NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
386858 |
1lxf   |
5386 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1lxf
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 1126
_Distance_constraint_stats_list.Viol_count 597
_Distance_constraint_stats_list.Viol_total 2850.943
_Distance_constraint_stats_list.Viol_max 2.987
_Distance_constraint_stats_list.Viol_rms 0.0592
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.1592
_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 3 ASP 0.031 0.012 9 0 "[ . 1 . 2 . 3]"
1 4 ILE 0.033 0.012 9 0 "[ . 1 . 2 . 3]"
1 5 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 6 LYS 0.616 0.151 12 0 "[ . 1 . 2 . 3]"
1 7 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 8 ALA 0.070 0.070 11 0 "[ . 1 . 2 . 3]"
1 9 VAL 1.055 0.151 12 0 "[ . 1 . 2 . 3]"
1 10 GLU 1.396 0.090 12 0 "[ . 1 . 2 . 3]"
1 11 GLN 2.957 0.103 11 0 "[ . 1 . 2 . 3]"
1 12 LEU 2.267 0.110 9 0 "[ . 1 . 2 . 3]"
1 13 THR 0.006 0.006 20 0 "[ . 1 . 2 . 3]"
1 14 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 15 GLU 1.064 0.095 16 0 "[ . 1 . 2 . 3]"
1 16 GLN 1.782 0.095 16 0 "[ . 1 . 2 . 3]"
1 17 LYS 0.199 0.059 14 0 "[ . 1 . 2 . 3]"
1 18 ASN 0.064 0.017 28 0 "[ . 1 . 2 . 3]"
1 19 GLU 0.865 0.116 28 0 "[ . 1 . 2 . 3]"
1 20 PHE 0.346 0.116 28 0 "[ . 1 . 2 . 3]"
1 21 LYS 0.056 0.017 28 0 "[ . 1 . 2 . 3]"
1 22 ALA 3.543 0.345 21 0 "[ . 1 . 2 . 3]"
1 23 ALA 4.697 0.354 19 0 "[ . 1 . 2 . 3]"
1 24 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 25 ASP 0.023 0.015 29 0 "[ . 1 . 2 . 3]"
1 26 ILE 2.394 0.429 27 0 "[ . 1 . 2 . 3]"
1 27 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 28 VAL 0.170 0.050 21 0 "[ . 1 . 2 . 3]"
1 29 LEU 2.369 0.126 27 0 "[ . 1 . 2 . 3]"
1 30 GLY 1.862 0.126 27 0 "[ . 1 . 2 . 3]"
1 31 ALA 0.008 0.008 10 0 "[ . 1 . 2 . 3]"
1 32 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 33 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 34 GLY 0.775 0.075 26 0 "[ . 1 . 2 . 3]"
1 35 CYS 0.349 0.078 19 0 "[ . 1 . 2 . 3]"
1 36 ILE 0.742 0.129 15 0 "[ . 1 . 2 . 3]"
1 37 SER 0.069 0.017 29 0 "[ . 1 . 2 . 3]"
1 38 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 39 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 40 GLU 0.017 0.017 23 0 "[ . 1 . 2 . 3]"
1 41 LEU 0.423 0.145 16 0 "[ . 1 . 2 . 3]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 43 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 44 VAL 1.047 0.246 5 0 "[ . 1 . 2 . 3]"
1 45 MET 0.309 0.099 3 0 "[ . 1 . 2 . 3]"
1 46 ARG 0.136 0.026 20 0 "[ . 1 . 2 . 3]"
1 47 MET 4.894 0.355 22 0 "[ . 1 . 2 . 3]"
1 48 LEU 8.670 0.443 12 0 "[ . 1 . 2 . 3]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 50 GLN 0.068 0.026 20 0 "[ . 1 . 2 . 3]"
1 51 ASN 0.016 0.006 4 0 "[ . 1 . 2 . 3]"
1 52 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 53 THR 0.644 0.056 16 0 "[ . 1 . 2 . 3]"
1 54 PRO 0.045 0.039 19 0 "[ . 1 . 2 . 3]"
1 55 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 56 GLU 0.583 0.056 16 0 "[ . 1 . 2 . 3]"
1 57 LEU 0.242 0.145 16 0 "[ . 1 . 2 . 3]"
1 58 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 59 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 60 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 61 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 62 ASP 0.182 0.052 14 0 "[ . 1 . 2 . 3]"
1 63 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 64 VAL 4.086 0.235 20 0 "[ . 1 . 2 . 3]"
1 65 ASP 0.309 0.052 14 0 "[ . 1 . 2 . 3]"
1 66 GLU 0.011 0.011 30 0 "[ . 1 . 2 . 3]"
1 67 ASP 0.658 0.330 25 0 "[ . 1 . 2 . 3]"
1 68 GLY 0.080 0.021 12 0 "[ . 1 . 2 . 3]"
1 69 SER 0.003 0.003 20 0 "[ . 1 . 2 . 3]"
1 70 GLY 0.028 0.021 13 0 "[ . 1 . 2 . 3]"
1 71 THR 0.111 0.020 15 0 "[ . 1 . 2 . 3]"
1 72 VAL 4.316 0.235 20 0 "[ . 1 . 2 . 3]"
1 73 ASP 0.770 0.075 26 0 "[ . 1 . 2 . 3]"
1 74 PHE 0.196 0.055 3 0 "[ . 1 . 2 . 3]"
1 75 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 76 GLU 0.161 0.035 15 0 "[ . 1 . 2 . 3]"
1 77 PHE 0.201 0.055 3 0 "[ . 1 . 2 . 3]"
1 78 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 79 VAL 0.123 0.041 28 0 "[ . 1 . 2 . 3]"
1 80 MET 0.015 0.010 23 0 "[ . 1 . 2 . 3]"
1 81 MET 0.014 0.014 11 0 "[ . 1 . 2 . 3]"
1 82 VAL 0.378 0.070 11 0 "[ . 1 . 2 . 3]"
1 83 ARG 0.185 0.069 9 0 "[ . 1 . 2 . 3]"
1 84 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 85 MET 0.014 0.014 11 0 "[ . 1 . 2 . 3]"
1 86 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 87 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 88 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 89 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 1 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 2 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 3 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 4 ALA 0.021 0.012 9 0 "[ . 1 . 2 . 3]"
2 5 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 6 ALA 0.107 0.101 21 0 "[ . 1 . 2 . 3]"
2 7 MET 1.258 0.337 24 0 "[ . 1 . 2 . 3]"
2 8 MET 1.271 0.223 15 0 "[ . 1 . 2 . 3]"
2 9 GLN 1.111 0.364 26 0 "[ . 1 . 2 . 3]"
2 10 ALA 61.166 2.987 27 24 "[*** * ***1****** *******.*+ -*]"
2 11 LEU 11.777 0.429 27 0 "[ . 1 . 2 . 3]"
2 12 LEU 1.164 0.364 26 0 "[ . 1 . 2 . 3]"
2 13 GLY 50.482 2.987 27 24 "[*-* * ***1****** *******.*+ **]"
2 14 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 16 ALA 1.618 0.575 2 1 "[ + . 1 . 2 . 3]"
3 1 CA 0.805 0.330 25 0 "[ . 1 . 2 . 3]"
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 3 ASP H 1 3 ASP HA 2.940 . 4.170 2.862 2.741 2.920 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 3 ASP H 1 3 ASP QB 2.800 . 3.900 2.413 2.081 2.848 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 3 ASP H 1 4 ILE H 2.980 . 4.260 2.589 2.288 3.196 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 3 ASP HA 1 3 ASP QB 2.660 . 3.620 2.369 2.183 2.541 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 3 ASP HA 1 4 ILE H 2.630 . 3.560 3.521 3.353 3.572 0.012 9 0 "[ . 1 . 2 . 3]" 1
6 1 3 ASP HA 1 6 LYS H 3.170 . 4.640 2.940 2.725 3.163 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 3 ASP HA 1 6 LYS QB 2.960 . 4.210 2.466 1.912 3.101 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 3 ASP HA 1 6 LYS QD 3.480 . 5.260 4.463 3.976 4.699 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 3 ASP QB 1 4 ILE MD 3.850 . 6.000 3.999 3.378 4.479 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 3 ASP QB 1 4 ILE MG 3.810 . 5.910 3.446 2.877 4.329 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 3 ASP QB 1 6 LYS QB 3.330 . 4.960 3.549 2.781 3.966 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 4 ILE H 1 4 ILE HA 2.770 . 3.830 2.739 2.692 2.811 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 4 ILE H 1 4 ILE HB 2.670 . 3.640 3.606 3.575 3.641 0.001 25 0 "[ . 1 . 2 . 3]" 1
14 1 4 ILE H 1 4 ILE MD 3.850 . 6.000 2.171 1.756 3.373 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 4 ILE H 1 4 ILE QG 2.650 . 3.600 2.909 2.077 3.238 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 4 ILE H 1 4 ILE MG 2.810 . 3.930 1.975 1.829 2.210 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 4 ILE H 1 5 TYR H 2.650 . 3.590 2.815 2.649 2.944 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 4 ILE HA 1 4 ILE HB 2.650 . 3.600 2.427 2.373 2.509 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 4 ILE HA 1 4 ILE MD 3.710 . 5.710 3.657 3.438 4.129 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 4 ILE HA 1 4 ILE QG 2.960 . 4.210 3.382 3.284 3.446 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 4 ILE HA 1 4 ILE MG 2.790 . 3.880 2.367 2.190 2.487 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 4 ILE HA 1 5 TYR H 3.100 . 4.500 3.485 3.435 3.512 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 4 ILE HA 1 7 ALA H 3.210 . 4.710 4.126 3.895 4.485 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 4 ILE HA 1 7 ALA MB 3.080 . 4.460 3.553 3.231 3.726 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 4 ILE HB 1 4 ILE MD 3.330 . 4.950 3.015 2.447 3.196 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 4 ILE HB 1 5 TYR H 3.040 . 4.380 3.953 3.785 4.176 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 4 ILE MD 1 5 TYR H 3.850 . 6.000 2.554 1.859 4.026 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 4 ILE MD 1 5 TYR QE 3.850 . 6.000 2.210 1.844 3.895 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 4 ILE QG 1 4 ILE MG 2.830 . 3.950 2.406 2.314 2.599 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 4 ILE QG 1 5 TYR H 3.010 . 4.320 2.232 1.845 2.645 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 4 ILE QG 1 5 TYR HA 2.850 . 4.000 3.269 3.130 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 4 ILE MG 1 5 TYR H 3.230 . 4.760 3.851 3.706 4.007 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 4 ILE MG 1 5 TYR QD 3.850 . 6.000 4.286 4.064 4.469 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 4 ILE MG 1 5 TYR QE 3.850 . 6.000 4.424 4.243 4.500 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 5 TYR H 1 5 TYR HA 2.790 . 3.880 2.910 2.868 2.924 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 5 TYR H 1 5 TYR HB2 2.690 . 3.670 2.429 2.306 2.522 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 5 TYR H 1 5 TYR HB3 2.830 . 3.950 3.623 3.580 3.651 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 5 TYR H 1 5 TYR QD 3.410 . 5.120 2.325 1.853 2.868 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 5 TYR H 1 6 LYS H 2.570 . 3.440 2.357 2.241 2.524 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 5 TYR H 1 6 LYS QB 3.280 . 4.860 4.203 4.013 4.342 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 5 TYR H 1 6 LYS QG 3.420 . 5.140 4.194 3.556 4.562 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 5 TYR HA 1 5 TYR HB2 2.790 . 3.890 3.026 3.005 3.033 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 5 TYR HA 1 5 TYR HB3 2.670 . 3.650 2.501 2.446 2.591 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 5 TYR HA 1 5 TYR QD 3.270 . 4.840 2.798 1.925 3.070 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 5 TYR HA 1 5 TYR QE 3.850 . 6.000 4.518 4.260 4.668 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 5 TYR HA 1 6 LYS H 2.970 . 4.240 3.529 3.477 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 5 TYR HA 1 8 ALA H 3.200 . 4.700 3.295 2.817 3.728 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 5 TYR HA 1 8 ALA MB 3.280 . 4.860 2.591 2.125 3.155 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 5 TYR HB2 1 6 LYS H 2.950 . 4.200 2.643 2.182 2.958 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 5 TYR HB2 1 9 VAL QG 3.730 . 5.760 3.784 3.218 4.173 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 5 TYR HB3 1 6 LYS H 3.230 . 4.750 3.628 3.274 3.892 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 5 TYR HB3 1 9 VAL QG 3.580 . 5.460 2.722 2.198 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 5 TYR HB3 1 79 VAL QG 3.480 . 5.250 3.028 2.122 3.669 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 5 TYR QD 1 8 ALA MB 3.850 . 6.000 3.791 3.205 4.314 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 5 TYR QD 1 9 VAL QG 3.850 . 6.000 3.856 3.475 3.976 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 5 TYR QD 1 79 VAL QG 3.850 . 6.000 2.514 1.936 3.660 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 5 TYR QD 1 82 VAL QG 3.850 . 6.000 2.880 2.489 3.477 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 5 TYR QD 1 83 ARG HA 3.850 . 6.000 4.794 3.764 5.332 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 5 TYR QE 1 82 VAL QG 3.850 . 6.000 3.836 3.507 3.970 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 5 TYR QE 1 83 ARG HA 3.710 . 5.710 3.435 2.173 4.892 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 6 LYS H 1 6 LYS HA 2.810 . 3.920 2.745 2.704 2.794 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 6 LYS H 1 6 LYS QB 2.460 . 3.220 2.372 2.189 2.557 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 6 LYS H 1 6 LYS QD 3.540 . 5.380 3.785 3.205 4.175 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 6 LYS H 1 6 LYS QG 3.450 . 5.200 2.372 1.924 2.801 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 6 LYS H 1 9 VAL QG 3.850 . 6.000 4.115 3.096 4.462 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 6 LYS HA 1 6 LYS QB 2.650 . 3.610 2.445 2.370 2.507 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 6 LYS HA 1 6 LYS QD 3.600 . 5.500 2.083 1.822 2.872 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 6 LYS HA 1 6 LYS QE 3.380 . 5.050 3.824 2.957 4.290 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 6 LYS HA 1 6 LYS QG 3.530 . 5.360 2.579 2.335 2.836 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 6 LYS HA 1 9 VAL H 3.250 . 4.800 3.645 3.154 4.071 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 6 LYS HA 1 9 VAL HB 2.910 . 4.120 2.828 2.078 4.271 0.151 12 0 "[ . 1 . 2 . 3]" 1
