NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
539392 |
2lqi   |
18315 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lqi
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 2670
_Distance_constraint_stats_list.Viol_count 3932
_Distance_constraint_stats_list.Viol_total 4098.713
_Distance_constraint_stats_list.Viol_max 0.374
_Distance_constraint_stats_list.Viol_rms 0.0192
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0038
_Distance_constraint_stats_list.Viol_average_violations_only 0.0521
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 1.092 0.171 14 0 "[ . 1 . 2]"
1 2 VAL 1.873 0.171 14 0 "[ . 1 . 2]"
1 3 ARG 3.969 0.225 1 0 "[ . 1 . 2]"
1 4 LYS 6.635 0.225 1 0 "[ . 1 . 2]"
1 5 GLY 0.188 0.036 20 0 "[ . 1 . 2]"
1 6 TRP 2.660 0.180 3 0 "[ . 1 . 2]"
1 7 HIS 1.837 0.110 14 0 "[ . 1 . 2]"
1 8 GLU 1.295 0.145 17 0 "[ . 1 . 2]"
1 9 HIS 2.136 0.097 4 0 "[ . 1 . 2]"
1 10 VAL 7.262 0.347 12 0 "[ . 1 . 2]"
1 11 THR 1.623 0.093 7 0 "[ . 1 . 2]"
1 12 GLN 1.371 0.140 1 0 "[ . 1 . 2]"
1 13 ASP 0.468 0.093 7 0 "[ . 1 . 2]"
1 14 LEU 12.440 0.159 8 0 "[ . 1 . 2]"
1 15 ARG 6.794 0.228 12 0 "[ . 1 . 2]"
1 16 SER 1.768 0.140 1 0 "[ . 1 . 2]"
1 17 HIS 4.419 0.150 13 0 "[ . 1 . 2]"
1 18 LEU 10.150 0.228 12 0 "[ . 1 . 2]"
1 19 VAL 9.514 0.273 1 0 "[ . 1 . 2]"
1 20 HIS 2.009 0.128 17 0 "[ . 1 . 2]"
1 21 LYS 6.918 0.211 12 0 "[ . 1 . 2]"
1 22 LEU 6.122 0.273 1 0 "[ . 1 . 2]"
1 23 VAL 9.363 0.152 16 0 "[ . 1 . 2]"
1 24 GLN 2.808 0.132 1 0 "[ . 1 . 2]"
1 25 ALA 6.054 0.192 14 0 "[ . 1 . 2]"
1 26 ILE 5.098 0.131 13 0 "[ . 1 . 2]"
1 27 PHE 7.617 0.253 7 0 "[ . 1 . 2]"
1 28 PRO 1.407 0.269 10 0 "[ . 1 . 2]"
1 29 THR 2.951 0.269 10 0 "[ . 1 . 2]"
1 30 PRO 1.014 0.101 10 0 "[ . 1 . 2]"
1 31 ASP 3.061 0.171 4 0 "[ . 1 . 2]"
1 32 PRO 2.455 0.126 18 0 "[ . 1 . 2]"
1 33 ALA 3.252 0.178 5 0 "[ . 1 . 2]"
1 34 ALA 2.031 0.104 3 0 "[ . 1 . 2]"
1 35 LEU 10.414 0.178 5 0 "[ . 1 . 2]"
1 36 LYS 2.299 0.157 8 0 "[ . 1 . 2]"
1 37 ASP 5.111 0.262 13 0 "[ . 1 . 2]"
1 38 ARG 6.853 0.262 13 0 "[ . 1 . 2]"
1 39 ARG 1.943 0.177 9 0 "[ . 1 . 2]"
1 40 MET 9.584 0.309 20 0 "[ . 1 . 2]"
1 41 GLU 5.021 0.221 1 0 "[ . 1 . 2]"
1 42 ASN 2.478 0.142 16 0 "[ . 1 . 2]"
1 43 LEU 5.398 0.309 20 0 "[ . 1 . 2]"
1 44 VAL 2.977 0.238 20 0 "[ . 1 . 2]"
1 45 ALA 5.766 0.221 1 0 "[ . 1 . 2]"
1 46 TYR 12.068 0.374 19 0 "[ . 1 . 2]"
1 47 ALA 0.412 0.068 1 0 "[ . 1 . 2]"
1 48 LYS 3.662 0.096 19 0 "[ . 1 . 2]"
1 49 LYS 7.884 0.289 6 0 "[ . 1 . 2]"
1 50 VAL 1.087 0.129 1 0 "[ . 1 . 2]"
1 51 GLU 6.766 0.173 6 0 "[ . 1 . 2]"
1 52 GLY 1.138 0.098 6 0 "[ . 1 . 2]"
1 53 ASP 2.853 0.098 6 0 "[ . 1 . 2]"
1 54 MET 6.725 0.147 8 0 "[ . 1 . 2]"
1 55 TYR 0.661 0.049 5 0 "[ . 1 . 2]"
1 56 GLU 2.197 0.180 3 0 "[ . 1 . 2]"
1 57 SER 2.734 0.136 19 0 "[ . 1 . 2]"
1 58 ALA 2.079 0.121 9 0 "[ . 1 . 2]"
1 59 ASN 3.549 0.123 12 0 "[ . 1 . 2]"
1 60 SER 3.321 0.166 5 0 "[ . 1 . 2]"
1 61 ARG 10.237 0.347 12 0 "[ . 1 . 2]"
1 62 ASP 1.047 0.081 20 0 "[ . 1 . 2]"
1 63 GLU 2.892 0.123 12 0 "[ . 1 . 2]"
1 64 TYR 6.601 0.210 11 0 "[ . 1 . 2]"
1 65 TYR 4.544 0.147 15 0 "[ . 1 . 2]"
1 66 HIS 2.048 0.121 9 0 "[ . 1 . 2]"
1 67 LEU 3.240 0.106 6 0 "[ . 1 . 2]"
1 68 LEU 6.465 0.147 8 0 "[ . 1 . 2]"
1 69 ALA 2.662 0.120 19 0 "[ . 1 . 2]"
1 70 GLU 3.486 0.170 11 0 "[ . 1 . 2]"
1 71 LYS 2.050 0.130 14 0 "[ . 1 . 2]"
1 72 ILE 15.126 0.233 4 0 "[ . 1 . 2]"
1 73 TYR 5.750 0.192 14 0 "[ . 1 . 2]"
1 74 LYS 2.759 0.106 5 0 "[ . 1 . 2]"
1 75 ILE 5.612 0.106 5 0 "[ . 1 . 2]"
1 76 GLN 7.423 0.152 17 0 "[ . 1 . 2]"
1 77 LYS 7.397 0.158 8 0 "[ . 1 . 2]"
1 78 GLU 2.120 0.117 6 0 "[ . 1 . 2]"
1 79 LEU 4.134 0.130 19 0 "[ . 1 . 2]"
1 80 GLU 0.785 0.156 15 0 "[ . 1 . 2]"
1 81 GLU 0.190 0.063 14 0 "[ . 1 . 2]"
1 82 LYS 2.116 0.122 8 0 "[ . 1 . 2]"
1 83 ARG 1.368 0.133 11 0 "[ . 1 . 2]"
1 84 ARG 1.459 0.169 10 0 "[ . 1 . 2]"
1 85 SER 2.232 0.288 19 0 "[ . 1 . 2]"
1 86 ARG 3.290 0.288 19 0 "[ . 1 . 2]"
1 87 LEU 1.080 0.093 15 0 "[ . 1 . 2]"
2 5 HIS 0.113 0.036 2 0 "[ . 1 . 2]"
2 6 TYR 1.053 0.142 7 0 "[ . 1 . 2]"
2 7 GLY 0.183 0.083 20 0 "[ . 1 . 2]"
2 8 ASN 2.332 0.272 9 0 "[ . 1 . 2]"
2 9 GLN 1.728 0.142 7 0 "[ . 1 . 2]"
2 10 THR 0.515 0.085 10 0 "[ . 1 . 2]"
2 11 LEU 0.940 0.187 10 0 "[ . 1 . 2]"
2 12 GLN 0.065 0.047 1 0 "[ . 1 . 2]"
2 13 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 14 LEU 3.917 0.253 7 0 "[ . 1 . 2]"
2 15 LEU 1.438 0.133 11 0 "[ . 1 . 2]"
2 16 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 17 SER 0.060 0.047 7 0 "[ . 1 . 2]"
2 18 ASP 0.224 0.066 13 0 "[ . 1 . 2]"
2 19 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 20 LEU 2.054 0.148 6 0 "[ . 1 . 2]"
2 21 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 22 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 23 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 37 LEU 1.217 0.092 2 0 "[ . 1 . 2]"
2 38 GLU 0.537 0.131 13 0 "[ . 1 . 2]"
2 39 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 40 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 41 MET 1.323 0.132 8 0 "[ . 1 . 2]"
2 42 GLU 0.829 0.132 8 0 "[ . 1 . 2]"
2 43 SER 0.497 0.107 16 0 "[ . 1 . 2]"
2 44 ILE 0.013 0.013 15 0 "[ . 1 . 2]"
2 45 ILE 0.367 0.094 15 0 "[ . 1 . 2]"
2 46 ARG 0.190 0.042 17 0 "[ . 1 . 2]"
2 47 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 48 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 49 LEU 0.452 0.111 1 0 "[ . 1 . 2]"
2 50 MET 4.078 0.233 4 0 "[ . 1 . 2]"
2 51 ASP 0.518 0.157 20 0 "[ . 1 . 2]"
2 52 ALA 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 1 GLY QA 1 2 VAL MG2 4.690 . 4.890 3.572 3.222 4.247 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLY QA 1 2 VAL MG1 4.690 . 4.890 4.187 3.390 5.061 0.171 14 0 "[ . 1 . 2]" 1
3 1 1 GLY QA 1 2 VAL HB 5.480 . 5.680 4.912 4.023 5.523 . 0 0 "[ . 1 . 2]" 1
4 1 1 GLY QA 1 3 ARG QD 5.500 . 5.700 5.337 3.901 5.780 0.080 3 0 "[ . 1 . 2]" 1
5 1 1 GLY QA 1 2 VAL HA 4.680 . 4.880 3.922 3.841 4.123 . 0 0 "[ . 1 . 2]" 1
6 1 1 GLY QA 1 2 VAL QG 3.850 . 4.050 3.257 3.144 3.497 . 0 0 "[ . 1 . 2]" 1
7 1 2 VAL HA 1 2 VAL MG2 3.300 . 3.500 2.889 2.369 3.252 . 0 0 "[ . 1 . 2]" 1
8 1 2 VAL HB 1 3 ARG HA 4.800 . 5.000 4.723 4.261 5.045 0.045 1 0 "[ . 1 . 2]" 1
9 1 2 VAL QG 1 4 LYS QE 3.670 . 3.870 2.616 1.975 3.749 . 0 0 "[ . 1 . 2]" 1
10 1 2 VAL QG 1 4 LYS QD 3.650 . 3.850 3.306 2.291 3.939 0.089 1 0 "[ . 1 . 2]" 1
11 1 2 VAL MG1 1 3 ARG QD 5.500 . 5.700 4.419 3.042 5.787 0.087 18 0 "[ . 1 . 2]" 1
12 1 2 VAL HB 1 4 LYS QE 4.980 . 5.180 2.895 1.916 4.152 . 0 0 "[ . 1 . 2]" 1
13 1 2 VAL QG 1 4 LYS QG 3.460 . 3.660 2.741 2.080 3.686 0.026 10 0 "[ . 1 . 2]" 1
14 1 2 VAL H 1 3 ARG HA 5.500 . 5.700 4.955 4.406 5.312 . 0 0 "[ . 1 . 2]" 1
15 1 2 VAL HA 1 3 ARG QD 4.240 . 4.440 3.458 2.929 4.510 0.070 18 0 "[ . 1 . 2]" 1
16 1 2 VAL QG 1 3 ARG HA 3.970 . 4.170 3.937 3.484 4.201 0.031 2 0 "[ . 1 . 2]" 1
17 1 2 VAL HA 1 2 VAL QG 2.780 . 2.980 2.224 2.128 2.336 . 0 0 "[ . 1 . 2]" 1
18 1 2 VAL HB 1 3 ARG H 3.900 . 4.100 3.486 2.094 4.206 0.106 11 0 "[ . 1 . 2]" 1
19 1 2 VAL HA 1 3 ARG QB 4.590 . 4.790 4.282 3.789 4.539 . 0 0 "[ . 1 . 2]" 1
20 1 2 VAL QG 1 56 GLU HA 5.440 . 5.640 4.084 2.056 5.601 . 0 0 "[ . 1 . 2]" 1
21 1 2 VAL HA 1 3 ARG H 2.560 . 2.760 2.142 1.963 2.473 . 0 0 "[ . 1 . 2]" 1
22 1 2 VAL HA 1 2 VAL MG1 3.300 . 3.500 2.353 2.226 2.496 . 0 0 "[ . 1 . 2]" 1
23 1 2 VAL MG2 1 3 ARG QD 5.500 . 5.700 5.050 4.353 5.764 0.064 17 0 "[ . 1 . 2]" 1
24 1 2 VAL QG 1 3 ARG H 3.300 . 3.500 3.106 2.511 3.545 0.045 16 0 "[ . 1 . 2]" 1
25 1 3 ARG QG 1 4 LYS HA 4.750 . 4.950 4.401 3.496 5.175 0.225 1 0 "[ . 1 . 2]" 1
26 1 3 ARG HA 1 4 LYS H 2.870 . 3.070 2.085 1.950 2.653 . 0 0 "[ . 1 . 2]" 1
27 1 3 ARG H 1 3 ARG QG 4.280 . 4.480 3.298 2.495 4.123 . 0 0 "[ . 1 . 2]" 1
28 1 3 ARG H 1 4 LYS QE 5.350 . 5.550 4.827 3.668 5.696 0.146 14 0 "[ . 1 . 2]" 1
29 1 3 ARG HA 1 4 LYS QE 5.500 . 5.700 5.224 4.378 5.821 0.121 3 0 "[ . 1 . 2]" 1
30 1 3 ARG QB 1 3 ARG QD 2.950 . 3.150 2.442 2.252 2.828 . 0 0 "[ . 1 . 2]" 1
31 1 3 ARG QB 1 4 LYS H 4.080 . 4.280 3.535 2.860 3.998 . 0 0 "[ . 1 . 2]" 1
32 1 3 ARG QD 1 4 LYS H 5.320 . 5.520 4.678 3.324 5.424 . 0 0 "[ . 1 . 2]" 1
33 1 3 ARG H 1 4 LYS H 3.990 . 4.190 4.021 2.920 4.306 0.116 8 0 "[ . 1 . 2]" 1
34 1 3 ARG H 1 3 ARG QD 5.110 . 5.310 2.184 1.722 3.890 0.078 3 0 "[ . 1 . 2]" 1
35 1 3 ARG HA 1 3 ARG QD 3.740 . 3.940 3.363 1.821 3.966 0.026 11 0 "[ . 1 . 2]" 1
36 1 3 ARG H 1 3 ARG QB 2.600 . 2.800 2.672 2.207 2.913 0.113 16 0 "[ . 1 . 2]" 1
37 1 3 ARG QB 1 4 LYS HA 4.790 . 4.990 4.470 3.745 4.866 . 0 0 "[ . 1 . 2]" 1
38 1 3 ARG QG 1 4 LYS H 4.410 . 4.610 4.138 3.266 4.520 . 0 0 "[ . 1 . 2]" 1
39 1 3 ARG HA 1 3 ARG QG 3.560 . 3.760 3.254 2.201 3.608 . 0 0 "[ . 1 . 2]" 1
40 1 3 ARG HA 1 4 LYS QG 4.700 . 4.900 3.615 2.997 4.102 . 0 0 "[ . 1 . 2]" 1
41 1 4 LYS HB2 1 4 LYS QD 3.430 . 3.630 2.428 2.287 2.638 . 0 0 "[ . 1 . 2]" 1
42 1 4 LYS QD 1 56 GLU HA 3.830 . 4.030 2.974 2.413 3.694 . 0 0 "[ . 1 . 2]" 1
43 1 4 LYS QD 1 6 TRP HE1 3.840 . 4.040 1.840 1.722 2.018 0.078 14 0 "[ . 1 . 2]" 1
44 1 4 LYS HB3 1 6 TRP HE1 4.470 . 4.670 2.734 2.189 3.158 . 0 0 "[ . 1 . 2]" 1
45 1 4 LYS HB2 1 6 TRP HE1 3.810 . 4.010 2.521 2.059 3.177 . 0 0 "[ . 1 . 2]" 1
46 1 4 LYS HA 1 6 TRP HD1 4.870 . 5.070 4.036 3.511 4.577 . 0 0 "[ . 1 . 2]" 1
47 1 4 LYS HA 1 6 TRP HE1 4.490 . 4.690 4.595 4.288 4.731 0.041 14 0 "[ . 1 . 2]" 1
48 1 4 LYS HD2 1 6 TRP HZ2 5.110 . 5.310 2.847 2.477 3.303 . 0 0 "[ . 1 . 2]" 1
49 1 4 LYS H 1 4 LYS HB3 3.750 . 3.950 3.568 2.961 3.836 . 0 0 "[ . 1 . 2]" 1
50 1 4 LYS HD2 1 56 GLU HA 4.380 . 4.580 3.073 2.432 4.427 . 0 0 "[ . 1 . 2]" 1
51 1 4 LYS QE 1 6 TRP HZ2 5.350 . 5.550 3.939 2.056 4.740 . 0 0 "[ . 1 . 2]" 1
52 1 4 LYS HB3 1 6 TRP H 4.740 . 4.940 4.083 3.115 4.870 . 0 0 "[ . 1 . 2]" 1
53 1 4 LYS HD3 1 6 TRP HD1 5.500 . 5.700 4.129 3.801 5.545 . 0 0 "[ . 1 . 2]" 1
54 1 4 LYS HD3 1 56 GLU HA 4.380 . 4.580 4.226 3.890 4.673 0.093 3 0 "[ . 1 . 2]" 1
55 1 4 LYS HB2 1 5 GLY QA 5.340 . 5.540 4.822 4.640 4.997 . 0 0 "[ . 1 . 2]" 1
56 1 4 LYS HD3 1 59 ASN HA 5.000 . 5.200 3.433 2.768 4.448 . 0 0 "[ . 1 . 2]" 1
57 1 4 LYS HB3 1 7 HIS H 5.500 . 5.700 5.188 4.213 5.799 0.099 19 0 "[ . 1 . 2]" 1
58 1 4 LYS QE 1 59 ASN HA 5.310 . 5.510 4.149 3.582 4.586 . 0 0 "[ . 1 . 2]" 1
59 1 4 LYS QD 1 6 TRP HD1 4.770 . 4.970 3.932 3.668 4.062 . 0 0 "[ . 1 . 2]" 1
60 1 4 LYS QE 1 56 GLU HA 4.440 . 4.640 3.378 2.176 4.287 . 0 0 "[ . 1 . 2]" 1
61 1 4 LYS QD 1 7 HIS H 5.340 . 5.540 5.244 4.951 5.650 0.110 14 0 "[ . 1 . 2]" 1
62 1 4 LYS HD2 1 59 ASN HA 5.000 . 5.200 4.843 3.169 5.272 0.072 4 0 "[ . 1 . 2]" 1
63 1 4 LYS HA 1 4 LYS HG3 3.940 . 4.140 3.579 2.964 3.929 . 0 0 "[ . 1 . 2]" 1
64 1 4 LYS HB2 1 59 ASN HA 4.930 . 5.130 4.600 3.947 5.214 0.084 17 0 "[ . 1 . 2]" 1
65 1 4 LYS HB2 1 4 LYS QE 3.960 . 4.160 3.392 1.925 4.134 . 0 0 "[ . 1 . 2]" 1
66 1 4 LYS QE 1 6 TRP HD1 5.500 . 5.700 5.140 4.539 5.765 0.065 17 0 "[ . 1 . 2]" 1
67 1 4 LYS HB2 1 6 TRP H 4.340 . 4.540 3.399 2.917 3.890 . 0 0 "[ . 1 . 2]" 1
68 1 4 LYS HB2 1 7 HIS H 4.620 . 4.820 3.990 3.576 4.292 . 0 0 "[ . 1 . 2]" 1
69 1 4 LYS HB3 1 59 ASN QB 5.180 . 5.380 5.378 5.240 5.474 0.094 13 0 "[ . 1 . 2]" 1
70 1 4 LYS QD 1 59 ASN HA 3.880 . 4.080 3.313 2.731 3.668 . 0 0 "[ . 1 . 2]" 1
71 1 4 LYS QG 1 7 HIS H 5.190 . 5.390 4.483 3.611 5.497 0.107 3 0 "[ . 1 . 2]" 1
72 1 4 LYS H 1 4 LYS HG3 3.750 . 3.950 2.857 1.939 3.403 . 0 0 "[ . 1 . 2]" 1
73 1 4 LYS H 1 4 LYS QE 4.660 . 4.860 4.415 3.325 4.931 0.071 20 0 "[ . 1 . 2]" 1
74 1 4 LYS H 1 4 LYS HG2 3.750 . 3.950 2.953 2.071 3.964 0.014 14 0 "[ . 1 . 2]" 1
75 1 4 LYS QG 1 5 GLY QA 5.180 . 5.380 5.053 4.626 5.416 0.036 20 0 "[ . 1 . 2]" 1
76 1 4 LYS HB2 1 5 GLY H 4.680 . 4.880 3.926 3.624 4.286 . 0 0 "[ . 1 . 2]" 1
77 1 4 LYS HG2 1 6 TRP HZ2 5.500 . 5.700 5.134 4.774 5.707 0.007 20 0 "[ . 1 . 2]" 1
78 1 4 LYS QE 1 57 SER H 5.500 . 5.700 5.515 4.515 5.836 0.136 19 0 "[ . 1 . 2]" 1
79 1 4 LYS QE 1 4 LYS HG3 3.650 . 3.850 3.049 2.402 3.508 . 0 0 "[ . 1 . 2]" 1
80 1 4 LYS QE 1 56 GLU QG 5.340 . 5.540 4.860 4.108 5.545 0.005 19 0 "[ . 1 . 2]" 1
81 1 4 LYS HB3 1 4 LYS QE 4.920 . 5.120 2.731 1.888 4.048 . 0 0 "[ . 1 . 2]" 1
82 1 4 LYS HA 1 4 LYS QE 4.800 . 5.000 4.339 3.974 4.927 . 0 0 "[ . 1 . 2]" 1
83 1 4 LYS H 1 4 LYS QD 4.740 . 4.940 4.295 3.746 4.686 . 0 0 "[ . 1 . 2]" 1
84 1 4 LYS HB2 1 6 TRP HD1 4.670 . 4.870 2.988 2.253 4.108 . 0 0 "[ . 1 . 2]" 1
85 1 4 LYS HA 1 5 GLY QA 4.600 . 4.800 3.851 3.768 3.887 . 0 0 "[ . 1 . 2]" 1
86 1 4 LYS QD 1 56 GLU QB 4.740 . 4.940 4.466 3.788 4.957 0.017 4 0 "[ . 1 . 2]" 1
87 1 4 LYS HG3 1 6 TRP HZ2 5.500 . 5.700 4.486 3.780 5.223 . 0 0 "[ . 1 . 2]" 1
88 1 4 LYS HD2 1 6 TRP HD1 5.500 . 5.700 5.323 3.926 5.733 0.033 12 0 "[ . 1 . 2]" 1
89 1 4 LYS QD 1 6 TRP HZ2 4.470 . 4.670 2.364 2.067 2.980 . 0 0 "[ . 1 . 2]" 1
90 1 4 LYS HD3 1 6 TRP HZ2 5.110 . 5.310 2.669 2.138 4.161 . 0 0 "[ . 1 . 2]" 1
91 1 4 LYS QE 1 4 LYS HG2 3.650 . 3.850 2.437 2.133 3.420 . 0 0 "[ . 1 . 2]" 1
92 1 4 LYS QG 1 6 TRP HZ2 4.730 . 4.930 4.197 3.644 4.836 . 0 0 "[ . 1 . 2]" 1
93 1 4 LYS QG 1 6 TRP HD1 5.270 . 5.470 4.369 4.201 4.599 . 0 0 "[ . 1 . 2]" 1
94 1 4 LYS HA 1 4 LYS HG2 3.940 . 4.140 3.257 2.462 3.723 . 0 0 "[ . 1 . 2]" 1
95 1 5 GLY QA 1 8 GLU H 5.060 . 5.260 3.955 3.571 4.121 . 0 0 "[ . 1 . 2]" 1
96 1 5 GLY HA3 1 8 GLU QG 4.960 . 5.160 4.671 4.233 5.167 0.007 18 0 "[ . 1 . 2]" 1
97 1 5 GLY H 1 6 TRP H 4.280 . 4.480 2.817 2.542 3.010 . 0 0 "[ . 1 . 2]" 1
98 1 5 GLY HA2 1 8 GLU QG 4.960 . 5.160 3.745 3.275 4.330 . 0 0 "[ . 1 . 2]" 1
99 1 5 GLY QA 1 7 HIS H 4.320 . 4.520 3.318 3.124 3.480 . 0 0 "[ . 1 . 2]" 1
100 1 5 GLY QA 1 7 HIS QB 5.180 . 5.380 4.687 4.359 5.207 . 0 0 "[ . 1 . 2]" 1
101 1 6 TRP HE1 1 60 SER HA 4.860 . 5.060 4.196 3.821 4.465 . 0 0 "[ . 1 . 2]" 1
102 1 6 TRP HE3 1 61 ARG HA 4.630 . 4.830 3.585 3.403 3.780 . 0 0 "[ . 1 . 2]" 1
103 1 6 TRP HA 1 61 ARG H 5.330 . 5.530 5.333 4.789 5.600 0.070 13 0 "[ . 1 . 2]" 1
104 1 6 TRP HB2 1 61 ARG H 4.240 . 4.440 2.967 2.362 3.341 . 0 0 "[ . 1 . 2]" 1
105 1 6 TRP HZ3 1 61 ARG HA 4.840 . 5.040 2.808 2.545 3.461 . 0 0 "[ . 1 . 2]" 1
106 1 6 TRP HA 1 8 GLU H 4.170 . 4.370 3.444 3.295 3.632 . 0 0 "[ . 1 . 2]" 1
107 1 6 TRP HZ3 1 10 VAL QG . . 3.560 1.965 1.878 2.091 . 0 0 "[ . 1 . 2]" 1
108 1 6 TRP HE1 1 60 SER H 4.260 . 4.460 4.064 3.785 4.272 . 0 0 "[ . 1 . 2]" 1
109 1 6 TRP HE3 1 10 VAL QG . . 3.750 2.409 2.080 2.685 . 0 0 "[ . 1 . 2]" 1
110 1 6 TRP HZ3 1 64 TYR HB3 4.980 . 5.180 4.038 3.778 4.578 . 0 0 "[ . 1 . 2]" 1
111 1 6 TRP HE3 1 10 VAL HB 5.290 . 5.490 3.650 2.956 5.042 . 0 0 "[ . 1 . 2]" 1
112 1 6 TRP H 1 7 HIS QB 4.850 . 5.050 4.739 4.441 4.987 . 0 0 "[ . 1 . 2]" 1
113 1 6 TRP HE3 1 61 ARG HB3 4.700 . 4.900 2.415 2.056 3.086 . 0 0 "[ . 1 . 2]" 1
114 1 6 TRP HZ3 1 10 VAL HB 5.000 . 5.120 3.629 3.066 4.475 . 0 0 "[ . 1 . 2]" 1
115 1 6 TRP HZ3 1 55 TYR HA 4.820 . 5.020 4.307 4.095 4.556 . 0 0 "[ . 1 . 2]" 1
116 1 6 TRP HZ2 1 55 TYR HA 4.550 . 4.750 4.076 3.706 4.495 . 0 0 "[ . 1 . 2]" 1
117 1 6 TRP HZ3 1 58 ALA MB 5.030 . 5.230 4.741 4.369 5.240 0.010 3 0 "[ . 1 . 2]" 1
118 1 6 TRP HD1 1 60 SER HA 4.240 . 4.440 3.685 2.928 4.081 . 0 0 "[ . 1 . 2]" 1
119 1 6 TRP HA 1 9 HIS H 4.480 . 4.680 3.444 3.189 3.609 . 0 0 "[ . 1 . 2]" 1
120 1 6 TRP HB2 1 61 ARG HD2 5.500 . 5.700 3.010 2.538 3.516 . 0 0 "[ . 1 . 2]" 1
121 1 6 TRP HZ2 1 56 GLU QG 5.340 . 5.540 5.584 5.498 5.720 0.180 3 0 "[ . 1 . 2]" 1
122 1 6 TRP HB2 1 61 ARG HA 5.500 . 5.700 5.226 4.633 5.661 . 0 0 "[ . 1 . 2]" 1
123 1 6 TRP HE3 1 61 ARG HB2 5.000 . 5.200 4.083 3.674 4.645 . 0 0 "[ . 1 . 2]" 1
124 1 6 TRP HA 1 9 HIS HB3 5.000 . 5.200 4.710 4.275 5.215 0.015 9 0 "[ . 1 . 2]" 1
125 1 6 TRP HA 1 9 HIS HD2 3.900 . 4.100 2.236 1.891 3.567 . 0 0 "[ . 1 . 2]" 1
126 1 6 TRP HZ2 1 56 GLU HA 4.050 . 4.250 3.723 3.197 4.031 . 0 0 "[ . 1 . 2]" 1
127 1 6 TRP HE3 1 7 HIS HA 5.070 . 5.270 3.033 2.732 3.456 . 0 0 "[ . 1 . 2]" 1
128 1 6 TRP HB2 1 60 SER HA 4.490 . 4.690 2.822 2.573 3.002 . 0 0 "[ . 1 . 2]" 1
129 1 6 TRP HE1 1 60 SER QB 5.500 . 5.700 5.461 5.164 5.776 0.076 17 0 "[ . 1 . 2]" 1
130 1 6 TRP HD1 1 60 SER H 5.410 . 5.610 5.000 4.402 5.280 . 0 0 "[ . 1 . 2]" 1
131 1 6 TRP HZ3 1 64 TYR HB2 5.500 . 5.700 5.047 4.790 5.442 . 0 0 "[ . 1 . 2]" 1
132 1 6 TRP HE3 1 61 ARG HG2 5.210 . 5.410 4.983 4.741 5.253 . 0 0 "[ . 1 . 2]" 1
133 1 6 TRP HB2 1 61 ARG QD 4.820 . 5.020 2.916 2.495 3.365 . 0 0 "[ . 1 . 2]" 1
134 1 6 TRP HB2 1 61 ARG HD3 5.500 . 5.700 3.935 3.509 4.595 . 0 0 "[ . 1 . 2]" 1
135 1 6 TRP HD1 1 59 ASN HA 4.280 . 4.480 3.691 3.444 3.809 . 0 0 "[ . 1 . 2]" 1
136 1 6 TRP H 1 6 TRP HE1 4.670 . 4.870 4.466 4.245 4.585 . 0 0 "[ . 1 . 2]" 1
137 1 6 TRP HZ2 1 58 ALA MB 3.740 . 3.940 3.111 2.673 3.438 . 0 0 "[ . 1 . 2]" 1
138 1 6 TRP HD1 1 60 SER QB 5.300 . 5.500 4.797 4.201 5.503 0.003 17 0 "[ . 1 . 2]" 1
139 1 6 TRP HB3 1 59 ASN HA 5.500 . 5.700 5.705 5.424 5.760 0.060 8 0 "[ . 1 . 2]" 1
140 1 6 TRP HE1 1 59 ASN HA 3.290 . 3.490 2.307 2.081 2.695 . 0 0 "[ . 1 . 2]" 1
141 1 6 TRP H 1 7 HIS HB3 5.000 . 5.200 4.910 4.574 5.215 0.015 16 0 "[ . 1 . 2]" 1
142 1 6 TRP H 1 7 HIS HD2 5.500 . 5.700 4.268 3.675 5.500 . 0 0 "[ . 1 . 2]" 1
143 1 6 TRP HZ3 1 7 HIS HA 5.050 . 5.250 3.725 3.424 4.196 . 0 0 "[ . 1 . 2]" 1
144 1 6 TRP H 1 6 TRP HB2 3.740 . 3.940 3.642 3.618 3.670 . 0 0 "[ . 1 . 2]" 1
145 1 6 TRP H 1 6 TRP HD1 3.230 . 3.430 2.608 2.477 2.800 . 0 0 "[ . 1 . 2]" 1
146 1 6 TRP HB2 1 7 HIS HA 5.220 . 5.420 4.723 4.566 4.841 . 0 0 "[ . 1 . 2]" 1
147 1 6 TRP H 1 6 TRP HB3 3.260 . 3.460 2.675 2.579 2.762 . 0 0 "[ . 1 . 2]" 1
148 1 6 TRP HB3 1 60 SER HA 4.180 . 4.380 3.218 2.640 3.657 . 0 0 "[ . 1 . 2]" 1
149 1 6 TRP HE1 1 59 ASN QB 4.870 . 5.070 4.076 3.783 4.569 . 0 0 "[ . 1 . 2]" 1
150 1 6 TRP HA 1 6 TRP HD1 4.810 . 5.010 4.460 4.371 4.559 . 0 0 "[ . 1 . 2]" 1
151 1 6 TRP HB3 1 7 HIS H 4.760 . 4.960 4.344 4.229 4.463 . 0 0 "[ . 1 . 2]" 1
152 1 6 TRP HZ2 1 58 ALA HA 5.500 . 5.700 5.044 4.726 5.414 . 0 0 "[ . 1 . 2]" 1
153 1 6 TRP HA 1 8 GLU QB 4.890 . 5.090 4.409 4.004 5.235 0.145 17 0 "[ . 1 . 2]" 1
154 1 6 TRP H 1 9 HIS H 5.500 . 5.700 5.550 5.371 5.683 . 0 0 "[ . 1 . 2]" 1
155 1 6 TRP HB3 1 6 TRP HE1 4.920 . 5.120 4.717 4.678 4.762 . 0 0 "[ . 1 . 2]" 1
156 1 6 TRP H 1 7 HIS H 3.580 . 3.780 2.651 2.487 2.794 . 0 0 "[ . 1 . 2]" 1
157 1 7 HIS HA 1 10 VAL H 3.960 . 4.160 3.795 3.559 3.970 . 0 0 "[ . 1 . 2]" 1
158 1 6 TRP HA 1 7 HIS H 5.000 . 5.200 3.357 3.262 3.438 . 0 0 "[ . 1 . 2]" 1
159 1 7 HIS HA 1 9 HIS HB2 5.500 . 5.700 4.883 4.581 5.252 . 0 0 "[ . 1 . 2]" 1
160 1 7 HIS QB 1 8 GLU H 3.890 . 4.090 3.736 3.636 3.869 . 0 0 "[ . 1 . 2]" 1
161 1 7 HIS H 1 8 GLU H 3.340 . 3.540 2.724 2.626 2.868 . 0 0 "[ . 1 . 2]" 1
162 1 7 HIS HA 1 9 HIS H 4.620 . 4.820 3.516 3.319 3.694 . 0 0 "[ . 1 . 2]" 1
163 1 7 HIS H 1 7 HIS HD2 5.100 . 5.300 2.608 2.146 3.709 . 0 0 "[ . 1 . 2]" 1
164 1 7 HIS H 1 8 GLU QB 5.500 . 5.700 4.815 4.692 4.952 . 0 0 "[ . 1 . 2]" 1
165 1 7 HIS H 1 8 GLU QG 4.580 . 4.780 4.077 3.609 4.318 . 0 0 "[ . 1 . 2]" 1
166 1 7 HIS QB 1 10 VAL QG 4.300 . 4.500 3.249 2.925 3.550 . 0 0 "[ . 1 . 2]" 1
167 1 7 HIS HA 1 10 VAL QG . . 3.950 1.999 1.864 2.185 . 0 0 "[ . 1 . 2]" 1
168 1 7 HIS QB 1 10 VAL H 5.260 . 5.460 4.978 4.777 5.122 . 0 0 "[ . 1 . 2]" 1
169 1 7 HIS HA 1 10 VAL HB 4.000 . 4.200 4.223 3.932 4.296 0.096 18 0 "[ . 1 . 2]" 1
170 1 7 HIS HA 1 55 TYR QE 4.570 . 4.770 3.757 2.747 4.163 . 0 0 "[ . 1 . 2]" 1
171 1 7 HIS QB 1 9 HIS H 5.050 . 5.250 4.750 4.642 4.930 . 0 0 "[ . 1 . 2]" 1
172 1 7 HIS H 1 7 HIS QB 3.110 . 3.310 2.532 2.390 2.788 . 0 0 "[ . 1 . 2]" 1
173 1 8 GLU H 1 8 GLU QG 3.290 . 3.490 2.234 1.972 2.444 . 0 0 "[ . 1 . 2]" 1
174 1 8 GLU H 1 8 GLU QB 2.990 . 3.190 2.458 2.383 2.657 . 0 0 "[ . 1 . 2]" 1
175 1 8 GLU HA 1 8 GLU QG 3.020 . 3.220 2.663 2.360 3.306 0.086 17 0 "[ . 1 . 2]" 1
176 1 8 GLU HB3 1 9 HIS HD2 4.660 . 4.860 4.373 3.682 4.872 0.012 17 0 "[ . 1 . 2]" 1
177 1 8 GLU H 1 10 VAL QG 4.610 . 4.810 4.032 3.910 4.187 . 0 0 "[ . 1 . 2]" 1
178 1 8 GLU HB2 1 9 HIS HD2 4.660 . 4.860 3.067 2.371 4.748 . 0 0 "[ . 1 . 2]" 1
179 1 8 GLU QG 1 9 HIS HD2 4.820 . 5.020 3.935 2.085 4.567 . 0 0 "[ . 1 . 2]" 1
180 1 8 GLU HA 1 9 HIS HA 5.030 . 5.230 4.605 4.504 4.748 . 0 0 "[ . 1 . 2]" 1
181 1 8 GLU HA 1 10 VAL H 4.150 . 4.350 3.566 3.266 3.780 . 0 0 "[ . 1 . 2]" 1
182 1 7 HIS HA 1 8 GLU H 4.500 . 4.700 3.393 3.262 3.463 . 0 0 "[ . 1 . 2]" 1
183 1 8 GLU QG 1 9 HIS HA 5.500 . 5.700 5.419 3.331 5.797 0.097 4 0 "[ . 1 . 2]" 1
184 1 8 GLU QG 1 9 HIS H 4.360 . 4.560 3.969 2.807 4.284 . 0 0 "[ . 1 . 2]" 1
185 1 8 GLU H 1 9 HIS HA 5.330 . 5.530 4.959 4.840 5.055 . 0 0 "[ . 1 . 2]" 1
186 1 8 GLU HA 1 10 VAL QG 4.510 . 4.710 4.347 4.100 4.598 . 0 0 "[ . 1 . 2]" 1
187 1 8 GLU H 1 9 HIS H 3.440 . 3.640 2.397 2.279 2.525 . 0 0 "[ . 1 . 2]" 1
188 1 8 GLU QB 1 10 VAL H 4.820 . 5.020 4.571 4.422 4.840 . 0 0 "[ . 1 . 2]" 1
189 1 8 GLU QB 1 9 HIS H 3.870 . 4.070 3.260 2.813 3.820 . 0 0 "[ . 1 . 2]" 1
190 1 8 GLU QB 1 9 HIS HA 5.030 . 5.230 4.093 3.877 4.587 . 0 0 "[ . 1 . 2]" 1
191 1 8 GLU HA 1 9 HIS HD2 5.260 . 5.460 4.941 4.543 5.411 . 0 0 "[ . 1 . 2]" 1
192 1 9 HIS HD2 1 10 VAL H 5.440 . 5.640 5.000 4.593 5.472 . 0 0 "[ . 1 . 2]" 1
193 1 9 HIS HB3 1 61 ARG HG3 3.570 . 3.770 3.833 3.772 3.866 0.096 4 0 "[ . 1 . 2]" 1
194 1 9 HIS HB2 1 61 ARG HD3 5.000 . 5.200 4.132 3.885 4.397 . 0 0 "[ . 1 . 2]" 1
195 1 9 HIS HB2 1 10 VAL QG 4.410 . 4.610 3.643 3.034 4.303 . 0 0 "[ . 1 . 2]" 1
196 1 9 HIS HB2 1 61 ARG HD2 5.000 . 5.200 2.676 2.386 3.041 . 0 0 "[ . 1 . 2]" 1
197 1 9 HIS HA 1 10 VAL QG 4.810 . 5.010 4.467 4.133 4.576 . 0 0 "[ . 1 . 2]" 1
198 1 9 HIS H 1 9 HIS HB2 3.740 . 3.940 2.395 2.322 2.534 . 0 0 "[ . 1 . 2]" 1
199 1 9 HIS HA 1 61 ARG HG3 5.250 . 5.450 5.223 5.016 5.422 . 0 0 "[ . 1 . 2]" 1
200 1 9 HIS H 1 9 HIS HD2 4.130 . 4.330 2.765 2.267 3.204 . 0 0 "[ . 1 . 2]" 1
201 1 8 GLU HA 1 9 HIS H 4.500 . 4.700 3.317 3.213 3.441 . 0 0 "[ . 1 . 2]" 1
202 1 9 HIS HB3 1 10 VAL HA 4.800 . 5.000 4.722 4.529 4.851 . 0 0 "[ . 1 . 2]" 1
203 1 9 HIS HB2 1 10 VAL H 4.020 . 4.220 3.660 3.371 3.968 . 0 0 "[ . 1 . 2]" 1
204 1 9 HIS H 1 10 VAL HB 5.500 . 5.700 4.558 4.251 5.167 . 0 0 "[ . 1 . 2]" 1
205 1 9 HIS HA 1 10 VAL H 3.450 . 3.650 3.138 2.994 3.278 . 0 0 "[ . 1 . 2]" 1
206 1 9 HIS H 1 10 VAL QG 4.230 . 4.430 3.004 2.844 3.323 . 0 0 "[ . 1 . 2]" 1
207 1 9 HIS H 1 9 HIS HB3 3.630 . 3.830 3.629 3.584 3.702 . 0 0 "[ . 1 . 2]" 1
208 1 9 HIS HA 1 10 VAL HA 5.200 . 5.400 4.450 4.320 4.555 . 0 0 "[ . 1 . 2]" 1
209 1 9 HIS HB3 1 10 VAL H 4.310 . 4.510 4.251 4.136 4.380 . 0 0 "[ . 1 . 2]" 1
210 1 9 HIS HB3 1 10 VAL QG 5.010 . 5.210 4.435 3.703 4.767 . 0 0 "[ . 1 . 2]" 1
211 1 10 VAL QG 1 15 ARG QG 4.460 . 4.660 3.431 3.279 3.580 . 0 0 "[ . 1 . 2]" 1
212 1 10 VAL QG 1 15 ARG HB3 4.270 . 4.470 2.846 2.526 4.477 0.007 12 0 "[ . 1 . 2]" 1
213 1 10 VAL QG 1 55 TYR QD . . 4.050 3.110 2.821 3.345 . 0 0 "[ . 1 . 2]" 1
214 1 10 VAL QG 1 55 TYR HB2 5.370 . 5.570 4.963 4.688 5.204 . 0 0 "[ . 1 . 2]" 1
215 1 10 VAL HB 1 15 ARG HB3 5.500 . 5.700 5.335 3.743 5.781 0.081 1 0 "[ . 1 . 2]" 1
216 1 10 VAL QG 1 11 THR HA 5.090 . 5.290 3.969 3.568 4.422 . 0 0 "[ . 1 . 2]" 1
217 1 10 VAL QG 1 61 ARG HD2 5.000 . 5.200 3.350 2.225 3.748 . 0 0 "[ . 1 . 2]" 1
218 1 10 VAL QG 1 15 ARG QD 3.560 . 3.760 2.567 2.031 2.914 . 0 0 "[ . 1 . 2]" 1
219 1 10 VAL HA 1 14 LEU MD1 5.000 . 5.200 3.939 3.353 4.196 . 0 0 "[ . 1 . 2]" 1
220 1 10 VAL H 1 10 VAL QG 3.010 . 3.210 2.264 2.108 2.413 . 0 0 "[ . 1 . 2]" 1
221 1 10 VAL QG 1 14 LEU QD 3.100 . 3.300 1.923 1.823 2.061 . 0 0 "[ . 1 . 2]" 1
222 1 10 VAL QG 1 55 TYR QE . . 3.750 1.969 1.827 2.312 . 0 0 "[ . 1 . 2]" 1
223 1 10 VAL QG 1 61 ARG HB2 3.560 . 3.760 2.350 2.066 2.523 . 0 0 "[ . 1 . 2]" 1
224 1 10 VAL HB 1 61 ARG HG3 4.420 . 4.620 2.895 2.073 4.666 0.046 12 0 "[ . 1 . 2]" 1
225 1 10 VAL QG 1 61 ARG HG3 4.330 . 4.530 2.864 2.199 3.294 . 0 0 "[ . 1 . 2]" 1
226 1 10 VAL HA 1 11 THR H 2.850 . 3.050 2.129 2.029 2.361 . 0 0 "[ . 1 . 2]" 1
227 1 10 VAL HB 1 55 TYR QE 4.000 . 4.200 3.778 2.432 4.210 0.010 9 0 "[ . 1 . 2]" 1
228 1 10 VAL QG 1 61 ARG HD3 5.000 . 5.200 4.381 3.512 4.650 . 0 0 "[ . 1 . 2]" 1
229 1 10 VAL HA 1 14 LEU HB2 4.890 . 5.090 4.254 3.567 4.557 . 0 0 "[ . 1 . 2]" 1
230 1 10 VAL HA 1 10 VAL QG . . 3.130 2.305 2.167 2.356 . 0 0 "[ . 1 . 2]" 1
231 1 10 VAL HA 1 14 LEU H 5.500 . 5.700 5.448 4.766 5.609 . 0 0 "[ . 1 . 2]" 1
232 1 10 VAL QG 1 65 TYR QB 5.440 . 5.640 4.332 4.006 4.548 . 0 0 "[ . 1 . 2]" 1
233 1 10 VAL HB 1 61 ARG HA 5.450 . 5.650 4.593 4.110 5.704 0.054 13 0 "[ . 1 . 2]" 1
234 1 10 VAL QG 1 61 ARG HG2 4.780 . 4.980 3.730 3.206 4.111 . 0 0 "[ . 1 . 2]" 1
235 1 10 VAL QG 1 15 ARG HA 4.270 . 4.470 3.875 3.489 4.104 . 0 0 "[ . 1 . 2]" 1
236 1 10 VAL QG 1 15 ARG H 4.010 . 4.210 3.185 2.793 3.595 . 0 0 "[ . 1 . 2]" 1
237 1 10 VAL H 1 10 VAL HB 3.410 . 3.610 3.219 3.018 3.319 . 0 0 "[ . 1 . 2]" 1
238 1 10 VAL QG 1 55 TYR HA 5.440 . 5.640 4.882 4.642 5.132 . 0 0 "[ . 1 . 2]" 1
239 1 10 VAL HA 1 14 LEU MD2 5.000 . 5.200 5.245 5.033 5.349 0.149 19 0 "[ . 1 . 2]" 1
240 1 10 VAL HA 1 14 LEU HG 4.400 . 4.600 3.891 3.761 4.046 . 0 0 "[ . 1 . 2]" 1
241 1 10 VAL QG 1 11 THR H 3.440 . 3.640 2.908 2.176 3.243 . 0 0 "[ . 1 . 2]" 1
242 1 10 VAL QG 1 61 ARG HA 3.400 . 3.600 3.462 3.035 3.656 0.056 20 0 "[ . 1 . 2]" 1
243 1 10 VAL HA 1 61 ARG HB3 4.610 . 4.810 4.136 3.400 4.602 . 0 0 "[ . 1 . 2]" 1
244 1 10 VAL QG 1 61 ARG HB3 4.790 . 4.990 2.285 1.677 2.559 0.123 12 0 "[ . 1 . 2]" 1
245 1 10 VAL HA 1 61 ARG HB2 5.440 . 5.640 4.289 3.904 4.626 . 0 0 "[ . 1 . 2]" 1
246 1 10 VAL QG 1 64 TYR QD . . 4.690 3.333 3.060 3.587 . 0 0 "[ . 1 . 2]" 1
247 1 10 VAL HA 1 14 LEU HB3 4.690 . 4.890 3.826 3.447 4.010 . 0 0 "[ . 1 . 2]" 1
248 1 10 VAL HB 1 14 LEU MD1 5.000 . 5.200 4.033 3.873 4.179 . 0 0 "[ . 1 . 2]" 1
249 1 10 VAL HA 1 61 ARG HG2 5.500 . 5.700 4.748 4.277 5.196 . 0 0 "[ . 1 . 2]" 1
250 1 10 VAL HB 1 11 THR H 4.360 . 4.560 4.130 3.377 4.344 . 0 0 "[ . 1 . 2]" 1
251 1 10 VAL QG 1 61 ARG QD 4.100 . 4.300 3.243 2.202 3.599 . 0 0 "[ . 1 . 2]" 1
252 1 10 VAL HB 1 61 ARG HB3 3.140 . 3.340 2.414 1.880 3.687 0.347 12 0 "[ . 1 . 2]" 1
253 1 10 VAL QG 1 64 TYR QE 4.720 . 4.920 2.175 2.000 2.425 . 0 0 "[ . 1 . 2]" 1
254 1 10 VAL QG 1 12 GLN HA 5.440 . 5.640 4.529 4.291 5.144 . 0 0 "[ . 1 . 2]" 1
255 1 10 VAL QG 1 14 LEU HB2 3.970 . 4.170 3.700 3.153 4.107 . 0 0 "[ . 1 . 2]" 1
256 1 10 VAL QG 1 14 LEU HB3 3.790 . 3.990 2.556 1.997 2.929 . 0 0 "[ . 1 . 2]" 1
257 1 10 VAL HB 1 14 LEU QD 4.770 . 4.970 3.979 3.821 4.118 . 0 0 "[ . 1 . 2]" 1
258 1 10 VAL QG 1 60 SER QB 5.440 . 5.640 5.633 5.164 5.806 0.166 5 0 "[ . 1 . 2]" 1
259 1 10 VAL QG 1 14 LEU HA 5.190 . 5.390 4.945 4.557 5.283 . 0 0 "[ . 1 . 2]" 1
260 1 10 VAL HA 1 11 THR HB 5.500 . 5.700 4.914 4.595 5.574 . 0 0 "[ . 1 . 2]" 1
261 1 10 VAL HA 1 14 LEU QD 3.830 . 4.030 3.826 3.316 4.035 0.005 8 0 "[ . 1 . 2]" 1
262 1 11 THR H 1 13 ASP H 5.130 . 5.330 5.047 4.520 5.333 0.003 9 0 "[ . 1 . 2]" 1
263 1 11 THR HB 1 12 GLN HB3 5.190 . 5.390 4.883 3.770 5.393 0.003 19 0 "[ . 1 . 2]" 1
264 1 11 THR MG 1 13 ASP H 3.760 . 3.960 2.537 1.859 3.971 0.011 12 0 "[ . 1 . 2]" 1
265 1 11 THR HB 1 13 ASP HA 4.890 . 5.090 4.947 4.428 5.183 0.093 7 0 "[ . 1 . 2]" 1
266 1 11 THR HB 1 12 GLN H 3.360 . 3.560 3.294 2.384 3.605 0.045 4 0 "[ . 1 . 2]" 1
267 1 11 THR HB 1 14 LEU HB3 5.500 . 5.700 3.876 2.727 4.980 . 0 0 "[ . 1 . 2]" 1
268 1 11 THR HB 1 12 GLN HE21 5.430 . 5.630 5.440 4.832 5.700 0.070 20 0 "[ . 1 . 2]" 1
269 1 11 THR MG 1 15 ARG QD 5.500 . 5.700 5.110 4.949 5.185 . 0 0 "[ . 1 . 2]" 1
270 1 11 THR H 1 15 ARG QD 4.710 . 4.910 4.808 3.874 4.962 0.052 5 0 "[ . 1 . 2]" 1
271 1 11 THR HB 1 13 ASP H 3.130 . 3.330 2.788 2.298 3.127 . 0 0 "[ . 1 . 2]" 1
272 1 11 THR MG 1 12 GLN H 3.740 . 3.940 2.156 1.837 2.863 . 0 0 "[ . 1 . 2]" 1
273 1 11 THR HA 1 13 ASP H 4.140 . 4.340 4.176 3.952 4.348 0.008 7 0 "[ . 1 . 2]" 1
274 1 11 THR HB 1 13 ASP HB2 5.130 . 5.330 3.574 2.699 4.545 . 0 0 "[ . 1 . 2]" 1
275 1 11 THR H 1 14 LEU H 5.500 . 5.700 3.686 3.336 3.920 . 0 0 "[ . 1 . 2]" 1
276 1 11 THR H 1 61 ARG HG3 5.500 . 5.700 5.032 4.628 5.527 . 0 0 "[ . 1 . 2]" 1
277 1 11 THR H 1 15 ARG QG 5.500 . 5.700 4.921 4.195 5.223 . 0 0 "[ . 1 . 2]" 1
278 1 11 THR MG 1 12 GLN QG 5.500 . 5.700 5.028 4.595 5.774 0.074 12 0 "[ . 1 . 2]" 1
279 1 11 THR HA 1 12 GLN H 3.270 . 3.470 2.321 2.162 2.611 . 0 0 "[ . 1 . 2]" 1
280 1 11 THR HA 1 12 GLN HB3 4.970 . 5.170 4.820 4.633 5.192 0.022 13 0 "[ . 1 . 2]" 1
281 1 11 THR HB 1 13 ASP QB 4.330 . 4.530 2.986 2.458 3.614 . 0 0 "[ . 1 . 2]" 1
282 1 11 THR H 1 11 THR HB 4.050 . 4.250 2.833 2.577 3.538 . 0 0 "[ . 1 . 2]" 1
283 1 11 THR HA 1 14 LEU H 5.500 . 5.700 4.515 4.122 4.825 . 0 0 "[ . 1 . 2]" 1
284 1 11 THR H 1 14 LEU HA 5.500 . 5.700 5.389 5.076 5.701 0.001 5 0 "[ . 1 . 2]" 1
285 1 11 THR HA 1 15 ARG QD 5.500 . 5.700 4.504 4.036 4.916 . 0 0 "[ . 1 . 2]" 1
286 1 11 THR HB 1 14 LEU H 4.060 . 4.260 2.601 1.798 3.308 0.002 15 0 "[ . 1 . 2]" 1
287 1 11 THR MG 1 12 GLN HB3 4.240 . 4.440 3.490 2.934 4.496 0.056 1 0 "[ . 1 . 2]" 1
288 1 11 THR HA 1 11 THR MG 2.830 . 3.030 2.170 1.981 2.301 . 0 0 "[ . 1 . 2]" 1
289 1 11 THR H 1 12 GLN H 4.610 . 4.810 4.516 4.385 4.591 . 0 0 "[ . 1 . 2]" 1
290 1 11 THR H 1 14 LEU HB2 3.680 . 3.880 3.100 2.710 3.399 . 0 0 "[ . 1 . 2]" 1
291 1 11 THR HA 1 12 GLN HA 5.020 . 5.220 4.336 4.171 4.462 . 0 0 "[ . 1 . 2]" 1
292 1 11 THR H 1 11 THR MG 3.520 . 3.720 3.555 2.852 3.782 0.062 8 0 "[ . 1 . 2]" 1
293 1 11 THR H 1 14 LEU HB3 4.040 . 4.240 2.921 2.421 3.409 . 0 0 "[ . 1 . 2]" 1
294 1 11 THR HB 1 13 ASP HB3 5.130 . 5.330 3.839 2.483 5.077 . 0 0 "[ . 1 . 2]" 1
295 1 12 GLN HB3 1 16 SER QB 5.340 . 5.540 4.861 4.406 5.518 . 0 0 "[ . 1 . 2]" 1
296 1 12 GLN HB3 1 13 ASP H 3.320 . 3.520 2.700 2.378 3.008 . 0 0 "[ . 1 . 2]" 1
297 1 12 GLN H 1 12 GLN HB2 3.670 . 3.870 2.491 2.324 2.607 . 0 0 "[ . 1 . 2]" 1
298 1 12 GLN HE22 1 16 SER QB 4.670 . 4.870 4.035 3.044 5.010 0.140 1 0 "[ . 1 . 2]" 1
299 1 12 GLN H 1 15 ARG QD 4.990 . 5.190 4.045 3.569 4.598 . 0 0 "[ . 1 . 2]" 1
300 1 12 GLN HA 1 15 ARG QD . . 4.110 2.194 1.848 3.609 . 0 0 "[ . 1 . 2]" 1
301 1 12 GLN H 1 12 GLN QG 4.710 . 4.910 3.984 3.863 4.050 . 0 0 "[ . 1 . 2]" 1
302 1 12 GLN QG 1 13 ASP HA 4.590 . 4.790 4.383 3.725 4.753 . 0 0 "[ . 1 . 2]" 1
