA 1 37 LEU QD 3.350 . 3.350 2.155 2.074 2.271 . 0 0 "[ . 1 . 2]" 1
574 1 37 LEU HA 1 37 LEU MD2 4.300 . 4.300 3.918 3.878 3.948 . 0 0 "[ . 1 . 2]" 1
575 1 37 LEU HA 1 40 SER H 4.120 . 4.120 3.791 3.496 3.934 . 0 0 "[ . 1 . 2]" 1
576 1 37 LEU HA 1 42 LEU H 3.980 . 3.980 3.228 2.970 3.596 . 0 0 "[ . 1 . 2]" 1
577 1 37 LEU HA 1 42 LEU QB 3.400 . 3.400 2.646 2.103 2.878 . 0 0 "[ . 1 . 2]" 1
578 1 37 LEU HA 1 42 LEU HG 5.170 . 5.170 4.862 4.332 5.195 0.025 16 0 "[ . 1 . 2]" 1
579 1 37 LEU QB 1 38 VAL H 3.690 . 3.690 2.322 2.197 2.461 . 0 0 "[ . 1 . 2]" 1
580 1 37 LEU QB 1 42 LEU HG 4.950 . 4.950 4.540 3.906 4.975 0.025 11 0 "[ . 1 . 2]" 1
581 1 37 LEU QB 1 47 PHE HB3 4.610 . 4.610 3.814 3.561 4.172 . 0 0 "[ . 1 . 2]" 1
582 1 37 LEU HB2 1 38 VAL H 4.310 . 4.310 3.748 3.663 3.843 . 0 0 "[ . 1 . 2]" 1
583 1 37 LEU HB2 1 47 PHE HB2 5.500 . 5.500 2.980 2.509 3.435 . 0 0 "[ . 1 . 2]" 1
584 1 37 LEU HB2 1 47 PHE QD 4.970 . 4.970 3.070 2.702 3.385 . 0 0 "[ . 1 . 2]" 1
585 1 37 LEU HB3 1 38 VAL H 4.310 . 4.310 2.345 2.214 2.491 . 0 0 "[ . 1 . 2]" 1
586 1 37 LEU HB3 1 47 PHE HB2 5.500 . 5.500 4.722 4.259 5.183 . 0 0 "[ . 1 . 2]" 1
587 1 37 LEU HB3 1 47 PHE QD 4.970 . 4.970 4.202 3.710 4.659 . 0 0 "[ . 1 . 2]" 1
588 1 37 LEU QD 1 38 VAL H 4.570 . 4.570 3.625 3.471 3.818 . 0 0 "[ . 1 . 2]" 1
589 1 37 LEU QD 1 38 VAL HA 4.570 . 4.570 4.054 3.829 4.251 . 0 0 "[ . 1 . 2]" 1
590 1 37 LEU QD 1 42 LEU QB 4.340 . 4.340 3.187 2.765 3.453 . 0 0 "[ . 1 . 2]" 1
591 1 37 LEU QD 1 42 LEU HG 5.440 . 5.440 4.856 4.382 5.268 . 0 0 "[ . 1 . 2]" 1
592 1 37 LEU QD 1 43 THR MG 5.440 . 5.440 4.936 4.585 5.313 . 0 0 "[ . 1 . 2]" 1
593 1 37 LEU QD 1 44 ILE H 4.500 . 4.500 3.975 3.630 4.264 . 0 0 "[ . 1 . 2]" 1
594 1 37 LEU QD 1 44 ILE HA 3.570 . 3.570 2.659 2.309 3.109 . 0 0 "[ . 1 . 2]" 1
595 1 37 LEU QD 1 44 ILE MD 4.040 . 4.040 3.630 2.118 4.197 0.157 7 0 "[ . 1 . 2]" 1
596 1 37 LEU QD 1 44 ILE QG 3.750 . 3.750 2.896 2.243 3.915 0.165 11 0 "[ . 1 . 2]" 1
597 1 37 LEU QD 1 44 ILE MG 4.170 . 4.170 3.408 2.966 3.979 . 0 0 "[ . 1 . 2]" 1
598 1 37 LEU QD 1 47 PHE H 5.440 . 5.440 4.138 3.962 4.295 . 0 0 "[ . 1 . 2]" 1
599 1 37 LEU QD 1 47 PHE HA 4.570 . 4.570 4.551 4.337 4.638 0.068 15 0 "[ . 1 . 2]" 1
600 1 37 LEU QD 1 47 PHE HB2 3.940 . 3.940 2.784 2.518 2.905 . 0 0 "[ . 1 . 2]" 1
601 1 37 LEU QD 1 47 PHE HB3 3.890 . 3.890 2.566 2.409 2.703 . 0 0 "[ . 1 . 2]" 1
602 1 37 LEU QD 1 47 PHE QD 3.620 . 3.620 2.643 2.495 2.852 . 0 0 "[ . 1 . 2]" 1
603 1 37 LEU QD 1 47 PHE QE 4.240 . 4.240 2.771 2.620 3.032 . 0 0 "[ . 1 . 2]" 1
604 1 37 LEU QD 1 63 VAL QG 4.110 . 4.110 3.615 3.279 3.980 . 0 0 "[ . 1 . 2]" 1
605 1 37 LEU QD 1 66 PHE QD 4.890 . 4.890 4.433 3.997 4.785 . 0 0 "[ . 1 . 2]" 1
606 1 37 LEU QD 1 67 LEU HA 4.960 . 4.960 4.903 4.410 5.047 0.087 8 0 "[ . 1 . 2]" 1
607 1 37 LEU QD 1 67 LEU MD1 3.270 . 3.270 2.487 1.759 3.063 0.041 19 0 "[ . 1 . 2]" 1
608 1 37 LEU QD 1 67 LEU MD2 3.170 . 3.170 2.062 1.761 2.433 0.039 20 0 "[ . 1 . 2]" 1
609 1 37 LEU MD1 1 38 VAL HA 5.500 . 5.500 4.802 4.496 5.121 . 0 0 "[ . 1 . 2]" 1
610 1 37 LEU MD1 1 47 PHE HB2 4.980 . 4.980 2.832 2.561 2.951 . 0 0 "[ . 1 . 2]" 1
611 1 37 LEU MD1 1 47 PHE HB3 5.280 . 5.280 2.599 2.436 2.738 . 0 0 "[ . 1 . 2]" 1
612 1 37 LEU MD1 1 47 PHE QD 4.390 . 4.390 2.968 2.642 3.184 . 0 0 "[ . 1 . 2]" 1
613 1 37 LEU MD1 1 67 LEU MD1 3.850 . 3.850 2.695 2.002 3.251 . 0 0 "[ . 1 . 2]" 1
614 1 37 LEU MD2 1 38 VAL HA 5.500 . 5.500 4.373 4.125 4.633 . 0 0 "[ . 1 . 2]" 1
615 1 37 LEU MD2 1 47 PHE HB2 4.980 . 4.980 4.107 3.711 4.492 . 0 0 "[ . 1 . 2]" 1
616 1 37 LEU MD2 1 47 PHE HB3 5.280 . 5.280 3.966 3.638 4.310 . 0 0 "[ . 1 . 2]" 1
617 1 37 LEU MD2 1 47 PHE QD 4.390 . 4.390 2.994 2.672 3.239 . 0 0 "[ . 1 . 2]" 1
618 1 37 LEU MD2 1 67 LEU MD1 3.850 . 3.850 2.953 1.875 3.744 . 0 0 "[ . 1 . 2]" 1
619 1 37 LEU HG 1 38 VAL QG 5.230 . 5.230 3.760 3.454 4.497 . 0 0 "[ . 1 . 2]" 1
620 1 37 LEU HG 1 40 SER H 4.860 . 4.860 4.905 4.803 4.962 0.102 10 0 "[ . 1 . 2]" 1
621 1 37 LEU HG 1 67 LEU MD2 5.500 . 5.500 4.310 3.922 4.783 . 0 0 "[ . 1 . 2]" 1
622 1 38 VAL H 1 38 VAL HB 3.840 . 3.840 3.174 2.278 3.683 . 0 0 "[ . 1 . 2]" 1
623 1 38 VAL H 1 38 VAL MG1 3.950 . 3.950 2.650 2.081 3.786 . 0 0 "[ . 1 . 2]" 1
624 1 38 VAL H 1 38 VAL QG 3.150 . 3.150 2.015 1.899 2.299 . 0 0 "[ . 1 . 2]" 1
625 1 38 VAL H 1 38 VAL MG2 3.950 . 3.950 2.314 2.024 3.760 . 0 0 "[ . 1 . 2]" 1
626 1 38 VAL H 1 39 ASN H 3.690 . 3.690 2.891 2.756 3.017 . 0 0 "[ . 1 . 2]" 1
627 1 38 VAL HA 1 38 VAL QG 3.020 . 3.020 2.254 2.122 2.339 . 0 0 "[ . 1 . 2]" 1
628 1 38 VAL HB 1 39 ASN H 4.320 . 4.320 3.570 2.457 4.166 . 0 0 "[ . 1 . 2]" 1
629 1 38 VAL QG 1 39 ASN H 3.520 . 3.520 2.561 2.263 3.249 . 0 0 "[ . 1 . 2]" 1
630 1 38 VAL QG 1 39 ASN HA 4.000 . 4.000 3.321 3.061 3.536 . 0 0 "[ . 1 . 2]" 1
631 1 38 VAL QG 1 39 ASN QB 3.920 . 3.920 3.602 2.974 4.057 0.137 14 0 "[ . 1 . 2]" 1
632 1 38 VAL MG1 1 39 ASN H 4.120 . 4.120 3.653 2.340 4.182 0.062 8 0 "[ . 1 . 2]" 1
633 1 38 VAL MG2 1 39 ASN H 4.120 . 4.120 2.999 2.275 4.075 . 0 0 "[ . 1 . 2]" 1
634 1 39 ASN H 1 39 ASN HB2 3.960 . 3.960 2.421 2.138 3.698 . 0 0 "[ . 1 . 2]" 1
635 1 39 ASN H 1 39 ASN HB3 3.960 . 3.960 3.239 2.222 3.604 . 0 0 "[ . 1 . 2]" 1
636 1 39 ASN H 1 40 SER H 3.610 . 3.610 2.648 2.319 2.816 . 0 0 "[ . 1 . 2]" 1
637 1 39 ASN H 1 41 THR H 4.290 . 4.290 4.339 3.981 4.507 0.217 17 0 "[ . 1 . 2]" 1
638 1 39 ASN QB 1 40 SER H 4.440 . 4.440 3.414 2.661 3.982 . 0 0 "[ . 1 . 2]" 1
639 1 39 ASN HB2 1 41 THR MG 4.960 . 4.960 4.609 4.242 5.049 0.089 9 0 "[ . 1 . 2]" 1
640 1 39 ASN HB3 1 41 THR MG 4.960 . 4.960 4.522 3.781 5.001 0.041 13 0 "[ . 1 . 2]" 1
641 1 40 SER H 1 41 THR H 3.460 . 3.460 2.823 2.498 2.938 . 0 0 "[ . 1 . 2]" 1
642 1 40 SER H 1 42 LEU H 4.250 . 4.250 4.224 4.000 4.334 0.084 14 0 "[ . 1 . 2]" 1
643 1 40 SER HA 1 41 THR HA 4.590 . 4.590 4.324 4.241 4.601 0.011 20 0 "[ . 1 . 2]" 1
644 1 41 THR H 1 41 THR HB 4.180 . 4.180 2.926 2.682 3.753 . 0 0 "[ . 1 . 2]" 1
645 1 41 THR H 1 41 THR MG 4.150 . 4.150 3.907 3.486 4.010 . 0 0 "[ . 1 . 2]" 1
646 1 41 THR H 1 42 LEU H 3.100 . 3.100 1.755 1.632 2.086 0.168 6 0 "[ . 1 . 2]" 1
647 1 41 THR H 1 42 LEU HA 4.870 . 4.870 4.446 4.249 4.804 . 0 0 "[ . 1 . 2]" 1
648 1 41 THR HA 1 41 THR MG 3.240 . 3.240 2.359 2.143 2.477 . 0 0 "[ . 1 . 2]" 1
649 1 41 THR HB 1 42 LEU H 3.660 . 3.660 3.409 2.110 3.886 0.226 3 0 "[ . 1 . 2]" 1
650 1 41 THR HB 1 42 LEU QB 5.150 . 5.150 4.165 3.868 4.751 . 0 0 "[ . 1 . 2]" 1
651 1 41 THR MG 1 42 LEU H 4.270 . 4.270 4.118 3.164 4.361 0.091 10 0 "[ . 1 . 2]" 1
652 1 41 THR MG 1 42 LEU QD 4.370 . 4.370 3.006 2.353 4.172 . 0 0 "[ . 1 . 2]" 1
653 1 42 LEU H 1 42 LEU HB2 3.780 . 3.780 2.562 2.293 2.661 . 0 0 "[ . 1 . 2]" 1
654 1 42 LEU H 1 42 LEU QB 3.190 . 3.190 2.500 2.272 2.595 . 0 0 "[ . 1 . 2]" 1
655 1 42 LEU H 1 42 LEU HB3 3.780 . 3.780 3.509 3.327 3.694 . 0 0 "[ . 1 . 2]" 1
656 1 42 LEU H 1 42 LEU QD 4.770 . 4.770 3.198 2.207 3.483 . 0 0 "[ . 1 . 2]" 1
657 1 42 LEU HA 1 42 LEU MD1 4.260 . 4.260 1.970 1.730 2.101 0.070 8 0 "[ . 1 . 2]" 1
658 1 42 LEU HA 1 42 LEU QD 3.210 . 3.210 1.906 1.697 1.996 0.103 8 0 "[ . 1 . 2]" 1
659 1 42 LEU HA 1 42 LEU MD2 4.260 . 4.260 2.583 2.345 2.795 . 0 0 "[ . 1 . 2]" 1
660 1 42 LEU HA 1 42 LEU HG 3.690 . 3.690 3.702 3.631 3.738 0.048 20 0 "[ . 1 . 2]" 1
661 1 42 LEU HA 1 43 THR H 3.230 . 3.230 2.160 1.894 2.300 . 0 0 "[ . 1 . 2]" 1
662 1 42 LEU QB 1 43 THR H 3.840 . 3.840 3.045 2.497 3.433 . 0 0 "[ . 1 . 2]" 1
663 1 42 LEU QB 1 46 GLU HB2 5.340 . 5.340 3.730 2.907 4.245 . 0 0 "[ . 1 . 2]" 1
664 1 42 LEU QB 1 47 PHE H 5.340 . 5.340 3.185 2.662 3.524 . 0 0 "[ . 1 . 2]" 1
665 1 42 LEU HB2 1 43 THR H 4.390 . 4.390 4.218 3.844 4.418 0.028 8 0 "[ . 1 . 2]" 1
666 1 42 LEU HB3 1 43 THR H 4.390 . 4.390 3.126 2.530 3.578 . 0 0 "[ . 1 . 2]" 1
667 1 42 LEU QD 1 43 THR H 4.080 . 4.080 2.708 2.370 2.919 . 0 0 "[ . 1 . 2]" 1
668 1 42 LEU QD 1 46 GLU HB2 4.520 . 4.520 2.574 2.293 2.936 . 0 0 "[ . 1 . 2]" 1
669 1 42 LEU QD 1 46 GLU HB3 3.320 . 3.320 2.227 1.804 2.897 . 0 0 "[ . 1 . 2]" 1
670 1 42 LEU QD 1 46 GLU QG 3.970 . 3.970 3.494 3.034 4.046 0.076 11 0 "[ . 1 . 2]" 1
671 1 42 LEU QD 1 47 PHE HA 4.620 . 4.620 3.036 2.392 3.592 . 0 0 "[ . 1 . 2]" 1
672 1 42 LEU QD 1 47 PHE HB2 4.230 . 4.230 3.357 2.637 3.848 . 0 0 "[ . 1 . 2]" 1
673 1 42 LEU QD 1 50 LYS QE 3.450 . 3.450 2.352 1.988 2.903 . 0 0 "[ . 1 . 2]" 1
674 1 42 LEU MD1 1 43 THR H 4.720 . 4.720 2.737 2.385 2.956 . 0 0 "[ . 1 . 2]" 1
675 1 42 LEU MD1 1 47 PHE H 5.500 . 5.500 3.039 2.530 3.630 . 0 0 "[ . 1 . 2]" 1
676 1 42 LEU MD1 1 47 PHE HA 5.440 . 5.440 3.081 2.399 3.687 . 0 0 "[ . 1 . 2]" 1
677 1 42 LEU MD1 1 47 PHE HB2 5.490 . 5.490 3.488 2.658 4.185 . 0 0 "[ . 1 . 2]" 1
678 1 42 LEU MD2 1 43 THR H 4.720 . 4.720 4.329 4.116 4.556 . 0 0 "[ . 1 . 2]" 1
679 1 42 LEU MD2 1 47 PHE H 5.500 . 5.500 5.381 5.154 5.565 0.065 18 0 "[ . 1 . 2]" 1
680 1 42 LEU MD2 1 47 PHE HA 5.440 . 5.440 4.718 4.381 5.055 . 0 0 "[ . 1 . 2]" 1
681 1 42 LEU MD2 1 47 PHE HB2 5.490 . 5.490 4.495 4.170 4.874 . 0 0 "[ . 1 . 2]" 1
682 1 42 LEU HG 1 46 GLU HB2 5.470 . 5.470 4.889 4.462 5.306 . 0 0 "[ . 1 . 2]" 1
683 1 42 LEU HG 1 46 GLU HB3 5.200 . 5.200 4.636 4.107 5.259 0.059 15 0 "[ . 1 . 2]" 1
684 1 42 LEU HG 1 47 PHE HA 4.170 . 4.170 3.248 2.829 3.621 . 0 0 "[ . 1 . 2]" 1
685 1 42 LEU HG 1 47 PHE HB2 4.330 . 4.330 3.202 2.672 3.704 . 0 0 "[ . 1 . 2]" 1
686 1 42 LEU HG 1 47 PHE QD 4.740 . 4.740 3.705 3.165 4.252 . 0 0 "[ . 1 . 2]" 1