72 1 6 LYS HA 1 9 VAL QG 3.560 . 5.410 2.937 1.682 3.349 0.018 15 0 "[ . 1 . 2 . 3]" 1
73 1 6 LYS QD 1 9 VAL QG 3.700 . 5.700 3.429 2.196 3.759 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 7 ALA H 1 7 ALA HA 2.540 . 3.390 2.826 2.729 2.899 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 7 ALA H 1 7 ALA MB 2.650 . 3.600 2.123 2.049 2.265 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 7 ALA H 1 8 ALA H 2.770 . 3.840 2.767 2.344 3.143 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 7 ALA H 1 10 GLU QB 3.480 . 5.260 4.587 4.208 4.713 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 7 ALA HA 1 7 ALA MB 2.420 . 3.150 2.116 2.097 2.141 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 7 ALA HA 1 10 GLU H 2.740 . 3.780 3.286 2.979 3.613 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 7 ALA HA 1 10 GLU QB 2.250 . 2.790 2.297 1.966 2.506 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 7 ALA HA 1 10 GLU QG 2.830 . 3.960 2.985 2.428 3.172 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 7 ALA MB 1 8 ALA H 3.030 . 4.360 2.363 1.863 2.747 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 7 ALA MB 1 10 GLU QB 3.620 . 5.540 3.754 3.582 4.000 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 7 ALA MB 1 10 GLU QG 3.850 . 6.000 4.337 3.923 4.485 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 8 ALA H 1 8 ALA HA 2.480 . 3.250 2.798 2.746 2.908 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 8 ALA H 1 8 ALA MB 3.080 . 4.460 2.135 2.046 2.290 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 8 ALA H 1 9 VAL H 2.690 . 3.680 2.721 2.269 2.967 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 8 ALA H 1 9 VAL QG 3.850 . 6.000 4.182 3.243 4.463 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 8 ALA HA 1 8 ALA MB 2.420 . 3.140 2.120 2.102 2.145 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 8 ALA HA 1 9 VAL H 2.790 . 3.890 3.522 3.451 3.570 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 8 ALA HA 1 11 GLN H 2.900 . 4.090 3.405 2.974 3.921 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 8 ALA HA 1 11 GLN QG 2.910 . 4.120 2.380 1.847 3.368 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 8 ALA HA 1 82 VAL QG 3.660 . 5.620 4.037 3.762 4.178 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 8 ALA MB 1 9 VAL H 3.290 . 4.880 2.601 2.184 2.913 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 8 ALA MB 1 9 VAL QG 3.740 . 5.780 3.052 2.851 3.255 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 8 ALA MB 1 82 VAL HB 3.760 . 5.820 4.156 3.602 4.753 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 8 ALA MB 1 82 VAL QG 3.300 . 4.900 1.983 1.630 2.548 0.070 11 0 "[ . 1 . 2 . 3]" 1
98 1 9 VAL H 1 9 VAL HA 2.800 . 3.900 2.864 2.776 2.917 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 9 VAL H 1 9 VAL QG 2.810 . 3.910 2.357 1.790 2.611 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 9 VAL H 1 10 GLU H 2.660 . 3.620 2.445 2.232 2.683 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 9 VAL H 1 11 GLN H 3.240 . 4.780 4.001 3.681 4.287 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 9 VAL HA 1 9 VAL HB 2.670 . 3.650 2.938 2.473 3.028 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 9 VAL HA 1 9 VAL QG 2.670 . 3.650 2.097 1.990 2.326 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 9 VAL HA 1 10 GLU H 3.310 . 4.920 3.449 3.399 3.486 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 9 VAL HA 1 11 GLN H 3.290 . 4.880 4.258 3.505 4.731 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 9 VAL HA 1 12 LEU H 2.780 . 3.860 3.780 3.608 3.902 0.042 10 0 "[ . 1 . 2 . 3]" 1
107 1 9 VAL HA 1 12 LEU QD 2.980 . 4.260 2.887 1.967 3.179 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 9 VAL HA 1 12 LEU HG 2.670 . 3.630 2.869 2.275 3.581 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 9 VAL HA 1 82 VAL QG 3.380 . 5.060 3.221 2.060 3.755 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 9 VAL HB 1 10 GLU H 2.720 . 3.740 3.173 2.863 3.805 0.065 26 0 "[ . 1 . 2 . 3]" 1
111 1 9 VAL QG 1 10 GLU H 3.380 . 5.060 3.139 1.847 3.461 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 9 VAL QG 1 10 GLU HA 3.160 . 4.620 3.401 3.192 3.485 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 9 VAL QG 1 10 GLU QG 3.400 . 5.090 3.158 2.049 3.380 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 9 VAL QG 1 78 LEU HB2 3.830 . 5.960 4.108 3.332 4.432 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 9 VAL QG 1 78 LEU QD 3.670 . 5.640 2.937 2.465 3.110 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 10 GLU H 1 10 GLU HA 2.850 . 4.000 2.903 2.845 2.923 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 10 GLU H 1 10 GLU QB 2.670 . 3.640 2.302 2.146 2.431 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 10 GLU H 1 10 GLU QG 3.140 . 4.580 2.733 2.456 3.071 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 10 GLU H 1 11 GLN H 2.670 . 3.630 2.343 2.195 2.686 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 10 GLU H 1 11 GLN HB2 3.040 . 4.380 4.417 4.386 4.470 0.090 12 0 "[ . 1 . 2 . 3]" 1
121 1 10 GLU HA 1 10 GLU QB 2.650 . 3.590 2.431 2.366 2.505 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 10 GLU HA 1 10 GLU QG 3.130 . 4.560 2.336 2.119 2.570 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 10 GLU HA 1 11 GLN H 3.330 . 4.960 3.474 3.113 3.556 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 10 GLU QB 1 11 GLN H 3.280 . 4.860 2.769 2.375 3.607 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 11 GLN H 1 11 GLN HA 2.660 . 3.620 2.797 2.717 2.955 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 11 GLN H 1 11 GLN HB2 3.000 . 4.300 2.455 2.355 2.622 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 11 GLN H 1 11 GLN HB3 2.800 . 3.900 3.593 3.567 3.638 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 11 GLN H 1 11 GLN QG 2.810 . 3.930 2.332 1.860 2.979 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 11 GLN H 1 12 LEU QD 3.850 . 6.000 4.199 3.223 4.479 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 11 GLN HA 1 11 GLN HB2 2.800 . 3.900 3.023 3.011 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 11 GLN HA 1 11 GLN HB3 2.920 . 4.130 2.521 2.467 2.585 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 11 GLN HA 1 11 GLN QG 2.730 . 3.760 2.336 2.123 2.812 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 11 GLN HA 1 12 LEU H 2.820 . 3.940 3.537 3.497 3.558 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 11 GLN HB2 1 11 GLN QG 2.650 . 3.600 2.225 2.168 2.495 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 11 GLN HB2 1 12 LEU H 3.230 . 4.760 2.477 2.223 2.737 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 11 GLN HB2 1 12 LEU HA 2.940 . 4.180 4.241 4.204 4.283 0.103 11 0 "[ . 1 . 2 . 3]" 1
137 1 11 GLN HB2 1 12 LEU QD 3.390 . 5.080 2.901 2.543 3.197 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 11 GLN HB3 1 11 GLN QG 2.660 . 3.620 2.488 2.239 2.547 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 11 GLN HB3 1 12 LEU QD 3.160 . 4.620 3.427 3.206 3.462 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 12 LEU H 1 12 LEU HA 2.750 . 3.790 2.761 2.709 2.853 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 12 LEU H 1 12 LEU QB 2.600 . 3.500 2.576 2.322 2.776 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 12 LEU H 1 12 LEU QD 2.990 . 4.280 2.393 1.749 2.731 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 12 LEU H 1 12 LEU HG 2.510 . 3.320 2.150 1.890 3.430 0.110 9 0 "[ . 1 . 2 . 3]" 1
144 1 12 LEU HA 1 12 LEU QD 2.400 . 3.100 1.890 1.762 2.089 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 12 LEU HA 1 12 LEU HG 2.760 . 3.820 3.331 3.187 3.653 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 12 LEU HA 1 13 THR H 2.680 . 3.660 2.205 2.138 2.425 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 12 LEU QB 1 12 LEU QD 2.690 . 3.690 1.935 1.904 2.029 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 12 LEU QB 1 17 LYS H 3.080 . 4.460 3.630 3.210 3.919 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 12 LEU QD 1 13 THR H 3.440 . 5.170 3.387 3.046 3.619 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 12 LEU QD 1 16 GLN HB3 3.200 . 4.700 3.484 3.210 3.615 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 12 LEU QD 1 16 GLN HE21 3.850 . 6.000 2.425 1.704 3.966 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 12 LEU QD 1 16 GLN HE22 3.850 . 6.000 2.350 1.785 3.790 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 12 LEU QD 1 17 LYS H 3.850 . 6.000 4.262 3.626 4.474 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 12 LEU QD 1 17 LYS HA 3.850 . 6.000 4.006 3.158 4.410 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 12 LEU QD 1 20 PHE QD 3.400 . 5.090 3.190 2.616 3.380 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 13 THR H 1 16 GLN H 3.310 . 4.920 3.835 3.400 4.451 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 13 THR H 1 16 GLN HB3 3.480 . 5.250 3.962 2.668 5.256 0.006 20 0 "[ . 1 . 2 . 3]" 1
158 1 13 THR H 1 16 GLN QG 3.230 . 4.760 3.039 1.956 4.206 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 13 THR HA 1 13 THR HB 2.650 . 3.600 2.678 2.342 3.012 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 13 THR HA 1 13 THR MG 3.100 . 4.500 2.129 1.876 2.495 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 13 THR HA 1 14 GLU H 2.490 . 3.280 2.383 2.181 2.565 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 13 THR HA 1 14 GLU QB 3.420 . 5.140 4.404 4.119 4.596 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 13 THR HA 1 15 GLU H 3.420 . 5.140 4.035 3.916 4.478 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 13 THR HB 1 14 GLU H 2.770 . 3.830 2.698 2.053 3.394 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 13 THR HB 1 15 GLU H 2.650 . 3.600 2.482 1.993 3.134 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 13 THR HB 1 15 GLU HB2 3.250 . 4.800 3.546 2.784 4.374 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 13 THR HB 1 16 GLN H 3.330 . 4.950 4.026 2.354 4.928 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 13 THR MG 1 14 GLU H 3.640 . 5.580 3.116 1.835 4.114 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 13 THR MG 1 15 GLU H 3.850 . 6.000 3.794 2.435 4.354 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 13 THR MG 1 16 GLN H 3.850 . 6.000 4.816 4.017 5.014 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 14 GLU H 1 14 GLU HA 2.830 . 3.960 2.761 2.694 2.853 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 14 GLU H 1 14 GLU QB 2.600 . 3.500 2.263 2.061 2.512 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 14 GLU H 1 14 GLU QG 3.020 . 4.340 2.963 2.029 3.896 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 14 GLU H 1 15 GLU H 2.710 . 3.730 2.771 2.578 2.949 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 14 GLU HA 1 14 GLU QB 2.650 . 3.590 2.369 2.186 2.542 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 14 GLU HA 1 14 GLU QG 3.130 . 4.560 2.635 1.893 3.301 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 14 GLU HA 1 15 GLU H 3.210 . 4.710 3.467 3.336 3.549 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 14 GLU HA 1 17 LYS H 3.240 . 4.780 3.636 3.167 4.102 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 14 GLU HA 1 17 LYS QE 3.560 . 5.410 4.283 2.308 4.832 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 14 GLU QG 1 18 ASN HD22 3.700 . 5.700 3.445 2.218 4.902 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 15 GLU H 1 15 GLU HA 2.810 . 3.930 2.809 2.719 2.891 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 15 GLU H 1 15 GLU HB2 2.540 . 3.380 2.657 2.497 2.812 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 15 GLU H 1 15 GLU HB3 2.780 . 3.860 3.602 3.589 3.626 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 15 GLU H 1 15 GLU QG 3.260 . 4.820 2.046 1.867 2.402 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 15 GLU H 1 16 GLN H 2.730 . 3.750 3.022 2.724 3.296 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 15 GLU HA 1 15 GLU HB3 2.650 . 3.610 2.414 2.388 2.460 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 15 GLU HA 1 16 GLN H 2.980 . 4.260 3.562 3.538 3.576 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 15 GLU HA 1 18 ASN H 2.970 . 4.240 3.794 3.214 4.220 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 15 GLU HA 1 18 ASN HD21 3.850 . 6.000 2.905 2.011 3.726 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 15 GLU HA 1 18 ASN HD22 3.850 . 6.000 3.927 3.103 4.577 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 15 GLU HB2 1 16 GLN H 2.730 . 3.760 1.951 1.824 2.391 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 15 GLU HB2 1 16 GLN HA 2.900 . 4.090 4.114 4.034 4.185 0.095 16 0 "[ . 1 . 2 . 3]" 1