303 1 12 GLN H 1 12 GLN HB3 3.350 . 3.550 2.524 2.386 2.617 . 0 0 "[ . 1 . 2]" 1
304 1 12 GLN HE21 1 15 ARG QG 5.500 . 5.700 5.013 4.492 5.650 . 0 0 "[ . 1 . 2]" 1
305 1 12 GLN HB2 1 15 ARG QG 4.830 . 5.030 4.173 4.001 4.369 . 0 0 "[ . 1 . 2]" 1
306 1 12 GLN H 1 13 ASP H 3.540 . 3.740 2.724 2.541 2.865 . 0 0 "[ . 1 . 2]" 1
307 1 12 GLN QG 1 13 ASP H 5.080 . 5.280 4.093 3.662 4.379 . 0 0 "[ . 1 . 2]" 1
308 1 12 GLN QG 1 16 SER H 4.750 . 4.950 3.945 3.610 4.780 . 0 0 "[ . 1 . 2]" 1
309 1 12 GLN QG 1 16 SER HB3 4.760 . 4.960 4.060 3.383 4.992 0.032 17 0 "[ . 1 . 2]" 1
310 1 12 GLN QG 1 16 SER QB 4.100 . 4.300 3.036 2.568 4.103 . 0 0 "[ . 1 . 2]" 1
311 1 12 GLN QG 1 16 SER HB2 4.760 . 4.960 3.142 2.621 4.371 . 0 0 "[ . 1 . 2]" 1
312 1 12 GLN HA 1 16 SER H 4.190 . 4.390 3.767 3.632 4.008 . 0 0 "[ . 1 . 2]" 1
313 1 12 GLN HE21 1 13 ASP H 4.920 . 5.120 2.776 2.463 3.250 . 0 0 "[ . 1 . 2]" 1
314 1 12 GLN HB3 1 13 ASP QB 5.180 . 5.380 4.445 4.073 5.015 . 0 0 "[ . 1 . 2]" 1
315 1 12 GLN HE22 1 12 GLN QG 3.510 . 3.710 3.487 3.420 3.522 . 0 0 "[ . 1 . 2]" 1
316 1 12 GLN HA 1 15 ARG H 4.010 . 4.210 3.701 3.505 3.877 . 0 0 "[ . 1 . 2]" 1
317 1 12 GLN HA 1 12 GLN QG 3.530 . 3.730 2.461 2.361 2.584 . 0 0 "[ . 1 . 2]" 1
318 1 12 GLN HE21 1 16 SER QB 5.200 . 5.400 4.088 3.046 4.691 . 0 0 "[ . 1 . 2]" 1
319 1 12 GLN HE22 1 13 ASP H 4.660 . 4.860 4.180 3.698 4.918 0.058 1 0 "[ . 1 . 2]" 1
320 1 12 GLN HA 1 14 LEU H 4.810 . 5.010 4.150 3.949 4.450 . 0 0 "[ . 1 . 2]" 1
321 1 12 GLN QG 1 15 ARG HB2 5.250 . 5.450 5.339 4.483 5.523 0.073 6 0 "[ . 1 . 2]" 1
322 1 12 GLN HA 1 15 ARG QG 3.570 . 3.770 2.044 1.892 2.204 . 0 0 "[ . 1 . 2]" 1
323 1 13 ASP H 1 15 ARG QD 5.340 . 5.540 5.111 4.913 5.573 0.033 12 0 "[ . 1 . 2]" 1
324 1 13 ASP HA 1 17 HIS H 4.780 . 4.980 3.957 3.717 4.203 . 0 0 "[ . 1 . 2]" 1
325 1 13 ASP QB 1 16 SER QB 5.170 . 5.370 4.573 4.314 4.814 . 0 0 "[ . 1 . 2]" 1
326 1 13 ASP H 1 14 LEU HB2 5.050 . 5.250 5.081 4.835 5.257 0.007 2 0 "[ . 1 . 2]" 1
327 1 13 ASP H 1 16 SER QB 4.650 . 4.850 4.612 4.442 4.855 0.005 10 0 "[ . 1 . 2]" 1
328 1 13 ASP H 1 13 ASP HB3 3.550 . 3.750 3.103 2.379 3.644 . 0 0 "[ . 1 . 2]" 1
329 1 13 ASP QB 1 14 LEU H 3.210 . 3.410 2.833 2.554 3.067 . 0 0 "[ . 1 . 2]" 1
330 1 13 ASP H 1 13 ASP QB 2.930 . 3.130 2.326 2.185 2.456 . 0 0 "[ . 1 . 2]" 1
331 1 13 ASP H 1 15 ARG QG 4.920 . 5.120 4.148 4.028 4.263 . 0 0 "[ . 1 . 2]" 1
332 1 13 ASP HA 1 16 SER QB 3.500 . 3.700 2.737 2.400 3.029 . 0 0 "[ . 1 . 2]" 1
333 1 13 ASP HA 1 16 SER H 4.040 . 4.240 3.655 3.329 3.914 . 0 0 "[ . 1 . 2]" 1
334 1 13 ASP H 1 13 ASP HB2 3.550 . 3.750 2.467 2.297 2.614 . 0 0 "[ . 1 . 2]" 1
335 1 13 ASP QB 1 14 LEU HB3 5.340 . 5.540 4.908 4.600 5.201 . 0 0 "[ . 1 . 2]" 1
336 1 13 ASP H 1 14 LEU H 3.250 . 3.450 2.761 2.554 2.936 . 0 0 "[ . 1 . 2]" 1
337 1 13 ASP QB 1 14 LEU QD 5.000 . 5.200 4.819 4.545 5.049 . 0 0 "[ . 1 . 2]" 1
338 1 13 ASP QB 1 17 HIS H 5.340 . 5.540 5.014 4.565 5.395 . 0 0 "[ . 1 . 2]" 1
339 1 13 ASP HA 1 16 SER HB2 4.200 . 4.400 3.905 2.523 4.353 . 0 0 "[ . 1 . 2]" 1
340 1 13 ASP HA 1 16 SER HB3 4.200 . 4.400 2.954 2.428 4.426 0.026 17 0 "[ . 1 . 2]" 1
341 1 14 LEU MD2 2 41 MET HG2 5.500 . 5.700 4.672 3.601 5.345 . 0 0 "[ . 1 . 2]" 1
342 1 14 LEU QD 1 17 HIS HD2 4.040 . 4.240 4.256 3.902 4.356 0.116 19 0 "[ . 1 . 2]" 1
343 1 14 LEU HB3 1 14 LEU MD2 3.330 . 3.530 3.199 3.182 3.217 . 0 0 "[ . 1 . 2]" 1
344 1 14 LEU QD 1 18 LEU H 4.440 . 4.640 3.625 3.543 3.707 . 0 0 "[ . 1 . 2]" 1
345 1 14 LEU H 1 15 ARG H 3.430 . 3.630 2.457 2.341 2.703 . 0 0 "[ . 1 . 2]" 1
346 1 14 LEU QD 1 18 LEU HB3 5.440 . 5.640 4.456 4.347 4.625 . 0 0 "[ . 1 . 2]" 1
347 1 14 LEU H 1 17 HIS HB2 5.500 . 5.700 4.964 4.680 5.194 . 0 0 "[ . 1 . 2]" 1
348 1 14 LEU QD 1 15 ARG QD 4.760 . 4.960 4.277 3.268 4.529 . 0 0 "[ . 1 . 2]" 1
349 1 14 LEU HA 1 14 LEU MD1 3.580 . 3.780 3.247 3.108 3.334 . 0 0 "[ . 1 . 2]" 1
350 1 14 LEU HA 1 17 HIS HB3 3.420 . 3.620 3.031 2.758 3.294 . 0 0 "[ . 1 . 2]" 1
351 1 14 LEU QD 1 15 ARG HA 4.960 . 5.160 2.596 2.410 3.122 . 0 0 "[ . 1 . 2]" 1
352 1 14 LEU HA 1 15 ARG QG 4.900 . 5.100 5.013 4.911 5.071 . 0 0 "[ . 1 . 2]" 1
353 1 14 LEU HB2 1 15 ARG H 3.970 . 4.170 3.592 3.387 3.688 . 0 0 "[ . 1 . 2]" 1
354 1 14 LEU HB3 1 15 ARG H 3.790 . 3.990 2.205 2.022 2.292 . 0 0 "[ . 1 . 2]" 1
355 1 14 LEU QD 1 15 ARG H 4.710 . 4.910 2.946 2.716 3.062 . 0 0 "[ . 1 . 2]" 1
356 1 14 LEU HA 1 18 LEU QD 3.840 . 4.040 3.323 3.052 3.402 . 0 0 "[ . 1 . 2]" 1
357 1 14 LEU H 1 15 ARG QG 4.140 . 4.340 3.421 3.305 3.599 . 0 0 "[ . 1 . 2]" 1
358 1 14 LEU MD2 2 41 MET HG3 5.500 . 5.700 4.510 3.493 5.691 . 0 0 "[ . 1 . 2]" 1
359 1 14 LEU MD2 2 41 MET ME 4.060 . 4.260 2.307 2.004 3.328 . 0 0 "[ . 1 . 2]" 1
360 1 14 LEU QD 1 17 HIS HB3 3.800 . 4.000 3.204 3.063 3.367 . 0 0 "[ . 1 . 2]" 1
361 1 14 LEU MD1 1 17 HIS HB2 5.000 . 5.200 5.245 5.213 5.278 0.078 15 0 "[ . 1 . 2]" 1
362 1 14 LEU HA 1 18 LEU H 4.580 . 4.780 4.333 4.158 4.397 . 0 0 "[ . 1 . 2]" 1
363 1 14 LEU QD 1 17 HIS HA 5.440 . 5.640 5.523 5.442 5.623 . 0 0 "[ . 1 . 2]" 1
364 1 14 LEU QD 1 61 ARG HA 5.440 . 5.640 4.908 4.629 5.148 . 0 0 "[ . 1 . 2]" 1
365 1 14 LEU H 1 14 LEU MD1 4.360 . 4.560 4.148 4.042 4.243 . 0 0 "[ . 1 . 2]" 1
366 1 14 LEU QD 1 17 HIS H 4.760 . 4.960 4.198 4.075 4.271 . 0 0 "[ . 1 . 2]" 1
367 1 14 LEU HB3 1 16 SER H 4.840 . 5.040 4.855 4.765 5.045 0.005 12 0 "[ . 1 . 2]" 1
368 1 14 LEU HA 1 16 SER QB 5.340 . 5.540 5.454 5.314 5.567 0.027 17 0 "[ . 1 . 2]" 1
369 1 14 LEU H 1 16 SER QB 4.930 . 5.130 4.808 4.682 4.985 . 0 0 "[ . 1 . 2]" 1
370 1 14 LEU MD1 2 41 MET ME 4.310 . 4.510 3.944 3.446 4.410 . 0 0 "[ . 1 . 2]" 1
371 1 14 LEU H 1 15 ARG QD 4.390 . 4.590 4.706 4.615 4.749 0.159 8 0 "[ . 1 . 2]" 1
372 1 14 LEU HA 1 17 HIS H 3.820 . 4.020 3.649 3.440 3.769 . 0 0 "[ . 1 . 2]" 1
373 1 14 LEU H 1 17 HIS H 4.880 . 5.080 4.524 4.397 4.674 . 0 0 "[ . 1 . 2]" 1
374 1 14 LEU HA 2 37 LEU QD 4.960 . 5.160 5.194 4.951 5.247 0.087 6 0 "[ . 1 . 2]" 1
375 1 14 LEU HG 2 37 LEU MD1 4.630 . 4.830 2.268 1.946 2.609 . 0 0 "[ . 1 . 2]" 1
376 1 14 LEU QD 1 18 LEU HG 4.360 . 4.560 3.826 3.740 3.902 . 0 0 "[ . 1 . 2]" 1
377 1 14 LEU QD 1 65 TYR QB 4.200 . 4.400 2.689 2.437 3.025 . 0 0 "[ . 1 . 2]" 1
378 1 14 LEU H 1 14 LEU MD2 4.360 . 4.560 4.206 4.079 4.309 . 0 0 "[ . 1 . 2]" 1
379 1 14 LEU MD1 1 65 TYR HA 5.500 . 5.700 4.416 4.246 4.624 . 0 0 "[ . 1 . 2]" 1
380 1 14 LEU H 1 14 LEU HB2 3.030 . 3.230 2.568 2.387 2.714 . 0 0 "[ . 1 . 2]" 1
381 1 14 LEU QD 1 65 TYR HE2 3.980 . 4.180 4.271 4.209 4.322 0.142 2 0 "[ . 1 . 2]" 1
382 1 14 LEU QD 1 18 LEU QD 3.030 . 3.230 1.754 1.718 1.787 0.082 12 0 "[ . 1 . 2]" 1
383 1 14 LEU HG 2 37 LEU QD 4.000 . 4.200 2.259 1.942 2.590 . 0 0 "[ . 1 . 2]" 1
384 1 14 LEU QD 1 15 ARG QG 4.220 . 4.420 4.034 3.931 4.179 . 0 0 "[ . 1 . 2]" 1
385 1 14 LEU MD2 2 37 LEU QD 3.010 . 3.210 2.455 2.108 2.895 . 0 0 "[ . 1 . 2]" 1
386 1 14 LEU HG 2 37 LEU MD2 4.630 . 4.830 4.339 3.758 4.710 . 0 0 "[ . 1 . 2]" 1
387 1 14 LEU HB2 2 37 LEU HG 5.000 . 5.200 4.503 3.190 5.205 0.005 15 0 "[ . 1 . 2]" 1
388 1 14 LEU MD2 1 17 HIS HB3 5.000 . 5.200 3.313 3.147 3.517 . 0 0 "[ . 1 . 2]" 1
389 1 14 LEU MD2 2 37 LEU QB 3.960 . 4.160 2.076 1.812 2.561 . 0 0 "[ . 1 . 2]" 1
390 1 14 LEU MD2 1 65 TYR HA 5.500 . 5.700 5.764 5.714 5.847 0.147 15 0 "[ . 1 . 2]" 1
391 1 14 LEU HG 1 18 LEU QD 3.870 . 4.070 3.854 3.761 3.941 . 0 0 "[ . 1 . 2]" 1
392 1 14 LEU QD 1 65 TYR HD2 4.970 . 5.170 3.785 3.654 3.985 . 0 0 "[ . 1 . 2]" 1
393 1 14 LEU H 1 14 LEU QD 3.800 . 4.000 3.719 3.694 3.756 . 0 0 "[ . 1 . 2]" 1
394 1 14 LEU HB3 1 14 LEU QD 2.910 . 3.110 2.232 2.212 2.258 . 0 0 "[ . 1 . 2]" 1
395 1 14 LEU HA 1 14 LEU HG 3.980 . 4.180 3.826 3.772 3.863 . 0 0 "[ . 1 . 2]" 1
396 1 14 LEU HB3 1 14 LEU HG 2.970 . 3.170 2.554 2.534 2.575 . 0 0 "[ . 1 . 2]" 1
397 1 14 LEU H 1 14 LEU HB3 3.210 . 3.410 2.477 2.414 2.585 . 0 0 "[ . 1 . 2]" 1
398 1 14 LEU MD2 2 37 LEU HG 4.380 . 4.580 3.483 2.580 4.084 . 0 0 "[ . 1 . 2]" 1
399 1 14 LEU QD 1 65 TYR HA 4.850 . 5.050 4.281 4.140 4.458 . 0 0 "[ . 1 . 2]" 1
400 1 14 LEU HB3 1 14 LEU MD1 3.330 . 3.530 2.278 2.255 2.307 . 0 0 "[ . 1 . 2]" 1
401 1 14 LEU QD 1 64 TYR QE 4.780 . 4.980 2.434 2.205 2.789 . 0 0 "[ . 1 . 2]" 1
402 1 14 LEU MD1 1 64 TYR QE 6.000 . 6.200 2.440 2.208 2.802 . 0 0 "[ . 1 . 2]" 1
403 1 14 LEU MD2 1 64 TYR QE 6.000 . 6.200 4.872 4.691 5.069 . 0 0 "[ . 1 . 2]" 1
404 1 14 LEU MD2 1 18 LEU MD1 5.000 . 5.200 2.218 2.068 2.345 . 0 0 "[ . 1 . 2]" 1
405 1 14 LEU HA 1 14 LEU MD2 3.580 . 3.780 2.166 2.051 2.248 . 0 0 "[ . 1 . 2]" 1
406 1 14 LEU MD1 2 37 LEU QD 3.510 . 3.710 2.392 1.992 2.910 . 0 0 "[ . 1 . 2]" 1
407 1 14 LEU MD2 2 37 LEU HA 4.680 . 4.880 4.195 3.531 4.593 . 0 0 "[ . 1 . 2]" 1
408 1 14 LEU HA 1 14 LEU QD 2.900 . 3.100 2.136 2.026 2.214 . 0 0 "[ . 1 . 2]" 1
409 1 14 LEU MD2 1 17 HIS HB2 5.000 . 5.200 4.175 4.028 4.253 . 0 0 "[ . 1 . 2]" 1
410 1 14 LEU H 1 16 SER H 4.490 . 4.690 3.915 3.746 4.131 . 0 0 "[ . 1 . 2]" 1
411 1 14 LEU QD 1 17 HIS HB2 3.810 . 4.010 4.020 3.900 4.081 0.071 13 0 "[ . 1 . 2]" 1
412 1 14 LEU HB3 1 18 LEU QD 3.750 . 3.950 4.035 3.958 4.064 0.114 17 0 "[ . 1 . 2]" 1
413 1 14 LEU MD1 1 17 HIS HB3 5.000 . 5.200 4.266 4.101 4.521 . 0 0 "[ . 1 . 2]" 1
414 1 14 LEU MD1 1 18 LEU MD1 5.000 . 5.200 2.415 2.159 2.739 . 0 0 "[ . 1 . 2]" 1
415 1 14 LEU HA 1 17 HIS HB2 3.820 . 4.020 3.151 2.874 3.377 . 0 0 "[ . 1 . 2]" 1
416 1 15 ARG H 1 15 ARG QD . . 3.880 3.254 2.548 3.394 . 0 0 "[ . 1 . 2]" 1
417 1 15 ARG HB3 1 16 SER H 4.170 . 4.370 4.039 3.519 4.102 . 0 0 "[ . 1 . 2]" 1
418 1 15 ARG HB3 1 18 LEU HB2 5.300 . 5.500 4.821 4.673 5.252 . 0 0 "[ . 1 . 2]" 1
419 1 15 ARG QD 1 55 TYR QE 5.000 . 5.200 3.086 2.829 3.560 . 0 0 "[ . 1 . 2]" 1
420 1 15 ARG H 1 15 ARG HB3 3.590 . 3.790 2.767 2.643 3.592 . 0 0 "[ . 1 . 2]" 1
421 1 15 ARG HB2 1 16 SER H 3.640 . 3.840 3.424 2.019 3.592 . 0 0 "[ . 1 . 2]" 1
422 1 15 ARG HB2 1 16 SER QB 4.700 . 4.900 4.685 3.158 4.976 0.076 10 0 "[ . 1 . 2]" 1
423 1 15 ARG HB2 1 51 GLU QG 5.160 . 5.360 3.225 2.868 4.702 . 0 0 "[ . 1 . 2]" 1
424 1 15 ARG QG 1 16 SER HB3 4.970 . 5.170 4.159 3.938 5.049 . 0 0 "[ . 1 . 2]" 1
425 1 15 ARG HB2 1 16 SER HB3 5.500 . 5.700 5.689 4.207 5.786 0.086 18 0 "[ . 1 . 2]" 1
426 1 15 ARG HB2 1 16 SER HB2 5.500 . 5.700 4.992 3.264 5.436 . 0 0 "[ . 1 . 2]" 1
427 1 15 ARG HB2 1 16 SER HA 5.090 . 5.290 4.180 3.333 4.354 . 0 0 "[ . 1 . 2]" 1
428 1 15 ARG HA 1 18 LEU QD 2.920 . 3.120 2.499 2.188 3.137 0.017 12 0 "[ . 1 . 2]" 1
429 1 15 ARG QG 1 16 SER H 3.460 . 3.660 2.310 2.185 3.065 . 0 0 "[ . 1 . 2]" 1
430 1 15 ARG QD 1 16 SER H 5.160 . 5.360 4.174 4.068 4.595 . 0 0 "[ . 1 . 2]" 1
431 1 15 ARG QG 1 16 SER HB2 4.970 . 5.170 3.446 3.246 4.406 . 0 0 "[ . 1 . 2]" 1
432 1 15 ARG H 1 16 SER H 3.410 . 3.610 2.790 2.678 3.014 . 0 0 "[ . 1 . 2]" 1
433 1 15 ARG H 1 18 LEU QD 5.440 . 5.640 4.012 3.778 4.100 . 0 0 "[ . 1 . 2]" 1
434 1 15 ARG HA 1 68 LEU MD2 5.020 . 5.220 4.369 4.240 4.703 . 0 0 "[ . 1 . 2]" 1
435 1 15 ARG HA 1 15 ARG QD 3.980 . 4.180 4.182 2.956 4.268 0.088 8 0 "[ . 1 . 2]" 1
436 1 15 ARG QD 1 18 LEU QD 5.240 . 5.440 5.304 4.548 5.462 0.022 17 0 "[ . 1 . 2]" 1
437 1 15 ARG H 1 17 HIS H 4.430 . 4.630 4.002 3.889 4.209 . 0 0 "[ . 1 . 2]" 1
438 1 15 ARG QG 1 16 SER HA 4.680 . 4.880 3.782 3.593 4.949 0.069 12 0 "[ . 1 . 2]" 1
439 1 15 ARG HA 1 19 VAL MG2 5.160 . 5.360 3.848 3.606 4.016 . 0 0 "[ . 1 . 2]" 1
440 1 15 ARG HB2 1 19 VAL MG2 4.390 . 4.590 3.259 3.048 3.614 . 0 0 "[ . 1 . 2]" 1
441 1 15 ARG QG 1 16 SER QB 4.250 . 4.450 3.287 3.118 4.146 . 0 0 "[ . 1 . 2]" 1
442 1 15 ARG QG 1 18 LEU QD 4.530 . 4.730 4.724 4.550 4.958 0.228 12 0 "[ . 1 . 2]" 1
443 1 15 ARG H 1 15 ARG QG 3.300 . 3.500 1.874 1.743 1.954 0.057 12 0 "[ . 1 . 2]" 1
444 1 15 ARG QG 1 17 HIS H 4.820 . 5.020 4.402 4.289 4.999 . 0 0 "[ . 1 . 2]" 1
445 1 15 ARG HA 1 18 LEU MD2 4.000 . 4.200 2.569 2.210 3.250 . 0 0 "[ . 1 . 2]" 1
446 1 15 ARG HA 1 18 LEU MD1 4.000 . 4.200 3.464 3.247 4.130 . 0 0 "[ . 1 . 2]" 1
447 1 16 SER H 1 17 HIS H 3.310 . 3.510 2.586 2.527 2.636 . 0 0 "[ . 1 . 2]" 1
448 1 16 SER HB3 1 19 VAL HB 5.500 . 5.700 4.653 3.423 4.972 . 0 0 "[ . 1 . 2]" 1
449 1 16 SER QB 1 17 HIS H 3.480 . 3.680 2.876 2.753 3.041 . 0 0 "[ . 1 . 2]" 1
450 1 16 SER HB2 1 19 VAL HB 5.500 . 5.700 4.423 4.311 4.633 . 0 0 "[ . 1 . 2]" 1
451 1 16 SER H 1 19 VAL MG2 5.460 . 5.660 3.966 3.867 4.141 . 0 0 "[ . 1 . 2]" 1
452 1 16 SER QB 1 19 VAL HB 4.740 . 4.940 4.000 3.328 4.254 . 0 0 "[ . 1 . 2]" 1
453 1 16 SER HA 1 19 VAL MG1 . . 4.110 3.341 3.140 3.540 . 0 0 "[ . 1 . 2]" 1
454 1 16 SER HA 1 19 VAL MG2 3.980 . 4.180 2.322 2.084 2.504 . 0 0 "[ . 1 . 2]" 1
455 1 16 SER H 1 19 VAL HB 5.030 . 5.230 4.736 4.604 4.934 . 0 0 "[ . 1 . 2]" 1
456 1 16 SER HA 1 19 VAL HB 3.000 . 3.200 2.102 1.980 2.337 . 0 0 "[ . 1 . 2]" 1
457 1 16 SER H 1 17 HIS HB3 5.360 . 5.560 4.899 4.683 5.159 . 0 0 "[ . 1 . 2]" 1
458 1 16 SER H 1 18 LEU H 4.670 . 4.870 4.219 4.110 4.369 . 0 0 "[ . 1 . 2]" 1
459 1 16 SER HA 1 19 VAL H 3.940 . 4.140 3.168 2.881 3.392 . 0 0 "[ . 1 . 2]" 1
460 1 16 SER H 1 18 LEU QD 4.610 . 4.810 4.730 4.572 4.790 . 0 0 "[ . 1 . 2]" 1
461 1 16 SER H 1 17 HIS HA 5.500 . 5.700 5.192 5.140 5.243 . 0 0 "[ . 1 . 2]" 1
462 1 16 SER H 1 17 HIS HB2 4.920 . 5.120 4.699 4.555 4.851 . 0 0 "[ . 1 . 2]" 1
463 1 16 SER H 1 16 SER QB 2.920 . 3.120 2.220 2.171 2.430 . 0 0 "[ . 1 . 2]" 1
464 1 16 SER HA 1 20 HIS H 4.470 . 4.670 3.795 3.659 3.896 . 0 0 "[ . 1 . 2]" 1
465 1 17 HIS H 1 18 LEU HB2 4.960 . 5.160 4.430 4.301 4.536 . 0 0 "[ . 1 . 2]" 1
466 1 17 HIS HB3 1 18 LEU QD 4.080 . 4.280 2.411 2.295 2.552 . 0 0 "[ . 1 . 2]" 1
467 1 17 HIS HB3 1 18 LEU H 3.880 . 4.080 2.332 2.158 2.582 . 0 0 "[ . 1 . 2]" 1
468 1 17 HIS H 1 17 HIS HB3 3.140 . 3.340 2.571 2.396 2.731 . 0 0 "[ . 1 . 2]" 1
469 1 17 HIS HA 1 20 HIS HB2 3.980 . 4.180 3.539 3.179 3.788 . 0 0 "[ . 1 . 2]" 1
470 1 17 HIS H 1 18 LEU MD1 5.500 . 5.700 3.846 3.702 3.966 . 0 0 "[ . 1 . 2]" 1
471 1 17 HIS H 1 18 LEU MD2 5.500 . 5.700 5.074 4.675 5.339 . 0 0 "[ . 1 . 2]" 1
472 1 17 HIS H 1 19 VAL HB 5.130 . 5.330 4.615 4.418 4.762 . 0 0 "[ . 1 . 2]" 1
473 1 17 HIS H 1 17 HIS HB2 3.240 . 3.440 2.359 2.268 2.474 . 0 0 "[ . 1 . 2]" 1
474 1 17 HIS H 1 17 HIS HD2 5.450 . 5.650 5.109 4.980 5.264 . 0 0 "[ . 1 . 2]" 1
475 1 17 HIS HB3 1 18 LEU HA 4.070 . 4.270 4.103 3.995 4.194 . 0 0 "[ . 1 . 2]" 1
476 1 17 HIS HD2 1 21 LYS QD 4.810 . 5.010 2.415 2.209 2.900 . 0 0 "[ . 1 . 2]" 1
477 1 17 HIS HA 1 21 LYS H 4.760 . 4.960 4.266 4.143 4.458 . 0 0 "[ . 1 . 2]" 1
478 1 17 HIS HD2 1 21 LYS HG2 5.500 . 5.700 5.225 5.033 5.710 0.010 16 0 "[ . 1 . 2]" 1
479 1 17 HIS H 1 18 LEU QD 4.340 . 4.540 3.734 3.604 3.795 . 0 0 "[ . 1 . 2]" 1
480 1 17 HIS HB2 1 18 LEU H 4.000 . 4.200 3.582 3.478 3.655 . 0 0 "[ . 1 . 2]" 1
481 1 17 HIS HA 1 20 HIS HB3 3.960 . 4.160 2.645 2.330 2.814 . 0 0 "[ . 1 . 2]" 1
482 1 17 HIS HB3 1 18 LEU MD1 4.900 . 5.100 2.422 2.304 2.564 . 0 0 "[ . 1 . 2]" 1
483 1 17 HIS HB3 1 21 LYS QD 4.540 . 4.740 4.555 4.289 4.751 0.011 14 0 "[ . 1 . 2]" 1
484 1 17 HIS HA 1 19 VAL MG1 5.500 . 5.700 5.804 5.712 5.850 0.150 13 0 "[ . 1 . 2]" 1
485 1 17 HIS H 1 19 VAL H 4.360 . 4.560 3.887 3.752 3.990 . 0 0 "[ . 1 . 2]" 1
486 1 17 HIS HD2 1 18 LEU MD1 5.400 . 5.600 2.430 2.078 3.081 . 0 0 "[ . 1 . 2]" 1
487 1 17 HIS HA 1 18 LEU QD 5.440 . 5.640 4.384 4.268 4.465 . 0 0 "[ . 1 . 2]" 1
488 1 17 HIS HB3 1 18 LEU MD2 4.900 . 5.100 4.441 4.020 4.694 . 0 0 "[ . 1 . 2]" 1
489 1 17 HIS HB2 1 18 LEU QD 5.010 . 5.210 3.790 3.663 3.874 . 0 0 "[ . 1 . 2]" 1
490 1 17 HIS HD2 1 18 LEU QD 4.460 . 4.660 2.425 2.076 3.067 . 0 0 "[ . 1 . 2]" 1
491 1 17 HIS H 1 20 HIS HB2 5.500 . 5.700 5.559 5.310 5.711 0.011 20 0 "[ . 1 . 2]" 1
492 1 17 HIS HD2 1 18 LEU MD2 5.400 . 5.600 5.103 4.675 5.602 0.002 15 0 "[ . 1 . 2]" 1
493 1 17 HIS HA 1 20 HIS H 4.070 . 4.270 3.526 3.365 3.645 . 0 0 "[ . 1 . 2]" 1
494 1 17 HIS HB3 1 18 LEU HG 5.380 . 5.580 5.157 4.977 5.386 . 0 0 "[ . 1 . 2]" 1
495 1 17 HIS H 1 18 LEU H 3.370 . 3.570 2.549 2.452 2.614 . 0 0 "[ . 1 . 2]" 1
496 1 17 HIS HA 1 17 HIS HD2 5.110 . 5.310 4.096 3.960 4.382 . 0 0 "[ . 1 . 2]" 1
497 1 18 LEU HB3 1 68 LEU MD2 3.950 . 4.150 2.476 2.284 3.064 . 0 0 "[ . 1 . 2]" 1
498 1 18 LEU MD2 1 68 LEU MD2 3.840 . 4.040 1.791 1.780 1.812 0.020 5 0 "[ . 1 . 2]" 1
499 1 18 LEU MD1 1 21 LYS QD 5.000 . 5.200 3.253 3.012 3.431 . 0 0 "[ . 1 . 2]" 1
500 1 18 LEU HB2 1 68 LEU MD1 3.870 . 4.070 3.651 3.551 3.735 . 0 0 "[ . 1 . 2]" 1
501 1 18 LEU HA 1 68 LEU MD2 4.840 . 5.040 4.705 4.532 5.070 0.030 1 0 "[ . 1 . 2]" 1
502 1 18 LEU HG 1 65 TYR QB 5.140 . 5.340 4.270 4.167 4.369 . 0 0 "[ . 1 . 2]" 1
503 1 18 LEU H 1 18 LEU QD 3.410 . 3.610 2.212 2.139 2.267 . 0 0 "[ . 1 . 2]" 1
504 1 18 LEU HG 1 68 LEU MD1 3.610 . 3.810 2.516 2.280 2.682 . 0 0 "[ . 1 . 2]" 1
505 1 18 LEU HA 1 18 LEU MD2 4.050 . 4.250 3.855 3.796 3.892 . 0 0 "[ . 1 . 2]" 1
506 1 18 LEU H 1 18 LEU HB2 3.670 . 3.870 2.248 2.208 2.333 . 0 0 "[ . 1 . 2]" 1
507 1 18 LEU HA 1 22 LEU QD 4.360 . 4.560 4.501 3.596 4.612 0.052 5 0 "[ . 1 . 2]" 1
508 1 18 LEU HB3 1 72 ILE MG 5.500 . 5.700 5.429 5.201 5.713 0.013 3 0 "[ . 1 . 2]" 1
509 1 18 LEU HB2 1 68 LEU HG 5.500 . 5.700 5.503 5.370 5.768 0.068 1 0 "[ . 1 . 2]" 1
510 1 18 LEU QD 2 41 MET QG 4.850 . 5.050 4.645 4.031 5.115 0.065 18 0 "[ . 1 . 2]" 1
511 1 18 LEU HB2 1 21 LYS QD 5.500 . 5.700 5.566 5.245 5.723 0.023 6 0 "[ . 1 . 2]" 1
512 1 18 LEU MD2 2 41 MET ME 4.400 . 4.600 4.045 3.428 4.667 0.067 3 0 "[ . 1 . 2]" 1
513 1 18 LEU HA 1 21 LYS QE 4.950 . 5.150 4.853 4.145 5.196 0.046 10 0 "[ . 1 . 2]" 1
514 1 18 LEU HA 1 21 LYS QD 3.540 . 3.740 2.975 2.514 3.179 . 0 0 "[ . 1 . 2]" 1
515 1 18 LEU MD2 1 21 LYS QD 5.000 . 5.200 5.337 5.217 5.411 0.211 12 0 "[ . 1 . 2]" 1
516 1 18 LEU QD 1 19 VAL H 3.850 . 4.050 3.817 3.680 3.865 . 0 0 "[ . 1 . 2]" 1
517 1 18 LEU QD 1 51 GLU QG 5.280 . 5.480 3.822 3.729 4.213 . 0 0 "[ . 1 . 2]" 1
518 1 18 LEU HB2 1 51 GLU QG 3.460 . 3.660 3.544 3.439 3.668 0.008 1 0 "[ . 1 . 2]" 1
519 1 18 LEU H 1 19 VAL HB 4.700 . 4.900 4.587 4.461 4.653 . 0 0 "[ . 1 . 2]" 1
520 1 18 LEU HA 1 20 HIS H 4.810 . 5.010 4.499 4.372 4.636 . 0 0 "[ . 1 . 2]" 1
521 1 18 LEU HA 1 18 LEU QD 3.160 . 3.360 2.306 2.180 2.452 . 0 0 "[ . 1 . 2]" 1
522 1 18 LEU H 1 18 LEU MD1 3.960 . 4.160 2.239 2.161 2.295 . 0 0 "[ . 1 . 2]" 1
523 1 18 LEU MD2 1 64 TYR QE 4.670 . 4.870 3.084 2.914 3.158 . 0 0 "[ . 1 . 2]" 1
524 1 18 LEU HB2 1 68 LEU MD2 4.320 . 4.520 3.228 3.090 3.555 . 0 0 "[ . 1 . 2]" 1
525 1 18 LEU HB3 1 68 LEU MD1 4.040 . 4.240 2.190 2.079 2.385 . 0 0 "[ . 1 . 2]" 1
526 1 18 LEU MD1 2 41 MET ME 4.400 . 4.600 2.498 1.864 3.073 . 0 0 "[ . 1 . 2]" 1
527 1 18 LEU QD 2 41 MET ME 3.100 . 3.300 2.474 1.856 3.030 . 0 0 "[ . 1 . 2]" 1
528 1 18 LEU H 1 18 LEU HB3 3.790 . 3.990 3.516 3.489 3.549 . 0 0 "[ . 1 . 2]" 1
529 1 18 LEU HB3 1 18 LEU QD 2.950 . 3.150 2.445 2.390 2.478 . 0 0 "[ . 1 . 2]" 1
530 1 18 LEU MD1 1 65 TYR HE2 5.000 . 5.200 5.086 4.864 5.233 0.033 3 0 "[ . 1 . 2]" 1
531 1 18 LEU HB3 1 22 LEU H 5.500 . 5.700 4.794 4.743 4.898 . 0 0 "[ . 1 . 2]" 1
532 1 18 LEU HB2 1 18 LEU QD 3.060 . 3.260 2.063 2.023 2.092 . 0 0 "[ . 1 . 2]" 1
533 1 18 LEU HG 1 51 GLU QG 5.340 . 5.540 5.589 5.537 5.676 0.136 13 0 "[ . 1 . 2]" 1
534 1 18 LEU H 1 21 LYS QD 4.840 . 5.040 4.713 4.285 4.932 . 0 0 "[ . 1 . 2]" 1
535 1 18 LEU QD 1 65 TYR H 5.440 . 5.640 4.104 3.976 4.340 . 0 0 "[ . 1 . 2]" 1
536 1 18 LEU HA 2 41 MET ME 5.490 . 5.690 5.095 3.720 5.756 0.066 13 0 "[ . 1 . 2]" 1
537 1 18 LEU H 1 18 LEU MD2 3.960 . 4.160 3.454 3.166 3.655 . 0 0 "[ . 1 . 2]" 1
538 1 18 LEU HA 1 21 LYS H 3.730 . 3.930 3.391 3.316 3.494 . 0 0 "[ . 1 . 2]" 1
539 1 18 LEU HA 1 21 LYS HB2 3.750 . 3.950 2.560 2.423 2.858 . 0 0 "[ . 1 . 2]" 1
540 1 18 LEU HA 1 18 LEU MD1 4.050 . 4.250 2.324 2.193 2.481 . 0 0 "[ . 1 . 2]" 1
541 1 18 LEU QD 1 64 TYR QE 3.940 . 4.140 3.052 2.894 3.123 . 0 0 "[ . 1 . 2]" 1
542 1 18 LEU H 1 18 LEU HG 3.900 . 4.100 4.078 4.002 4.126 0.026 15 0 "[ . 1 . 2]" 1
543 1 18 LEU MD1 1 68 LEU MD2 3.840 . 4.040 4.053 3.924 4.117 0.077 19 0 "[ . 1 . 2]" 1
544 1 18 LEU HG 1 69 ALA MB 4.240 . 4.440 4.412 4.113 4.502 0.062 6 0 "[ . 1 . 2]" 1
545 1 18 LEU HA 1 68 LEU MD1 4.240 . 4.440 3.662 3.566 3.933 . 0 0 "[ . 1 . 2]" 1
546 1 18 LEU MD1 2 38 GLU HB3 5.500 . 5.700 5.028 3.696 5.831 0.131 13 0 "[ . 1 . 2]" 1
547 1 18 LEU MD2 1 65 TYR HE2 5.000 . 5.200 5.138 5.022 5.223 0.023 10 0 "[ . 1 . 2]" 1
548 1 18 LEU QD 1 65 TYR QB 4.360 . 4.560 2.225 2.071 2.491 . 0 0 "[ . 1 . 2]" 1
549 1 18 LEU HB3 1 19 VAL H 3.880 . 4.080 3.354 3.154 3.427 . 0 0 "[ . 1 . 2]" 1
550 1 18 LEU QD 1 21 LYS QD 3.570 . 3.770 3.226 2.996 3.391 . 0 0 "[ . 1 . 2]" 1
551 1 18 LEU QD 1 68 LEU MD1 3.510 . 3.710 2.746 2.581 3.045 . 0 0 "[ . 1 . 2]" 1
552 1 18 LEU HB3 1 22 LEU QD 4.510 . 4.710 3.422 2.763 3.578 . 0 0 "[ . 1 . 2]" 1
553 1 18 LEU HA 1 18 LEU HG 3.610 . 3.810 2.845 2.705 2.991 . 0 0 "[ . 1 . 2]" 1
554 1 18 LEU MD1 1 64 TYR QE 4.670 . 4.870 4.885 4.648 4.955 0.085 10 0 "[ . 1 . 2]" 1
555 1 18 LEU HG 1 68 LEU MD2 3.880 . 4.080 3.174 2.800 3.351 . 0 0 "[ . 1 . 2]" 1
556 1 18 LEU QD 1 65 TYR HD2 5.440 . 5.640 4.026 3.897 4.171 . 0 0 "[ . 1 . 2]" 1
557 1 18 LEU HG 1 65 TYR HA 3.920 . 4.120 4.034 3.826 4.148 0.028 19 0 "[ . 1 . 2]" 1
558 1 18 LEU QD 1 21 LYS H 5.360 . 5.560 4.824 4.712 4.917 . 0 0 "[ . 1 . 2]" 1
559 1 19 VAL MG1 1 48 LYS HE2 3.670 . 3.870 3.383 3.091 3.549 . 0 0 "[ . 1 . 2]" 1
560 1 19 VAL MG2 1 48 LYS HA 3.250 . 3.450 2.649 2.310 2.810 . 0 0 "[ . 1 . 2]" 1
561 1 19 VAL MG2 1 48 LYS HD3 5.000 . 5.200 5.208 5.072 5.251 0.051 9 0 "[ . 1 . 2]" 1
562 1 19 VAL HA 1 19 VAL MG2 2.970 . 3.170 2.361 2.314 2.390 . 0 0 "[ . 1 . 2]" 1
563 1 19 VAL MG1 1 48 LYS HG2 3.300 . 3.500 2.815 2.604 3.093 . 0 0 "[ . 1 . 2]" 1
564 1 19 VAL MG2 1 20 HIS H 4.190 . 4.390 3.773 3.651 3.902 . 0 0 "[ . 1 . 2]" 1
565 1 19 VAL HA 1 22 LEU MD1 4.000 . 4.200 1.941 1.875 2.273 . 0 0 "[ . 1 . 2]" 1
566 1 19 VAL HB 1 48 LYS HG2 5.500 . 5.700 4.891 4.685 5.086 . 0 0 "[ . 1 . 2]" 1
567 1 19 VAL HA 1 22 LEU H 4.330 . 4.530 3.426 3.334 3.535 . 0 0 "[ . 1 . 2]" 1
568 1 19 VAL MG1 1 48 LYS QB 4.370 . 4.570 3.870 3.705 3.992 . 0 0 "[ . 1 . 2]" 1
569 1 19 VAL MG1 1 48 LYS HA 3.660 . 3.860 3.052 2.824 3.228 . 0 0 "[ . 1 . 2]" 1
570 1 19 VAL MG1 1 48 LYS HD3 5.000 . 5.200 4.678 4.535 4.846 . 0 0 "[ . 1 . 2]" 1
571 1 19 VAL HA 1 19 VAL MG1 3.240 . 3.440 2.468 2.433 2.655 . 0 0 "[ . 1 . 2]" 1
572 1 19 VAL H 1 19 VAL MG1 3.840 . 4.040 3.708 3.659 3.742 . 0 0 "[ . 1 . 2]" 1
573 1 19 VAL HA 1 22 LEU QD 2.920 . 3.120 1.937 1.873 2.265 . 0 0 "[ . 1 . 2]" 1
574 1 19 VAL MG2 1 48 LYS H 4.250 . 4.450 4.118 3.715 4.313 . 0 0 "[ . 1 . 2]" 1
575 1 19 VAL MG1 1 48 LYS HG3 3.910 . 4.110 2.419 2.269 2.541 . 0 0 "[ . 1 . 2]" 1
576 1 19 VAL HB 1 20 HIS H 3.390 . 3.590 2.357 2.232 2.477 . 0 0 "[ . 1 . 2]" 1
577 1 19 VAL MG1 1 44 VAL HA 3.830 . 4.030 3.201 2.949 3.350 . 0 0 "[ . 1 . 2]" 1
578 1 19 VAL MG1 1 20 HIS HB2 4.720 . 4.920 4.232 4.114 4.367 . 0 0 "[ . 1 . 2]" 1
579 1 19 VAL HA 1 47 ALA MB 4.110 . 4.310 2.482 2.343 2.559 . 0 0 "[ . 1 . 2]" 1
580 1 19 VAL MG1 1 47 ALA MB 2.710 . 2.910 1.861 1.778 1.941 0.022 1 0 "[ . 1 . 2]" 1
581 1 19 VAL MG2 1 48 LYS HE2 4.950 . 5.150 4.733 4.261 5.092 . 0 0 "[ . 1 . 2]" 1
582 1 19 VAL H 1 19 VAL HB 3.180 . 3.380 2.478 2.370 2.532 . 0 0 "[ . 1 . 2]" 1
583 1 19 VAL MG2 1 51 GLU HB2 4.140 . 4.340 2.285 2.116 2.439 . 0 0 "[ . 1 . 2]" 1
584 1 19 VAL MG2 1 47 ALA MB 4.000 . 4.200 3.261 3.053 3.402 . 0 0 "[ . 1 . 2]" 1
585 1 19 VAL HA 1 22 LEU HG 4.000 . 4.200 3.575 3.154 4.473 0.273 1 0 "[ . 1 . 2]" 1
586 1 19 VAL MG1 1 48 LYS H 3.980 . 4.180 3.010 2.720 3.184 . 0 0 "[ . 1 . 2]" 1
587 1 19 VAL MG1 1 47 ALA H 5.240 . 5.440 4.117 3.903 4.252 . 0 0 "[ . 1 . 2]" 1
588 1 19 VAL H 1 20 HIS H 3.200 . 3.400 2.820 2.767 2.869 . 0 0 "[ . 1 . 2]" 1
589 1 19 VAL MG2 1 51 GLU QG 3.450 . 3.650 1.812 1.794 1.834 0.006 8 0 "[ . 1 . 2]" 1
590 1 19 VAL MG2 1 50 VAL HB 5.500 . 5.700 5.605 5.226 5.715 0.015 8 0 "[ . 1 . 2]" 1
591 1 19 VAL MG1 1 23 VAL H 4.090 . 4.290 4.054 3.955 4.161 . 0 0 "[ . 1 . 2]" 1
592 1 19 VAL HA 1 22 LEU HB2 3.580 . 3.780 2.407 2.192 2.627 . 0 0 "[ . 1 . 2]" 1
593 1 19 VAL H 1 21 LYS H 4.500 . 4.700 4.214 4.107 4.316 . 0 0 "[ . 1 . 2]" 1
594 1 19 VAL MG2 1 51 GLU HG2 4.180 . 4.380 3.159 2.569 3.242 . 0 0 "[ . 1 . 2]" 1
595 1 19 VAL HA 1 68 LEU MD1 4.840 . 5.040 4.676 4.561 4.834 . 0 0 "[ . 1 . 2]" 1
596 1 19 VAL MG2 1 48 LYS HG3 4.310 . 4.510 3.539 3.324 3.752 . 0 0 "[ . 1 . 2]" 1
597 1 19 VAL MG1 1 20 HIS HD2 5.500 . 5.700 5.686 5.363 5.760 0.060 15 0 "[ . 1 . 2]" 1
598 1 19 VAL MG1 1 20 HIS HA 3.570 . 3.770 3.268 3.180 3.354 . 0 0 "[ . 1 . 2]" 1
599 1 19 VAL MG1 1 22 LEU H 4.790 . 4.990 4.649 4.564 4.779 . 0 0 "[ . 1 . 2]" 1
600 1 19 VAL MG1 1 20 HIS H 3.630 . 3.830 3.038 2.964 3.127 . 0 0 "[ . 1 . 2]" 1
601 1 19 VAL HB 1 20 HIS HB3 5.500 . 5.700 4.553 4.362 4.845 . 0 0 "[ . 1 . 2]" 1
602 1 19 VAL MG2 1 52 GLY H 4.550 . 4.750 4.613 4.456 4.739 . 0 0 "[ . 1 . 2]" 1
603 1 19 VAL H 1 19 VAL MG2 3.370 . 3.570 2.172 2.068 2.232 . 0 0 "[ . 1 . 2]" 1
604 1 19 VAL HB 1 20 HIS HB2 5.020 . 5.220 4.305 4.125 4.429 . 0 0 "[ . 1 . 2]" 1
605 1 19 VAL MG2 1 48 LYS HG2 4.030 . 4.230 3.046 2.876 3.161 . 0 0 "[ . 1 . 2]" 1
606 1 19 VAL HA 1 22 LEU MD2 4.000 . 4.200 4.296 2.945 4.400 0.200 8 0 "[ . 1 . 2]" 1
607 1 19 VAL HB 1 48 LYS HG3 5.480 . 5.680 4.933 4.718 5.129 . 0 0 "[ . 1 . 2]" 1
608 1 19 VAL HB 1 22 LEU QD 4.570 . 4.770 4.521 4.344 4.661 . 0 0 "[ . 1 . 2]" 1
609 1 19 VAL HA 1 22 LEU HB3 4.000 . 4.200 3.885 3.210 4.155 . 0 0 "[ . 1 . 2]" 1
610 1 19 VAL HA 1 51 GLU HA 5.290 . 5.490 5.484 5.286 5.650 0.160 1 0 "[ . 1 . 2]" 1
611 1 19 VAL MG1 1 51 GLU HG3 5.000 . 5.200 4.074 3.786 4.171 . 0 0 "[ . 1 . 2]" 1
612 1 19 VAL MG2 1 51 GLU HG3 4.180 . 4.380 1.823 1.804 1.845 . 0 0 "[ . 1 . 2]" 1
613 1 19 VAL MG2 1 48 LYS QB 5.000 . 5.200 4.089 3.845 4.224 . 0 0 "[ . 1 . 2]" 1
614 1 19 VAL HB 1 51 GLU QG 4.680 . 4.880 4.170 3.867 4.219 . 0 0 "[ . 1 . 2]" 1
615 1 19 VAL MG2 1 51 GLU H 4.240 . 4.440 3.976 3.661 4.124 . 0 0 "[ . 1 . 2]" 1
616 1 19 VAL MG2 1 51 GLU HB3 4.220 . 4.420 2.579 2.397 2.976 . 0 0 "[ . 1 . 2]" 1
617 1 19 VAL MG1 1 51 GLU HG2 5.000 . 5.200 5.271 3.965 5.373 0.173 6 0 "[ . 1 . 2]" 1
618 1 19 VAL MG2 1 47 ALA HA 4.870 . 5.070 4.691 4.272 4.855 . 0 0 "[ . 1 . 2]" 1
619 1 19 VAL H 1 51 GLU QG 4.470 . 4.670 3.356 3.057 3.580 . 0 0 "[ . 1 . 2]" 1
620 1 19 VAL MG2 1 51 GLU HA 4.260 . 4.460 4.366 4.238 4.464 0.004 12 0 "[ . 1 . 2]" 1
621 1 20 HIS HB3 1 21 LYS QD 5.050 . 5.250 4.618 3.038 4.901 . 0 0 "[ . 1 . 2]" 1
622 1 20 HIS H 1 20 HIS HB2 3.210 . 3.410 2.604 2.458 2.678 . 0 0 "[ . 1 . 2]" 1
623 1 20 HIS H 1 21 LYS H 3.380 . 3.580 2.792 2.723 2.903 . 0 0 "[ . 1 . 2]" 1
624 1 20 HIS HB3 1 21 LYS HA 4.560 . 4.760 4.503 4.346 4.594 . 0 0 "[ . 1 . 2]" 1
625 1 20 HIS H 1 22 LEU H 4.750 . 4.950 4.114 4.023 4.189 . 0 0 "[ . 1 . 2]" 1
626 1 20 HIS HE1 1 21 LYS QD 5.500 . 5.700 5.734 4.986 5.828 0.128 17 0 "[ . 1 . 2]" 1
627 1 20 HIS HA 1 23 VAL MG2 . . 4.200 3.147 2.881 3.396 . 0 0 "[ . 1 . 2]" 1
628 1 20 HIS HA 1 23 VAL HB 3.000 . 3.200 3.059 2.655 3.219 0.019 15 0 "[ . 1 . 2]" 1
629 1 20 HIS HA 1 23 VAL MG1 4.880 . 5.080 4.345 3.817 4.527 . 0 0 "[ . 1 . 2]" 1
630 1 20 HIS HA 1 24 GLN H . . 4.700 4.427 4.250 4.484 . 0 0 "[ . 1 . 2]" 1
631 1 20 HIS HB3 1 21 LYS HG3 4.980 . 5.180 3.806 3.537 5.013 . 0 0 "[ . 1 . 2]" 1
632 1 20 HIS H 1 22 LEU HB2 5.500 . 5.700 4.778 4.443 4.993 . 0 0 "[ . 1 . 2]" 1
633 1 20 HIS H 1 20 HIS HD2 5.260 . 5.460 5.137 5.022 5.209 . 0 0 "[ . 1 . 2]" 1
634 1 20 HIS HB3 1 21 LYS H 3.630 . 3.830 2.504 2.316 2.623 . 0 0 "[ . 1 . 2]" 1
635 1 20 HIS HB3 1 24 GLN QG 5.340 . 5.540 5.186 4.870 5.559 0.019 7 0 "[ . 1 . 2]" 1
636 1 20 HIS HA 1 20 HIS HD2 4.180 . 4.380 3.084 2.917 3.556 . 0 0 "[ . 1 . 2]" 1
637 1 20 HIS HA 1 23 VAL QG 4.080 . 4.280 3.076 2.801 3.304 . 0 0 "[ . 1 . 2]" 1
638 1 20 HIS HA 1 44 VAL QG 4.470 . 4.670 3.552 3.282 3.839 . 0 0 "[ . 1 . 2]" 1
639 1 20 HIS HB2 1 21 LYS HA 5.480 . 5.680 5.617 5.573 5.683 0.003 1 0 "[ . 1 . 2]" 1
640 1 20 HIS H 1 21 LYS HB2 5.120 . 5.320 4.753 4.642 4.984 . 0 0 "[ . 1 . 2]" 1
641 1 20 HIS H 1 47 ALA MB 5.500 . 5.700 4.555 4.417 4.666 . 0 0 "[ . 1 . 2]" 1
642 1 20 HIS H 1 20 HIS HB3 3.340 . 3.540 2.327 2.244 2.484 . 0 0 "[ . 1 . 2]" 1
643 1 20 HIS HE1 1 21 LYS QE 5.500 . 5.700 4.951 4.149 5.770 0.070 3 0 "[ . 1 . 2]" 1
644 1 20 HIS HE1 1 21 LYS HA 5.500 . 5.700 4.994 4.680 5.535 . 0 0 "[ . 1 . 2]" 1
645 1 20 HIS HA 1 23 VAL H 3.880 . 4.080 3.683 3.524 3.814 . 0 0 "[ . 1 . 2]" 1
646 1 21 LYS QB 2 49 LEU QD 3.300 . 3.500 2.139 1.894 2.395 . 0 0 "[ . 1 . 2]" 1
647 1 21 LYS HA 1 21 LYS QE 5.020 . 5.220 4.638 4.171 4.816 . 0 0 "[ . 1 . 2]" 1
648 1 21 LYS HG2 1 72 ILE MG 5.380 . 5.580 5.606 4.979 5.691 0.111 18 0 "[ . 1 . 2]" 1
649 1 21 LYS QD 1 72 ILE MD 4.850 . 5.050 3.747 3.476 4.285 . 0 0 "[ . 1 . 2]" 1
650 1 21 LYS HG2 1 22 LEU H 5.500 . 5.700 5.100 5.005 5.280 . 0 0 "[ . 1 . 2]" 1
651 1 21 LYS HA 1 21 LYS HG3 3.800 . 4.000 2.505 2.299 2.635 . 0 0 "[ . 1 . 2]" 1
652 1 21 LYS HA 1 24 GLN QE 5.340 . 5.540 4.476 3.117 5.423 . 0 0 "[ . 1 . 2]" 1
653 1 21 LYS HB2 1 72 ILE MD 3.640 . 3.840 3.237 2.894 3.485 . 0 0 "[ . 1 . 2]" 1
654 1 21 LYS H 1 72 ILE MD 4.610 . 4.810 4.526 4.396 4.690 . 0 0 "[ . 1 . 2]" 1
655 1 21 LYS HB3 1 72 ILE MG 3.910 . 4.110 3.987 3.916 4.097 . 0 0 "[ . 1 . 2]" 1
656 1 21 LYS QE 2 45 ILE QG 4.330 . 4.530 2.842 1.894 4.232 . 0 0 "[ . 1 . 2]" 1
657 1 21 LYS HA 1 21 LYS HG2 3.810 . 4.010 2.571 2.402 3.530 . 0 0 "[ . 1 . 2]" 1
658 1 21 LYS HB3 1 21 LYS QE 4.890 . 5.090 4.077 3.814 4.390 . 0 0 "[ . 1 . 2]" 1
659 1 21 LYS QG 2 49 LEU QD 3.050 . 3.250 3.029 2.368 3.275 0.025 5 0 "[ . 1 . 2]" 1
660 1 21 LYS QG 2 45 ILE MD 4.210 . 4.410 4.026 3.550 4.464 0.054 18 0 "[ . 1 . 2]" 1
661 1 21 LYS QE 2 45 ILE MG 3.920 . 4.120 3.112 1.926 4.136 0.016 10 0 "[ . 1 . 2]" 1
662 1 21 LYS HB3 1 24 GLN QG 5.340 . 5.540 5.133 4.418 5.549 0.009 13 0 "[ . 1 . 2]" 1
663 1 21 LYS HB2 1 21 LYS QE 4.300 . 4.500 4.017 3.866 4.120 . 0 0 "[ . 1 . 2]" 1
664 1 21 LYS H 1 21 LYS HB3 3.680 . 3.880 3.532 3.489 3.661 . 0 0 "[ . 1 . 2]" 1
665 1 21 LYS HG2 1 72 ILE MD 4.240 . 4.440 3.840 3.560 4.035 . 0 0 "[ . 1 . 2]" 1
666 1 21 LYS H 1 22 LEU QD 5.440 . 5.640 4.874 3.908 5.160 . 0 0 "[ . 1 . 2]" 1