687 1 42 LEU HG 1 50 LYS QB 5.170 . 5.170 4.991 4.646 5.218 0.048 6 0 "[ . 1 . 2]" 1
688 1 42 LEU HG 1 50 LYS QE 4.550 . 4.550 4.308 3.739 4.638 0.088 9 0 "[ . 1 . 2]" 1
689 1 43 THR H 1 43 THR MG 4.430 . 4.430 3.693 2.714 3.797 . 0 0 "[ . 1 . 2]" 1
690 1 43 THR H 1 44 ILE H 5.120 . 5.120 4.582 4.472 4.679 . 0 0 "[ . 1 . 2]" 1
691 1 43 THR H 1 46 GLU H 5.230 . 5.230 4.115 3.598 4.515 . 0 0 "[ . 1 . 2]" 1
692 1 43 THR H 1 46 GLU HB2 3.680 . 3.680 2.440 2.081 2.892 . 0 0 "[ . 1 . 2]" 1
693 1 43 THR H 1 46 GLU HB3 4.550 . 4.550 3.660 3.096 4.482 . 0 0 "[ . 1 . 2]" 1
694 1 43 THR H 1 47 PHE H 5.420 . 5.420 3.814 3.343 4.142 . 0 0 "[ . 1 . 2]" 1
695 1 43 THR HA 1 43 THR MG 3.070 . 3.070 2.323 2.230 2.406 . 0 0 "[ . 1 . 2]" 1
696 1 43 THR HA 1 44 ILE H 3.390 . 3.390 2.413 2.259 2.530 . 0 0 "[ . 1 . 2]" 1
697 1 43 THR HB 1 44 ILE H 3.800 . 3.800 3.554 2.271 3.797 . 0 0 "[ . 1 . 2]" 1
698 1 43 THR HB 1 45 GLU H 4.100 . 4.100 3.817 2.728 4.141 0.041 15 0 "[ . 1 . 2]" 1
699 1 43 THR HB 1 46 GLU H 4.380 . 4.380 2.644 2.138 3.164 . 0 0 "[ . 1 . 2]" 1
700 1 43 THR MG 1 44 ILE H 5.360 . 5.360 2.172 1.813 3.383 . 0 0 "[ . 1 . 2]" 1
701 1 43 THR MG 1 44 ILE MD 4.670 . 4.670 4.069 2.722 4.799 0.129 11 0 "[ . 1 . 2]" 1
702 1 43 THR MG 1 45 GLU H 4.490 . 4.490 2.749 2.302 4.258 . 0 0 "[ . 1 . 2]" 1
703 1 43 THR MG 1 46 GLU H 3.630 . 3.630 3.369 3.066 3.808 0.178 11 0 "[ . 1 . 2]" 1
704 1 44 ILE H 1 44 ILE HB 3.470 . 3.470 2.559 2.376 2.741 . 0 0 "[ . 1 . 2]" 1
705 1 44 ILE H 1 44 ILE MD 3.560 . 3.560 3.261 1.859 3.538 . 0 0 "[ . 1 . 2]" 1
706 1 44 ILE H 1 45 GLU H 3.760 . 3.760 2.873 2.735 2.991 . 0 0 "[ . 1 . 2]" 1
707 1 44 ILE HA 1 44 ILE MD 3.920 . 3.920 3.608 2.284 3.910 . 0 0 "[ . 1 . 2]" 1
708 1 44 ILE HA 1 44 ILE HG12 4.210 . 4.210 2.733 2.450 3.637 . 0 0 "[ . 1 . 2]" 1
709 1 44 ILE HA 1 44 ILE QG 3.460 . 3.460 2.536 2.337 3.173 . 0 0 "[ . 1 . 2]" 1
710 1 44 ILE HA 1 44 ILE HG13 4.210 . 4.210 3.110 2.459 3.875 . 0 0 "[ . 1 . 2]" 1
711 1 44 ILE HA 1 44 ILE MG 3.690 . 3.690 2.404 2.290 2.499 . 0 0 "[ . 1 . 2]" 1
712 1 44 ILE HA 1 47 PHE HB3 4.430 . 4.430 2.771 2.480 3.017 . 0 0 "[ . 1 . 2]" 1
713 1 44 ILE HA 1 48 HIS H 4.520 . 4.520 4.055 3.755 4.420 . 0 0 "[ . 1 . 2]" 1
714 1 44 ILE HA 1 64 ILE MD 5.340 . 5.340 4.917 3.902 5.443 0.103 9 0 "[ . 1 . 2]" 1
715 1 44 ILE HA 1 67 LEU MD2 5.330 . 5.330 4.351 3.836 4.678 . 0 0 "[ . 1 . 2]" 1
716 1 44 ILE HB 1 45 GLU H 3.910 . 3.910 2.190 1.983 2.361 . 0 0 "[ . 1 . 2]" 1
717 1 44 ILE HB 1 45 GLU HA 5.500 . 5.500 4.205 3.946 4.412 . 0 0 "[ . 1 . 2]" 1
718 1 44 ILE HB 1 64 ILE MD 5.500 . 5.500 4.487 4.191 4.933 . 0 0 "[ . 1 . 2]" 1
719 1 44 ILE HB 1 67 LEU MD1 4.330 . 4.330 4.070 3.876 4.364 0.034 1 0 "[ . 1 . 2]" 1
720 1 44 ILE MD 1 44 ILE MG 3.300 . 3.300 2.061 1.915 3.163 . 0 0 "[ . 1 . 2]" 1
721 1 44 ILE MD 1 67 LEU HB2 4.860 . 4.860 4.231 3.401 4.886 0.026 10 0 "[ . 1 . 2]" 1
722 1 44 ILE MD 1 67 LEU MD1 3.330 . 3.330 2.137 1.704 2.783 0.096 11 0 "[ . 1 . 2]" 1
723 1 44 ILE MD 1 68 LYS HA 4.690 . 4.690 4.707 4.614 4.809 0.119 10 0 "[ . 1 . 2]" 1
724 1 44 ILE MD 1 68 LYS HD2 4.220 . 4.220 3.758 3.469 4.109 . 0 0 "[ . 1 . 2]" 1
725 1 44 ILE MD 1 68 LYS HD3 3.760 . 3.760 3.556 3.260 3.795 0.035 7 0 "[ . 1 . 2]" 1
726 1 44 ILE MD 1 68 LYS HE2 3.850 . 3.850 3.179 2.959 3.316 . 0 0 "[ . 1 . 2]" 1
727 1 44 ILE MD 1 68 LYS HE3 3.470 . 3.470 1.864 1.755 2.162 0.045 20 0 "[ . 1 . 2]" 1
728 1 44 ILE MD 1 68 LYS QG 4.540 . 4.540 4.513 4.363 4.645 0.105 19 0 "[ . 1 . 2]" 1
729 1 44 ILE MD 1 71 LEU QD 4.670 . 4.670 3.336 2.963 3.676 . 0 0 "[ . 1 . 2]" 1
730 1 44 ILE MD 1 71 LEU HG 5.030 . 5.030 5.014 4.738 5.148 0.118 18 0 "[ . 1 . 2]" 1
731 1 44 ILE QG 1 67 LEU MD1 3.860 . 3.860 2.392 1.746 3.394 0.054 10 0 "[ . 1 . 2]" 1
732 1 44 ILE QG 1 67 LEU HG 5.340 . 5.340 4.918 3.812 5.408 0.068 19 0 "[ . 1 . 2]" 1
733 1 44 ILE QG 1 68 LYS HE3 4.850 . 4.850 3.475 1.768 3.976 0.032 10 0 "[ . 1 . 2]" 1
734 1 44 ILE HG12 1 67 LEU MD1 4.620 . 4.620 2.554 2.059 4.199 . 0 0 "[ . 1 . 2]" 1
735 1 44 ILE HG13 1 67 LEU MD1 4.620 . 4.620 3.533 1.832 3.830 . 0 0 "[ . 1 . 2]" 1
736 1 44 ILE MG 1 45 GLU H 4.300 . 4.300 3.140 2.924 3.337 . 0 0 "[ . 1 . 2]" 1
737 1 44 ILE MG 1 45 GLU QB 5.170 . 5.170 4.548 4.062 4.782 . 0 0 "[ . 1 . 2]" 1
738 1 44 ILE MG 1 47 PHE QD 4.470 . 4.470 3.645 3.219 4.234 . 0 0 "[ . 1 . 2]" 1
739 1 44 ILE MG 1 48 HIS QB 4.880 . 4.880 3.490 3.154 3.911 . 0 0 "[ . 1 . 2]" 1
740 1 44 ILE MG 1 64 ILE HA 4.010 . 4.010 3.542 3.056 3.966 . 0 0 "[ . 1 . 2]" 1
741 1 44 ILE MG 1 64 ILE MD 4.180 . 4.180 2.465 1.962 2.899 . 0 0 "[ . 1 . 2]" 1
742 1 44 ILE MG 1 64 ILE HG12 4.790 . 4.790 3.449 2.215 4.679 . 0 0 "[ . 1 . 2]" 1
743 1 44 ILE MG 1 64 ILE QG 4.130 . 4.130 3.154 2.194 4.167 0.037 4 0 "[ . 1 . 2]" 1
744 1 44 ILE MG 1 64 ILE HG13 4.790 . 4.790 4.110 3.569 4.825 0.035 4 0 "[ . 1 . 2]" 1
745 1 44 ILE MG 1 64 ILE MG 3.720 . 3.720 2.750 1.863 3.752 0.032 4 0 "[ . 1 . 2]" 1
746 1 44 ILE MG 1 67 LEU HB2 5.460 . 5.460 4.863 4.557 5.342 . 0 0 "[ . 1 . 2]" 1
747 1 44 ILE MG 1 67 LEU HB3 5.500 . 5.500 5.234 4.972 5.574 0.074 10 0 "[ . 1 . 2]" 1
748 1 44 ILE MG 1 67 LEU MD1 4.270 . 4.270 1.943 1.753 2.365 0.047 11 0 "[ . 1 . 2]" 1
749 1 44 ILE MG 1 67 LEU MD2 4.190 . 4.190 2.938 2.644 3.433 . 0 0 "[ . 1 . 2]" 1
750 1 44 ILE MG 1 68 LYS HE3 4.070 . 4.070 2.962 2.546 3.393 . 0 0 "[ . 1 . 2]" 1
751 1 45 GLU H 1 45 GLU HB2 3.930 . 3.930 2.554 2.215 2.787 . 0 0 "[ . 1 . 2]" 1
752 1 45 GLU H 1 45 GLU QB 3.340 . 3.340 2.496 2.124 2.706 . 0 0 "[ . 1 . 2]" 1
753 1 45 GLU H 1 45 GLU HB3 3.930 . 3.930 3.524 2.729 3.660 . 0 0 "[ . 1 . 2]" 1
754 1 45 GLU H 1 45 GLU QG 4.340 . 4.340 2.184 1.774 3.926 0.026 4 0 "[ . 1 . 2]" 1
755 1 45 GLU H 1 46 GLU H 3.690 . 3.690 2.723 2.603 2.878 . 0 0 "[ . 1 . 2]" 1
756 1 45 GLU HA 1 45 GLU HG2 4.210 . 4.210 2.913 2.497 3.729 . 0 0 "[ . 1 . 2]" 1
757 1 45 GLU HA 1 45 GLU QG 3.580 . 3.580 2.508 2.356 2.958 . 0 0 "[ . 1 . 2]" 1
758 1 45 GLU HA 1 45 GLU HG3 4.210 . 4.210 2.950 2.421 3.874 . 0 0 "[ . 1 . 2]" 1
759 1 45 GLU HA 1 48 HIS H 4.460 . 4.460 3.708 3.395 3.919 . 0 0 "[ . 1 . 2]" 1
760 1 45 GLU HA 1 48 HIS HB2 4.420 . 4.420 3.702 2.790 4.451 0.031 2 0 "[ . 1 . 2]" 1
761 1 45 GLU HA 1 48 HIS QB 3.850 . 3.850 3.056 2.763 3.625 . 0 0 "[ . 1 . 2]" 1
762 1 45 GLU HA 1 48 HIS HB3 4.420 . 4.420 3.638 2.848 4.482 0.062 4 0 "[ . 1 . 2]" 1
763 1 45 GLU HA 1 64 ILE MD 4.730 . 4.730 3.851 2.947 4.446 . 0 0 "[ . 1 . 2]" 1
764 1 45 GLU QB 1 46 GLU H 4.110 . 4.110 2.656 2.405 3.007 . 0 0 "[ . 1 . 2]" 1
765 1 45 GLU QB 1 46 GLU QG 4.010 . 4.010 3.584 3.097 4.050 0.040 15 0 "[ . 1 . 2]" 1
766 1 45 GLU QG 1 64 ILE MD 4.480 . 4.480 4.150 3.300 4.609 0.129 4 0 "[ . 1 . 2]" 1
767 1 46 GLU H 1 46 GLU HB2 3.760 . 3.760 2.477 2.226 2.877 . 0 0 "[ . 1 . 2]" 1
768 1 46 GLU H 1 46 GLU HB3 3.830 . 3.830 3.667 3.527 3.800 . 0 0 "[ . 1 . 2]" 1
769 1 46 GLU H 1 46 GLU QG 4.120 . 4.120 2.800 2.408 3.261 . 0 0 "[ . 1 . 2]" 1
770 1 46 GLU H 1 47 PHE H 3.610 . 3.610 2.670 2.588 2.809 . 0 0 "[ . 1 . 2]" 1
771 1 46 GLU H 1 48 HIS H 5.500 . 5.500 4.073 3.939 4.243 . 0 0 "[ . 1 . 2]" 1
772 1 46 GLU HA 1 46 GLU HG2 4.040 . 4.040 2.720 2.217 3.800 . 0 0 "[ . 1 . 2]" 1
773 1 46 GLU HA 1 46 GLU QG 3.350 . 3.350 2.539 2.185 2.833 . 0 0 "[ . 1 . 2]" 1
774 1 46 GLU HA 1 46 GLU HG3 4.040 . 4.040 3.434 2.569 3.838 . 0 0 "[ . 1 . 2]" 1
775 1 46 GLU HA 1 49 SER QB 3.940 . 3.940 3.402 2.781 4.030 0.090 10 0 "[ . 1 . 2]" 1
776 1 46 GLU HA 1 50 LYS H 4.700 . 4.700 3.915 3.564 4.298 . 0 0 "[ . 1 . 2]" 1
777 1 46 GLU HA 1 50 LYS QE 4.950 . 4.950 4.120 2.921 4.985 0.035 5 0 "[ . 1 . 2]" 1
778 1 46 GLU HB2 1 47 PHE H 4.860 . 4.860 2.488 2.197 3.043 . 0 0 "[ . 1 . 2]" 1
779 1 46 GLU HB2 1 50 LYS QD 5.500 . 5.500 4.895 3.776 5.629 0.129 15 0 "[ . 1 . 2]" 1
780 1 46 GLU HB2 1 50 LYS QE 5.280 . 5.280 4.320 3.302 5.374 0.094 20 0 "[ . 1 . 2]" 1
781 1 46 GLU HB3 1 47 PHE H 5.500 . 5.500 3.234 2.881 3.765 . 0 0 "[ . 1 . 2]" 1
782 1 46 GLU HB3 1 50 LYS QE 3.950 . 3.950 2.814 1.860 3.841 . 0 0 "[ . 1 . 2]" 1
783 1 46 GLU HB3 1 50 LYS QG 5.090 . 5.090 3.901 3.221 4.503 . 0 0 "[ . 1 . 2]" 1
784 1 47 PHE H 1 47 PHE HB2 4.060 . 4.060 2.742 2.635 2.796 . 0 0 "[ . 1 . 2]" 1
785 1 47 PHE H 1 48 HIS H 3.800 . 3.800 2.942 2.854 3.019 . 0 0 "[ . 1 . 2]" 1
786 1 47 PHE HA 1 47 PHE QD 3.990 . 3.990 2.822 2.688 3.042 . 0 0 "[ . 1 . 2]" 1
787 1 47 PHE HA 1 50 LYS QG 5.160 . 5.160 4.579 3.727 5.129 . 0 0 "[ . 1 . 2]" 1
788 1 47 PHE HB2 1 48 HIS H 4.840 . 4.840 4.022 3.891 4.080 . 0 0 "[ . 1 . 2]" 1
789 1 47 PHE HB3 1 67 LEU MD1 5.310 . 5.310 5.198 4.649 5.383 0.073 6 0 "[ . 1 . 2]" 1
790 1 47 PHE QD 1 48 HIS HA 4.020 . 4.020 3.584 3.356 3.787 . 0 0 "[ . 1 . 2]" 1
791 1 47 PHE QD 1 63 VAL QG 4.180 . 4.180 3.805 3.527 4.095 . 0 0 "[ . 1 . 2]" 1
792 1 47 PHE QD 1 67 LEU MD1 5.000 . 5.000 4.337 3.758 4.759 . 0 0 "[ . 1 . 2]" 1
793 1 47 PHE QE 1 51 LEU QB 4.560 . 4.560 3.741 3.498 3.981 . 0 0 "[ . 1 . 2]" 1
794 1 47 PHE QE 1 51 LEU MD1 5.020 . 5.020 2.535 2.102 2.959 . 0 0 "[ . 1 . 2]" 1
795 1 47 PHE QE 1 51 LEU QD 3.720 . 3.720 2.470 2.064 2.786 . 0 0 "[ . 1 . 2]" 1
796 1 47 PHE QE 1 51 LEU MD2 5.020 . 5.020 3.898 2.728 5.004 . 0 0 "[ . 1 . 2]" 1
797 1 47 PHE QE 1 63 VAL QG 3.960 . 3.960 2.209 1.987 2.566 . 0 0 "[ . 1 . 2]" 1
798 1 47 PHE QE 1 67 LEU MD2 4.180 . 4.180 3.127 2.821 3.625 . 0 0 "[ . 1 . 2]" 1
799 1 47 PHE HZ 1 51 LEU QB 4.670 . 4.670 4.540 4.256 4.711 0.041 5 0 "[ . 1 . 2]" 1