193 1 15 GLU HB3 1 16 GLN H 2.730 . 3.770 3.171 2.945 3.597 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 15 GLU HB3 1 16 GLN HA 3.040 . 4.380 4.352 4.246 4.453 0.073 20 0 "[ . 1 . 2 . 3]" 1
195 1 15 GLU QG 1 18 ASN HD21 3.850 . 6.000 4.503 3.516 5.230 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 15 GLU QG 1 18 ASN HD22 3.850 . 6.000 5.038 4.185 5.348 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 16 GLN H 1 16 GLN HA 2.730 . 3.750 2.793 2.706 2.900 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 16 GLN H 1 16 GLN HB3 2.830 . 3.950 2.487 2.070 3.501 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 16 GLN H 1 16 GLN QG 2.970 . 4.240 2.737 1.730 3.514 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 16 GLN H 1 17 LYS H 2.690 . 3.670 2.723 2.346 3.001 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 16 GLN HA 1 16 GLN HB2 2.850 . 4.000 2.430 2.241 2.861 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 16 GLN HA 1 16 GLN HB3 2.670 . 3.640 2.614 2.237 2.854 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 16 GLN HA 1 16 GLN QG 2.830 . 3.960 3.224 2.996 3.430 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 16 GLN HA 1 17 LYS H 3.220 . 4.740 3.529 3.491 3.564 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 16 GLN HA 1 19 GLU H 2.970 . 4.240 3.739 3.159 4.151 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 16 GLN HA 1 19 GLU HB2 3.130 . 4.560 4.545 4.355 4.629 0.069 7 0 "[ . 1 . 2 . 3]" 1
207 1 16 GLN HA 1 19 GLU HB3 3.150 . 4.590 4.118 2.907 4.630 0.040 25 0 "[ . 1 . 2 . 3]" 1
208 1 16 GLN HB2 1 17 LYS H 2.910 . 4.120 3.783 2.815 4.179 0.059 14 0 "[ . 1 . 2 . 3]" 1
209 1 16 GLN HB3 1 17 LYS H 3.080 . 4.460 3.620 3.099 4.194 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 16 GLN HE21 1 85 MET ME 3.850 . 6.000 4.636 3.695 5.024 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 16 GLN HE22 1 85 MET ME 3.850 . 6.000 4.303 3.272 5.006 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 17 LYS H 1 17 LYS HA 2.720 . 3.740 2.782 2.694 2.900 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 17 LYS H 1 17 LYS QB 2.670 . 3.640 2.333 2.070 2.677 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 17 LYS H 1 17 LYS QD 2.770 . 3.850 3.321 2.862 3.520 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 17 LYS HA 1 17 LYS QB 2.650 . 3.610 2.435 2.189 2.541 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 17 LYS HA 1 17 LYS QD 3.000 . 4.300 2.449 1.829 3.641 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 17 LYS HA 1 20 PHE H 3.040 . 4.380 3.780 3.348 4.332 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 17 LYS HA 1 20 PHE QB 2.970 . 4.240 2.622 2.263 3.434 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 17 LYS HA 1 20 PHE QD 3.850 . 6.000 3.195 2.194 4.061 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 17 LYS HA 1 78 LEU QD 3.850 . 6.000 4.170 3.338 4.456 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 17 LYS QB 1 17 LYS QD 2.640 . 3.580 2.223 1.879 2.826 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 17 LYS QB 1 17 LYS QE 3.330 . 4.960 2.862 1.809 3.711 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 17 LYS QB 1 18 ASN H 2.670 . 3.640 2.592 2.168 3.318 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 17 LYS QD 1 78 LEU QD 3.810 . 5.910 3.624 3.051 3.940 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 17 LYS QE 1 17 LYS QG 3.180 . 4.660 2.142 1.880 2.872 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 18 ASN H 1 18 ASN HA 2.710 . 3.710 2.824 2.705 2.921 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 18 ASN H 1 18 ASN HB2 2.600 . 3.500 2.436 2.256 2.687 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 18 ASN H 1 18 ASN HB3 2.700 . 3.700 3.592 3.541 3.633 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 18 ASN H 1 18 ASN HD21 3.400 . 5.100 3.712 2.982 4.282 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 18 ASN H 1 18 ASN HD22 3.630 . 5.560 4.173 3.740 4.565 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 18 ASN H 1 19 GLU H 2.690 . 3.690 2.949 2.595 3.216 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 18 ASN HA 1 18 ASN HB2 2.790 . 3.870 3.018 2.975 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 18 ASN HA 1 18 ASN HB3 2.660 . 3.620 2.527 2.373 2.684 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 18 ASN HA 1 19 GLU H 3.130 . 4.560 3.560 3.488 3.581 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 18 ASN HA 1 21 LYS H 2.650 . 3.590 3.504 3.233 3.607 0.017 28 0 "[ . 1 . 2 . 3]" 1
236 1 18 ASN HA 1 21 LYS QB 3.030 . 4.360 3.076 2.419 3.675 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 18 ASN HA 1 21 LYS QG 3.390 . 5.080 2.729 1.884 3.434 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 18 ASN HA 1 22 ALA H 3.350 . 5.000 4.264 3.314 4.981 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 18 ASN HB2 1 18 ASN HD22 3.850 . 6.000 3.558 3.508 3.644 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 18 ASN HB2 1 19 GLU H 2.930 . 4.160 2.144 1.856 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 18 ASN HB2 1 19 GLU HB3 3.310 . 4.920 4.408 4.060 4.927 0.007 14 0 "[ . 1 . 2 . 3]" 1
242 1 18 ASN HB3 1 18 ASN HD22 3.850 . 6.000 3.833 3.698 3.998 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 18 ASN HB3 1 19 GLU H 3.000 . 4.290 2.982 2.612 3.892 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 19 GLU H 1 19 GLU HA 2.870 . 4.040 2.732 2.691 2.883 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 19 GLU H 1 19 GLU HB2 2.810 . 3.910 3.610 3.526 3.635 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 19 GLU H 1 19 GLU HB3 2.710 . 3.710 2.653 2.237 2.936 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 19 GLU H 1 19 GLU QG 3.000 . 4.290 2.009 1.830 2.722 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 19 GLU H 1 20 PHE H 2.620 . 3.540 2.845 2.513 2.992 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 19 GLU HA 1 19 GLU HB2 2.730 . 3.760 2.539 2.287 2.683 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 19 GLU HA 1 19 GLU HB3 2.670 . 3.650 2.396 2.288 2.676 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 19 GLU HA 1 19 GLU QG 3.000 . 4.300 3.289 3.234 3.362 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 19 GLU HA 1 20 PHE H 3.270 . 4.830 3.505 3.462 3.555 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 19 GLU HA 1 22 ALA MB 3.080 . 4.460 2.712 2.207 3.250 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 19 GLU HB2 1 19 GLU QG 2.660 . 3.620 2.387 2.169 2.548 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 19 GLU HB2 1 20 PHE H 2.710 . 3.730 3.680 3.440 3.846 0.116 28 0 "[ . 1 . 2 . 3]" 1
256 1 19 GLU HB3 1 20 PHE H 3.220 . 4.740 4.049 3.432 4.249 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 20 PHE H 1 20 PHE HA 2.750 . 3.790 2.842 2.772 2.908 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 20 PHE H 1 20 PHE QB 2.630 . 3.560 2.121 2.063 2.308 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 20 PHE H 1 20 PHE QD 3.400 . 5.100 3.770 3.164 4.123 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 20 PHE H 1 21 LYS H 2.600 . 3.500 2.768 2.591 2.991 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 20 PHE HA 1 20 PHE QD 3.190 . 4.680 2.001 1.819 2.420 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 20 PHE HA 1 23 ALA H 3.060 . 4.420 3.600 3.220 3.912 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 20 PHE HA 1 23 ALA MB 3.140 . 4.580 3.164 2.376 3.791 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 20 PHE QB 1 21 LYS H 2.770 . 3.840 2.335 2.050 2.830 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 20 PHE QD 1 23 ALA MB 3.120 . 4.540 3.189 2.570 3.399 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 20 PHE QD 1 78 LEU QD 3.850 . 6.000 3.109 2.256 3.918 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 21 LYS H 1 21 LYS QB 2.900 . 4.100 2.594 2.407 2.695 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 21 LYS H 1 21 LYS QG 2.460 . 3.220 2.117 1.954 2.510 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 21 LYS H 1 22 ALA H 2.750 . 3.790 2.828 2.461 3.047 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 21 LYS H 1 22 ALA MB 3.850 . 6.000 4.430 4.167 4.570 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 21 LYS H 1 24 PHE QD 3.250 . 4.800 4.187 3.802 4.324 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 21 LYS HA 1 21 LYS QE 3.700 . 5.700 4.319 2.949 5.010 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 21 LYS HA 1 24 PHE H 3.040 . 4.380 3.218 2.865 3.472 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 21 LYS HA 1 24 PHE QB 3.380 . 5.060 2.031 1.755 2.751 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 21 LYS HA 1 24 PHE QD 3.620 . 5.540 2.398 1.835 3.483 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 21 LYS HA 1 25 ASP H 3.360 . 5.020 4.542 3.776 4.908 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 21 LYS QB 1 22 ALA H 3.330 . 4.960 2.566 2.224 2.891 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 21 LYS QG 1 22 ALA H 3.040 . 4.380 3.894 3.727 3.997 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 21 LYS QG 1 78 LEU QD 3.850 . 6.000 3.963 3.834 3.999 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 22 ALA H 1 22 ALA HA 2.500 . 3.300 2.780 2.703 2.861 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 22 ALA H 1 22 ALA MB 2.900 . 4.090 2.190 2.055 2.288 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 22 ALA HA 1 22 ALA MB 2.440 . 3.190 2.131 2.103 2.146 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 22 ALA HA 1 25 ASP H 2.830 . 3.970 3.578 3.416 3.830 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 22 ALA HA 1 25 ASP HB2 2.500 . 3.290 3.108 2.579 3.305 0.015 29 0 "[ . 1 . 2 . 3]" 1
285 1 22 ALA HA 1 26 ILE MD 3.140 . 4.580 3.846 3.781 3.892 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 22 ALA MB 1 23 ALA H 3.290 . 4.880 2.301 1.865 2.980 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 22 ALA MB 1 25 ASP HB2 3.850 . 6.000 4.384 4.054 4.583 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 22 ALA MB 2 8 MET ME 4.000 . 6.000 3.812 2.894 4.159 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 22 ALA MB 2 8 MET QG 4.000 . 6.000 4.363 4.019 4.477 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 22 ALA MB 2 11 LEU HA 4.000 . 6.000 3.863 2.872 4.832 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 22 ALA MB 2 11 LEU QD 4.000 . 6.000 2.034 1.655 2.643 0.345 21 0 "[ . 1 . 2 . 3]" 1
292 1 23 ALA H 1 23 ALA HA 2.600 . 3.500 2.832 2.753 2.926 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 23 ALA H 1 23 ALA MB 2.650 . 3.600 2.155 2.050 2.327 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 23 ALA H 1 24 PHE H 2.690 . 3.680 2.565 2.196 2.770 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 23 ALA H 1 25 ASP H 3.360 . 5.020 4.097 3.826 4.269 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 23 ALA HA 1 23 ALA MB 2.450 . 3.200 2.121 2.098 2.144 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 23 ALA HA 1 26 ILE H 2.890 . 4.080 3.489 3.070 3.869 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 23 ALA HA 1 26 ILE HB 2.810 . 3.910 3.542 2.726 3.908 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 23 ALA HA 1 26 ILE MD 2.860 . 4.020 2.842 2.007 2.990 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 23 ALA HA 1 26 ILE MG 3.400 . 5.090 4.122 4.013 4.261 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 23 ALA MB 1 24 PHE H 2.960 . 4.210 2.850 2.532 3.073 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 23 ALA MB 1 26 ILE MD 3.850 . 6.000 4.120 3.538 4.210 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 23 ALA MB 2 11 LEU QB 4.000 . 6.000 4.241 3.902 4.463 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 23 ALA MB 2 11 LEU QD 4.000 . 6.000 1.892 1.646 2.962 0.354 19 0 "[ . 1 . 2 . 3]" 1