667 1 21 LYS HB2 1 72 ILE MG 4.690 . 4.890 4.689 4.457 4.904 0.014 3 0 "[ . 1 . 2]" 1
668 1 21 LYS H 1 21 LYS HB2 3.150 . 3.350 2.254 2.190 2.447 . 0 0 "[ . 1 . 2]" 1
669 1 21 LYS QE 2 49 LEU QD 4.620 . 4.820 3.120 2.056 3.788 . 0 0 "[ . 1 . 2]" 1
670 1 21 LYS HB2 1 22 LEU H 3.580 . 3.780 2.856 2.740 3.016 . 0 0 "[ . 1 . 2]" 1
671 1 21 LYS HB3 1 72 ILE MD 4.050 . 4.250 2.279 2.075 2.457 . 0 0 "[ . 1 . 2]" 1
672 1 21 LYS HA 1 21 LYS QD 3.950 . 4.150 3.913 3.151 4.004 . 0 0 "[ . 1 . 2]" 1
673 1 21 LYS HG3 2 49 LEU MD2 5.450 . 5.650 4.453 3.666 5.503 . 0 0 "[ . 1 . 2]" 1
674 1 21 LYS HG2 2 49 LEU MD2 5.450 . 5.650 3.650 2.414 5.167 . 0 0 "[ . 1 . 2]" 1
675 1 21 LYS HB2 1 21 LYS QD 3.450 . 3.650 2.312 2.204 2.411 . 0 0 "[ . 1 . 2]" 1
676 1 21 LYS QD 2 49 LEU QD 3.570 . 3.770 2.010 1.746 2.381 0.054 6 0 "[ . 1 . 2]" 1
677 1 21 LYS HG2 2 49 LEU MD1 5.450 . 5.650 4.245 2.946 5.436 . 0 0 "[ . 1 . 2]" 1
678 1 21 LYS HG3 2 49 LEU MD1 5.450 . 5.650 4.773 4.006 5.456 . 0 0 "[ . 1 . 2]" 1
679 1 21 LYS HG2 1 25 ALA MB 5.430 . 5.630 5.667 5.573 5.734 0.104 7 0 "[ . 1 . 2]" 1
680 1 21 LYS H 1 21 LYS QD 3.830 . 4.030 3.526 2.343 3.740 . 0 0 "[ . 1 . 2]" 1
681 1 21 LYS QB 2 45 ILE MD 4.620 . 4.820 4.027 3.558 4.914 0.094 15 0 "[ . 1 . 2]" 1
682 1 21 LYS HB3 1 22 LEU H 4.640 . 4.840 3.469 3.307 3.577 . 0 0 "[ . 1 . 2]" 1
683 1 21 LYS HG3 1 24 GLN QG 4.550 . 4.750 4.447 3.640 4.815 0.065 18 0 "[ . 1 . 2]" 1
684 1 21 LYS HG2 1 24 GLN QG 5.340 . 5.540 4.626 3.982 5.108 . 0 0 "[ . 1 . 2]" 1
685 1 21 LYS HG2 1 24 GLN HG3 5.000 . 5.200 4.800 4.104 5.275 0.075 1 0 "[ . 1 . 2]" 1
686 1 21 LYS HA 1 24 GLN QG 2.990 . 3.190 2.765 2.069 3.220 0.030 18 0 "[ . 1 . 2]" 1
687 1 22 LEU H 1 22 LEU HG 3.890 . 4.090 2.775 2.440 3.726 . 0 0 "[ . 1 . 2]" 1
688 1 22 LEU HB3 1 47 ALA HA 4.480 . 4.680 3.101 2.875 3.330 . 0 0 "[ . 1 . 2]" 1
689 1 22 LEU HA 1 22 LEU HG 3.550 . 3.750 2.743 2.355 2.988 . 0 0 "[ . 1 . 2]" 1
690 1 22 LEU MD1 1 68 LEU MD2 4.710 . 4.910 3.128 3.034 3.485 . 0 0 "[ . 1 . 2]" 1
691 1 22 LEU HB2 1 22 LEU QD 2.740 . 2.940 2.214 2.118 2.250 . 0 0 "[ . 1 . 2]" 1
692 1 22 LEU HA 1 72 ILE MD 3.600 . 3.800 2.190 1.973 2.391 . 0 0 "[ . 1 . 2]" 1
693 1 22 LEU HG 1 68 LEU MD1 3.560 . 3.760 2.665 2.441 3.779 0.019 1 0 "[ . 1 . 2]" 1
694 1 22 LEU MD1 1 68 LEU HB2 4.280 . 4.480 3.301 3.097 3.571 . 0 0 "[ . 1 . 2]" 1
695 1 22 LEU MD2 1 68 LEU HB2 4.280 . 4.480 3.165 2.875 4.237 . 0 0 "[ . 1 . 2]" 1
696 1 22 LEU HB3 1 72 ILE MD 4.260 . 4.460 4.365 4.060 4.513 0.053 20 0 "[ . 1 . 2]" 1
697 1 22 LEU HA 1 25 ALA MB 3.160 . 3.360 3.048 2.653 3.230 . 0 0 "[ . 1 . 2]" 1
698 1 22 LEU H 1 25 ALA H 4.870 . 5.070 4.876 4.697 4.992 . 0 0 "[ . 1 . 2]" 1
699 1 22 LEU QD 1 50 VAL QG 3.820 . 4.020 2.371 2.173 2.560 . 0 0 "[ . 1 . 2]" 1
700 1 22 LEU MD2 1 47 ALA HA 4.000 . 4.200 3.737 2.209 4.201 0.001 15 0 "[ . 1 . 2]" 1
701 1 22 LEU HB2 1 23 VAL HB 4.920 . 5.120 4.955 4.762 5.149 0.029 2 0 "[ . 1 . 2]" 1
702 1 22 LEU QD 1 47 ALA HA 3.350 . 3.550 2.683 2.201 2.841 . 0 0 "[ . 1 . 2]" 1
703 1 22 LEU HB2 1 22 LEU HG 2.970 . 3.170 2.601 2.524 2.981 . 0 0 "[ . 1 . 2]" 1
704 1 22 LEU QD 1 51 GLU HA 3.450 . 3.650 2.966 2.671 3.404 . 0 0 "[ . 1 . 2]" 1
705 1 22 LEU QD 1 68 LEU MD1 2.880 . 3.080 2.137 1.982 2.525 . 0 0 "[ . 1 . 2]" 1
706 1 22 LEU HA 1 25 ALA H 3.950 . 4.150 3.611 3.318 3.830 . 0 0 "[ . 1 . 2]" 1
707 1 22 LEU QD 1 46 TYR QD 4.680 . 4.880 4.189 3.518 4.406 . 0 0 "[ . 1 . 2]" 1
708 1 22 LEU HA 1 22 LEU QD 2.950 . 3.150 2.152 2.030 2.682 . 0 0 "[ . 1 . 2]" 1
709 1 22 LEU HB2 1 22 LEU MD2 3.160 . 3.360 3.091 2.501 3.150 . 0 0 "[ . 1 . 2]" 1
710 1 22 LEU MD2 1 71 LYS QE 4.800 . 5.000 2.457 2.030 3.274 . 0 0 "[ . 1 . 2]" 1
711 1 22 LEU H 1 22 LEU QD 3.890 . 4.090 3.212 2.211 3.476 . 0 0 "[ . 1 . 2]" 1
712 1 22 LEU QD 1 50 VAL HB 3.630 . 3.830 2.859 2.486 3.028 . 0 0 "[ . 1 . 2]" 1
713 1 22 LEU H 1 22 LEU HB2 3.570 . 3.770 2.327 1.964 2.454 . 0 0 "[ . 1 . 2]" 1
714 1 22 LEU QD 1 68 LEU MD2 3.680 . 3.880 3.024 2.921 3.339 . 0 0 "[ . 1 . 2]" 1
715 1 22 LEU QD 1 51 GLU H 4.580 . 4.780 3.018 2.817 3.162 . 0 0 "[ . 1 . 2]" 1
716 1 22 LEU HB3 1 26 ILE H 5.130 . 5.330 4.811 4.400 4.979 . 0 0 "[ . 1 . 2]" 1
717 1 22 LEU MD2 1 50 VAL HB 4.000 . 4.200 3.714 2.493 4.207 0.007 11 0 "[ . 1 . 2]" 1
718 1 22 LEU HB2 1 47 ALA HA 5.010 . 5.210 3.692 3.278 4.524 . 0 0 "[ . 1 . 2]" 1
719 1 22 LEU QD 1 46 TYR HE1 5.440 . 5.640 3.339 2.657 5.744 0.104 15 0 "[ . 1 . 2]" 1
720 1 22 LEU HB3 1 47 ALA H 5.470 . 5.670 5.161 4.870 5.340 . 0 0 "[ . 1 . 2]" 1
721 1 22 LEU HB2 1 22 LEU MD1 3.160 . 3.360 2.272 2.216 2.304 . 0 0 "[ . 1 . 2]" 1
722 1 22 LEU MD2 1 51 GLU HB2 4.750 . 4.950 4.505 4.014 4.787 . 0 0 "[ . 1 . 2]" 1
723 1 22 LEU HA 1 26 ILE H 3.870 . 4.070 3.991 3.804 4.084 0.014 17 0 "[ . 1 . 2]" 1
724 1 22 LEU MD2 1 68 LEU MD2 4.710 . 4.910 4.049 3.805 4.835 . 0 0 "[ . 1 . 2]" 1
725 1 22 LEU MD2 1 51 GLU HA 4.630 . 4.830 4.559 3.561 4.787 . 0 0 "[ . 1 . 2]" 1
726 1 22 LEU MD1 1 51 GLU HB2 4.750 . 4.950 2.383 2.092 4.622 . 0 0 "[ . 1 . 2]" 1
727 1 22 LEU MD1 1 68 LEU HA 5.000 . 5.200 5.144 4.985 5.222 0.022 19 0 "[ . 1 . 2]" 1
728 1 22 LEU QD 1 68 LEU HA 5.110 . 5.310 4.072 3.809 4.646 . 0 0 "[ . 1 . 2]" 1
729 1 22 LEU H 1 22 LEU MD1 4.430 . 4.630 3.514 2.219 3.689 . 0 0 "[ . 1 . 2]" 1
730 1 22 LEU MD1 1 71 LYS QE 4.800 . 5.000 3.957 3.261 4.988 . 0 0 "[ . 1 . 2]" 1
731 1 22 LEU HG 1 72 ILE MG 3.950 . 4.150 4.232 4.163 4.276 0.126 1 0 "[ . 1 . 2]" 1
732 1 22 LEU HB3 1 22 LEU MD1 3.250 . 3.450 2.487 2.404 3.161 . 0 0 "[ . 1 . 2]" 1
733 1 22 LEU MD1 1 51 GLU HA 4.630 . 4.830 3.045 2.696 4.325 . 0 0 "[ . 1 . 2]" 1
734 1 22 LEU HA 1 26 ILE HB 4.920 . 5.120 4.650 4.375 5.124 0.004 10 0 "[ . 1 . 2]" 1
735 1 22 LEU HA 1 72 ILE QG 3.020 . 3.220 2.768 2.507 2.983 . 0 0 "[ . 1 . 2]" 1
736 1 22 LEU QD 1 72 ILE MD 3.580 . 3.780 2.788 2.117 3.554 . 0 0 "[ . 1 . 2]" 1
737 1 22 LEU HA 1 72 ILE HA 5.370 . 5.570 4.774 4.566 5.097 . 0 0 "[ . 1 . 2]" 1
738 1 22 LEU HB2 1 72 ILE MD 5.000 . 5.200 4.297 3.951 4.505 . 0 0 "[ . 1 . 2]" 1
739 1 22 LEU MD2 1 68 LEU HA 5.000 . 5.200 4.294 3.952 5.259 0.059 1 0 "[ . 1 . 2]" 1
740 1 22 LEU HB2 1 23 VAL H 3.720 . 3.920 2.533 2.435 2.839 . 0 0 "[ . 1 . 2]" 1
741 1 22 LEU HB3 1 22 LEU MD2 3.250 . 3.450 2.199 2.116 2.272 . 0 0 "[ . 1 . 2]" 1
742 1 22 LEU QD 1 51 GLU QG 3.740 . 3.940 2.941 1.890 3.154 . 0 0 "[ . 1 . 2]" 1
743 1 22 LEU HA 1 23 VAL HA 4.850 . 5.050 4.860 4.718 4.940 . 0 0 "[ . 1 . 2]" 1
744 1 22 LEU H 1 23 VAL HB 5.010 . 5.210 4.852 4.556 5.013 . 0 0 "[ . 1 . 2]" 1
745 1 22 LEU QD 1 51 GLU HB2 3.790 . 3.990 2.336 2.088 3.782 . 0 0 "[ . 1 . 2]" 1
746 1 22 LEU HB3 1 23 VAL HA 4.720 . 4.920 4.192 3.815 4.510 . 0 0 "[ . 1 . 2]" 1
747 1 22 LEU HA 1 22 LEU MD2 3.770 . 3.970 2.211 2.037 3.638 . 0 0 "[ . 1 . 2]" 1
748 1 22 LEU H 1 72 ILE MD 4.890 . 5.090 3.113 2.987 3.215 . 0 0 "[ . 1 . 2]" 1
749 1 22 LEU HG 1 23 VAL H 5.150 . 5.350 4.632 4.403 4.913 . 0 0 "[ . 1 . 2]" 1
750 1 22 LEU MD1 1 47 ALA HA 4.000 . 4.200 2.865 2.684 4.256 0.056 1 0 "[ . 1 . 2]" 1
751 1 22 LEU QD 1 71 LYS QE 3.650 . 3.850 2.433 2.015 3.233 . 0 0 "[ . 1 . 2]" 1
752 1 22 LEU HA 1 22 LEU MD1 3.770 . 3.970 3.793 2.761 3.888 . 0 0 "[ . 1 . 2]" 1
753 1 22 LEU H 1 22 LEU MD2 4.430 . 4.630 3.807 3.528 4.246 . 0 0 "[ . 1 . 2]" 1
754 1 22 LEU QD 1 72 ILE HA 5.030 . 5.230 3.806 3.494 4.707 . 0 0 "[ . 1 . 2]" 1
755 1 22 LEU HB3 1 23 VAL H 3.800 . 4.000 3.141 2.454 3.425 . 0 0 "[ . 1 . 2]" 1
756 1 22 LEU HA 1 72 ILE MG 4.290 . 4.490 4.220 4.109 4.434 . 0 0 "[ . 1 . 2]" 1
757 1 22 LEU HG 1 72 ILE MD 4.900 . 5.100 3.137 2.837 3.366 . 0 0 "[ . 1 . 2]" 1
758 1 23 VAL H 1 23 VAL HB 3.330 . 3.530 2.512 2.404 2.585 . 0 0 "[ . 1 . 2]" 1
759 1 23 VAL HB 1 40 MET ME 4.180 . 4.380 3.211 2.699 3.717 . 0 0 "[ . 1 . 2]" 1
760 1 23 VAL HA 1 27 PHE QD 5.110 . 5.310 3.314 2.271 5.333 0.023 1 0 "[ . 1 . 2]" 1
761 1 23 VAL QG 1 43 LEU HA 4.430 . 4.630 3.330 3.143 3.761 . 0 0 "[ . 1 . 2]" 1
762 1 23 VAL MG2 1 27 PHE QD 5.000 . 5.200 3.694 2.751 5.265 0.065 1 0 "[ . 1 . 2]" 1
763 1 23 VAL QG 1 40 MET ME 2.930 . 3.130 1.753 1.688 1.799 0.112 10 0 "[ . 1 . 2]" 1
764 1 23 VAL MG2 1 27 PHE HB3 5.000 . 5.200 5.183 4.675 5.297 0.097 13 0 "[ . 1 . 2]" 1
765 1 23 VAL H 1 23 VAL MG2 3.890 . 4.090 2.228 2.146 2.299 . 0 0 "[ . 1 . 2]" 1
766 1 23 VAL QG 1 27 PHE HB2 4.110 . 4.310 2.464 2.074 3.765 . 0 0 "[ . 1 . 2]" 1
767 1 23 VAL HA 1 23 VAL QG 2.790 . 2.990 2.101 2.034 2.124 . 0 0 "[ . 1 . 2]" 1
768 1 23 VAL HA 1 26 ILE H 4.160 . 4.360 3.497 3.270 3.598 . 0 0 "[ . 1 . 2]" 1
769 1 23 VAL HA 1 23 VAL MG2 3.240 . 3.440 2.291 2.244 2.343 . 0 0 "[ . 1 . 2]" 1
770 1 23 VAL HA 1 26 ILE MG 3.830 . 4.030 1.895 1.785 1.946 0.015 1 0 "[ . 1 . 2]" 1
771 1 23 VAL HA 1 23 VAL MG1 3.240 . 3.440 2.449 2.296 2.567 . 0 0 "[ . 1 . 2]" 1
772 1 23 VAL HB 1 26 ILE MG 4.680 . 4.880 4.425 4.329 4.471 . 0 0 "[ . 1 . 2]" 1
773 1 23 VAL MG2 1 27 PHE HB2 5.000 . 5.200 4.231 4.029 5.177 . 0 0 "[ . 1 . 2]" 1
774 1 23 VAL H 1 23 VAL QG 2.980 . 3.180 2.213 2.134 2.280 . 0 0 "[ . 1 . 2]" 1
775 1 23 VAL QG 1 26 ILE H 5.110 . 5.310 4.359 4.210 4.447 . 0 0 "[ . 1 . 2]" 1
776 1 23 VAL HA 1 26 ILE HB 4.000 . 4.200 4.257 4.134 4.320 0.120 2 0 "[ . 1 . 2]" 1
777 1 23 VAL QG 1 43 LEU HB3 4.730 . 4.930 1.912 1.793 2.075 0.007 7 0 "[ . 1 . 2]" 1
778 1 23 VAL HA 1 43 LEU HB2 5.300 . 5.500 5.042 4.474 5.553 0.053 20 0 "[ . 1 . 2]" 1
779 1 23 VAL QG 1 44 VAL HA 3.110 . 3.310 2.214 2.065 2.596 . 0 0 "[ . 1 . 2]" 1
780 1 23 VAL HA 1 24 GLN HA 5.500 . 5.700 4.752 4.597 4.836 . 0 0 "[ . 1 . 2]" 1
781 1 23 VAL HB 1 44 VAL QG 4.160 . 4.360 4.318 3.775 4.444 0.084 16 0 "[ . 1 . 2]" 1
782 1 23 VAL H 1 23 VAL MG1 3.890 . 4.090 3.780 3.727 3.809 . 0 0 "[ . 1 . 2]" 1
783 1 23 VAL QG 1 43 LEU HB2 3.590 . 3.790 2.492 2.214 2.841 . 0 0 "[ . 1 . 2]" 1
784 1 23 VAL HB 1 43 LEU HB2 5.500 . 5.700 5.050 4.696 5.495 . 0 0 "[ . 1 . 2]" 1
785 1 23 VAL MG1 1 43 LEU HA 5.210 . 5.410 3.901 3.645 4.627 . 0 0 "[ . 1 . 2]" 1
786 1 23 VAL HA 1 43 LEU MD1 5.000 . 5.200 4.884 3.978 5.352 0.152 16 0 "[ . 1 . 2]" 1
787 1 23 VAL HA 1 43 LEU MD2 5.000 . 5.200 5.020 4.367 5.301 0.101 19 0 "[ . 1 . 2]" 1
788 1 23 VAL MG2 1 43 LEU HA 5.210 . 5.410 3.618 3.397 3.980 . 0 0 "[ . 1 . 2]" 1
789 1 23 VAL HA 1 26 ILE MD 4.000 . 4.200 4.295 4.256 4.331 0.131 13 0 "[ . 1 . 2]" 1
790 1 23 VAL HA 1 43 LEU HA 4.690 . 4.890 4.887 4.520 5.005 0.115 12 0 "[ . 1 . 2]" 1
791 1 23 VAL MG1 1 47 ALA MB 5.000 . 5.200 4.089 3.983 4.239 . 0 0 "[ . 1 . 2]" 1
792 1 23 VAL QG 1 40 MET HA 4.350 . 4.550 3.777 3.449 4.047 . 0 0 "[ . 1 . 2]" 1
793 1 23 VAL MG1 1 40 MET ME 3.650 . 3.850 1.806 1.772 1.835 0.028 19 0 "[ . 1 . 2]" 1
794 1 23 VAL QG 1 47 ALA HA 5.220 . 5.420 4.113 3.980 4.334 . 0 0 "[ . 1 . 2]" 1
795 1 23 VAL HA 1 27 PHE H 4.160 . 4.360 3.466 3.313 3.713 . 0 0 "[ . 1 . 2]" 1
796 1 23 VAL HA 1 40 MET ME 5.150 . 5.350 4.812 4.425 5.047 . 0 0 "[ . 1 . 2]" 1
797 1 23 VAL MG2 1 40 MET HA 5.500 . 5.700 4.635 4.291 4.925 . 0 0 "[ . 1 . 2]" 1
798 1 23 VAL MG2 1 40 MET ME 3.650 . 3.850 2.418 2.047 2.856 . 0 0 "[ . 1 . 2]" 1
799 1 23 VAL H 1 40 MET ME 5.500 . 5.700 5.213 4.764 5.619 . 0 0 "[ . 1 . 2]" 1
800 1 23 VAL QG 1 46 TYR QD 5.320 . 5.520 3.749 3.625 4.086 . 0 0 "[ . 1 . 2]" 1
801 1 23 VAL MG1 1 40 MET HA 5.500 . 5.700 4.005 3.634 4.303 . 0 0 "[ . 1 . 2]" 1
802 1 23 VAL QG 1 27 PHE HB3 4.560 . 4.760 3.141 2.461 3.361 . 0 0 "[ . 1 . 2]" 1
803 1 23 VAL QG 1 47 ALA MB 2.910 . 3.110 1.973 1.884 2.117 . 0 0 "[ . 1 . 2]" 1
804 1 23 VAL QG 1 47 ALA H 3.990 . 4.190 3.404 3.257 3.708 . 0 0 "[ . 1 . 2]" 1
805 1 23 VAL H 1 47 ALA MB 4.020 . 4.220 2.852 2.759 2.984 . 0 0 "[ . 1 . 2]" 1
806 1 23 VAL HB 1 47 ALA MB 3.880 . 4.080 4.008 3.912 4.148 0.068 1 0 "[ . 1 . 2]" 1
807 1 23 VAL HB 1 24 GLN HA 5.500 . 5.700 4.257 4.112 4.401 . 0 0 "[ . 1 . 2]" 1
808 1 23 VAL H 1 25 ALA H 4.770 . 4.970 4.298 4.141 4.391 . 0 0 "[ . 1 . 2]" 1
809 1 23 VAL QG 1 24 GLN HA 3.390 . 3.590 2.974 2.826 3.266 . 0 0 "[ . 1 . 2]" 1
810 1 23 VAL HA 1 25 ALA H . . 4.700 4.360 4.209 4.437 . 0 0 "[ . 1 . 2]" 1
811 1 23 VAL QG 1 24 GLN H 3.740 . 3.940 2.951 2.860 3.090 . 0 0 "[ . 1 . 2]" 1
812 1 23 VAL QG 1 35 LEU QB 3.930 . 4.130 4.046 3.059 4.205 0.075 6 0 "[ . 1 . 2]" 1
813 1 23 VAL QG 1 24 GLN QG 4.460 . 4.660 3.316 2.842 3.531 . 0 0 "[ . 1 . 2]" 1
814 1 23 VAL HA 1 27 PHE HB2 4.630 . 4.830 3.419 3.153 4.477 . 0 0 "[ . 1 . 2]" 1
815 1 23 VAL QG 1 25 ALA H 4.960 . 5.160 4.443 4.335 4.521 . 0 0 "[ . 1 . 2]" 1
816 1 23 VAL H 1 26 ILE H 5.390 . 5.590 4.699 4.568 4.778 . 0 0 "[ . 1 . 2]" 1
817 1 23 VAL H 1 26 ILE HB 5.500 . 5.700 5.670 5.553 5.815 0.115 10 0 "[ . 1 . 2]" 1
818 1 24 GLN HA 1 27 PHE HB3 4.950 . 5.150 4.912 3.700 5.236 0.086 6 0 "[ . 1 . 2]" 1
819 1 24 GLN HE22 1 29 THR MG 4.990 . 5.190 4.359 1.862 5.201 0.011 6 0 "[ . 1 . 2]" 1
820 1 24 GLN QG 1 29 THR MG 5.340 . 5.540 3.107 2.127 4.440 . 0 0 "[ . 1 . 2]" 1
821 1 24 GLN HA 1 27 PHE H 3.870 . 4.070 3.901 3.454 4.060 . 0 0 "[ . 1 . 2]" 1
822 1 24 GLN QG 1 25 ALA H 4.280 . 4.480 4.188 3.974 4.397 . 0 0 "[ . 1 . 2]" 1
823 1 24 GLN HE21 1 29 THR MG 4.990 . 5.190 3.460 2.249 5.069 . 0 0 "[ . 1 . 2]" 1
824 1 24 GLN QB 1 29 THR MG 5.500 . 5.700 3.834 2.960 4.612 . 0 0 "[ . 1 . 2]" 1
825 1 24 GLN H 1 25 ALA H 3.280 . 3.480 2.838 2.655 2.907 . 0 0 "[ . 1 . 2]" 1
826 1 24 GLN H 1 26 ILE MG 4.580 . 4.780 4.308 4.177 4.353 . 0 0 "[ . 1 . 2]" 1
827 1 24 GLN HA 1 24 GLN HE22 5.500 . 5.700 5.548 3.404 5.832 0.132 1 0 "[ . 1 . 2]" 1
828 1 24 GLN QE 1 32 PRO HA 5.340 . 5.540 4.988 4.269 5.666 0.126 18 0 "[ . 1 . 2]" 1
829 1 24 GLN H 1 25 ALA MB 4.430 . 4.630 4.488 4.356 4.556 . 0 0 "[ . 1 . 2]" 1
830 1 24 GLN QB 1 25 ALA HA 4.580 . 4.780 4.005 3.896 4.142 . 0 0 "[ . 1 . 2]" 1
831 1 24 GLN H 1 24 GLN HG3 3.600 . 3.800 2.361 2.144 3.405 . 0 0 "[ . 1 . 2]" 1
832 1 24 GLN HA 1 40 MET ME 5.500 . 5.700 5.407 5.140 5.580 . 0 0 "[ . 1 . 2]" 1
833 1 24 GLN HA 1 24 GLN QG 3.160 . 3.360 2.390 2.184 2.676 . 0 0 "[ . 1 . 2]" 1
834 1 24 GLN QB 1 25 ALA MB 4.160 . 4.360 3.785 3.582 4.051 . 0 0 "[ . 1 . 2]" 1
835 1 24 GLN HA 1 28 PRO HA 4.000 . 4.200 3.851 3.235 4.237 0.037 1 0 "[ . 1 . 2]" 1
836 1 24 GLN HA 1 24 GLN HG2 3.960 . 4.160 2.473 2.242 2.738 . 0 0 "[ . 1 . 2]" 1
837 1 24 GLN H 1 24 GLN HG2 3.600 . 3.800 3.257 2.268 3.561 . 0 0 "[ . 1 . 2]" 1
838 1 24 GLN HA 1 28 PRO QD 5.500 . 5.700 5.482 4.845 5.740 0.040 2 0 "[ . 1 . 2]" 1
839 1 24 GLN QB 1 25 ALA H 3.370 . 3.570 2.774 2.582 2.987 . 0 0 "[ . 1 . 2]" 1
840 1 24 GLN QB 1 26 ILE H 5.500 . 5.700 4.911 4.775 5.023 . 0 0 "[ . 1 . 2]" 1
841 1 24 GLN QG 1 35 LEU QD 4.120 . 4.320 2.490 2.219 2.966 . 0 0 "[ . 1 . 2]" 1
842 1 24 GLN QB 1 35 LEU QD 3.810 . 4.010 3.996 3.608 4.080 0.070 14 0 "[ . 1 . 2]" 1
843 1 24 GLN HA 1 24 GLN HG3 3.960 . 4.160 3.181 2.935 3.768 . 0 0 "[ . 1 . 2]" 1
844 1 24 GLN QG 1 35 LEU QB 4.590 . 4.790 4.638 3.786 4.832 0.042 10 0 "[ . 1 . 2]" 1
845 1 24 GLN H 1 24 GLN QG 3.140 . 3.340 2.262 2.121 2.583 . 0 0 "[ . 1 . 2]" 1
846 1 24 GLN H 1 24 GLN QB 3.060 . 3.260 2.520 2.388 2.618 . 0 0 "[ . 1 . 2]" 1
847 1 24 GLN QG 1 72 ILE MD 5.340 . 5.540 5.144 4.807 5.488 . 0 0 "[ . 1 . 2]" 1
848 1 24 GLN QB 1 28 PRO HA 5.000 . 5.200 4.505 3.821 4.900 . 0 0 "[ . 1 . 2]" 1
849 1 24 GLN QB 1 29 THR H 4.620 . 4.820 4.352 3.650 4.867 0.047 15 0 "[ . 1 . 2]" 1
850 1 24 GLN H 1 26 ILE H 4.570 . 4.770 4.338 4.191 4.402 . 0 0 "[ . 1 . 2]" 1
851 1 24 GLN HA 1 24 GLN HE21 5.500 . 5.700 4.364 1.785 5.118 0.015 15 0 "[ . 1 . 2]" 1
852 1 24 GLN HA 1 29 THR H 4.420 . 4.620 3.418 2.756 4.050 . 0 0 "[ . 1 . 2]" 1
853 1 24 GLN HA 1 29 THR MG 3.980 . 4.180 3.542 2.695 4.269 0.089 10 0 "[ . 1 . 2]" 1
854 1 25 ALA MB 1 75 ILE HB . . 4.750 3.467 3.191 3.777 . 0 0 "[ . 1 . 2]" 1
855 1 25 ALA MB 1 76 GLN HE22 4.990 . 5.190 2.994 2.315 3.491 . 0 0 "[ . 1 . 2]" 1
856 1 25 ALA HA 1 28 PRO QD 5.120 . 5.320 4.526 3.897 4.948 . 0 0 "[ . 1 . 2]" 1
857 1 25 ALA MB 1 75 ILE MG 3.440 . 3.640 1.922 1.823 2.104 . 0 0 "[ . 1 . 2]" 1
858 1 25 ALA MB 1 76 GLN HB2 4.500 . 4.700 4.430 4.258 4.675 . 0 0 "[ . 1 . 2]" 1
859 1 25 ALA HA 1 76 GLN HG3 5.010 . 5.210 4.701 4.232 5.188 . 0 0 "[ . 1 . 2]" 1
860 1 25 ALA HA 1 28 PRO HA 5.410 . 5.610 4.596 4.083 5.122 . 0 0 "[ . 1 . 2]" 1
861 1 25 ALA MB 1 26 ILE HA 3.960 . 4.160 3.726 3.648 3.848 . 0 0 "[ . 1 . 2]" 1
862 1 25 ALA HA 1 75 ILE MG 4.570 . 4.770 3.485 3.185 3.809 . 0 0 "[ . 1 . 2]" 1
863 1 25 ALA HA 1 76 GLN HA 4.230 . 4.430 3.944 3.490 4.270 . 0 0 "[ . 1 . 2]" 1
864 1 25 ALA HA 1 76 GLN HE21 4.960 . 5.160 4.319 3.587 4.832 . 0 0 "[ . 1 . 2]" 1
865 1 25 ALA MB 2 49 LEU MD2 5.500 . 5.700 4.779 4.216 5.811 0.111 1 0 "[ . 1 . 2]" 1
866 1 25 ALA HA 1 26 ILE MG 5.500 . 5.700 5.202 5.154 5.244 . 0 0 "[ . 1 . 2]" 1
867 1 25 ALA MB 1 72 ILE HA 3.780 . 3.980 3.270 3.102 3.435 . 0 0 "[ . 1 . 2]" 1
868 1 25 ALA HA 1 72 ILE MD 4.770 . 4.970 4.418 4.272 4.535 . 0 0 "[ . 1 . 2]" 1
869 1 25 ALA MB 1 72 ILE HB 4.710 . 4.910 3.840 3.685 4.029 . 0 0 "[ . 1 . 2]" 1
870 1 25 ALA MB 1 72 ILE QG 2.560 . 2.760 1.812 1.771 1.878 0.029 10 0 "[ . 1 . 2]" 1
871 1 25 ALA MB 1 76 GLN HE21 4.720 . 4.920 2.438 1.783 3.135 0.017 20 0 "[ . 1 . 2]" 1
872 1 25 ALA MB 1 76 GLN H 4.110 . 4.310 3.574 3.353 3.830 . 0 0 "[ . 1 . 2]" 1
873 1 25 ALA H 1 25 ALA MB 2.820 . 3.020 2.200 2.138 2.266 . 0 0 "[ . 1 . 2]" 1
874 1 25 ALA MB 1 26 ILE QG 5.190 . 5.390 4.905 4.750 5.170 . 0 0 "[ . 1 . 2]" 1
875 1 25 ALA MB 2 50 MET HB3 5.500 . 5.700 4.657 4.348 5.025 . 0 0 "[ . 1 . 2]" 1
876 1 25 ALA H 1 26 ILE HB 5.070 . 5.270 4.940 4.796 5.275 0.005 1 0 "[ . 1 . 2]" 1
877 1 25 ALA MB 1 73 TYR HA 4.700 . 4.900 4.972 4.762 5.092 0.192 14 0 "[ . 1 . 2]" 1
878 1 25 ALA HA 1 72 ILE QG 4.550 . 4.750 4.145 4.021 4.260 . 0 0 "[ . 1 . 2]" 1
879 1 25 ALA H 1 26 ILE H 3.130 . 3.330 2.536 2.493 2.630 . 0 0 "[ . 1 . 2]" 1
880 1 25 ALA MB 1 72 ILE MD 3.260 . 3.460 2.272 2.101 2.429 . 0 0 "[ . 1 . 2]" 1
881 1 25 ALA MB 1 76 GLN HG2 4.200 . 4.400 2.144 1.810 2.620 . 0 0 "[ . 1 . 2]" 1
882 1 25 ALA HA 1 27 PHE H 4.390 . 4.590 4.345 4.215 4.508 . 0 0 "[ . 1 . 2]" 1
883 1 25 ALA MB 1 76 GLN HA 3.790 . 3.990 3.471 3.326 3.666 . 0 0 "[ . 1 . 2]" 1
884 1 25 ALA MB 1 76 GLN HG3 4.120 . 4.320 3.066 2.605 3.683 . 0 0 "[ . 1 . 2]" 1
885 1 25 ALA H 1 72 ILE MG 5.500 . 5.700 5.782 5.748 5.822 0.122 1 0 "[ . 1 . 2]" 1
886 1 25 ALA H 1 26 ILE MG 4.040 . 4.240 3.868 3.815 3.937 . 0 0 "[ . 1 . 2]" 1
887 1 25 ALA HA 1 76 GLN HB3 5.110 . 5.310 4.847 4.472 5.080 . 0 0 "[ . 1 . 2]" 1
888 1 25 ALA MB 1 26 ILE HB 3.900 . 4.100 3.742 3.508 4.105 0.005 19 0 "[ . 1 . 2]" 1
889 1 25 ALA MB 1 72 ILE MG 3.680 . 3.880 3.827 3.696 3.880 0.000 8 0 "[ . 1 . 2]" 1
890 1 25 ALA MB 1 27 PHE H 4.570 . 4.770 4.268 4.147 4.446 . 0 0 "[ . 1 . 2]" 1
891 1 25 ALA H 1 27 PHE H 4.140 . 4.340 3.831 3.747 3.938 . 0 0 "[ . 1 . 2]" 1
892 1 25 ALA MB 1 26 ILE H 3.560 . 3.760 2.434 2.377 2.504 . 0 0 "[ . 1 . 2]" 1
893 1 25 ALA MB 1 76 GLN HB3 4.170 . 4.370 4.261 3.977 4.440 0.070 10 0 "[ . 1 . 2]" 1
894 1 25 ALA H 1 72 ILE QG 4.400 . 4.600 3.684 3.570 3.816 . 0 0 "[ . 1 . 2]" 1
895 1 25 ALA HA 1 76 GLN HB2 5.500 . 5.700 5.756 5.455 5.852 0.152 17 0 "[ . 1 . 2]" 1
896 1 26 ILE MD 1 46 TYR HE1 4.190 . 4.390 3.321 2.881 4.124 . 0 0 "[ . 1 . 2]" 1
897 1 26 ILE MG 1 27 PHE HB3 4.100 . 4.300 3.944 2.877 4.235 . 0 0 "[ . 1 . 2]" 1
898 1 26 ILE H 1 26 ILE QG 4.160 . 4.360 4.074 4.057 4.102 . 0 0 "[ . 1 . 2]" 1
899 1 26 ILE MG 1 27 PHE QD 4.380 . 4.580 2.353 1.867 4.286 . 0 0 "[ . 1 . 2]" 1
900 1 26 ILE MG 1 47 ALA H 5.500 . 5.700 4.370 4.146 4.502 . 0 0 "[ . 1 . 2]" 1
901 1 26 ILE HB 1 26 ILE MD 3.200 . 3.400 3.041 2.557 3.213 . 0 0 "[ . 1 . 2]" 1
902 1 26 ILE HA 1 27 PHE HB2 5.500 . 5.700 5.419 5.191 5.578 . 0 0 "[ . 1 . 2]" 1
903 1 26 ILE MD 1 50 VAL QG 4.710 . 4.910 4.545 4.155 4.912 0.002 16 0 "[ . 1 . 2]" 1
904 1 26 ILE MD 1 26 ILE MG 2.430 . 2.630 1.896 1.798 1.950 0.002 7 0 "[ . 1 . 2]" 1
905 1 26 ILE HA 1 26 ILE MG 3.260 . 3.460 3.222 3.207 3.242 . 0 0 "[ . 1 . 2]" 1
906 1 26 ILE MD 1 46 TYR HB2 4.630 . 4.830 4.031 3.369 4.349 . 0 0 "[ . 1 . 2]" 1
907 1 26 ILE H 1 26 ILE HB 3.380 . 3.580 2.590 2.500 2.775 . 0 0 "[ . 1 . 2]" 1
908 1 26 ILE HA 1 26 ILE MD 3.870 . 4.070 3.442 3.245 3.884 . 0 0 "[ . 1 . 2]" 1
909 1 26 ILE H 1 27 PHE H 3.120 . 3.320 2.404 2.335 2.577 . 0 0 "[ . 1 . 2]" 1
910 1 26 ILE QG 1 27 PHE H 4.560 . 4.760 4.345 3.752 4.564 . 0 0 "[ . 1 . 2]" 1
911 1 26 ILE MG 1 27 PHE HB2 4.010 . 4.210 2.753 2.202 3.127 . 0 0 "[ . 1 . 2]" 1
912 1 26 ILE MD 1 27 PHE H 4.640 . 4.840 4.040 3.710 4.591 . 0 0 "[ . 1 . 2]" 1
913 1 26 ILE MG 1 27 PHE HA 4.470 . 4.670 3.810 3.676 3.911 . 0 0 "[ . 1 . 2]" 1
914 1 26 ILE MG 1 46 TYR HE1 5.500 . 5.700 2.503 1.985 5.139 . 0 0 "[ . 1 . 2]" 1
915 1 26 ILE MD 1 46 TYR QD 3.780 . 3.980 3.019 2.681 3.274 . 0 0 "[ . 1 . 2]" 1
916 1 26 ILE MD 1 46 TYR HA 5.500 . 5.700 5.605 4.963 5.823 0.123 3 0 "[ . 1 . 2]" 1
917 1 26 ILE HA 1 28 PRO QD 4.760 . 4.960 4.024 3.717 4.266 . 0 0 "[ . 1 . 2]" 1
918 1 26 ILE H 1 27 PHE HB2 4.960 . 5.160 4.597 4.414 5.171 0.011 19 0 "[ . 1 . 2]" 1
919 1 26 ILE MD 1 27 PHE QD 4.970 . 5.170 3.170 2.120 5.195 0.025 9 0 "[ . 1 . 2]" 1
920 1 26 ILE MD 1 27 PHE HA 5.020 . 5.220 4.045 3.549 5.096 . 0 0 "[ . 1 . 2]" 1
921 1 26 ILE MD 1 46 TYR HB3 4.030 . 4.230 3.608 3.005 3.872 . 0 0 "[ . 1 . 2]" 1
922 1 26 ILE MG 1 27 PHE H 3.680 . 3.880 2.410 2.223 2.539 . 0 0 "[ . 1 . 2]" 1
923 1 26 ILE HB 1 27 PHE H 4.140 . 4.340 3.989 3.915 4.036 . 0 0 "[ . 1 . 2]" 1
924 1 26 ILE MD 2 17 SER QB 4.080 . 4.280 3.032 2.379 3.869 . 0 0 "[ . 1 . 2]" 1
925 1 26 ILE HA 1 75 ILE MG 3.720 . 3.920 2.859 2.474 3.600 . 0 0 "[ . 1 . 2]" 1
926 1 26 ILE MG 2 17 SER QB 4.490 . 4.690 4.299 3.684 4.737 0.047 7 0 "[ . 1 . 2]" 1
927 1 26 ILE H 1 26 ILE MG 3.470 . 3.670 2.110 2.059 2.139 . 0 0 "[ . 1 . 2]" 1
928 1 26 ILE H 1 72 ILE QG 4.120 . 4.320 4.192 3.952 4.391 0.071 19 0 "[ . 1 . 2]" 1
929 1 27 PHE HB2 1 43 LEU QD 3.480 . 3.680 2.762 1.926 3.221 . 0 0 "[ . 1 . 2]" 1
930 1 27 PHE HB2 1 43 LEU MD1 3.970 . 4.170 3.113 1.937 3.762 . 0 0 "[ . 1 . 2]" 1
931 1 27 PHE HA 1 43 LEU MD2 5.000 . 5.200 4.676 4.063 5.257 0.057 20 0 "[ . 1 . 2]" 1
932 1 27 PHE HB2 1 43 LEU HB3 4.450 . 4.650 3.399 2.886 3.964 . 0 0 "[ . 1 . 2]" 1
933 1 27 PHE HB2 1 43 LEU MD2 3.970 . 4.170 3.217 2.023 3.525 . 0 0 "[ . 1 . 2]" 1
934 1 27 PHE QD 2 20 LEU MD2 4.490 . 4.690 2.850 2.017 3.683 . 0 0 "[ . 1 . 2]" 1
935 1 27 PHE HB3 2 14 LEU MD1 5.500 . 5.700 5.830 5.745 5.953 0.253 7 0 "[ . 1 . 2]" 1
936 1 27 PHE QD 1 43 LEU MD1 3.930 . 4.130 3.249 2.560 3.683 . 0 0 "[ . 1 . 2]" 1
937 1 27 PHE QD 1 28 PRO QD 4.390 . 4.590 3.743 3.434 4.078 . 0 0 "[ . 1 . 2]" 1
938 1 27 PHE HA 1 43 LEU MD1 5.000 . 5.200 4.831 3.786 5.124 . 0 0 "[ . 1 . 2]" 1
939 1 27 PHE HA 1 43 LEU QD 4.580 . 4.780 4.187 3.703 4.608 . 0 0 "[ . 1 . 2]" 1
940 1 27 PHE HB3 1 43 LEU QD 3.420 . 3.620 2.542 2.180 3.050 . 0 0 "[ . 1 . 2]" 1
941 1 27 PHE HB2 2 20 LEU MD2 5.500 . 5.700 5.091 3.912 5.779 0.079 14 0 "[ . 1 . 2]" 1
942 1 27 PHE QB 2 20 LEU QD 4.500 . 4.700 3.553 2.478 4.254 . 0 0 "[ . 1 . 2]" 1
943 1 27 PHE HB2 2 14 LEU MD1 5.500 . 5.700 5.578 5.425 5.729 0.029 18 0 "[ . 1 . 2]" 1
944 1 27 PHE H 1 28 PRO QD 4.400 . 4.600 3.487 3.275 3.651 . 0 0 "[ . 1 . 2]" 1
945 1 27 PHE QD 2 20 LEU MD1 4.490 . 4.690 3.483 2.602 4.697 0.007 15 0 "[ . 1 . 2]" 1
946 1 27 PHE HA 1 28 PRO QD 3.240 . 3.440 1.966 1.901 2.017 . 0 0 "[ . 1 . 2]" 1
947 1 27 PHE HA 1 27 PHE QD 3.910 . 4.110 2.594 2.429 2.932 . 0 0 "[ . 1 . 2]" 1
948 1 27 PHE H 1 27 PHE HB3 3.660 . 3.860 3.446 2.394 3.705 . 0 0 "[ . 1 . 2]" 1
949 1 27 PHE HB3 1 28 PRO HG2 5.500 . 5.700 5.676 5.472 5.817 0.117 19 0 "[ . 1 . 2]" 1
950 1 27 PHE H 1 43 LEU QD 5.140 . 5.340 4.659 3.944 5.011 . 0 0 "[ . 1 . 2]" 1
951 1 27 PHE HA 1 28 PRO HG3 4.440 . 4.640 4.573 4.460 4.659 0.019 20 0 "[ . 1 . 2]" 1
952 1 27 PHE HB2 1 28 PRO QD 4.490 . 4.690 4.415 4.266 4.465 . 0 0 "[ . 1 . 2]" 1
953 1 27 PHE HB3 2 20 LEU MD1 5.500 . 5.700 5.031 3.096 5.773 0.073 19 0 "[ . 1 . 2]" 1
954 1 27 PHE HB3 1 43 LEU MD1 4.070 . 4.270 2.824 2.231 3.641 . 0 0 "[ . 1 . 2]" 1
955 1 27 PHE QD 1 43 LEU MD2 3.930 . 4.130 3.023 2.633 3.894 . 0 0 "[ . 1 . 2]" 1
956 1 27 PHE HB3 2 20 LEU MD2 5.500 . 5.700 4.127 2.516 5.732 0.032 19 0 "[ . 1 . 2]" 1
957 1 27 PHE HB2 1 40 MET ME 5.000 . 5.200 5.015 4.717 5.353 0.153 9 0 "[ . 1 . 2]" 1
958 1 27 PHE H 1 28 PRO HA 4.670 . 4.870 4.511 4.351 4.765 . 0 0 "[ . 1 . 2]" 1
959 1 27 PHE QD 2 20 LEU QD 3.890 . 4.090 2.643 2.009 3.071 . 0 0 "[ . 1 . 2]" 1
960 1 27 PHE HB3 1 40 MET ME 5.000 . 5.200 5.204 4.715 5.364 0.164 10 0 "[ . 1 . 2]" 1
961 1 27 PHE H 1 27 PHE HB2 3.450 . 3.650 2.568 2.436 2.997 . 0 0 "[ . 1 . 2]" 1
962 1 27 PHE HB3 1 28 PRO QD 4.350 . 4.550 4.033 3.762 4.298 . 0 0 "[ . 1 . 2]" 1
963 1 27 PHE H 1 27 PHE QD 4.140 . 4.340 3.681 3.387 4.192 . 0 0 "[ . 1 . 2]" 1
964 1 27 PHE HA 1 28 PRO HG2 4.280 . 4.480 4.060 3.705 4.244 . 0 0 "[ . 1 . 2]" 1
965 1 27 PHE HB3 1 29 THR HA 5.420 . 5.620 4.587 4.086 5.061 . 0 0 "[ . 1 . 2]" 1
966 1 27 PHE HB3 1 43 LEU MD2 4.070 . 4.270 2.979 2.603 3.974 . 0 0 "[ . 1 . 2]" 1
967 1 28 PRO HB3 1 79 LEU QD 3.560 . 3.760 2.860 2.279 3.807 0.047 8 0 "[ . 1 . 2]" 1
968 1 28 PRO HA 1 29 THR HB 5.500 . 5.700 4.542 4.414 4.705 . 0 0 "[ . 1 . 2]" 1
969 1 28 PRO HB2 1 29 THR H 3.890 . 4.090 3.938 3.546 4.094 0.004 12 0 "[ . 1 . 2]" 1
970 1 28 PRO HA 1 79 LEU MD2 5.500 . 5.700 4.192 3.706 4.565 . 0 0 "[ . 1 . 2]" 1
971 1 28 PRO HA 1 29 THR MG 4.970 . 5.170 3.986 3.628 4.966 . 0 0 "[ . 1 . 2]" 1
972 1 28 PRO QD 1 79 LEU QD 3.860 . 4.060 2.806 2.264 3.367 . 0 0 "[ . 1 . 2]" 1
973 1 28 PRO HB3 1 29 THR MG 5.500 . 5.700 5.631 5.401 5.969 0.269 10 0 "[ . 1 . 2]" 1
974 1 28 PRO HB2 1 30 PRO QD 5.360 . 5.560 5.085 4.034 5.561 0.001 4 0 "[ . 1 . 2]" 1
975 1 28 PRO HB3 1 29 THR H 4.340 . 4.540 4.136 3.197 4.362 . 0 0 "[ . 1 . 2]" 1
976 1 28 PRO HG3 1 79 LEU QD 4.540 . 4.740 3.016 2.190 3.605 . 0 0 "[ . 1 . 2]" 1
977 1 28 PRO HA 1 29 THR H 2.840 . 3.040 2.140 2.058 2.218 . 0 0 "[ . 1 . 2]" 1
978 1 28 PRO HA 1 79 LEU QD 4.810 . 5.010 3.922 3.480 4.298 . 0 0 "[ . 1 . 2]" 1
979 1 28 PRO HB2 1 29 THR MG 5.500 . 5.700 5.311 5.051 5.703 0.003 8 0 "[ . 1 . 2]" 1
980 1 28 PRO HA 1 79 LEU MD1 5.500 . 5.700 4.755 4.130 5.242 . 0 0 "[ . 1 . 2]" 1
981 1 28 PRO HG3 1 79 LEU HB2 5.500 . 5.700 3.823 2.804 4.531 . 0 0 "[ . 1 . 2]" 1
982 1 29 THR H 1 30 PRO QD 4.510 . 4.710 4.285 4.036 4.407 . 0 0 "[ . 1 . 2]" 1
983 1 29 THR MG 1 35 LEU QD 3.140 . 3.340 1.801 1.771 1.919 0.029 11 0 "[ . 1 . 2]" 1
984 1 29 THR MG 1 31 ASP H 3.830 . 4.030 3.093 2.228 3.412 . 0 0 "[ . 1 . 2]" 1
985 1 29 THR HA 1 29 THR MG 3.250 . 3.450 3.108 2.011 3.239 . 0 0 "[ . 1 . 2]" 1
986 1 29 THR HA 1 30 PRO HG2 4.340 . 4.540 4.336 4.264 4.453 . 0 0 "[ . 1 . 2]" 1
987 1 29 THR MG 1 35 LEU QB 4.290 . 4.490 4.162 3.275 4.288 . 0 0 "[ . 1 . 2]" 1
988 1 29 THR MG 1 31 ASP HB2 5.500 . 5.700 5.382 4.358 5.737 0.037 12 0 "[ . 1 . 2]" 1
989 1 29 THR H 1 35 LEU QD 5.440 . 5.640 3.993 3.630 4.893 . 0 0 "[ . 1 . 2]" 1
990 1 29 THR MG 1 34 ALA MB 3.740 . 3.940 3.644 2.368 3.866 . 0 0 "[ . 1 . 2]" 1
991 1 29 THR HA 1 35 LEU HG 5.500 . 5.700 5.392 4.663 5.666 . 0 0 "[ . 1 . 2]" 1
992 1 29 THR HA 1 35 LEU MD2 5.500 . 5.700 4.265 3.879 4.880 . 0 0 "[ . 1 . 2]" 1
993 1 29 THR MG 1 35 LEU MD2 3.590 . 3.790 1.951 1.892 2.018 . 0 0 "[ . 1 . 2]" 1
994 1 29 THR H 1 29 THR HB 3.410 . 3.610 2.536 2.371 2.628 . 0 0 "[ . 1 . 2]" 1
995 1 29 THR MG 1 32 PRO HB3 5.390 . 5.590 4.414 3.983 5.284 . 0 0 "[ . 1 . 2]" 1
996 1 29 THR HA 1 34 ALA MB 4.780 . 4.980 3.653 3.345 4.018 . 0 0 "[ . 1 . 2]" 1
997 1 29 THR MG 1 32 PRO HA 3.940 . 4.140 3.045 2.598 3.686 . 0 0 "[ . 1 . 2]" 1
998 1 29 THR MG 1 30 PRO HA 4.900 . 5.100 4.440 4.302 4.562 . 0 0 "[ . 1 . 2]" 1
999 1 29 THR HA 1 30 PRO HB2 5.500 . 5.700 5.516 5.445 5.631 . 0 0 "[ . 1 . 2]" 1
1000 1 29 THR MG 1 30 PRO QD 4.060 . 4.260 3.609 2.374 3.900 . 0 0 "[ . 1 . 2]" 1
1001 1 29 THR MG 1 31 ASP HB3 5.500 . 5.700 5.271 4.314 5.729 0.029 17 0 "[ . 1 . 2]" 1
1002 1 29 THR HA 1 43 LEU QD 5.440 . 5.640 4.476 3.903 5.539 . 0 0 "[ . 1 . 2]" 1
1003 1 29 THR HB 1 34 ALA MB 4.620 . 4.820 3.897 3.606 4.848 0.028 8 0 "[ . 1 . 2]" 1
1004 1 29 THR HA 1 31 ASP H 4.740 . 4.940 3.813 3.577 3.965 . 0 0 "[ . 1 . 2]" 1
1005 1 29 THR MG 1 35 LEU HA 4.700 . 4.900 4.869 4.152 4.995 0.095 9 0 "[ . 1 . 2]" 1
1006 1 29 THR HA 1 30 PRO HG3 4.530 . 4.730 4.389 4.327 4.529 . 0 0 "[ . 1 . 2]" 1
1007 1 29 THR HB 1 30 PRO QD 3.720 . 3.920 3.681 3.518 4.021 0.101 10 0 "[ . 1 . 2]" 1
1008 1 29 THR HA 1 30 PRO HA 4.610 . 4.810 4.456 4.403 4.560 . 0 0 "[ . 1 . 2]" 1
1009 1 29 THR MG 1 31 ASP HA 5.160 . 5.360 4.075 3.678 4.402 . 0 0 "[ . 1 . 2]" 1
1010 1 29 THR HA 1 35 LEU MD1 5.500 . 5.700 5.703 5.351 5.824 0.124 18 0 "[ . 1 . 2]" 1
1011 1 29 THR MG 1 35 LEU HG 4.650 . 4.850 2.667 2.018 2.860 . 0 0 "[ . 1 . 2]" 1
1012 1 29 THR H 1 29 THR MG 3.220 . 3.420 2.323 1.979 3.499 0.079 8 0 "[ . 1 . 2]" 1
1013 1 29 THR MG 1 40 MET ME 5.000 . 5.200 4.918 4.266 5.202 0.002 9 0 "[ . 1 . 2]" 1
1014 1 29 THR HB 1 35 LEU QD 4.450 . 4.650 2.374 2.090 3.808 . 0 0 "[ . 1 . 2]" 1
1015 1 29 THR HA 1 30 PRO QD 2.870 . 3.070 1.985 1.929 2.101 . 0 0 "[ . 1 . 2]" 1
1016 1 29 THR MG 1 35 LEU MD1 3.590 . 3.790 2.161 2.006 3.120 . 0 0 "[ . 1 . 2]" 1
1017 1 30 PRO QD 1 34 ALA MB 4.920 . 5.120 2.358 2.078 2.583 . 0 0 "[ . 1 . 2]" 1
1018 1 30 PRO HG2 1 31 ASP HA 5.500 . 5.700 4.755 4.396 4.990 . 0 0 "[ . 1 . 2]" 1
1019 1 30 PRO HG2 1 34 ALA MB 3.590 . 3.790 2.615 2.127 2.925 . 0 0 "[ . 1 . 2]" 1
1020 1 30 PRO HB2 1 31 ASP H 3.630 . 3.830 3.436 3.264 3.707 . 0 0 "[ . 1 . 2]" 1
1021 1 30 PRO QD 1 35 LEU MD1 5.500 . 5.700 5.682 5.434 5.746 0.046 17 0 "[ . 1 . 2]" 1
1022 1 30 PRO HG2 1 31 ASP HB3 5.290 . 5.490 3.974 3.344 5.023 . 0 0 "[ . 1 . 2]" 1
1023 1 30 PRO QD 1 31 ASP H 3.720 . 3.920 2.517 2.220 2.766 . 0 0 "[ . 1 . 2]" 1
1024 1 30 PRO HG2 1 31 ASP QB 4.540 . 4.740 3.281 3.005 3.751 . 0 0 "[ . 1 . 2]" 1
1025 1 30 PRO HG3 1 31 ASP H 4.400 . 4.600 3.929 3.705 4.237 . 0 0 "[ . 1 . 2]" 1
1026 1 30 PRO HG2 1 31 ASP HB2 5.290 . 5.490 3.754 3.046 5.032 . 0 0 "[ . 1 . 2]" 1
1027 1 30 PRO HG2 1 31 ASP H 3.360 . 3.560 2.468 2.171 2.829 . 0 0 "[ . 1 . 2]" 1
1028 1 30 PRO QD 1 35 LEU QD 4.770 . 4.970 4.442 4.145 4.976 0.006 18 0 "[ . 1 . 2]" 1