800 1 47 PHE HZ 1 51 LEU QD 5.240 . 5.240 2.783 2.502 3.029 . 0 0 "[ . 1 . 2]" 1
801 1 47 PHE HZ 1 63 VAL MG1 4.780 . 4.780 3.299 2.832 4.854 0.074 4 0 "[ . 1 . 2]" 1
802 1 47 PHE HZ 1 63 VAL QG 3.600 . 3.600 3.161 2.806 3.412 . 0 0 "[ . 1 . 2]" 1
803 1 47 PHE HZ 1 63 VAL MG2 4.780 . 4.780 4.582 3.218 4.828 0.048 5 0 "[ . 1 . 2]" 1
804 1 47 PHE HZ 1 67 LEU MD2 5.200 . 5.200 4.697 3.998 5.230 0.030 9 0 "[ . 1 . 2]" 1
805 1 48 HIS H 1 48 HIS HB2 3.600 . 3.600 2.376 2.146 2.627 . 0 0 "[ . 1 . 2]" 1
806 1 48 HIS H 1 48 HIS HB3 3.600 . 3.600 2.909 2.454 3.620 0.020 15 0 "[ . 1 . 2]" 1
807 1 48 HIS H 1 49 SER H 3.580 . 3.580 2.652 2.506 2.737 . 0 0 "[ . 1 . 2]" 1
808 1 48 HIS HA 1 48 HIS HD2 4.540 . 4.540 2.919 2.604 3.413 . 0 0 "[ . 1 . 2]" 1
809 1 48 HIS HA 1 51 LEU QB 4.390 . 4.390 2.964 2.698 3.386 . 0 0 "[ . 1 . 2]" 1
810 1 48 HIS HA 1 51 LEU QD 4.570 . 4.570 3.510 3.176 3.798 . 0 0 "[ . 1 . 2]" 1
811 1 48 HIS HA 1 52 GLN H 5.400 . 5.400 4.132 3.841 4.521 . 0 0 "[ . 1 . 2]" 1
812 1 48 HIS HA 1 63 VAL QG 4.510 . 4.510 4.316 3.940 4.616 0.106 15 0 "[ . 1 . 2]" 1
813 1 48 HIS QB 1 49 SER H 3.490 . 3.490 2.480 2.227 2.591 . 0 0 "[ . 1 . 2]" 1
814 1 48 HIS QB 1 63 VAL QG 5.280 . 5.280 4.233 3.735 4.797 . 0 0 "[ . 1 . 2]" 1
815 1 48 HIS QB 1 64 ILE QG 4.410 . 4.410 3.425 2.714 4.255 . 0 0 "[ . 1 . 2]" 1
816 1 48 HIS HB2 1 49 SER H 4.090 . 4.090 3.386 2.573 3.857 . 0 0 "[ . 1 . 2]" 1
817 1 48 HIS HB2 1 64 ILE MD 4.730 . 4.730 2.813 1.847 3.696 . 0 0 "[ . 1 . 2]" 1
818 1 48 HIS HB3 1 49 SER H 4.090 . 4.090 2.745 2.252 3.441 . 0 0 "[ . 1 . 2]" 1
819 1 48 HIS HB3 1 64 ILE MD 4.730 . 4.730 3.146 2.619 4.082 . 0 0 "[ . 1 . 2]" 1
820 1 48 HIS HD2 1 63 VAL HB 4.320 . 4.320 3.083 2.470 4.391 0.071 4 0 "[ . 1 . 2]" 1
821 1 48 HIS HD2 1 63 VAL MG1 4.050 . 4.050 2.955 2.027 3.735 . 0 0 "[ . 1 . 2]" 1
822 1 48 HIS HD2 1 63 VAL QG 3.310 . 3.310 2.819 2.003 3.333 0.023 9 0 "[ . 1 . 2]" 1
823 1 48 HIS HD2 1 63 VAL MG2 4.050 . 4.050 3.704 3.140 4.080 0.030 13 0 "[ . 1 . 2]" 1
824 1 48 HIS HD2 1 64 ILE MD 4.780 . 4.780 3.893 3.068 4.678 . 0 0 "[ . 1 . 2]" 1
825 1 48 HIS HD2 1 64 ILE QG 4.140 . 4.140 3.468 2.979 4.066 . 0 0 "[ . 1 . 2]" 1
826 1 49 SER H 1 49 SER QB 3.190 . 3.190 2.506 2.263 2.699 . 0 0 "[ . 1 . 2]" 1
827 1 49 SER H 1 50 LYS H 3.770 . 3.770 2.739 2.601 2.822 . 0 0 "[ . 1 . 2]" 1
828 1 49 SER HA 1 52 GLN HB2 4.790 . 4.790 3.452 3.078 4.510 . 0 0 "[ . 1 . 2]" 1
829 1 49 SER HA 1 52 GLN QB 4.210 . 4.210 3.092 2.778 3.314 . 0 0 "[ . 1 . 2]" 1
830 1 49 SER HA 1 52 GLN HB3 4.790 . 4.790 4.183 2.839 4.859 0.069 9 0 "[ . 1 . 2]" 1
831 1 49 SER HA 1 52 GLN QG 4.620 . 4.620 4.353 3.084 4.718 0.098 17 0 "[ . 1 . 2]" 1
832 1 49 SER QB 1 50 LYS H 3.830 . 3.830 2.892 2.586 3.460 . 0 0 "[ . 1 . 2]" 1
833 1 50 LYS H 1 50 LYS QB 3.790 . 3.790 2.499 2.289 2.735 . 0 0 "[ . 1 . 2]" 1
834 1 50 LYS H 1 51 LEU H 3.660 . 3.660 2.713 2.546 2.839 . 0 0 "[ . 1 . 2]" 1
835 1 50 LYS HA 1 54 ALA MB 4.750 . 4.750 4.753 4.613 4.800 0.050 4 0 "[ . 1 . 2]" 1
836 1 50 LYS QB 1 51 LEU H 4.110 . 4.110 2.351 2.148 2.598 . 0 0 "[ . 1 . 2]" 1
837 1 50 LYS QB 1 54 ALA MB 4.330 . 4.330 4.326 4.243 4.475 0.145 20 0 "[ . 1 . 2]" 1
838 1 51 LEU H 1 51 LEU QB 3.550 . 3.550 2.207 2.119 2.325 . 0 0 "[ . 1 . 2]" 1
839 1 51 LEU H 1 51 LEU MD1 5.500 . 5.500 3.914 3.435 4.167 . 0 0 "[ . 1 . 2]" 1
840 1 51 LEU H 1 51 LEU MD2 5.500 . 5.500 4.314 4.235 4.455 . 0 0 "[ . 1 . 2]" 1
841 1 51 LEU H 1 51 LEU HG 4.590 . 4.590 4.428 4.273 4.533 . 0 0 "[ . 1 . 2]" 1
842 1 51 LEU H 1 52 GLN H 3.780 . 3.780 3.037 2.961 3.135 . 0 0 "[ . 1 . 2]" 1
843 1 51 LEU H 1 54 ALA MB 4.950 . 4.950 4.743 4.672 4.817 . 0 0 "[ . 1 . 2]" 1
844 1 51 LEU HA 1 51 LEU MD1 3.810 . 3.810 2.927 1.843 3.642 . 0 0 "[ . 1 . 2]" 1
845 1 51 LEU HA 1 51 LEU QD 3.310 . 3.310 2.660 1.838 3.122 . 0 0 "[ . 1 . 2]" 1
846 1 51 LEU HA 1 51 LEU MD2 3.810 . 3.810 3.565 3.221 3.833 0.023 6 0 "[ . 1 . 2]" 1
847 1 51 LEU HA 1 51 LEU HG 4.210 . 4.210 2.543 2.306 2.732 . 0 0 "[ . 1 . 2]" 1
848 1 51 LEU HA 1 54 ALA H 4.440 . 4.440 3.714 3.578 3.855 . 0 0 "[ . 1 . 2]" 1
849 1 51 LEU HA 1 54 ALA MB 3.860 . 3.860 2.914 2.819 3.004 . 0 0 "[ . 1 . 2]" 1
850 1 51 LEU QB 1 52 GLN H 5.180 . 5.180 2.494 2.266 2.724 . 0 0 "[ . 1 . 2]" 1
851 1 51 LEU QD 1 52 GLN H 5.440 . 5.440 3.406 3.037 3.923 . 0 0 "[ . 1 . 2]" 1
852 1 51 LEU QD 1 52 GLN HA 4.610 . 4.610 3.344 2.598 4.336 . 0 0 "[ . 1 . 2]" 1
853 1 51 LEU QD 1 52 GLN QE 5.270 . 5.270 3.172 1.792 4.257 0.008 18 0 "[ . 1 . 2]" 1
854 1 51 LEU QD 1 52 GLN QG 4.840 . 4.840 3.694 2.431 4.620 . 0 0 "[ . 1 . 2]" 1
855 1 51 LEU QD 1 54 ALA MB 4.200 . 4.200 3.903 3.562 4.225 0.025 2 0 "[ . 1 . 2]" 1
856 1 51 LEU MD1 1 54 ALA MB 5.020 . 5.020 4.508 3.635 5.099 0.079 3 0 "[ . 1 . 2]" 1
857 1 51 LEU MD2 1 54 ALA MB 5.020 . 5.020 4.635 4.082 5.132 0.112 18 0 "[ . 1 . 2]" 1
858 1 51 LEU HG 1 54 ALA MB 3.950 . 3.950 4.016 3.989 4.053 0.103 18 0 "[ . 1 . 2]" 1
859 1 52 GLN H 1 52 GLN HG2 4.690 . 4.690 3.738 2.176 4.486 . 0 0 "[ . 1 . 2]" 1
860 1 52 GLN H 1 52 GLN QG 4.110 . 4.110 3.198 2.162 3.980 . 0 0 "[ . 1 . 2]" 1
861 1 52 GLN H 1 52 GLN HG3 4.690 . 4.690 3.794 2.334 4.478 . 0 0 "[ . 1 . 2]" 1
862 1 52 GLN H 1 54 ALA MB 4.820 . 4.820 4.698 4.616 4.838 0.018 1 0 "[ . 1 . 2]" 1
863 1 52 GLN HA 1 55 THR H 4.440 . 4.440 3.096 2.850 3.414 . 0 0 "[ . 1 . 2]" 1
864 1 52 GLN HA 1 56 ASN H 5.090 . 5.090 4.076 3.438 4.598 . 0 0 "[ . 1 . 2]" 1
865 1 52 GLN HA 1 59 LEU QD 5.280 . 5.280 4.067 3.440 4.620 . 0 0 "[ . 1 . 2]" 1
866 1 52 GLN QB 1 59 LEU QB 4.680 . 4.680 4.365 3.979 4.834 0.154 4 0 "[ . 1 . 2]" 1
867 1 52 GLN QB 1 59 LEU QD 4.210 . 4.210 4.108 3.291 4.454 0.244 11 0 "[ . 1 . 2]" 1
868 1 52 GLN QE 1 63 VAL HB 5.250 . 5.250 5.100 4.456 5.350 0.100 5 0 "[ . 1 . 2]" 1
869 1 52 GLN QE 1 63 VAL QG 5.050 . 5.050 4.124 3.565 4.738 . 0 0 "[ . 1 . 2]" 1
870 1 52 GLN QG 1 53 GLU H 4.900 . 4.900 4.160 3.528 4.678 . 0 0 "[ . 1 . 2]" 1
871 1 52 GLN QG 1 59 LEU QD 4.010 . 4.010 3.189 2.182 4.086 0.076 4 0 "[ . 1 . 2]" 1
872 1 53 GLU H 1 53 GLU QB 3.110 . 3.110 2.337 2.160 2.696 . 0 0 "[ . 1 . 2]" 1
873 1 53 GLU HA 1 53 GLU HG2 3.930 . 3.930 3.192 2.521 3.910 . 0 0 "[ . 1 . 2]" 1
874 1 53 GLU HA 1 53 GLU QG 3.350 . 3.350 2.664 2.360 3.113 . 0 0 "[ . 1 . 2]" 1
875 1 53 GLU HA 1 53 GLU HG3 3.930 . 3.930 3.019 2.461 3.890 . 0 0 "[ . 1 . 2]" 1
876 1 53 GLU QB 1 55 THR H 5.090 . 5.090 4.860 4.588 5.108 0.018 13 0 "[ . 1 . 2]" 1
877 1 54 ALA H 1 54 ALA MB 3.130 . 3.130 2.171 2.112 2.268 . 0 0 "[ . 1 . 2]" 1
878 1 54 ALA HA 1 55 THR MG 5.200 . 5.200 4.722 4.525 4.880 . 0 0 "[ . 1 . 2]" 1
879 1 54 ALA MB 1 55 THR H 3.820 . 3.820 2.452 2.217 2.765 . 0 0 "[ . 1 . 2]" 1
880 1 54 ALA MB 1 55 THR HA 4.700 . 4.700 3.812 3.701 3.975 . 0 0 "[ . 1 . 2]" 1
881 1 54 ALA MB 1 55 THR MG 3.620 . 3.620 2.740 2.557 2.873 . 0 0 "[ . 1 . 2]" 1
882 1 55 THR H 1 55 THR MG 3.970 . 3.970 2.628 2.411 2.822 . 0 0 "[ . 1 . 2]" 1
883 1 55 THR H 1 56 ASN H 3.630 . 3.630 2.442 2.218 2.627 . 0 0 "[ . 1 . 2]" 1
884 1 55 THR HA 1 55 THR MG 3.530 . 3.530 2.253 2.191 2.297 . 0 0 "[ . 1 . 2]" 1
885 1 55 THR HB 1 56 ASN QD 5.340 . 5.340 4.887 4.229 5.366 0.026 1 0 "[ . 1 . 2]" 1
886 1 56 ASN H 1 57 PHE H 4.400 . 4.400 3.138 3.042 3.239 . 0 0 "[ . 1 . 2]" 1
887 1 57 PHE H 1 57 PHE HB2 3.940 . 3.940 2.496 2.285 2.660 . 0 0 "[ . 1 . 2]" 1
888 1 57 PHE H 1 57 PHE HB3 3.940 . 3.940 2.492 2.270 2.678 . 0 0 "[ . 1 . 2]" 1
889 1 57 PHE HA 1 58 PRO HD2 3.950 . 3.950 2.206 1.895 2.738 . 0 0 "[ . 1 . 2]" 1
890 1 57 PHE HA 1 58 PRO HD3 3.950 . 3.950 2.413 1.994 2.742 . 0 0 "[ . 1 . 2]" 1
891 1 57 PHE QB 1 59 LEU QD 5.180 . 5.180 3.328 2.860 3.833 . 0 0 "[ . 1 . 2]" 1
892 1 57 PHE QD 1 58 PRO QG 4.810 . 4.810 4.243 3.513 4.793 . 0 0 "[ . 1 . 2]" 1
893 1 57 PHE QD 1 59 LEU MD1 5.320 . 5.320 2.383 1.948 2.829 . 0 0 "[ . 1 . 2]" 1
894 1 57 PHE QD 1 59 LEU QD 4.500 . 4.500 2.372 1.944 2.809 . 0 0 "[ . 1 . 2]" 1
895 1 57 PHE QD 1 59 LEU MD2 5.320 . 5.320 4.382 3.322 4.989 . 0 0 "[ . 1 . 2]" 1
896 1 57 PHE QD 1 59 LEU HG 5.310 . 5.310 4.828 4.361 5.318 0.008 4 0 "[ . 1 . 2]" 1
897 1 57 PHE QE 1 59 LEU QD 4.950 . 4.950 3.100 2.227 3.741 . 0 0 "[ . 1 . 2]" 1
898 1 59 LEU HA 1 59 LEU MD1 4.030 . 4.030 2.132 2.034 2.246 . 0 0 "[ . 1 . 2]" 1
899 1 59 LEU HA 1 59 LEU QD 3.540 . 3.540 2.123 2.027 2.233 . 0 0 "[ . 1 . 2]" 1
900 1 59 LEU HA 1 59 LEU MD2 4.030 . 4.030 3.892 3.787 3.960 . 0 0 "[ . 1 . 2]" 1
901 1 59 LEU HA 1 60 ARG H 3.560 . 3.560 2.373 1.959 2.602 . 0 0 "[ . 1 . 2]" 1
902 1 59 LEU QB 1 60 ARG H 4.100 . 4.100 3.444 3.240 3.710 . 0 0 "[ . 1 . 2]" 1
903 1 59 LEU QD 1 60 ARG H 3.800 . 3.800 2.384 1.921 2.827 . 0 0 "[ . 1 . 2]" 1
904 1 59 LEU QD 1 60 ARG HA 4.590 . 4.590 4.517 4.348 4.639 0.049 11 0 "[ . 1 . 2]" 1
905 1 59 LEU MD1 1 60 ARG H 4.790 . 4.790 2.410 1.925 2.890 . 0 0 "[ . 1 . 2]" 1
906 1 59 LEU MD2 1 60 ARG H 4.790 . 4.790 3.943 3.671 4.244 . 0 0 "[ . 1 . 2]" 1
907 1 60 ARG H 1 60 ARG QG 4.660 . 4.660 2.873 2.114 3.978 . 0 0 "[ . 1 . 2]" 1
908 1 60 ARG QB 1 62 PHE QD 4.980 . 4.980 2.138 1.718 2.665 0.082 17 0 "[ . 1 . 2]" 1
909 1 60 ARG QG 1 61 PRO QD 4.180 . 4.180 3.544 2.456 4.168 . 0 0 "[ . 1 . 2]" 1
910 1 60 ARG QG 1 62 PHE QD 5.500 . 5.500 3.531 2.064 4.753 . 0 0 "[ . 1 . 2]" 1
911 1 61 PRO HA 1 65 PRO QD 5.060 . 5.060 4.664 4.418 5.037 . 0 0 "[ . 1 . 2]" 1
912 1 62 PHE H 1 63 VAL H 4.630 . 4.630 2.609 2.287 2.758 . 0 0 "[ . 1 . 2]" 1
913 1 62 PHE HA 1 62 PHE QD 4.350 . 4.350 3.746 3.715 3.780 . 0 0 "[ . 1 . 2]" 1