305 1 24 PHE H 1 24 PHE HA 2.810 . 3.920 2.838 2.766 2.881 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 24 PHE H 1 24 PHE QB 2.690 . 3.690 2.152 2.065 2.661 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 24 PHE H 1 26 ILE H 3.000 . 4.290 3.980 3.856 4.232 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 24 PHE HA 1 24 PHE QD 3.210 . 4.720 2.423 1.845 2.986 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 24 PHE HA 1 24 PHE QE 3.750 . 5.800 4.243 3.968 4.747 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 24 PHE HA 1 25 ASP H 3.120 . 4.540 3.472 3.427 3.532 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 24 PHE HA 1 26 ILE H 3.230 . 4.760 3.565 3.356 4.191 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 24 PHE HA 1 27 PHE H 3.430 . 5.160 3.474 2.995 3.995 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 24 PHE HA 1 27 PHE QB 3.040 . 4.380 3.123 1.985 3.975 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 24 PHE QB 1 25 ASP H 2.830 . 3.960 2.909 2.697 3.100 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 24 PHE QB 1 74 PHE QD 3.660 . 5.620 3.869 3.101 4.410 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 24 PHE QD 1 74 PHE HA 3.490 . 5.280 4.249 3.197 4.730 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 24 PHE QE 1 36 ILE MD 3.850 . 6.000 3.715 2.212 4.470 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 25 ASP H 1 25 ASP HA 2.710 . 3.710 2.896 2.822 2.914 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 25 ASP H 1 25 ASP HB2 2.420 . 3.150 2.188 2.099 2.391 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 25 ASP H 1 25 ASP HB3 2.750 . 3.810 3.425 3.224 3.610 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 25 ASP H 1 26 ILE H 2.690 . 3.680 2.534 2.372 2.703 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 25 ASP HA 1 25 ASP HB2 2.750 . 3.810 2.945 2.851 3.025 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 25 ASP HA 1 25 ASP HB3 2.670 . 3.650 2.719 2.519 2.853 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 25 ASP HA 1 26 ILE H 3.130 . 4.560 3.279 3.138 3.510 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 25 ASP HA 1 28 VAL H 3.040 . 4.370 4.064 3.760 4.362 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 25 ASP HA 1 28 VAL QG 3.050 . 4.400 2.944 2.511 3.275 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 25 ASP HB2 1 26 ILE H 3.000 . 4.290 3.692 2.796 4.048 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 25 ASP HB3 1 26 ILE H 3.100 . 4.500 3.948 3.234 4.256 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 26 ILE H 1 26 ILE HA 2.610 . 3.520 2.949 2.917 2.958 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 26 ILE H 1 26 ILE HB 2.500 . 3.290 2.994 2.351 3.236 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 26 ILE H 1 26 ILE MD 3.600 . 5.500 2.798 1.840 3.190 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 26 ILE H 1 26 ILE QG 2.730 . 3.760 2.055 1.807 3.393 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 26 ILE H 1 26 ILE MG 3.270 . 4.830 3.791 3.715 3.844 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 26 ILE H 1 27 PHE H 2.920 . 4.130 2.139 1.901 2.503 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 26 ILE H 1 44 VAL QG 3.500 . 5.290 3.906 3.713 3.979 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 26 ILE HA 1 26 ILE HB 2.720 . 3.740 2.946 2.888 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 26 ILE HA 1 26 ILE MD 2.980 . 4.250 2.472 2.081 3.076 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 26 ILE HA 1 26 ILE QG 2.640 . 3.580 3.099 2.212 3.300 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 26 ILE HA 1 26 ILE MG 2.690 . 3.680 2.020 1.875 2.429 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 26 ILE HA 1 27 PHE H 3.040 . 4.380 3.540 3.484 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 26 ILE HA 1 29 LEU H 3.100 . 4.500 3.297 2.999 3.512 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 26 ILE HA 1 29 LEU HA 3.190 . 4.680 3.972 3.634 4.216 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 26 ILE HA 1 29 LEU QD 3.600 . 5.500 2.689 1.981 3.844 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 26 ILE HA 1 29 LEU HG 3.090 . 4.480 4.299 3.495 4.590 0.110 12 0 "[ . 1 . 2 . 3]" 1
345 1 26 ILE HB 1 26 ILE MD 2.820 . 3.940 3.045 2.096 3.197 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 26 ILE HB 1 27 PHE H 2.880 . 4.050 2.620 1.989 2.958 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 26 ILE MD 1 29 LEU HB2 3.430 . 5.160 4.298 4.039 4.351 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 26 ILE MD 2 10 ALA HA 4.000 . 6.000 5.003 4.863 5.040 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 26 ILE MD 2 11 LEU QD 4.000 . 6.000 2.203 1.571 2.763 0.429 27 0 "[ . 1 . 2 . 3]" 1
350 1 26 ILE MD 2 14 ALA MB 4.000 . 6.000 3.547 2.093 4.167 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 26 ILE QG 1 26 ILE MG 2.870 . 4.040 2.308 1.995 2.420 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 26 ILE MG 1 27 PHE H 3.350 . 5.000 3.907 3.406 4.171 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 26 ILE MG 1 29 LEU HB2 3.200 . 4.700 3.926 3.777 3.959 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 26 ILE MG 2 10 ALA HA 4.000 . 6.000 4.405 4.018 4.919 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 26 ILE MG 2 11 LEU QD 4.000 . 6.000 3.093 2.643 3.730 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 27 PHE H 1 27 PHE QB 3.120 . 4.540 2.437 2.219 2.780 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 27 PHE H 1 27 PHE QD 3.830 . 5.960 2.534 1.864 3.194 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 27 PHE H 1 28 VAL H 3.080 . 4.460 2.701 2.499 2.897 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 27 PHE HA 1 27 PHE QD 3.440 . 5.170 2.581 1.858 3.676 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 27 PHE HA 1 44 VAL QG 3.160 . 4.620 2.041 1.709 3.184 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 27 PHE QB 1 27 PHE QD 2.910 . 4.120 2.190 2.137 2.290 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 27 PHE QB 1 28 VAL H 2.960 . 4.220 2.777 2.226 3.781 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 27 PHE QB 1 28 VAL QG 3.730 . 5.760 2.663 2.239 3.408 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 27 PHE QB 1 36 ILE MD 3.230 . 4.760 2.382 1.861 3.273 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 27 PHE QD 1 36 ILE MD 3.460 . 5.220 2.456 1.786 3.543 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 27 PHE QD 1 36 ILE MG 3.850 . 6.000 2.802 1.824 3.759 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 27 PHE QD 1 44 VAL QG 3.850 . 6.000 2.324 1.703 3.953 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 28 VAL H 1 28 VAL HA 2.800 . 3.900 2.953 2.927 2.963 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 28 VAL H 1 28 VAL HB 3.020 . 4.330 3.752 3.575 3.934 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 28 VAL H 1 28 VAL QG 2.740 . 3.780 2.027 1.831 2.231 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 28 VAL H 1 29 LEU H 2.700 . 3.700 2.542 2.031 2.828 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 28 VAL H 1 29 LEU HA 3.060 . 4.410 4.310 4.031 4.460 0.050 21 0 "[ . 1 . 2 . 3]" 1
373 1 28 VAL HA 1 28 VAL HB 2.660 . 3.620 2.486 2.371 2.665 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 28 VAL HA 1 28 VAL QG 2.880 . 4.060 2.265 2.005 2.430 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 28 VAL HA 1 29 LEU H 2.940 . 4.170 2.907 2.745 3.110 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 28 VAL HA 1 31 ALA H 3.310 . 4.920 3.339 2.571 4.928 0.008 10 0 "[ . 1 . 2 . 3]" 1
377 1 28 VAL HA 1 31 ALA MB 2.950 . 4.200 2.325 1.952 2.801 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 28 VAL HA 1 40 GLU QG 3.120 . 4.540 3.219 2.224 3.895 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 28 VAL HB 1 31 ALA H 3.510 . 5.320 3.469 2.957 4.218 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 28 VAL HB 1 31 ALA MB 3.000 . 4.300 1.997 1.714 2.678 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 28 VAL HB 1 34 GLY H 3.850 . 6.000 4.658 4.184 5.374 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 28 VAL HB 1 35 CYS H 3.290 . 4.870 3.603 2.742 4.684 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 28 VAL QG 1 29 LEU H 3.350 . 5.000 3.328 2.983 3.557 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 28 VAL QG 1 31 ALA H 3.850 . 6.000 3.784 3.202 4.268 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 28 VAL QG 1 31 ALA MB 3.550 . 5.400 2.386 1.797 2.705 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 28 VAL QG 1 34 GLY H 3.500 . 5.300 3.732 3.466 3.947 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 28 VAL QG 1 34 GLY QA 3.540 . 5.370 1.935 1.695 2.230 0.005 30 0 "[ . 1 . 2 . 3]" 1
388 1 28 VAL QG 1 35 CYS H 3.800 . 5.900 2.527 1.873 2.942 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 28 VAL QG 1 35 CYS HA 3.080 . 4.460 3.209 2.895 3.370 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 28 VAL QG 1 36 ILE H 3.640 . 5.580 3.503 2.866 4.048 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 28 VAL QG 1 36 ILE HA 3.270 . 4.830 2.771 2.017 3.439 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 28 VAL QG 1 36 ILE MD 3.850 . 6.000 3.396 2.816 3.719 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 28 VAL QG 1 36 ILE QG 3.160 . 4.620 2.261 1.737 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 28 VAL QG 1 36 ILE MG 3.850 . 6.000 3.370 2.766 3.694 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 29 LEU H 1 29 LEU HA 2.620 . 3.540 2.819 2.700 2.876 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 29 LEU H 1 29 LEU HB2 2.750 . 3.810 3.514 3.221 3.617 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 29 LEU H 1 29 LEU HB3 2.600 . 3.500 2.256 2.054 2.464 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 29 LEU H 1 29 LEU QD 3.850 . 6.000 2.784 1.802 3.529 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 29 LEU H 1 29 LEU HG 3.110 . 4.520 3.133 2.369 4.305 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 29 LEU H 1 30 GLY H 3.470 . 5.240 2.989 2.490 4.549 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 29 LEU HA 1 29 LEU HB2 2.700 . 3.700 2.314 2.244 2.375 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 29 LEU HA 1 29 LEU HB3 2.680 . 3.660 2.652 2.554 2.841 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 29 LEU HA 1 29 LEU QD 3.330 . 4.960 3.172 2.697 3.367 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 29 LEU HA 1 29 LEU HG 3.200 . 4.700 3.611 3.234 4.249 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 29 LEU HA 1 30 GLY H 2.480 . 3.260 3.097 2.128 3.386 0.126 27 0 "[ . 1 . 2 . 3]" 1