1029 1 30 PRO HA 1 31 ASP QB 5.120 . 5.320 4.855 4.464 5.336 0.016 20 0 "[ . 1 . 2]" 1
1030 1 30 PRO HB2 1 31 ASP QB 5.340 . 5.540 3.609 3.166 4.300 . 0 0 "[ . 1 . 2]" 1
1031 1 30 PRO HB2 1 34 ALA MB 4.540 . 4.740 4.505 3.905 4.779 0.039 16 0 "[ . 1 . 2]" 1
1032 1 30 PRO HG2 1 34 ALA HA 5.490 . 5.690 5.225 4.501 5.605 . 0 0 "[ . 1 . 2]" 1
1033 1 30 PRO HG3 1 31 ASP QB 5.340 . 5.540 4.797 4.532 5.234 . 0 0 "[ . 1 . 2]" 1
1034 1 30 PRO QD 1 35 LEU MD2 5.500 . 5.700 4.649 4.283 5.520 . 0 0 "[ . 1 . 2]" 1
1035 1 31 ASP HA 1 32 PRO HG3 4.630 . 4.830 4.534 4.488 4.599 . 0 0 "[ . 1 . 2]" 1
1036 1 31 ASP HB2 1 32 PRO QD 4.360 . 4.560 3.419 1.961 4.041 . 0 0 "[ . 1 . 2]" 1
1037 1 31 ASP QB 1 32 PRO HB2 5.270 . 5.470 5.385 5.014 5.568 0.098 6 0 "[ . 1 . 2]" 1
1038 1 31 ASP HB2 1 33 ALA H 4.110 . 4.310 3.553 2.486 4.275 . 0 0 "[ . 1 . 2]" 1
1039 1 31 ASP HB3 1 34 ALA MB 4.370 . 4.570 3.645 2.620 4.598 0.028 3 0 "[ . 1 . 2]" 1
1040 1 31 ASP HA 1 32 PRO HB3 5.170 . 5.370 5.090 4.828 5.309 . 0 0 "[ . 1 . 2]" 1
1041 1 31 ASP HA 1 32 PRO QD . . 3.050 2.075 1.969 2.179 . 0 0 "[ . 1 . 2]" 1
1042 1 31 ASP HB3 1 33 ALA H 4.110 . 4.310 2.921 2.080 4.317 0.007 4 0 "[ . 1 . 2]" 1
1043 1 31 ASP QB 1 34 ALA H 3.730 . 3.930 2.893 2.250 3.802 . 0 0 "[ . 1 . 2]" 1
1044 1 31 ASP HB3 1 32 PRO QD 4.360 . 4.560 3.260 2.331 3.763 . 0 0 "[ . 1 . 2]" 1
1045 1 31 ASP HA 1 32 PRO HG2 4.850 . 5.050 4.403 4.170 4.835 . 0 0 "[ . 1 . 2]" 1
1046 1 31 ASP H 1 35 LEU QD 4.400 . 4.600 4.584 4.406 4.660 0.060 14 0 "[ . 1 . 2]" 1
1047 1 31 ASP QB 1 33 ALA H 3.590 . 3.790 2.572 2.039 2.962 . 0 0 "[ . 1 . 2]" 1
1048 1 31 ASP QB 1 34 ALA MB 3.750 . 3.950 3.091 2.274 4.054 0.104 3 0 "[ . 1 . 2]" 1
1049 1 31 ASP HA 1 35 LEU QD 5.060 . 5.260 5.172 4.939 5.355 0.095 8 0 "[ . 1 . 2]" 1
1050 1 31 ASP QB 1 35 LEU QD 4.850 . 5.050 5.065 4.832 5.221 0.171 4 0 "[ . 1 . 2]" 1
1051 1 31 ASP HB2 1 34 ALA MB 4.370 . 4.570 3.792 2.293 4.559 . 0 0 "[ . 1 . 2]" 1
1052 1 31 ASP H 1 33 ALA H 4.720 . 4.920 4.664 4.473 4.874 . 0 0 "[ . 1 . 2]" 1
1053 1 31 ASP HA 1 34 ALA MB 5.140 . 5.340 4.728 4.235 4.922 . 0 0 "[ . 1 . 2]" 1
1054 1 31 ASP QB 1 33 ALA MB 4.160 . 4.360 3.192 2.466 3.801 . 0 0 "[ . 1 . 2]" 1
1055 1 31 ASP H 1 31 ASP QB 3.270 . 3.470 2.803 2.638 3.261 . 0 0 "[ . 1 . 2]" 1
1056 1 31 ASP H 1 32 PRO QD 4.410 . 4.610 4.246 4.132 4.391 . 0 0 "[ . 1 . 2]" 1
1057 1 31 ASP HB3 1 33 ALA MB 4.800 . 5.000 3.536 2.586 4.978 . 0 0 "[ . 1 . 2]" 1
1058 1 31 ASP HA 1 34 ALA H 4.750 . 4.950 4.680 4.210 4.904 . 0 0 "[ . 1 . 2]" 1
1059 1 31 ASP QB 1 32 PRO HG2 4.420 . 4.620 4.305 3.808 4.657 0.037 1 0 "[ . 1 . 2]" 1
1060 1 31 ASP HA 1 33 ALA H 4.070 . 4.270 3.929 3.562 4.190 . 0 0 "[ . 1 . 2]" 1
1061 1 31 ASP H 1 34 ALA MB 3.840 . 4.040 2.800 2.387 3.020 . 0 0 "[ . 1 . 2]" 1
1062 1 31 ASP HB2 1 33 ALA MB 4.800 . 5.000 4.034 3.114 4.707 . 0 0 "[ . 1 . 2]" 1
1063 1 31 ASP QB 1 32 PRO QD 3.790 . 3.990 2.791 1.949 3.330 . 0 0 "[ . 1 . 2]" 1
1064 1 32 PRO HA 1 33 ALA MB 5.170 . 5.370 4.992 4.925 5.067 . 0 0 "[ . 1 . 2]" 1
1065 1 32 PRO QD 1 34 ALA MB 5.170 . 5.370 5.142 4.837 5.298 . 0 0 "[ . 1 . 2]" 1
1066 1 32 PRO HB2 1 33 ALA MB 5.150 . 5.350 4.354 3.958 4.607 . 0 0 "[ . 1 . 2]" 1
1067 1 32 PRO HB2 1 35 LEU QD 4.170 . 4.370 3.207 2.937 3.913 . 0 0 "[ . 1 . 2]" 1
1068 1 32 PRO QD 1 34 ALA H 4.590 . 4.790 4.568 4.256 4.774 . 0 0 "[ . 1 . 2]" 1
1069 1 32 PRO HG2 1 35 LEU QD 4.940 . 5.140 4.754 4.575 5.152 0.012 18 0 "[ . 1 . 2]" 1
1070 1 32 PRO HG2 1 33 ALA HA 4.930 . 5.130 4.704 4.338 4.969 . 0 0 "[ . 1 . 2]" 1
1071 1 32 PRO HG2 1 33 ALA H 3.670 . 3.870 3.071 2.790 3.528 . 0 0 "[ . 1 . 2]" 1
1072 1 32 PRO HB3 1 35 LEU MD2 5.000 . 5.200 5.254 5.129 5.295 0.095 6 0 "[ . 1 . 2]" 1
1073 1 32 PRO HB2 1 33 ALA H 3.930 . 4.130 3.549 3.144 3.975 . 0 0 "[ . 1 . 2]" 1
1074 1 32 PRO HA 1 35 LEU MD2 3.870 . 4.070 3.767 3.689 3.824 . 0 0 "[ . 1 . 2]" 1
1075 1 32 PRO HB3 1 35 LEU QD 3.780 . 3.980 2.895 2.782 3.589 . 0 0 "[ . 1 . 2]" 1
1076 1 32 PRO HA 1 35 LEU MD1 3.870 . 4.070 1.896 1.798 2.143 0.002 11 0 "[ . 1 . 2]" 1
1077 1 32 PRO QD 1 33 ALA H 3.150 . 3.350 2.992 2.655 3.295 . 0 0 "[ . 1 . 2]" 1
1078 1 32 PRO HG3 1 33 ALA H 4.470 . 4.670 4.447 4.286 4.678 0.008 3 0 "[ . 1 . 2]" 1
1079 1 32 PRO HA 1 35 LEU HG 4.000 . 4.200 2.654 2.486 3.366 . 0 0 "[ . 1 . 2]" 1
1080 1 32 PRO HA 1 35 LEU QD 3.300 . 3.500 1.891 1.795 2.130 0.005 11 0 "[ . 1 . 2]" 1
1081 1 32 PRO HA 1 33 ALA H 3.490 . 3.690 3.465 3.344 3.606 . 0 0 "[ . 1 . 2]" 1
1082 1 32 PRO HB2 1 36 LYS QE 4.810 . 5.010 4.174 3.629 4.780 . 0 0 "[ . 1 . 2]" 1
1083 1 32 PRO HB2 1 33 ALA HA 4.790 . 4.990 4.062 3.843 4.343 . 0 0 "[ . 1 . 2]" 1
1084 1 32 PRO HG2 1 33 ALA MB 3.750 . 3.950 3.881 3.686 3.989 0.039 15 0 "[ . 1 . 2]" 1
1085 1 33 ALA MB 1 37 ASP QB 5.500 . 5.700 4.668 3.770 5.713 0.013 8 0 "[ . 1 . 2]" 1
1086 1 33 ALA H 1 33 ALA MB 2.410 . 2.610 2.321 2.287 2.401 . 0 0 "[ . 1 . 2]" 1
1087 1 33 ALA HA 1 36 LYS HG2 4.040 . 4.240 2.381 2.088 3.682 . 0 0 "[ . 1 . 2]" 1
1088 1 33 ALA HA 1 35 LEU QD 4.060 . 4.260 4.374 3.866 4.438 0.178 5 0 "[ . 1 . 2]" 1
1089 1 33 ALA HA 1 36 LYS QD 3.430 . 3.630 2.930 2.333 3.255 . 0 0 "[ . 1 . 2]" 1
1090 1 33 ALA HA 1 36 LYS QE 4.210 . 4.410 2.507 1.975 3.250 . 0 0 "[ . 1 . 2]" 1
1091 1 33 ALA MB 1 34 ALA MB 4.340 . 4.540 4.125 4.014 4.229 . 0 0 "[ . 1 . 2]" 1
1092 1 33 ALA MB 1 34 ALA H 3.380 . 3.580 3.121 2.857 3.277 . 0 0 "[ . 1 . 2]" 1
1093 1 33 ALA HA 1 36 LYS HB3 4.750 . 4.950 4.434 4.042 4.965 0.015 8 0 "[ . 1 . 2]" 1
1094 1 33 ALA H 1 35 LEU HG 5.500 . 5.700 4.679 4.289 5.617 . 0 0 "[ . 1 . 2]" 1
1095 1 33 ALA H 1 36 LYS QD 5.500 . 5.700 5.407 4.703 5.726 0.026 11 0 "[ . 1 . 2]" 1
1096 1 33 ALA HA 1 36 LYS HB2 5.000 . 5.200 5.099 3.976 5.250 0.050 4 0 "[ . 1 . 2]" 1
1097 1 33 ALA H 1 35 LEU H 4.240 . 4.440 3.936 3.598 4.453 0.013 18 0 "[ . 1 . 2]" 1
1098 1 33 ALA MB 1 36 LYS QE 4.290 . 4.490 3.633 3.252 4.488 . 0 0 "[ . 1 . 2]" 1
1099 1 33 ALA H 1 34 ALA H 2.650 . 2.850 2.420 2.072 2.555 . 0 0 "[ . 1 . 2]" 1
1100 1 33 ALA H 1 36 LYS QE 5.000 . 5.200 4.818 4.157 5.213 0.013 16 0 "[ . 1 . 2]" 1
1101 1 33 ALA MB 1 36 LYS QD 3.410 . 3.610 2.993 2.705 3.317 . 0 0 "[ . 1 . 2]" 1
1102 1 31 ASP HB2 1 34 ALA H 5.000 . 5.200 3.845 2.319 4.620 . 0 0 "[ . 1 . 2]" 1
1103 1 34 ALA MB 1 37 ASP QB 4.770 . 4.970 3.465 3.183 4.176 . 0 0 "[ . 1 . 2]" 1
1104 1 34 ALA MB 1 35 LEU H 3.540 . 3.740 3.049 2.528 3.185 . 0 0 "[ . 1 . 2]" 1
1105 1 34 ALA HA 1 37 ASP H 4.360 . 4.560 3.569 3.130 3.904 . 0 0 "[ . 1 . 2]" 1
1106 1 31 ASP HB3 1 34 ALA H 5.000 . 5.200 3.324 2.544 4.730 . 0 0 "[ . 1 . 2]" 1
1107 1 34 ALA HA 1 39 ARG QB 5.500 . 5.700 4.641 3.901 5.735 0.035 3 0 "[ . 1 . 2]" 1
1108 1 34 ALA H 1 35 LEU H 2.780 . 2.980 2.402 2.262 2.589 . 0 0 "[ . 1 . 2]" 1
1109 1 34 ALA HA 1 35 LEU QD 4.700 . 4.900 4.953 4.902 4.996 0.096 16 0 "[ . 1 . 2]" 1
1110 1 34 ALA H 1 35 LEU HG 4.180 . 4.380 3.502 3.272 4.238 . 0 0 "[ . 1 . 2]" 1
1111 1 30 PRO HG3 1 34 ALA H 6.000 . 6.200 6.210 6.028 6.274 0.074 20 0 "[ . 1 . 2]" 1
1112 1 34 ALA MB 1 39 ARG QD 5.500 . 5.700 4.671 2.939 5.752 0.052 3 0 "[ . 1 . 2]" 1
1113 1 34 ALA HA 1 37 ASP QB 3.820 . 4.020 2.301 1.872 3.447 . 0 0 "[ . 1 . 2]" 1
1114 1 32 PRO HA 1 34 ALA H 4.500 . 4.700 3.829 3.625 4.144 . 0 0 "[ . 1 . 2]" 1
1115 1 34 ALA MB 1 35 LEU QD 3.820 . 4.020 3.449 3.310 3.856 . 0 0 "[ . 1 . 2]" 1
1116 1 34 ALA MB 1 35 LEU HG 3.710 . 3.910 3.324 3.094 3.739 . 0 0 "[ . 1 . 2]" 1
1117 1 34 ALA H 1 35 LEU QD 4.170 . 4.370 3.997 3.537 4.308 . 0 0 "[ . 1 . 2]" 1
1118 1 34 ALA H 1 34 ALA MB 2.520 . 2.720 2.258 2.193 2.291 . 0 0 "[ . 1 . 2]" 1
1119 1 35 LEU QD 1 36 LYS H 4.230 . 4.430 4.245 3.062 4.376 . 0 0 "[ . 1 . 2]" 1
1120 1 35 LEU HA 1 43 LEU QD 4.150 . 4.350 3.481 2.871 4.397 0.047 19 0 "[ . 1 . 2]" 1
1121 1 35 LEU H 1 35 LEU MD2 3.830 . 4.030 3.476 3.318 3.893 . 0 0 "[ . 1 . 2]" 1
1122 1 35 LEU HA 1 35 LEU HG 3.790 . 3.990 3.070 2.964 3.726 . 0 0 "[ . 1 . 2]" 1
1123 1 35 LEU H 1 36 LYS H 3.060 . 3.260 2.473 2.300 2.809 . 0 0 "[ . 1 . 2]" 1
1124 1 35 LEU H 1 35 LEU QB 3.440 . 3.640 2.472 2.390 3.009 . 0 0 "[ . 1 . 2]" 1
1125 1 35 LEU H 1 35 LEU HG 2.810 . 3.010 2.241 2.083 2.366 . 0 0 "[ . 1 . 2]" 1
1126 1 35 LEU H 1 35 LEU MD1 3.830 . 4.030 3.298 2.148 3.428 . 0 0 "[ . 1 . 2]" 1
1127 1 35 LEU HA 1 40 MET HG2 4.530 . 4.730 3.717 3.207 4.670 . 0 0 "[ . 1 . 2]" 1
1128 1 35 LEU HA 1 37 ASP H 4.580 . 4.780 3.803 3.503 4.163 . 0 0 "[ . 1 . 2]" 1
1129 1 35 LEU HG 1 40 MET ME 4.790 . 4.990 4.148 3.854 4.432 . 0 0 "[ . 1 . 2]" 1
1130 1 32 PRO HA 1 35 LEU H 4.500 . 4.700 3.735 3.560 3.911 . 0 0 "[ . 1 . 2]" 1
1131 1 35 LEU HB3 1 40 MET ME 4.130 . 4.330 2.602 2.270 3.244 . 0 0 "[ . 1 . 2]" 1
1132 1 35 LEU QB 1 40 MET HB2 4.120 . 4.320 4.278 3.836 4.382 0.062 10 0 "[ . 1 . 2]" 1
1133 1 35 LEU H 1 36 LYS HG2 3.970 . 4.170 3.523 3.276 4.169 . 0 0 "[ . 1 . 2]" 1
1134 1 35 LEU HB2 1 40 MET ME 4.130 . 4.330 3.775 2.086 4.343 0.013 20 0 "[ . 1 . 2]" 1
1135 1 35 LEU H 1 40 MET ME 4.810 . 5.010 4.336 4.208 4.500 . 0 0 "[ . 1 . 2]" 1
1136 1 35 LEU HA 1 40 MET HB2 3.560 . 3.760 2.660 2.412 3.058 . 0 0 "[ . 1 . 2]" 1
1137 1 35 LEU HA 1 36 LYS H 3.180 . 3.380 3.266 3.068 3.375 . 0 0 "[ . 1 . 2]" 1
1138 1 35 LEU HA 1 40 MET HG3 5.480 . 5.680 4.924 4.567 5.298 . 0 0 "[ . 1 . 2]" 1
1139 1 35 LEU QD 1 36 LYS QE 4.890 . 5.090 4.219 2.756 4.890 . 0 0 "[ . 1 . 2]" 1
1140 1 35 LEU HA 1 40 MET HB3 5.000 . 5.200 4.263 3.997 4.790 . 0 0 "[ . 1 . 2]" 1
1141 1 35 LEU HA 1 40 MET ME 4.060 . 4.260 1.941 1.789 2.284 0.011 10 0 "[ . 1 . 2]" 1
1142 1 35 LEU H 1 35 LEU QD 3.310 . 3.510 2.986 2.138 3.081 . 0 0 "[ . 1 . 2]" 1
1143 1 35 LEU QB 1 40 MET ME 3.380 . 3.580 2.533 2.007 3.157 . 0 0 "[ . 1 . 2]" 1
1144 1 35 LEU HG 1 36 LYS H 4.860 . 5.060 4.473 4.313 4.716 . 0 0 "[ . 1 . 2]" 1
1145 1 36 LYS HA 1 40 MET HB2 3.820 . 4.020 3.744 3.266 4.047 0.027 14 0 "[ . 1 . 2]" 1
1146 1 36 LYS HA 1 40 MET HG3 4.650 . 4.850 3.962 3.640 4.931 0.081 8 0 "[ . 1 . 2]" 1
1147 1 36 LYS HA 1 36 LYS QE 5.030 . 5.230 4.435 4.048 5.141 . 0 0 "[ . 1 . 2]" 1
1148 1 36 LYS H 1 36 LYS HG2 3.470 . 3.670 2.261 1.970 3.322 . 0 0 "[ . 1 . 2]" 1
1149 1 36 LYS QD 1 37 ASP HA 5.500 . 5.700 5.638 5.398 5.769 0.069 20 0 "[ . 1 . 2]" 1
1150 1 33 ALA HA 1 36 LYS H 4.500 . 4.700 3.611 3.312 3.786 . 0 0 "[ . 1 . 2]" 1
1151 1 36 LYS HA 1 37 ASP HA 4.610 . 4.810 4.684 4.541 4.779 . 0 0 "[ . 1 . 2]" 1
1152 1 36 LYS H 1 37 ASP QB 4.310 . 4.510 3.340 3.028 3.967 . 0 0 "[ . 1 . 2]" 1
1153 1 36 LYS H 1 36 LYS HB3 3.630 . 3.830 3.300 3.209 3.852 0.022 8 0 "[ . 1 . 2]" 1
1154 1 36 LYS HA 1 40 MET HG2 4.060 . 4.260 2.649 2.387 3.378 . 0 0 "[ . 1 . 2]" 1
1155 1 36 LYS HG3 1 37 ASP HA 4.990 . 5.190 4.099 3.767 5.347 0.157 8 0 "[ . 1 . 2]" 1
1156 1 36 LYS HB2 1 37 ASP HA 4.910 . 5.110 4.865 3.852 5.106 . 0 0 "[ . 1 . 2]" 1
1157 1 36 LYS HB2 1 36 LYS QD 2.930 . 3.130 2.492 2.397 2.578 . 0 0 "[ . 1 . 2]" 1
1158 1 36 LYS HA 1 40 MET ME 4.330 . 4.530 4.356 3.980 4.680 0.150 6 0 "[ . 1 . 2]" 1
1159 1 36 LYS H 1 36 LYS QD 4.890 . 5.090 4.274 4.169 4.372 . 0 0 "[ . 1 . 2]" 1
1160 1 36 LYS QE 1 36 LYS HG2 3.500 . 3.700 2.384 2.353 2.443 . 0 0 "[ . 1 . 2]" 1
1161 1 36 LYS H 1 37 ASP HA 4.790 . 4.990 4.252 4.120 4.476 . 0 0 "[ . 1 . 2]" 1
1162 1 36 LYS HG2 1 40 MET HG2 5.500 . 5.700 5.742 5.672 5.839 0.139 6 0 "[ . 1 . 2]" 1
1163 1 36 LYS H 1 36 LYS HB2 3.940 . 4.140 3.778 3.039 3.841 . 0 0 "[ . 1 . 2]" 1
1164 1 36 LYS HA 1 36 LYS HG2 3.830 . 4.030 3.613 2.886 3.759 . 0 0 "[ . 1 . 2]" 1
1165 1 36 LYS H 1 36 LYS HG3 3.290 . 3.490 3.061 2.309 3.307 . 0 0 "[ . 1 . 2]" 1
1166 1 36 LYS HA 1 36 LYS QD 4.560 . 4.760 4.514 4.106 4.583 . 0 0 "[ . 1 . 2]" 1
1167 1 36 LYS HA 1 36 LYS HG3 4.110 . 4.310 3.779 3.376 3.880 . 0 0 "[ . 1 . 2]" 1
1168 1 37 ASP QB 1 40 MET HB3 4.240 . 4.440 3.492 3.012 4.299 . 0 0 "[ . 1 . 2]" 1
1169 1 37 ASP HA 1 40 MET H 4.660 . 4.700 4.492 4.341 4.717 0.017 20 0 "[ . 1 . 2]" 1
1170 1 37 ASP QB 1 39 ARG QG 5.180 . 5.380 4.473 3.783 5.163 . 0 0 "[ . 1 . 2]" 1
1171 1 37 ASP H 1 40 MET ME 5.160 . 5.360 4.250 3.871 4.541 . 0 0 "[ . 1 . 2]" 1
1172 1 37 ASP QB 1 40 MET HB2 5.250 . 5.450 3.620 3.129 4.419 . 0 0 "[ . 1 . 2]" 1
1173 1 37 ASP QB 1 39 ARG H 4.270 . 4.470 2.597 2.034 3.060 . 0 0 "[ . 1 . 2]" 1
1174 1 37 ASP HA 1 39 ARG H 4.750 . 4.950 4.205 3.923 4.711 . 0 0 "[ . 1 . 2]" 1
1175 1 37 ASP QB 1 38 ARG H 3.670 . 3.870 2.937 2.010 3.193 . 0 0 "[ . 1 . 2]" 1
1176 1 37 ASP HA 1 38 ARG H 3.440 . 3.640 2.539 2.392 2.847 . 0 0 "[ . 1 . 2]" 1
1177 1 37 ASP QB 1 40 MET H 4.490 . 4.690 2.644 2.172 3.387 . 0 0 "[ . 1 . 2]" 1
1178 1 37 ASP H 1 40 MET HB3 3.870 . 4.070 2.619 2.034 3.592 . 0 0 "[ . 1 . 2]" 1
1179 1 37 ASP QB 1 38 ARG HA 4.700 . 4.900 4.573 4.202 4.904 0.004 11 0 "[ . 1 . 2]" 1
1180 1 37 ASP QB 1 41 GLU H 5.250 . 5.450 5.073 4.650 5.476 0.026 20 0 "[ . 1 . 2]" 1
1181 1 37 ASP HA 1 38 ARG QB 5.280 . 5.480 4.323 4.114 4.767 . 0 0 "[ . 1 . 2]" 1
1182 1 37 ASP H 1 38 ARG H 4.470 . 4.670 4.479 4.313 4.598 . 0 0 "[ . 1 . 2]" 1
1183 1 37 ASP QB 1 38 ARG QB 4.310 . 4.510 4.663 4.017 4.772 0.262 13 0 "[ . 1 . 2]" 1
1184 1 37 ASP H 1 39 ARG QB 4.900 . 5.100 4.684 3.965 5.103 0.003 17 0 "[ . 1 . 2]" 1
1185 1 37 ASP H 1 38 ARG QD 5.500 . 5.700 5.626 5.253 5.909 0.209 16 0 "[ . 1 . 2]" 1
1186 1 37 ASP HA 1 38 ARG QD 4.890 . 5.090 4.195 3.729 5.196 0.106 16 0 "[ . 1 . 2]" 1
1187 1 38 ARG QG 1 39 ARG HA 3.840 . 4.040 3.438 3.088 4.217 0.177 9 0 "[ . 1 . 2]" 1
1188 1 38 ARG QG 1 41 GLU QG 5.340 . 5.540 4.634 4.203 5.565 0.025 16 0 "[ . 1 . 2]" 1
1189 1 38 ARG H 1 40 MET H 4.790 . 4.990 3.968 3.808 4.239 . 0 0 "[ . 1 . 2]" 1
1190 1 38 ARG H 1 38 ARG QB 3.410 . 3.610 2.244 2.042 2.491 . 0 0 "[ . 1 . 2]" 1
1191 1 38 ARG QD 1 39 ARG HA 4.640 . 4.840 3.958 2.321 4.557 . 0 0 "[ . 1 . 2]" 1
1192 1 38 ARG QG 1 39 ARG H 3.230 . 3.430 2.846 2.541 3.083 . 0 0 "[ . 1 . 2]" 1
1193 1 38 ARG H 1 38 ARG QD 4.740 . 4.940 2.151 1.828 3.242 . 0 0 "[ . 1 . 2]" 1
1194 1 38 ARG H 1 38 ARG QG 3.690 . 3.890 3.224 1.934 3.496 . 0 0 "[ . 1 . 2]" 1
1195 1 38 ARG HA 1 38 ARG QD 4.340 . 4.540 3.738 3.591 3.813 . 0 0 "[ . 1 . 2]" 1
1196 1 38 ARG QD 1 39 ARG H 4.280 . 4.480 2.102 1.893 2.436 . 0 0 "[ . 1 . 2]" 1
1197 1 38 ARG QG 1 39 ARG QB 3.420 . 3.620 3.609 3.257 3.704 0.084 5 0 "[ . 1 . 2]" 1
1198 1 38 ARG HA 1 38 ARG QG 3.560 . 3.760 3.473 3.414 3.531 . 0 0 "[ . 1 . 2]" 1
1199 1 38 ARG QD 1 39 ARG QB 3.480 . 3.680 3.111 2.394 3.564 . 0 0 "[ . 1 . 2]" 1
1200 1 38 ARG HA 1 41 GLU H 4.230 . 4.430 3.383 3.137 3.888 . 0 0 "[ . 1 . 2]" 1
1201 1 38 ARG HA 1 41 GLU HG3 5.000 . 5.200 5.076 3.986 5.306 0.106 12 0 "[ . 1 . 2]" 1
1202 1 38 ARG HA 1 41 GLU HG2 5.000 . 5.200 3.810 3.376 5.218 0.018 17 0 "[ . 1 . 2]" 1
1203 1 38 ARG QD 1 41 GLU H 5.500 . 5.700 5.633 4.804 5.788 0.088 2 0 "[ . 1 . 2]" 1
1204 1 39 ARG HA 2 20 LEU QD 4.900 . 5.100 4.924 4.278 5.248 0.148 6 0 "[ . 1 . 2]" 1
1205 1 39 ARG QD 1 43 LEU H 5.500 . 5.700 5.443 4.321 5.745 0.045 3 0 "[ . 1 . 2]" 1
1206 1 39 ARG H 1 41 GLU H 4.200 . 4.400 4.299 4.191 4.410 0.010 17 0 "[ . 1 . 2]" 1
1207 1 39 ARG H 1 39 ARG QB 3.110 . 3.310 2.176 2.035 2.244 . 0 0 "[ . 1 . 2]" 1
1208 1 39 ARG QG 2 20 LEU MD1 4.380 . 4.580 3.227 2.224 4.175 . 0 0 "[ . 1 . 2]" 1
1209 1 39 ARG H 1 40 MET H 3.590 . 3.790 2.486 2.329 2.640 . 0 0 "[ . 1 . 2]" 1
1210 1 39 ARG HA 1 41 GLU H 4.680 . 4.880 4.116 3.783 4.263 . 0 0 "[ . 1 . 2]" 1
1211 1 39 ARG QB 2 20 LEU QD 4.130 . 4.330 3.859 3.258 4.167 . 0 0 "[ . 1 . 2]" 1
1212 1 39 ARG QG 1 42 ASN QB 5.010 . 5.210 3.514 2.985 4.104 . 0 0 "[ . 1 . 2]" 1
1213 1 39 ARG HA 1 42 ASN QB 3.710 . 3.910 3.247 2.827 3.607 . 0 0 "[ . 1 . 2]" 1
1214 1 39 ARG QG 1 42 ASN H 4.560 . 4.760 4.582 4.249 4.819 0.059 10 0 "[ . 1 . 2]" 1
1215 1 39 ARG QG 1 42 ASN HD22 5.500 . 5.700 4.872 4.221 5.682 . 0 0 "[ . 1 . 2]" 1
1216 1 39 ARG QD 1 42 ASN HD22 5.500 . 5.700 5.368 4.472 5.761 0.061 8 0 "[ . 1 . 2]" 1
1217 1 39 ARG QB 1 42 ASN QB 4.920 . 5.120 4.637 4.326 4.999 . 0 0 "[ . 1 . 2]" 1
1218 1 39 ARG QB 1 42 ASN H 5.500 . 5.700 5.112 4.932 5.254 . 0 0 "[ . 1 . 2]" 1
1219 1 39 ARG HA 1 42 ASN H 3.950 . 4.150 3.670 3.355 3.868 . 0 0 "[ . 1 . 2]" 1
1220 1 39 ARG HA 1 41 GLU QG 4.240 . 4.440 4.052 3.734 4.319 . 0 0 "[ . 1 . 2]" 1
1221 1 39 ARG QG 1 40 MET H 4.480 . 4.680 3.852 3.399 4.089 . 0 0 "[ . 1 . 2]" 1
1222 1 39 ARG HA 1 42 ASN HB2 4.540 . 4.740 4.268 3.814 4.708 . 0 0 "[ . 1 . 2]" 1
1223 1 39 ARG H 1 42 ASN H 5.500 . 5.700 5.405 5.239 5.531 . 0 0 "[ . 1 . 2]" 1
1224 1 39 ARG QG 1 40 MET HA 4.250 . 4.450 3.856 3.281 4.177 . 0 0 "[ . 1 . 2]" 1
1225 1 39 ARG QG 2 20 LEU MD2 4.380 . 4.580 2.869 2.368 3.789 . 0 0 "[ . 1 . 2]" 1
1226 1 39 ARG H 1 40 MET HA 5.500 . 5.700 5.061 4.895 5.198 . 0 0 "[ . 1 . 2]" 1
1227 1 39 ARG QD 1 43 LEU QD 4.240 . 4.440 2.724 2.252 3.564 . 0 0 "[ . 1 . 2]" 1
1228 1 39 ARG QG 2 20 LEU QD 3.460 . 3.660 2.576 2.107 2.961 . 0 0 "[ . 1 . 2]" 1
1229 1 39 ARG HA 1 42 ASN HB3 4.540 . 4.740 3.370 2.890 3.759 . 0 0 "[ . 1 . 2]" 1
1230 1 39 ARG QB 1 40 MET HB3 4.710 . 4.910 4.645 4.308 4.957 0.047 8 0 "[ . 1 . 2]" 1
1231 1 39 ARG HA 1 39 ARG QD 4.520 . 4.720 3.531 2.139 4.297 . 0 0 "[ . 1 . 2]" 1
1232 1 39 ARG QB 1 40 MET H 3.580 . 3.780 2.749 2.421 2.989 . 0 0 "[ . 1 . 2]" 1
1233 1 39 ARG HA 1 39 ARG QG 3.050 . 3.250 2.670 2.444 2.934 . 0 0 "[ . 1 . 2]" 1
1234 1 39 ARG H 1 40 MET HB3 4.750 . 4.950 4.419 4.255 4.759 . 0 0 "[ . 1 . 2]" 1
1235 1 40 MET H 1 40 MET HB3 3.510 . 3.710 2.239 2.148 2.388 . 0 0 "[ . 1 . 2]" 1
1236 1 40 MET HA 1 43 LEU HB2 4.790 . 4.990 2.392 1.825 2.949 . 0 0 "[ . 1 . 2]" 1
1237 1 40 MET HA 1 43 LEU HB3 4.620 . 4.820 3.904 3.334 4.415 . 0 0 "[ . 1 . 2]" 1
1238 1 40 MET HG2 1 44 VAL MG2 5.500 . 5.700 4.691 3.565 5.433 . 0 0 "[ . 1 . 2]" 1
1239 1 40 MET HG3 1 44 VAL MG2 5.100 . 5.300 4.072 2.409 4.915 . 0 0 "[ . 1 . 2]" 1
1240 1 40 MET ME 1 41 GLU HA 5.500 . 5.700 5.257 5.017 5.458 . 0 0 "[ . 1 . 2]" 1
1241 1 40 MET HA 1 40 MET HG2 4.240 . 4.440 3.927 3.873 3.980 . 0 0 "[ . 1 . 2]" 1
1242 1 40 MET H 1 40 MET HB2 3.360 . 3.560 2.834 2.634 2.989 . 0 0 "[ . 1 . 2]" 1
1243 1 40 MET HA 1 44 VAL H 4.330 . 4.530 3.508 3.360 3.645 . 0 0 "[ . 1 . 2]" 1
1244 1 40 MET HG3 1 44 VAL MG1 5.000 . 5.200 3.028 2.082 3.524 . 0 0 "[ . 1 . 2]" 1
1245 1 40 MET HA 1 43 LEU HG 3.480 . 3.680 2.828 2.065 3.989 0.309 20 0 "[ . 1 . 2]" 1
1246 1 40 MET ME 1 40 MET HG3 3.480 . 3.680 3.308 2.786 3.465 . 0 0 "[ . 1 . 2]" 1
1247 1 40 MET ME 1 43 LEU MD2 5.000 . 5.200 3.631 1.967 4.557 . 0 0 "[ . 1 . 2]" 1
1248 1 40 MET HA 1 43 LEU MD1 4.310 . 4.510 2.551 2.110 4.462 . 0 0 "[ . 1 . 2]" 1
1249 1 40 MET HA 1 43 LEU MD2 4.310 . 4.510 3.339 1.807 4.282 . 0 0 "[ . 1 . 2]" 1
1250 1 40 MET HA 1 40 MET ME 3.610 . 3.810 2.299 1.844 2.532 . 0 0 "[ . 1 . 2]" 1
1251 1 40 MET HA 1 42 ASN H 4.200 . 4.400 4.016 3.883 4.268 . 0 0 "[ . 1 . 2]" 1
1252 1 40 MET HG2 1 43 LEU QD 5.440 . 5.640 4.820 4.383 5.365 . 0 0 "[ . 1 . 2]" 1
1253 1 40 MET HA 1 44 VAL QG 5.310 . 5.510 4.109 3.320 4.489 . 0 0 "[ . 1 . 2]" 1
1254 1 40 MET HB3 1 40 MET ME 3.470 . 3.670 3.539 3.383 3.643 . 0 0 "[ . 1 . 2]" 1
1255 1 40 MET HG3 1 41 GLU H 4.700 . 4.900 3.550 3.327 3.788 . 0 0 "[ . 1 . 2]" 1
1256 1 40 MET ME 1 45 ALA H 5.500 . 5.700 5.697 5.388 5.800 0.100 5 0 "[ . 1 . 2]" 1
1257 1 40 MET ME 1 42 ASN H 5.500 . 5.700 5.611 5.128 5.756 0.056 16 0 "[ . 1 . 2]" 1
1258 1 40 MET HA 1 43 LEU H 3.890 . 4.090 3.087 2.944 3.320 . 0 0 "[ . 1 . 2]" 1
1259 1 40 MET HB2 1 40 MET ME 3.240 . 3.440 2.233 2.037 2.375 . 0 0 "[ . 1 . 2]" 1
1260 1 40 MET H 1 40 MET HG2 4.510 . 4.710 4.537 4.390 4.600 . 0 0 "[ . 1 . 2]" 1
1261 1 40 MET ME 1 43 LEU HG 4.000 . 4.200 3.650 3.102 4.216 0.016 1 0 "[ . 1 . 2]" 1
1262 1 40 MET H 1 41 GLU QG 4.670 . 4.870 4.561 4.326 4.771 . 0 0 "[ . 1 . 2]" 1
1263 1 40 MET ME 1 43 LEU QD 3.150 . 3.350 2.091 1.921 2.658 . 0 0 "[ . 1 . 2]" 1
1264 1 40 MET HG2 1 44 VAL MG1 5.000 . 5.200 4.168 3.118 4.706 . 0 0 "[ . 1 . 2]" 1
1265 1 40 MET HA 1 43 LEU HA 5.480 . 5.680 4.925 4.576 5.309 . 0 0 "[ . 1 . 2]" 1
1266 1 40 MET HG2 1 44 VAL QG 4.340 . 4.540 3.896 2.931 4.310 . 0 0 "[ . 1 . 2]" 1
1267 1 40 MET HG3 1 42 ASN H 5.290 . 5.490 5.305 5.032 5.499 0.009 9 0 "[ . 1 . 2]" 1
1268 1 40 MET ME 1 44 VAL H 3.740 . 3.940 3.572 3.087 3.758 . 0 0 "[ . 1 . 2]" 1
1269 1 40 MET HA 1 43 LEU QD 3.460 . 3.660 2.126 1.793 2.543 0.007 11 0 "[ . 1 . 2]" 1
1270 1 40 MET H 1 40 MET HG3 3.990 . 4.190 4.219 4.149 4.344 0.154 6 0 "[ . 1 . 2]" 1
1271 1 40 MET H 1 43 LEU QD 4.390 . 4.590 3.663 3.093 4.070 . 0 0 "[ . 1 . 2]" 1
1272 1 40 MET HG3 1 44 VAL HB 3.930 . 4.130 3.784 3.322 4.368 0.238 20 0 "[ . 1 . 2]" 1
1273 1 40 MET ME 1 44 VAL QG 3.310 . 3.510 3.221 2.097 3.548 0.038 19 0 "[ . 1 . 2]" 1
1274 1 40 MET ME 1 43 LEU HB2 3.800 . 4.000 2.427 1.917 2.687 . 0 0 "[ . 1 . 2]" 1
1275 1 40 MET HG3 1 44 VAL QG 4.130 . 4.330 2.942 1.987 3.408 . 0 0 "[ . 1 . 2]" 1
1276 1 40 MET HA 1 40 MET HG3 3.950 . 4.150 3.477 2.942 3.676 . 0 0 "[ . 1 . 2]" 1
1277 1 40 MET ME 1 43 LEU MD1 5.000 . 5.200 2.691 1.925 4.436 . 0 0 "[ . 1 . 2]" 1
1278 1 40 MET ME 1 40 MET HG2 3.490 . 3.690 2.771 2.557 3.425 . 0 0 "[ . 1 . 2]" 1
1279 1 40 MET H 1 41 GLU H 3.300 . 3.500 2.775 2.653 2.864 . 0 0 "[ . 1 . 2]" 1
1280 1 40 MET HG3 1 41 GLU QB 4.320 . 4.520 4.291 4.078 4.556 0.036 8 0 "[ . 1 . 2]" 1
1281 1 40 MET H 1 41 GLU HA 5.500 . 5.700 5.258 5.161 5.354 . 0 0 "[ . 1 . 2]" 1
1282 1 40 MET HB2 1 43 LEU HB2 4.850 . 5.050 4.277 3.711 5.041 . 0 0 "[ . 1 . 2]" 1
1283 1 41 GLU QB 1 42 ASN HA 4.830 . 5.030 4.613 4.507 4.705 . 0 0 "[ . 1 . 2]" 1
1284 1 41 GLU HA 1 44 VAL MG2 4.430 . 4.630 4.074 1.856 4.717 0.087 11 0 "[ . 1 . 2]" 1
1285 1 41 GLU HA 1 44 VAL H 4.380 . 4.580 3.615 3.380 3.811 . 0 0 "[ . 1 . 2]" 1
1286 1 41 GLU HG3 1 42 ASN HA 5.500 . 5.700 3.664 3.193 4.828 . 0 0 "[ . 1 . 2]" 1
1287 1 41 GLU H 1 42 ASN QB 4.920 . 5.120 4.360 4.208 4.480 . 0 0 "[ . 1 . 2]" 1
1288 1 41 GLU QG 1 42 ASN H 3.900 . 4.100 2.423 2.178 2.868 . 0 0 "[ . 1 . 2]" 1
1289 1 41 GLU HG2 1 42 ASN HA 5.500 . 5.700 4.614 4.225 5.661 . 0 0 "[ . 1 . 2]" 1
1290 1 41 GLU H 1 41 GLU QG 3.470 . 3.670 2.451 2.243 2.628 . 0 0 "[ . 1 . 2]" 1
1291 1 41 GLU QG 1 42 ASN HA 4.650 . 4.850 3.524 3.136 4.573 . 0 0 "[ . 1 . 2]" 1
1292 1 41 GLU QB 1 42 ASN H 3.520 . 3.720 3.572 3.505 3.668 . 0 0 "[ . 1 . 2]" 1
1293 1 41 GLU HA 1 43 LEU H 4.840 . 5.040 4.454 4.329 4.567 . 0 0 "[ . 1 . 2]" 1
1294 1 41 GLU HA 1 44 VAL QG 3.390 . 3.590 1.916 1.813 2.002 . 0 0 "[ . 1 . 2]" 1
1295 1 41 GLU HG3 1 45 ALA MB 5.000 . 5.200 4.332 3.997 5.262 0.062 16 0 "[ . 1 . 2]" 1
1296 1 41 GLU QG 1 45 ALA MB 4.470 . 4.670 4.135 3.887 4.743 0.073 16 0 "[ . 1 . 2]" 1
1297 1 41 GLU HG2 1 45 ALA MB 5.000 . 5.200 5.343 5.299 5.421 0.221 1 0 "[ . 1 . 2]" 1
1298 1 41 GLU H 1 41 GLU QB 3.090 . 3.290 2.481 2.369 2.588 . 0 0 "[ . 1 . 2]" 1
1299 1 41 GLU HA 1 44 VAL MG1 4.000 . 4.200 2.317 1.815 3.912 . 0 0 "[ . 1 . 2]" 1
1300 1 42 ASN HD21 1 43 LEU HB2 5.120 . 5.320 4.757 4.241 5.088 . 0 0 "[ . 1 . 2]" 1
1301 1 42 ASN HB3 1 43 LEU H 4.110 . 4.310 2.524 2.419 2.646 . 0 0 "[ . 1 . 2]" 1
1302 1 42 ASN HA 1 42 ASN HD21 4.580 . 4.780 4.127 4.011 4.201 . 0 0 "[ . 1 . 2]" 1
1303 1 42 ASN QB 1 43 LEU H 3.460 . 3.660 2.493 2.392 2.609 . 0 0 "[ . 1 . 2]" 1
1304 1 42 ASN H 1 43 LEU QD 4.300 . 4.500 3.994 3.496 4.498 . 0 0 "[ . 1 . 2]" 1
1305 1 42 ASN QB 1 43 LEU QD 3.830 . 4.030 3.003 2.585 3.531 . 0 0 "[ . 1 . 2]" 1
1306 1 42 ASN QB 1 43 LEU HB2 5.340 . 5.540 4.882 4.458 5.110 . 0 0 "[ . 1 . 2]" 1
1307 1 42 ASN H 1 42 ASN HD21 4.870 . 5.070 4.180 3.994 4.363 . 0 0 "[ . 1 . 2]" 1
1308 1 42 ASN HD21 1 44 VAL H 5.270 . 5.470 5.345 5.136 5.480 0.010 6 0 "[ . 1 . 2]" 1
1309 1 42 ASN HD21 1 43 LEU HG 4.770 . 4.970 3.640 2.520 4.605 . 0 0 "[ . 1 . 2]" 1
1310 1 42 ASN HA 1 43 LEU QD 4.810 . 5.010 4.725 4.471 5.020 0.010 1 0 "[ . 1 . 2]" 1
1311 1 42 ASN QB 1 43 LEU HB3 5.340 . 5.540 5.481 5.287 5.585 0.045 2 0 "[ . 1 . 2]" 1
1312 1 42 ASN HA 1 44 VAL H 4.980 . 5.180 4.656 4.522 4.786 . 0 0 "[ . 1 . 2]" 1
1313 1 42 ASN HD21 1 43 LEU HA 4.780 . 4.980 3.163 2.987 3.445 . 0 0 "[ . 1 . 2]" 1
1314 1 42 ASN H 1 44 VAL H 4.460 . 4.660 4.051 3.935 4.173 . 0 0 "[ . 1 . 2]" 1
1315 1 42 ASN H 1 45 ALA MB 5.150 . 5.350 4.331 4.157 4.457 . 0 0 "[ . 1 . 2]" 1
1316 1 42 ASN HA 1 45 ALA H 3.930 . 4.130 3.451 3.288 3.623 . 0 0 "[ . 1 . 2]" 1
1317 1 42 ASN HA 1 45 ALA MB 3.130 . 3.330 2.436 2.208 2.647 . 0 0 "[ . 1 . 2]" 1
1318 1 42 ASN HB2 1 45 ALA MB 5.000 . 5.200 4.418 4.183 4.648 . 0 0 "[ . 1 . 2]" 1
1319 1 42 ASN H 1 42 ASN HD22 5.500 . 5.700 5.543 5.407 5.659 . 0 0 "[ . 1 . 2]" 1
1320 1 42 ASN H 1 43 LEU H 3.190 . 3.390 2.430 2.355 2.560 . 0 0 "[ . 1 . 2]" 1
1321 1 42 ASN H 1 42 ASN QB 2.950 . 3.150 2.218 2.163 2.268 . 0 0 "[ . 1 . 2]" 1
1322 1 42 ASN H 1 42 ASN HB3 3.440 . 3.640 2.318 2.234 2.411 . 0 0 "[ . 1 . 2]" 1
1323 1 42 ASN HB3 1 45 ALA MB 5.000 . 5.200 4.866 4.709 5.046 . 0 0 "[ . 1 . 2]" 1
1324 1 42 ASN H 1 45 ALA H 4.870 . 5.070 4.365 4.254 4.492 . 0 0 "[ . 1 . 2]" 1
1325 1 42 ASN H 1 42 ASN HB2 3.440 . 3.640 2.842 2.672 2.940 . 0 0 "[ . 1 . 2]" 1
1326 1 42 ASN HA 1 42 ASN HD22 4.670 . 4.870 4.665 4.536 4.773 . 0 0 "[ . 1 . 2]" 1
1327 1 42 ASN HD21 1 46 TYR H 5.480 . 5.680 5.586 5.406 5.733 0.053 8 0 "[ . 1 . 2]" 1
1328 1 42 ASN HA 1 43 LEU HA 4.970 . 5.170 4.848 4.758 4.925 . 0 0 "[ . 1 . 2]" 1
1329 1 42 ASN HB2 1 43 LEU H 4.110 . 4.310 3.876 3.786 3.968 . 0 0 "[ . 1 . 2]" 1
1330 1 42 ASN HA 1 46 TYR H 5.300 . 5.500 4.178 3.890 4.302 . 0 0 "[ . 1 . 2]" 1
1331 1 42 ASN HD22 1 43 LEU HB3 5.500 . 5.700 5.751 5.442 5.842 0.142 16 0 "[ . 1 . 2]" 1
1332 1 42 ASN QB 1 43 LEU HG 5.340 . 5.540 4.046 3.165 5.535 . 0 0 "[ . 1 . 2]" 1
1333 1 42 ASN QB 1 42 ASN HD22 3.520 . 3.720 3.290 3.257 3.308 . 0 0 "[ . 1 . 2]" 1
1334 1 42 ASN HD21 1 43 LEU HB3 4.790 . 4.990 4.704 4.443 4.887 . 0 0 "[ . 1 . 2]" 1
1335 1 42 ASN QB 1 45 ALA MB 4.470 . 4.670 4.102 3.914 4.293 . 0 0 "[ . 1 . 2]" 1
1336 1 43 LEU HG 2 20 LEU MD1 5.470 . 5.670 5.273 4.410 5.712 0.042 7 0 "[ . 1 . 2]" 1
1337 1 43 LEU HA 1 43 LEU QD 3.030 . 3.230 2.242 2.051 2.367 . 0 0 "[ . 1 . 2]" 1
1338 1 43 LEU H 1 44 VAL HA 5.500 . 5.700 5.271 5.196 5.385 . 0 0 "[ . 1 . 2]" 1
1339 1 43 LEU HB3 1 44 VAL HA 4.990 . 5.190 4.329 3.749 4.711 . 0 0 "[ . 1 . 2]" 1
1340 1 43 LEU HA 1 46 TYR QD 4.590 . 4.790 4.544 4.237 4.706 . 0 0 "[ . 1 . 2]" 1
1341 1 43 LEU HA 1 44 VAL HA 5.500 . 5.700 4.638 4.573 4.691 . 0 0 "[ . 1 . 2]" 1
1342 1 43 LEU HA 1 46 TYR H 4.060 . 4.260 3.831 3.633 4.047 . 0 0 "[ . 1 . 2]" 1
1343 1 43 LEU HG 2 20 LEU MD2 5.470 . 5.670 4.772 3.562 5.559 . 0 0 "[ . 1 . 2]" 1
1344 1 43 LEU HB2 1 44 VAL QG 4.700 . 4.900 3.773 2.879 4.102 . 0 0 "[ . 1 . 2]" 1
1345 1 43 LEU H 1 44 VAL QG 4.050 . 4.250 4.014 3.645 4.208 . 0 0 "[ . 1 . 2]" 1
1346 1 43 LEU HB3 1 43 LEU QD 2.920 . 3.120 2.230 2.099 2.549 . 0 0 "[ . 1 . 2]" 1
1347 1 43 LEU H 1 43 LEU HG 4.090 . 4.290 2.654 1.988 4.097 . 0 0 "[ . 1 . 2]" 1
1348 1 43 LEU HB2 1 43 LEU QD 2.750 . 2.950 2.285 2.209 2.348 . 0 0 "[ . 1 . 2]" 1
1349 1 43 LEU H 1 43 LEU HB2 3.010 . 3.210 2.643 2.248 2.875 . 0 0 "[ . 1 . 2]" 1
1350 1 43 LEU H 1 43 LEU HB3 3.610 . 3.810 3.553 3.464 3.685 . 0 0 "[ . 1 . 2]" 1
1351 1 43 LEU H 1 45 ALA MB 4.730 . 4.930 4.494 4.400 4.584 . 0 0 "[ . 1 . 2]" 1
1352 1 43 LEU H 1 43 LEU QD 3.460 . 3.660 2.501 1.990 2.955 . 0 0 "[ . 1 . 2]" 1
1353 1 43 LEU HB3 1 45 ALA H 5.500 . 5.700 5.374 4.955 5.651 . 0 0 "[ . 1 . 2]" 1
1354 1 43 LEU HA 1 45 ALA H 4.630 . 4.830 4.357 4.245 4.490 . 0 0 "[ . 1 . 2]" 1
1355 1 43 LEU HA 1 43 LEU HB3 2.750 . 2.950 2.358 2.259 2.549 . 0 0 "[ . 1 . 2]" 1
1356 1 43 LEU HG 2 20 LEU QD 4.760 . 4.960 4.392 3.420 4.973 0.013 13 0 "[ . 1 . 2]" 1
1357 1 43 LEU HB2 1 44 VAL HA 4.660 . 4.860 4.087 3.943 4.393 . 0 0 "[ . 1 . 2]" 1
1358 1 43 LEU H 1 44 VAL H 3.270 . 3.470 2.711 2.622 2.838 . 0 0 "[ . 1 . 2]" 1
1359 1 43 LEU HA 1 46 TYR HB3 3.460 . 3.660 3.302 3.033 3.621 . 0 0 "[ . 1 . 2]" 1
1360 1 43 LEU HB2 1 44 VAL H 3.480 . 3.680 2.340 2.187 2.498 . 0 0 "[ . 1 . 2]" 1
1361 1 43 LEU HB3 1 44 VAL H 4.220 . 4.420 3.449 2.862 3.797 . 0 0 "[ . 1 . 2]" 1
1362 1 44 VAL HA 1 48 LYS H 4.480 . 4.680 3.676 3.425 3.773 . 0 0 "[ . 1 . 2]" 1
1363 1 44 VAL H 1 45 ALA H 3.310 . 3.510 2.533 2.467 2.642 . 0 0 "[ . 1 . 2]" 1
1364 1 44 VAL HA 1 48 LYS HE2 5.360 . 5.560 4.792 4.323 5.632 0.072 16 0 "[ . 1 . 2]" 1
1365 1 44 VAL MG1 1 48 LYS HE3 4.660 . 4.860 3.118 2.045 4.811 . 0 0 "[ . 1 . 2]" 1
1366 1 44 VAL HA 1 48 LYS HD2 5.130 . 5.330 4.982 4.554 5.227 . 0 0 "[ . 1 . 2]" 1
1367 1 44 VAL MG2 1 48 LYS HG3 4.750 . 4.950 2.628 2.166 3.943 . 0 0 "[ . 1 . 2]" 1
1368 1 44 VAL MG2 1 48 LYS HE3 4.660 . 4.860 3.233 1.957 3.694 . 0 0 "[ . 1 . 2]" 1
1369 1 44 VAL HA 1 47 ALA H 3.930 . 4.130 2.979 2.904 3.053 . 0 0 "[ . 1 . 2]" 1
1370 1 44 VAL H 1 45 ALA MB 4.540 . 4.740 4.255 4.193 4.332 . 0 0 "[ . 1 . 2]" 1
1371 1 44 VAL HA 1 44 VAL QG 2.850 . 3.050 2.231 2.187 2.297 . 0 0 "[ . 1 . 2]" 1
1372 1 44 VAL H 1 47 ALA MB 4.960 . 5.160 4.478 4.402 4.580 . 0 0 "[ . 1 . 2]" 1
1373 1 44 VAL H 1 46 TYR H 4.620 . 4.820 4.350 4.255 4.440 . 0 0 "[ . 1 . 2]" 1
1374 1 44 VAL QG 1 48 LYS HE3 3.250 . 3.450 2.693 1.779 3.057 0.021 4 0 "[ . 1 . 2]" 1
1375 1 44 VAL QG 1 48 LYS HG3 4.180 . 4.380 2.545 2.146 3.590 . 0 0 "[ . 1 . 2]" 1
1376 1 44 VAL HB 1 45 ALA HA 5.410 . 5.610 5.439 4.615 5.683 0.073 2 0 "[ . 1 . 2]" 1
1377 1 44 VAL HA 1 44 VAL MG1 3.360 . 3.560 3.046 2.324 3.233 . 0 0 "[ . 1 . 2]" 1
1378 1 44 VAL QG 1 48 LYS HD2 3.560 . 3.760 2.723 2.444 3.105 . 0 0 "[ . 1 . 2]" 1
1379 1 44 VAL HA 1 47 ALA MB 3.300 . 3.500 2.137 2.050 2.243 . 0 0 "[ . 1 . 2]" 1
1380 1 44 VAL H 1 44 VAL MG2 3.530 . 3.730 3.378 2.088 3.736 0.006 3 0 "[ . 1 . 2]" 1
1381 1 44 VAL QG 1 45 ALA HA 3.770 . 3.970 3.181 3.085 3.408 . 0 0 "[ . 1 . 2]" 1
1382 1 44 VAL HA 1 46 TYR H 4.810 . 5.010 4.337 4.280 4.398 . 0 0 "[ . 1 . 2]" 1
1383 1 44 VAL H 1 44 VAL MG1 3.530 . 3.730 2.369 2.194 2.442 . 0 0 "[ . 1 . 2]" 1
1384 1 44 VAL QG 1 45 ALA MB 3.490 . 3.690 3.320 3.226 3.407 . 0 0 "[ . 1 . 2]" 1
1385 1 44 VAL HB 1 45 ALA H 3.740 . 3.940 3.905 3.831 3.974 0.034 6 0 "[ . 1 . 2]" 1
1386 1 44 VAL QG 1 47 ALA MB 3.680 . 3.880 2.851 2.638 3.271 . 0 0 "[ . 1 . 2]" 1
1387 1 44 VAL MG1 1 48 LYS HG3 4.750 . 4.950 3.653 3.378 4.278 . 0 0 "[ . 1 . 2]" 1
1388 1 44 VAL HA 1 47 ALA HA 5.500 . 5.700 4.805 4.696 4.933 . 0 0 "[ . 1 . 2]" 1