914 1 62 PHE HA 1 65 PRO QD 4.090 . 4.090 2.684 2.006 3.142 . 0 0 "[ . 1 . 2]" 1
915 1 62 PHE HA 1 65 PRO HG2 4.320 . 4.320 2.266 1.817 2.679 . 0 0 "[ . 1 . 2]" 1
916 1 62 PHE HA 1 65 PRO QG 3.770 . 3.770 2.229 1.804 2.651 . 0 0 "[ . 1 . 2]" 1
917 1 62 PHE HA 1 65 PRO HG3 4.320 . 4.320 3.399 2.849 4.325 0.005 20 0 "[ . 1 . 2]" 1
918 1 62 PHE QB 1 63 VAL H 4.450 . 4.450 3.857 3.546 3.971 . 0 0 "[ . 1 . 2]" 1
919 1 62 PHE QB 1 63 VAL QG 5.270 . 5.270 4.478 4.303 5.058 . 0 0 "[ . 1 . 2]" 1
920 1 62 PHE QD 1 63 VAL QG 4.660 . 4.660 3.610 3.191 4.641 . 0 0 "[ . 1 . 2]" 1
921 1 62 PHE QD 1 66 PHE HA 5.370 . 5.370 4.257 3.997 4.522 . 0 0 "[ . 1 . 2]" 1
922 1 62 PHE QD 1 66 PHE HB2 4.580 . 4.580 2.671 2.028 3.269 . 0 0 "[ . 1 . 2]" 1
923 1 62 PHE QD 1 66 PHE HB3 4.760 . 4.760 4.125 3.461 4.626 . 0 0 "[ . 1 . 2]" 1
924 1 62 PHE QE 1 63 VAL HA 5.370 . 5.370 4.325 3.886 4.780 . 0 0 "[ . 1 . 2]" 1
925 1 62 PHE QE 1 66 PHE HA 5.370 . 5.370 5.376 5.160 5.426 0.056 11 0 "[ . 1 . 2]" 1
926 1 62 PHE QE 1 66 PHE HB2 4.600 . 4.600 3.496 3.330 3.708 . 0 0 "[ . 1 . 2]" 1
927 1 62 PHE QE 1 66 PHE HB3 5.250 . 5.250 4.708 4.270 5.134 . 0 0 "[ . 1 . 2]" 1
928 1 63 VAL H 1 63 VAL MG1 4.500 . 4.500 3.677 2.386 4.029 . 0 0 "[ . 1 . 2]" 1
929 1 63 VAL H 1 63 VAL MG2 4.500 . 4.500 2.053 1.801 3.712 . 0 0 "[ . 1 . 2]" 1
930 1 63 VAL H 1 64 ILE H 4.060 . 4.060 2.868 2.643 3.022 . 0 0 "[ . 1 . 2]" 1
931 1 63 VAL HA 1 66 PHE HB2 4.560 . 4.560 3.016 2.591 3.626 . 0 0 "[ . 1 . 2]" 1
932 1 63 VAL HA 1 66 PHE HB3 4.440 . 4.440 2.351 2.194 2.615 . 0 0 "[ . 1 . 2]" 1
933 1 63 VAL HB 1 64 ILE H 3.790 . 3.790 2.758 1.989 3.911 0.121 4 0 "[ . 1 . 2]" 1
934 1 63 VAL QG 1 64 ILE H 4.810 . 4.810 3.171 2.266 3.409 . 0 0 "[ . 1 . 2]" 1
935 1 63 VAL QG 1 64 ILE HA 4.390 . 4.390 3.312 3.072 3.791 . 0 0 "[ . 1 . 2]" 1
936 1 63 VAL QG 1 64 ILE MD 5.440 . 5.440 4.018 2.757 4.983 . 0 0 "[ . 1 . 2]" 1
937 1 63 VAL QG 1 64 ILE QG 4.900 . 4.900 3.520 2.652 4.073 . 0 0 "[ . 1 . 2]" 1
938 1 63 VAL QG 1 66 PHE HB3 5.440 . 5.440 3.322 2.966 3.613 . 0 0 "[ . 1 . 2]" 1
939 1 63 VAL QG 1 66 PHE QE 4.400 . 4.400 4.285 3.803 4.497 0.097 2 0 "[ . 1 . 2]" 1
940 1 63 VAL QG 1 67 LEU H 4.330 . 4.330 3.917 3.649 4.169 . 0 0 "[ . 1 . 2]" 1
941 1 63 VAL QG 1 67 LEU MD1 4.460 . 4.460 4.277 3.778 4.458 . 0 0 "[ . 1 . 2]" 1
942 1 63 VAL QG 1 67 LEU MD2 3.640 . 3.640 2.338 2.094 2.571 . 0 0 "[ . 1 . 2]" 1
943 1 63 VAL QG 1 67 LEU HG 4.600 . 4.600 4.281 3.971 4.641 0.041 18 0 "[ . 1 . 2]" 1
944 1 63 VAL MG1 1 66 PHE QD 4.510 . 4.510 3.247 2.784 4.670 0.160 4 0 "[ . 1 . 2]" 1
945 1 63 VAL MG2 1 66 PHE QD 4.510 . 4.510 4.434 2.666 4.567 0.057 2 0 "[ . 1 . 2]" 1
946 1 64 ILE H 1 64 ILE HB 4.020 . 4.020 2.560 2.426 2.891 . 0 0 "[ . 1 . 2]" 1
947 1 64 ILE H 1 64 ILE MD 4.580 . 4.580 3.793 3.301 4.188 . 0 0 "[ . 1 . 2]" 1
948 1 64 ILE H 1 64 ILE QG 3.780 . 3.780 2.540 2.298 2.835 . 0 0 "[ . 1 . 2]" 1
949 1 64 ILE H 1 65 PRO HD2 4.100 . 4.100 2.264 2.002 2.856 . 0 0 "[ . 1 . 2]" 1
950 1 64 ILE H 1 65 PRO QD 3.540 . 3.540 2.203 1.989 2.726 . 0 0 "[ . 1 . 2]" 1
951 1 64 ILE H 1 65 PRO HD3 4.100 . 4.100 3.257 2.743 3.664 . 0 0 "[ . 1 . 2]" 1
952 1 64 ILE HA 1 64 ILE MD 3.920 . 3.920 2.955 1.882 3.810 . 0 0 "[ . 1 . 2]" 1
953 1 64 ILE HA 1 64 ILE QG 3.680 . 3.680 2.529 2.165 2.894 . 0 0 "[ . 1 . 2]" 1
954 1 64 ILE HA 1 64 ILE MG 3.550 . 3.550 2.551 2.478 2.691 . 0 0 "[ . 1 . 2]" 1
955 1 64 ILE HA 1 67 LEU MD1 4.370 . 4.370 3.307 2.703 3.802 . 0 0 "[ . 1 . 2]" 1
956 1 64 ILE HA 1 67 LEU MD2 3.250 . 3.250 2.433 1.977 2.751 . 0 0 "[ . 1 . 2]" 1
957 1 64 ILE HA 1 67 LEU HG 4.040 . 4.040 2.839 2.475 3.259 . 0 0 "[ . 1 . 2]" 1
958 1 64 ILE HA 1 68 LYS HD2 4.300 . 4.300 3.689 3.465 3.937 . 0 0 "[ . 1 . 2]" 1
959 1 64 ILE HB 1 64 ILE MD 3.680 . 3.680 2.864 2.491 3.267 . 0 0 "[ . 1 . 2]" 1
960 1 64 ILE HB 1 65 PRO QD 3.540 . 3.540 2.062 1.707 2.259 0.093 16 0 "[ . 1 . 2]" 1
961 1 64 ILE HB 1 67 LEU MD2 5.260 . 5.260 5.046 4.621 5.319 0.059 16 0 "[ . 1 . 2]" 1
962 1 64 ILE MD 1 64 ILE MG 3.170 . 3.170 1.973 1.878 2.103 . 0 0 "[ . 1 . 2]" 1
963 1 64 ILE MD 1 65 PRO QD 5.350 . 5.350 4.144 3.849 4.363 . 0 0 "[ . 1 . 2]" 1
964 1 64 ILE MG 1 65 PRO HA 4.500 . 4.500 3.376 3.159 3.496 . 0 0 "[ . 1 . 2]" 1
965 1 64 ILE MG 1 65 PRO QB 4.640 . 4.640 4.236 3.917 4.527 . 0 0 "[ . 1 . 2]" 1
966 1 64 ILE MG 1 65 PRO QD 3.650 . 3.650 2.731 2.460 2.956 . 0 0 "[ . 1 . 2]" 1
967 1 64 ILE MG 1 67 LEU MD1 4.450 . 4.450 3.464 3.079 4.160 . 0 0 "[ . 1 . 2]" 1
968 1 64 ILE MG 1 68 LYS H 4.620 . 4.620 4.180 3.936 4.367 . 0 0 "[ . 1 . 2]" 1
969 1 64 ILE MG 1 68 LYS HB2 4.240 . 4.240 3.482 3.151 3.946 . 0 0 "[ . 1 . 2]" 1
970 1 64 ILE MG 1 68 LYS HD2 3.600 . 3.600 2.430 2.042 2.771 . 0 0 "[ . 1 . 2]" 1
971 1 64 ILE MG 1 68 LYS HE3 4.350 . 4.350 3.734 3.138 4.374 0.024 4 0 "[ . 1 . 2]" 1
972 1 64 ILE MG 1 68 LYS QG 3.880 . 3.880 3.125 2.834 3.517 . 0 0 "[ . 1 . 2]" 1
973 1 65 PRO HA 1 67 LEU HG 4.830 . 4.830 4.877 4.813 4.918 0.088 18 0 "[ . 1 . 2]" 1
974 1 65 PRO HA 1 68 LYS H 4.290 . 4.290 3.219 3.114 3.435 . 0 0 "[ . 1 . 2]" 1
975 1 65 PRO HA 1 68 LYS HB2 4.200 . 4.200 1.850 1.770 2.081 0.030 9 0 "[ . 1 . 2]" 1
976 1 65 PRO HA 1 68 LYS HB3 4.130 . 4.130 2.850 2.549 3.120 . 0 0 "[ . 1 . 2]" 1
977 1 65 PRO HA 1 68 LYS HD2 3.880 . 3.880 3.707 3.289 3.898 0.018 10 0 "[ . 1 . 2]" 1
978 1 65 PRO QB 1 66 PHE H 4.030 . 4.030 3.201 2.849 3.499 . 0 0 "[ . 1 . 2]" 1
979 1 65 PRO QG 1 66 PHE H 4.330 . 4.330 3.214 2.729 4.046 . 0 0 "[ . 1 . 2]" 1
980 1 66 PHE H 1 66 PHE HB2 3.800 . 3.800 2.716 2.580 2.936 . 0 0 "[ . 1 . 2]" 1
981 1 66 PHE H 1 66 PHE HB3 3.790 . 3.790 2.355 2.212 2.448 . 0 0 "[ . 1 . 2]" 1
982 1 66 PHE H 1 67 LEU H 4.030 . 4.030 3.164 3.060 3.264 . 0 0 "[ . 1 . 2]" 1
983 1 66 PHE H 1 67 LEU HG 4.600 . 4.600 4.350 4.106 4.578 . 0 0 "[ . 1 . 2]" 1
984 1 66 PHE HA 1 66 PHE QD 3.870 . 3.870 2.723 2.623 2.854 . 0 0 "[ . 1 . 2]" 1
985 1 66 PHE HA 1 66 PHE QE 5.500 . 5.500 4.779 4.716 4.846 . 0 0 "[ . 1 . 2]" 1
986 1 66 PHE HA 1 67 LEU MD2 5.500 . 5.500 5.273 4.911 5.492 . 0 0 "[ . 1 . 2]" 1
987 1 66 PHE HA 1 69 ALA MB 4.110 . 4.110 3.225 2.928 3.525 . 0 0 "[ . 1 . 2]" 1
988 1 66 PHE HB2 1 67 LEU H 4.490 . 4.490 3.732 3.658 3.813 . 0 0 "[ . 1 . 2]" 1
989 1 66 PHE HB3 1 67 LEU H 4.490 . 4.490 2.277 2.143 2.469 . 0 0 "[ . 1 . 2]" 1
990 1 66 PHE HB3 1 67 LEU MD2 3.950 . 3.950 3.223 2.985 3.466 . 0 0 "[ . 1 . 2]" 1
991 1 66 PHE QD 1 67 LEU HA 4.390 . 4.390 3.871 3.621 4.099 . 0 0 "[ . 1 . 2]" 1
992 1 66 PHE QD 1 67 LEU MD1 5.260 . 5.260 5.051 4.718 5.253 . 0 0 "[ . 1 . 2]" 1
993 1 66 PHE QD 1 67 LEU MD2 3.910 . 3.910 2.628 2.033 2.861 . 0 0 "[ . 1 . 2]" 1
994 1 66 PHE QD 1 69 ALA MB 4.930 . 4.930 4.651 4.222 4.935 0.005 13 0 "[ . 1 . 2]" 1
995 1 66 PHE QE 1 67 LEU MD2 4.220 . 4.220 4.111 3.341 4.329 0.109 20 0 "[ . 1 . 2]" 1
996 1 67 LEU H 1 67 LEU HB2 4.180 . 4.180 3.599 3.557 3.654 . 0 0 "[ . 1 . 2]" 1
997 1 67 LEU H 1 67 LEU MD1 4.630 . 4.630 3.858 3.704 3.987 . 0 0 "[ . 1 . 2]" 1
998 1 67 LEU H 1 67 LEU MD2 4.200 . 4.200 2.169 1.779 2.409 0.021 11 0 "[ . 1 . 2]" 1
999 1 67 LEU H 1 67 LEU HG 4.240 . 4.240 2.412 2.158 2.725 . 0 0 "[ . 1 . 2]" 1
1000 1 67 LEU HA 1 67 LEU MD2 4.390 . 4.390 3.693 3.439 3.815 . 0 0 "[ . 1 . 2]" 1
1001 1 67 LEU HA 1 69 ALA H 4.700 . 4.700 4.320 4.013 4.520 . 0 0 "[ . 1 . 2]" 1
1002 1 67 LEU HA 1 69 ALA MB 5.280 . 5.280 5.042 4.774 5.254 . 0 0 "[ . 1 . 2]" 1
1003 1 67 LEU HA 1 70 ASN H 4.210 . 4.210 3.071 2.832 3.236 . 0 0 "[ . 1 . 2]" 1
1004 1 67 LEU HA 1 70 ASN QB 3.860 . 3.860 2.142 1.786 2.498 0.014 15 0 "[ . 1 . 2]" 1
1005 1 67 LEU HA 1 71 LEU H 4.440 . 4.440 4.247 3.901 4.454 0.014 17 0 "[ . 1 . 2]" 1
1006 1 67 LEU HA 1 71 LEU QD 5.440 . 5.440 4.607 4.242 5.042 . 0 0 "[ . 1 . 2]" 1
1007 1 67 LEU HB2 1 68 LYS H 4.230 . 4.230 3.844 3.470 3.983 . 0 0 "[ . 1 . 2]" 1
1008 1 67 LEU HB2 1 68 LYS HA 4.540 . 4.540 4.437 4.086 4.552 0.012 12 0 "[ . 1 . 2]" 1
1009 1 67 LEU HB2 1 68 LYS HE3 5.500 . 5.500 4.326 3.638 4.693 . 0 0 "[ . 1 . 2]" 1
1010 1 67 LEU HB2 1 71 LEU QD 5.080 . 5.080 3.877 3.299 4.372 . 0 0 "[ . 1 . 2]" 1
1011 1 67 LEU HB3 1 67 LEU MD2 3.180 . 3.180 2.097 2.055 2.158 . 0 0 "[ . 1 . 2]" 1
1012 1 67 LEU HB3 1 68 LYS HE2 5.160 . 5.160 5.143 4.682 5.234 0.074 10 0 "[ . 1 . 2]" 1
1013 1 67 LEU MD1 1 68 LYS HD2 3.320 . 3.320 3.021 2.702 3.310 . 0 0 "[ . 1 . 2]" 1
1014 1 67 LEU MD1 1 68 LYS HD3 4.600 . 4.600 3.789 3.545 3.939 . 0 0 "[ . 1 . 2]" 1
1015 1 67 LEU MD1 1 68 LYS HE2 4.630 . 4.630 2.359 2.090 2.784 . 0 0 "[ . 1 . 2]" 1
1016 1 67 LEU MD1 1 68 LYS HE3 3.670 . 3.670 2.110 1.844 2.359 . 0 0 "[ . 1 . 2]" 1
1017 1 67 LEU MD1 1 68 LYS QG 4.400 . 4.400 4.382 4.222 4.481 0.081 17 0 "[ . 1 . 2]" 1
1018 1 67 LEU MD2 1 68 LYS HE2 4.690 . 4.690 4.727 4.627 4.777 0.087 11 0 "[ . 1 . 2]" 1
1019 1 67 LEU MD2 1 68 LYS HE3 5.300 . 5.300 4.506 4.022 4.799 . 0 0 "[ . 1 . 2]" 1
1020 1 68 LYS H 1 68 LYS HB2 3.580 . 3.580 2.074 1.980 2.167 . 0 0 "[ . 1 . 2]" 1
1021 1 68 LYS H 1 68 LYS HD2 3.640 . 3.640 2.850 2.484 3.407 . 0 0 "[ . 1 . 2]" 1
1022 1 68 LYS H 1 68 LYS QG 4.040 . 4.040 3.773 3.658 3.953 . 0 0 "[ . 1 . 2]" 1
1023 1 68 LYS H 1 69 ALA H 3.640 . 3.640 2.747 2.622 2.845 . 0 0 "[ . 1 . 2]" 1
1024 1 68 LYS H 1 71 LEU QD 5.010 . 5.010 4.853 4.430 5.065 0.055 12 0 "[ . 1 . 2]" 1
1025 1 68 LYS HA 1 68 LYS HD2 3.680 . 3.680 3.234 3.122 3.410 . 0 0 "[ . 1 . 2]" 1
1026 1 68 LYS HA 1 68 LYS HD3 5.150 . 5.150 3.970 3.880 4.093 . 0 0 "[ . 1 . 2]" 1