406 1 29 LEU HB2 1 29 LEU HG 2.660 . 3.620 2.848 2.448 3.024 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 29 LEU HB2 1 30 GLY H 3.850 . 6.000 4.247 3.336 4.518 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 29 LEU HB3 1 30 GLY H 3.850 . 6.000 4.120 3.595 4.617 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 29 LEU QD 1 30 GLY H 3.850 . 6.000 3.170 1.824 4.054 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 29 LEU QD 1 43 LYS QB 3.850 . 6.000 3.033 1.932 3.757 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 30 GLY H 1 30 GLY QA 2.580 . 3.460 2.389 2.210 2.493 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 30 GLY H 1 31 ALA H 2.910 . 4.120 2.182 1.801 2.820 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 30 GLY H 1 31 ALA MB 3.850 . 6.000 3.565 3.256 4.293 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 30 GLY QA 1 31 ALA H 2.710 . 3.720 2.816 2.668 2.923 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 31 ALA H 1 31 ALA HA 2.540 . 3.370 2.894 2.712 2.963 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 31 ALA H 1 31 ALA MB 2.560 . 3.410 2.221 2.064 2.370 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 31 ALA HA 1 31 ALA MB 2.440 . 3.170 2.118 2.098 2.143 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 31 ALA HA 1 32 GLU H 2.290 . 2.880 2.479 2.228 2.784 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 31 ALA HA 1 32 GLU QB 3.160 . 4.620 4.157 4.106 4.230 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 31 ALA HA 1 33 ASP H 3.700 . 5.700 4.654 3.939 5.427 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 31 ALA MB 1 32 GLU H 3.060 . 4.420 2.304 1.830 2.774 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 31 ALA MB 1 32 GLU QB 3.490 . 5.280 3.812 3.647 3.931 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 31 ALA MB 1 33 ASP H 3.540 . 5.380 2.870 2.145 3.941 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 31 ALA MB 1 34 GLY H 3.160 . 4.620 3.768 3.421 3.867 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 31 ALA MB 1 34 GLY QA 3.310 . 4.910 3.268 2.964 3.551 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 31 ALA MB 1 35 CYS H 2.900 . 4.100 2.745 2.030 3.245 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 31 ALA MB 1 40 GLU QB 3.850 . 6.000 4.256 3.839 4.466 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 31 ALA MB 1 40 GLU QG 3.040 . 4.370 3.109 2.606 3.258 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 32 GLU H 1 32 GLU HA 3.000 . 4.300 2.869 2.711 2.944 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 32 GLU H 1 32 GLU QB 2.770 . 3.830 2.200 2.047 2.381 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 32 GLU H 1 32 GLU QG 3.230 . 4.750 3.830 3.151 4.065 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 32 GLU H 1 33 ASP H 2.970 . 4.240 2.596 2.102 3.320 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 32 GLU HA 1 32 GLU QB 2.650 . 3.590 2.487 2.328 2.539 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 32 GLU HA 1 32 GLU QG 2.850 . 4.000 2.106 1.907 2.435 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 32 GLU HA 1 33 ASP H 3.100 . 4.500 3.534 3.349 3.575 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 32 GLU QB 1 33 ASP H 3.190 . 4.670 2.441 1.857 3.253 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 32 GLU QB 1 33 ASP HA 3.620 . 5.540 4.174 3.671 4.586 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 32 GLU QG 1 33 ASP H 3.790 . 5.880 4.071 2.859 4.699 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 33 ASP H 1 33 ASP HB2 3.230 . 4.760 3.583 3.271 3.803 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 33 ASP H 1 33 ASP HB3 3.120 . 4.540 3.474 2.876 3.991 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 33 ASP H 1 34 GLY H 2.890 . 4.080 2.885 2.444 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 33 ASP H 1 34 GLY QA 3.850 . 6.000 4.217 3.961 4.884 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 33 ASP H 1 35 CYS H 3.310 . 4.910 3.470 2.795 4.806 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 33 ASP HA 1 33 ASP HB2 2.660 . 3.620 2.699 2.629 2.854 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 34 GLY H 1 34 GLY QA 2.500 . 3.310 2.489 2.441 2.506 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 34 GLY H 1 35 CYS H 3.830 . 5.960 2.192 1.874 2.722 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 34 GLY H 1 73 ASP HA 3.020 . 4.340 4.361 4.281 4.415 0.075 26 0 "[ . 1 . 2 . 3]" 1
448 1 34 GLY QA 1 35 CYS H 2.730 . 3.770 2.722 2.520 2.846 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 35 CYS H 1 35 CYS HA 2.690 . 3.690 2.940 2.888 2.961 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 35 CYS H 1 35 CYS HB2 2.650 . 3.610 2.856 2.410 3.635 0.025 22 0 "[ . 1 . 2 . 3]" 1
451 1 35 CYS H 1 35 CYS HB3 2.960 . 4.210 3.616 2.957 3.824 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 35 CYS H 1 36 ILE H 3.490 . 5.280 4.498 4.365 4.588 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 35 CYS HA 1 35 CYS HB2 2.710 . 3.710 2.942 2.520 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 35 CYS HA 1 35 CYS HB3 2.690 . 3.690 2.374 2.271 2.570 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 35 CYS HA 1 36 ILE H 2.540 . 3.380 2.212 2.129 2.372 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 35 CYS HA 1 73 ASP HA 3.060 . 4.420 2.203 1.871 2.759 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 35 CYS HB2 1 36 ILE H 2.850 . 4.000 3.713 2.482 4.043 0.043 6 0 "[ . 1 . 2 . 3]" 1
458 1 35 CYS HB2 1 71 THR HB 2.770 . 3.850 2.798 1.829 3.635 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 35 CYS HB2 1 71 THR MG 3.710 . 5.710 3.007 1.877 4.012 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 35 CYS HB3 1 36 ILE H 2.710 . 3.730 3.205 2.569 3.808 0.078 19 0 "[ . 1 . 2 . 3]" 1
461 1 35 CYS HB3 1 71 THR HB 2.790 . 3.880 2.185 1.833 3.561 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 35 CYS HB3 1 71 THR MG 3.530 . 5.360 3.157 1.916 4.448 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 35 CYS HB3 1 72 VAL H 2.980 . 4.250 3.143 2.313 4.254 0.004 15 0 "[ . 1 . 2 . 3]" 1
464 1 36 ILE H 1 36 ILE HA 2.660 . 3.620 2.945 2.889 2.964 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 36 ILE H 1 36 ILE HB 2.620 . 3.540 2.735 2.502 3.087 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 36 ILE H 1 36 ILE MD 3.850 . 6.000 3.574 2.930 4.052 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 36 ILE H 1 36 ILE QG 2.670 . 3.640 2.185 1.861 2.634 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 36 ILE H 1 36 ILE MG 3.850 . 6.000 3.829 3.764 3.888 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 36 ILE H 1 72 VAL H 2.830 . 3.960 2.034 1.835 2.532 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 36 ILE H 1 72 VAL HA 2.860 . 4.020 3.909 3.733 4.052 0.032 15 0 "[ . 1 . 2 . 3]" 1
471 1 36 ILE H 1 72 VAL HB 2.830 . 3.960 2.535 1.915 3.134 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 36 ILE H 1 72 VAL QG 3.850 . 6.000 3.170 2.673 3.489 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 36 ILE HA 1 36 ILE HB 2.810 . 3.930 3.008 2.952 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 36 ILE HA 1 36 ILE MD 3.850 . 6.000 3.865 3.691 3.969 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 36 ILE HA 1 36 ILE QG 2.620 . 3.540 2.574 2.364 2.764 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 36 ILE HA 1 36 ILE MG 3.120 . 4.540 2.178 2.052 2.385 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 36 ILE HA 1 37 SER H 2.250 . 2.810 2.269 2.136 2.470 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 36 ILE HA 1 40 GLU QB 2.640 . 3.580 2.946 2.399 3.213 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 36 ILE HB 1 36 ILE MD 2.960 . 4.220 2.267 1.912 2.616 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 36 ILE HB 1 72 VAL H 2.750 . 3.810 3.368 2.889 3.848 0.038 15 0 "[ . 1 . 2 . 3]" 1
481 1 36 ILE HB 1 72 VAL HB 2.360 . 3.030 2.112 1.862 3.027 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 36 ILE HB 1 72 VAL QG 3.430 . 5.160 2.300 1.865 3.118 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 36 ILE MD 1 36 ILE MG 3.460 . 5.210 2.033 1.571 2.698 0.129 15 0 "[ . 1 . 2 . 3]" 1
484 1 36 ILE MD 1 41 LEU QD 3.850 . 6.000 3.281 2.569 3.685 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 36 ILE MD 1 72 VAL HB 3.320 . 4.940 2.484 1.751 3.322 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 36 ILE MD 1 72 VAL QG 3.850 . 6.000 2.583 1.862 3.333 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 36 ILE MD 1 77 PHE QD 3.850 . 6.000 2.216 1.761 3.225 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 36 ILE MG 1 37 SER H 3.600 . 5.500 2.690 1.788 3.656 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 36 ILE MG 1 37 SER HA 3.850 . 6.000 4.160 3.385 4.894 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 36 ILE MG 1 40 GLU H 3.850 . 6.000 4.606 4.003 5.011 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 36 ILE MG 1 40 GLU QB 3.530 . 5.360 2.735 2.035 3.382 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 36 ILE MG 1 41 LEU H 3.850 . 6.000 3.027 2.181 3.975 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 36 ILE MG 1 41 LEU HA 3.850 . 6.000 2.857 2.468 3.525 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 36 ILE MG 1 41 LEU QD 3.850 . 6.000 2.299 1.630 2.791 0.070 2 0 "[ . 1 . 2 . 3]" 1
495 1 36 ILE MG 1 61 ILE MD 3.850 . 6.000 3.320 2.731 3.907 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 36 ILE MG 1 72 VAL H 3.850 . 6.000 4.553 4.143 5.007 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 36 ILE MG 1 72 VAL HB 3.850 . 6.000 3.750 3.449 4.334 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 37 SER H 1 37 SER HA 2.990 . 4.280 2.916 2.814 2.960 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 37 SER H 1 37 SER QB 2.740 . 3.780 2.556 2.088 3.102 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 37 SER H 1 40 GLU H 2.980 . 4.260 3.631 3.138 4.277 0.017 23 0 "[ . 1 . 2 . 3]" 1
501 1 37 SER H 1 40 GLU QB 2.880 . 4.060 2.050 1.728 2.460 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 37 SER H 1 40 GLU QG 3.100 . 4.500 3.449 2.781 4.006 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 37 SER HA 1 38 THR H 2.690 . 3.670 2.407 2.175 2.796 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 37 SER HA 1 61 ILE MD 3.200 . 4.700 3.749 2.999 3.930 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 37 SER HA 1 71 THR HA 3.130 . 4.560 2.935 2.469 3.480 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 37 SER HA 1 71 THR HB 3.370 . 5.040 4.370 3.359 5.057 0.017 29 0 "[ . 1 . 2 . 3]" 1
507 1 37 SER HA 1 71 THR MG 3.130 . 4.560 2.825 2.213 3.757 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 37 SER QB 1 38 THR H 2.810 . 3.920 2.828 1.917 3.507 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 37 SER QB 1 71 THR MG 3.150 . 4.590 2.675 1.988 3.410 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 38 THR H 1 38 THR HA 2.820 . 3.940 2.783 2.704 2.909 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 38 THR H 1 38 THR HB 2.780 . 3.860 3.579 3.553 3.632 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 38 THR H 1 38 THR MG 2.770 . 3.840 1.858 1.788 2.101 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 38 THR H 1 39 LYS H 2.930 . 4.160 2.771 2.317 3.257 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 38 THR H 1 61 ILE MD 3.710 . 5.710 3.855 3.202 4.496 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 38 THR HA 1 38 THR HB 2.670 . 3.630 2.355 2.307 2.458 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 38 THR HA 1 38 THR MG 2.620 . 3.540 2.496 2.401 2.586 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 38 THR HA 1 39 LYS H 3.330 . 4.950 3.522 3.435 3.571 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 38 THR HA 1 41 LEU H 3.430 . 5.160 3.965 3.389 4.584 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 38 THR HA 1 41 LEU QB 2.850 . 4.000 3.091 2.418 3.578 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 38 THR HA 1 41 LEU QD 3.850 . 6.000 3.789 3.062 4.378 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 38 THR HA 1 57 LEU QD 3.700 . 5.700 3.085 2.597 3.529 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 38 THR HA 1 61 ILE MD 3.000 . 4.300 3.028 2.509 3.491 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 38 THR HB 1 57 LEU HB2 3.060 . 4.410 2.568 1.929 3.169 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 38 THR HB 1 57 LEU HB3 2.890 . 4.080 2.931 2.166 3.880 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 38 THR HB 1 57 LEU QD 3.600 . 5.500 3.487 2.821 3.985 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 38 THR HB 1 61 ILE MD 3.850 . 6.000 4.459 3.932 4.738 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 38 THR MG 1 39 LYS H 2.960 . 4.220 3.519 3.426 3.571 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 38 THR MG 1 58 GLN H 3.450 . 5.200 3.221 2.582 3.836 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 38 THR MG 1 58 GLN HA 3.120 . 4.540 1.924 1.710 2.272 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 38 THR MG 1 58 GLN QB 3.360 . 