1389 1 44 VAL HA 1 44 VAL MG2 3.360 . 3.560 2.452 2.227 3.233 . 0 0 "[ . 1 . 2]" 1
1390 1 44 VAL QG 1 45 ALA H 3.670 . 3.870 2.413 2.310 2.467 . 0 0 "[ . 1 . 2]" 1
1391 1 44 VAL QG 1 48 LYS HE2 4.460 . 4.660 2.207 1.798 3.655 0.002 1 0 "[ . 1 . 2]" 1
1392 1 44 VAL H 1 44 VAL QG 2.980 . 3.180 2.268 1.957 2.410 . 0 0 "[ . 1 . 2]" 1
1393 1 44 VAL MG1 1 48 LYS HG2 5.000 . 5.200 4.720 4.460 5.245 0.045 6 0 "[ . 1 . 2]" 1
1394 1 44 VAL H 1 44 VAL HB 3.680 . 3.880 2.599 2.243 3.689 . 0 0 "[ . 1 . 2]" 1
1395 1 44 VAL HB 1 48 LYS HE2 5.390 . 5.590 4.105 2.076 5.539 . 0 0 "[ . 1 . 2]" 1
1396 1 45 ALA H 1 48 LYS HG3 5.350 . 5.550 4.982 4.784 5.169 . 0 0 "[ . 1 . 2]" 1
1397 1 45 ALA MB 1 48 LYS HD2 3.920 . 4.120 3.961 3.779 4.135 0.015 7 0 "[ . 1 . 2]" 1
1398 1 45 ALA HA 1 49 LYS HB3 5.500 . 5.700 4.979 4.876 5.198 . 0 0 "[ . 1 . 2]" 1
1399 1 45 ALA HA 1 48 LYS HD3 3.670 . 3.870 3.911 3.810 3.961 0.091 16 0 "[ . 1 . 2]" 1
1400 1 45 ALA H 1 48 LYS HD2 4.150 . 4.350 4.277 4.093 4.366 0.016 17 0 "[ . 1 . 2]" 1
1401 1 45 ALA H 1 45 ALA MB 2.760 . 2.960 2.257 2.227 2.295 . 0 0 "[ . 1 . 2]" 1
1402 1 45 ALA HA 1 48 LYS HG3 4.350 . 4.550 3.819 3.616 4.159 . 0 0 "[ . 1 . 2]" 1
1403 1 45 ALA H 1 48 LYS H 4.760 . 4.960 4.629 4.583 4.686 . 0 0 "[ . 1 . 2]" 1
1404 1 45 ALA MB 1 49 LYS HG2 4.510 . 4.710 4.702 4.573 4.750 0.040 4 0 "[ . 1 . 2]" 1
1405 1 45 ALA HA 1 48 LYS QB . . 3.780 2.763 2.630 2.905 . 0 0 "[ . 1 . 2]" 1
1406 1 45 ALA MB 1 46 TYR HA 4.010 . 4.210 3.943 3.890 4.005 . 0 0 "[ . 1 . 2]" 1
1407 1 45 ALA MB 1 49 LYS HD3 4.740 . 4.940 4.018 3.849 4.315 . 0 0 "[ . 1 . 2]" 1
1408 1 45 ALA HA 1 48 LYS HD2 3.660 . 3.860 2.439 2.251 2.624 . 0 0 "[ . 1 . 2]" 1
1409 1 45 ALA HA 1 47 ALA H 4.870 . 5.070 4.497 4.408 4.656 . 0 0 "[ . 1 . 2]" 1
1410 1 45 ALA MB 1 46 TYR HB3 4.430 . 4.630 4.349 4.242 4.486 . 0 0 "[ . 1 . 2]" 1
1411 1 45 ALA HA 1 48 LYS HE3 4.800 . 5.000 4.503 4.085 4.757 . 0 0 "[ . 1 . 2]" 1
1412 1 45 ALA HA 1 46 TYR HA 4.910 . 5.110 4.837 4.806 4.885 . 0 0 "[ . 1 . 2]" 1
1413 1 45 ALA H 1 46 TYR QB 4.770 . 4.970 4.493 4.365 4.685 . 0 0 "[ . 1 . 2]" 1
1414 1 45 ALA HA 1 48 LYS HG2 5.000 . 5.200 4.969 4.799 5.209 0.009 20 0 "[ . 1 . 2]" 1
1415 1 45 ALA MB 1 46 TYR H 2.990 . 3.190 2.384 2.306 2.483 . 0 0 "[ . 1 . 2]" 1
1416 1 46 TYR HA 1 46 TYR HE1 5.500 . 5.700 5.935 5.279 6.074 0.374 19 0 "[ . 1 . 2]" 1
1417 1 46 TYR QD 1 47 ALA HA 4.250 . 4.450 2.776 2.629 2.905 . 0 0 "[ . 1 . 2]" 1
1418 1 46 TYR HB2 1 49 LYS HD3 4.650 . 4.850 4.102 4.014 4.175 . 0 0 "[ . 1 . 2]" 1
1419 1 46 TYR QB 1 49 LYS H 5.470 . 5.670 5.053 5.014 5.142 . 0 0 "[ . 1 . 2]" 1
1420 1 46 TYR QD 1 49 LYS QE 5.000 . 5.200 2.064 1.978 2.281 . 0 0 "[ . 1 . 2]" 1
1421 1 46 TYR HE1 1 71 LYS QE 5.500 . 5.700 4.040 3.251 5.147 . 0 0 "[ . 1 . 2]" 1
1422 1 46 TYR HE1 1 50 VAL MG1 . . 4.900 3.851 3.498 4.228 . 0 0 "[ . 1 . 2]" 1
1423 1 46 TYR HE1 1 50 VAL HB 5.380 . 5.580 4.212 3.919 4.844 . 0 0 "[ . 1 . 2]" 1
1424 1 46 TYR HA 1 49 LYS H 4.040 . 4.240 3.444 3.376 3.536 . 0 0 "[ . 1 . 2]" 1
1425 1 46 TYR QD 1 50 VAL MG1 5.000 . 5.200 4.694 4.558 4.794 . 0 0 "[ . 1 . 2]" 1
1426 1 46 TYR HA 1 46 TYR QD 4.270 . 4.470 3.192 3.107 3.281 . 0 0 "[ . 1 . 2]" 1
1427 1 46 TYR HA 1 49 LYS HB2 4.000 . 4.200 4.460 4.436 4.489 0.289 6 0 "[ . 1 . 2]" 1
1428 1 46 TYR HA 1 50 VAL QG 4.700 . 4.900 3.554 3.451 3.644 . 0 0 "[ . 1 . 2]" 1
1429 1 46 TYR H 1 46 TYR QB 2.880 . 3.080 2.248 2.200 2.294 . 0 0 "[ . 1 . 2]" 1
1430 1 46 TYR HB3 1 47 ALA MB 4.820 . 5.020 4.057 3.970 4.124 . 0 0 "[ . 1 . 2]" 1
1431 1 46 TYR QB 1 47 ALA H 3.280 . 3.480 2.630 2.562 2.695 . 0 0 "[ . 1 . 2]" 1
1432 1 46 TYR HA 1 49 LYS QE 4.140 . 4.340 1.996 1.859 2.201 . 0 0 "[ . 1 . 2]" 1
1433 1 46 TYR HA 1 48 LYS H 4.850 . 5.050 4.467 4.391 4.524 . 0 0 "[ . 1 . 2]" 1
1434 1 46 TYR HA 1 49 LYS HD2 3.850 . 4.050 3.730 3.661 3.794 . 0 0 "[ . 1 . 2]" 1
1435 1 46 TYR HA 1 49 LYS HG3 3.930 . 4.130 3.145 3.063 3.242 . 0 0 "[ . 1 . 2]" 1
1436 1 46 TYR H 1 46 TYR QD 4.200 . 4.400 4.129 4.068 4.176 . 0 0 "[ . 1 . 2]" 1
1437 1 46 TYR H 1 47 ALA H 3.250 . 3.450 2.707 2.625 2.783 . 0 0 "[ . 1 . 2]" 1
1438 1 46 TYR QD 1 47 ALA MB 4.760 . 4.960 2.847 2.663 3.050 . 0 0 "[ . 1 . 2]" 1
1439 1 46 TYR HB2 1 49 LYS HD2 5.330 . 5.530 5.361 5.238 5.466 . 0 0 "[ . 1 . 2]" 1
1440 1 46 TYR HE1 1 50 VAL QG 3.580 . 3.780 3.179 2.453 3.483 . 0 0 "[ . 1 . 2]" 1
1441 1 46 TYR HE1 1 50 VAL MG2 4.700 . 4.900 3.414 2.469 3.816 . 0 0 "[ . 1 . 2]" 1
1442 1 46 TYR QD 1 47 ALA H 3.780 . 3.980 2.711 2.571 2.861 . 0 0 "[ . 1 . 2]" 1
1443 1 46 TYR HA 1 50 VAL H 4.030 . 4.230 3.916 3.835 3.986 . 0 0 "[ . 1 . 2]" 1
1444 1 46 TYR HA 1 49 LYS HB3 4.000 . 4.200 3.737 3.640 3.794 . 0 0 "[ . 1 . 2]" 1
1445 1 46 TYR QB 1 48 LYS H 5.030 . 5.230 4.872 4.820 4.950 . 0 0 "[ . 1 . 2]" 1
1446 1 46 TYR H 1 48 LYS H 4.430 . 4.630 4.237 4.130 4.303 . 0 0 "[ . 1 . 2]" 1
1447 1 46 TYR QD 1 50 VAL MG2 5.000 . 5.200 3.123 3.019 3.241 . 0 0 "[ . 1 . 2]" 1
1448 1 46 TYR HA 1 49 LYS HG2 3.760 . 3.960 1.845 1.813 1.886 . 0 0 "[ . 1 . 2]" 1
1449 1 46 TYR HB3 1 49 LYS HD3 5.020 . 5.220 5.230 5.109 5.282 0.062 11 0 "[ . 1 . 2]" 1
1450 1 46 TYR QD 1 50 VAL QG 3.970 . 4.170 3.079 2.984 3.178 . 0 0 "[ . 1 . 2]" 1
1451 1 47 ALA HA 1 49 LYS H 5.100 . 5.300 4.483 4.365 4.560 . 0 0 "[ . 1 . 2]" 1
1452 1 47 ALA H 1 49 LYS H 4.660 . 4.860 4.181 4.115 4.235 . 0 0 "[ . 1 . 2]" 1
1453 1 47 ALA H 1 48 LYS HD2 5.380 . 5.580 5.583 5.500 5.610 0.030 3 0 "[ . 1 . 2]" 1
1454 1 47 ALA HA 1 51 GLU H 4.160 . 4.360 3.776 3.721 3.872 . 0 0 "[ . 1 . 2]" 1
1455 1 47 ALA H 1 48 LYS QB 5.060 . 5.260 4.564 4.505 4.624 . 0 0 "[ . 1 . 2]" 1
1456 1 47 ALA HA 1 50 VAL QG 3.710 . 3.910 3.391 3.204 3.582 . 0 0 "[ . 1 . 2]" 1
1457 1 47 ALA H 1 50 VAL QG 4.790 . 4.990 4.664 4.461 4.798 . 0 0 "[ . 1 . 2]" 1
1458 1 47 ALA HA 1 50 VAL HB 3.000 . 3.200 2.761 2.513 2.992 . 0 0 "[ . 1 . 2]" 1
1459 1 47 ALA H 1 50 VAL HB 5.500 . 5.700 5.002 4.850 5.145 . 0 0 "[ . 1 . 2]" 1
1460 1 47 ALA MB 1 48 LYS H 3.310 . 3.510 2.525 2.421 2.639 . 0 0 "[ . 1 . 2]" 1
1461 1 47 ALA H 1 48 LYS H 3.530 . 3.730 2.722 2.669 2.777 . 0 0 "[ . 1 . 2]" 1
1462 1 47 ALA HA 1 49 LYS QE 5.500 . 5.700 5.600 5.400 5.722 0.022 9 0 "[ . 1 . 2]" 1
1463 1 47 ALA HA 1 50 VAL MG1 5.000 . 5.200 3.976 3.735 4.143 . 0 0 "[ . 1 . 2]" 1
1464 1 47 ALA HA 1 49 LYS HG2 4.920 . 5.120 4.701 4.632 4.772 . 0 0 "[ . 1 . 2]" 1
1465 1 47 ALA HA 1 50 VAL MG2 5.000 . 5.200 3.681 3.424 3.920 . 0 0 "[ . 1 . 2]" 1
1466 1 47 ALA H 1 47 ALA MB 2.880 . 3.080 2.214 2.180 2.228 . 0 0 "[ . 1 . 2]" 1
1467 1 48 LYS HA 1 48 LYS HG2 3.730 . 3.930 2.611 2.549 2.676 . 0 0 "[ . 1 . 2]" 1
1468 1 48 LYS HA 1 48 LYS HE2 5.190 . 5.390 5.180 4.928 5.356 . 0 0 "[ . 1 . 2]" 1
1469 1 48 LYS HE2 1 48 LYS HG2 3.600 . 3.800 2.907 2.375 3.131 . 0 0 "[ . 1 . 2]" 1
1470 1 48 LYS QB 1 48 LYS HE3 4.280 . 4.480 4.194 3.965 4.250 . 0 0 "[ . 1 . 2]" 1
1471 1 48 LYS H 1 48 LYS HG3 3.800 . 4.000 2.334 2.246 2.410 . 0 0 "[ . 1 . 2]" 1
1472 1 48 LYS QB 1 48 LYS HE2 4.770 . 4.970 3.985 3.906 4.019 . 0 0 "[ . 1 . 2]" 1
1473 1 48 LYS HD2 1 49 LYS H 5.180 . 5.380 4.833 4.698 4.971 . 0 0 "[ . 1 . 2]" 1
1474 1 48 LYS HE2 1 48 LYS HG3 4.130 . 4.330 2.604 2.505 2.976 . 0 0 "[ . 1 . 2]" 1
1475 1 48 LYS H 1 48 LYS QB 3.170 . 3.370 2.302 2.234 2.368 . 0 0 "[ . 1 . 2]" 1
1476 1 48 LYS H 1 51 GLU H 5.000 . 5.200 4.567 4.513 4.706 . 0 0 "[ . 1 . 2]" 1
1477 1 48 LYS H 1 48 LYS HE3 5.500 . 5.700 5.550 4.595 5.751 0.051 2 0 "[ . 1 . 2]" 1
1478 1 48 LYS HA 1 51 GLU HB2 4.480 . 4.680 3.426 2.823 3.616 . 0 0 "[ . 1 . 2]" 1
1479 1 48 LYS QB 1 48 LYS HD2 3.150 . 3.350 2.363 2.302 2.415 . 0 0 "[ . 1 . 2]" 1
1480 1 48 LYS H 1 49 LYS HB3 5.500 . 5.700 5.123 5.008 5.252 . 0 0 "[ . 1 . 2]" 1
1481 1 48 LYS QB 1 49 LYS HG2 4.080 . 4.280 4.349 4.318 4.376 0.096 19 0 "[ . 1 . 2]" 1
1482 1 48 LYS H 1 48 LYS HE2 5.270 . 5.470 4.747 4.533 5.254 . 0 0 "[ . 1 . 2]" 1
1483 1 48 LYS H 1 49 LYS H 3.380 . 3.580 2.691 2.635 2.776 . 0 0 "[ . 1 . 2]" 1
1484 1 48 LYS HA 1 51 GLU H 4.400 . 4.600 3.556 3.472 3.751 . 0 0 "[ . 1 . 2]" 1
1485 1 48 LYS H 1 51 GLU HB2 5.410 . 5.610 5.070 4.905 5.197 . 0 0 "[ . 1 . 2]" 1
1486 1 48 LYS H 1 48 LYS HD2 3.520 . 3.720 3.682 3.640 3.738 0.018 4 0 "[ . 1 . 2]" 1
1487 1 48 LYS HA 1 48 LYS HG3 3.270 . 3.470 2.871 2.793 2.938 . 0 0 "[ . 1 . 2]" 1
1488 1 49 LYS H 1 49 LYS HG3 3.870 . 4.070 3.489 3.395 3.564 . 0 0 "[ . 1 . 2]" 1
1489 1 49 LYS H 1 50 VAL QG 4.700 . 4.900 4.138 4.038 4.250 . 0 0 "[ . 1 . 2]" 1
1490 1 49 LYS H 1 51 GLU H 4.970 . 5.170 4.114 4.035 4.176 . 0 0 "[ . 1 . 2]" 1
1491 1 49 LYS HB2 1 49 LYS QE 3.990 . 4.190 3.842 3.639 4.020 . 0 0 "[ . 1 . 2]" 1
1492 1 49 LYS QE 1 50 VAL HA 5.500 . 5.700 5.199 4.681 5.664 . 0 0 "[ . 1 . 2]" 1
1493 1 49 LYS H 1 49 LYS HB2 3.620 . 3.820 3.639 3.614 3.655 . 0 0 "[ . 1 . 2]" 1
1494 1 49 LYS HA 1 52 GLY HA3 4.830 . 5.030 3.859 3.671 4.033 . 0 0 "[ . 1 . 2]" 1
1495 1 49 LYS HB3 1 49 LYS HD3 3.950 . 4.150 2.547 2.506 2.609 . 0 0 "[ . 1 . 2]" 1
1496 1 49 LYS HA 1 50 VAL HA 5.050 . 5.250 4.704 4.654 4.757 . 0 0 "[ . 1 . 2]" 1
1497 1 49 LYS HB2 1 53 ASP H 5.500 . 5.700 5.390 5.305 5.487 . 0 0 "[ . 1 . 2]" 1
1498 1 49 LYS HG2 1 50 VAL HA 5.500 . 5.700 4.682 4.565 4.776 . 0 0 "[ . 1 . 2]" 1
1499 1 49 LYS HD2 1 50 VAL QG 4.670 . 4.870 4.326 4.113 4.520 . 0 0 "[ . 1 . 2]" 1
1500 1 49 LYS HG3 1 50 VAL QG 3.800 . 4.000 2.248 2.094 2.387 . 0 0 "[ . 1 . 2]" 1
1501 1 49 LYS HA 1 53 ASP H 4.720 . 4.920 4.186 4.025 4.330 . 0 0 "[ . 1 . 2]" 1
1502 1 49 LYS HD3 1 50 VAL QG 4.970 . 5.170 4.467 4.369 4.605 . 0 0 "[ . 1 . 2]" 1
1503 1 49 LYS H 1 49 LYS HB3 3.180 . 3.380 2.591 2.526 2.640 . 0 0 "[ . 1 . 2]" 1
1504 1 49 LYS HB2 1 50 VAL HA 4.410 . 4.610 4.633 4.623 4.647 0.037 9 0 "[ . 1 . 2]" 1
1505 1 49 LYS HG3 1 50 VAL HA 4.490 . 4.690 3.503 3.321 3.626 . 0 0 "[ . 1 . 2]" 1
1506 1 49 LYS HA 1 49 LYS QE 5.500 . 5.700 5.577 5.421 5.714 0.014 18 0 "[ . 1 . 2]" 1
1507 1 49 LYS H 1 49 LYS HD2 5.490 . 5.690 4.733 4.638 4.819 . 0 0 "[ . 1 . 2]" 1
1508 1 49 LYS HG2 1 50 VAL H 3.360 . 3.560 2.532 2.447 2.625 . 0 0 "[ . 1 . 2]" 1
1509 1 49 LYS HA 1 49 LYS HB2 2.770 . 2.970 2.518 2.493 2.540 . 0 0 "[ . 1 . 2]" 1
1510 1 49 LYS HB2 1 49 LYS HD2 2.840 . 3.040 2.285 2.198 2.326 . 0 0 "[ . 1 . 2]" 1
1511 1 49 LYS HA 1 49 LYS HG2 3.790 . 3.990 3.715 3.688 3.739 . 0 0 "[ . 1 . 2]" 1
1512 1 49 LYS H 1 51 GLU HB2 5.500 . 5.700 5.669 5.162 5.724 0.024 10 0 "[ . 1 . 2]" 1
1513 1 49 LYS HB3 1 49 LYS QE 4.010 . 4.210 4.014 3.981 4.061 . 0 0 "[ . 1 . 2]" 1
1514 1 49 LYS HA 1 52 GLY HA2 5.500 . 5.700 5.481 5.304 5.654 . 0 0 "[ . 1 . 2]" 1
1515 1 49 LYS QE 1 50 VAL QG 4.910 . 5.110 2.939 2.594 3.239 . 0 0 "[ . 1 . 2]" 1
1516 1 49 LYS H 1 49 LYS HG2 4.140 . 4.340 2.224 2.183 2.282 . 0 0 "[ . 1 . 2]" 1
1517 1 49 LYS HA 1 52 GLY H 4.070 . 4.270 3.651 3.551 3.773 . 0 0 "[ . 1 . 2]" 1
1518 1 50 VAL MG1 1 71 LYS QE 4.210 . 4.410 2.367 1.873 3.076 . 0 0 "[ . 1 . 2]" 1
1519 1 50 VAL QG 1 54 MET HG2 4.360 . 4.560 3.580 3.417 3.648 . 0 0 "[ . 1 . 2]" 1
1520 1 50 VAL MG1 1 53 ASP H 5.220 . 5.420 4.626 4.496 4.745 . 0 0 "[ . 1 . 2]" 1
1521 1 50 VAL MG1 1 68 LEU MD2 4.500 . 4.700 4.626 4.384 4.829 0.129 1 0 "[ . 1 . 2]" 1
1522 1 50 VAL MG1 1 68 LEU MD1 4.500 . 4.700 4.441 4.234 4.633 . 0 0 "[ . 1 . 2]" 1
1523 1 50 VAL QG 1 68 LEU HB2 4.740 . 4.940 3.967 3.725 4.140 . 0 0 "[ . 1 . 2]" 1
1524 1 50 VAL QG 1 68 LEU HA 5.440 . 5.640 4.769 4.565 4.977 . 0 0 "[ . 1 . 2]" 1
1525 1 50 VAL MG1 1 54 MET ME 3.890 . 4.090 2.030 1.936 2.091 . 0 0 "[ . 1 . 2]" 1
1526 1 50 VAL H 1 51 GLU HA 5.500 . 5.700 5.194 5.145 5.232 . 0 0 "[ . 1 . 2]" 1
1527 1 50 VAL H 1 51 GLU H 4.120 . 4.320 2.592 2.519 2.649 . 0 0 "[ . 1 . 2]" 1
1528 1 50 VAL HB 1 52 GLY H 5.170 . 5.370 5.081 4.936 5.202 . 0 0 "[ . 1 . 2]" 1
1529 1 50 VAL MG2 1 52 GLY H 5.500 . 5.700 5.435 5.319 5.518 . 0 0 "[ . 1 . 2]" 1
1530 1 50 VAL H 1 50 VAL HB 3.960 . 4.160 2.329 2.284 2.383 . 0 0 "[ . 1 . 2]" 1
1531 1 50 VAL HA 1 51 GLU HA 5.130 . 5.330 4.836 4.732 4.883 . 0 0 "[ . 1 . 2]" 1
1532 1 50 VAL QG 1 51 GLU HB2 5.440 . 5.640 4.129 3.910 4.639 . 0 0 "[ . 1 . 2]" 1
1533 1 50 VAL MG2 1 51 GLU H 4.070 . 4.270 3.932 3.838 4.013 . 0 0 "[ . 1 . 2]" 1
1534 1 50 VAL QG 1 51 GLU H 3.340 . 3.540 3.034 2.911 3.144 . 0 0 "[ . 1 . 2]" 1
1535 1 50 VAL QG 1 51 GLU QG 4.670 . 4.870 4.796 3.487 4.926 0.056 2 0 "[ . 1 . 2]" 1
1536 1 50 VAL HA 1 53 ASP HA 5.500 . 5.700 5.234 4.970 5.481 . 0 0 "[ . 1 . 2]" 1
1537 1 50 VAL QG 1 53 ASP HB2 4.260 . 4.460 4.100 3.815 4.347 . 0 0 "[ . 1 . 2]" 1
1538 1 50 VAL MG1 1 53 ASP HB2 4.840 . 5.040 4.653 4.340 4.899 . 0 0 "[ . 1 . 2]" 1
1539 1 50 VAL MG2 1 53 ASP HB2 4.840 . 5.040 4.558 4.199 4.863 . 0 0 "[ . 1 . 2]" 1
1540 1 50 VAL QG 1 53 ASP HB3 4.210 . 4.410 3.515 3.271 3.764 . 0 0 "[ . 1 . 2]" 1
1541 1 50 VAL MG2 1 53 ASP H 5.220 . 5.420 5.027 4.907 5.224 . 0 0 "[ . 1 . 2]" 1
1542 1 50 VAL QG 1 53 ASP H 4.260 . 4.460 4.274 4.161 4.379 . 0 0 "[ . 1 . 2]" 1
1543 1 50 VAL HA 1 53 ASP HB3 3.850 . 4.050 2.862 2.631 3.036 . 0 0 "[ . 1 . 2]" 1
1544 1 50 VAL HA 1 53 ASP H 3.810 . 4.010 3.344 3.186 3.568 . 0 0 "[ . 1 . 2]" 1
1545 1 50 VAL QG 1 51 GLU HA 3.350 . 3.550 3.294 3.153 3.403 . 0 0 "[ . 1 . 2]" 1
1546 1 50 VAL QG 1 54 MET HG3 4.550 . 4.750 4.236 4.032 4.382 . 0 0 "[ . 1 . 2]" 1
1547 1 50 VAL HA 1 50 VAL MG2 3.100 . 3.300 2.241 2.190 2.286 . 0 0 "[ . 1 . 2]" 1
1548 1 50 VAL HA 1 53 ASP HB2 4.000 . 4.200 3.080 2.740 3.328 . 0 0 "[ . 1 . 2]" 1
1549 1 50 VAL HA 1 50 VAL MG1 3.100 . 3.300 2.551 2.516 2.584 . 0 0 "[ . 1 . 2]" 1
1550 1 50 VAL HB 1 53 ASP H 5.500 . 5.700 5.509 5.423 5.590 . 0 0 "[ . 1 . 2]" 1
1551 1 50 VAL QG 1 54 MET H 4.270 . 4.470 3.954 3.879 4.012 . 0 0 "[ . 1 . 2]" 1
1552 1 50 VAL QG 1 52 GLY H 4.530 . 4.730 4.589 4.466 4.651 . 0 0 "[ . 1 . 2]" 1
1553 1 50 VAL H 1 50 VAL QG 3.920 . 4.120 2.333 2.236 2.411 . 0 0 "[ . 1 . 2]" 1
1554 1 50 VAL HA 1 50 VAL QG 2.650 . 2.850 2.104 2.077 2.124 . 0 0 "[ . 1 . 2]" 1
1555 1 50 VAL HB 1 51 GLU HA 4.550 . 4.750 4.544 4.395 4.670 . 0 0 "[ . 1 . 2]" 1
1556 1 50 VAL MG1 1 51 GLU H 4.070 . 4.270 3.157 3.016 3.304 . 0 0 "[ . 1 . 2]" 1
1557 1 50 VAL HB 1 51 GLU H 3.510 . 3.710 2.637 2.434 2.786 . 0 0 "[ . 1 . 2]" 1
1558 1 50 VAL HB 1 71 LYS QE 5.040 . 5.240 4.525 3.825 5.248 0.008 5 0 "[ . 1 . 2]" 1
1559 1 50 VAL QG 1 71 LYS QE 3.070 . 3.270 2.342 1.868 3.014 . 0 0 "[ . 1 . 2]" 1
1560 1 50 VAL MG1 1 52 GLY H 5.500 . 5.700 4.947 4.799 5.032 . 0 0 "[ . 1 . 2]" 1
1561 1 50 VAL QG 1 54 MET ME 2.690 . 2.890 2.021 1.929 2.079 . 0 0 "[ . 1 . 2]" 1
1562 1 50 VAL MG2 1 71 LYS QE 4.210 . 4.410 3.831 3.428 4.326 . 0 0 "[ . 1 . 2]" 1
1563 1 50 VAL MG2 1 54 MET ME 3.890 . 4.090 3.701 3.536 3.820 . 0 0 "[ . 1 . 2]" 1
1564 1 50 VAL HA 1 54 MET H 4.580 . 4.780 4.190 4.057 4.307 . 0 0 "[ . 1 . 2]" 1
1565 1 50 VAL HA 1 54 MET ME 3.970 . 4.170 3.322 3.095 3.456 . 0 0 "[ . 1 . 2]" 1
1566 1 50 VAL HA 1 52 GLY H 4.690 . 4.890 4.448 4.285 4.610 . 0 0 "[ . 1 . 2]" 1
1567 1 51 GLU QG 1 68 LEU MD2 4.110 . 4.310 2.797 2.664 3.727 . 0 0 "[ . 1 . 2]" 1
1568 1 51 GLU HB2 1 52 GLY H 3.880 . 4.080 3.693 2.666 3.797 . 0 0 "[ . 1 . 2]" 1
1569 1 51 GLU HB3 1 53 ASP H 5.500 . 5.700 4.963 4.814 5.524 . 0 0 "[ . 1 . 2]" 1
1570 1 51 GLU HA 1 54 MET HB2 5.000 . 5.200 4.776 4.666 4.870 . 0 0 "[ . 1 . 2]" 1
1571 1 51 GLU HB3 1 52 GLY H 3.990 . 4.190 2.492 2.360 3.583 . 0 0 "[ . 1 . 2]" 1
1572 1 51 GLU H 1 53 ASP HB2 5.500 . 5.700 5.645 5.454 5.752 0.052 14 0 "[ . 1 . 2]" 1
1573 1 51 GLU H 1 53 ASP H 4.560 . 4.760 4.112 4.014 4.205 . 0 0 "[ . 1 . 2]" 1
1574 1 51 GLU HG3 1 52 GLY H 5.500 . 5.700 4.794 4.697 5.014 . 0 0 "[ . 1 . 2]" 1
1575 1 51 GLU HA 1 53 ASP HB3 5.500 . 5.700 5.022 4.838 5.304 . 0 0 "[ . 1 . 2]" 1
1576 1 51 GLU QG 1 68 LEU HB2 4.630 . 4.830 4.916 4.827 4.960 0.130 10 0 "[ . 1 . 2]" 1
1577 1 51 GLU H 1 51 GLU QG 3.890 . 4.090 3.861 2.305 3.984 . 0 0 "[ . 1 . 2]" 1
1578 1 51 GLU H 1 51 GLU HB2 3.450 . 3.650 2.384 2.277 2.419 . 0 0 "[ . 1 . 2]" 1
1579 1 51 GLU HB3 1 52 GLY HA3 4.980 . 5.180 4.482 4.353 5.210 0.030 1 0 "[ . 1 . 2]" 1
1580 1 51 GLU HG2 1 52 GLY H 5.500 . 5.700 4.576 4.387 4.639 . 0 0 "[ . 1 . 2]" 1
1581 1 51 GLU H 1 51 GLU HG3 4.620 . 4.820 4.440 3.709 4.527 . 0 0 "[ . 1 . 2]" 1
1582 1 19 VAL MG1 1 51 GLU H 5.500 . 5.700 4.769 4.535 4.903 . 0 0 "[ . 1 . 2]" 1
1583 1 51 GLU H 1 51 GLU HG2 4.620 . 4.820 4.274 2.328 4.422 . 0 0 "[ . 1 . 2]" 1
1584 1 51 GLU HA 1 51 GLU QG 3.580 . 3.780 2.527 2.423 2.798 . 0 0 "[ . 1 . 2]" 1
1585 1 51 GLU H 1 54 MET H 5.430 . 5.630 4.937 4.848 4.989 . 0 0 "[ . 1 . 2]" 1
1586 1 51 GLU H 1 51 GLU HB3 3.610 . 3.810 2.529 2.431 3.564 . 0 0 "[ . 1 . 2]" 1
1587 1 51 GLU HA 1 68 LEU MD2 3.600 . 3.800 3.149 3.016 3.400 . 0 0 "[ . 1 . 2]" 1
1588 1 51 GLU HA 1 68 LEU MD1 4.170 . 4.370 4.344 4.193 4.406 0.036 15 0 "[ . 1 . 2]" 1
1589 1 51 GLU HA 1 54 MET HG2 4.650 . 4.850 2.391 2.268 2.471 . 0 0 "[ . 1 . 2]" 1
1590 1 51 GLU H 1 52 GLY H 3.600 . 3.800 2.709 2.628 2.782 . 0 0 "[ . 1 . 2]" 1
1591 1 51 GLU HA 1 54 MET HG3 5.000 . 5.200 2.799 2.712 2.870 . 0 0 "[ . 1 . 2]" 1
1592 1 51 GLU HB3 1 54 MET HG2 5.080 . 5.280 5.066 4.359 5.148 . 0 0 "[ . 1 . 2]" 1
1593 1 51 GLU HB3 1 54 MET HG3 5.500 . 5.700 5.610 4.330 5.729 0.029 11 0 "[ . 1 . 2]" 1
1594 1 51 GLU H 1 54 MET HG3 5.500 . 5.700 5.418 5.331 5.486 . 0 0 "[ . 1 . 2]" 1
1595 1 51 GLU HB2 1 68 LEU MD2 5.000 . 5.200 4.179 4.044 4.959 . 0 0 "[ . 1 . 2]" 1
1596 1 51 GLU HA 1 54 MET ME 4.280 . 4.480 3.954 3.733 4.097 . 0 0 "[ . 1 . 2]" 1
1597 1 52 GLY HA3 1 55 TYR HB3 4.260 . 4.460 3.894 3.768 4.079 . 0 0 "[ . 1 . 2]" 1
1598 1 52 GLY HA2 1 53 ASP HB2 5.500 . 5.700 5.754 5.712 5.798 0.098 6 0 "[ . 1 . 2]" 1
1599 1 52 GLY H 1 53 ASP HA 5.300 . 5.500 5.347 5.293 5.394 . 0 0 "[ . 1 . 2]" 1
1600 1 52 GLY HA3 1 54 MET H 5.280 . 5.480 4.965 4.883 5.010 . 0 0 "[ . 1 . 2]" 1
1601 1 52 GLY HA2 1 56 GLU QG 5.010 . 5.210 3.940 3.412 4.700 . 0 0 "[ . 1 . 2]" 1
1602 1 52 GLY HA2 1 55 TYR H 4.560 . 4.760 3.479 3.367 3.589 . 0 0 "[ . 1 . 2]" 1
1603 1 52 GLY H 1 53 ASP HB2 4.840 . 5.040 4.967 4.855 5.056 0.016 14 0 "[ . 1 . 2]" 1
1604 1 52 GLY H 1 53 ASP H 3.760 . 3.960 2.731 2.665 2.791 . 0 0 "[ . 1 . 2]" 1
1605 1 52 GLY HA2 1 55 TYR QD 5.500 . 5.700 3.658 3.036 3.926 . 0 0 "[ . 1 . 2]" 1
1606 1 52 GLY H 1 53 ASP HB3 5.500 . 5.700 4.927 4.718 5.094 . 0 0 "[ . 1 . 2]" 1
1607 1 52 GLY HA2 1 56 GLU H 4.470 . 4.670 3.863 3.697 4.127 . 0 0 "[ . 1 . 2]" 1
1608 1 52 GLY HA2 1 55 TYR HB3 4.360 . 4.560 2.321 2.156 2.481 . 0 0 "[ . 1 . 2]" 1
1609 1 52 GLY HA2 1 55 TYR HB2 4.130 . 4.330 3.032 2.748 3.363 . 0 0 "[ . 1 . 2]" 1
1610 1 53 ASP HA 1 57 SER H 4.420 . 4.620 4.359 4.169 4.477 . 0 0 "[ . 1 . 2]" 1
1611 1 53 ASP HA 1 54 MET ME 4.750 . 4.950 4.915 4.648 5.016 0.066 16 0 "[ . 1 . 2]" 1
1612 1 53 ASP HB2 1 54 MET ME 4.610 . 4.810 4.013 3.714 4.197 . 0 0 "[ . 1 . 2]" 1
1613 1 53 ASP HA 1 56 GLU HB2 5.000 . 5.200 3.493 2.953 5.188 . 0 0 "[ . 1 . 2]" 1
1614 1 53 ASP HB3 1 56 GLU H 5.500 . 5.700 5.525 5.392 5.648 . 0 0 "[ . 1 . 2]" 1
1615 1 53 ASP HB3 1 54 MET HG2 4.690 . 4.890 3.645 3.494 3.849 . 0 0 "[ . 1 . 2]" 1
1616 1 53 ASP HA 1 56 GLU QB 3.920 . 4.120 3.312 2.908 4.208 0.088 20 0 "[ . 1 . 2]" 1
1617 1 53 ASP HA 1 56 GLU HB3 5.000 . 5.200 4.786 4.353 5.201 0.001 11 0 "[ . 1 . 2]" 1
1618 1 53 ASP HB2 1 54 MET HA 5.470 . 5.670 5.550 5.495 5.621 . 0 0 "[ . 1 . 2]" 1
1619 1 53 ASP HB3 1 54 MET HB3 4.390 . 4.590 4.475 4.356 4.605 0.015 8 0 "[ . 1 . 2]" 1
1620 1 53 ASP H 1 53 ASP HB3 3.240 . 3.440 2.552 2.440 2.674 . 0 0 "[ . 1 . 2]" 1
1621 1 53 ASP HB3 1 54 MET H 3.580 . 3.780 2.201 2.137 2.322 . 0 0 "[ . 1 . 2]" 1
1622 1 53 ASP HA 1 54 MET HA 4.990 . 5.190 4.654 4.601 4.688 . 0 0 "[ . 1 . 2]" 1
1623 1 53 ASP HA 1 57 SER HB2 4.520 . 4.720 4.625 4.377 4.807 0.087 13 0 "[ . 1 . 2]" 1
1624 1 53 ASP HB2 1 54 MET H 3.520 . 3.720 3.606 3.524 3.687 . 0 0 "[ . 1 . 2]" 1
1625 1 53 ASP H 1 54 MET HA 5.500 . 5.700 5.390 5.326 5.449 . 0 0 "[ . 1 . 2]" 1
1626 1 53 ASP HB3 1 54 MET ME 3.130 . 3.330 2.495 2.195 2.679 . 0 0 "[ . 1 . 2]" 1
1627 1 53 ASP HA 1 56 GLU H 4.400 . 4.600 3.737 3.487 3.967 . 0 0 "[ . 1 . 2]" 1
1628 1 53 ASP HA 1 55 TYR H 5.160 . 5.360 4.439 4.326 4.530 . 0 0 "[ . 1 . 2]" 1
1629 1 53 ASP HA 1 56 GLU QG 4.310 . 4.510 3.850 2.234 4.344 . 0 0 "[ . 1 . 2]" 1
1630 1 53 ASP H 1 53 ASP HB2 3.210 . 3.410 2.398 2.334 2.452 . 0 0 "[ . 1 . 2]" 1
1631 1 53 ASP H 1 55 TYR H 4.410 . 4.610 3.983 3.870 4.070 . 0 0 "[ . 1 . 2]" 1
1632 1 53 ASP HA 1 56 GLU HG2 5.500 . 5.700 4.716 2.266 5.772 0.072 10 0 "[ . 1 . 2]" 1
1633 1 53 ASP HB3 1 57 SER H 5.500 . 5.700 5.733 5.704 5.756 0.056 12 0 "[ . 1 . 2]" 1
1634 1 53 ASP HA 1 56 GLU HG3 5.500 . 5.700 4.261 3.395 4.803 . 0 0 "[ . 1 . 2]" 1
1635 1 54 MET ME 1 68 LEU HB2 4.160 . 4.360 3.915 3.799 4.124 . 0 0 "[ . 1 . 2]" 1
1636 1 54 MET HA 1 67 LEU QD 3.700 . 3.900 2.931 2.711 3.185 . 0 0 "[ . 1 . 2]" 1
1637 1 54 MET H 1 67 LEU QD 4.850 . 5.050 4.452 4.372 4.543 . 0 0 "[ . 1 . 2]" 1
1638 1 54 MET HB2 1 68 LEU HB3 4.710 . 4.910 3.080 2.869 3.306 . 0 0 "[ . 1 . 2]" 1
1639 1 54 MET ME 1 71 LYS QG 3.950 . 4.150 3.057 2.645 3.703 . 0 0 "[ . 1 . 2]" 1
1640 1 54 MET ME 1 67 LEU QD 3.400 . 3.600 2.868 2.703 3.016 . 0 0 "[ . 1 . 2]" 1
1641 1 54 MET HG2 1 68 LEU MD1 5.000 . 5.200 5.210 5.173 5.236 0.036 12 0 "[ . 1 . 2]" 1
1642 1 54 MET HA 1 67 LEU MD2 4.610 . 4.810 3.849 3.723 3.995 . 0 0 "[ . 1 . 2]" 1
1643 1 54 MET HG2 1 67 LEU MD1 5.000 . 5.200 4.095 4.028 4.155 . 0 0 "[ . 1 . 2]" 1
1644 1 54 MET HG2 1 68 LEU HB3 4.590 . 4.790 3.997 3.836 4.196 . 0 0 "[ . 1 . 2]" 1
1645 1 54 MET H 1 55 TYR H 3.460 . 3.660 2.629 2.545 2.680 . 0 0 "[ . 1 . 2]" 1
1646 1 54 MET HA 1 57 SER HB3 2.920 . 3.120 2.373 2.042 3.218 0.098 13 0 "[ . 1 . 2]" 1
1647 1 54 MET HB2 1 68 LEU HA 5.500 . 5.700 4.748 4.435 5.085 . 0 0 "[ . 1 . 2]" 1
1648 1 54 MET ME 1 68 LEU HA 3.960 . 4.160 3.839 3.636 4.095 . 0 0 "[ . 1 . 2]" 1
1649 1 54 MET H 1 54 MET HG2 3.550 . 3.750 1.771 1.750 1.787 0.050 17 0 "[ . 1 . 2]" 1
1650 1 54 MET HG3 1 68 LEU MD1 4.040 . 4.240 4.172 4.106 4.243 0.003 13 0 "[ . 1 . 2]" 1
1651 1 54 MET HG2 1 67 LEU MD2 5.500 . 5.700 5.772 5.745 5.806 0.106 6 0 "[ . 1 . 2]" 1
1652 1 54 MET HA 1 57 SER HB2 3.120 . 3.320 2.681 1.860 3.181 . 0 0 "[ . 1 . 2]" 1
1653 1 54 MET HG3 1 67 LEU MD2 5.000 . 5.200 5.187 5.139 5.246 0.046 6 0 "[ . 1 . 2]" 1
1654 1 54 MET ME 1 68 LEU HB3 3.970 . 4.170 4.067 3.956 4.171 0.001 18 0 "[ . 1 . 2]" 1
1655 1 54 MET HB2 1 58 ALA H 4.890 . 5.090 4.838 4.330 5.135 0.045 17 0 "[ . 1 . 2]" 1
1656 1 54 MET HB3 1 68 LEU HA 4.540 . 4.740 4.392 4.110 4.751 0.011 8 0 "[ . 1 . 2]" 1
1657 1 54 MET HB2 1 68 LEU MD2 4.870 . 5.070 3.683 3.570 3.836 . 0 0 "[ . 1 . 2]" 1
1658 1 54 MET HG3 1 67 LEU MD1 5.000 . 5.200 3.489 3.277 3.604 . 0 0 "[ . 1 . 2]" 1
1659 1 54 MET HG3 1 68 LEU HG 4.700 . 4.900 4.581 4.379 4.810 . 0 0 "[ . 1 . 2]" 1
1660 1 54 MET H 1 55 TYR HB3 4.860 . 5.060 4.651 4.523 4.780 . 0 0 "[ . 1 . 2]" 1
1661 1 54 MET ME 1 71 LYS QE 4.000 . 4.200 3.260 2.434 4.294 0.094 16 0 "[ . 1 . 2]" 1
1662 1 54 MET HB3 1 68 LEU MD1 5.500 . 5.700 5.807 5.757 5.847 0.147 8 0 "[ . 1 . 2]" 1
1663 1 54 MET HG3 1 67 LEU QD 4.310 . 4.510 3.438 3.246 3.541 . 0 0 "[ . 1 . 2]" 1
1664 1 54 MET HG2 1 67 LEU QD 4.170 . 4.370 4.014 3.955 4.063 . 0 0 "[ . 1 . 2]" 1
1665 1 54 MET H 1 54 MET ME 3.790 . 3.990 2.511 2.336 2.603 . 0 0 "[ . 1 . 2]" 1
1666 1 54 MET HA 1 67 LEU MD1 4.000 . 4.200 3.040 2.785 3.347 . 0 0 "[ . 1 . 2]" 1
1667 1 51 GLU HA 1 54 MET H 4.500 . 4.700 3.683 3.533 3.776 . 0 0 "[ . 1 . 2]" 1
1668 1 54 MET HA 1 54 MET HG3 4.180 . 4.380 4.088 4.042 4.131 . 0 0 "[ . 1 . 2]" 1
1669 1 54 MET HB3 1 67 LEU QD 4.970 . 5.170 1.990 1.880 2.143 . 0 0 "[ . 1 . 2]" 1
1670 1 54 MET HA 1 56 GLU H 4.530 . 4.730 4.280 4.038 4.444 . 0 0 "[ . 1 . 2]" 1
1671 1 54 MET HB2 1 54 MET ME 3.910 . 4.110 3.364 3.307 3.408 . 0 0 "[ . 1 . 2]" 1
1672 1 54 MET HB2 1 68 LEU H 4.530 . 4.730 4.257 4.079 4.515 . 0 0 "[ . 1 . 2]" 1
1673 1 54 MET H 1 56 GLU H 4.680 . 4.880 4.245 4.114 4.315 . 0 0 "[ . 1 . 2]" 1
1674 1 54 MET HG2 1 55 TYR H 4.970 . 5.170 2.732 2.644 2.854 . 0 0 "[ . 1 . 2]" 1
1675 1 54 MET H 1 54 MET HB2 3.700 . 3.900 3.627 3.605 3.640 . 0 0 "[ . 1 . 2]" 1
1676 1 54 MET H 1 54 MET HG3 3.830 . 4.030 3.408 3.384 3.439 . 0 0 "[ . 1 . 2]" 1
1677 1 54 MET H 1 54 MET HB3 3.490 . 3.690 3.145 3.075 3.219 . 0 0 "[ . 1 . 2]" 1
1678 1 54 MET HG3 1 55 TYR H 4.730 . 4.930 3.435 3.277 3.562 . 0 0 "[ . 1 . 2]" 1
1679 1 54 MET HB2 1 55 TYR H 4.130 . 4.330 3.604 3.511 3.695 . 0 0 "[ . 1 . 2]" 1
1680 1 54 MET HA 1 54 MET ME 3.690 . 3.890 3.299 3.112 3.404 . 0 0 "[ . 1 . 2]" 1
1681 1 54 MET HG2 1 56 GLU H 4.910 . 5.110 5.141 5.084 5.180 0.070 3 0 "[ . 1 . 2]" 1
1682 1 54 MET HA 1 58 ALA H 4.010 . 4.210 3.934 3.530 4.229 0.019 11 0 "[ . 1 . 2]" 1
1683 1 54 MET HB3 1 55 TYR H 4.340 . 4.540 4.318 4.250 4.374 . 0 0 "[ . 1 . 2]" 1
1684 1 54 MET ME 1 54 MET HG3 3.370 . 3.570 3.438 3.412 3.453 . 0 0 "[ . 1 . 2]" 1
1685 1 54 MET HB3 1 54 MET ME 4.240 . 4.440 1.881 1.843 1.927 . 0 0 "[ . 1 . 2]" 1
1686 1 54 MET HB3 1 55 TYR HA 5.500 . 5.700 5.719 5.681 5.738 0.038 4 0 "[ . 1 . 2]" 1
1687 1 54 MET HG2 1 68 LEU MD2 5.290 . 5.490 3.706 3.541 3.919 . 0 0 "[ . 1 . 2]" 1
1688 1 54 MET HA 1 67 LEU HG 5.500 . 5.700 5.307 5.014 5.623 . 0 0 "[ . 1 . 2]" 1
1689 1 54 MET HB3 1 58 ALA MB 5.150 . 5.350 5.075 4.874 5.252 . 0 0 "[ . 1 . 2]" 1
1690 1 54 MET HB2 1 58 ALA MB 4.430 . 4.630 3.970 3.816 4.107 . 0 0 "[ . 1 . 2]" 1
1691 1 54 MET HB3 1 68 LEU HB3 5.040 . 5.240 3.633 3.489 3.808 . 0 0 "[ . 1 . 2]" 1
1692 1 54 MET HG2 1 55 TYR HB2 5.110 . 5.310 4.368 4.193 4.602 . 0 0 "[ . 1 . 2]" 1
1693 1 54 MET HA 1 54 MET HG2 3.950 . 4.150 3.497 3.465 3.516 . 0 0 "[ . 1 . 2]" 1
1694 1 54 MET H 1 57 SER H 5.160 . 5.360 4.574 4.474 4.691 . 0 0 "[ . 1 . 2]" 1
1695 1 54 MET HA 1 58 ALA MB 4.170 . 4.370 4.339 4.175 4.418 0.048 17 0 "[ . 1 . 2]" 1
1696 1 55 TYR HA 1 58 ALA MB 4.080 . 4.280 3.328 3.119 3.524 . 0 0 "[ . 1 . 2]" 1
1697 1 55 TYR H 1 55 TYR HB3 3.630 . 3.830 2.381 2.278 2.451 . 0 0 "[ . 1 . 2]" 1
1698 1 55 TYR H 1 55 TYR HB2 3.590 . 3.790 2.356 2.226 2.536 . 0 0 "[ . 1 . 2]" 1
1699 1 55 TYR HA 1 55 TYR QE 5.370 . 5.570 4.774 4.641 4.851 . 0 0 "[ . 1 . 2]" 1
1700 1 55 TYR HB3 1 56 GLU HG3 5.500 . 5.700 4.239 2.930 5.528 . 0 0 "[ . 1 . 2]" 1
1701 1 55 TYR HB2 1 56 GLU H 4.160 . 4.360 3.688 3.528 3.856 . 0 0 "[ . 1 . 2]" 1
1702 1 55 TYR HA 1 55 TYR QD 4.100 . 4.300 2.930 2.786 3.064 . 0 0 "[ . 1 . 2]" 1
1703 1 55 TYR HB2 1 55 TYR QE 4.880 . 5.080 4.378 4.349 4.431 . 0 0 "[ . 1 . 2]" 1
1704 1 55 TYR H 1 56 GLU QG 5.090 . 5.290 4.448 3.859 5.084 . 0 0 "[ . 1 . 2]" 1
1705 1 55 TYR H 1 55 TYR QD 4.350 . 4.550 4.074 3.994 4.121 . 0 0 "[ . 1 . 2]" 1
1706 1 55 TYR HA 1 64 TYR QD 4.000 . 4.200 2.538 2.386 2.710 . 0 0 "[ . 1 . 2]" 1
1707 1 55 TYR HA 1 64 TYR HB2 3.630 . 3.830 2.369 2.125 2.553 . 0 0 "[ . 1 . 2]" 1
1708 1 55 TYR H 1 67 LEU QD 4.910 . 5.110 4.781 4.663 4.889 . 0 0 "[ . 1 . 2]" 1
1709 1 55 TYR H 1 56 GLU H 3.630 . 3.830 2.660 2.565 2.798 . 0 0 "[ . 1 . 2]" 1
1710 1 55 TYR HB3 1 56 GLU QB 4.840 . 5.040 4.182 3.777 4.485 . 0 0 "[ . 1 . 2]" 1
1711 1 55 TYR QD 1 56 GLU H 3.980 . 4.180 3.273 3.068 3.542 . 0 0 "[ . 1 . 2]" 1
1712 1 55 TYR HB2 1 58 ALA MB 5.410 . 5.610 5.436 5.243 5.623 0.013 3 0 "[ . 1 . 2]" 1
1713 1 55 TYR HB3 1 64 TYR QE 4.390 . 4.590 4.474 4.226 4.605 0.015 13 0 "[ . 1 . 2]" 1
1714 1 55 TYR H 1 68 LEU MD2 4.900 . 5.100 4.757 4.654 4.938 . 0 0 "[ . 1 . 2]" 1
1715 1 55 TYR HA 1 61 ARG HA 5.340 . 5.540 4.887 4.769 5.002 . 0 0 "[ . 1 . 2]" 1
1716 1 55 TYR HA 1 64 TYR HA 4.550 . 4.750 4.571 4.307 4.764 0.014 8 0 "[ . 1 . 2]" 1
1717 1 55 TYR H 1 64 TYR QE 5.130 . 5.330 3.722 3.591 3.865 . 0 0 "[ . 1 . 2]" 1
1718 1 55 TYR HB3 1 56 GLU HG2 5.500 . 5.700 3.708 2.669 4.763 . 0 0 "[ . 1 . 2]" 1
1719 1 55 TYR H 1 58 ALA MB 5.060 . 5.260 4.958 4.838 5.102 . 0 0 "[ . 1 . 2]" 1
1720 1 55 TYR HA 1 64 TYR H 5.130 . 5.330 5.289 5.122 5.379 0.049 5 0 "[ . 1 . 2]" 1
1721 1 55 TYR HB3 1 56 GLU H 3.840 . 4.040 2.328 2.192 2.571 . 0 0 "[ . 1 . 2]" 1
1722 1 55 TYR H 1 57 SER H 4.500 . 4.700 3.768 3.651 3.863 . 0 0 "[ . 1 . 2]" 1
1723 1 56 GLU H 1 56 GLU QG 3.280 . 3.480 2.365 1.906 2.984 . 0 0 "[ . 1 . 2]" 1
1724 1 56 GLU QG 1 57 SER H 4.780 . 4.980 3.973 2.191 4.492 . 0 0 "[ . 1 . 2]" 1
1725 1 56 GLU QB 1 57 SER H 3.840 . 4.040 3.087 2.780 3.645 . 0 0 "[ . 1 . 2]" 1
1726 1 56 GLU HG2 1 57 SER H 5.500 . 5.700 4.471 2.798 5.244 . 0 0 "[ . 1 . 2]" 1
1727 1 56 GLU HA 1 56 GLU QG 3.430 . 3.630 2.651 2.329 3.261 . 0 0 "[ . 1 . 2]" 1
1728 1 56 GLU H 1 56 GLU QB 3.000 . 3.200 2.386 2.143 2.576 . 0 0 "[ . 1 . 2]" 1
1729 1 56 GLU HG3 1 57 SER H 5.500 . 5.700 4.585 2.287 5.430 . 0 0 "[ . 1 . 2]" 1
1730 1 56 GLU H 1 57 SER HB2 4.940 . 5.140 4.598 4.199 4.824 . 0 0 "[ . 1 . 2]" 1
1731 1 56 GLU H 1 56 GLU HG2 3.760 . 3.960 2.798 1.919 3.811 . 0 0 "[ . 1 . 2]" 1
1732 1 56 GLU HA 1 57 SER HB2 5.500 . 5.700 5.607 5.366 5.722 0.022 19 0 "[ . 1 . 2]" 1
1733 1 56 GLU H 1 58 ALA H 5.120 . 5.320 4.195 3.984 4.526 . 0 0 "[ . 1 . 2]" 1
1734 1 56 GLU H 1 56 GLU HG3 3.760 . 3.960 3.155 2.289 3.885 . 0 0 "[ . 1 . 2]" 1
1735 1 56 GLU H 1 56 GLU HB3 3.640 . 3.840 3.437 2.564 3.650 . 0 0 "[ . 1 . 2]" 1
1736 1 56 GLU H 1 56 GLU HB2 3.640 . 3.840 2.580 2.164 3.656 . 0 0 "[ . 1 . 2]" 1
1737 1 56 GLU H 1 58 ALA MB 5.180 . 5.380 5.153 4.933 5.365 . 0 0 "[ . 1 . 2]" 1
1738 1 57 SER HB3 1 58 ALA H 3.410 . 3.610 3.085 2.413 3.683 0.073 14 0 "[ . 1 . 2]" 1
1739 1 57 SER H 1 58 ALA H 2.920 . 3.120 2.490 2.382 2.611 . 0 0 "[ . 1 . 2]" 1
1740 1 57 SER HB2 1 67 LEU MD1 5.000 . 5.200 4.736 3.891 5.219 0.019 16 0 "[ . 1 . 2]" 1
1741 1 57 SER HB3 1 58 ALA HA 4.390 . 4.590 4.258 4.108 4.498 . 0 0 "[ . 1 . 2]" 1
1742 1 57 SER H 1 58 ALA MB 4.350 . 4.550 4.146 4.011 4.267 . 0 0 "[ . 1 . 2]" 1
1743 1 57 SER HB3 1 67 LEU QD 4.460 . 4.660 3.237 2.807 3.662 . 0 0 "[ . 1 . 2]" 1
1744 1 57 SER H 1 67 LEU MD2 5.500 . 5.700 5.141 4.751 5.393 . 0 0 "[ . 1 . 2]" 1
1745 1 57 SER H 1 57 SER HB2 3.070 . 3.270 2.462 2.030 2.683 . 0 0 "[ . 1 . 2]" 1
1746 1 57 SER H 1 67 LEU MD1 5.500 . 5.700 5.288 4.889 5.510 . 0 0 "[ . 1 . 2]" 1
1747 1 57 SER HB2 1 67 LEU MD2 5.000 . 5.200 4.715 3.817 5.201 0.001 16 0 "[ . 1 . 2]" 1
1748 1 57 SER HA 1 57 SER HB2 2.720 . 2.920 2.590 2.420 2.918 . 0 0 "[ . 1 . 2]" 1