1027 1 68 LYS HA 1 68 LYS HE2 3.990 . 3.990 1.832 1.761 2.073 0.039 10 0 "[ . 1 . 2]" 1
1028 1 68 LYS HA 1 68 LYS QG 3.630 . 3.630 2.501 2.445 2.591 . 0 0 "[ . 1 . 2]" 1
1029 1 68 LYS HA 1 71 LEU H 4.990 . 4.990 3.703 3.587 3.847 . 0 0 "[ . 1 . 2]" 1
1030 1 68 LYS HA 1 71 LEU MD1 5.500 . 5.500 2.943 2.465 3.323 . 0 0 "[ . 1 . 2]" 1
1031 1 68 LYS HA 1 71 LEU QD 3.980 . 3.980 2.910 2.454 3.254 . 0 0 "[ . 1 . 2]" 1
1032 1 68 LYS HA 1 71 LEU MD2 5.500 . 5.500 4.643 4.166 5.056 . 0 0 "[ . 1 . 2]" 1
1033 1 68 LYS HA 1 71 LEU HG 4.770 . 4.770 3.164 2.624 3.623 . 0 0 "[ . 1 . 2]" 1
1034 1 68 LYS HB2 1 68 LYS HD2 3.350 . 3.350 2.453 2.413 2.512 . 0 0 "[ . 1 . 2]" 1
1035 1 68 LYS HB2 1 68 LYS HE3 4.800 . 4.800 4.483 4.304 4.596 . 0 0 "[ . 1 . 2]" 1
1036 1 68 LYS HB2 1 69 ALA H 4.240 . 4.240 3.050 2.819 3.236 . 0 0 "[ . 1 . 2]" 1
1037 1 68 LYS HB3 1 68 LYS HD2 3.650 . 3.650 3.661 3.634 3.692 0.042 2 0 "[ . 1 . 2]" 1
1038 1 68 LYS HB3 1 68 LYS HE2 4.570 . 4.570 4.030 3.922 4.176 . 0 0 "[ . 1 . 2]" 1
1039 1 68 LYS HB3 1 68 LYS HE3 5.430 . 5.430 5.231 5.159 5.304 . 0 0 "[ . 1 . 2]" 1
1040 1 68 LYS HB3 1 69 ALA H 4.740 . 4.740 3.076 3.001 3.226 . 0 0 "[ . 1 . 2]" 1
1041 1 68 LYS HB3 1 69 ALA HA 4.290 . 4.290 4.126 3.998 4.231 . 0 0 "[ . 1 . 2]" 1
1042 1 68 LYS HB3 1 69 ALA MB 3.970 . 3.970 4.011 3.978 4.063 0.093 11 0 "[ . 1 . 2]" 1
1043 1 68 LYS HE2 1 71 LEU QD 4.050 . 4.050 2.935 2.550 3.326 . 0 0 "[ . 1 . 2]" 1
1044 1 68 LYS HE2 1 71 LEU HG 4.410 . 4.410 3.594 3.110 3.795 . 0 0 "[ . 1 . 2]" 1
1045 1 68 LYS HE3 1 71 LEU HG 5.500 . 5.500 4.961 4.595 5.338 . 0 0 "[ . 1 . 2]" 1
1046 1 68 LYS QG 1 71 LEU QD 4.340 . 4.340 3.709 3.197 4.183 . 0 0 "[ . 1 . 2]" 1
1047 1 69 ALA H 1 69 ALA MB 3.000 . 3.000 2.218 2.177 2.291 . 0 0 "[ . 1 . 2]" 1
1048 1 69 ALA H 1 70 ASN H 3.610 . 3.610 2.550 2.431 2.743 . 0 0 "[ . 1 . 2]" 1
1049 1 69 ALA HA 1 73 LEU HB2 4.900 . 4.900 4.584 4.110 5.013 0.113 10 0 "[ . 1 . 2]" 1
1050 1 69 ALA HA 1 73 LEU MD1 4.780 . 4.780 4.262 3.535 4.867 0.087 11 0 "[ . 1 . 2]" 1
1051 1 69 ALA HA 1 73 LEU MD2 4.780 . 4.780 4.863 4.755 4.985 0.205 7 0 "[ . 1 . 2]" 1
1052 1 69 ALA MB 1 70 ASN H 3.490 . 3.490 3.119 2.994 3.232 . 0 0 "[ . 1 . 2]" 1
1053 1 69 ALA MB 1 72 PRO HD2 4.370 . 4.370 4.054 3.750 4.247 . 0 0 "[ . 1 . 2]" 1
1054 1 69 ALA MB 1 72 PRO HD3 5.500 . 5.500 5.269 4.838 5.515 0.015 20 0 "[ . 1 . 2]" 1
1055 1 69 ALA MB 1 73 LEU HB2 4.640 . 4.640 4.212 3.768 4.614 . 0 0 "[ . 1 . 2]" 1
1056 1 69 ALA MB 1 73 LEU QD 4.770 . 4.770 2.971 2.627 3.330 . 0 0 "[ . 1 . 2]" 1
1057 1 70 ASN H 1 70 ASN HB2 4.180 . 4.180 2.512 2.184 2.954 . 0 0 "[ . 1 . 2]" 1
1058 1 70 ASN H 1 70 ASN QB 3.590 . 3.590 2.211 2.051 2.397 . 0 0 "[ . 1 . 2]" 1
1059 1 70 ASN H 1 70 ASN HB3 4.180 . 4.180 2.687 2.099 3.631 . 0 0 "[ . 1 . 2]" 1
1060 1 70 ASN H 1 71 LEU H 3.600 . 3.600 2.263 2.099 2.376 . 0 0 "[ . 1 . 2]" 1
1061 1 70 ASN H 1 71 LEU HA 5.390 . 5.390 4.853 4.772 4.926 . 0 0 "[ . 1 . 2]" 1
1062 1 70 ASN H 1 71 LEU QD 5.440 . 5.440 4.428 4.276 4.586 . 0 0 "[ . 1 . 2]" 1
1063 1 70 ASN H 1 73 LEU QD 5.440 . 5.440 4.300 3.988 4.663 . 0 0 "[ . 1 . 2]" 1
1064 1 70 ASN HA 1 70 ASN HD21 4.150 . 4.150 2.962 1.832 4.159 0.009 17 0 "[ . 1 . 2]" 1
1065 1 70 ASN HA 1 70 ASN QD 3.330 . 3.330 2.840 1.826 3.723 0.393 17 0 "[ . 1 . 2]" 1
1066 1 70 ASN HA 1 70 ASN HD22 4.150 . 4.150 3.960 3.482 4.199 0.049 17 0 "[ . 1 . 2]" 1
1067 1 70 ASN HA 1 73 LEU H 4.540 . 4.540 3.545 3.047 3.858 . 0 0 "[ . 1 . 2]" 1
1068 1 70 ASN HA 1 73 LEU HB2 3.920 . 3.920 2.553 1.840 3.272 . 0 0 "[ . 1 . 2]" 1
1069 1 70 ASN HA 1 73 LEU QD 3.980 . 3.980 2.537 2.098 2.960 . 0 0 "[ . 1 . 2]" 1
1070 1 70 ASN HA 1 74 LEU H 4.450 . 4.450 3.661 3.330 3.921 . 0 0 "[ . 1 . 2]" 1
1071 1 70 ASN HA 1 74 LEU QB 4.180 . 4.180 4.100 3.751 4.339 0.159 5 0 "[ . 1 . 2]" 1
1072 1 70 ASN QB 1 71 LEU HG 5.340 . 5.340 3.840 3.585 4.307 . 0 0 "[ . 1 . 2]" 1
1073 1 70 ASN QB 1 73 LEU QD 4.100 . 4.100 3.877 3.424 4.171 0.071 7 0 "[ . 1 . 2]" 1
1074 1 71 LEU H 1 71 LEU HB2 3.990 . 3.990 2.529 2.432 2.638 . 0 0 "[ . 1 . 2]" 1
1075 1 71 LEU H 1 71 LEU HB3 3.990 . 3.990 3.618 3.531 3.705 . 0 0 "[ . 1 . 2]" 1
1076 1 71 LEU H 1 71 LEU QD 4.200 . 4.200 3.082 2.846 3.194 . 0 0 "[ . 1 . 2]" 1
1077 1 71 LEU H 1 72 PRO HD2 4.310 . 4.310 2.550 2.248 2.960 . 0 0 "[ . 1 . 2]" 1
1078 1 71 LEU H 1 72 PRO HD3 4.070 . 4.070 3.447 3.026 3.650 . 0 0 "[ . 1 . 2]" 1
1079 1 71 LEU HA 1 71 LEU MD1 3.850 . 3.850 3.837 3.754 3.878 0.028 8 0 "[ . 1 . 2]" 1
1080 1 71 LEU HA 1 71 LEU QD 3.070 . 3.070 1.989 1.893 2.105 . 0 0 "[ . 1 . 2]" 1
1081 1 71 LEU HA 1 71 LEU MD2 3.850 . 3.850 1.995 1.898 2.115 . 0 0 "[ . 1 . 2]" 1
1082 1 71 LEU HA 1 71 LEU HG 4.100 . 4.100 3.154 3.020 3.284 . 0 0 "[ . 1 . 2]" 1
1083 1 71 LEU QB 1 72 PRO HD2 4.100 . 4.100 2.608 2.372 3.053 . 0 0 "[ . 1 . 2]" 1
1084 1 71 LEU QB 1 72 PRO HD3 4.490 . 4.490 1.924 1.717 2.056 0.083 14 0 "[ . 1 . 2]" 1
1085 1 71 LEU HB2 1 72 PRO HD2 4.850 . 4.850 2.645 2.397 3.115 . 0 0 "[ . 1 . 2]" 1
1086 1 71 LEU HB3 1 72 PRO HD2 4.850 . 4.850 3.977 3.795 4.390 . 0 0 "[ . 1 . 2]" 1
1087 1 71 LEU QD 1 72 PRO HA 5.100 . 5.100 5.132 5.051 5.203 0.103 1 0 "[ . 1 . 2]" 1
1088 1 71 LEU QD 1 72 PRO HD2 4.400 . 4.400 4.106 3.921 4.413 0.013 12 0 "[ . 1 . 2]" 1
1089 1 71 LEU QD 1 72 PRO HD3 4.280 . 4.280 3.537 3.389 3.648 . 0 0 "[ . 1 . 2]" 1
1090 1 71 LEU QD 1 75 GLN QE 3.640 . 3.640 2.673 1.849 3.678 0.038 15 0 "[ . 1 . 2]" 1
1091 1 71 LEU QD 1 75 GLN QG 3.920 . 3.920 3.232 2.647 3.946 0.026 16 0 "[ . 1 . 2]" 1
1092 1 71 LEU MD1 1 72 PRO HD2 5.040 . 5.040 4.426 4.194 4.859 . 0 0 "[ . 1 . 2]" 1
1093 1 71 LEU MD1 1 72 PRO HD3 5.030 . 5.030 3.660 3.496 3.788 . 0 0 "[ . 1 . 2]" 1
1094 1 71 LEU MD2 1 72 PRO HD2 5.040 . 5.040 4.870 4.711 5.101 0.061 14 0 "[ . 1 . 2]" 1
1095 1 71 LEU MD2 1 72 PRO HD3 5.030 . 5.030 4.684 4.441 4.805 . 0 0 "[ . 1 . 2]" 1
1096 1 71 LEU HG 1 72 PRO HD3 4.730 . 4.730 4.270 3.831 4.448 . 0 0 "[ . 1 . 2]" 1
1097 1 72 PRO HA 1 75 GLN H 4.580 . 4.580 3.697 3.234 4.133 . 0 0 "[ . 1 . 2]" 1
1098 1 72 PRO HA 1 75 GLN QB 4.020 . 4.020 2.790 2.209 3.496 . 0 0 "[ . 1 . 2]" 1
1099 1 72 PRO HD2 1 73 LEU H 4.490 . 4.490 2.934 2.672 3.236 . 0 0 "[ . 1 . 2]" 1
1100 1 72 PRO HD2 1 73 LEU QD 4.800 . 4.800 4.412 3.809 4.857 0.057 9 0 "[ . 1 . 2]" 1
1101 1 73 LEU H 1 73 LEU HB2 3.680 . 3.680 2.059 1.890 2.265 . 0 0 "[ . 1 . 2]" 1
1102 1 73 LEU H 1 73 LEU HB3 3.860 . 3.860 2.965 2.446 3.513 . 0 0 "[ . 1 . 2]" 1
1103 1 73 LEU H 1 73 LEU MD1 4.460 . 4.460 3.359 2.601 3.854 . 0 0 "[ . 1 . 2]" 1
1104 1 73 LEU H 1 73 LEU QD 3.790 . 3.790 3.136 2.560 3.503 . 0 0 "[ . 1 . 2]" 1
1105 1 73 LEU H 1 73 LEU MD2 4.460 . 4.460 3.899 3.513 4.073 . 0 0 "[ . 1 . 2]" 1
1106 1 73 LEU H 1 73 LEU HG 4.440 . 4.440 4.225 2.717 4.479 0.039 14 0 "[ . 1 . 2]" 1
1107 1 73 LEU HA 1 73 LEU MD1 4.170 . 4.170 2.269 1.919 3.888 . 0 0 "[ . 1 . 2]" 1
1108 1 73 LEU HA 1 73 LEU QD 3.290 . 3.290 2.072 1.913 2.362 . 0 0 "[ . 1 . 2]" 1
1109 1 73 LEU HA 1 73 LEU MD2 4.170 . 4.170 3.635 1.992 3.856 . 0 0 "[ . 1 . 2]" 1
1110 1 73 LEU HA 1 73 LEU HG 3.880 . 3.880 2.817 2.542 3.165 . 0 0 "[ . 1 . 2]" 1
1111 1 73 LEU HB2 1 73 LEU MD1 3.460 . 3.460 2.357 2.238 2.459 . 0 0 "[ . 1 . 2]" 1
1112 1 73 LEU HB2 1 73 LEU MD2 3.460 . 3.460 2.377 2.224 3.171 . 0 0 "[ . 1 . 2]" 1
1113 1 73 LEU HB2 1 74 LEU H 4.060 . 4.060 2.892 2.263 3.458 . 0 0 "[ . 1 . 2]" 1
1114 1 73 LEU HB3 1 73 LEU QD 3.130 . 3.130 2.237 2.130 2.334 . 0 0 "[ . 1 . 2]" 1
1115 1 74 LEU H 1 74 LEU QD 4.340 . 4.340 3.634 3.515 3.766 . 0 0 "[ . 1 . 2]" 1
1116 1 74 LEU H 1 75 GLN H 3.830 . 3.830 2.620 2.383 2.840 . 0 0 "[ . 1 . 2]" 1
1117 1 74 LEU HA 1 74 LEU QD 4.080 . 4.080 2.149 1.944 2.776 . 0 0 "[ . 1 . 2]" 1
1118 1 74 LEU HA 1 74 LEU HG 3.970 . 3.970 2.624 2.554 2.744 . 0 0 "[ . 1 . 2]" 1
1119 1 74 LEU HA 1 75 GLN QG 5.340 . 5.340 5.411 5.363 5.465 0.125 20 0 "[ . 1 . 2]" 1
1120 1 74 LEU QB 1 74 LEU QD 2.710 . 2.710 1.954 1.918 2.011 . 0 0 "[ . 1 . 2]" 1
1121 1 74 LEU QD 1 75 GLN HA 4.410 . 4.410 4.153 3.484 4.480 0.070 15 0 "[ . 1 . 2]" 1
1122 1 74 LEU QD 1 78 LEU QB 4.150 . 4.150 2.006 1.802 2.261 . 0 0 "[ . 1 . 2]" 1
1123 1 75 GLN H 1 75 GLN HG2 4.230 . 4.230 3.389 2.303 3.873 . 0 0 "[ . 1 . 2]" 1
1124 1 75 GLN H 1 75 GLN QG 3.600 . 3.600 2.524 2.280 2.794 . 0 0 "[ . 1 . 2]" 1
1125 1 75 GLN H 1 75 GLN HG3 4.230 . 4.230 2.907 2.421 3.853 . 0 0 "[ . 1 . 2]" 1
1126 1 75 GLN H 1 76 ARG H 3.980 . 3.980 3.183 2.917 3.363 . 0 0 "[ . 1 . 2]" 1
1127 1 75 GLN HA 1 75 GLN QG 3.650 . 3.650 2.339 2.160 2.790 . 0 0 "[ . 1 . 2]" 1
1128 1 75 GLN HA 1 78 LEU QB 4.220 . 4.220 2.771 2.266 3.617 . 0 0 "[ . 1 . 2]" 1
1129 1 75 GLN QB 1 76 ARG HA 4.030 . 4.030 3.765 3.435 3.961 . 0 0 "[ . 1 . 2]" 1
1130 1 75 GLN QG 1 76 ARG H 5.040 . 5.040 4.501 4.139 4.699 . 0 0 "[ . 1 . 2]" 1
1131 1 76 ARG H 1 76 ARG QB 3.220 . 3.220 2.383 2.072 2.623 . 0 0 "[ . 1 . 2]" 1
1132 1 76 ARG H 1 77 GLU H 3.740 . 3.740 2.771 2.655 2.953 . 0 0 "[ . 1 . 2]" 1
1133 1 76 ARG HA 1 76 ARG QD 4.350 . 4.350 3.492 1.941 4.206 . 0 0 "[ . 1 . 2]" 1
1134 1 76 ARG HA 1 76 ARG QG 3.350 . 3.350 2.456 2.206 2.790 . 0 0 "[ . 1 . 2]" 1
1135 1 76 ARG HA 1 79 LEU HB2 4.300 . 4.300 4.100 3.422 4.375 0.075 20 0 "[ . 1 . 2]" 1
1136 1 76 ARG HA 1 79 LEU QB 3.630 . 3.630 2.888 2.391 3.175 . 0 0 "[ . 1 . 2]" 1
1137 1 76 ARG HA 1 79 LEU HB3 4.300 . 4.300 2.954 2.429 3.262 . 0 0 "[ . 1 . 2]" 1
1138 1 76 ARG QB 1 76 ARG QD 3.450 . 3.450 2.309 2.076 2.888 . 0 0 "[ . 1 . 2]" 1
1139 1 76 ARG QB 1 77 GLU H 3.890 . 3.890 2.615 2.287 2.959 . 0 0 "[ . 1 . 2]" 1