5.020 2.336 1.838 2.952 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 38 THR MG 1 58 GLN QG 3.850 . 6.000 3.180 1.902 3.845 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 38 THR MG 1 61 ILE HB 2.790 . 3.870 3.227 3.124 3.271 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 38 THR MG 1 61 ILE MD 3.230 . 4.760 3.067 2.618 3.318 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 38 THR MG 1 61 ILE QG 3.220 . 4.740 2.136 1.709 2.972 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 38 THR MG 1 61 ILE MG 3.850 . 6.000 3.374 2.582 3.907 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 39 LYS H 1 39 LYS HA 2.700 . 3.700 2.876 2.730 2.920 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 39 LYS H 1 39 LYS QB 2.770 . 3.850 2.270 2.094 2.735 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 39 LYS H 1 39 LYS QG 3.330 . 4.950 3.169 1.931 4.047 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 39 LYS H 1 40 GLU H 2.650 . 3.590 2.547 2.285 3.195 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 39 LYS HA 1 39 LYS QG 3.170 . 4.640 2.209 1.925 3.246 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 39 LYS HA 1 40 GLU H 2.730 . 3.760 3.514 3.388 3.571 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 39 LYS HA 1 42 GLY H 3.340 . 4.980 3.653 3.186 4.421 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 39 LYS QB 1 40 GLU H 2.960 . 4.220 2.626 1.878 3.375 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 39 LYS QB 1 40 GLU HA 3.180 . 4.660 3.858 3.583 4.078 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 39 LYS QG 1 40 GLU H 3.430 . 5.160 4.069 2.027 4.615 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 40 GLU H 1 40 GLU HA 2.750 . 3.790 2.819 2.703 2.912 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 40 GLU H 1 40 GLU QB 2.760 . 3.820 2.183 2.070 2.583 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 40 GLU H 1 40 GLU QG 3.200 . 4.700 3.404 1.855 4.081 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 40 GLU H 1 41 LEU H 2.800 . 3.900 2.716 2.300 3.216 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 40 GLU HA 1 40 GLU QG 3.100 . 4.500 2.341 1.896 2.856 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 40 GLU HA 1 43 LYS H 3.160 . 4.620 3.765 3.488 4.120 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 40 GLU HA 1 43 LYS QB 3.290 . 4.880 3.299 2.393 4.228 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 41 LEU H 1 41 LEU HA 2.680 . 3.660 2.810 2.679 2.918 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 41 LEU H 1 41 LEU QB 2.910 . 4.120 2.265 2.081 2.371 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 41 LEU H 1 42 GLY H 3.140 . 4.580 2.741 2.325 3.169 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 41 LEU H 1 43 LYS H 3.850 . 6.000 4.088 3.809 4.638 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 41 LEU HA 1 41 LEU QD 2.710 . 3.730 1.918 1.750 2.149 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 41 LEU HA 1 42 GLY H 2.970 . 4.240 3.543 3.486 3.571 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 41 LEU HA 1 44 VAL H 3.020 . 4.330 3.412 3.099 4.204 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 41 LEU HA 1 44 VAL HB 2.710 . 3.710 3.455 2.687 3.743 0.033 18 0 "[ . 1 . 2 . 3]" 1
561 1 41 LEU HA 1 44 VAL QG 3.020 . 4.340 2.988 2.513 3.232 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 41 LEU QB 1 42 GLY H 3.310 . 4.920 2.476 2.031 2.884 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 41 LEU QB 1 57 LEU QD 2.910 . 4.120 2.136 1.555 2.636 0.145 16 0 "[ . 1 . 2 . 3]" 1
564 1 41 LEU QD 1 42 GLY H 3.850 . 6.000 3.734 3.308 4.012 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 41 LEU QD 1 44 VAL HB 3.430 . 5.160 2.576 1.926 3.564 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 41 LEU QD 1 44 VAL QG 3.850 . 6.000 2.681 1.753 3.198 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 41 LEU QD 1 45 MET ME 3.850 . 6.000 3.427 2.884 3.727 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 41 LEU QD 1 45 MET QG 3.480 . 5.260 2.407 1.932 3.031 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 41 LEU QD 1 60 MET HB2 3.110 . 4.520 3.252 2.586 3.373 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 41 LEU QD 1 60 MET ME 3.790 . 5.880 2.325 1.786 2.926 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 41 LEU HG 1 57 LEU QD 2.610 . 3.530 2.216 1.798 2.639 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 42 GLY H 1 42 GLY QA 2.540 . 3.370 2.201 2.194 2.221 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 42 GLY H 1 43 LYS H 3.020 . 4.330 2.816 2.548 2.965 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 42 GLY H 1 57 LEU QD 3.430 . 5.160 2.143 1.785 2.569 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 42 GLY QA 1 43 LYS H 2.620 . 3.540 2.799 2.586 2.910 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 42 GLY QA 1 45 MET QB 2.650 . 3.590 2.695 2.289 2.854 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 42 GLY QA 1 52 PRO QG 2.520 . 3.330 2.387 1.962 2.653 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 42 GLY QA 1 57 LEU QD 2.700 . 3.700 2.050 1.726 2.463 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 43 LYS H 1 43 LYS HA 2.880 . 4.050 2.832 2.713 2.904 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 43 LYS H 1 43 LYS QB 2.750 . 3.790 2.245 2.067 2.587 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 43 LYS H 1 43 LYS QG 3.850 . 6.000 3.178 1.902 4.076 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 43 LYS H 1 44 VAL H 2.710 . 3.710 2.697 2.326 3.322 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 43 LYS H 1 44 VAL QG 3.850 . 6.000 4.162 3.823 4.442 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 43 LYS HA 1 44 VAL H 3.570 . 5.440 3.541 3.477 3.574 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 43 LYS HA 1 46 ARG H 3.770 . 5.830 3.991 3.638 4.575 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 43 LYS HA 1 47 MET H 3.580 . 5.460 4.882 4.306 5.410 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 43 LYS QB 1 44 VAL H 2.980 . 4.260 2.548 2.005 3.406 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 44 VAL H 1 44 VAL HA 2.660 . 3.620 2.843 2.699 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 44 VAL H 1 44 VAL HB 2.370 . 3.040 2.515 2.277 2.798 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 44 VAL H 1 44 VAL QG 3.020 . 4.340 2.284 1.883 2.556 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 44 VAL H 1 45 MET H 2.580 . 3.460 2.728 2.380 3.157 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 44 VAL HA 1 44 VAL HB 2.730 . 3.750 2.977 2.639 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 44 VAL HA 1 44 VAL QG 2.560 . 3.420 2.041 1.978 2.144 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 44 VAL HA 1 45 MET H 2.960 . 4.220 3.565 3.533 3.581 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 44 VAL HA 1 46 ARG H 3.160 . 4.620 4.435 3.853 4.636 0.016 12 0 "[ . 1 . 2 . 3]" 1
596 1 44 VAL HA 1 47 MET H 2.870 . 4.040 3.407 3.118 3.819 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 44 VAL HA 1 47 MET HB2 3.040 . 4.370 2.948 2.147 3.506 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 44 VAL HA 1 47 MET HB3 3.240 . 4.780 4.367 3.334 4.786 0.006 2 0 "[ . 1 . 2 . 3]" 1
599 1 44 VAL HA 1 47 MET ME 3.580 . 5.460 3.034 1.922 3.696 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 44 VAL HB 1 45 MET H 2.540 . 3.380 2.423 2.002 3.479 0.099 3 0 "[ . 1 . 2 . 3]" 1
601 1 44 VAL HB 1 48 LEU QD 3.850 . 6.000 3.949 3.245 4.447 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 44 VAL QG 1 45 MET H 3.500 . 5.300 2.844 1.772 3.280 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 44 VAL QG 1 45 MET HA 3.690 . 5.670 3.301 2.641 3.772 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 44 VAL QG 1 45 MET ME 3.850 . 6.000 3.543 2.524 3.725 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 44 VAL QG 1 47 MET ME 3.850 . 6.000 3.086 2.270 3.694 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 44 VAL QG 1 48 LEU QD 3.850 . 6.000 2.073 1.537 2.404 0.163 1 0 "[ . 1 . 2 . 3]" 1
607 1 44 VAL QG 2 7 MET ME 4.000 . 6.000 3.318 1.754 3.714 0.246 5 0 "[ . 1 . 2 . 3]" 1
608 1 44 VAL QG 2 11 LEU QD 4.000 . 6.000 3.266 2.962 3.324 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 45 MET H 1 45 MET HA 2.730 . 3.770 2.739 2.689 2.809 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 45 MET H 1 45 MET QB 2.680 . 3.660 2.567 2.428 2.756 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 45 MET H 1 45 MET QG 2.500 . 3.310 2.107 1.865 2.334 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 45 MET H 1 46 ARG H 2.600 . 3.500 2.944 2.740 3.146 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 45 MET HA 1 45 MET ME 3.850 . 6.000 2.070 1.815 2.875 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 45 MET HA 1 45 MET QG 2.740 . 3.780 2.614 2.280 3.176 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 45 MET HA 1 46 ARG H 2.850 . 4.000 3.550 3.469 3.574 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 45 MET HA 1 48 LEU H 2.950 . 4.200 3.424 3.074 4.020 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 45 MET HA 1 48 LEU QD 3.120 . 4.540 2.445 1.833 3.108 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 45 MET QB 1 46 ARG H 2.700 . 3.700 2.415 2.228 2.919 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 45 MET ME 1 45 MET QG 3.110 . 4.520 2.169 1.941 2.442 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 45 MET ME 1 52 PRO QD 3.810 . 5.920 4.322 3.792 4.421 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 45 MET ME 2 2 ILE MD 4.000 . 6.000 4.123 3.885 4.189 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 45 MET ME 2 6 ALA MB 4.000 . 6.000 4.150 4.056 4.188 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 45 MET QG 1 46 ARG H 3.080 . 4.460 3.916 3.746 4.036 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 45 MET QG 1 52 PRO QG 3.160 . 4.620 2.486 1.978 3.068 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 45 MET QG 1 57 LEU QD 2.770 . 3.850 2.484 2.099 2.564 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 45 MET QG 1 60 MET ME 3.420 . 5.130 3.639 3.040 3.819 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 46 ARG H 1 46 ARG HA 2.630 . 3.560 2.787 2.691 2.910 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 46 ARG H 1 46 ARG QB 2.710 . 3.710 2.284 2.078 2.568 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 46 ARG H 1 46 ARG QD 3.340 . 4.980 4.128 3.607 4.501 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 46 ARG H 1 46 ARG QG 2.970 . 4.240 2.902 2.007 3.888 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 46 ARG H 1 47 MET H 2.660 . 3.620 2.743 2.291 3.266 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 46 ARG H 1 48 LEU H 3.140 . 4.580 4.093 3.775 4.583 0.003 7 0 "[ . 1 . 2 . 3]" 1
633 1 46 ARG HA 1 46 ARG QG 2.770 . 3.840 2.694 2.048 3.365 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 46 ARG HA 1 47 MET H 3.120 . 4.540 3.502 3.415 3.571 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 46 ARG HA 1 48 LEU H 3.330 . 4.960 3.946 3.430 4.931 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 46 ARG HA 1 49 GLY H 3.150 . 4.590 3.895 3.097 4.588 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 46 ARG HA 1 50 GLN H 2.480 . 3.270 3.137 2.809 3.296 0.026 20 0 "[ . 1 . 2 . 3]" 1
638 1 46 ARG QB 1 51 ASN HA 3.180 . 4.660 3.584 2.444 4.163 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 47 MET H 1 47 MET HA 2.670 . 3.630 2.870 2.740 2.918 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 47 MET H 1 47 MET HB2 2.810 . 3.920 2.464 2.084 2.885 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 47 MET H 1 47 MET HB3 2.890 . 4.080 3.549 3.236 3.643 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 47 MET H 1 47 MET ME 3.850 . 6.000 4.182 3.414 4.663 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 47 MET H 1 47 MET QG 2.980 . 4.260 2.562 1.909 3.607 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 47 MET H 1 48 LEU H 2.560 . 3.420 2.540 2.292 2.940 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 47 MET HA 1 47 MET HB2 2.850 . 4.000 2.992 2.848 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 47 MET HA 1 47 MET ME 3.850 . 6.000 4.105 3.554 4.554 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 47 MET HA 1 47 MET QG 3.000 . 4.290 2.304 1.893 2.676 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 47 MET HA 1 48 LEU H 3.160 . 4.620 3.402 3.161 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 47 MET HB2 1 48 LEU H 2.990 . 4.280 3.192 2.273 4.022 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 47 MET HB3 1 48 LEU H 3.180 . 4.660 3.935 2.753 4.458 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 47 MET ME 1 48 LEU QD 3.850 . 6.000 3.499 3.090 3.692 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 47 MET ME 2 10 ALA HA 4.000 . 6.000 2.496 1.829 4.107 0.171 21 0 "[ . 1 . 2 . 3]" 1