1749 1 54 MET HA 1 57 SER H 4.500 . 4.700 3.015 2.804 3.202 . 0 0 "[ . 1 . 2]" 1
1750 1 58 ALA MB 1 60 SER QB 5.420 . 5.620 4.545 4.020 4.702 . 0 0 "[ . 1 . 2]" 1
1751 1 58 ALA H 1 60 SER H 5.360 . 5.560 5.032 4.910 5.185 . 0 0 "[ . 1 . 2]" 1
1752 1 58 ALA MB 1 61 ARG HA 4.870 . 5.070 3.886 3.700 4.213 . 0 0 "[ . 1 . 2]" 1
1753 1 58 ALA MB 1 67 LEU MD1 3.660 . 3.860 3.729 3.357 3.886 0.026 19 0 "[ . 1 . 2]" 1
1754 1 58 ALA HA 1 67 LEU MD2 5.000 . 5.200 3.340 3.173 3.472 . 0 0 "[ . 1 . 2]" 1
1755 1 58 ALA MB 1 60 SER H 3.160 . 3.360 2.265 2.167 2.340 . 0 0 "[ . 1 . 2]" 1
1756 1 58 ALA MB 1 64 TYR QD 3.910 . 4.110 3.645 3.595 3.709 . 0 0 "[ . 1 . 2]" 1
1757 1 58 ALA MB 1 59 ASN H 3.380 . 3.580 2.311 2.169 2.443 . 0 0 "[ . 1 . 2]" 1
1758 1 58 ALA MB 1 60 SER HA 4.930 . 5.130 4.470 4.202 4.579 . 0 0 "[ . 1 . 2]" 1
1759 1 58 ALA H 1 63 GLU QB 5.500 . 5.700 5.668 5.420 5.736 0.036 17 0 "[ . 1 . 2]" 1
1760 1 58 ALA MB 1 67 LEU MD2 3.660 . 3.860 2.389 2.213 2.606 . 0 0 "[ . 1 . 2]" 1
1761 1 58 ALA MB 1 67 LEU QD 3.160 . 3.360 2.361 2.195 2.568 . 0 0 "[ . 1 . 2]" 1
1762 1 58 ALA HA 1 60 SER H 4.500 . 4.700 3.893 3.741 3.989 . 0 0 "[ . 1 . 2]" 1
1763 1 58 ALA MB 1 63 GLU HG2 3.600 . 3.800 2.050 1.897 2.450 . 0 0 "[ . 1 . 2]" 1
1764 1 58 ALA MB 1 59 ASN QB 4.690 . 4.890 4.326 4.223 4.514 . 0 0 "[ . 1 . 2]" 1
1765 1 58 ALA H 1 67 LEU QD 3.860 . 4.060 3.818 3.534 4.044 . 0 0 "[ . 1 . 2]" 1
1766 1 58 ALA HA 1 67 LEU QD 3.880 . 4.080 3.303 3.145 3.426 . 0 0 "[ . 1 . 2]" 1
1767 1 58 ALA H 1 67 LEU MD2 5.500 . 5.700 3.981 3.669 4.229 . 0 0 "[ . 1 . 2]" 1
1768 1 58 ALA MB 1 63 GLU QB 3.250 . 3.450 2.260 1.992 2.360 . 0 0 "[ . 1 . 2]" 1
1769 1 58 ALA MB 1 65 TYR H 4.350 . 4.550 4.390 4.334 4.456 . 0 0 "[ . 1 . 2]" 1
1770 1 58 ALA HA 1 63 GLU QB 4.000 . 4.200 3.957 3.740 4.134 . 0 0 "[ . 1 . 2]" 1
1771 1 58 ALA HA 1 67 LEU MD1 5.000 . 5.200 5.224 5.111 5.266 0.066 15 0 "[ . 1 . 2]" 1
1772 1 58 ALA HA 1 59 ASN QB 4.870 . 5.070 4.285 3.876 4.542 . 0 0 "[ . 1 . 2]" 1
1773 1 58 ALA HA 1 59 ASN HA 4.930 . 5.130 4.412 4.341 4.515 . 0 0 "[ . 1 . 2]" 1
1774 1 58 ALA HA 1 59 ASN H 2.950 . 3.150 2.336 2.242 2.409 . 0 0 "[ . 1 . 2]" 1
1775 1 58 ALA H 1 67 LEU MD1 5.500 . 5.700 4.914 4.619 5.146 . 0 0 "[ . 1 . 2]" 1
1776 1 58 ALA MB 1 64 TYR HB2 3.570 . 3.770 2.090 2.015 2.201 . 0 0 "[ . 1 . 2]" 1
1777 1 58 ALA MB 1 66 HIS QB 5.340 . 5.540 5.496 5.226 5.661 0.121 9 0 "[ . 1 . 2]" 1
1778 1 58 ALA MB 1 67 LEU HG 3.960 . 4.160 3.740 3.531 3.936 . 0 0 "[ . 1 . 2]" 1
1779 1 58 ALA H 1 58 ALA MB 2.700 . 2.900 2.247 2.178 2.318 . 0 0 "[ . 1 . 2]" 1
1780 1 58 ALA H 1 59 ASN H 4.630 . 4.830 4.530 4.444 4.616 . 0 0 "[ . 1 . 2]" 1
1781 1 58 ALA HA 1 63 GLU HG2 4.210 . 4.410 2.830 2.644 2.950 . 0 0 "[ . 1 . 2]" 1
1782 1 58 ALA MB 1 63 GLU HG3 3.970 . 4.170 3.454 2.541 3.677 . 0 0 "[ . 1 . 2]" 1
1783 1 58 ALA MB 1 66 HIS H 5.500 . 5.700 5.401 5.288 5.549 . 0 0 "[ . 1 . 2]" 1
1784 1 58 ALA H 1 64 TYR HB2 4.550 . 4.750 3.485 3.288 3.628 . 0 0 "[ . 1 . 2]" 1
1785 1 58 ALA HA 1 63 GLU HG3 4.140 . 4.340 4.305 3.587 4.408 0.068 16 0 "[ . 1 . 2]" 1
1786 1 58 ALA H 1 63 GLU HG2 5.390 . 5.590 4.895 4.711 5.171 . 0 0 "[ . 1 . 2]" 1
1787 1 58 ALA MB 1 64 TYR HB3 3.670 . 3.870 2.207 2.144 2.264 . 0 0 "[ . 1 . 2]" 1
1788 1 58 ALA MB 1 64 TYR H 3.420 . 3.620 2.520 2.455 2.581 . 0 0 "[ . 1 . 2]" 1
1789 1 58 ALA MB 1 64 TYR HA . . 3.440 2.263 2.190 2.380 . 0 0 "[ . 1 . 2]" 1
1790 1 58 ALA HA 1 64 TYR HA 4.870 . 5.070 4.616 4.452 4.814 . 0 0 "[ . 1 . 2]" 1
1791 1 58 ALA H 1 64 TYR HB3 4.380 . 4.580 4.468 4.346 4.593 0.013 15 0 "[ . 1 . 2]" 1
1792 1 58 ALA MB 1 63 GLU H 4.040 . 4.240 3.959 3.853 4.085 . 0 0 "[ . 1 . 2]" 1
1793 1 59 ASN QD 1 60 SER H 5.340 . 5.540 4.144 2.828 5.430 . 0 0 "[ . 1 . 2]" 1
1794 1 59 ASN HB3 1 60 SER H 4.700 . 4.900 4.295 4.132 4.482 . 0 0 "[ . 1 . 2]" 1
1795 1 59 ASN H 1 59 ASN HB3 4.040 . 4.240 3.324 2.578 3.765 . 0 0 "[ . 1 . 2]" 1
1796 1 59 ASN H 1 59 ASN HD22 4.350 . 4.550 3.849 3.418 4.633 0.083 18 0 "[ . 1 . 2]" 1
1797 1 59 ASN H 1 59 ASN QB 3.360 . 3.560 2.586 2.441 3.041 . 0 0 "[ . 1 . 2]" 1
1798 1 59 ASN H 1 60 SER H 3.100 . 3.300 2.227 2.081 2.345 . 0 0 "[ . 1 . 2]" 1
1799 1 59 ASN H 1 64 TYR H 5.000 . 5.200 4.755 4.572 4.869 . 0 0 "[ . 1 . 2]" 1
1800 1 59 ASN H 1 67 LEU QD 4.480 . 4.680 4.589 4.447 4.729 0.049 6 0 "[ . 1 . 2]" 1
1801 1 59 ASN HB2 1 60 SER H 4.700 . 4.900 3.999 3.449 4.548 . 0 0 "[ . 1 . 2]" 1
1802 1 59 ASN H 1 63 GLU HG2 4.780 . 4.980 3.094 2.727 3.251 . 0 0 "[ . 1 . 2]" 1
1803 1 59 ASN QB 1 63 GLU HG2 4.980 . 5.180 5.119 4.783 5.303 0.123 12 0 "[ . 1 . 2]" 1
1804 1 59 ASN H 1 59 ASN HB2 4.040 . 4.240 3.053 2.479 3.798 . 0 0 "[ . 1 . 2]" 1
1805 1 59 ASN HA 1 63 GLU QB 5.230 . 5.430 5.079 4.910 5.195 . 0 0 "[ . 1 . 2]" 1
1806 1 59 ASN H 1 63 GLU H 5.110 . 5.310 5.118 4.820 5.348 0.038 5 0 "[ . 1 . 2]" 1
1807 1 59 ASN H 1 59 ASN HD21 4.350 . 4.550 2.639 2.227 4.382 . 0 0 "[ . 1 . 2]" 1
1808 1 59 ASN H 1 64 TYR HA 5.500 . 5.700 5.594 5.495 5.704 0.004 7 0 "[ . 1 . 2]" 1
1809 1 59 ASN HA 1 59 ASN HD22 5.270 . 5.470 4.677 3.807 5.198 . 0 0 "[ . 1 . 2]" 1
1810 1 59 ASN H 1 59 ASN QD 3.720 . 3.920 2.578 2.207 3.996 0.076 7 0 "[ . 1 . 2]" 1
1811 1 59 ASN H 1 63 GLU QB 3.760 . 3.960 2.875 2.713 3.025 . 0 0 "[ . 1 . 2]" 1
1812 1 59 ASN H 1 63 GLU HG3 4.580 . 4.780 4.363 4.087 4.477 . 0 0 "[ . 1 . 2]" 1
1813 1 59 ASN H 1 63 GLU HA 5.500 . 5.700 5.713 5.606 5.787 0.087 18 0 "[ . 1 . 2]" 1
1814 1 60 SER QB 1 61 ARG HB2 5.500 . 5.700 5.593 5.475 5.658 . 0 0 "[ . 1 . 2]" 1
1815 1 60 SER QB 1 62 ASP H 4.210 . 4.410 2.529 2.224 2.811 . 0 0 "[ . 1 . 2]" 1
1816 1 60 SER H 1 60 SER QB 3.600 . 3.800 3.239 2.894 3.331 . 0 0 "[ . 1 . 2]" 1
1817 1 60 SER HA 1 61 ARG HG2 5.500 . 5.700 5.732 5.432 5.792 0.092 8 0 "[ . 1 . 2]" 1
1818 1 60 SER H 1 63 GLU HG3 5.400 . 5.600 5.183 4.834 5.485 . 0 0 "[ . 1 . 2]" 1
1819 1 60 SER H 1 61 ARG H 4.300 . 4.500 4.187 4.120 4.254 . 0 0 "[ . 1 . 2]" 1
1820 1 60 SER QB 1 61 ARG HG3 5.500 . 5.700 5.667 5.317 5.756 0.056 13 0 "[ . 1 . 2]" 1
1821 1 60 SER QB 1 62 ASP QB 4.920 . 5.120 3.126 2.714 4.312 . 0 0 "[ . 1 . 2]" 1
1822 1 60 SER HA 1 62 ASP H 4.130 . 4.330 4.028 3.826 4.316 . 0 0 "[ . 1 . 2]" 1
1823 1 60 SER QB 1 61 ARG HG2 5.500 . 5.700 4.776 4.312 4.914 . 0 0 "[ . 1 . 2]" 1
1824 1 60 SER HA 1 61 ARG QD 4.940 . 5.140 3.533 3.258 3.704 . 0 0 "[ . 1 . 2]" 1
1825 1 60 SER QB 1 61 ARG H 3.220 . 3.420 2.537 2.392 2.828 . 0 0 "[ . 1 . 2]" 1
1826 1 60 SER H 1 63 GLU HG2 4.270 . 4.470 3.903 3.576 4.175 . 0 0 "[ . 1 . 2]" 1
1827 1 60 SER HA 1 61 ARG H 3.210 . 3.410 2.256 2.161 2.292 . 0 0 "[ . 1 . 2]" 1
1828 1 60 SER H 1 63 GLU H 4.050 . 4.250 3.890 3.766 4.071 . 0 0 "[ . 1 . 2]" 1
1829 1 60 SER HA 1 63 GLU H 5.160 . 5.360 4.524 4.403 4.652 . 0 0 "[ . 1 . 2]" 1
1830 1 60 SER H 1 63 GLU QB 3.130 . 3.330 2.518 2.282 2.750 . 0 0 "[ . 1 . 2]" 1
1831 1 60 SER QB 1 63 GLU H 5.000 . 5.200 2.975 2.021 3.403 . 0 0 "[ . 1 . 2]" 1
1832 1 60 SER H 1 62 ASP H 5.090 . 5.290 4.957 4.739 5.254 . 0 0 "[ . 1 . 2]" 1
1833 1 60 SER H 1 64 TYR H 3.980 . 4.180 3.647 3.519 3.741 . 0 0 "[ . 1 . 2]" 1
1834 1 61 ARG HA 1 64 TYR H 4.040 . 4.240 3.104 2.976 3.429 . 0 0 "[ . 1 . 2]" 1
1835 1 61 ARG H 1 61 ARG HB3 3.460 . 3.660 2.797 2.632 3.138 . 0 0 "[ . 1 . 2]" 1
1836 1 61 ARG HG2 1 62 ASP QB 5.100 . 5.300 3.726 3.520 3.859 . 0 0 "[ . 1 . 2]" 1
1837 1 61 ARG HG2 1 65 TYR HD2 5.500 . 5.700 4.869 4.574 5.362 . 0 0 "[ . 1 . 2]" 1
1838 1 61 ARG HB2 1 61 ARG HD3 3.990 . 4.190 3.675 3.564 3.756 . 0 0 "[ . 1 . 2]" 1
1839 1 61 ARG HG2 2 37 LEU MD1 5.450 . 5.650 2.179 1.943 2.656 . 0 0 "[ . 1 . 2]" 1
1840 1 61 ARG QB 2 37 LEU QD 3.440 . 3.640 3.124 2.707 3.580 . 0 0 "[ . 1 . 2]" 1
1841 1 61 ARG HG3 2 37 LEU MD1 5.450 . 5.650 2.758 2.238 3.420 . 0 0 "[ . 1 . 2]" 1
1842 1 61 ARG HG2 2 37 LEU MD2 5.450 . 5.650 3.493 2.715 4.641 . 0 0 "[ . 1 . 2]" 1
1843 1 61 ARG QG 2 37 LEU QD 3.470 . 3.670 2.043 1.827 2.409 . 0 0 "[ . 1 . 2]" 1
1844 1 61 ARG H 1 61 ARG QD 3.670 . 3.870 1.810 1.686 1.966 0.114 17 0 "[ . 1 . 2]" 1
1845 1 61 ARG HB2 1 62 ASP H 4.030 . 4.230 3.955 3.631 4.114 . 0 0 "[ . 1 . 2]" 1
1846 1 61 ARG HG3 1 62 ASP H 4.740 . 4.940 4.297 3.923 4.457 . 0 0 "[ . 1 . 2]" 1
1847 1 61 ARG H 1 61 ARG HG2 4.130 . 4.330 3.526 3.427 3.623 . 0 0 "[ . 1 . 2]" 1
1848 1 61 ARG HG3 1 64 TYR QE 5.190 . 5.390 4.855 4.525 5.251 . 0 0 "[ . 1 . 2]" 1
1849 1 61 ARG H 1 64 TYR H 5.170 . 5.370 4.681 4.585 4.806 . 0 0 "[ . 1 . 2]" 1
1850 1 61 ARG HG2 1 64 TYR QE 5.250 . 5.450 4.939 4.587 5.358 . 0 0 "[ . 1 . 2]" 1
1851 1 61 ARG HA 1 65 TYR H 4.260 . 4.460 3.627 3.525 3.757 . 0 0 "[ . 1 . 2]" 1
1852 1 61 ARG HB2 1 61 ARG HD2 3.990 . 4.190 3.519 3.466 3.589 . 0 0 "[ . 1 . 2]" 1
1853 1 61 ARG HA 1 64 TYR HB3 4.230 . 4.430 2.560 2.417 2.907 . 0 0 "[ . 1 . 2]" 1
1854 1 61 ARG H 1 61 ARG HB2 3.610 . 3.810 3.725 3.685 3.798 . 0 0 "[ . 1 . 2]" 1
1855 1 61 ARG HG3 2 37 LEU MD2 5.450 . 5.650 3.878 3.099 4.446 . 0 0 "[ . 1 . 2]" 1
1856 1 61 ARG HB3 1 62 ASP H 4.740 . 4.940 4.134 3.982 4.315 . 0 0 "[ . 1 . 2]" 1
1857 1 61 ARG H 1 61 ARG HG3 4.360 . 4.560 3.950 3.891 4.007 . 0 0 "[ . 1 . 2]" 1
1858 1 61 ARG HB2 1 62 ASP QB 5.150 . 5.350 5.328 5.030 5.431 0.081 20 0 "[ . 1 . 2]" 1
1859 1 61 ARG QD 1 62 ASP H 3.820 . 4.020 2.128 1.807 2.469 . 0 0 "[ . 1 . 2]" 1
1860 1 61 ARG HA 1 61 ARG QD 4.560 . 4.760 3.479 3.376 3.587 . 0 0 "[ . 1 . 2]" 1
1861 1 61 ARG HA 1 64 TYR QD 4.410 . 4.610 1.805 1.764 1.859 0.036 11 0 "[ . 1 . 2]" 1
1862 1 61 ARG QD 1 64 TYR QD 5.340 . 5.540 4.698 4.666 4.722 . 0 0 "[ . 1 . 2]" 1
1863 1 61 ARG HG3 1 62 ASP QB 5.120 . 5.320 5.229 5.042 5.367 0.047 11 0 "[ . 1 . 2]" 1
1864 1 61 ARG HD3 1 64 TYR QD 5.000 . 5.200 5.211 5.122 5.263 0.063 6 0 "[ . 1 . 2]" 1
1865 1 61 ARG HG2 1 62 ASP H 4.200 . 4.400 2.849 2.333 3.051 . 0 0 "[ . 1 . 2]" 1
1866 1 61 ARG HB2 1 61 ARG HG2 2.600 . 2.800 2.398 2.273 2.481 . 0 0 "[ . 1 . 2]" 1
1867 1 61 ARG HA 1 64 TYR HB2 5.000 . 5.200 4.213 4.084 4.508 . 0 0 "[ . 1 . 2]" 1
1868 1 61 ARG HA 1 63 GLU H 4.650 . 4.850 4.277 4.033 4.418 . 0 0 "[ . 1 . 2]" 1
1869 1 61 ARG QD 1 63 GLU H 5.340 . 5.540 4.484 4.221 4.693 . 0 0 "[ . 1 . 2]" 1
1870 1 61 ARG HD2 1 64 TYR QD 5.000 . 5.200 5.343 5.297 5.410 0.210 11 0 "[ . 1 . 2]" 1
1871 1 61 ARG H 1 62 ASP H 3.390 . 3.590 2.558 2.411 2.903 . 0 0 "[ . 1 . 2]" 1
1872 1 61 ARG H 1 62 ASP QB 4.750 . 4.950 4.354 4.060 4.975 0.025 19 0 "[ . 1 . 2]" 1
1873 1 61 ARG H 1 62 ASP HA 5.500 . 5.700 5.176 5.053 5.479 . 0 0 "[ . 1 . 2]" 1
1874 1 61 ARG H 1 63 GLU H 4.630 . 4.830 4.212 3.940 4.441 . 0 0 "[ . 1 . 2]" 1
1875 1 61 ARG HA 1 62 ASP HA 5.500 . 5.700 4.809 4.695 4.926 . 0 0 "[ . 1 . 2]" 1
1876 1 61 ARG QD 1 62 ASP HA 5.340 . 5.540 4.258 3.876 4.821 . 0 0 "[ . 1 . 2]" 1
1877 1 62 ASP H 1 65 TYR QB 4.850 . 5.050 4.568 4.384 4.691 . 0 0 "[ . 1 . 2]" 1
1878 1 62 ASP HA 1 65 TYR QB . . 4.240 2.706 2.387 2.950 . 0 0 "[ . 1 . 2]" 1
1879 1 62 ASP HA 1 65 TYR HD2 4.050 . 4.250 2.952 2.460 3.207 . 0 0 "[ . 1 . 2]" 1
1880 1 62 ASP HA 1 65 TYR H 3.850 . 4.050 3.756 3.431 3.968 . 0 0 "[ . 1 . 2]" 1
1881 1 62 ASP QB 1 65 TYR HD2 5.230 . 5.430 4.587 3.890 5.045 . 0 0 "[ . 1 . 2]" 1
1882 1 62 ASP HA 1 64 TYR QD 5.090 . 5.290 4.937 4.650 5.154 . 0 0 "[ . 1 . 2]" 1
1883 1 62 ASP QB 1 63 GLU QB 5.500 . 5.700 4.004 3.673 4.731 . 0 0 "[ . 1 . 2]" 1
1884 1 62 ASP H 1 63 GLU H 3.350 . 3.550 2.632 2.524 2.770 . 0 0 "[ . 1 . 2]" 1
1885 1 62 ASP QB 1 66 HIS H 5.500 . 5.700 5.076 4.590 5.322 . 0 0 "[ . 1 . 2]" 1
1886 1 62 ASP QB 1 65 TYR H 5.160 . 5.360 5.157 4.947 5.273 . 0 0 "[ . 1 . 2]" 1
1887 1 62 ASP QB 1 63 GLU H 3.300 . 3.500 2.578 2.222 3.478 . 0 0 "[ . 1 . 2]" 1
1888 1 62 ASP H 1 62 ASP QB 2.790 . 2.990 2.274 2.148 2.647 . 0 0 "[ . 1 . 2]" 1
1889 1 62 ASP HA 1 65 TYR HE2 5.000 . 5.200 5.066 4.578 5.267 0.067 1 0 "[ . 1 . 2]" 1
1890 1 62 ASP QB 1 64 TYR H 5.160 . 5.360 4.790 4.559 5.231 . 0 0 "[ . 1 . 2]" 1
1891 1 62 ASP QB 1 65 TYR QB 4.830 . 5.030 4.526 4.064 4.805 . 0 0 "[ . 1 . 2]" 1
1892 1 62 ASP H 1 63 GLU QB 5.130 . 5.330 4.317 4.178 4.489 . 0 0 "[ . 1 . 2]" 1
1893 1 62 ASP HA 1 64 TYR H 5.500 . 5.700 4.562 4.417 4.687 . 0 0 "[ . 1 . 2]" 1
1894 1 62 ASP H 1 64 TYR H 4.410 . 4.610 4.033 3.863 4.210 . 0 0 "[ . 1 . 2]" 1
1895 1 63 GLU HG3 1 67 LEU MD1 5.000 . 5.200 5.121 4.158 5.264 0.064 11 0 "[ . 1 . 2]" 1
1896 1 63 GLU H 1 63 GLU QB 2.980 . 3.180 2.202 2.140 2.252 . 0 0 "[ . 1 . 2]" 1
1897 1 63 GLU HG2 1 67 LEU MD1 5.000 . 5.200 4.813 4.654 5.255 0.055 6 0 "[ . 1 . 2]" 1
1898 1 63 GLU HA 1 63 GLU HG3 3.140 . 3.340 2.689 2.587 2.942 . 0 0 "[ . 1 . 2]" 1
1899 1 63 GLU HG2 1 64 TYR H 4.970 . 5.170 3.440 3.335 4.279 . 0 0 "[ . 1 . 2]" 1
1900 1 63 GLU HG2 1 67 LEU HB3 5.110 . 5.310 4.587 4.222 5.343 0.033 6 0 "[ . 1 . 2]" 1
1901 1 63 GLU HG3 1 66 HIS QB 5.340 . 5.540 4.166 3.765 4.591 . 0 0 "[ . 1 . 2]" 1
1902 1 63 GLU QB 1 66 HIS H 5.500 . 5.700 4.992 4.911 5.093 . 0 0 "[ . 1 . 2]" 1
1903 1 63 GLU H 1 65 TYR H 4.430 . 4.630 4.276 4.128 4.385 . 0 0 "[ . 1 . 2]" 1
1904 1 63 GLU H 1 65 TYR QB 5.030 . 5.230 4.886 4.674 5.065 . 0 0 "[ . 1 . 2]" 1
1905 1 63 GLU HA 1 66 HIS H . . 4.700 3.510 3.356 3.656 . 0 0 "[ . 1 . 2]" 1
1906 1 63 GLU QB 1 65 TYR H 4.780 . 4.980 4.860 4.626 4.976 . 0 0 "[ . 1 . 2]" 1
1907 1 63 GLU HA 1 66 HIS QB 3.590 . 3.790 2.588 2.409 2.917 . 0 0 "[ . 1 . 2]" 1
1908 1 63 GLU H 1 64 TYR HB3 4.970 . 5.170 4.581 4.436 4.692 . 0 0 "[ . 1 . 2]" 1
1909 1 63 GLU HG3 1 67 LEU QD 3.820 . 4.020 2.438 2.096 2.621 . 0 0 "[ . 1 . 2]" 1
1910 1 63 GLU H 1 64 TYR H 3.590 . 3.790 2.728 2.584 2.829 . 0 0 "[ . 1 . 2]" 1
1911 1 63 GLU HG3 1 64 TYR H 4.900 . 5.100 4.309 3.521 4.405 . 0 0 "[ . 1 . 2]" 1
1912 1 63 GLU HG2 1 67 LEU QD 3.130 . 3.330 2.371 2.143 3.040 . 0 0 "[ . 1 . 2]" 1
1913 1 63 GLU HG3 1 67 LEU H 4.920 . 5.120 4.311 4.018 4.455 . 0 0 "[ . 1 . 2]" 1
1914 1 63 GLU H 1 63 GLU HG2 4.750 . 4.950 4.317 4.264 4.625 . 0 0 "[ . 1 . 2]" 1
1915 1 63 GLU H 1 66 HIS QB 5.340 . 5.540 4.622 4.384 5.015 . 0 0 "[ . 1 . 2]" 1
1916 1 63 GLU QB 1 64 TYR H 3.610 . 3.810 2.608 2.370 2.716 . 0 0 "[ . 1 . 2]" 1
1917 1 63 GLU HG3 1 67 LEU HB3 4.770 . 4.970 3.813 3.398 4.117 . 0 0 "[ . 1 . 2]" 1
1918 1 63 GLU HG3 1 64 TYR HA 4.120 . 4.320 4.314 3.301 4.390 0.070 2 0 "[ . 1 . 2]" 1
1919 1 63 GLU QB 1 64 TYR HB3 4.870 . 5.070 4.084 3.819 4.234 . 0 0 "[ . 1 . 2]" 1
1920 1 63 GLU QB 1 64 TYR HA 4.370 . 4.570 4.217 4.036 4.294 . 0 0 "[ . 1 . 2]" 1
1921 1 63 GLU H 1 66 HIS H 4.560 . 4.760 4.586 4.469 4.667 . 0 0 "[ . 1 . 2]" 1
1922 1 63 GLU H 1 63 GLU HG3 4.560 . 4.760 4.506 4.364 4.567 . 0 0 "[ . 1 . 2]" 1
1923 1 63 GLU QB 1 64 TYR HB2 5.370 . 5.570 4.961 4.604 5.112 . 0 0 "[ . 1 . 2]" 1
1924 1 64 TYR QE 1 65 TYR QB 4.500 . 4.700 3.393 3.241 3.536 . 0 0 "[ . 1 . 2]" 1
1925 1 64 TYR HA 1 68 LEU H 3.950 . 4.150 3.994 3.951 4.048 . 0 0 "[ . 1 . 2]" 1
1926 1 64 TYR HB3 1 68 LEU MD2 4.970 . 5.170 4.751 4.571 4.804 . 0 0 "[ . 1 . 2]" 1
1927 1 64 TYR H 1 64 TYR QD 3.750 . 3.950 3.253 3.192 3.312 . 0 0 "[ . 1 . 2]" 1
1928 1 64 TYR HB3 1 67 LEU QD 4.490 . 4.690 4.318 4.229 4.383 . 0 0 "[ . 1 . 2]" 1
1929 1 64 TYR QE 1 68 LEU MD2 4.870 . 5.070 2.442 2.399 2.549 . 0 0 "[ . 1 . 2]" 1
1930 1 64 TYR HA 1 68 LEU HB3 4.470 . 4.670 4.428 4.332 4.545 . 0 0 "[ . 1 . 2]" 1
1931 1 64 TYR H 1 66 HIS QB 5.140 . 5.340 4.834 4.557 5.113 . 0 0 "[ . 1 . 2]" 1
1932 1 64 TYR HA 1 67 LEU MD2 3.790 . 3.990 2.516 2.426 2.747 . 0 0 "[ . 1 . 2]" 1
1933 1 64 TYR H 1 64 TYR HB2 3.600 . 3.800 3.293 3.224 3.405 . 0 0 "[ . 1 . 2]" 1
1934 1 64 TYR HA 1 67 LEU HB2 5.000 . 5.200 5.161 5.059 5.229 0.029 12 0 "[ . 1 . 2]" 1
1935 1 64 TYR HA 1 67 LEU HG 3.020 . 3.220 2.280 2.161 2.352 . 0 0 "[ . 1 . 2]" 1
1936 1 64 TYR QD 1 66 HIS H 5.130 . 5.330 5.110 5.052 5.160 . 0 0 "[ . 1 . 2]" 1
1937 1 64 TYR HA 1 67 LEU MD1 3.790 . 3.990 3.121 2.533 3.279 . 0 0 "[ . 1 . 2]" 1
1938 1 64 TYR H 1 66 HIS H 4.630 . 4.830 4.016 3.884 4.096 . 0 0 "[ . 1 . 2]" 1
1939 1 64 TYR H 1 65 TYR QB 5.020 . 5.220 4.281 4.158 4.434 . 0 0 "[ . 1 . 2]" 1
1940 1 64 TYR H 1 67 LEU HG 4.990 . 5.190 4.616 4.301 4.708 . 0 0 "[ . 1 . 2]" 1
1941 1 64 TYR QD 1 68 LEU MD2 4.000 . 4.200 2.769 2.637 2.899 . 0 0 "[ . 1 . 2]" 1
1942 1 64 TYR HA 1 67 LEU QD 2.760 . 2.960 2.406 2.337 2.522 . 0 0 "[ . 1 . 2]" 1
1943 1 64 TYR H 1 64 TYR QE 5.160 . 5.360 5.421 5.377 5.460 0.100 10 0 "[ . 1 . 2]" 1
1944 1 64 TYR QD 1 65 TYR HA 5.030 . 5.230 4.034 3.969 4.111 . 0 0 "[ . 1 . 2]" 1
1945 1 64 TYR H 1 65 TYR H 3.680 . 3.880 2.654 2.588 2.709 . 0 0 "[ . 1 . 2]" 1
1946 1 64 TYR QD 1 65 TYR QB 4.210 . 4.410 3.384 3.281 3.465 . 0 0 "[ . 1 . 2]" 1
1947 1 64 TYR HB2 1 67 LEU HG 4.240 . 4.440 4.346 4.227 4.437 . 0 0 "[ . 1 . 2]" 1
1948 1 64 TYR HB2 1 65 TYR H 4.210 . 4.410 4.116 4.062 4.151 . 0 0 "[ . 1 . 2]" 1
1949 1 64 TYR H 1 67 LEU QD 4.400 . 4.600 4.073 3.977 4.261 . 0 0 "[ . 1 . 2]" 1
1950 1 64 TYR HB3 1 65 TYR H 3.700 . 3.900 3.235 3.187 3.325 . 0 0 "[ . 1 . 2]" 1
1951 1 64 TYR H 1 64 TYR HB3 3.480 . 3.680 2.072 2.018 2.155 . 0 0 "[ . 1 . 2]" 1
1952 1 64 TYR QE 1 65 TYR HA 4.060 . 4.260 4.207 4.070 4.300 0.040 12 0 "[ . 1 . 2]" 1
1953 1 64 TYR QD 1 65 TYR H 3.590 . 3.790 2.614 2.547 2.669 . 0 0 "[ . 1 . 2]" 1
1954 1 64 TYR QE 1 68 LEU HG 5.500 . 5.700 5.033 4.952 5.181 . 0 0 "[ . 1 . 2]" 1
1955 1 65 TYR QB 2 37 LEU QB . . 4.880 4.748 3.881 4.972 0.092 2 0 "[ . 1 . 2]" 1
1956 1 65 TYR HA 1 68 LEU MD2 3.720 . 3.920 2.132 1.911 2.252 . 0 0 "[ . 1 . 2]" 1
1957 1 65 TYR H 1 66 HIS QB 4.560 . 4.760 4.500 4.357 4.781 0.021 8 0 "[ . 1 . 2]" 1
1958 1 65 TYR H 1 67 LEU H 4.630 . 4.830 4.445 4.313 4.560 . 0 0 "[ . 1 . 2]" 1
1959 1 65 TYR QB 1 66 HIS H 3.680 . 3.880 2.782 2.589 3.074 . 0 0 "[ . 1 . 2]" 1
1960 1 65 TYR HA 1 68 LEU HB2 5.000 . 5.190 4.880 4.668 5.015 . 0 0 "[ . 1 . 2]" 1
1961 1 65 TYR H 1 66 HIS H 3.550 . 3.750 2.706 2.660 2.767 . 0 0 "[ . 1 . 2]" 1
1962 1 65 TYR HD2 1 66 HIS H 5.180 . 5.380 4.287 4.127 4.534 . 0 0 "[ . 1 . 2]" 1
1963 1 65 TYR HD2 2 37 LEU QD 3.930 . 4.130 2.569 2.003 4.122 . 0 0 "[ . 1 . 2]" 1
1964 1 65 TYR H 1 65 TYR QB 3.510 . 3.570 2.140 2.071 2.227 . 0 0 "[ . 1 . 2]" 1
1965 1 65 TYR H 1 67 LEU MD2 5.500 . 5.700 5.275 5.168 5.587 . 0 0 "[ . 1 . 2]" 1
1966 1 65 TYR HA 1 69 ALA H 3.850 . 4.050 3.908 3.774 4.020 . 0 0 "[ . 1 . 2]" 1
1967 1 65 TYR HA 1 68 LEU MD1 3.820 . 4.020 3.566 3.358 3.769 . 0 0 "[ . 1 . 2]" 1
1968 1 65 TYR HA 1 69 ALA MB 4.590 . 4.790 4.151 4.021 4.308 . 0 0 "[ . 1 . 2]" 1
1969 1 65 TYR QB 1 68 LEU HG 5.500 . 5.700 4.240 4.119 4.423 . 0 0 "[ . 1 . 2]" 1
1970 1 65 TYR HE1 1 69 ALA H 5.120 . 5.320 5.285 5.018 5.353 0.033 6 0 "[ . 1 . 2]" 1
1971 1 65 TYR H 1 67 LEU MD1 5.500 . 5.700 5.578 5.053 5.727 0.027 17 0 "[ . 1 . 2]" 1
1972 1 65 TYR HA 1 68 LEU HG 3.560 . 3.760 2.304 2.174 2.497 . 0 0 "[ . 1 . 2]" 1
1973 1 65 TYR HE2 1 69 ALA MB 5.290 . 5.490 5.463 5.227 5.564 0.074 3 0 "[ . 1 . 2]" 1
1974 1 65 TYR H 1 67 LEU HG 5.280 . 5.480 4.804 4.707 4.875 . 0 0 "[ . 1 . 2]" 1
1975 1 65 TYR HA 1 68 LEU HB3 4.780 . 4.980 3.929 3.775 4.012 . 0 0 "[ . 1 . 2]" 1
1976 1 66 HIS H 1 68 LEU MD2 4.860 . 5.060 4.842 4.616 4.989 . 0 0 "[ . 1 . 2]" 1
1977 1 66 HIS H 1 67 LEU H 3.410 . 3.610 2.830 2.714 2.914 . 0 0 "[ . 1 . 2]" 1
1978 1 66 HIS QB 1 67 LEU HA 5.030 . 5.230 4.053 3.671 4.258 . 0 0 "[ . 1 . 2]" 1
1979 1 66 HIS H 1 66 HIS HB2 3.540 . 3.740 2.528 2.277 2.722 . 0 0 "[ . 1 . 2]" 1
1980 1 66 HIS HB3 1 70 GLU HG2 5.500 . 5.700 5.166 3.824 5.747 0.047 2 0 "[ . 1 . 2]" 1
1981 1 66 HIS HD2 1 69 ALA MB 4.770 . 4.970 4.253 3.190 4.922 . 0 0 "[ . 1 . 2]" 1
1982 1 66 HIS H 1 66 HIS HB3 3.540 . 3.740 2.688 2.339 3.653 . 0 0 "[ . 1 . 2]" 1
1983 1 66 HIS H 1 66 HIS QB 2.800 . 3.000 2.269 2.211 2.516 . 0 0 "[ . 1 . 2]" 1
1984 1 66 HIS HA 1 66 HIS HD2 3.700 . 3.900 3.220 2.488 4.004 0.104 11 0 "[ . 1 . 2]" 1
1985 1 66 HIS QB 1 69 ALA MB 4.370 . 4.570 4.169 3.830 4.395 . 0 0 "[ . 1 . 2]" 1
1986 1 66 HIS QB 1 69 ALA H 5.340 . 5.540 4.952 4.753 5.097 . 0 0 "[ . 1 . 2]" 1
1987 1 66 HIS QB 1 70 GLU HG3 5.240 . 5.440 4.800 3.702 5.318 . 0 0 "[ . 1 . 2]" 1
1988 1 66 HIS HA 1 69 ALA H 4.010 . 4.210 3.590 3.268 3.846 . 0 0 "[ . 1 . 2]" 1
1989 1 66 HIS H 1 66 HIS HD1 4.750 . 4.950 4.723 3.508 4.978 0.028 7 0 "[ . 1 . 2]" 1
1990 1 66 HIS HB2 1 70 GLU HG2 5.500 . 5.700 5.659 5.149 5.819 0.119 11 0 "[ . 1 . 2]" 1
1991 1 66 HIS H 1 68 LEU H 4.430 . 4.630 4.163 4.069 4.258 . 0 0 "[ . 1 . 2]" 1
1992 1 66 HIS H 1 68 LEU HG 5.500 . 5.700 4.800 4.621 5.006 . 0 0 "[ . 1 . 2]" 1
1993 1 66 HIS H 1 67 LEU QD 4.480 . 4.680 4.688 4.632 4.722 0.042 3 0 "[ . 1 . 2]" 1
1994 1 66 HIS HA 1 69 ALA MB 3.220 . 3.420 2.447 2.226 2.683 . 0 0 "[ . 1 . 2]" 1
1995 1 66 HIS QB 1 67 LEU HB3 4.860 . 5.060 4.001 3.787 4.255 . 0 0 "[ . 1 . 2]" 1
1996 1 66 HIS HA 1 67 LEU HA 4.830 . 5.030 4.605 4.539 4.659 . 0 0 "[ . 1 . 2]" 1
1997 1 66 HIS QB 1 67 LEU H 3.500 . 3.700 2.469 2.222 2.825 . 0 0 "[ . 1 . 2]" 1
1998 1 66 HIS QB 1 67 LEU QD 5.170 . 5.370 4.233 3.930 4.536 . 0 0 "[ . 1 . 2]" 1
1999 1 66 HIS H 1 67 LEU HB3 5.500 . 5.700 5.344 5.243 5.551 . 0 0 "[ . 1 . 2]" 1
2000 1 66 HIS HA 1 68 LEU HG 4.920 . 5.120 4.985 4.617 5.160 0.040 12 0 "[ . 1 . 2]" 1
2001 1 67 LEU HG 1 68 LEU H 3.500 . 3.700 2.624 2.533 3.065 . 0 0 "[ . 1 . 2]" 1
2002 1 67 LEU QD 1 68 LEU HA 4.650 . 4.850 2.732 2.597 2.908 . 0 0 "[ . 1 . 2]" 1
2003 1 67 LEU H 1 68 LEU H 3.530 . 3.730 2.645 2.560 2.723 . 0 0 "[ . 1 . 2]" 1
2004 1 67 LEU HA 1 68 LEU HA 4.870 . 5.070 4.637 4.574 4.684 . 0 0 "[ . 1 . 2]" 1
2005 1 67 LEU H 1 67 LEU HG 3.160 . 3.360 2.285 2.093 2.394 . 0 0 "[ . 1 . 2]" 1
2006 1 67 LEU HA 1 70 GLU HG3 3.870 . 4.070 2.543 1.982 3.138 . 0 0 "[ . 1 . 2]" 1
2007 1 67 LEU QD 1 68 LEU HB3 4.470 . 4.670 2.749 2.428 2.947 . 0 0 "[ . 1 . 2]" 1
2008 1 67 LEU H 1 67 LEU HB3 3.660 . 3.860 2.635 2.579 2.740 . 0 0 "[ . 1 . 2]" 1
2009 1 67 LEU QD 1 69 ALA H 5.140 . 5.340 4.381 4.164 4.498 . 0 0 "[ . 1 . 2]" 1
2010 1 67 LEU QD 1 68 LEU MD2 4.090 . 4.290 3.901 3.601 4.067 . 0 0 "[ . 1 . 2]" 1
2011 1 67 LEU QD 1 68 LEU HB2 3.970 . 4.170 3.747 3.538 3.887 . 0 0 "[ . 1 . 2]" 1
2012 1 67 LEU H 1 67 LEU MD2 4.150 . 4.350 3.307 3.225 3.527 . 0 0 "[ . 1 . 2]" 1
2013 1 67 LEU QD 1 68 LEU H 4.030 . 4.230 2.529 2.116 2.724 . 0 0 "[ . 1 . 2]" 1
2014 1 67 LEU H 1 69 ALA H 4.340 . 4.540 3.988 3.897 4.097 . 0 0 "[ . 1 . 2]" 1
2015 1 67 LEU HA 1 69 ALA H 5.190 . 5.390 4.201 4.128 4.294 . 0 0 "[ . 1 . 2]" 1
2016 1 67 LEU H 1 67 LEU QD 3.280 . 3.480 3.061 2.986 3.119 . 0 0 "[ . 1 . 2]" 1
2017 1 67 LEU H 1 70 GLU HG2 5.410 . 5.610 5.097 4.412 5.660 0.050 8 0 "[ . 1 . 2]" 1
2018 1 67 LEU HA 1 70 GLU QB 3.050 . 3.250 2.665 2.325 3.087 . 0 0 "[ . 1 . 2]" 1
2019 1 67 LEU HB2 1 67 LEU QD 3.060 . 3.260 2.094 2.060 2.121 . 0 0 "[ . 1 . 2]" 1
2020 1 67 LEU HA 1 71 LYS H 5.320 . 5.520 4.245 4.130 4.359 . 0 0 "[ . 1 . 2]" 1
2021 1 67 LEU H 1 67 LEU MD1 4.150 . 4.350 3.632 3.225 3.742 . 0 0 "[ . 1 . 2]" 1
2022 1 68 LEU MD1 1 72 ILE HB 3.990 . 4.190 3.340 3.175 3.489 . 0 0 "[ . 1 . 2]" 1
2023 1 68 LEU HB3 1 69 ALA H 3.730 . 3.930 3.767 3.656 3.848 . 0 0 "[ . 1 . 2]" 1
2024 1 68 LEU HG 1 69 ALA MB 3.280 . 3.480 3.407 3.253 3.497 0.017 3 0 "[ . 1 . 2]" 1
2025 1 68 LEU HG 1 69 ALA HA 4.390 . 4.590 3.926 3.713 4.081 . 0 0 "[ . 1 . 2]" 1
2026 1 68 LEU H 1 70 GLU H 4.730 . 4.930 3.851 3.791 3.931 . 0 0 "[ . 1 . 2]" 1
2027 1 68 LEU H 1 68 LEU HG 3.410 . 3.610 2.789 2.690 2.888 . 0 0 "[ . 1 . 2]" 1
2028 1 68 LEU MD1 1 72 ILE H 4.270 . 4.470 4.013 3.824 4.178 . 0 0 "[ . 1 . 2]" 1
2029 1 68 LEU MD1 1 69 ALA H 3.980 . 4.180 3.068 2.916 3.172 . 0 0 "[ . 1 . 2]" 1
2030 1 68 LEU HA 1 68 LEU MD1 3.380 . 3.580 3.455 3.398 3.508 . 0 0 "[ . 1 . 2]" 1
2031 1 68 LEU MD1 1 70 GLU H 5.130 . 5.330 4.744 4.657 4.805 . 0 0 "[ . 1 . 2]" 1
2032 1 68 LEU H 1 69 ALA H 3.310 . 3.510 2.412 2.356 2.455 . 0 0 "[ . 1 . 2]" 1
2033 1 68 LEU HB2 1 69 ALA H 4.110 . 4.310 4.102 4.034 4.180 . 0 0 "[ . 1 . 2]" 1
2034 1 68 LEU MD1 1 69 ALA MB 4.400 . 4.600 3.395 3.175 3.540 . 0 0 "[ . 1 . 2]" 1
2035 1 68 LEU MD2 1 69 ALA H 4.370 . 4.570 4.011 3.842 4.119 . 0 0 "[ . 1 . 2]" 1
2036 1 68 LEU H 1 68 LEU HB3 3.170 . 3.370 2.376 2.303 2.441 . 0 0 "[ . 1 . 2]" 1
2037 1 68 LEU H 1 68 LEU MD2 4.180 . 4.380 3.440 3.306 3.506 . 0 0 "[ . 1 . 2]" 1
2038 1 68 LEU HB2 1 70 GLU H 5.500 . 5.700 5.742 5.705 5.794 0.094 19 0 "[ . 1 . 2]" 1
2039 1 68 LEU H 1 69 ALA MB 4.300 . 4.500 4.027 3.935 4.102 . 0 0 "[ . 1 . 2]" 1
2040 1 68 LEU H 1 68 LEU HB2 3.560 . 3.760 3.597 3.566 3.626 . 0 0 "[ . 1 . 2]" 1
2041 1 68 LEU HB3 1 68 LEU HG 2.980 . 3.180 2.609 2.590 2.643 . 0 0 "[ . 1 . 2]" 1
2042 1 68 LEU HA 1 70 GLU H 4.590 . 4.790 4.084 3.977 4.227 . 0 0 "[ . 1 . 2]" 1
2043 1 68 LEU HA 1 71 LYS QB 4.200 . 4.400 3.648 2.689 4.249 . 0 0 "[ . 1 . 2]" 1
2044 1 68 LEU MD1 1 69 ALA HA 2.950 . 3.150 2.770 2.605 2.917 . 0 0 "[ . 1 . 2]" 1
2045 1 68 LEU HA 1 68 LEU HG 3.800 . 4.000 3.839 3.800 3.859 . 0 0 "[ . 1 . 2]" 1
2046 1 68 LEU HA 1 71 LYS QE 4.930 . 5.130 4.307 2.781 5.136 0.006 16 0 "[ . 1 . 2]" 1
2047 1 68 LEU MD1 1 71 LYS H 5.330 . 5.530 4.960 4.823 5.144 . 0 0 "[ . 1 . 2]" 1
2048 1 68 LEU HA 1 68 LEU MD2 4.370 . 4.570 4.118 4.039 4.164 . 0 0 "[ . 1 . 2]" 1
2049 1 68 LEU HA 1 71 LYS H 3.860 . 4.060 3.242 3.074 3.528 . 0 0 "[ . 1 . 2]" 1
2050 1 68 LEU HG 1 69 ALA H 4.200 . 4.400 2.387 2.201 2.517 . 0 0 "[ . 1 . 2]" 1
2051 1 68 LEU MD2 1 72 ILE MG 5.190 . 5.390 5.090 4.838 5.355 . 0 0 "[ . 1 . 2]" 1
2052 1 68 LEU H 1 68 LEU MD1 4.130 . 4.330 3.968 3.911 4.027 . 0 0 "[ . 1 . 2]" 1
2053 1 68 LEU HA 1 72 ILE MG 5.420 . 5.620 4.668 4.486 4.861 . 0 0 "[ . 1 . 2]" 1
2054 1 68 LEU HA 1 70 GLU QB 5.070 . 5.270 4.641 4.363 5.011 . 0 0 "[ . 1 . 2]" 1
2055 1 68 LEU HB2 1 68 LEU MD1 3.410 . 3.610 2.158 2.127 2.214 . 0 0 "[ . 1 . 2]" 1
2056 1 65 TYR HA 1 68 LEU H 4.500 . 4.700 3.777 3.710 3.883 . 0 0 "[ . 1 . 2]" 1
2057 1 69 ALA H 1 70 GLU HG3 5.480 . 5.680 5.257 4.220 5.711 0.031 1 0 "[ . 1 . 2]" 1
2058 1 69 ALA MB 1 70 GLU HA 4.040 . 4.240 3.834 3.735 3.955 . 0 0 "[ . 1 . 2]" 1
2059 1 69 ALA HA 1 72 ILE MG 3.290 . 3.490 1.843 1.772 1.940 0.028 16 0 "[ . 1 . 2]" 1
2060 1 69 ALA HA 2 49 LEU QD 3.670 . 3.870 2.532 1.885 3.261 . 0 0 "[ . 1 . 2]" 1
2061 1 69 ALA H 1 72 ILE MG 4.650 . 4.850 3.956 3.831 4.094 . 0 0 "[ . 1 . 2]" 1
2062 1 69 ALA MB 2 49 LEU QD 2.680 . 2.880 2.339 2.060 2.908 0.028 16 0 "[ . 1 . 2]" 1
2063 1 69 ALA MB 1 73 TYR HB3 5.480 . 5.680 4.747 4.365 5.104 . 0 0 "[ . 1 . 2]" 1
2064 1 69 ALA MB 1 70 GLU H 3.240 . 3.440 2.556 2.424 2.680 . 0 0 "[ . 1 . 2]" 1
2065 1 69 ALA HA 1 72 ILE HB 3.810 . 4.010 3.838 3.570 3.941 . 0 0 "[ . 1 . 2]" 1
2066 1 69 ALA MB 1 72 ILE HB 5.000 . 5.200 5.252 5.065 5.320 0.120 19 0 "[ . 1 . 2]" 1
2067 1 69 ALA HA 1 72 ILE QG 5.180 . 5.380 4.912 4.796 5.043 . 0 0 "[ . 1 . 2]" 1
2068 1 69 ALA MB 1 72 ILE MG 3.240 . 3.440 3.170 3.091 3.253 . 0 0 "[ . 1 . 2]" 1
2069 1 69 ALA H 1 69 ALA MB 2.830 . 3.030 2.182 2.115 2.223 . 0 0 "[ . 1 . 2]" 1
2070 1 69 ALA H 1 72 ILE HB 5.500 . 5.700 5.690 5.426 5.761 0.061 8 0 "[ . 1 . 2]" 1
2071 1 69 ALA H 1 70 GLU H 3.300 . 3.500 2.572 2.511 2.645 . 0 0 "[ . 1 . 2]" 1
2072 1 69 ALA MB 1 73 TYR HB2 5.060 . 5.260 3.970 3.512 4.266 . 0 0 "[ . 1 . 2]" 1
2073 1 69 ALA HA 1 72 ILE MD 3.980 . 4.180 4.057 3.965 4.184 0.004 4 0 "[ . 1 . 2]" 1
2074 1 70 GLU HA 1 73 TYR HD1 4.640 . 4.840 4.186 3.698 4.665 . 0 0 "[ . 1 . 2]" 1
2075 1 70 GLU H 1 72 ILE MG 4.150 . 4.350 4.030 3.941 4.116 . 0 0 "[ . 1 . 2]" 1
2076 1 70 GLU HG2 1 72 ILE MG 5.500 . 5.700 5.750 5.591 5.870 0.170 11 0 "[ . 1 . 2]" 1
2077 1 70 GLU H 1 70 GLU HG3 3.710 . 3.910 3.183 2.225 3.610 . 0 0 "[ . 1 . 2]" 1
2078 1 70 GLU HG3 1 71 LYS H 4.710 . 4.910 4.563 3.906 4.927 0.017 1 0 "[ . 1 . 2]" 1
2079 1 70 GLU HA 1 70 GLU HG2 3.400 . 3.600 2.683 2.521 2.998 . 0 0 "[ . 1 . 2]" 1
2080 1 70 GLU H 1 70 GLU HG2 3.600 . 3.800 2.469 2.081 2.931 . 0 0 "[ . 1 . 2]" 1
2081 1 70 GLU H 1 70 GLU QB 2.970 . 3.170 2.433 2.232 2.643 . 0 0 "[ . 1 . 2]" 1
2082 1 70 GLU HA 1 74 LYS QE 4.960 . 5.160 4.289 3.911 4.724 . 0 0 "[ . 1 . 2]" 1
2083 1 70 GLU HG2 1 73 TYR HB2 5.500 . 5.700 5.652 5.413 5.799 0.099 5 0 "[ . 1 . 2]" 1
2084 1 70 GLU QB 1 71 LYS H 2.970 . 3.170 2.463 2.307 2.564 . 0 0 "[ . 1 . 2]" 1
2085 1 70 GLU QB 1 73 TYR HB3 5.500 . 5.700 4.355 4.043 4.687 . 0 0 "[ . 1 . 2]" 1
2086 1 70 GLU QB 1 71 LYS QG 4.720 . 4.920 4.452 3.998 4.964 0.044 20 0 "[ . 1 . 2]" 1
2087 1 70 GLU HA 1 73 TYR HB2 3.920 . 4.120 3.470 3.092 3.755 . 0 0 "[ . 1 . 2]" 1
2088 1 70 GLU HA 1 73 TYR HB3 3.970 . 4.170 2.643 2.325 2.893 . 0 0 "[ . 1 . 2]" 1
2089 1 70 GLU H 1 71 LYS H 3.310 . 3.510 2.688 2.548 2.865 . 0 0 "[ . 1 . 2]" 1
2090 1 71 LYS HA 1 71 LYS QD 3.910 . 4.110 3.675 3.258 3.942 . 0 0 "[ . 1 . 2]" 1
2091 1 71 LYS HA 1 74 LYS HG2 4.200 . 4.400 2.134 2.019 2.369 . 0 0 "[ . 1 . 2]" 1
2092 1 71 LYS HA 1 74 LYS H 4.450 . 4.650 3.537 3.445 3.671 . 0 0 "[ . 1 . 2]" 1
2093 1 71 LYS HA 1 74 LYS HB3 4.000 . 4.200 4.018 3.891 4.186 . 0 0 "[ . 1 . 2]" 1
2094 1 71 LYS QE 1 72 ILE HA 5.500 . 5.700 4.065 3.687 4.449 . 0 0 "[ . 1 . 2]" 1
2095 1 71 LYS QG 1 72 ILE MG 3.670 . 3.870 3.885 3.726 3.930 0.060 10 0 "[ . 1 . 2]" 1
2096 1 71 LYS H 1 72 ILE HA 5.420 . 5.620 5.251 5.180 5.342 . 0 0 "[ . 1 . 2]" 1
2097 1 71 LYS QG 1 72 ILE H 3.380 . 3.580 2.471 2.304 2.604 . 0 0 "[ . 1 . 2]" 1
2098 1 71 LYS QE 1 75 ILE MD 5.000 . 5.200 4.165 2.687 5.205 0.005 19 0 "[ . 1 . 2]" 1
2099 1 71 LYS H 1 72 ILE MG 4.210 . 4.410 3.968 3.861 4.032 . 0 0 "[ . 1 . 2]" 1
2100 1 71 LYS HG2 1 72 ILE H 3.900 . 4.100 4.118 3.967 4.148 0.048 10 0 "[ . 1 . 2]" 1
2101 1 71 LYS H 1 71 LYS QB 3.180 . 3.380 2.517 2.107 2.652 . 0 0 "[ . 1 . 2]" 1
2102 1 71 LYS HA 1 72 ILE MG 5.200 . 5.400 5.042 4.968 5.116 . 0 0 "[ . 1 . 2]" 1
2103 1 71 LYS QE 1 72 ILE MD 5.500 . 5.700 5.245 4.686 5.723 0.023 5 0 "[ . 1 . 2]" 1
2104 1 71 LYS HG3 1 72 ILE H 3.900 . 4.100 2.491 2.319 2.631 . 0 0 "[ . 1 . 2]" 1
2105 1 71 LYS H 1 73 TYR H 4.200 . 4.400 4.213 3.940 4.331 . 0 0 "[ . 1 . 2]" 1
2106 1 71 LYS H 1 72 ILE H 3.430 . 3.630 2.676 2.610 2.750 . 0 0 "[ . 1 . 2]" 1
2107 1 71 LYS QD 1 75 ILE QG 3.940 . 4.140 3.741 2.847 4.179 0.039 16 0 "[ . 1 . 2]" 1
2108 1 71 LYS HA 1 75 ILE MD 3.610 . 3.810 3.403 3.214 3.653 . 0 0 "[ . 1 . 2]" 1
2109 1 71 LYS QB 1 71 LYS QE 4.170 . 4.370 3.263 1.957 3.809 . 0 0 "[ . 1 . 2]" 1
2110 1 71 LYS H 1 71 LYS QG 3.440 . 3.640 2.524 2.185 3.256 . 0 0 "[ . 1 . 2]" 1