1140 1 76 ARG QB 1 77 GLU QG 3.520 . 3.520 3.143 2.429 3.553 0.033 18 0 "[ . 1 . 2]" 1
1141 1 76 ARG QG 1 79 LEU QD 4.570 . 4.570 4.356 3.194 4.675 0.105 20 0 "[ . 1 . 2]" 1
1142 1 77 GLU H 1 77 GLU QG 3.590 . 3.590 2.150 1.838 2.429 . 0 0 "[ . 1 . 2]" 1
1143 1 77 GLU H 1 78 LEU H 3.710 . 3.710 2.701 2.554 2.820 . 0 0 "[ . 1 . 2]" 1
1144 1 77 GLU HA 1 77 GLU QG 3.600 . 3.600 2.630 2.372 3.161 . 0 0 "[ . 1 . 2]" 1
1145 1 77 GLU HA 1 80 HIS H 4.260 . 4.260 3.883 3.620 4.106 . 0 0 "[ . 1 . 2]" 1
1146 1 77 GLU HA 1 80 HIS HB2 4.280 . 4.280 3.921 3.477 4.324 0.044 15 0 "[ . 1 . 2]" 1
1147 1 77 GLU HA 1 80 HIS HB3 4.280 . 4.280 3.492 2.898 4.019 . 0 0 "[ . 1 . 2]" 1
1148 1 78 LEU H 1 78 LEU QB 3.640 . 3.640 2.070 1.926 2.187 . 0 0 "[ . 1 . 2]" 1
1149 1 78 LEU H 1 79 LEU H 3.490 . 3.490 2.500 2.377 2.696 . 0 0 "[ . 1 . 2]" 1
1150 1 78 LEU HA 1 78 LEU QD 3.980 . 3.980 3.150 2.964 3.240 . 0 0 "[ . 1 . 2]" 1
1151 1 78 LEU HA 1 81 CYS H 4.350 . 4.350 3.522 3.133 3.848 . 0 0 "[ . 1 . 2]" 1
1152 1 78 LEU HA 1 81 CYS QB 4.620 . 4.620 2.878 2.551 3.367 . 0 0 "[ . 1 . 2]" 1
1153 1 78 LEU HA 1 82 ALA H 4.770 . 4.770 4.019 3.789 4.250 . 0 0 "[ . 1 . 2]" 1
1154 1 78 LEU HA 1 92 TYR QE 5.400 . 5.400 4.258 3.514 5.149 . 0 0 "[ . 1 . 2]" 1
1155 1 78 LEU QB 1 79 LEU QB 4.920 . 4.920 4.132 3.714 4.412 . 0 0 "[ . 1 . 2]" 1
1156 1 78 LEU QD 1 79 LEU HA 3.510 . 3.510 2.800 2.570 2.993 . 0 0 "[ . 1 . 2]" 1
1157 1 78 LEU QD 1 79 LEU QB 3.480 . 3.480 3.491 3.221 3.568 0.088 18 0 "[ . 1 . 2]" 1
1158 1 78 LEU QD 1 82 ALA MB 3.750 . 3.750 2.769 2.372 3.372 . 0 0 "[ . 1 . 2]" 1
1159 1 78 LEU QD 1 89 PRO HA 4.410 . 4.410 2.692 2.349 3.349 . 0 0 "[ . 1 . 2]" 1
1160 1 78 LEU QD 1 89 PRO HB3 4.440 . 4.440 2.405 1.823 2.663 . 0 0 "[ . 1 . 2]" 1
1161 1 78 LEU QD 1 89 PRO QG 5.060 . 5.060 3.737 2.961 3.988 . 0 0 "[ . 1 . 2]" 1
1162 1 78 LEU QD 1 92 TYR HB3 4.540 . 4.540 2.770 2.062 3.999 . 0 0 "[ . 1 . 2]" 1
1163 1 78 LEU QD 1 92 TYR QD 4.160 . 4.160 2.591 2.172 3.816 . 0 0 "[ . 1 . 2]" 1
1164 1 78 LEU QD 1 92 TYR QE 5.120 . 5.120 3.594 2.882 4.688 . 0 0 "[ . 1 . 2]" 1
1165 1 78 LEU QD 1 93 LEU H 5.160 . 5.160 3.001 2.505 4.052 . 0 0 "[ . 1 . 2]" 1
1166 1 78 LEU HG 1 79 LEU H 4.870 . 4.870 4.578 4.382 4.765 . 0 0 "[ . 1 . 2]" 1
1167 1 78 LEU HG 1 82 ALA MB 5.120 . 5.120 4.115 3.405 4.908 . 0 0 "[ . 1 . 2]" 1
1168 1 78 LEU HG 1 89 PRO HB2 5.500 . 5.500 5.310 4.546 5.521 0.021 10 0 "[ . 1 . 2]" 1
1169 1 79 LEU H 1 79 LEU QB 3.100 . 3.100 2.302 2.206 2.381 . 0 0 "[ . 1 . 2]" 1
1170 1 79 LEU H 1 79 LEU HG 5.500 . 5.500 4.567 4.469 4.686 . 0 0 "[ . 1 . 2]" 1
1171 1 79 LEU H 1 80 HIS H 3.660 . 3.660 2.695 2.602 2.820 . 0 0 "[ . 1 . 2]" 1
1172 1 79 LEU HA 1 79 LEU QD 4.190 . 4.190 2.171 2.073 2.256 . 0 0 "[ . 1 . 2]" 1
1173 1 79 LEU HA 1 81 CYS QB 5.500 . 5.500 4.768 4.507 5.196 . 0 0 "[ . 1 . 2]" 1
1174 1 79 LEU HA 1 82 ALA H 4.950 . 4.950 3.481 3.200 3.971 . 0 0 "[ . 1 . 2]" 1
1175 1 79 LEU HA 1 82 ALA MB 3.650 . 3.650 2.163 1.876 2.574 . 0 0 "[ . 1 . 2]" 1
1176 1 79 LEU QB 1 79 LEU QD 2.790 . 2.790 1.941 1.904 1.970 . 0 0 "[ . 1 . 2]" 1
1177 1 79 LEU QB 1 80 HIS H 3.530 . 3.530 2.817 2.490 3.025 . 0 0 "[ . 1 . 2]" 1
1178 1 79 LEU QB 1 80 HIS HA 5.060 . 5.060 4.253 3.993 4.367 . 0 0 "[ . 1 . 2]" 1
1179 1 79 LEU QD 1 80 HIS HA 4.780 . 4.780 4.308 4.071 4.556 . 0 0 "[ . 1 . 2]" 1
1180 1 79 LEU QD 1 82 ALA MB 4.160 . 4.160 2.360 1.931 3.225 . 0 0 "[ . 1 . 2]" 1
1181 1 79 LEU QD 1 83 ARG QD 3.900 . 3.900 3.076 2.348 3.688 . 0 0 "[ . 1 . 2]" 1
1182 1 79 LEU QD 1 89 PRO QG 5.110 . 5.110 2.305 1.837 2.950 . 0 0 "[ . 1 . 2]" 1
1183 1 79 LEU HG 1 82 ALA MB 5.500 . 5.500 3.971 3.594 4.408 . 0 0 "[ . 1 . 2]" 1
1184 1 79 LEU HG 1 83 ARG H 4.610 . 4.610 4.042 3.779 4.432 . 0 0 "[ . 1 . 2]" 1
1185 1 79 LEU HG 1 83 ARG QD 3.180 . 3.180 2.836 1.765 3.263 0.083 19 0 "[ . 1 . 2]" 1
1186 1 80 HIS H 1 80 HIS HB2 3.430 . 3.430 2.563 2.419 2.700 . 0 0 "[ . 1 . 2]" 1
1187 1 80 HIS H 1 80 HIS HB3 3.430 . 3.430 2.559 2.308 2.811 . 0 0 "[ . 1 . 2]" 1
1188 1 80 HIS H 1 81 CYS H 3.450 . 3.450 2.475 2.428 2.560 . 0 0 "[ . 1 . 2]" 1
1189 1 80 HIS HA 1 80 HIS HD2 4.630 . 4.630 4.201 2.796 4.572 . 0 0 "[ . 1 . 2]" 1
1190 1 80 HIS HA 1 83 ARG H 4.960 . 4.960 3.568 3.405 3.874 . 0 0 "[ . 1 . 2]" 1
1191 1 80 HIS HA 1 83 ARG QB 4.060 . 4.060 2.641 2.096 4.101 0.041 3 0 "[ . 1 . 2]" 1
1192 1 80 HIS HA 1 83 ARG QD 4.510 . 4.510 3.276 1.851 4.538 0.028 11 0 "[ . 1 . 2]" 1
1193 1 80 HIS HA 1 83 ARG QG 5.450 . 5.450 3.134 2.146 4.477 . 0 0 "[ . 1 . 2]" 1
1194 1 80 HIS QB 1 81 CYS H 3.450 . 3.450 2.349 2.197 2.513 . 0 0 "[ . 1 . 2]" 1
1195 1 80 HIS HB2 1 81 CYS H 3.970 . 3.970 3.630 3.499 3.743 . 0 0 "[ . 1 . 2]" 1
1196 1 80 HIS HB3 1 81 CYS H 3.970 . 3.970 2.379 2.219 2.565 . 0 0 "[ . 1 . 2]" 1
1197 1 80 HIS HD2 1 81 CYS HA 4.750 . 4.750 3.740 3.290 4.768 0.018 14 0 "[ . 1 . 2]" 1
1198 1 80 HIS HD2 1 84 LEU QD 4.240 . 4.240 3.192 2.429 4.273 0.033 20 0 "[ . 1 . 2]" 1
1199 1 81 CYS H 1 81 CYS QB 3.470 . 3.470 2.597 2.377 2.730 . 0 0 "[ . 1 . 2]" 1
1200 1 81 CYS H 1 82 ALA H 3.660 . 3.660 3.023 2.927 3.159 . 0 0 "[ . 1 . 2]" 1
1201 1 81 CYS HA 1 82 ALA MB 5.130 . 5.130 5.044 5.008 5.080 . 0 0 "[ . 1 . 2]" 1
1202 1 81 CYS HA 1 84 LEU QB 4.520 . 4.520 3.437 2.801 4.555 0.035 14 0 "[ . 1 . 2]" 1
1203 1 81 CYS HA 1 84 LEU QD 3.960 . 3.960 3.029 2.403 3.552 . 0 0 "[ . 1 . 2]" 1
1204 1 81 CYS QB 1 82 ALA H 3.810 . 3.810 2.056 1.952 2.255 . 0 0 "[ . 1 . 2]" 1
1205 1 81 CYS QB 1 92 TYR QE 4.190 . 4.190 3.098 2.758 3.598 . 0 0 "[ . 1 . 2]" 1
1206 1 82 ALA H 1 82 ALA MB 3.350 . 3.350 2.271 2.228 2.328 . 0 0 "[ . 1 . 2]" 1
1207 1 82 ALA H 1 83 ARG H 3.690 . 3.690 3.145 3.083 3.214 . 0 0 "[ . 1 . 2]" 1
1208 1 82 ALA H 1 83 ARG QB 5.030 . 5.030 4.994 4.688 5.245 0.215 3 0 "[ . 1 . 2]" 1
1209 1 82 ALA HA 1 85 ALA MB 3.860 . 3.860 2.678 2.339 3.164 . 0 0 "[ . 1 . 2]" 1
1210 1 82 ALA HA 1 92 TYR QD 4.560 . 4.560 3.076 2.613 3.654 . 0 0 "[ . 1 . 2]" 1
1211 1 82 ALA MB 1 83 ARG H 3.700 . 3.700 2.254 2.134 2.377 . 0 0 "[ . 1 . 2]" 1
1212 1 82 ALA MB 1 83 ARG QB 4.590 . 4.590 4.149 3.433 4.413 . 0 0 "[ . 1 . 2]" 1
1213 1 82 ALA MB 1 83 ARG QG 4.060 . 4.060 3.480 3.105 4.093 0.033 3 0 "[ . 1 . 2]" 1
1214 1 82 ALA MB 1 87 GLN QG 4.770 . 4.770 3.288 2.477 4.206 . 0 0 "[ . 1 . 2]" 1
1215 1 82 ALA MB 1 89 PRO HA 3.400 . 3.400 2.236 2.003 2.609 . 0 0 "[ . 1 . 2]" 1
1216 1 82 ALA MB 1 89 PRO HB2 4.120 . 4.120 4.056 3.796 4.176 0.056 8 0 "[ . 1 . 2]" 1
1217 1 82 ALA MB 1 89 PRO HB3 3.890 . 3.890 2.864 2.527 3.114 . 0 0 "[ . 1 . 2]" 1
1218 1 82 ALA MB 1 89 PRO QD 4.490 . 4.490 2.868 2.556 3.312 . 0 0 "[ . 1 . 2]" 1
1219 1 82 ALA MB 1 89 PRO QG 4.580 . 4.580 3.827 2.613 4.171 . 0 0 "[ . 1 . 2]" 1
1220 1 82 ALA MB 1 92 TYR HB2 4.120 . 4.120 2.928 2.482 3.527 . 0 0 "[ . 1 . 2]" 1
1221 1 82 ALA MB 1 92 TYR HB3 3.970 . 3.970 2.993 2.492 3.481 . 0 0 "[ . 1 . 2]" 1
1222 1 82 ALA MB 1 92 TYR QD 4.210 . 4.210 3.592 3.061 4.194 . 0 0 "[ . 1 . 2]" 1
1223 1 83 ARG H 1 83 ARG QB 3.250 . 3.250 2.446 2.244 2.618 . 0 0 "[ . 1 . 2]" 1
1224 1 83 ARG H 1 83 ARG QD 4.550 . 4.550 3.946 3.135 4.321 . 0 0 "[ . 1 . 2]" 1
1225 1 83 ARG H 1 83 ARG QG 3.830 . 3.830 2.487 2.140 2.950 . 0 0 "[ . 1 . 2]" 1
1226 1 83 ARG H 1 84 LEU H 3.590 . 3.590 3.171 3.116 3.256 . 0 0 "[ . 1 . 2]" 1
1227 1 83 ARG H 1 84 LEU QB 5.340 . 5.340 4.972 4.491 5.288 . 0 0 "[ . 1 . 2]" 1
1228 1 83 ARG H 1 85 ALA MB 5.500 . 5.500 4.885 4.742 5.153 . 0 0 "[ . 1 . 2]" 1
1229 1 83 ARG HA 1 83 ARG QD 4.850 . 4.850 3.593 1.825 4.190 . 0 0 "[ . 1 . 2]" 1
1230 1 83 ARG HA 1 83 ARG QG 3.570 . 3.570 2.483 2.061 3.442 . 0 0 "[ . 1 . 2]" 1
1231 1 83 ARG HA 1 86 LYS H 4.330 . 4.330 3.667 3.406 4.063 . 0 0 "[ . 1 . 2]" 1
1232 1 83 ARG HA 1 87 GLN H 4.420 . 4.420 3.925 3.313 4.432 0.012 1 0 "[ . 1 . 2]" 1
1233 1 83 ARG QB 1 84 LEU H 4.700 . 4.700 2.743 2.375 3.739 . 0 0 "[ . 1 . 2]" 1
1234 1 84 LEU H 1 84 LEU HB2 3.860 . 3.860 2.370 2.078 3.519 . 0 0 "[ . 1 . 2]" 1
1235 1 84 LEU H 1 84 LEU QB 3.340 . 3.340 2.243 1.952 2.427 . 0 0 "[ . 1 . 2]" 1
1236 1 84 LEU H 1 84 LEU HB3 3.860 . 3.860 3.223 2.159 3.584 . 0 0 "[ . 1 . 2]" 1
1237 1 84 LEU H 1 84 LEU MD1 5.500 . 5.500 3.122 2.045 4.030 . 0 0 "[ . 1 . 2]" 1
1238 1 84 LEU H 1 84 LEU MD2 5.500 . 5.500 3.507 2.340 4.041 . 0 0 "[ . 1 . 2]" 1
1239 1 84 LEU H 1 85 ALA H 3.690 . 3.690 2.620 2.543 2.715 . 0 0 "[ . 1 . 2]" 1
1240 1 84 LEU HA 1 84 LEU MD1 3.940 . 3.940 3.130 2.042 3.917 . 0 0 "[ . 1 . 2]" 1
1241 1 84 LEU HA 1 84 LEU QD 3.010 . 3.010 2.364 1.956 3.289 0.279 14 0 "[ . 1 . 2]" 1
1242 1 84 LEU HA 1 84 LEU MD2 3.940 . 3.940 3.068 1.986 3.979 0.039 14 0 "[ . 1 . 2]" 1
1243 1 84 LEU HA 1 84 LEU HG 4.190 . 4.190 3.000 2.477 3.730 . 0 0 "[ . 1 . 2]" 1
1244 1 84 LEU QB 1 85 ALA H 3.420 . 3.420 2.566 2.177 3.447 0.027 14 0 "[ . 1 . 2]" 1
1245 1 84 LEU QB 1 85 ALA MB 4.810 . 4.810 3.747 3.467 4.521 . 0 0 "[ . 1 . 2]" 1
1246 1 85 ALA H 1 86 LYS H 3.530 . 3.530 2.571 2.440 2.690 . 0 0 "[ . 1 . 2]" 1
1247 1 85 ALA H 1 86 LYS HA 4.960 . 4.960 4.765 4.609 4.987 0.027 14 0 "[ . 1 . 2]" 1
1248 1 85 ALA H 1 87 GLN H 4.370 . 4.370 4.429 4.376 4.509 0.139 5 0 "[ . 1 . 2]" 1
1249 1 85 ALA MB 1 86 LYS H 3.710 . 3.710 2.994 2.803 3.225 . 0 0 "[ . 1 . 2]" 1
1250 1 85 ALA MB 1 86 LYS HA 5.020 . 5.020 4.502 4.289 4.797 . 0 0 "[ . 1 . 2]" 1
1251 1 85 ALA MB 1 87 GLN H 3.850 . 3.850 3.361 3.179 3.546 . 0 0 "[ . 1 . 2]" 1
1252 1 85 ALA MB 1 87 GLN QB 4.520 . 4.520 3.585 3.176 3.978 . 0 0 "[ . 1 . 2]" 1