653 1 47 MET ME 2 10 ALA MB 4.000 . 6.000 1.961 1.645 3.678 0.355 22 0 "[ . 1 . 2 . 3]" 1
654 1 47 MET ME 2 11 LEU QD 4.000 . 6.000 3.534 3.112 3.720 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 47 MET QG 1 48 LEU QD 3.850 . 6.000 3.881 3.503 3.984 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 48 LEU H 1 48 LEU HA 3.000 . 4.290 2.902 2.735 2.963 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 48 LEU H 1 48 LEU QB 2.700 . 3.700 2.465 2.157 2.928 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 48 LEU H 1 48 LEU QD 3.650 . 5.590 2.336 1.842 2.887 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 48 LEU H 1 48 LEU HG 3.510 . 5.320 3.316 1.875 4.534 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 48 LEU H 1 49 GLY H 2.730 . 3.760 2.569 1.861 3.427 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 48 LEU HA 1 48 LEU QD 3.410 . 5.120 2.214 1.848 3.063 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 48 LEU HA 1 49 GLY H 3.290 . 4.880 3.369 2.773 3.568 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 48 LEU QB 1 49 GLY H 3.020 . 4.330 2.871 1.834 3.872 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 48 LEU QB 1 50 GLN H 2.810 . 3.930 3.275 2.799 3.500 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 48 LEU QD 1 49 GLY H 3.850 . 6.000 3.826 3.434 4.328 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 48 LEU QD 2 6 ALA MB 4.000 . 6.000 2.471 1.899 3.690 0.101 21 0 "[ . 1 . 2 . 3]" 1
667 1 48 LEU QD 2 7 MET ME 4.000 . 6.000 3.185 1.663 3.706 0.337 24 0 "[ . 1 . 2 . 3]" 1
668 1 48 LEU QD 2 9 GLN QB 4.000 . 6.000 2.903 1.808 3.963 0.192 24 0 "[ . 1 . 2 . 3]" 1
669 1 48 LEU QD 2 10 ALA HA 4.000 . 6.000 3.425 1.704 4.342 0.296 27 0 "[ . 1 . 2 . 3]" 1
670 1 48 LEU QD 2 10 ALA MB 4.000 . 6.000 1.769 1.557 2.204 0.443 12 0 "[ . 1 . 2 . 3]" 1
671 1 48 LEU QD 2 11 LEU QD 4.000 . 6.000 3.244 2.834 3.322 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 49 GLY H 1 49 GLY QA 2.380 . 3.070 2.375 2.201 2.510 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 49 GLY H 1 50 GLN H 2.530 . 3.360 2.068 1.853 2.733 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 49 GLY QA 1 50 GLN H 2.710 . 3.710 2.855 2.749 2.926 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 50 GLN H 1 50 GLN HA 2.630 . 3.570 2.943 2.869 2.962 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 50 GLN H 1 50 GLN QB 2.650 . 3.610 2.639 2.400 2.916 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 50 GLN H 1 50 GLN QG 3.050 . 4.400 3.211 2.005 3.879 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 50 GLN HA 1 50 GLN QG 3.000 . 4.300 2.297 1.927 3.260 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 50 GLN HA 1 51 ASN H 2.390 . 3.080 2.183 2.134 2.542 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 50 GLN QB 1 51 ASN H 2.750 . 3.810 3.144 2.233 3.416 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 50 GLN QB 1 51 ASN HA 3.310 . 4.920 4.168 3.947 4.259 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 50 GLN QB 1 52 PRO QD 3.100 . 4.500 2.691 2.297 2.993 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 50 GLN HE22 1 50 GLN QG 3.610 . 5.520 3.332 3.269 3.474 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 51 ASN H 1 51 ASN HA 3.000 . 4.290 2.960 2.939 2.963 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 51 ASN H 1 51 ASN QB 2.780 . 3.860 2.477 2.400 2.674 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 51 ASN H 1 52 PRO QD 2.770 . 3.850 3.280 2.985 3.466 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 51 ASN HA 1 52 PRO QD 2.640 . 3.580 2.031 1.943 2.120 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 51 ASN HA 1 52 PRO QG 3.120 . 4.540 3.964 3.880 4.053 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 51 ASN HD22 1 53 THR HA 3.480 . 5.250 4.998 4.508 5.256 0.006 4 0 "[ . 1 . 2 . 3]" 1
690 1 52 PRO QG 1 57 LEU QD 3.010 . 4.320 2.026 1.765 2.600 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 53 THR H 1 53 THR HA 2.650 . 3.590 2.953 2.917 2.963 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 53 THR H 1 56 GLU H 2.700 . 3.700 3.711 3.612 3.756 0.056 16 0 "[ . 1 . 2 . 3]" 1
693 1 53 THR HA 1 53 THR MG 3.220 . 4.740 2.195 1.877 2.839 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 53 THR HA 1 54 PRO QD 2.490 . 3.280 2.133 2.040 2.243 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 53 THR HA 1 55 GLU H 3.390 . 5.080 4.184 4.006 4.343 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 53 THR HB 1 54 PRO QD 2.580 . 3.460 1.867 1.755 2.163 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 53 THR HB 1 55 GLU H 3.040 . 4.380 2.522 2.054 3.508 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 53 THR MG 1 54 PRO QD 3.540 . 5.380 2.263 1.661 3.316 0.039 19 0 "[ . 1 . 2 . 3]" 1
699 1 53 THR MG 1 55 GLU H 3.850 . 6.000 3.647 3.393 4.004 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 53 THR MG 1 55 GLU QB 3.850 . 6.000 4.189 3.782 4.472 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 53 THR MG 1 55 GLU QG 3.590 . 5.480 3.642 2.918 4.069 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 53 THR MG 1 56 GLU H 3.850 . 6.000 4.150 3.316 4.873 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 54 PRO HA 1 54 PRO QD 3.480 . 5.260 3.505 3.487 3.519 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 54 PRO HA 1 54 PRO QG 3.150 . 4.590 3.543 3.541 3.546 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 54 PRO HA 1 55 GLU H 3.330 . 4.950 3.434 3.319 3.500 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 54 PRO HA 1 56 GLU H 3.360 . 5.020 4.334 4.140 4.626 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 54 PRO HA 1 57 LEU H 3.210 . 4.720 3.632 3.316 3.996 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 54 PRO HA 1 57 LEU HB3 3.500 . 5.290 4.114 3.439 4.700 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 54 PRO HA 1 57 LEU QD 2.870 . 4.040 2.802 2.195 3.008 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 54 PRO QB 1 54 PRO QD 3.200 . 4.700 2.967 2.942 2.987 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 54 PRO QB 1 55 GLU H 3.350 . 5.000 3.447 3.277 3.668 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 54 PRO QD 1 55 GLU H 2.920 . 4.130 2.325 2.215 2.585 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 54 PRO QG 1 55 GLU H 2.850 . 4.000 3.018 2.737 3.424 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 55 GLU H 1 55 GLU HA 2.840 . 3.980 2.911 2.899 2.916 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 55 GLU H 1 55 GLU QB 2.770 . 3.830 2.518 2.372 2.717 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 55 GLU H 1 55 GLU QG 2.950 . 4.200 2.236 1.955 2.630 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 55 GLU H 1 56 GLU H 2.670 . 3.640 2.305 2.237 2.416 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 55 GLU HA 1 55 GLU QG 2.930 . 4.160 2.781 2.251 3.377 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 55 GLU HA 1 58 GLN H 3.040 . 4.380 3.936 3.556 4.216 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 55 GLU QB 1 56 GLU H 2.880 . 4.060 2.901 2.392 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 56 GLU H 1 56 GLU HA 2.910 . 4.120 2.906 2.868 2.926 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 56 GLU H 1 56 GLU HB2 2.470 . 3.240 2.291 2.138 2.704 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 56 GLU H 1 56 GLU HB3 2.770 . 3.840 3.502 3.302 3.653 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 56 GLU H 1 57 LEU H 2.870 . 4.040 2.380 2.195 2.591 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 56 GLU HA 1 56 GLU HB2 2.700 . 3.700 2.977 2.889 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 57 LEU H 1 57 LEU HA 2.830 . 3.960 2.813 2.723 2.894 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 57 LEU H 1 57 LEU HB2 2.770 . 3.830 2.330 2.149 2.578 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 57 LEU H 1 57 LEU HB3 3.100 . 4.500 3.562 3.452 3.623 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 57 LEU H 1 57 LEU QD 3.420 . 5.140 3.225 2.998 3.506 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 57 LEU H 1 57 LEU HG 2.480 . 3.260 2.573 1.968 3.153 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 57 LEU H 1 58 GLN H 2.750 . 3.810 2.704 2.374 3.053 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 57 LEU HA 1 57 LEU HB2 2.710 . 3.710 3.003 2.954 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 57 LEU HA 1 57 LEU HB3 2.750 . 3.800 2.598 2.466 2.721 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 57 LEU HA 1 57 LEU QD 2.640 . 3.580 2.042 1.857 2.295 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 57 LEU HA 1 60 MET HB2 3.020 . 4.340 3.057 2.422 3.891 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 57 LEU HA 1 60 MET ME 3.360 . 5.020 3.692 2.925 4.213 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 57 LEU HB2 1 57 LEU QD 2.930 . 4.160 2.152 1.988 2.365 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 57 LEU HB2 1 58 GLN H 2.830 . 3.960 2.679 2.442 3.144 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 57 LEU HB3 1 57 LEU QD 2.900 . 4.100 2.079 2.009 2.149 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 57 LEU HB3 1 57 LEU HG 2.810 . 3.910 3.022 2.993 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 57 LEU HB3 1 58 GLN H 2.870 . 4.040 3.379 2.832 3.767 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 57 LEU QD 1 58 GLN H 3.850 . 6.000 4.043 3.889 4.260 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 57 LEU QD 1 60 MET H 3.850 . 6.000 4.285 3.976 4.451 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 57 LEU QD 1 60 MET HB2 2.950 . 4.200 3.088 2.921 3.147 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 57 LEU QD 1 60 MET ME 3.250 . 4.800 2.495 1.810 2.970 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 58 GLN H 1 58 GLN HA 2.750 . 3.790 2.746 2.702 2.875 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 58 GLN H 1 58 GLN QB 2.590 . 3.480 2.269 2.159 2.306 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 58 GLN H 1 58 GLN QG 3.160 . 4.620 4.010 3.756 4.086 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 58 GLN H 1 59 GLU H 3.430 . 5.160 2.860 2.437 3.041 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 58 GLN H 1 61 ILE MD 3.850 . 6.000 4.944 4.646 5.034 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 58 GLN HA 1 58 GLN QG 3.410 . 5.120 2.694 2.004 3.051 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 58 GLN HA 1 59 GLU H 3.220 . 4.740 3.530 3.409 3.567 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 58 GLN HA 1 61 ILE H 3.140 . 4.580 3.297 2.931 3.650 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 58 GLN HA 1 61 ILE HB 2.790 . 3.890 2.881 2.310 3.346 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 58 GLN HA 1 61 ILE MD 3.850 . 6.000 3.628 3.066 3.909 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 58 GLN HA 1 61 ILE MG 3.540 . 5.380 4.145 3.590 4.507 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 58 GLN HA 1 62 ASP H 3.450 . 5.200 4.262 3.909 4.666 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 58 GLN HE22 1 61 ILE MG 3.390 . 5.080 3.697 2.285 4.237 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 58 GLN QG 1 59 GLU HA 3.660 . 5.620 3.794 3.102 5.026 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 59 GLU H 1 59 GLU HA 2.730 . 3.770 2.809 2.749 2.887 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 59 GLU H 1 59 GLU HB2 2.520 . 3.340 2.352 2.092 2.764 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 59 GLU H 1 59 GLU HB3 3.040 . 4.380 3.248 2.484 3.610 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 59 GLU H 1 59 GLU QG 3.320 . 