2111 1 71 LYS QD 1 72 ILE HA 3.920 . 4.120 2.628 2.365 2.860 . 0 0 "[ . 1 . 2]" 1
2112 1 71 LYS HA 1 74 LYS HB2 5.000 . 5.200 4.924 4.825 5.088 . 0 0 "[ . 1 . 2]" 1
2113 1 71 LYS QD 1 75 ILE HB 4.150 . 4.350 3.794 3.095 4.233 . 0 0 "[ . 1 . 2]" 1
2114 1 71 LYS QD 1 75 ILE MD 3.660 . 3.860 3.220 2.178 3.866 0.006 18 0 "[ . 1 . 2]" 1
2115 1 71 LYS QE 1 72 ILE MG 5.090 . 5.290 4.994 4.240 5.420 0.130 14 0 "[ . 1 . 2]" 1
2116 1 71 LYS QD 1 72 ILE QG 4.060 . 4.260 4.001 3.799 4.379 0.119 20 0 "[ . 1 . 2]" 1
2117 1 71 LYS QB 1 75 ILE MD 3.370 . 3.570 3.160 2.881 3.592 0.022 20 0 "[ . 1 . 2]" 1
2118 1 71 LYS HA 1 75 ILE H 4.500 . 4.700 4.108 3.984 4.280 . 0 0 "[ . 1 . 2]" 1
2119 1 71 LYS QE 1 75 ILE MG 5.500 . 5.700 4.746 3.845 5.518 . 0 0 "[ . 1 . 2]" 1
2120 1 71 LYS H 1 73 TYR HB3 5.500 . 5.700 4.861 4.526 5.150 . 0 0 "[ . 1 . 2]" 1
2121 1 72 ILE HB 2 49 LEU MD2 5.500 . 5.700 4.341 3.772 5.419 . 0 0 "[ . 1 . 2]" 1
2122 1 69 ALA HA 1 72 ILE H 4.500 . 4.700 3.504 3.376 3.585 . 0 0 "[ . 1 . 2]" 1
2123 1 72 ILE HA 1 76 GLN HG2 5.060 . 5.260 4.492 3.963 5.052 . 0 0 "[ . 1 . 2]" 1
2124 1 72 ILE MD 1 76 GLN HB2 5.500 . 5.700 5.710 5.470 5.764 0.064 20 0 "[ . 1 . 2]" 1
2125 1 72 ILE MD 1 73 TYR HA 4.840 . 5.040 4.799 4.644 4.965 . 0 0 "[ . 1 . 2]" 1
2126 1 72 ILE MG 1 73 TYR HB3 4.020 . 4.220 3.830 3.707 3.980 . 0 0 "[ . 1 . 2]" 1
2127 1 72 ILE MG 1 73 TYR HB2 4.480 . 4.680 3.173 3.024 3.440 . 0 0 "[ . 1 . 2]" 1
2128 1 72 ILE HB 1 76 GLN HE21 5.500 . 5.700 4.889 4.458 5.594 . 0 0 "[ . 1 . 2]" 1
2129 1 72 ILE MG 1 76 GLN HG3 4.110 . 4.310 3.810 3.667 3.951 . 0 0 "[ . 1 . 2]" 1
2130 1 72 ILE MG 1 76 GLN HE21 3.930 . 4.130 3.351 2.790 3.801 . 0 0 "[ . 1 . 2]" 1
2131 1 72 ILE QG 1 73 TYR H 4.630 . 4.830 3.673 3.489 3.928 . 0 0 "[ . 1 . 2]" 1
2132 1 72 ILE MD 1 73 TYR HB2 5.500 . 5.700 5.348 5.181 5.615 . 0 0 "[ . 1 . 2]" 1
2133 1 72 ILE HA 1 75 ILE HB 3.650 . 3.850 2.431 2.316 2.618 . 0 0 "[ . 1 . 2]" 1
2134 1 72 ILE MG 1 76 GLN HE22 4.610 . 4.810 4.478 3.738 4.915 0.105 11 0 "[ . 1 . 2]" 1
2135 1 72 ILE HA 1 75 ILE MD 4.020 . 4.220 3.751 3.312 4.087 . 0 0 "[ . 1 . 2]" 1
2136 1 72 ILE MD 2 50 MET ME 5.500 . 5.700 4.921 3.864 5.784 0.084 6 0 "[ . 1 . 2]" 1
2137 1 72 ILE MD 2 50 MET QB 4.360 . 4.560 3.402 3.047 3.951 . 0 0 "[ . 1 . 2]" 1
2138 1 72 ILE MD 2 49 LEU HA 4.890 . 5.090 4.791 4.375 5.132 0.042 2 0 "[ . 1 . 2]" 1
2139 1 72 ILE MG 2 49 LEU QB 4.450 . 4.650 3.775 3.583 4.178 . 0 0 "[ . 1 . 2]" 1
2140 1 72 ILE MG 2 49 LEU HG 4.020 . 4.220 2.490 1.827 4.063 . 0 0 "[ . 1 . 2]" 1
2141 1 72 ILE MG 2 50 MET HB3 5.500 . 5.700 3.146 2.929 3.344 . 0 0 "[ . 1 . 2]" 1
2142 1 72 ILE H 1 72 ILE HB 3.180 . 3.380 2.652 2.495 2.730 . 0 0 "[ . 1 . 2]" 1
2143 1 72 ILE QG 1 76 GLN HG3 4.400 . 4.600 2.727 2.335 3.182 . 0 0 "[ . 1 . 2]" 1
2144 1 72 ILE HA 1 75 ILE MG 4.150 . 4.350 3.245 3.030 3.436 . 0 0 "[ . 1 . 2]" 1
2145 1 72 ILE MG 2 50 MET HG3 5.500 . 5.700 5.086 4.135 5.741 0.041 4 0 "[ . 1 . 2]" 1
2146 1 72 ILE MG 1 73 TYR HD1 5.500 . 5.700 5.743 5.699 5.797 0.097 15 0 "[ . 1 . 2]" 1
2147 1 72 ILE HA 1 72 ILE MD 3.860 . 4.060 3.832 3.774 3.879 . 0 0 "[ . 1 . 2]" 1
2148 1 72 ILE HA 1 75 ILE H 4.420 . 4.620 3.448 3.345 3.533 . 0 0 "[ . 1 . 2]" 1
2149 1 72 ILE HA 1 72 ILE QG 2.950 . 3.150 2.380 2.290 2.449 . 0 0 "[ . 1 . 2]" 1
2150 1 72 ILE HA 1 72 ILE MG 3.280 . 3.480 3.197 3.177 3.215 . 0 0 "[ . 1 . 2]" 1
2151 1 72 ILE HA 1 76 GLN H 4.520 . 4.720 4.171 4.066 4.347 . 0 0 "[ . 1 . 2]" 1
2152 1 72 ILE MD 1 72 ILE MG 2.630 . 2.830 1.815 1.788 1.864 0.012 10 0 "[ . 1 . 2]" 1
2153 1 72 ILE QG 1 72 ILE MG 2.700 . 2.900 2.293 2.223 2.345 . 0 0 "[ . 1 . 2]" 1
2154 1 72 ILE QG 1 76 GLN HG2 3.760 . 3.960 2.909 2.454 3.379 . 0 0 "[ . 1 . 2]" 1
2155 1 72 ILE MG 1 76 GLN HG2 4.640 . 4.840 4.590 3.903 4.939 0.099 15 0 "[ . 1 . 2]" 1
2156 1 72 ILE H 1 72 ILE QG 4.080 . 4.280 3.977 3.907 4.031 . 0 0 "[ . 1 . 2]" 1
2157 1 72 ILE MD 2 49 LEU HG 4.000 . 4.200 3.098 2.312 4.069 . 0 0 "[ . 1 . 2]" 1
2158 1 72 ILE HB 2 50 MET HB3 5.500 . 5.700 5.821 5.738 5.933 0.233 4 0 "[ . 1 . 2]" 1
2159 1 72 ILE H 1 72 ILE MG 3.000 . 3.200 2.107 1.979 2.223 . 0 0 "[ . 1 . 2]" 1
2160 1 72 ILE MG 1 73 TYR HA 3.550 . 3.750 3.235 3.080 3.423 . 0 0 "[ . 1 . 2]" 1
2161 1 72 ILE MG 1 76 GLN HB2 5.500 . 5.700 5.324 5.028 5.612 . 0 0 "[ . 1 . 2]" 1
2162 1 72 ILE MD 2 49 LEU HB3 5.500 . 5.700 4.809 4.628 5.099 . 0 0 "[ . 1 . 2]" 1
2163 1 73 TYR H 1 76 GLN HE21 5.100 . 5.300 5.090 4.450 5.367 0.067 20 0 "[ . 1 . 2]" 1
2164 1 73 TYR HA 1 76 GLN HE21 4.970 . 5.170 4.097 3.445 4.546 . 0 0 "[ . 1 . 2]" 1
2165 1 73 TYR HB3 1 74 LYS H 3.860 . 4.060 2.316 1.978 2.519 . 0 0 "[ . 1 . 2]" 1
2166 1 73 TYR HB3 1 77 LYS HD2 5.500 . 5.700 5.207 4.786 5.523 . 0 0 "[ . 1 . 2]" 1
2167 1 73 TYR HA 1 77 LYS QE 4.590 . 4.790 4.095 3.465 4.836 0.046 7 0 "[ . 1 . 2]" 1
2168 1 73 TYR HD1 1 74 LYS H 3.960 . 4.160 2.858 2.560 3.052 . 0 0 "[ . 1 . 2]" 1
2169 1 73 TYR HA 1 77 LYS HD2 5.220 . 5.420 5.360 5.019 5.494 0.074 14 0 "[ . 1 . 2]" 1
2170 1 73 TYR HE1 1 77 LYS QE 4.280 . 4.480 2.949 2.387 3.669 . 0 0 "[ . 1 . 2]" 1
2171 1 73 TYR HD1 1 74 LYS HA 4.510 . 4.710 2.973 2.815 3.076 . 0 0 "[ . 1 . 2]" 1
2172 1 73 TYR HD1 1 77 LYS H 5.500 . 5.700 5.350 5.069 5.588 . 0 0 "[ . 1 . 2]" 1
2173 1 73 TYR HE1 1 77 LYS HE2 4.920 . 5.120 4.162 2.511 4.979 . 0 0 "[ . 1 . 2]" 1
2174 1 73 TYR HA 1 76 GLN HB3 4.880 . 5.080 4.685 4.317 5.066 . 0 0 "[ . 1 . 2]" 1
2175 1 73 TYR HB3 1 74 LYS HB3 5.500 . 5.700 4.104 3.782 4.346 . 0 0 "[ . 1 . 2]" 1
2176 1 73 TYR HA 1 75 ILE MG 5.380 . 5.580 5.415 5.260 5.588 0.008 17 0 "[ . 1 . 2]" 1
2177 1 73 TYR HA 1 74 LYS HA 4.860 . 5.060 4.712 4.652 4.760 . 0 0 "[ . 1 . 2]" 1
2178 1 73 TYR HD1 1 74 LYS HG3 5.500 . 5.700 5.645 5.343 5.780 0.080 4 0 "[ . 1 . 2]" 1
2179 1 73 TYR HA 1 76 GLN HG2 4.850 . 5.050 4.149 3.162 4.964 . 0 0 "[ . 1 . 2]" 1
2180 1 73 TYR HE1 1 77 LYS HE3 4.920 . 5.120 3.236 2.403 4.270 . 0 0 "[ . 1 . 2]" 1
2181 1 73 TYR H 1 73 TYR HB3 4.150 . 4.350 2.319 2.222 2.466 . 0 0 "[ . 1 . 2]" 1
2182 1 73 TYR HD1 1 74 LYS HG2 5.380 . 5.580 4.777 4.406 4.964 . 0 0 "[ . 1 . 2]" 1
2183 1 73 TYR HA 1 76 GLN H 4.000 . 4.200 3.556 3.417 3.705 . 0 0 "[ . 1 . 2]" 1
2184 1 73 TYR HD1 1 74 LYS QE 5.090 . 5.290 4.501 3.717 5.113 . 0 0 "[ . 1 . 2]" 1
2185 1 73 TYR HD1 1 76 GLN H 5.500 . 5.700 5.739 5.634 5.776 0.076 6 0 "[ . 1 . 2]" 1
2186 1 73 TYR HA 1 73 TYR HD1 4.260 . 4.460 4.030 3.705 4.193 . 0 0 "[ . 1 . 2]" 1
2187 1 73 TYR HB3 2 50 MET HB3 5.500 . 5.700 5.552 4.745 5.885 0.185 5 0 "[ . 1 . 2]" 1
2188 1 73 TYR HB3 1 75 ILE H 5.500 . 5.700 4.692 4.374 4.883 . 0 0 "[ . 1 . 2]" 1
2189 1 73 TYR HA 1 77 LYS H 4.890 . 5.090 4.389 4.279 4.487 . 0 0 "[ . 1 . 2]" 1
2190 1 73 TYR HA 1 76 GLN HB2 3.980 . 4.180 3.165 2.886 3.545 . 0 0 "[ . 1 . 2]" 1
2191 1 74 LYS HB3 1 74 LYS QD 3.460 . 3.660 2.928 2.796 3.021 . 0 0 "[ . 1 . 2]" 1
2192 1 74 LYS HG3 1 75 ILE HA 4.840 . 5.040 3.381 3.194 3.649 . 0 0 "[ . 1 . 2]" 1
2193 1 74 LYS HB3 1 77 LYS HD2 4.670 . 4.870 4.358 3.928 4.725 . 0 0 "[ . 1 . 2]" 1
2194 1 74 LYS HB3 1 75 ILE H 4.710 . 4.910 3.983 3.916 4.077 . 0 0 "[ . 1 . 2]" 1
2195 1 74 LYS H 1 74 LYS HB2 3.610 . 3.810 3.643 3.614 3.660 . 0 0 "[ . 1 . 2]" 1
2196 1 74 LYS HB3 1 75 ILE MD 4.350 . 4.550 4.520 4.438 4.597 0.047 2 0 "[ . 1 . 2]" 1
2197 1 74 LYS HG2 1 75 ILE MD 3.490 . 3.690 2.769 2.612 2.976 . 0 0 "[ . 1 . 2]" 1
2198 1 74 LYS HG2 1 76 GLN H 4.960 . 5.160 5.058 4.942 5.151 . 0 0 "[ . 1 . 2]" 1
2199 1 74 LYS HA 1 78 GLU H 4.480 . 4.680 4.025 3.875 4.182 . 0 0 "[ . 1 . 2]" 1
2200 1 74 LYS HA 1 77 LYS QE 5.300 . 5.500 3.764 3.100 4.460 . 0 0 "[ . 1 . 2]" 1
2201 1 74 LYS HG3 1 75 ILE H 4.300 . 4.500 2.637 2.363 2.838 . 0 0 "[ . 1 . 2]" 1
2202 1 74 LYS H 1 75 ILE H 3.460 . 3.660 2.631 2.552 2.705 . 0 0 "[ . 1 . 2]" 1
2203 1 74 LYS HA 1 74 LYS HG3 3.710 . 3.910 3.698 3.652 3.750 . 0 0 "[ . 1 . 2]" 1
2204 1 74 LYS HG3 1 75 ILE MD 3.200 . 3.400 2.062 1.968 2.163 . 0 0 "[ . 1 . 2]" 1
2205 1 74 LYS HG3 1 75 ILE QG 5.190 . 5.390 4.110 3.955 4.235 . 0 0 "[ . 1 . 2]" 1
2206 1 74 LYS HB2 1 74 LYS QD 3.390 . 3.590 2.485 2.440 2.537 . 0 0 "[ . 1 . 2]" 1
2207 1 74 LYS QE 1 74 LYS HG3 3.420 . 3.620 3.345 3.299 3.473 . 0 0 "[ . 1 . 2]" 1
2208 1 74 LYS HA 1 74 LYS QD 4.480 . 4.680 4.529 4.506 4.563 . 0 0 "[ . 1 . 2]" 1
2209 1 74 LYS HA 1 77 LYS HG3 4.430 . 4.630 2.751 2.450 2.924 . 0 0 "[ . 1 . 2]" 1
2210 1 74 LYS HG3 1 77 LYS HG3 5.500 . 5.700 5.699 5.580 5.753 0.053 9 0 "[ . 1 . 2]" 1
2211 1 74 LYS QE 1 75 ILE MD 3.970 . 4.170 4.180 4.111 4.231 0.061 18 0 "[ . 1 . 2]" 1
2212 1 74 LYS HG3 1 75 ILE HB 5.030 . 5.230 4.010 3.753 4.336 . 0 0 "[ . 1 . 2]" 1
2213 1 74 LYS HB3 1 74 LYS QE 3.640 . 3.840 2.131 1.925 2.876 . 0 0 "[ . 1 . 2]" 1
2214 1 74 LYS H 1 74 LYS QE 4.090 . 4.290 3.543 3.281 3.792 . 0 0 "[ . 1 . 2]" 1
2215 1 74 LYS HA 1 74 LYS QE 4.670 . 4.870 4.367 4.189 4.926 0.056 13 0 "[ . 1 . 2]" 1
2216 1 74 LYS HB2 1 75 ILE H 4.530 . 4.730 3.971 3.865 4.053 . 0 0 "[ . 1 . 2]" 1
2217 1 74 LYS H 1 74 LYS HB3 2.900 . 3.100 2.535 2.496 2.592 . 0 0 "[ . 1 . 2]" 1
2218 1 74 LYS HA 1 77 LYS HB3 4.890 . 5.090 4.832 4.580 5.049 . 0 0 "[ . 1 . 2]" 1
2219 1 74 LYS HA 1 77 LYS H 3.840 . 4.040 3.549 3.400 3.730 . 0 0 "[ . 1 . 2]" 1
2220 1 74 LYS QD 1 74 LYS HG3 2.670 . 2.870 2.174 2.149 2.192 . 0 0 "[ . 1 . 2]" 1
2221 1 74 LYS HA 1 77 LYS HD3 4.380 . 4.580 3.992 3.729 4.313 . 0 0 "[ . 1 . 2]" 1
2222 1 74 LYS HG2 1 75 ILE MG 5.060 . 5.260 5.328 5.288 5.366 0.106 5 0 "[ . 1 . 2]" 1
2223 1 74 LYS HA 1 77 LYS HB2 5.000 . 5.200 4.882 4.516 5.078 . 0 0 "[ . 1 . 2]" 1
2224 1 74 LYS HA 1 74 LYS HG2 3.960 . 4.160 3.782 3.703 3.828 . 0 0 "[ . 1 . 2]" 1
2225 1 74 LYS HG2 1 75 ILE HB 4.910 . 5.110 4.035 3.958 4.121 . 0 0 "[ . 1 . 2]" 1
2226 1 74 LYS H 1 74 LYS HG2 3.490 . 3.690 2.336 2.189 2.456 . 0 0 "[ . 1 . 2]" 1
2227 1 74 LYS HA 1 77 LYS HG2 4.390 . 4.590 2.334 2.170 2.590 . 0 0 "[ . 1 . 2]" 1
2228 1 75 ILE QG 1 79 LEU QD 4.260 . 4.460 4.382 4.173 4.515 0.055 10 0 "[ . 1 . 2]" 1
2229 1 75 ILE MG 1 79 LEU HG 3.590 . 3.790 3.853 3.800 3.890 0.100 11 0 "[ . 1 . 2]" 1
2230 1 75 ILE HB 1 75 ILE MD 3.160 . 3.360 2.462 2.403 2.518 . 0 0 "[ . 1 . 2]" 1
2231 1 75 ILE HA 1 79 LEU H 4.200 . 4.400 3.807 3.626 4.078 . 0 0 "[ . 1 . 2]" 1
2232 1 75 ILE H 1 79 LEU QD 5.210 . 5.410 5.451 5.337 5.499 0.089 4 0 "[ . 1 . 2]" 1
2233 1 75 ILE MD 2 14 LEU HB2 4.720 . 4.920 4.901 4.595 4.995 0.075 2 0 "[ . 1 . 2]" 1
2234 1 75 ILE HA 1 75 ILE MD 3.160 . 3.360 2.257 2.145 2.416 . 0 0 "[ . 1 . 2]" 1
2235 1 75 ILE HA 1 75 ILE QG 3.690 . 3.890 2.411 2.377 2.499 . 0 0 "[ . 1 . 2]" 1
2236 1 75 ILE MG 2 14 LEU HB3 5.030 . 5.230 4.680 4.263 4.863 . 0 0 "[ . 1 . 2]" 1
2237 1 75 ILE MG 1 79 LEU QD 2.580 . 2.780 2.325 2.158 2.444 . 0 0 "[ . 1 . 2]" 1
2238 1 75 ILE MG 2 14 LEU HB2 5.500 . 5.700 3.941 3.686 4.298 . 0 0 "[ . 1 . 2]" 1
2239 1 75 ILE HA 1 78 GLU HB2 3.840 . 4.040 2.630 2.316 2.914 . 0 0 "[ . 1 . 2]" 1
2240 1 75 ILE HA 1 75 ILE MG 3.370 . 3.570 2.842 2.774 2.888 . 0 0 "[ . 1 . 2]" 1
2241 1 75 ILE HB 2 14 LEU QD 4.160 . 4.360 3.986 3.866 4.217 . 0 0 "[ . 1 . 2]" 1
2242 1 75 ILE MG 1 78 GLU HB3 4.130 . 4.330 3.903 3.570 4.253 . 0 0 "[ . 1 . 2]" 1
2243 1 75 ILE MG 1 79 LEU H 3.880 . 4.080 3.907 3.792 4.005 . 0 0 "[ . 1 . 2]" 1
2244 1 75 ILE MD 1 78 GLU HB2 4.160 . 4.360 3.783 3.466 4.223 . 0 0 "[ . 1 . 2]" 1
2245 1 75 ILE H 1 75 ILE QG 3.870 . 4.070 3.680 3.613 3.719 . 0 0 "[ . 1 . 2]" 1
2246 1 75 ILE MG 1 78 GLU H 4.600 . 4.800 4.635 4.480 4.784 . 0 0 "[ . 1 . 2]" 1
2247 1 75 ILE HA 2 14 LEU QD 4.300 . 4.500 3.288 2.866 4.496 . 0 0 "[ . 1 . 2]" 1
2248 1 75 ILE MG 2 14 LEU HG 4.150 . 4.350 3.807 2.228 4.291 . 0 0 "[ . 1 . 2]" 1
2249 1 75 ILE H 1 75 ILE MD 3.290 . 3.490 2.634 2.529 2.704 . 0 0 "[ . 1 . 2]" 1
2250 1 75 ILE QG 1 76 GLN HG2 5.500 . 5.700 5.689 5.403 5.773 0.073 4 0 "[ . 1 . 2]" 1
2251 1 75 ILE HB 1 76 GLN H 3.380 . 3.580 3.112 2.968 3.256 . 0 0 "[ . 1 . 2]" 1
2252 1 75 ILE H 1 76 GLN HG2 4.970 . 5.170 4.818 4.142 5.220 0.050 3 0 "[ . 1 . 2]" 1
2253 1 75 ILE MG 1 76 GLN HB2 4.730 . 4.930 4.535 4.375 4.769 . 0 0 "[ . 1 . 2]" 1
2254 1 75 ILE H 1 75 ILE HB 3.300 . 3.500 2.120 2.083 2.179 . 0 0 "[ . 1 . 2]" 1
2255 1 75 ILE MG 1 76 GLN H 3.160 . 3.360 2.757 2.609 2.857 . 0 0 "[ . 1 . 2]" 1
2256 1 75 ILE HA 1 78 GLU H 4.010 . 4.210 3.298 3.122 3.511 . 0 0 "[ . 1 . 2]" 1
2257 1 75 ILE MD 1 78 GLU HB3 4.840 . 5.040 4.066 3.712 4.600 . 0 0 "[ . 1 . 2]" 1
2258 1 75 ILE MG 1 76 GLN HG3 4.810 . 5.010 3.895 3.174 4.818 . 0 0 "[ . 1 . 2]" 1
2259 1 75 ILE MG 1 77 LYS H 4.950 . 5.150 4.773 4.646 4.933 . 0 0 "[ . 1 . 2]" 1
2260 1 75 ILE HA 1 78 GLU QG 5.100 . 5.300 3.624 3.170 4.338 . 0 0 "[ . 1 . 2]" 1
2261 1 75 ILE MG 1 76 GLN HA 3.180 . 3.380 2.961 2.835 3.114 . 0 0 "[ . 1 . 2]" 1
2262 1 75 ILE MD 1 78 GLU QG 4.460 . 4.660 3.986 3.401 4.684 0.024 6 0 "[ . 1 . 2]" 1
2263 1 75 ILE MG 1 76 GLN HG2 4.700 . 4.900 2.873 2.386 3.251 . 0 0 "[ . 1 . 2]" 1
2264 1 75 ILE HA 1 77 LYS H 4.980 . 5.180 4.588 4.438 4.694 . 0 0 "[ . 1 . 2]" 1
2265 1 76 GLN HG2 1 79 LEU QD 4.950 . 5.150 3.289 2.801 3.936 . 0 0 "[ . 1 . 2]" 1
2266 1 76 GLN HA 1 77 LYS HG2 5.130 . 5.330 5.241 5.176 5.312 . 0 0 "[ . 1 . 2]" 1
2267 1 76 GLN H 1 79 LEU H 4.770 . 4.970 4.659 4.531 4.858 . 0 0 "[ . 1 . 2]" 1
2268 1 76 GLN HA 1 76 GLN HE21 5.500 . 5.700 4.996 4.456 5.306 . 0 0 "[ . 1 . 2]" 1
2269 1 76 GLN H 1 78 GLU H 4.230 . 4.430 3.863 3.730 4.115 . 0 0 "[ . 1 . 2]" 1
2270 1 76 GLN HG2 1 77 LYS H 4.670 . 4.870 4.519 4.064 4.827 . 0 0 "[ . 1 . 2]" 1
2271 1 76 GLN HA 1 79 LEU H 4.190 . 4.390 3.555 3.363 3.838 . 0 0 "[ . 1 . 2]" 1
2272 1 76 GLN HB2 1 77 LYS HG2 4.260 . 4.460 3.775 3.384 4.109 . 0 0 "[ . 1 . 2]" 1
2273 1 76 GLN HG2 1 79 LEU HG 4.850 . 5.050 4.653 4.152 5.113 0.063 11 0 "[ . 1 . 2]" 1
2274 1 76 GLN HB3 1 79 LEU MD1 4.410 . 4.610 3.896 3.547 4.353 . 0 0 "[ . 1 . 2]" 1
2275 1 76 GLN HA 1 79 LEU MD2 3.620 . 3.820 2.125 2.027 2.233 . 0 0 "[ . 1 . 2]" 1
2276 1 76 GLN HB2 1 77 LYS HE2 4.830 . 5.030 4.132 3.352 5.095 0.065 10 0 "[ . 1 . 2]" 1
2277 1 76 GLN H 1 77 LYS HG3 5.500 . 5.700 5.243 4.914 5.509 . 0 0 "[ . 1 . 2]" 1
2278 1 76 GLN HB2 1 77 LYS QE 4.140 . 4.340 3.804 3.305 4.475 0.135 5 0 "[ . 1 . 2]" 1
2279 1 76 GLN H 1 76 GLN HG3 3.620 . 3.820 2.733 2.189 3.351 . 0 0 "[ . 1 . 2]" 1
2280 1 76 GLN H 1 76 GLN HB3 3.630 . 3.830 3.634 3.597 3.683 . 0 0 "[ . 1 . 2]" 1
2281 1 76 GLN HB3 1 79 LEU QD 3.750 . 3.950 3.364 3.111 3.652 . 0 0 "[ . 1 . 2]" 1
2282 1 76 GLN HG3 1 79 LEU QD 4.680 . 4.880 4.407 4.085 4.926 0.046 11 0 "[ . 1 . 2]" 1
2283 1 76 GLN HA 1 79 LEU HB3 4.720 . 4.920 4.140 3.920 4.403 . 0 0 "[ . 1 . 2]" 1
2284 1 76 GLN HB2 1 77 LYS H 3.510 . 3.710 2.477 2.227 2.699 . 0 0 "[ . 1 . 2]" 1
2285 1 76 GLN HA 1 79 LEU QD 3.050 . 3.250 2.094 2.007 2.185 . 0 0 "[ . 1 . 2]" 1
2286 1 76 GLN HA 1 79 LEU MD1 3.620 . 3.820 3.189 3.038 3.364 . 0 0 "[ . 1 . 2]" 1
2287 1 76 GLN HA 1 76 GLN HB3 2.910 . 3.110 2.449 2.402 2.490 . 0 0 "[ . 1 . 2]" 1
2288 1 76 GLN H 1 76 GLN HB2 3.290 . 3.490 2.578 2.465 2.669 . 0 0 "[ . 1 . 2]" 1
2289 1 76 GLN H 1 77 LYS H 3.240 . 3.440 2.716 2.605 2.857 . 0 0 "[ . 1 . 2]" 1
2290 1 76 GLN HG3 1 77 LYS HG2 5.400 . 5.600 5.437 5.151 5.633 0.033 17 0 "[ . 1 . 2]" 1
2291 1 76 GLN HB3 1 79 LEU MD2 4.410 . 4.610 3.687 3.375 4.025 . 0 0 "[ . 1 . 2]" 1
2292 1 76 GLN H 1 76 GLN HG2 3.350 . 3.550 2.634 2.004 3.094 . 0 0 "[ . 1 . 2]" 1
2293 1 76 GLN HE22 1 76 GLN HG3 3.900 . 4.100 3.483 3.415 3.680 . 0 0 "[ . 1 . 2]" 1
2294 1 76 GLN HB2 1 77 LYS HE3 4.830 . 5.030 4.893 3.925 5.144 0.114 15 0 "[ . 1 . 2]" 1
2295 1 76 GLN HA 1 76 GLN HG2 3.680 . 3.880 2.565 2.245 2.850 . 0 0 "[ . 1 . 2]" 1
2296 1 76 GLN HB3 1 77 LYS H 3.820 . 4.020 3.581 3.376 3.761 . 0 0 "[ . 1 . 2]" 1
2297 1 76 GLN HG3 1 77 LYS H 4.220 . 4.420 4.279 3.962 4.460 0.040 13 0 "[ . 1 . 2]" 1
2298 1 76 GLN HB2 1 77 LYS HB2 5.500 . 5.700 5.638 5.356 5.762 0.062 3 0 "[ . 1 . 2]" 1
2299 1 77 LYS HG3 1 78 GLU H 4.190 . 4.390 3.056 2.584 3.503 . 0 0 "[ . 1 . 2]" 1
2300 1 77 LYS HG2 1 79 LEU H 5.410 . 5.610 5.387 5.110 5.579 . 0 0 "[ . 1 . 2]" 1
2301 1 77 LYS H 1 78 GLU H 3.310 . 3.510 2.596 2.461 2.672 . 0 0 "[ . 1 . 2]" 1
2302 1 77 LYS HB2 1 78 GLU HB2 5.430 . 5.630 5.488 5.200 5.636 0.006 18 0 "[ . 1 . 2]" 1
2303 1 77 LYS HA 1 77 LYS QE 3.920 . 4.120 3.977 3.696 4.167 0.047 3 0 "[ . 1 . 2]" 1
2304 1 77 LYS HG2 1 78 GLU HB2 4.500 . 4.700 4.669 4.324 4.773 0.073 17 0 "[ . 1 . 2]" 1
2305 1 77 LYS HB3 1 77 LYS HD3 3.810 . 4.010 2.769 2.463 3.049 . 0 0 "[ . 1 . 2]" 1
2306 1 77 LYS H 1 77 LYS HD2 3.790 . 3.990 4.017 3.890 4.069 0.079 11 0 "[ . 1 . 2]" 1
2307 1 77 LYS HB3 1 80 GLU QB 5.500 . 5.700 4.728 3.808 5.783 0.083 14 0 "[ . 1 . 2]" 1
2308 1 77 LYS H 1 77 LYS HD3 4.110 . 4.310 4.417 4.355 4.468 0.158 8 0 "[ . 1 . 2]" 1
2309 1 77 LYS HA 1 77 LYS HG2 3.800 . 4.000 3.569 3.471 3.644 . 0 0 "[ . 1 . 2]" 1
2310 1 77 LYS HB3 1 78 GLU H 4.470 . 4.670 4.271 4.189 4.374 . 0 0 "[ . 1 . 2]" 1
2311 1 77 LYS HB2 1 77 LYS HD3 3.400 . 3.600 2.669 2.472 2.869 . 0 0 "[ . 1 . 2]" 1
2312 1 77 LYS HG3 1 78 GLU HB2 4.300 . 4.500 4.252 3.703 4.561 0.061 4 0 "[ . 1 . 2]" 1
2313 1 77 LYS HA 1 80 GLU H 3.770 . 3.970 3.145 2.919 3.410 . 0 0 "[ . 1 . 2]" 1
2314 1 77 LYS HB2 1 77 LYS QE 4.390 . 4.590 3.386 2.837 3.939 . 0 0 "[ . 1 . 2]" 1
2315 1 77 LYS QE 1 77 LYS HG2 3.610 . 3.810 2.534 2.278 3.224 . 0 0 "[ . 1 . 2]" 1
2316 1 77 LYS HG3 1 78 GLU HA 4.560 . 4.760 4.342 3.958 4.718 . 0 0 "[ . 1 . 2]" 1
2317 1 77 LYS H 1 77 LYS HG2 3.760 . 3.960 1.739 1.709 1.786 0.091 7 0 "[ . 1 . 2]" 1
2318 1 77 LYS H 1 77 LYS HB3 3.120 . 3.320 2.910 2.750 3.151 . 0 0 "[ . 1 . 2]" 1
2319 1 77 LYS H 1 77 LYS HG3 3.390 . 3.590 3.112 2.836 3.316 . 0 0 "[ . 1 . 2]" 1
2320 1 77 LYS H 1 77 LYS HB2 3.720 . 3.920 3.585 3.529 3.646 . 0 0 "[ . 1 . 2]" 1
2321 1 77 LYS HB3 1 77 LYS QE 3.730 . 3.930 2.166 1.780 2.775 0.020 8 0 "[ . 1 . 2]" 1
2322 1 78 GLU H 1 78 GLU QG 4.230 . 4.430 3.988 3.832 4.047 . 0 0 "[ . 1 . 2]" 1
2323 1 78 GLU HA 1 78 GLU QG 3.050 . 3.250 2.659 2.233 3.011 . 0 0 "[ . 1 . 2]" 1
2324 1 78 GLU HA 1 78 GLU HG2 3.500 . 3.700 3.454 2.478 3.762 0.062 18 0 "[ . 1 . 2]" 1
2325 1 78 GLU HB3 1 82 LYS HG2 4.510 . 4.710 4.723 4.441 4.827 0.117 6 0 "[ . 1 . 2]" 1
2326 1 78 GLU HB3 1 79 LEU H 3.720 . 3.920 2.315 2.189 2.588 . 0 0 "[ . 1 . 2]" 1
2327 1 78 GLU H 1 79 LEU H 3.420 . 3.620 2.670 2.563 2.775 . 0 0 "[ . 1 . 2]" 1
2328 1 78 GLU QG 1 79 LEU H 4.600 . 4.800 3.824 3.589 4.247 . 0 0 "[ . 1 . 2]" 1
2329 1 78 GLU HA 1 78 GLU HB2 2.670 . 2.870 2.588 2.489 2.782 . 0 0 "[ . 1 . 2]" 1
2330 1 78 GLU QG 1 82 LYS HG3 5.340 . 5.540 4.518 3.643 5.542 0.002 4 0 "[ . 1 . 2]" 1
2331 1 78 GLU H 1 78 GLU HB3 3.340 . 3.540 2.678 2.516 3.011 . 0 0 "[ . 1 . 2]" 1
2332 1 78 GLU HA 1 81 GLU HG2 3.730 . 3.930 2.377 1.928 2.771 . 0 0 "[ . 1 . 2]" 1
2333 1 78 GLU H 1 78 GLU HB2 3.140 . 3.340 2.286 2.142 2.428 . 0 0 "[ . 1 . 2]" 1
2334 1 78 GLU HA 1 78 GLU HG3 3.500 . 3.700 2.921 2.316 3.745 0.045 10 0 "[ . 1 . 2]" 1
2335 1 78 GLU HB2 1 79 LEU HB3 5.500 . 5.700 5.611 5.465 5.730 0.030 20 0 "[ . 1 . 2]" 1
2336 1 78 GLU HB2 1 79 LEU H 3.720 . 3.920 3.542 3.372 3.710 . 0 0 "[ . 1 . 2]" 1
2337 1 78 GLU QG 1 82 LYS QB 4.150 . 4.350 3.614 3.157 4.413 0.063 8 0 "[ . 1 . 2]" 1
2338 1 78 GLU H 1 79 LEU HB3 5.270 . 5.470 5.226 5.083 5.339 . 0 0 "[ . 1 . 2]" 1
2339 1 78 GLU H 1 81 GLU HG2 5.500 . 5.700 4.408 4.232 4.754 . 0 0 "[ . 1 . 2]" 1
2340 1 79 LEU QD 2 18 ASP QB 4.590 . 4.790 4.481 3.855 4.831 0.041 17 0 "[ . 1 . 2]" 1
2341 1 79 LEU HG 2 14 LEU QD 3.610 . 3.810 3.497 3.116 3.940 0.130 19 0 "[ . 1 . 2]" 1
2342 1 79 LEU QD 1 80 GLU QG 3.800 . 4.000 2.838 1.896 3.962 . 0 0 "[ . 1 . 2]" 1
2343 1 79 LEU H 1 81 GLU H 4.640 . 4.840 4.364 4.225 4.502 . 0 0 "[ . 1 . 2]" 1
2344 1 79 LEU H 1 80 GLU H 3.070 . 3.270 2.707 2.584 2.796 . 0 0 "[ . 1 . 2]" 1
2345 1 79 LEU HA 1 79 LEU HG 4.070 . 4.270 3.738 3.707 3.786 . 0 0 "[ . 1 . 2]" 1
2346 1 79 LEU H 1 79 LEU QD 3.460 . 3.660 3.085 3.017 3.169 . 0 0 "[ . 1 . 2]" 1
2347 1 79 LEU QB 2 18 ASP QB 4.160 . 4.360 4.018 3.157 4.426 0.066 13 0 "[ . 1 . 2]" 1
2348 1 79 LEU QD 1 83 ARG QB 3.780 . 3.980 3.756 3.273 4.074 0.094 11 0 "[ . 1 . 2]" 1
2349 1 79 LEU HA 1 82 LYS HG2 3.340 . 3.540 2.452 1.992 3.269 . 0 0 "[ . 1 . 2]" 1
2350 1 79 LEU HB2 1 80 GLU H 3.930 . 4.130 3.859 3.751 3.940 . 0 0 "[ . 1 . 2]" 1
2351 1 79 LEU MD2 1 80 GLU H 4.280 . 4.480 4.098 3.954 4.175 . 0 0 "[ . 1 . 2]" 1
2352 1 79 LEU H 1 79 LEU MD1 4.190 . 4.390 3.679 3.608 3.804 . 0 0 "[ . 1 . 2]" 1
2353 1 79 LEU H 1 79 LEU HB2 3.680 . 3.880 3.656 3.637 3.676 . 0 0 "[ . 1 . 2]" 1
2354 1 79 LEU QD 1 80 GLU HA 2.930 . 3.130 2.578 2.375 2.714 . 0 0 "[ . 1 . 2]" 1
2355 1 79 LEU HB2 1 79 LEU MD1 3.360 . 3.560 2.267 2.242 2.301 . 0 0 "[ . 1 . 2]" 1
2356 1 79 LEU H 1 79 LEU HB3 3.520 . 3.720 2.662 2.542 2.779 . 0 0 "[ . 1 . 2]" 1
2357 1 79 LEU HB2 1 79 LEU QD 2.800 . 3.000 2.129 2.111 2.150 . 0 0 "[ . 1 . 2]" 1
2358 1 79 LEU HA 1 82 LYS QE 4.390 . 4.590 3.175 1.975 4.608 0.018 6 0 "[ . 1 . 2]" 1
2359 1 79 LEU QD 2 14 LEU HB3 5.220 . 5.420 4.994 4.009 5.445 0.025 16 0 "[ . 1 . 2]" 1
2360 1 79 LEU HB2 1 79 LEU MD2 3.360 . 3.560 2.584 2.540 2.620 . 0 0 "[ . 1 . 2]" 1
2361 1 79 LEU HA 1 79 LEU MD2 4.170 . 4.370 4.080 4.030 4.126 . 0 0 "[ . 1 . 2]" 1
2362 1 79 LEU HA 1 79 LEU MD1 4.170 . 4.370 3.697 3.631 3.735 . 0 0 "[ . 1 . 2]" 1
2363 1 79 LEU HG 1 80 GLU QB 3.960 . 4.160 4.118 3.747 4.235 0.075 13 0 "[ . 1 . 2]" 1
2364 1 79 LEU QD 1 80 GLU H 3.540 . 3.740 2.356 2.212 2.554 . 0 0 "[ . 1 . 2]" 1
2365 1 79 LEU HA 1 79 LEU QD 3.400 . 3.600 3.435 3.399 3.456 . 0 0 "[ . 1 . 2]" 1
2366 1 79 LEU MD1 1 80 GLU H 4.280 . 4.480 2.371 2.221 2.579 . 0 0 "[ . 1 . 2]" 1
2367 1 79 LEU H 1 79 LEU MD2 4.190 . 4.390 3.313 3.222 3.394 . 0 0 "[ . 1 . 2]" 1
2368 1 79 LEU HG 1 80 GLU QG 4.680 . 4.880 3.780 3.049 4.883 0.003 15 0 "[ . 1 . 2]" 1
2369 1 79 LEU HA 1 79 LEU HB3 2.770 . 2.970 2.414 2.388 2.463 . 0 0 "[ . 1 . 2]" 1
2370 1 79 LEU QD 2 14 LEU HG 4.510 . 4.710 3.462 2.486 3.967 . 0 0 "[ . 1 . 2]" 1
2371 1 79 LEU H 1 82 LYS H 4.960 . 5.160 4.789 4.659 4.895 . 0 0 "[ . 1 . 2]" 1
2372 1 79 LEU HG 1 80 GLU H 3.310 . 3.510 2.524 2.318 2.622 . 0 0 "[ . 1 . 2]" 1
2373 1 79 LEU H 1 79 LEU HG 3.660 . 3.860 2.304 2.223 2.491 . 0 0 "[ . 1 . 2]" 1
2374 1 79 LEU QD 1 81 GLU H 4.790 . 4.990 4.499 4.366 4.614 . 0 0 "[ . 1 . 2]" 1
2375 1 79 LEU QD 1 83 ARG H 5.190 . 5.390 4.702 4.488 4.861 . 0 0 "[ . 1 . 2]" 1
2376 1 80 GLU HA 1 80 GLU HG2 4.010 . 4.210 3.119 2.341 3.846 . 0 0 "[ . 1 . 2]" 1
2377 1 80 GLU H 1 80 GLU HG3 3.730 . 3.930 3.401 2.420 4.086 0.156 15 0 "[ . 1 . 2]" 1
2378 1 80 GLU H 1 80 GLU QB 2.850 . 3.050 2.382 1.853 2.729 . 0 0 "[ . 1 . 2]" 1
2379 1 80 GLU H 1 80 GLU QG 3.210 . 3.410 2.483 2.058 3.444 0.034 15 0 "[ . 1 . 2]" 1
2380 1 80 GLU H 1 80 GLU HG2 3.730 . 3.930 2.713 2.093 3.709 . 0 0 "[ . 1 . 2]" 1
2381 1 80 GLU HA 1 80 GLU HG3 4.010 . 4.210 3.584 2.883 3.797 . 0 0 "[ . 1 . 2]" 1
2382 1 80 GLU HA 1 80 GLU QG 3.400 . 3.600 2.891 2.297 3.370 . 0 0 "[ . 1 . 2]" 1
2383 1 80 GLU QB 1 81 GLU H 3.390 . 3.590 2.968 2.201 3.603 0.013 6 0 "[ . 1 . 2]" 1
2384 1 81 GLU H 1 81 GLU HG2 3.820 . 4.020 2.173 2.012 2.356 . 0 0 "[ . 1 . 2]" 1
2385 1 81 GLU HG3 1 82 LYS H 2.680 . 2.880 2.493 2.064 2.783 . 0 0 "[ . 1 . 2]" 1
2386 1 81 GLU HG2 1 82 LYS H 3.340 . 3.540 2.890 2.700 3.075 . 0 0 "[ . 1 . 2]" 1
2387 1 81 GLU H 1 81 GLU QB 3.310 . 3.510 2.646 2.542 2.720 . 0 0 "[ . 1 . 2]" 1
2388 1 81 GLU HG3 1 82 LYS HG3 4.910 . 5.110 4.625 4.101 5.144 0.034 1 0 "[ . 1 . 2]" 1
2389 1 81 GLU HG2 1 82 LYS QB 4.240 . 4.440 4.343 3.982 4.457 0.017 1 0 "[ . 1 . 2]" 1
2390 1 81 GLU H 1 82 LYS H 3.810 . 4.010 2.639 2.552 2.763 . 0 0 "[ . 1 . 2]" 1
2391 1 81 GLU QG 2 11 LEU QD 4.500 . 4.700 4.286 3.730 4.763 0.063 14 0 "[ . 1 . 2]" 1
2392 1 81 GLU HA 1 84 ARG H 3.680 . 3.880 3.313 2.931 3.735 . 0 0 "[ . 1 . 2]" 1
2393 1 81 GLU QB 1 84 ARG H 4.990 . 5.190 4.838 4.485 5.133 . 0 0 "[ . 1 . 2]" 1
2394 1 81 GLU HA 1 84 ARG QB 3.670 . 3.870 2.695 2.079 3.546 . 0 0 "[ . 1 . 2]" 1
2395 1 82 LYS H 1 82 LYS HG3 4.400 . 4.600 2.406 2.176 2.668 . 0 0 "[ . 1 . 2]" 1
2396 1 82 LYS QB 1 82 LYS QE 4.040 . 4.240 3.427 1.918 3.774 . 0 0 "[ . 1 . 2]" 1
2397 1 82 LYS QE 1 82 LYS HG3 3.560 . 3.760 2.528 2.218 3.493 . 0 0 "[ . 1 . 2]" 1
2398 1 82 LYS QE 1 83 ARG H 4.710 . 4.910 3.254 2.707 4.611 . 0 0 "[ . 1 . 2]" 1
2399 1 82 LYS HG3 1 83 ARG H 3.520 . 3.720 2.378 1.924 2.825 . 0 0 "[ . 1 . 2]" 1
2400 1 82 LYS HA 1 87 LEU QD 4.140 . 4.340 3.685 2.140 4.379 0.039 18 0 "[ . 1 . 2]" 1
2401 1 82 LYS QG 2 15 LEU QD 3.750 . 3.950 3.876 3.563 4.062 0.112 6 0 "[ . 1 . 2]" 1
2402 1 82 LYS QE 1 83 ARG QB 4.170 . 4.370 2.706 1.882 4.480 0.110 4 0 "[ . 1 . 2]" 1
2403 1 82 LYS H 1 83 ARG H 4.050 . 4.250 2.589 2.454 2.785 . 0 0 "[ . 1 . 2]" 1
2404 1 82 LYS QD 1 83 ARG H 3.460 . 3.660 3.008 2.242 3.697 0.037 7 0 "[ . 1 . 2]" 1
2405 1 82 LYS HA 1 82 LYS QE 4.960 . 5.160 4.877 3.704 5.282 0.122 8 0 "[ . 1 . 2]" 1
2406 1 82 LYS H 1 82 LYS QD 5.040 . 5.240 4.030 3.537 4.324 . 0 0 "[ . 1 . 2]" 1
2407 1 82 LYS HA 1 82 LYS HG3 3.670 . 3.870 3.689 3.559 3.810 . 0 0 "[ . 1 . 2]" 1
2408 1 82 LYS QB 2 15 LEU QD 4.950 . 5.150 3.695 2.993 4.357 . 0 0 "[ . 1 . 2]" 1
2409 1 82 LYS QG 2 11 LEU QD 3.430 . 3.630 2.706 2.007 3.569 . 0 0 "[ . 1 . 2]" 1
2410 1 82 LYS QB 1 82 LYS QD 2.620 . 2.820 2.256 2.048 2.856 0.036 6 0 "[ . 1 . 2]" 1
2411 1 82 LYS QD 2 15 LEU QD 3.760 . 3.960 2.285 1.830 3.328 . 0 0 "[ . 1 . 2]" 1
2412 1 82 LYS QB 1 87 LEU QD 4.180 . 4.380 3.436 2.076 4.425 0.045 16 0 "[ . 1 . 2]" 1
2413 1 82 LYS H 1 82 LYS QB 3.730 . 3.930 2.543 2.385 2.667 . 0 0 "[ . 1 . 2]" 1
2414 1 82 LYS QE 2 15 LEU QD 3.580 . 3.780 2.474 1.929 3.396 . 0 0 "[ . 1 . 2]" 1
2415 1 79 LEU HA 1 82 LYS H 4.500 . 4.700 3.555 3.367 3.706 . 0 0 "[ . 1 . 2]" 1
2416 1 82 LYS HG3 1 83 ARG HA 4.320 . 4.520 4.281 3.804 4.568 0.048 5 0 "[ . 1 . 2]" 1
2417 1 82 LYS QD 1 83 ARG HA 3.200 . 3.400 2.939 2.352 3.432 0.032 7 0 "[ . 1 . 2]" 1
2418 1 82 LYS H 1 82 LYS QE 4.940 . 5.140 4.480 4.155 4.913 . 0 0 "[ . 1 . 2]" 1
2419 1 82 LYS QE 1 83 ARG HA 5.120 . 5.320 3.384 2.000 4.916 . 0 0 "[ . 1 . 2]" 1
2420 1 83 ARG HA 1 83 ARG QD 4.180 . 4.380 2.736 1.993 4.200 . 0 0 "[ . 1 . 2]" 1
2421 1 83 ARG H 1 83 ARG QB 2.400 . 2.600 2.230 2.024 2.489 . 0 0 "[ . 1 . 2]" 1
2422 1 83 ARG HA 1 83 ARG QG 3.250 . 3.450 2.771 2.338 3.206 . 0 0 "[ . 1 . 2]" 1
2423 1 83 ARG QD 2 15 LEU QD 5.100 . 5.300 4.557 2.452 5.419 0.119 7 0 "[ . 1 . 2]" 1
2424 1 83 ARG QB 2 15 LEU QD 4.760 . 4.960 4.743 3.871 5.093 0.133 11 0 "[ . 1 . 2]" 1
2425 1 80 GLU HA 1 83 ARG H 4.500 . 4.700 3.692 3.290 4.209 . 0 0 "[ . 1 . 2]" 1
2426 1 83 ARG QB 1 83 ARG QD 3.200 . 3.400 2.388 2.011 2.858 . 0 0 "[ . 1 . 2]" 1
2427 1 83 ARG H 1 83 ARG QD 4.510 . 4.710 4.407 4.074 4.726 0.016 3 0 "[ . 1 . 2]" 1
2428 1 84 ARG HA 1 84 ARG QD 4.530 . 4.730 2.996 1.856 4.198 . 0 0 "[ . 1 . 2]" 1
2429 1 84 ARG HA 1 85 SER QB 4.590 . 4.790 4.539 4.048 4.871 0.081 8 0 "[ . 1 . 2]" 1
2430 1 84 ARG HA 1 85 SER HA 4.870 . 5.070 4.719 4.336 5.104 0.034 10 0 "[ . 1 . 2]" 1
2431 1 84 ARG QB 1 84 ARG QD 3.220 . 3.420 2.389 1.981 2.844 . 0 0 "[ . 1 . 2]" 1
2432 1 84 ARG QD 1 85 SER HA 5.240 . 5.440 5.299 4.126 5.609 0.169 10 0 "[ . 1 . 2]" 1
2433 1 84 ARG QB 1 85 SER HA 4.660 . 4.860 4.541 4.283 4.759 . 0 0 "[ . 1 . 2]" 1
2434 1 84 ARG H 1 84 ARG QB 2.520 . 2.720 2.261 2.065 2.431 . 0 0 "[ . 1 . 2]" 1
2435 1 84 ARG QG 1 85 SER QB 4.050 . 4.250 3.063 2.303 4.378 0.128 17 0 "[ . 1 . 2]" 1
2436 1 84 ARG QB 1 85 SER H 3.090 . 3.290 2.388 2.125 3.049 . 0 0 "[ . 1 . 2]" 1
2437 1 84 ARG QB 1 85 SER QB 4.180 . 4.380 3.820 3.398 4.463 0.083 10 0 "[ . 1 . 2]" 1
2438 1 84 ARG QD 1 85 SER H 4.350 . 4.550 4.238 3.030 4.632 0.082 8 0 "[ . 1 . 2]" 1
2439 1 84 ARG HA 1 84 ARG QG 3.230 . 3.430 2.732 2.410 3.151 . 0 0 "[ . 1 . 2]" 1
2440 1 84 ARG QD 1 85 SER QB 5.000 . 5.200 3.881 2.161 5.206 0.006 10 0 "[ . 1 . 2]" 1
2441 1 85 SER QB 1 86 ARG H 3.970 . 4.170 3.746 3.036 4.009 . 0 0 "[ . 1 . 2]" 1
2442 1 85 SER H 1 86 ARG HB3 4.340 . 4.540 4.268 4.014 4.565 0.025 19 0 "[ . 1 . 2]" 1
2443 1 82 LYS HA 1 85 SER H 4.500 . 4.700 4.057 3.135 4.564 . 0 0 "[ . 1 . 2]" 1
2444 1 85 SER H 1 85 SER QB 3.120 . 3.320 3.085 2.817 3.390 0.070 13 0 "[ . 1 . 2]" 1
2445 1 85 SER HA 1 87 LEU H 3.910 . 4.110 3.596 3.192 4.122 0.012 19 0 "[ . 1 . 2]" 1
2446 1 85 SER HA 1 85 SER QB 2.530 . 2.730 2.342 2.135 2.454 . 0 0 "[ . 1 . 2]" 1
2447 1 85 SER HA 1 86 ARG H 2.780 . 2.980 2.382 2.095 3.268 0.288 19 0 "[ . 1 . 2]" 1
2448 1 85 SER QB 1 87 LEU H 5.210 . 5.410 4.808 3.728 5.469 0.059 4 0 "[ . 1 . 2]" 1
2449 1 86 ARG HB2 1 87 LEU H 4.170 . 4.370 4.110 3.919 4.295 . 0 0 "[ . 1 . 2]" 1
2450 1 86 ARG QD 2 11 LEU QD 3.380 . 3.580 2.904 1.824 3.767 0.187 10 0 "[ . 1 . 2]" 1
2451 1 86 ARG HB3 1 86 ARG HG2 2.770 . 2.970 2.350 2.183 2.475 . 0 0 "[ . 1 . 2]" 1
2452 1 86 ARG HG2 1 87 LEU QD 3.320 . 3.520 2.980 2.029 3.613 0.093 15 0 "[ . 1 . 2]" 1
2453 1 86 ARG QB 2 11 LEU QD 4.840 . 5.040 4.768 3.979 5.151 0.111 8 0 "[ . 1 . 2]" 1
2454 1 86 ARG HG3 1 87 LEU QD 3.150 . 3.350 2.219 1.855 2.942 . 0 0 "[ . 1 . 2]" 1
2455 1 86 ARG H 1 86 ARG HG2 3.460 . 3.660 2.770 2.308 3.497 . 0 0 "[ . 1 . 2]" 1
2456 1 86 ARG QD 1 87 LEU H 4.650 . 4.850 4.468 4.047 4.853 0.003 17 0 "[ . 1 . 2]" 1
2457 1 86 ARG HG3 1 87 LEU H 2.690 . 2.890 2.760 2.253 2.950 0.060 10 0 "[ . 1 . 2]" 1
2458 1 86 ARG H 1 86 ARG HB3 3.080 . 3.280 3.114 2.682 3.461 0.181 2 0 "[ . 1 . 2]" 1
2459 1 86 ARG QD 1 87 LEU QD 3.480 . 3.680 3.085 2.328 3.676 . 0 0 "[ . 1 . 2]" 1
2460 1 86 ARG H 1 86 ARG QD 4.410 . 4.610 4.420 3.991 4.771 0.161 15 0 "[ . 1 . 2]" 1
2461 1 86 ARG HB2 1 86 ARG QD 3.580 . 3.780 2.617 2.183 3.075 . 0 0 "[ . 1 . 2]" 1
2462 1 86 ARG QD 2 11 LEU MD1 4.080 . 4.280 3.246 1.902 4.150 . 0 0 "[ . 1 . 2]" 1
2463 1 86 ARG H 1 86 ARG HG3 3.420 . 3.620 3.368 2.589 3.747 0.127 8 0 "[ . 1 . 2]" 1
2464 1 86 ARG HB3 1 87 LEU H 4.020 . 4.220 4.033 3.751 4.259 0.039 17 0 "[ . 1 . 2]" 1
2465 1 86 ARG H 1 86 ARG HB2 3.940 . 4.140 3.923 3.745 4.104 . 0 0 "[ . 1 . 2]" 1
2466 1 86 ARG H 1 87 LEU H 3.140 . 3.340 1.917 1.749 2.377 0.051 6 0 "[ . 1 . 2]" 1
2467 1 87 LEU H 1 87 LEU QD 3.650 . 3.850 2.679 1.905 3.409 . 0 0 "[ . 1 . 2]" 1
2468 1 87 LEU HA 1 87 LEU QD 2.750 . 2.950 2.355 2.002 2.964 0.014 14 0 "[ . 1 . 2]" 1