1253 1 85 ALA MB 1 87 GLN HG2 3.790 . 3.790 2.139 1.862 2.802 . 0 0 "[ . 1 . 2]" 1
1254 1 85 ALA MB 1 87 GLN HG3 3.790 . 3.790 3.072 1.922 3.588 . 0 0 "[ . 1 . 2]" 1
1255 1 85 ALA MB 1 92 TYR HB2 5.280 . 5.280 4.277 3.654 5.016 . 0 0 "[ . 1 . 2]" 1
1256 1 85 ALA MB 1 92 TYR QD 3.740 . 3.740 3.031 2.350 3.694 . 0 0 "[ . 1 . 2]" 1
1257 1 85 ALA MB 1 92 TYR QE 3.880 . 3.880 3.226 2.392 3.886 0.006 1 0 "[ . 1 . 2]" 1
1258 1 86 LYS H 1 86 LYS HB2 4.180 . 4.180 3.310 3.052 4.114 . 0 0 "[ . 1 . 2]" 1
1259 1 86 LYS H 1 86 LYS QB 3.670 . 3.670 3.054 2.921 3.382 . 0 0 "[ . 1 . 2]" 1
1260 1 86 LYS H 1 86 LYS HB3 4.180 . 4.180 3.722 3.147 4.175 . 0 0 "[ . 1 . 2]" 1
1261 1 86 LYS H 1 86 LYS QD 5.180 . 5.180 4.561 3.810 5.179 . 0 0 "[ . 1 . 2]" 1
1262 1 86 LYS H 1 87 GLN H 3.340 . 3.340 2.731 2.600 2.961 . 0 0 "[ . 1 . 2]" 1
1263 1 86 LYS H 1 87 GLN QG 4.610 . 4.610 3.828 3.592 4.026 . 0 0 "[ . 1 . 2]" 1
1264 1 86 LYS HA 1 86 LYS QE 5.500 . 5.500 4.419 3.711 5.551 0.051 6 0 "[ . 1 . 2]" 1
1265 1 86 LYS HA 1 86 LYS QG 3.350 . 3.350 2.693 2.204 3.453 0.103 6 0 "[ . 1 . 2]" 1
1266 1 86 LYS HA 1 87 GLN H 3.380 . 3.380 2.497 2.321 2.742 . 0 0 "[ . 1 . 2]" 1
1267 1 86 LYS QB 1 87 GLN H 4.330 . 4.330 3.969 3.880 4.047 . 0 0 "[ . 1 . 2]" 1
1268 1 86 LYS QG 1 87 GLN H 4.800 . 4.800 4.400 4.007 4.696 . 0 0 "[ . 1 . 2]" 1
1269 1 87 GLN H 1 87 GLN QB 3.830 . 3.830 3.259 3.104 3.375 . 0 0 "[ . 1 . 2]" 1
1270 1 87 GLN H 1 87 GLN HG2 4.110 . 4.110 2.954 2.570 4.152 0.042 7 0 "[ . 1 . 2]" 1
1271 1 87 GLN H 1 87 GLN QG 3.420 . 3.420 2.612 2.477 2.792 . 0 0 "[ . 1 . 2]" 1
1272 1 87 GLN H 1 87 GLN HG3 4.110 . 4.110 3.243 2.514 3.693 . 0 0 "[ . 1 . 2]" 1
1273 1 87 GLN H 1 88 ASN H 4.530 . 4.530 4.348 4.234 4.439 . 0 0 "[ . 1 . 2]" 1
1274 1 87 GLN HA 1 87 GLN HG2 4.000 . 4.000 3.839 3.728 4.128 0.128 17 0 "[ . 1 . 2]" 1
1275 1 87 GLN HA 1 87 GLN HG3 4.000 . 4.000 3.767 3.562 3.878 . 0 0 "[ . 1 . 2]" 1
1276 1 87 GLN HA 1 88 ASN QD 5.130 . 5.130 4.057 3.034 5.247 0.117 2 0 "[ . 1 . 2]" 1
1277 1 87 GLN QB 1 87 GLN QE 3.970 . 3.970 2.992 1.790 3.438 0.010 2 0 "[ . 1 . 2]" 1
1278 1 87 GLN QB 1 87 GLN HE22 4.550 . 4.550 3.768 3.214 4.038 . 0 0 "[ . 1 . 2]" 1
1279 1 87 GLN QB 1 88 ASN H 4.810 . 4.810 2.479 1.995 2.752 . 0 0 "[ . 1 . 2]" 1
1280 1 87 GLN QB 1 92 TYR QD 4.860 . 4.860 4.850 3.991 4.986 0.126 8 0 "[ . 1 . 2]" 1
1281 1 87 GLN QE 1 87 GLN QG 3.090 . 3.090 2.209 2.089 2.696 . 0 0 "[ . 1 . 2]" 1
1282 1 87 GLN QG 1 88 ASN H 5.270 . 5.270 3.700 3.344 4.301 . 0 0 "[ . 1 . 2]" 1
1283 1 87 GLN QG 1 92 TYR HB2 4.460 . 4.460 2.847 2.079 4.439 . 0 0 "[ . 1 . 2]" 1
1284 1 87 GLN QG 1 92 TYR QD 4.070 . 4.070 3.149 2.149 3.640 . 0 0 "[ . 1 . 2]" 1
1285 1 87 GLN QG 1 92 TYR QE 5.300 . 5.300 4.839 3.887 5.117 . 0 0 "[ . 1 . 2]" 1
1286 1 87 GLN HG2 1 92 TYR HB2 5.240 . 5.240 4.024 3.400 5.066 . 0 0 "[ . 1 . 2]" 1
1287 1 87 GLN HG2 1 92 TYR QD 4.880 . 4.880 3.632 2.804 4.135 . 0 0 "[ . 1 . 2]" 1
1288 1 87 GLN HG3 1 92 TYR HB2 5.240 . 5.240 2.953 2.089 4.908 . 0 0 "[ . 1 . 2]" 1
1289 1 87 GLN HG3 1 92 TYR QD 4.880 . 4.880 3.482 2.232 4.042 . 0 0 "[ . 1 . 2]" 1
1290 1 88 ASN H 1 88 ASN HB2 3.680 . 3.680 2.351 2.092 2.789 . 0 0 "[ . 1 . 2]" 1
1291 1 88 ASN H 1 91 GLN QG 5.340 . 5.340 4.450 3.101 5.292 . 0 0 "[ . 1 . 2]" 1
1292 1 88 ASN HA 1 88 ASN HD21 3.710 . 3.710 2.564 1.802 3.469 . 0 0 "[ . 1 . 2]" 1
1293 1 88 ASN HA 1 88 ASN QD 3.150 . 3.150 2.501 1.793 3.238 0.088 1 0 "[ . 1 . 2]" 1
1294 1 88 ASN HA 1 88 ASN HD22 3.710 . 3.710 3.658 3.216 3.877 0.167 1 0 "[ . 1 . 2]" 1
1295 1 88 ASN HA 1 89 PRO QD 3.470 . 3.470 2.048 1.912 2.247 . 0 0 "[ . 1 . 2]" 1
1296 1 88 ASN HA 1 89 PRO HG2 5.340 . 5.340 4.348 4.162 4.637 . 0 0 "[ . 1 . 2]" 1
1297 1 88 ASN HA 1 89 PRO QG 4.580 . 4.580 3.945 3.810 4.162 . 0 0 "[ . 1 . 2]" 1
1298 1 88 ASN HA 1 89 PRO HG3 5.340 . 5.340 4.526 4.387 4.708 . 0 0 "[ . 1 . 2]" 1
1299 1 88 ASN HA 1 90 ALA H 4.520 . 4.520 4.207 3.898 4.459 . 0 0 "[ . 1 . 2]" 1
1300 1 88 ASN HB2 1 89 PRO QD 4.100 . 4.100 3.788 3.530 3.958 . 0 0 "[ . 1 . 2]" 1
1301 1 88 ASN HB2 1 90 ALA MB 4.170 . 4.170 3.596 2.981 4.227 0.057 14 0 "[ . 1 . 2]" 1
1302 1 88 ASN HB2 1 91 GLN H 4.120 . 4.120 3.333 2.543 4.148 0.028 17 0 "[ . 1 . 2]" 1
1303 1 88 ASN HB2 1 91 GLN QB 4.040 . 4.040 3.648 2.563 4.119 0.079 6 0 "[ . 1 . 2]" 1
1304 1 88 ASN HB3 1 89 PRO QD 3.810 . 3.810 2.614 2.099 3.593 . 0 0 "[ . 1 . 2]" 1
1305 1 88 ASN HB3 1 90 ALA HA 5.500 . 5.500 5.279 4.829 5.527 0.027 10 0 "[ . 1 . 2]" 1
1306 1 88 ASN HB3 1 90 ALA MB 4.300 . 4.300 3.061 2.555 3.349 . 0 0 "[ . 1 . 2]" 1
1307 1 88 ASN HB3 1 91 GLN H 4.430 . 4.430 3.402 2.385 4.117 . 0 0 "[ . 1 . 2]" 1
1308 1 88 ASN HB3 1 91 GLN QB 5.500 . 5.500 4.479 3.098 5.456 . 0 0 "[ . 1 . 2]" 1
1309 1 88 ASN QD 1 89 PRO QD 4.510 . 4.510 3.407 2.333 4.367 . 0 0 "[ . 1 . 2]" 1
1310 1 89 PRO HA 1 92 TYR H 3.870 . 3.870 3.401 2.969 3.960 0.090 20 0 "[ . 1 . 2]" 1
1311 1 89 PRO HA 1 92 TYR HB2 4.080 . 4.080 3.080 2.438 3.431 . 0 0 "[ . 1 . 2]" 1
1312 1 89 PRO HA 1 92 TYR HB3 4.090 . 4.090 2.443 1.901 2.727 . 0 0 "[ . 1 . 2]" 1
1313 1 89 PRO HA 1 92 TYR QD 4.720 . 4.720 4.214 3.328 4.452 . 0 0 "[ . 1 . 2]" 1
1314 1 89 PRO HA 1 93 LEU H 4.750 . 4.750 3.863 3.626 4.802 0.052 8 0 "[ . 1 . 2]" 1
1315 1 89 PRO HA 1 93 LEU MD2 4.490 . 4.490 4.166 3.963 4.275 . 0 0 "[ . 1 . 2]" 1
1316 1 89 PRO HB2 1 90 ALA H 3.470 . 3.470 3.099 2.799 3.272 . 0 0 "[ . 1 . 2]" 1
1317 1 89 PRO HB2 1 90 ALA MB 4.550 . 4.550 4.407 4.110 4.607 0.057 20 0 "[ . 1 . 2]" 1
1318 1 89 PRO HB2 1 92 TYR HB3 5.250 . 5.250 4.566 3.957 4.855 . 0 0 "[ . 1 . 2]" 1
1319 1 89 PRO HB2 1 93 LEU MD2 4.350 . 4.350 2.948 2.708 3.212 . 0 0 "[ . 1 . 2]" 1
1320 1 89 PRO QD 1 90 ALA H 3.770 . 3.770 2.997 2.599 3.150 . 0 0 "[ . 1 . 2]" 1
1321 1 89 PRO QG 1 93 LEU MD2 4.140 . 4.140 4.157 3.846 4.272 0.132 9 0 "[ . 1 . 2]" 1
1322 1 90 ALA H 1 90 ALA MB 2.950 . 2.950 2.205 2.140 2.285 . 0 0 "[ . 1 . 2]" 1
1323 1 90 ALA H 1 91 GLN H 3.310 . 3.310 2.901 2.813 2.962 . 0 0 "[ . 1 . 2]" 1
1324 1 90 ALA H 1 93 LEU MD2 3.840 . 3.840 3.870 3.645 3.912 0.072 10 0 "[ . 1 . 2]" 1
1325 1 90 ALA H 1 93 LEU HG 5.500 . 5.500 4.500 4.242 4.895 . 0 0 "[ . 1 . 2]" 1
1326 1 90 ALA HA 1 92 TYR HB3 5.500 . 5.500 5.429 5.128 5.545 0.045 8 0 "[ . 1 . 2]" 1
1327 1 90 ALA HA 1 93 LEU QB 4.630 . 4.630 4.395 4.086 4.635 0.005 7 0 "[ . 1 . 2]" 1
1328 1 90 ALA HA 1 93 LEU MD1 3.400 . 3.400 2.912 2.391 3.419 0.019 13 0 "[ . 1 . 2]" 1
1329 1 90 ALA HA 1 93 LEU MD2 3.070 . 3.070 2.268 2.053 2.462 . 0 0 "[ . 1 . 2]" 1
1330 1 90 ALA HA 1 93 LEU HG 3.440 . 3.440 2.483 2.066 2.892 . 0 0 "[ . 1 . 2]" 1
1331 1 90 ALA MB 1 91 GLN H 3.530 . 3.530 2.310 2.089 2.617 . 0 0 "[ . 1 . 2]" 1
1332 1 90 ALA MB 1 91 GLN HE21 4.570 . 4.570 3.848 2.879 4.657 0.087 15 0 "[ . 1 . 2]" 1
1333 1 90 ALA MB 1 91 GLN QE 3.870 . 3.870 3.298 2.785 3.921 0.051 13 0 "[ . 1 . 2]" 1
1334 1 90 ALA MB 1 91 GLN HE22 4.570 . 4.570 3.967 3.059 4.699 0.129 3 0 "[ . 1 . 2]" 1
1335 1 90 ALA MB 1 91 GLN QG 5.260 . 5.260 3.718 2.752 4.780 . 0 0 "[ . 1 . 2]" 1
1336 1 91 GLN H 1 91 GLN QB 3.280 . 3.280 2.401 2.233 2.808 . 0 0 "[ . 1 . 2]" 1
1337 1 91 GLN H 1 91 GLN HG2 4.190 . 4.190 3.487 1.932 4.169 . 0 0 "[ . 1 . 2]" 1
1338 1 91 GLN H 1 91 GLN QG 3.670 . 3.670 2.923 1.924 3.698 0.028 13 0 "[ . 1 . 2]" 1
1339 1 91 GLN H 1 91 GLN HG3 4.190 . 4.190 3.537 2.447 4.222 0.032 13 0 "[ . 1 . 2]" 1
1340 1 91 GLN H 1 92 TYR H 3.590 . 3.590 2.439 2.282 2.592 . 0 0 "[ . 1 . 2]" 1
1341 1 91 GLN HA 1 91 GLN HG2 4.050 . 4.050 3.392 2.629 3.703 . 0 0 "[ . 1 . 2]" 1
1342 1 91 GLN HA 1 91 GLN QG 3.490 . 3.490 2.663 2.328 3.368 . 0 0 "[ . 1 . 2]" 1
1343 1 91 GLN HA 1 91 GLN HG3 4.050 . 4.050 2.960 2.385 4.131 0.081 13 0 "[ . 1 . 2]" 1
1344 1 91 GLN HA 1 94 ALA MB 3.340 . 3.340 2.379 1.899 2.699 . 0 0 "[ . 1 . 2]" 1
1345 1 91 GLN QB 1 92 TYR HA 5.120 . 5.120 4.128 3.859 4.990 . 0 0 "[ . 1 . 2]" 1
1346 1 91 GLN QG 1 94 ALA MB 4.060 . 4.060 4.069 3.582 4.284 0.224 1 0 "[ . 1 . 2]" 1
1347 1 92 TYR H 1 93 LEU H 4.250 . 4.250 2.747 2.553 3.779 . 0 0 "[ . 1 . 2]" 1
1348 1 92 TYR H 1 93 LEU HG 4.180 . 4.180 3.935 3.715 4.472 0.292 20 0 "[ . 1 . 2]" 1
1349 1 92 TYR HA 1 92 TYR QD 4.330 . 4.330 2.961 2.823 3.101 . 0 0 "[ . 1 . 2]" 1
1350 1 92 TYR HB2 1 93 LEU H 5.290 . 5.290 3.799 3.635 4.434 . 0 0 "[ . 1 . 2]" 1
1351 1 92 TYR HB3 1 93 LEU H 5.500 . 5.500 2.460 2.254 3.738 . 0 0 "[ . 1 . 2]" 1
1352 1 92 TYR HB3 1 93 LEU MD2 4.610 . 4.610 4.353 3.990 4.571 . 0 0 "[ . 1 . 2]" 1
1353 1 92 TYR QD 1 93 LEU HA 4.350 . 4.350 2.947 2.517 3.539 . 0 0 "[ . 1 . 2]" 1
1354 1 92 TYR QD 1 93 LEU MD2 4.750 . 4.750 4.685 4.123 4.816 0.066 8 0 "[ . 1 . 2]" 1
1355 1 92 TYR QE 1 93 LEU HA 5.500 . 5.500 4.324 3.877 5.201 . 0 0 "[ . 1 . 2]" 1
1356 1 92 TYR QE 1 100 LEU QD 5.350 . 5.350 5.452 5.288 5.566 0.216 14 0 "[ . 1 . 2]" 1
1357 1 93 LEU H 1 93 LEU MD1 5.500 . 5.500 3.579 3.494 3.683 . 0 0 "[ . 1 . 2]" 1
1358 1 93 LEU H 1 93 LEU MD2 5.230 . 5.230 3.155 2.777 4.164 . 0 0 "[ . 1 . 2]" 1
1359 1 93 LEU H 1 93 LEU HG 4.430 . 4.430 2.149 1.865 2.776 . 0 0 "[ . 1 . 2]" 1
1360 1 93 LEU H 1 94 ALA H 4.190 . 4.190 2.611 1.800 2.768 . 0 0 "[ . 1 . 2]" 1
1361 1 93 LEU HA 1 97 GLU H 4.340 . 4.340 3.435 2.765 4.448 0.108 7 0 "[ . 1 . 2]" 1
1362 1 93 LEU QB 1 93 LEU MD2 2.950 . 2.950 2.094 2.017 2.145 . 0 0 "[ . 1 . 2]" 1
1363 1 93 LEU QB 1 94 ALA H 4.380 . 4.380 3.464 3.250 3.570 . 0 0 "[ . 1 . 2]" 1
1364 1 93 LEU MD1 1 94 ALA HA 4.280 . 4.280 2.815 2.647 3.076 . 0 0 "[ . 1 . 2]" 1
1365 1 93 LEU MD1 1 94 ALA MB 3.350 . 3.350 2.865 2.692 3.177 . 0 0 "[ . 1 . 2]" 1
1366 1 93 LEU MD2 1 94 ALA H 4.450 . 4.450 4.127 3.968 4.248 . 0 0 "[ . 1 . 2]" 1
1367 1 93 LEU HG 1 94 ALA H 4.750 . 4.750 2.522 2.342 2.652 . 0 0 "[ . 1 . 2]" 1
1368 1 94 ALA H 1 94 ALA MB 3.250 . 3.250 2.249 2.146 2.384 . 0 0 "[ . 1 . 2]" 1
1369 1 94 ALA H 1 95 GLN H 3.870 . 3.870 2.810 2.697 2.963 . 0 0 "[ . 1 . 2]" 1
1370 1 94 ALA H 1 95 GLN QB 4.800 . 4.800 4.805 4.462 4.895 0.095 9 0 "[ . 1 . 2]" 1
1371 1 94 ALA MB 1 95 GLN H 4.110 . 4.110 2.259 2.163 2.352 . 0 0 "[ . 1 . 2]" 1
1372 1 94 ALA MB 1 95 GLN HA 3.910 . 3.910 3.759 3.649 3.823 . 0 0 "[ . 1 . 2]" 1
1373 1 95 GLN H 1 95 GLN HG2 4.600 . 4.600 3.364 2.183 4.568 . 0 0 "[ . 1 . 2]" 1
1374 1 95 GLN H 1 95 GLN HG3 4.600 . 4.600 2.954 2.208 4.520 . 0 0 "[ . 1 . 2]" 1
1375 1 95 GLN H 1 96 HIS H 3.600 . 3.600 2.489 2.343 2.620 . 0 0 "[ . 1 . 2]" 1
1376 1 95 GLN HA 1 95 GLN HG2 3.990 . 3.990 3.005 2.494 4.136 0.146 7 0 "[ . 1 . 2]" 1
1377 1 95 GLN HA 1 95 GLN QG 3.300 . 3.300 2.686 2.366 3.409 0.109 7 0 "[ . 1 . 2]" 1
1378 1 95 GLN HA 1 95 GLN HG3 3.990 . 3.990 3.195 2.475 3.767 . 0 0 "[ . 1 . 2]" 1
1379 1 95 GLN QB 1 96 HIS H 4.300 . 4.300 3.230 2.736 3.802 . 0 0 "[ . 1 . 2]" 1
1380 1 96 HIS H 1 96 HIS QB 3.650 . 3.650 2.430 2.305 2.561 . 0 0 "[ . 1 . 2]" 1
1381 1 96 HIS H 1 97 GLU H 3.770 . 3.770 2.535 2.358 2.803 . 0 0 "[ . 1 . 2]" 1
1382 1 96 HIS H 1 97 GLU QB 4.780 . 4.780 4.318 3.972 4.707 . 0 0 "[ . 1 . 2]" 1
1383 1 96 HIS HA 1 98 GLN H 4.690 . 4.690 3.919 3.673 4.151 . 0 0 "[ . 1 . 2]" 1
1384 1 96 HIS QB 1 97 GLU H 3.610 . 3.610 2.421 2.086 3.615 0.005 7 0 "[ . 1 . 2]" 1
1385 1 96 HIS QB 1 100 LEU QD 4.630 . 4.630 3.643 2.358 4.155 . 0 0 "[ . 1 . 2]" 1
1386 1 97 GLU H 1 97 GLU QB 3.550 . 3.550 2.341 2.057 2.655 . 0 0 "[ . 1 . 2]" 1
1387 1 97 GLU H 1 97 GLU QG 4.540 . 4.540 3.191 2.049 4.216 . 0 0 "[ . 1 . 2]" 1
1388 1 97 GLU H 1 98 GLN H 3.920 . 3.920 2.715 1.625 3.034 0.175 8 0 "[ . 1 . 2]" 1
1389 1 97 GLU HA 1 97 GLU HG2 3.990 . 3.990 2.899 2.164 3.819 . 0 0 "[ . 1 . 2]" 1
1390 1 97 GLU HA 1 97 GLU HG3 3.990 . 3.990 2.943 2.410 3.659 . 0 0 "[ . 1 . 2]" 1
1391 1 97 GLU HA 1 100 LEU HB2 4.910 . 4.910 4.839 4.465 5.060 0.150 7 0 "[ . 1 . 2]" 1
1392 1 97 GLU HA 1 100 LEU HB3 4.910 . 4.910 4.120 3.642 4.727 . 0 0 "[ . 1 . 2]" 1
1393 1 97 GLU HA 1 100 LEU MD1 4.490 . 4.490 2.348 1.782 2.783 0.018 20 0 "[ . 1 . 2]" 1
1394 1 97 GLU HA 1 100 LEU QD 3.940 . 3.940 1.792 1.700 2.197 0.100 4 0 "[ . 1 . 2]" 1
1395 1 97 GLU HA 1 100 LEU MD2 4.490 . 4.490 2.015 1.721 2.767 0.079 4 0 "[ . 1 . 2]" 1
1396 1 97 GLU HA 1 100 LEU HG 5.500 . 5.500 3.141 1.771 4.531 0.029 14 0 "[ . 1 . 2]" 1
1397 1 97 GLU QB 1 98 GLN H 3.810 . 3.810 3.237 2.861 3.533 . 0 0 "[ . 1 . 2]" 1
1398 1 97 GLU QB 1 100 LEU QD 5.440 . 5.440 3.017 2.528 3.670 . 0 0 "[ . 1 . 2]" 1
1399 1 97 GLU QG 1 100 LEU QD 3.550 . 3.550 2.500 1.868 3.122 . 0 0 "[ . 1 . 2]" 1
1400 1 97 GLU QG 1 100 LEU HG 5.340 . 5.340 4.526 3.537 5.457 0.117 12 0 "[ . 1 . 2]" 1
1401 1 97 GLU HG2 1 100 LEU MD1 4.750 . 4.750 3.584 2.270 4.794 0.044 15 0 "[ . 1 . 2]" 1
1402 1 97 GLU HG2 1 100 LEU MD2 4.750 . 4.750 3.346 1.989 4.765 0.015 1 0 "[ . 1 . 2]" 1
1403 1 97 GLU HG3 1 100 LEU MD1 4.750 . 4.750 3.849 1.905 4.627 . 0 0 "[ . 1 . 2]" 1
1404 1 97 GLU HG3 1 100 LEU MD2 4.750 . 4.750 3.489 2.311 4.813 0.063 8 0 "[ . 1 . 2]" 1
1405 1 98 GLN H 1 99 LEU H 3.990 . 3.990 2.412 2.173 2.524 . 0 0 "[ . 1 . 2]" 1
1406 1 98 GLN HA 1 98 GLN HG2 4.190 . 4.190 2.890 2.317 3.709 . 0 0 "[ . 1 . 2]" 1
1407 1 98 GLN HA 1 98 GLN QG 3.670 . 3.670 2.646 2.234 3.320 . 0 0 "[ . 1 . 2]" 1
1408 1 98 GLN HA 1 98 GLN HG3 4.190 . 4.190 3.286 2.382 3.774 . 0 0 "[ . 1 . 2]" 1
1409 1 98 GLN HG2 1 100 LEU QD 5.010 . 5.010 5.170 5.057 5.320 0.310 11 0 "[ . 1 . 2]" 1
1410 1 99 LEU H 1 99 LEU HB2 3.840 . 3.840 2.367 1.978 2.600 . 0 0 "[ . 1 . 2]" 1
1411 1 99 LEU H 1 99 LEU HB3 3.840 . 3.840 3.077 2.396 3.642 . 0 0 "[ . 1 . 2]" 1
1412 1 99 LEU H 1 99 LEU QD 4.740 . 4.740 3.224 2.204 3.805 . 0 0 "[ . 1 . 2]" 1
1413 1 99 LEU H 1 100 LEU H 3.610 . 3.610 2.685 2.573 2.981 . 0 0 "[ . 1 . 2]" 1
1414 1 99 LEU HA 1 99 LEU QD 3.080 . 3.080 2.114 1.809 3.080 0.000 3 0 "[ . 1 . 2]" 1
1415 1 99 LEU HA 1 99 LEU HG 3.880 . 3.880 3.290 2.557 3.843 . 0 0 "[ . 1 . 2]" 1
1416 1 99 LEU QB 1 99 LEU QD 2.630 . 2.630 1.998 1.914 2.093 . 0 0 "[ . 1 . 2]" 1
1417 1 99 LEU QB 1 100 LEU H 3.880 . 3.880 3.011 2.442 3.605 . 0 0 "[ . 1 . 2]" 1
1418 1 99 LEU QB 1 100 LEU HA 4.680 . 4.680 4.078 3.651 4.322 . 0 0 "[ . 1 . 2]" 1
1419 1 99 LEU HB2 1 100 LEU H 4.670 . 4.670 3.661 2.924 4.333 . 0 0 "[ . 1 . 2]" 1
1420 1 99 LEU HB3 1 100 LEU H 4.670 . 4.670 3.393 2.549 4.186 . 0 0 "[ . 1 . 2]" 1
1421 1 100 LEU H 1 100 LEU MD1 4.640 . 4.640 3.426 2.815 4.434 . 0 0 "[ . 1 . 2]" 1
1422 1 100 LEU H 1 100 LEU QD 3.740 . 3.740 2.510 1.872 3.350 . 0 0 "[ . 1 . 2]" 1
1423 1 100 LEU H 1 100 LEU MD2 4.640 . 4.640 2.832 1.879 4.411 . 0 0 "[ . 1 . 2]" 1
1424 1 100 LEU H 1 100 LEU HG 4.420 . 4.420 3.038 1.783 4.337 0.017 11 0 "[ . 1 . 2]" 1
1425 1 100 LEU H 1 101 LEU H 3.740 . 3.740 2.397 1.669 2.858 0.131 18 0 "[ . 1 . 2]" 1
1426 1 100 LEU H 1 101 LEU QB 5.180 . 5.180 4.012 3.138 4.384 . 0 0 "[ . 1 . 2]" 1
1427 1 100 LEU HA 1 100 LEU MD1 4.170 . 4.170 3.922 3.661 4.182 0.012 4 0 "[ . 1 . 2]" 1
1428 1 100 LEU HA 1 100 LEU QD 3.420 . 3.420 3.398 3.316 3.449 0.029 13 0 "[ . 1 . 2]" 1
1429 1 100 LEU HA 1 100 LEU MD2 4.170 . 4.170 3.830 3.479 4.165 . 0 0 "[ . 1 . 2]" 1
1430 1 100 LEU HA 1 100 LEU HG 3.720 . 3.720 3.723 3.606 3.830 0.110 10 0 "[ . 1 . 2]" 1
1431 1 100 LEU HA 1 101 LEU QB 5.340 . 5.340 5.002 4.879 5.103 . 0 0 "[ . 1 . 2]" 1
1432 1 100 LEU QB 1 100 LEU QD 2.840 . 2.840 1.958 1.909 1.990 . 0 0 "[ . 1 . 2]" 1
1433 1 100 LEU QD 1 101 LEU H 4.780 . 4.780 2.447 1.773 3.321 0.027 18 0 "[ . 1 . 2]" 1
1434 1 101 LEU H 1 101 LEU HB2 3.950 . 3.950 2.724 2.473 2.903 . 0 0 "[ . 1 . 2]" 1
1435 1 101 LEU H 1 101 LEU QB 3.320 . 3.320 2.228 1.976 2.303 . 0 0 "[ . 1 . 2]" 1
1436 1 101 LEU H 1 101 LEU HB3 3.950 . 3.950 2.371 2.078 2.570 . 0 0 "[ . 1 . 2]" 1
1437 1 101 LEU H 1 101 LEU MD1 5.500 . 5.500 4.242 4.093 4.336 . 0 0 "[ . 1 . 2]" 1
1438 1 101 LEU H 1 101 LEU QD 4.850 . 4.850 3.769 3.567 3.844 . 0 0 "[ . 1 . 2]" 1
1439 1 101 LEU H 1 101 LEU MD2 5.500 . 5.500 4.224 3.897 4.325 . 0 0 "[ . 1 . 2]" 1
1440 1 101 LEU H 1 102 ASP H 4.060 . 4.060 2.305 2.184 2.783 . 0 0 "[ . 1 . 2]" 1
1441 1 101 LEU HA 1 101 LEU MD1 4.140 . 4.140 2.195 1.982 2.370 . 0 0 "[ . 1 . 2]" 1
1442 1 101 LEU HA 1 101 LEU QD 3.110 . 3.110 2.184 1.976 2.353 . 0 0 "[ . 1 . 2]" 1
1443 1 101 LEU HA 1 101 LEU MD2 4.140 . 4.140 3.929 3.869 3.987 . 0 0 "[ . 1 . 2]" 1
1444 1 101 LEU QD 1 102 ASP QB 4.290 . 4.290 3.872 3.220 4.178 . 0 0 "[ . 1 . 2]" 1
1445 1 101 LEU MD1 1 102 ASP H 5.500 . 5.500 4.530 4.261 4.689 . 0 0 "[ . 1 . 2]" 1
1446 1 101 LEU MD2 1 102 ASP H 5.500 . 5.500 4.294 3.742 4.567 . 0 0 "[ . 1 . 2]" 1
1447 1 101 LEU HG 1 102 ASP HA 4.040 . 4.040 3.585 3.205 4.050 0.010 11 0 "[ . 1 . 2]" 1
1448 1 101 LEU HG 1 102 ASP QB 4.200 . 4.200 3.926 3.081 4.282 0.082 10 0 "[ . 1 . 2]" 1
1449 1 102 ASP H 1 102 ASP QB 3.650 . 3.650 2.442 2.118 3.137 . 0 0 "[ . 1 . 2]" 1
1450 1 102 ASP H 1 103 ALA H 4.490 . 4.490 4.444 4.119 4.581 0.091 1 0 "[ . 1 . 2]" 1
1451 1 102 ASP HA 1 103 ALA H 3.240 . 3.240 2.203 1.814 2.536 . 0 0 "[ . 1 . 2]" 1
1452 1 102 ASP HA 1 103 ALA MB 5.190 . 5.190 3.854 3.658 4.185 . 0 0 "[ . 1 . 2]" 1
1453 1 102 ASP HA 1 104 SER H 4.420 . 4.420 4.085 3.745 4.503 0.083 10 0 "[ . 1 . 2]" 1
1454 1 102 ASP QB 1 103 ALA H 4.470 . 4.470 3.332 2.716 3.732 . 0 0 "[ . 1 . 2]" 1
1455 1 103 ALA H 1 103 ALA MB 3.360 . 3.360 2.313 2.224 2.516 . 0 0 "[ . 1 . 2]" 1
1456 1 103 ALA H 1 105 THR H 5.360 . 5.360 4.665 4.157 5.073 . 0 0 "[ . 1 . 2]" 1
1457 1 103 ALA H 1 105 THR MG 4.950 . 4.950 4.731 3.763 5.031 0.081 20 0 "[ . 1 . 2]" 1
1458 1 103 ALA MB 1 104 SER H 4.160 . 4.160 3.395 2.498 3.635 . 0 0 "[ . 1 . 2]" 1
1459 1 103 ALA MB 1 104 SER HA 5.060 . 5.060 4.077 3.944 4.216 . 0 0 "[ . 1 . 2]" 1
1460 1 103 ALA MB 1 104 SER QB 4.550 . 4.550 4.593 4.451 4.706 0.156 5 0 "[ . 1 . 2]" 1
1461 1 103 ALA MB 1 105 THR MG 4.270 . 4.270 4.182 3.545 4.435 0.165 11 0 "[ . 1 . 2]" 1
1462 1 104 SER H 1 104 SER QB 3.660 . 3.660 2.506 2.162 2.827 . 0 0 "[ . 1 . 2]" 1
1463 1 104 SER H 1 105 THR H 4.340 . 4.340 2.604 2.175 3.715 . 0 0 "[ . 1 . 2]" 1
1464 1 104 SER HA 1 104 SER QB 2.690 . 2.690 2.280 2.145 2.434 . 0 0 "[ . 1 . 2]" 1
1465 1 104 SER HA 1 105 THR MG 4.700 . 4.700 4.708 4.436 4.832 0.132 15 0 "[ . 1 . 2]" 1
1466 1 104 SER QB 1 105 THR H 4.470 . 4.470 3.568 2.809 3.860 . 0 0 "[ . 1 . 2]" 1
1467 1 105 THR H 1 105 THR MG 4.100 . 4.100 1.897 1.715 2.127 0.085 10 0 "[ . 1 . 2]" 1
1468 1 105 THR HA 1 105 THR MG 3.640 . 3.640 3.002 2.263 3.245 . 0 0 "[ . 1 . 2]" 1
1469 1 105 THR HA 1 106 THR H 3.520 . 3.520 2.226 2.088 2.450 . 0 0 "[ . 1 . 2]" 1
1470 1 105 THR HB 1 106 THR H 4.460 . 4.460 3.941 2.731 4.482 0.022 15 0 "[ . 1 . 2]" 1
1471 1 105 THR MG 1 106 THR H 4.450 . 4.450 4.045 3.608 4.321 . 0 0 "[ . 1 . 2]" 1
1472 1 106 THR H 1 106 THR MG 4.670 . 4.670 3.302 2.176 3.887 . 0 0 "[ . 1 . 2]" 1
1473 1 106 THR HB 1 107 SER H 4.480 . 4.480 3.312 2.297 4.113 . 0 0 "[ . 1 . 2]" 1
1474 1 106 THR MG 1 107 SER H 4.670 . 4.670 3.976 2.802 4.344 . 0 0 "[ . 1 . 2]" 1
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