2469 1 87 LEU HA 1 87 LEU HG 3.810 . 4.010 3.109 2.529 3.789 . 0 0 "[ . 1 . 2]" 1
2470 1 87 LEU HA 1 87 LEU MD2 4.190 . 4.390 2.935 2.078 3.841 . 0 0 "[ . 1 . 2]" 1
2471 1 87 LEU HA 1 87 LEU MD1 4.190 . 4.390 3.096 2.052 3.911 . 0 0 "[ . 1 . 2]" 1
2472 1 87 LEU H 1 87 LEU MD1 4.270 . 4.470 3.250 2.035 4.168 . 0 0 "[ . 1 . 2]" 1
2473 1 87 LEU H 1 87 LEU MD2 4.270 . 4.470 3.447 1.916 4.484 0.014 4 0 "[ . 1 . 2]" 1
2474 1 87 LEU H 1 87 LEU QB 3.250 . 3.450 2.431 2.239 2.663 . 0 0 "[ . 1 . 2]" 1
2475 2 5 HIS HA 2 6 TYR H 3.240 . 3.440 2.841 2.032 3.476 0.036 2 0 "[ . 1 . 2]" 1
2476 2 6 TYR H 2 6 TYR HB3 4.200 . 4.400 3.523 2.646 4.150 . 0 0 "[ . 1 . 2]" 1
2477 2 6 TYR QB 2 7 GLY H 3.940 . 4.140 3.138 1.787 3.945 0.013 9 0 "[ . 1 . 2]" 1
2478 2 6 TYR HB3 2 7 GLY H 4.730 . 4.930 3.623 1.800 4.431 . 0 0 "[ . 1 . 2]" 1
2479 2 6 TYR HA 2 9 GLN H 4.550 . 4.750 4.191 3.124 4.892 0.142 7 0 "[ . 1 . 2]" 1
2480 2 6 TYR H 2 9 GLN HA 5.500 . 5.700 5.284 4.496 5.795 0.095 18 0 "[ . 1 . 2]" 1
2481 2 6 TYR H 2 6 TYR QB 3.670 . 3.870 2.914 2.306 3.385 . 0 0 "[ . 1 . 2]" 1
2482 2 6 TYR H 2 6 TYR HB2 4.200 . 4.400 3.251 2.335 4.023 . 0 0 "[ . 1 . 2]" 1
2483 2 6 TYR HA 2 7 GLY H 3.150 . 3.350 2.628 1.971 3.433 0.083 20 0 "[ . 1 . 2]" 1
2484 2 6 TYR HA 2 8 ASN H 4.960 . 5.160 4.264 3.169 5.237 0.077 17 0 "[ . 1 . 2]" 1
2485 2 6 TYR HB2 2 7 GLY H 4.730 . 4.930 3.760 1.814 4.445 . 0 0 "[ . 1 . 2]" 1
2486 2 7 GLY H 2 9 GLN HA 5.500 . 5.700 5.291 4.185 5.742 0.042 7 0 "[ . 1 . 2]" 1
2487 2 7 GLY QA 2 9 GLN H 5.000 . 5.200 3.890 3.358 4.723 . 0 0 "[ . 1 . 2]" 1
2488 2 7 GLY QA 2 8 ASN H 3.470 . 3.670 2.454 2.112 2.772 . 0 0 "[ . 1 . 2]" 1
2489 2 8 ASN HA 2 9 GLN HE22 5.500 . 5.700 5.278 4.552 5.798 0.098 18 0 "[ . 1 . 2]" 1
2490 2 8 ASN H 2 8 ASN HB3 4.200 . 4.400 3.455 2.373 4.120 . 0 0 "[ . 1 . 2]" 1
2491 2 8 ASN HA 2 9 GLN QE 4.820 . 5.020 4.478 3.551 4.929 . 0 0 "[ . 1 . 2]" 1
2492 2 8 ASN HA 2 9 GLN HE21 5.500 . 5.700 5.067 3.673 5.805 0.105 6 0 "[ . 1 . 2]" 1
2493 2 8 ASN HB3 2 9 GLN H 5.100 . 5.300 4.320 3.552 4.594 . 0 0 "[ . 1 . 2]" 1
2494 2 8 ASN HA 2 11 LEU H 3.720 . 3.920 3.594 3.107 4.027 0.107 16 0 "[ . 1 . 2]" 1
2495 2 8 ASN HA 2 8 ASN HD22 4.750 . 4.950 4.593 3.589 5.222 0.272 9 0 "[ . 1 . 2]" 1
2496 2 8 ASN HA 2 10 THR H 3.290 . 3.490 3.262 2.837 3.557 0.067 18 0 "[ . 1 . 2]" 1
2497 2 8 ASN QB 2 10 THR H 5.340 . 5.540 4.519 3.909 5.019 . 0 0 "[ . 1 . 2]" 1
2498 2 8 ASN HB2 2 9 GLN H 5.100 . 5.300 4.342 3.905 4.644 . 0 0 "[ . 1 . 2]" 1
2499 2 8 ASN QB 2 9 GLN H 4.320 . 4.520 3.837 3.402 4.041 . 0 0 "[ . 1 . 2]" 1
2500 2 8 ASN HA 2 9 GLN H 3.020 . 3.220 2.694 2.149 3.201 . 0 0 "[ . 1 . 2]" 1
2501 2 8 ASN HA 2 8 ASN QD 4.060 . 4.260 3.694 1.985 4.207 . 0 0 "[ . 1 . 2]" 1
2502 2 8 ASN H 2 8 ASN QB 3.620 . 3.820 2.757 2.242 3.260 . 0 0 "[ . 1 . 2]" 1
2503 2 8 ASN H 2 9 GLN QG 5.220 . 5.420 4.743 3.859 5.511 0.091 7 0 "[ . 1 . 2]" 1
2504 2 8 ASN H 2 9 GLN HA 5.230 . 5.430 4.675 4.015 5.144 . 0 0 "[ . 1 . 2]" 1
2505 2 8 ASN H 2 8 ASN HB2 4.200 . 4.400 3.096 2.358 3.937 . 0 0 "[ . 1 . 2]" 1
2506 2 9 GLN H 2 9 GLN HB3 4.080 . 4.280 3.099 2.390 3.655 . 0 0 "[ . 1 . 2]" 1
2507 2 9 GLN QB 2 10 THR H 4.020 . 4.220 3.160 2.316 3.824 . 0 0 "[ . 1 . 2]" 1
2508 2 9 GLN QG 2 10 THR H 4.350 . 4.550 3.492 2.296 4.567 0.017 1 0 "[ . 1 . 2]" 1
2509 2 9 GLN H 2 9 GLN QB 3.300 . 3.500 2.541 2.250 2.800 . 0 0 "[ . 1 . 2]" 1
2510 2 9 GLN H 2 9 GLN HB2 4.080 . 4.280 3.134 2.276 3.719 . 0 0 "[ . 1 . 2]" 1
2511 2 9 GLN H 2 9 GLN QG 4.020 . 4.220 2.773 1.937 3.494 . 0 0 "[ . 1 . 2]" 1
2512 2 10 THR H 2 10 THR HB 3.680 . 3.880 2.895 2.431 3.528 . 0 0 "[ . 1 . 2]" 1
2513 2 10 THR H 2 11 LEU QB 4.920 . 5.120 4.456 4.067 4.951 . 0 0 "[ . 1 . 2]" 1
2514 2 10 THR H 2 10 THR HA 2.870 . 3.070 2.762 2.699 2.823 . 0 0 "[ . 1 . 2]" 1
2515 2 10 THR MG 2 11 LEU H 4.380 . 4.580 3.348 1.985 4.236 . 0 0 "[ . 1 . 2]" 1
2516 2 10 THR H 2 10 THR MG 3.340 . 3.540 2.617 1.906 3.625 0.085 10 0 "[ . 1 . 2]" 1
2517 2 11 LEU H 2 11 LEU QD 3.900 . 4.100 3.610 2.434 3.814 . 0 0 "[ . 1 . 2]" 1
2518 2 11 LEU H 2 11 LEU HA 2.850 . 3.050 2.805 2.748 2.863 . 0 0 "[ . 1 . 2]" 1
2519 2 11 LEU QB 2 12 GLN H 3.370 . 3.570 2.416 2.132 2.728 . 0 0 "[ . 1 . 2]" 1
2520 2 11 LEU H 2 12 GLN QG 5.370 . 5.570 4.113 3.660 4.435 . 0 0 "[ . 1 . 2]" 1
2521 2 11 LEU QD 2 12 GLN H 4.590 . 4.790 3.667 3.109 4.027 . 0 0 "[ . 1 . 2]" 1
2522 2 11 LEU H 2 11 LEU MD1 4.490 . 4.690 4.140 3.923 4.280 . 0 0 "[ . 1 . 2]" 1
2523 2 11 LEU H 2 11 LEU MD2 4.490 . 4.690 4.058 2.458 4.296 . 0 0 "[ . 1 . 2]" 1
2524 2 11 LEU H 2 11 LEU QB 2.700 . 2.900 2.248 2.174 2.716 . 0 0 "[ . 1 . 2]" 1
2525 2 12 GLN HA 2 13 ASP H 3.480 . 3.680 3.520 3.431 3.559 . 0 0 "[ . 1 . 2]" 1
2526 2 12 GLN H 2 12 GLN QG 3.570 . 3.770 2.133 1.928 2.342 . 0 0 "[ . 1 . 2]" 1
2527 2 12 GLN QG 2 14 LEU H 5.360 . 5.560 4.911 4.422 5.607 0.047 1 0 "[ . 1 . 2]" 1
2528 2 12 GLN QG 2 13 ASP H 4.380 . 4.580 2.811 2.080 4.126 . 0 0 "[ . 1 . 2]" 1
2529 2 12 GLN QB 2 13 ASP H 4.340 . 4.540 3.202 2.236 3.642 . 0 0 "[ . 1 . 2]" 1
2530 2 12 GLN H 2 12 GLN QB 3.620 . 3.820 2.588 2.334 2.758 . 0 0 "[ . 1 . 2]" 1
2531 2 13 ASP QB 2 14 LEU H 3.330 . 3.530 2.432 2.184 2.698 . 0 0 "[ . 1 . 2]" 1
2532 2 13 ASP QB 2 15 LEU H 5.010 . 5.210 4.530 4.314 4.834 . 0 0 "[ . 1 . 2]" 1
2533 2 13 ASP QB 2 16 THR H 5.420 . 5.620 4.939 4.695 5.258 . 0 0 "[ . 1 . 2]" 1
2534 2 13 ASP H 2 13 ASP QB 2.810 . 3.010 2.283 2.214 2.499 . 0 0 "[ . 1 . 2]" 1
2535 2 13 ASP HA 2 14 LEU H 3.490 . 3.690 3.521 3.484 3.570 . 0 0 "[ . 1 . 2]" 1
2536 2 13 ASP H 2 14 LEU H 3.480 . 3.680 2.653 2.504 2.767 . 0 0 "[ . 1 . 2]" 1
2537 2 14 LEU H 2 14 LEU HB3 3.270 . 3.470 2.580 2.335 3.305 . 0 0 "[ . 1 . 2]" 1
2538 2 14 LEU H 2 15 LEU H 3.950 . 4.150 2.584 2.464 2.727 . 0 0 "[ . 1 . 2]" 1
2539 2 14 LEU HB3 2 15 LEU H 2.790 . 2.990 2.897 2.467 3.112 0.122 2 0 "[ . 1 . 2]" 1
2540 2 14 LEU H 2 14 LEU MD1 4.340 . 4.540 4.150 4.028 4.345 . 0 0 "[ . 1 . 2]" 1
2541 2 14 LEU H 2 14 LEU MD2 4.340 . 4.540 3.942 2.783 4.212 . 0 0 "[ . 1 . 2]" 1
2542 2 14 LEU H 2 14 LEU HB2 2.770 . 2.970 2.420 2.046 2.588 . 0 0 "[ . 1 . 2]" 1
2543 2 15 LEU QD 2 16 THR H 4.270 . 4.470 3.900 3.213 4.131 . 0 0 "[ . 1 . 2]" 1
2544 2 15 LEU MD2 2 16 THR H 5.240 . 5.440 4.400 4.161 4.680 . 0 0 "[ . 1 . 2]" 1
2545 2 15 LEU QB 2 17 SER H 5.340 . 5.540 4.784 4.565 4.947 . 0 0 "[ . 1 . 2]" 1
2546 2 15 LEU H 2 15 LEU HB3 3.030 . 3.230 2.528 2.446 2.661 . 0 0 "[ . 1 . 2]" 1
2547 2 15 LEU HB3 2 16 THR H 3.910 . 4.110 2.658 2.441 2.864 . 0 0 "[ . 1 . 2]" 1
2548 2 15 LEU MD1 2 16 THR H 5.240 . 5.440 4.409 3.322 4.632 . 0 0 "[ . 1 . 2]" 1
2549 2 15 LEU H 2 15 LEU QD 3.790 . 3.990 3.745 3.692 3.824 . 0 0 "[ . 1 . 2]" 1
2550 2 15 LEU H 2 15 LEU HB2 3.030 . 3.230 2.564 2.492 2.679 . 0 0 "[ . 1 . 2]" 1
2551 2 15 LEU HB2 2 16 THR H 3.910 . 4.110 3.893 3.737 3.992 . 0 0 "[ . 1 . 2]" 1
2552 2 16 THR H 2 17 SER QB 5.390 . 5.590 4.655 4.264 5.025 . 0 0 "[ . 1 . 2]" 1
2553 2 16 THR H 2 16 THR MG 3.620 . 3.820 3.648 1.966 3.756 . 0 0 "[ . 1 . 2]" 1
2554 2 16 THR MG 2 17 SER H 4.950 . 5.150 3.536 2.474 3.700 . 0 0 "[ . 1 . 2]" 1
2555 2 16 THR H 2 16 THR HB 2.920 . 3.120 2.576 2.485 2.903 . 0 0 "[ . 1 . 2]" 1
2556 2 16 THR HB 2 17 SER H 4.250 . 4.450 2.684 2.425 4.344 . 0 0 "[ . 1 . 2]" 1
2557 2 16 THR H 2 17 SER H 3.730 . 3.930 2.652 2.559 2.786 . 0 0 "[ . 1 . 2]" 1
2558 2 17 SER H 2 18 ASP QB 5.210 . 5.410 4.201 4.046 4.376 . 0 0 "[ . 1 . 2]" 1
2559 2 17 SER QB 2 18 ASP H 3.930 . 4.130 2.674 2.224 3.471 . 0 0 "[ . 1 . 2]" 1
2560 2 17 SER H 2 17 SER QB 3.390 . 3.590 2.459 2.183 2.660 . 0 0 "[ . 1 . 2]" 1
2561 2 18 ASP QB 2 20 LEU H 5.370 . 5.570 4.516 4.263 4.714 . 0 0 "[ . 1 . 2]" 1
2562 2 18 ASP QB 2 19 SER H 3.710 . 3.910 2.520 2.247 3.140 . 0 0 "[ . 1 . 2]" 1
2563 2 18 ASP H 2 18 ASP QB 3.240 . 3.440 2.163 2.080 2.231 . 0 0 "[ . 1 . 2]" 1
2564 2 18 ASP HA 2 19 SER H 3.490 . 3.690 3.494 3.429 3.556 . 0 0 "[ . 1 . 2]" 1
2565 2 19 SER QB 2 20 LEU H 3.910 . 4.110 3.154 2.631 3.779 . 0 0 "[ . 1 . 2]" 1
2566 2 19 SER H 2 19 SER QB 3.330 . 3.530 2.413 2.174 2.748 . 0 0 "[ . 1 . 2]" 1
2567 2 20 LEU QB 2 21 SER H 4.280 . 4.480 2.824 2.132 3.850 . 0 0 "[ . 1 . 2]" 1
2568 2 20 LEU H 2 20 LEU HG 4.140 . 4.340 4.099 2.217 4.446 0.106 13 0 "[ . 1 . 2]" 1
2569 2 20 LEU HG 2 21 SER H 5.370 . 5.570 4.317 2.623 5.363 . 0 0 "[ . 1 . 2]" 1
2570 2 20 LEU MD1 2 21 SER H 5.500 . 5.700 4.409 2.588 5.205 . 0 0 "[ . 1 . 2]" 1
2571 2 20 LEU QD 2 21 SER H 4.500 . 4.700 3.333 2.566 4.251 . 0 0 "[ . 1 . 2]" 1
2572 2 20 LEU H 2 20 LEU MD1 5.110 . 5.310 4.027 3.064 4.239 . 0 0 "[ . 1 . 2]" 1
2573 2 20 LEU H 2 20 LEU MD2 5.110 . 5.310 4.040 3.474 4.303 . 0 0 "[ . 1 . 2]" 1
2574 2 20 LEU H 2 20 LEU HB2 3.800 . 4.000 2.645 2.245 3.790 . 0 0 "[ . 1 . 2]" 1
2575 2 20 LEU H 2 20 LEU HA 2.940 . 3.140 2.831 2.766 2.912 . 0 0 "[ . 1 . 2]" 1
2576 2 20 LEU H 2 20 LEU QD 4.220 . 4.420 3.583 2.932 3.719 . 0 0 "[ . 1 . 2]" 1
2577 2 20 LEU MD2 2 21 SER H 5.500 . 5.700 3.725 2.909 4.858 . 0 0 "[ . 1 . 2]" 1
2578 2 20 LEU H 2 20 LEU HB3 3.800 . 4.000 2.469 2.278 2.965 . 0 0 "[ . 1 . 2]" 1
2579 2 21 SER H 2 21 SER QB 3.580 . 3.780 2.378 2.170 2.772 . 0 0 "[ . 1 . 2]" 1
2580 2 22 HIS HA 2 23 SER H 3.410 . 3.610 3.336 2.318 3.569 . 0 0 "[ . 1 . 2]" 1
2581 2 22 HIS H 2 23 SER HA 5.500 . 5.700 5.259 4.564 5.684 . 0 0 "[ . 1 . 2]" 1
2582 2 37 LEU H 2 37 LEU QB 3.710 . 3.910 2.581 2.391 2.989 . 0 0 "[ . 1 . 2]" 1
2583 2 37 LEU H 2 37 LEU HG 3.570 . 3.770 2.756 2.111 3.700 . 0 0 "[ . 1 . 2]" 1
2584 2 37 LEU HG 2 38 GLU H 4.270 . 4.470 3.735 1.990 4.500 0.030 2 0 "[ . 1 . 2]" 1
2585 2 38 GLU HA 2 39 CYS H 3.540 . 3.740 3.391 3.277 3.515 . 0 0 "[ . 1 . 2]" 1
2586 2 38 GLU HB2 2 39 CYS H 4.710 . 4.910 3.959 2.894 4.286 . 0 0 "[ . 1 . 2]" 1
2587 2 38 GLU HB3 2 39 CYS H 4.710 . 4.910 4.346 4.076 4.564 . 0 0 "[ . 1 . 2]" 1
2588 2 38 GLU H 2 38 GLU QB 3.540 . 3.740 2.678 2.322 3.008 . 0 0 "[ . 1 . 2]" 1
2589 2 38 GLU H 2 38 GLU QG 4.430 . 4.630 2.389 1.739 3.208 0.061 13 0 "[ . 1 . 2]" 1
2590 2 38 GLU QB 2 39 CYS H 4.070 . 4.270 3.650 2.837 3.920 . 0 0 "[ . 1 . 2]" 1
2591 2 38 GLU H 2 39 CYS H 4.200 . 4.400 2.673 2.325 3.016 . 0 0 "[ . 1 . 2]" 1
2592 2 39 CYS QB 2 40 ASP H 3.940 . 4.140 2.534 2.098 3.713 . 0 0 "[ . 1 . 2]" 1
2593 2 39 CYS H 2 40 ASP H 4.530 . 4.730 2.811 2.408 3.330 . 0 0 "[ . 1 . 2]" 1
2594 2 39 CYS H 2 39 CYS QB 3.430 . 3.630 2.426 2.213 2.743 . 0 0 "[ . 1 . 2]" 1
2595 2 40 ASP QB 2 41 MET H 4.030 . 4.230 3.813 3.325 4.025 . 0 0 "[ . 1 . 2]" 1
2596 2 40 ASP H 2 40 ASP QB 3.350 . 3.550 2.802 2.465 3.397 . 0 0 "[ . 1 . 2]" 1
2597 2 41 MET HA 2 43 SER H 4.500 . 4.700 4.641 4.448 4.780 0.080 19 0 "[ . 1 . 2]" 1
2598 2 41 MET QG 2 42 GLU H 5.500 . 5.700 3.529 2.266 4.464 . 0 0 "[ . 1 . 2]" 1
2599 2 41 MET QB 2 42 GLU H 3.300 . 3.500 3.215 2.283 3.632 0.132 8 0 "[ . 1 . 2]" 1
2600 2 41 MET H 2 41 MET QG 4.100 . 4.300 2.984 1.963 4.046 . 0 0 "[ . 1 . 2]" 1
2601 2 41 MET H 2 41 MET QB 3.390 . 3.590 2.548 2.265 2.950 . 0 0 "[ . 1 . 2]" 1
2602 2 41 MET HA 2 42 GLU H 4.000 . 4.200 3.384 3.203 3.524 . 0 0 "[ . 1 . 2]" 1
2603 2 42 GLU H 2 42 GLU HG2 5.310 . 5.510 3.393 2.046 4.615 . 0 0 "[ . 1 . 2]" 1
2604 2 42 GLU HG2 2 43 SER H 5.430 . 5.630 4.474 3.394 5.166 . 0 0 "[ . 1 . 2]" 1
2605 2 42 GLU QG 2 43 SER H 4.690 . 4.890 3.977 2.839 4.472 . 0 0 "[ . 1 . 2]" 1
2606 2 42 GLU QB 2 43 SER H 3.670 . 3.870 2.345 1.805 2.889 . 0 0 "[ . 1 . 2]" 1
2607 2 42 GLU HG3 2 43 SER H 5.430 . 5.630 4.571 2.896 5.148 . 0 0 "[ . 1 . 2]" 1
2608 2 42 GLU H 2 42 GLU QB 2.990 . 3.190 2.580 2.243 3.147 . 0 0 "[ . 1 . 2]" 1
2609 2 42 GLU HA 2 43 SER H 4.000 . 4.200 3.572 3.452 3.615 . 0 0 "[ . 1 . 2]" 1
2610 2 42 GLU H 2 43 SER H 3.660 . 3.860 3.506 2.878 3.967 0.107 16 0 "[ . 1 . 2]" 1
2611 2 42 GLU H 2 42 GLU QG 4.590 . 4.790 2.856 2.035 4.052 . 0 0 "[ . 1 . 2]" 1
2612 2 42 GLU H 2 42 GLU HG3 5.310 . 5.510 3.460 2.249 4.838 . 0 0 "[ . 1 . 2]" 1
2613 2 43 SER H 2 44 ILE H 3.560 . 3.760 2.545 2.433 2.717 . 0 0 "[ . 1 . 2]" 1
2614 2 43 SER HA 2 44 ILE H 4.000 . 4.200 3.485 3.440 3.533 . 0 0 "[ . 1 . 2]" 1
2615 2 43 SER HA 2 45 ILE H 4.670 . 4.870 4.627 4.459 4.869 . 0 0 "[ . 1 . 2]" 1
2616 2 43 SER H 2 43 SER QB 3.300 . 3.500 2.547 2.301 2.681 . 0 0 "[ . 1 . 2]" 1
2617 2 43 SER H 2 44 ILE HB 4.830 . 5.030 4.760 4.551 5.043 0.013 15 0 "[ . 1 . 2]" 1
2618 2 44 ILE QG 2 45 ILE H 4.240 . 4.440 3.904 3.802 4.063 . 0 0 "[ . 1 . 2]" 1
2619 2 44 ILE HB 2 45 ILE H 3.460 . 3.660 2.473 2.313 2.679 . 0 0 "[ . 1 . 2]" 1
2620 2 44 ILE MG 2 45 ILE H 4.400 . 4.600 3.389 3.143 3.566 . 0 0 "[ . 1 . 2]" 1
2621 2 44 ILE H 2 44 ILE HB 3.380 . 3.580 2.526 2.348 2.645 . 0 0 "[ . 1 . 2]" 1
2622 2 44 ILE MD 2 45 ILE H 4.900 . 5.100 4.524 4.364 4.681 . 0 0 "[ . 1 . 2]" 1
2623 2 44 ILE H 2 44 ILE MD 4.020 . 4.220 3.391 3.013 3.656 . 0 0 "[ . 1 . 2]" 1
2624 2 44 ILE H 2 44 ILE MG 4.150 . 4.350 3.763 3.685 3.798 . 0 0 "[ . 1 . 2]" 1
2625 2 44 ILE H 2 44 ILE QG 3.640 . 3.840 2.096 1.922 2.250 . 0 0 "[ . 1 . 2]" 1
2626 2 44 ILE H 2 45 ILE H 3.820 . 4.020 2.610 2.472 2.779 . 0 0 "[ . 1 . 2]" 1
2627 2 45 ILE H 2 45 ILE MD 5.230 . 5.430 4.342 3.460 4.570 . 0 0 "[ . 1 . 2]" 1
2628 2 45 ILE MD 2 46 ARG H 4.650 . 4.850 4.613 3.465 4.892 0.042 17 0 "[ . 1 . 2]" 1
2629 2 45 ILE H 2 46 ARG H 4.080 . 4.280 2.645 2.505 2.802 . 0 0 "[ . 1 . 2]" 1
2630 2 45 ILE MG 2 46 ARG H 5.090 . 5.290 2.444 2.142 4.171 . 0 0 "[ . 1 . 2]" 1
2631 2 45 ILE H 2 45 ILE HB 3.740 . 3.940 2.695 2.419 3.738 . 0 0 "[ . 1 . 2]" 1
2632 2 45 ILE H 2 45 ILE QG 4.440 . 4.640 3.874 2.176 4.172 . 0 0 "[ . 1 . 2]" 1
2633 2 46 ARG HB3 2 47 SER H 4.810 . 5.010 2.465 1.962 3.500 . 0 0 "[ . 1 . 2]" 1
2634 2 46 ARG HB2 2 47 SER H 4.810 . 5.010 3.536 2.234 3.934 . 0 0 "[ . 1 . 2]" 1
2635 2 46 ARG H 2 46 ARG HG3 5.140 . 5.340 4.303 2.390 4.573 . 0 0 "[ . 1 . 2]" 1
2636 2 46 ARG H 2 46 ARG QB 3.210 . 3.410 2.268 2.157 2.493 . 0 0 "[ . 1 . 2]" 1
2637 2 46 ARG H 2 46 ARG QG 4.420 . 4.620 3.779 2.231 4.041 . 0 0 "[ . 1 . 2]" 1
2638 2 46 ARG H 2 46 ARG HB2 3.850 . 4.050 2.499 2.179 2.758 . 0 0 "[ . 1 . 2]" 1
2639 2 46 ARG H 2 46 ARG HG2 5.140 . 5.340 4.283 2.251 4.665 . 0 0 "[ . 1 . 2]" 1
2640 2 46 ARG QB 2 47 SER H 3.820 . 4.020 2.328 1.951 2.582 . 0 0 "[ . 1 . 2]" 1
2641 2 46 ARG H 2 46 ARG HB3 3.850 . 4.050 2.712 2.407 3.654 . 0 0 "[ . 1 . 2]" 1
2642 2 47 SER H 2 47 SER QB 3.440 . 3.640 2.425 2.170 2.684 . 0 0 "[ . 1 . 2]" 1
2643 2 47 SER H 2 48 GLU H 4.120 . 4.320 2.789 2.623 2.948 . 0 0 "[ . 1 . 2]" 1
2644 2 47 SER QB 2 48 GLU H 4.000 . 4.200 2.793 2.350 3.549 . 0 0 "[ . 1 . 2]" 1
2645 2 48 GLU H 2 48 GLU QG 4.060 . 4.260 3.158 2.186 3.999 . 0 0 "[ . 1 . 2]" 1
2646 2 48 GLU HB3 2 49 LEU H 5.130 . 5.330 3.314 2.600 3.928 . 0 0 "[ . 1 . 2]" 1
2647 2 48 GLU H 2 48 GLU HB2 4.130 . 4.330 2.553 2.304 2.733 . 0 0 "[ . 1 . 2]" 1
2648 2 48 GLU QG 2 49 LEU H 4.710 . 4.910 3.953 3.159 4.691 . 0 0 "[ . 1 . 2]" 1
2649 2 48 GLU HB2 2 49 LEU H 5.130 . 5.330 3.349 2.423 4.192 . 0 0 "[ . 1 . 2]" 1
2650 2 48 GLU H 2 48 GLU HB3 4.130 . 4.330 3.080 2.270 3.637 . 0 0 "[ . 1 . 2]" 1
2651 2 48 GLU QB 2 49 LEU H 4.470 . 4.670 2.729 2.377 2.970 . 0 0 "[ . 1 . 2]" 1
2652 2 48 GLU H 2 49 LEU H 3.820 . 4.020 2.524 2.299 2.696 . 0 0 "[ . 1 . 2]" 1
2653 2 48 GLU H 2 48 GLU QB 3.560 . 3.760 2.347 2.165 2.535 . 0 0 "[ . 1 . 2]" 1
2654 2 49 LEU H 2 49 LEU QD 4.090 . 4.290 3.724 3.593 3.845 . 0 0 "[ . 1 . 2]" 1
2655 2 49 LEU QB 2 50 MET H 4.390 . 4.590 2.963 2.265 3.332 . 0 0 "[ . 1 . 2]" 1
2656 2 49 LEU H 2 49 LEU QB 3.160 . 3.360 2.294 2.144 2.376 . 0 0 "[ . 1 . 2]" 1
2657 2 49 LEU HG 2 50 MET H 4.720 . 4.920 4.745 3.883 4.979 0.059 9 0 "[ . 1 . 2]" 1
2658 2 49 LEU H 2 49 LEU MD2 4.850 . 5.050 4.059 3.815 4.392 . 0 0 "[ . 1 . 2]" 1
2659 2 49 LEU H 2 49 LEU MD1 4.850 . 5.050 4.359 3.953 4.523 . 0 0 "[ . 1 . 2]" 1
2660 2 50 MET H 2 50 MET HG3 5.500 . 5.700 3.534 2.628 4.782 . 0 0 "[ . 1 . 2]" 1
2661 2 50 MET H 2 50 MET QG 4.840 . 5.040 3.146 2.603 4.131 . 0 0 "[ . 1 . 2]" 1
2662 2 50 MET ME 2 51 ASP H 5.420 . 5.620 5.092 3.523 5.777 0.157 20 0 "[ . 1 . 2]" 1
2663 2 50 MET QB 2 51 ASP H 4.470 . 4.670 3.259 1.927 4.080 . 0 0 "[ . 1 . 2]" 1
2664 2 50 MET H 2 50 MET QB 3.530 . 3.730 3.297 3.043 3.490 . 0 0 "[ . 1 . 2]" 1
2665 2 50 MET H 2 50 MET HG2 5.500 . 5.700 4.020 2.794 4.945 . 0 0 "[ . 1 . 2]" 1
2666 2 50 MET H 2 50 MET HB3 4.120 . 4.320 3.570 3.371 3.750 . 0 0 "[ . 1 . 2]" 1
2667 2 50 MET HA 2 51 ASP H 3.560 . 3.760 2.304 1.905 3.516 . 0 0 "[ . 1 . 2]" 1
2668 2 50 MET H 2 50 MET HB2 4.120 . 4.320 3.952 3.224 4.194 . 0 0 "[ . 1 . 2]" 1
2669 2 51 ASP H 2 52 ALA H 4.400 . 4.600 3.495 2.105 4.484 . 0 0 "[ . 1 . 2]" 1
2670 2 51 ASP H 2 51 ASP QB 3.490 . 3.690 2.653 2.261 3.424 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 118
_Distance_constraint_stats_list.Viol_count 649
_Distance_constraint_stats_list.Viol_total 450.568
_Distance_constraint_stats_list.Viol_max 0.156
_Distance_constraint_stats_list.Viol_rms 0.0211
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0095
_Distance_constraint_stats_list.Viol_average_violations_only 0.0347
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 12 GLN 0.064 0.025 2 0 "[ . 1 . 2]"
1 13 ASP 0.687 0.082 16 0 "[ . 1 . 2]"
1 14 LEU 0.350 0.042 12 0 "[ . 1 . 2]"
1 15 ARG 0.103 0.033 2 0 "[ . 1 . 2]"
1 16 SER 0.064 0.025 2 0 "[ . 1 . 2]"
1 17 HIS 0.896 0.082 16 0 "[ . 1 . 2]"
1 18 LEU 0.404 0.042 12 0 "[ . 1 . 2]"
1 19 VAL 0.103 0.033 2 0 "[ . 1 . 2]"
1 20 HIS 0.520 0.055 5 0 "[ . 1 . 2]"
1 21 LYS 0.421 0.047 1 0 "[ . 1 . 2]"
1 22 LEU 0.132 0.063 1 0 "[ . 1 . 2]"
1 23 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLN 0.520 0.055 5 0 "[ . 1 . 2]"
1 25 ALA 0.211 0.033 4 0 "[ . 1 . 2]"
1 26 ILE 0.078 0.063 1 0 "[ . 1 . 2]"
1 39 ARG 0.881 0.090 19 0 "[ . 1 . 2]"
1 40 MET 1.336 0.104 20 0 "[ . 1 . 2]"
1 41 GLU 0.638 0.087 4 0 "[ . 1 . 2]"
1 42 ASN 0.928 0.081 8 0 "[ . 1 . 2]"
1 43 LEU 1.308 0.090 19 0 "[ . 1 . 2]"
1 44 VAL 1.994 0.104 20 0 "[ . 1 . 2]"
1 45 ALA 0.682 0.087 4 0 "[ . 1 . 2]"
1 46 TYR 0.928 0.081 8 0 "[ . 1 . 2]"
1 47 ALA 0.577 0.063 15 0 "[ . 1 . 2]"
1 48 LYS 0.669 0.056 8 0 "[ . 1 . 2]"
1 49 LYS 1.218 0.105 20 0 "[ . 1 . 2]"
1 50 VAL 0.057 0.025 1 0 "[ . 1 . 2]"
1 51 GLU 0.149 0.024 18 0 "[ . 1 . 2]"
1 52 GLY 0.035 0.024 11 0 "[ . 1 . 2]"
1 53 ASP 1.657 0.105 20 0 "[ . 1 . 2]"
1 54 MET 0.057 0.025 1 0 "[ . 1 . 2]"
1 55 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLU 0.024 0.024 11 0 "[ . 1 . 2]"
1 57 SER 0.484 0.065 19 0 "[ . 1 . 2]"
1 61 ARG 0.149 0.035 16 0 "[ . 1 . 2]"
1 62 ASP 0.012 0.006 8 0 "[ . 1 . 2]"
1 63 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 TYR 0.045 0.014 10 0 "[ . 1 . 2]"
1 65 TYR 0.193 0.035 1 0 "[ . 1 . 2]"
1 66 HIS 0.045 0.034 1 0 "[ . 1 . 2]"
1 67 LEU 1.767 0.116 11 0 "[ . 1 . 2]"
1 68 LEU 0.045 0.014 10 0 "[ . 1 . 2]"
1 69 ALA 0.069 0.035 1 0 "[ . 1 . 2]"
1 70 GLU 0.505 0.050 17 0 "[ . 1 . 2]"
1 71 LYS 2.884 0.116 11 0 "[ . 1 . 2]"
1 72 ILE 0.006 0.006 1 0 "[ . 1 . 2]"
1 73 TYR 2.675 0.109 14 0 "[ . 1 . 2]"
1 74 LYS 0.539 0.050 17 0 "[ . 1 . 2]"
1 75 ILE 1.205 0.097 14 0 "[ . 1 . 2]"
1 76 GLN 0.739 0.083 14 0 "[ . 1 . 2]"
1 77 LYS 2.786 0.109 14 0 "[ . 1 . 2]"
1 78 GLU 0.104 0.044 10 0 "[ . 1 . 2]"
1 79 LEU 0.304 0.038 5 0 "[ . 1 . 2]"
1 80 GLU 0.880 0.083 14 0 "[ . 1 . 2]"
1 81 GLU 0.136 0.039 14 0 "[ . 1 . 2]"
1 82 LYS 0.037 0.015 20 0 "[ . 1 . 2]"
1 83 ARG 0.215 0.038 5 0 "[ . 1 . 2]"
1 84 ARG 0.147 0.083 14 0 "[ . 1 . 2]"
2 9 GLN 0.066 0.037 5 0 "[ . 1 . 2]"
2 10 THR 0.133 0.041 12 0 "[ . 1 . 2]"
2 11 LEU 0.161 0.052 8 0 "[ . 1 . 2]"
2 12 GLN 0.175 0.050 16 0 "[ . 1 . 2]"
2 13 ASP 0.556 0.111 6 0 "[ . 1 . 2]"
2 14 LEU 0.417 0.055 15 0 "[ . 1 . 2]"
2 15 LEU 0.483 0.057 10 0 "[ . 1 . 2]"
2 16 THR 0.175 0.050 16 0 "[ . 1 . 2]"
2 17 SER 0.490 0.111 6 0 "[ . 1 . 2]"
2 18 ASP 0.284 0.055 15 0 "[ . 1 . 2]"
2 19 SER 0.322 0.057 10 0 "[ . 1 . 2]"
2 41 MET 0.854 0.082 16 0 "[ . 1 . 2]"
2 42 GLU 0.496 0.086 12 0 "[ . 1 . 2]"
2 43 SER 0.629 0.079 3 0 "[ . 1 . 2]"
2 44 ILE 0.086 0.021 1 0 "[ . 1 . 2]"
2 45 ILE 1.248 0.085 7 0 "[ . 1 . 2]"
2 46 ARG 2.104 0.156 1 0 "[ . 1 . 2]"
2 47 SER 0.629 0.079 3 0 "[ . 1 . 2]"
2 48 GLU 0.086 0.021 1 0 "[ . 1 . 2]"
2 49 LEU 0.394 0.085 7 0 "[ . 1 . 2]"
2 50 MET 1.608 0.156 1 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 12 GLN O 1 16 SER H 2.000 . 2.100 1.844 1.775 2.083 0.025 2 0 "[ . 1 . 2]" 2
2 1 12 GLN O 1 16 SER N 3.000 2.700 3.100 2.794 2.724 3.017 . 0 0 "[ . 1 . 2]" 2
3 1 13 ASP O 1 17 HIS H 2.000 . 2.100 2.126 1.977 2.182 0.082 16 0 "[ . 1 . 2]" 2
4 1 13 ASP O 1 17 HIS N 3.000 2.700 3.100 2.930 2.787 3.011 . 0 0 "[ . 1 . 2]" 2
5 1 14 LEU O 1 18 LEU H 2.000 . 2.100 2.114 2.066 2.142 0.042 12 0 "[ . 1 . 2]" 2
6 1 14 LEU O 1 18 LEU N 3.000 2.700 3.100 3.057 3.022 3.101 0.001 12 0 "[ . 1 . 2]" 2
7 1 15 ARG O 1 19 VAL H 2.000 . 2.100 1.828 1.767 1.923 0.033 2 0 "[ . 1 . 2]" 2
8 1 15 ARG O 1 19 VAL N 3.000 2.700 3.100 2.784 2.721 2.894 . 0 0 "[ . 1 . 2]" 2
9 1 16 SER O 1 20 HIS H 2.000 . 2.100 1.874 1.802 1.995 . 0 0 "[ . 1 . 2]" 2
10 1 16 SER O 1 20 HIS N 3.000 2.700 3.100 2.817 2.759 2.916 . 0 0 "[ . 1 . 2]" 2
11 1 17 HIS O 1 21 LYS H 2.000 . 2.100 2.088 2.014 2.147 0.047 1 0 "[ . 1 . 2]" 2
12 1 17 HIS O 1 21 LYS N 3.000 2.700 3.100 3.024 2.968 3.090 . 0 0 "[ . 1 . 2]" 2
13 1 18 LEU O 1 22 LEU H 2.000 . 2.100 1.820 1.787 1.895 0.013 8 0 "[ . 1 . 2]" 2
14 1 18 LEU O 1 22 LEU N 3.000 2.700 3.100 2.745 2.705 2.813 . 0 0 "[ . 1 . 2]" 2
15 1 19 VAL O 1 23 VAL H 2.000 . 2.100 1.996 1.924 2.098 . 0 0 "[ . 1 . 2]" 2
16 1 19 VAL O 1 23 VAL N 3.000 2.700 3.100 2.959 2.888 3.052 . 0 0 "[ . 1 . 2]" 2
17 1 20 HIS O 1 24 GLN H 2.000 . 2.100 2.115 1.973 2.155 0.055 5 0 "[ . 1 . 2]" 2
18 1 20 HIS O 1 24 GLN N 3.000 2.700 3.100 3.060 2.918 3.114 0.014 5 0 "[ . 1 . 2]" 2
19 1 21 LYS O 1 25 ALA H 2.000 . 2.100 2.085 1.949 2.133 0.033 4 0 "[ . 1 . 2]" 2
20 1 21 LYS O 1 25 ALA N 3.000 2.700 3.100 2.989 2.845 3.073 . 0 0 "[ . 1 . 2]" 2
21 1 22 LEU O 1 26 ILE H 2.000 . 2.100 1.858 1.737 1.947 0.063 1 0 "[ . 1 . 2]" 2
22 1 22 LEU O 1 26 ILE N 3.000 2.700 3.100 2.816 2.698 2.901 0.002 1 0 "[ . 1 . 2]" 2
23 1 39 ARG O 1 43 LEU H 2.000 . 2.100 2.128 1.936 2.190 0.090 19 0 "[ . 1 . 2]" 2
24 1 39 ARG O 1 43 LEU N 3.000 2.700 3.100 3.075 2.858 3.128 0.028 16 0 "[ . 1 . 2]" 2
25 1 40 MET O 1 44 VAL H 2.000 . 2.100 1.735 1.696 1.787 0.104 20 0 "[ . 1 . 2]" 2
26 1 40 MET O 1 44 VAL N 3.000 2.700 3.100 2.713 2.671 2.770 0.029 20 0 "[ . 1 . 2]" 2
27 1 41 GLU O 1 45 ALA H 2.000 . 2.100 2.125 1.991 2.187 0.087 4 0 "[ . 1 . 2]" 2
28 1 41 GLU O 1 45 ALA N 3.000 2.700 3.100 2.899 2.787 2.979 . 0 0 "[ . 1 . 2]" 2
29 1 42 ASN O 1 46 TYR H 2.000 . 2.100 2.122 1.943 2.181 0.081 8 0 "[ . 1 . 2]" 2
30 1 42 ASN O 1 46 TYR N 3.000 2.700 3.100 3.086 2.911 3.145 0.045 8 0 "[ . 1 . 2]" 2
31 1 43 LEU O 1 47 ALA H 2.000 . 2.100 2.103 1.953 2.163 0.063 15 0 "[ . 1 . 2]" 2
32 1 43 LEU O 1 47 ALA N 3.000 2.700 3.100 3.044 2.904 3.108 0.008 7 0 "[ . 1 . 2]" 2
33 1 44 VAL O 1 48 LYS H 2.000 . 2.100 1.767 1.744 1.800 0.056 8 0 "[ . 1 . 2]" 2
34 1 44 VAL O 1 48 LYS N 3.000 2.700 3.100 2.717 2.699 2.750 0.001 20 0 "[ . 1 . 2]" 2
35 1 45 ALA O 1 49 LYS H 2.000 . 2.100 2.029 1.929 2.120 0.020 8 0 "[ . 1 . 2]" 2
36 1 45 ALA O 1 49 LYS N 3.000 2.700 3.100 2.948 2.869 3.025 . 0 0 "[ . 1 . 2]" 2
37 1 46 TYR O 1 50 VAL H 2.000 . 2.100 1.953 1.897 2.021 . 0 0 "[ . 1 . 2]" 2
38 1 46 TYR O 1 50 VAL N 3.000 2.700 3.100 2.896 2.846 2.976 . 0 0 "[ . 1 . 2]" 2
39 1 47 ALA O 1 51 GLU H 2.000 . 2.100 1.804 1.776 1.853 0.024 18 0 "[ . 1 . 2]" 2
40 1 47 ALA O 1 51 GLU N 3.000 2.700 3.100 2.750 2.722 2.815 . 0 0 "[ . 1 . 2]" 2
41 1 48 LYS O 1 52 GLY H 2.000 . 2.100 1.855 1.789 1.994 0.011 3 0 "[ . 1 . 2]" 2
42 1 48 LYS O 1 52 GLY N 3.000 2.700 3.100 2.789 2.732 2.870 . 0 0 "[ . 1 . 2]" 2
43 1 49 LYS O 1 53 ASP H 2.000 . 2.100 2.159 2.113 2.205 0.105 20 0 "[ . 1 . 2]" 2
44 1 49 LYS O 1 53 ASP N 3.000 2.700 3.100 3.035 2.960 3.088 . 0 0 "[ . 1 . 2]" 2
45 1 50 VAL O 1 54 MET H 2.000 . 2.100 2.067 1.955 2.125 0.025 1 0 "[ . 1 . 2]" 2
46 1 50 VAL O 1 54 MET N 3.000 2.700 3.100 3.044 2.933 3.100 . 0 0 "[ . 1 . 2]" 2
47 1 51 GLU O 1 55 TYR H 2.000 . 2.100 1.868 1.800 1.973 . 0 0 "[ . 1 . 2]" 2
48 1 51 GLU O 1 55 TYR N 3.000 2.700 3.100 2.770 2.726 2.848 . 0 0 "[ . 1 . 2]" 2
49 1 52 GLY O 1 56 GLU H 2.000 . 2.100 1.939 1.808 2.124 0.024 11 0 "[ . 1 . 2]" 2
50 1 52 GLY O 1 56 GLU N 3.000 2.700 3.100 2.882 2.774 3.073 . 0 0 "[ . 1 . 2]" 2
51 1 53 ASP O 1 57 SER H 2.000 . 2.100 2.120 2.052 2.165 0.065 19 0 "[ . 1 . 2]" 2
52 1 53 ASP O 1 57 SER N 3.000 2.700 3.100 2.857 2.791 3.005 . 0 0 "[ . 1 . 2]" 2
53 1 61 ARG O 1 65 TYR H 2.000 . 2.100 1.816 1.765 1.896 0.035 16 0 "[ . 1 . 2]" 2
54 1 61 ARG O 1 65 TYR N 3.000 2.700 3.100 2.774 2.727 2.851 . 0 0 "[ . 1 . 2]" 2
55 1 62 ASP O 1 66 HIS H 2.000 . 2.100 1.926 1.794 2.105 0.006 8 0 "[ . 1 . 2]" 2
56 1 62 ASP O 1 66 HIS N 3.000 2.700 3.100 2.830 2.734 2.949 . 0 0 "[ . 1 . 2]" 2
57 1 63 GLU O 1 67 LEU H 2.000 . 2.100 1.901 1.804 2.011 . 0 0 "[ . 1 . 2]" 2
58 1 63 GLU O 1 67 LEU N 3.000 2.700 3.100 2.876 2.759 2.994 . 0 0 "[ . 1 . 2]" 2
59 1 64 TYR O 1 68 LEU H 2.000 . 2.100 2.075 2.025 2.114 0.014 10 0 "[ . 1 . 2]" 2
60 1 64 TYR O 1 68 LEU N 3.000 2.700 3.100 2.996 2.935 3.045 . 0 0 "[ . 1 . 2]" 2
61 1 65 TYR O 1 69 ALA H 2.000 . 2.100 1.939 1.798 2.135 0.035 1 0 "[ . 1 . 2]" 2
62 1 65 TYR O 1 69 ALA N 3.000 2.700 3.100 2.817 2.693 2.984 0.007 16 0 "[ . 1 . 2]" 2
63 1 66 HIS O 1 70 GLU H 2.000 . 2.100 2.015 1.918 2.134 0.034 1 0 "[ . 1 . 2]" 2
64 1 66 HIS O 1 70 GLU N 3.000 2.700 3.100 2.871 2.754 3.028 . 0 0 "[ . 1 . 2]" 2
65 1 67 LEU O 1 71 LYS H 2.000 . 2.100 2.171 2.121 2.216 0.116 11 0 "[ . 1 . 2]" 2
66 1 67 LEU O 1 71 LYS N 3.000 2.700 3.100 3.105 3.040 3.174 0.074 11 0 "[ . 1 . 2]" 2
67 1 68 LEU O 1 72 ILE H 2.000 . 2.100 1.962 1.842 2.067 . 0 0 "[ . 1 . 2]" 2
68 1 68 LEU O 1 72 ILE N 3.000 2.700 3.100 2.906 2.802 3.015 . 0 0 "[ . 1 . 2]" 2
69 1 69 ALA O 1 73 TYR H 2.000 . 2.100 1.963 1.803 2.121 0.021 20 0 "[ . 1 . 2]" 2
70 1 69 ALA O 1 73 TYR N 3.000 2.700 3.100 2.901 2.758 3.072 . 0 0 "[ . 1 . 2]" 2
71 1 70 GLU O 1 74 LYS H 2.000 . 2.100 2.098 1.900 2.150 0.050 17 0 "[ . 1 . 2]" 2
72 1 70 GLU O 1 74 LYS N 3.000 2.700 3.100 3.063 2.877 3.112 0.012 10 0 "[ . 1 . 2]" 2
73 1 71 LYS O 1 75 ILE H 2.000 . 2.100 2.155 2.087 2.197 0.097 14 0 "[ . 1 . 2]" 2
74 1 71 LYS O 1 75 ILE N 3.000 2.700 3.100 3.055 2.972 3.100 0.000 13 0 "[ . 1 . 2]" 2
75 1 72 ILE O 1 76 GLN H 2.000 . 2.100 1.957 1.833 2.106 0.006 1 0 "[ . 1 . 2]" 2
76 1 72 ILE O 1 76 GLN N 3.000 2.700 3.100 2.828 2.750 2.941 . 0 0 "[ . 1 . 2]" 2
77 1 73 TYR O 1 77 LYS H 2.000 . 2.100 2.180 2.146 2.209 0.109 14 0 "[ . 1 . 2]" 2
78 1 73 TYR O 1 77 LYS N 3.000 2.700 3.100 3.152 3.114 3.189 0.089 14 0 "[ . 1 . 2]" 2
79 1 74 LYS O 1 78 GLU H 2.000 . 2.100 1.981 1.797 2.144 0.044 10 0 "[ . 1 . 2]" 2
80 1 74 LYS O 1 78 GLU N 3.000 2.700 3.100 2.841 2.702 3.007 . 0 0 "[ . 1 . 2]" 2
81 1 75 ILE O 1 79 LEU H 2.000 . 2.100 1.845 1.767 2.002 0.033 7 0 "[ . 1 . 2]" 2
82 1 75 ILE O 1 79 LEU N 3.000 2.700 3.100 2.793 2.699 2.973 0.001 7 0 "[ . 1 . 2]" 2
83 1 76 GLN O 1 80 GLU H 2.000 . 2.100 2.126 2.035 2.183 0.083 14 0 "[ . 1 . 2]" 2
84 1 76 GLN O 1 80 GLU N 3.000 2.700 3.100 3.063 2.970 3.144 0.044 16 0 "[ . 1 . 2]" 2
85 1 77 LYS O 1 81 GLU H 2.000 . 2.100 2.031 1.865 2.139 0.039 14 0 "[ . 1 . 2]" 2
86 1 77 LYS O 1 81 GLU N 3.000 2.700 3.100 2.993 2.830 3.104 0.004 15 0 "[ . 1 . 2]" 2
87 1 78 GLU O 1 82 LYS H 2.000 . 2.100 1.969 1.819 2.115 0.015 20 0 "[ . 1 . 2]" 2
88 1 78 GLU O 1 82 LYS N 3.000 2.700 3.100 2.911 2.784 3.061 . 0 0 "[ . 1 . 2]" 2
89 1 79 LEU O 1 83 ARG H 2.000 . 2.100 2.074 1.830 2.138 0.038 5 0 "[ . 1 . 2]" 2
90 1 79 LEU O 1 83 ARG N 3.000 2.700 3.100 2.954 2.747 3.089 . 0 0 "[ . 1 . 2]" 2
91 1 80 GLU O 1 84 ARG H 2.000 . 2.100 2.010 1.806 2.183 0.083 14 0 "[ . 1 . 2]" 2
92 1 80 GLU O 1 84 ARG N 3.000 2.700 3.100 2.883 2.756 3.095 . 0 0 "[ . 1 . 2]" 2
93 2 9 GLN O 2 13 ASP H 2.000 . 2.100 1.947 1.789 2.137 0.037 5 0 "[ . 1 . 2]" 2
94 2 9 GLN O 2 13 ASP N 3.000 2.700 3.100 2.896 2.752 3.103 0.003 5 0 "[ . 1 . 2]" 2
95 2 10 THR O 2 14 LEU H 2.000 . 2.100 1.932 1.786 2.141 0.041 12 0 "[ . 1 . 2]" 2
96 2 10 THR O 2 14 LEU N 3.000 2.700 3.100 2.858 2.727 3.062 . 0 0 "[ . 1 . 2]" 2
97 2 11 LEU O 2 15 LEU H 2.000 . 2.100 2.046 1.825 2.152 0.052 8 0 "[ . 1 . 2]" 2
98 2 11 LEU O 2 15 LEU N 3.000 2.700 3.100 2.866 2.728 2.987 . 0 0 "[ . 1 . 2]" 2
99 2 12 GLN O 2 16 THR H 2.000 . 2.100 2.033 1.907 2.150 0.050 16 0 "[ . 1 . 2]" 2
100 2 12 GLN O 2 16 THR N 3.000 2.700 3.100 2.924 2.741 3.059 . 0 0 "[ . 1 . 2]" 2
101 2 13 ASP O 2 17 SER H 2.000 . 2.100 2.031 1.791 2.211 0.111 6 0 "[ . 1 . 2]" 2
102 2 13 ASP O 2 17 SER N 3.000 2.700 3.100 2.960 2.710 3.120 0.020 6 0 "[ . 1 . 2]" 2
103 2 14 LEU O 2 18 ASP H 2.000 . 2.100 1.915 1.763 2.155 0.055 15 0 "[ . 1 . 2]" 2
104 2 14 LEU O 2 18 ASP N 3.000 2.700 3.100 2.781 2.659 3.006 0.041 4 0 "[ . 1 . 2]" 2
105 2 15 LEU O 2 19 SER H 2.000 . 2.100 2.065 1.858 2.157 0.057 10 0 "[ . 1 . 2]" 2
106 2 15 LEU O 2 19 SER N 3.000 2.700 3.100 2.934 2.743 3.088 . 0 0 "[ . 1 . 2]" 2
107 2 41 MET O 2 45 ILE H 2.000 . 2.100 1.833 1.724 2.182 0.082 16 0 "[ . 1 . 2]" 2
108 2 41 MET O 2 45 ILE N 3.000 2.700 3.100 2.800 2.676 3.140 0.040 16 0 "[ . 1 . 2]" 2
109 2 42 GLU O 2 46 ARG H 2.000 . 2.100 2.105 1.995 2.186 0.086 12 0 "[ . 1 . 2]" 2
110 2 42 GLU O 2 46 ARG N 3.000 2.700 3.100 3.017 2.898 3.133 0.033 14 0 "[ . 1 . 2]" 2
111 2 43 SER O 2 47 SER H 2.000 . 2.100 2.095 1.865 2.179 0.079 3 0 "[ . 1 . 2]" 2
112 2 43 SER O 2 47 SER N 3.000 2.700 3.100 3.066 2.836 3.145 0.045 3 0 "[ . 1 . 2]" 2
113 2 44 ILE O 2 48 GLU H 2.000 . 2.100 1.871 1.779 2.104 0.021 1 0 "[ . 1 . 2]" 2
114 2 44 ILE O 2 48 GLU N 3.000 2.700 3.100 2.818 2.721 3.022 . 0 0 "[ . 1 . 2]" 2
115 2 45 ILE O 2 49 LEU H 2.000 . 2.100 2.036 1.782 2.185 0.085 7 0 "[ . 1 . 2]" 2
116 2 45 ILE O 2 49 LEU N 3.000 2.700 3.100 2.865 2.699 3.029 0.001 13 0 "[ . 1 . 2]" 2
117 2 46 ARG O 2 50 MET H 2.000 . 2.100 2.172 2.008 2.256 0.156 1 0 "[ . 1 . 2]" 2
118 2 46 ARG O 2 50 MET N 3.000 2.700 3.100 3.036 2.878 3.153 0.053 2 0 "[ . 1 . 2]" 2
stop_
save_
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