4.940 3.192 1.883 4.082 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 59 GLU H 1 60 MET H 2.770 . 3.850 2.664 2.424 2.934 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 59 GLU HA 1 59 GLU HB2 2.650 . 3.600 2.829 2.422 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 59 GLU HA 1 62 ASP H 3.180 . 4.660 3.420 3.081 3.910 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 59 GLU HA 1 62 ASP QB 2.690 . 3.670 2.666 2.251 2.969 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 59 GLU HB2 1 60 MET H 3.240 . 4.780 3.255 2.324 4.174 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 59 GLU HB3 1 60 MET H 3.230 . 4.760 3.268 2.328 4.141 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 60 MET H 1 60 MET HA 2.620 . 3.540 2.857 2.730 2.918 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 60 MET H 1 60 MET HB2 2.790 . 3.880 2.424 2.121 2.738 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 60 MET H 1 60 MET HB3 2.920 . 4.140 3.565 3.254 3.633 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 60 MET H 1 60 MET ME 3.850 . 6.000 4.656 4.126 4.992 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 60 MET H 1 60 MET QG 3.600 . 5.500 2.507 1.845 3.814 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 60 MET H 1 61 ILE H 2.790 . 3.870 2.528 2.320 2.911 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 60 MET HA 1 60 MET HB2 2.830 . 3.970 3.007 2.860 3.032 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 60 MET HA 1 60 MET HB3 2.690 . 3.670 2.532 2.359 2.844 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 60 MET HA 1 60 MET QG 3.400 . 5.100 2.386 1.935 2.985 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 60 MET HA 1 63 GLU H 3.350 . 5.000 3.838 3.489 4.287 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 60 MET HB2 1 61 ILE H 2.810 . 3.910 2.905 2.223 3.476 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 60 MET ME 2 2 ILE MD 4.000 . 6.000 4.148 3.986 4.202 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 61 ILE H 1 61 ILE HA 2.730 . 3.770 2.873 2.712 2.919 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 61 ILE H 1 61 ILE HB 2.460 . 3.210 2.473 2.250 2.800 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 61 ILE H 1 61 ILE MD 3.610 . 5.520 2.486 1.752 3.411 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 61 ILE H 1 61 ILE QG 2.730 . 3.750 2.680 1.861 3.393 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 61 ILE H 1 61 ILE MG 3.320 . 4.940 3.739 3.670 3.799 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 61 ILE H 1 62 ASP H 2.640 . 3.580 2.491 2.256 2.930 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 61 ILE HA 1 61 ILE HB 2.770 . 3.850 3.019 3.003 3.031 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 61 ILE HA 1 61 ILE MD 2.810 . 3.930 1.947 1.830 2.147 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 61 ILE HA 1 61 ILE QG 2.670 . 3.650 2.826 2.490 3.224 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 61 ILE HA 1 61 ILE MG 2.670 . 3.650 2.355 2.038 2.579 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 61 ILE HA 1 62 ASP H 3.230 . 4.750 3.537 3.498 3.566 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 61 ILE HA 1 64 VAL H 3.350 . 5.000 3.322 3.074 3.651 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 61 ILE HA 1 64 VAL QG 2.870 . 4.040 2.163 1.762 2.512 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 61 ILE HB 1 61 ILE MD 3.000 . 4.290 2.901 2.521 3.194 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 61 ILE HB 1 62 ASP H 2.630 . 3.570 2.639 2.303 2.891 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 61 ILE MD 1 64 VAL QG 3.290 . 4.870 2.978 2.795 3.025 . 0 0 "[ . 1 . 2 . 3]" 1
798 1 61 ILE MD 1 71 THR HA 3.600 . 5.500 4.471 3.940 4.608 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 61 ILE MD 1 72 VAL QG 3.850 . 6.000 2.308 2.045 3.033 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 61 ILE QG 1 61 ILE MG 2.830 . 3.960 2.160 1.985 2.429 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 61 ILE MG 1 62 ASP H 3.230 . 4.750 3.420 2.927 3.855 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 61 ILE MG 1 62 ASP HA 3.350 . 5.000 3.554 3.016 4.164 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 61 ILE MG 1 64 VAL HB 3.850 . 6.000 4.809 4.461 5.047 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 61 ILE MG 1 64 VAL QG 2.980 . 4.260 2.414 2.227 2.615 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 61 ILE MG 1 65 ASP H 3.830 . 5.950 3.208 2.738 3.638 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 61 ILE MG 1 65 ASP HB2 3.080 . 4.460 2.349 1.982 2.595 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 61 ILE MG 1 65 ASP HB3 3.000 . 4.300 3.498 3.190 3.595 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 61 ILE MG 1 70 GLY QA 3.600 . 5.500 3.332 2.638 3.934 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 61 ILE MG 1 71 THR HA 3.230 . 4.760 3.051 2.298 3.613 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 61 ILE MG 1 72 VAL H 3.850 . 6.000 4.249 3.730 4.689 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 61 ILE MG 1 72 VAL HA 3.850 . 6.000 4.396 3.922 4.814 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 62 ASP H 1 62 ASP HA 2.800 . 3.900 2.765 2.700 2.834 . 0 0 "[ . 1 . 2 . 3]" 1
813 1 62 ASP H 1 62 ASP QB 2.740 . 3.780 2.196 2.067 2.318 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 62 ASP H 1 63 GLU H 2.800 . 3.900 2.780 2.571 3.125 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 62 ASP HA 1 63 GLU H 3.220 . 4.740 3.478 3.409 3.566 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 62 ASP HA 1 65 ASP H 2.540 . 3.380 3.240 2.975 3.432 0.052 14 0 "[ . 1 . 2 . 3]" 1
817 1 62 ASP HA 1 65 ASP HB3 2.980 . 4.250 3.129 2.554 3.652 . 0 0 "[ . 1 . 2 . 3]" 1
818 1 62 ASP QB 1 63 GLU H 3.080 . 4.460 2.858 2.139 3.092 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 63 GLU H 1 63 GLU HA 2.800 . 3.900 2.845 2.723 2.904 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 63 GLU H 1 63 GLU HB2 2.960 . 4.220 2.852 2.753 3.008 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 63 GLU H 1 63 GLU HB3 2.880 . 4.060 3.577 3.556 3.621 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 63 GLU H 1 63 GLU QG 3.250 . 4.790 1.866 1.794 2.001 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 63 GLU H 1 64 VAL H 2.850 . 4.000 2.604 2.345 3.159 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 63 GLU H 1 64 VAL QG 3.790 . 5.880 3.466 3.154 3.884 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 63 GLU HA 1 64 VAL H 3.380 . 5.050 3.500 3.375 3.565 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 63 GLU HB2 1 64 VAL H 2.980 . 4.260 2.679 1.997 3.307 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 63 GLU HB2 1 64 VAL QG 2.710 . 3.710 2.634 2.318 2.813 . 0 0 "[ . 1 . 2 . 3]" 1
828 1 63 GLU HB3 1 64 VAL H 3.170 . 4.640 3.948 3.451 4.351 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 63 GLU QG 1 64 VAL H 3.410 . 5.120 3.536 3.310 3.893 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 63 GLU QG 1 64 VAL QG 3.620 . 5.540 3.664 3.490 3.702 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 64 VAL H 1 64 VAL HA 2.830 . 3.970 2.927 2.823 2.962 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 64 VAL H 1 64 VAL HB 2.930 . 4.160 3.644 3.286 3.843 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 64 VAL H 1 64 VAL QG 3.000 . 4.300 1.898 1.735 2.189 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 64 VAL H 1 65 ASP H 2.390 . 3.080 2.152 1.840 2.640 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 64 VAL H 1 65 ASP HB2 3.210 . 4.720 3.968 3.639 4.462 . 0 0 "[ . 1 . 2 . 3]" 1
836 1 64 VAL H 1 80 MET ME 3.850 . 6.000 4.520 3.601 5.007 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 64 VAL HA 1 64 VAL HB 2.670 . 3.630 2.484 2.317 2.605 . 0 0 "[ . 1 . 2 . 3]" 1
838 1 64 VAL HA 1 64 VAL QG 2.840 . 3.980 2.265 2.048 2.493 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 64 VAL HA 1 65 ASP HA 3.350 . 5.000 4.735 4.633 4.806 . 0 0 "[ . 1 . 2 . 3]" 1
840 1 64 VAL QG 1 65 ASP H 3.120 . 4.540 2.189 1.847 2.655 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 64 VAL QG 1 65 ASP HA 3.230 . 4.760 3.378 3.025 3.558 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 64 VAL QG 1 72 VAL QG 3.620 . 5.540 1.564 1.465 1.648 0.235 20 0 "[ . 1 . 2 . 3]" 1
843 1 64 VAL QG 1 76 GLU QB 2.710 . 3.710 2.397 1.959 2.468 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 64 VAL QG 1 76 GLU QG 3.350 . 5.000 3.198 2.571 3.341 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 64 VAL QG 1 77 PHE HA 3.850 . 6.000 3.100 2.445 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 64 VAL QG 1 80 MET H 3.680 . 5.660 3.519 2.877 4.111 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 64 VAL QG 1 80 MET HA 3.330 . 4.950 3.543 2.967 3.681 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 64 VAL QG 1 80 MET QB 3.130 . 4.560 1.894 1.690 2.390 0.010 23 0 "[ . 1 . 2 . 3]" 1
849 1 64 VAL QG 1 80 MET ME 3.850 . 6.000 2.469 1.797 3.326 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 65 ASP H 1 65 ASP HA 2.670 . 3.630 2.880 2.836 2.932 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 65 ASP H 1 65 ASP HB2 2.500 . 3.290 2.140 2.088 2.234 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 65 ASP H 1 65 ASP HB3 2.620 . 3.540 3.358 3.240 3.522 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 65 ASP HA 1 65 ASP HB2 2.730 . 3.750 2.908 2.848 2.989 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 65 ASP HA 1 65 ASP HB3 2.710 . 3.720 2.781 2.642 2.854 . 0 0 "[ . 1 . 2 . 3]" 1
855 1 65 ASP HA 1 66 GLU H 2.400 . 3.100 2.521 2.310 2.661 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 65 ASP HA 1 67 ASP H 3.020 . 4.330 3.144 2.907 3.436 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 65 ASP HB2 1 68 GLY H 3.330 . 4.950 4.845 4.328 4.971 0.021 12 0 "[ . 1 . 2 . 3]" 1
858 1 65 ASP OD1 3 1 CA CA 2.400 . 2.800 2.672 2.263 2.816 0.016 21 0 "[ . 1 . 2 . 3]" 1
859 1 65 ASP OD2 1 70 GLY H 2.000 . 2.300 2.082 1.842 2.321 0.021 13 0 "[ . 1 . 2 . 3]" 1
860 1 65 ASP OD2 1 70 GLY N 2.900 2.500 3.300 2.710 2.523 2.975 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 66 GLU H 1 66 GLU HA 2.750 . 3.790 2.895 2.803 2.935 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 66 GLU H 1 66 GLU HB2 2.660 . 3.620 2.180 2.107 2.319 . 0 0 "[ . 1 . 2 . 3]" 1
863 1 66 GLU H 1 66 GLU HB3 2.760 . 3.820 3.389 3.235 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 66 GLU H 1 66 GLU QG 3.350 . 5.000 3.301 2.523 3.953 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 66 GLU H 1 67 ASP H 2.580 . 3.460 2.375 2.171 2.642 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 66 GLU HA 1 66 GLU HB2 2.710 . 3.720 2.926 2.849 3.009 . 0 0 "[ . 1 . 2 . 3]" 1
867 1 66 GLU HA 1 66 GLU HB3 2.670 . 3.630 2.750 2.601 2.854 . 0 0 "[ . 1 . 2 . 3]" 1
868 1 66 GLU HA 1 66 GLU QG 3.120 . 4.540 2.087 1.902 2.370 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 66 GLU HA 1 67 ASP H 3.080 . 4.460 3.421 3.328 3.510 . 0 0 "[ . 1 . 2 . 3]" 1
870 1 66 GLU HA 1 68 GLY H 3.030 . 4.360 3.985 3.670 4.316 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 66 GLU HB2 1 67 ASP H 2.840 . 3.980 3.363 2.878 3.768 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 66 GLU HB3 1 67 ASP H 2.750 . 3.810 3.591 3.123 3.821 0.011 30 0 "[ . 1 . 2 . 3]" 1
873 1 67 ASP H 1 67 ASP HA 2.650 . 3.590 2.934 2.899 2.962 . 0 0 "[ . 1 . 2 . 3]" 1
874 1 67 ASP H 1 67 ASP HB2 3.080 . 4.460 3.622 3.531 3.686 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 67 ASP H 1 67 ASP HB3 3.020 . 4.330 2.989 2.605 3.413 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 67 ASP H 1 68 GLY H 2.460 . 3.210 2.216 1.956 2.445 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 67 ASP H 1 69 SER H 3.220 . 4.740 3.595 3.130 4.060 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 67 ASP HA 1 67 ASP HB2 2.660 . 3.620 2.538 2.397 2.688 . 0 0 "[ . 1 . 2 . 3]" 1
879 1 67 ASP HA 1 67 ASP HB3 2.710 . 3.720 2.397 2.290 2.531 . 0 0 "[ . 1 . 2 . 3]" 1
880 1 67 ASP HA 1 68 GLY H 3.020 . 4.340 3.367 3.148 3.485 . 0 0 "[ . 1 . 2 . 3]" 1
881 1 67 ASP HA 1 69 SER H 3.500 . 5.300 4.777 4.331 5.225 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 67 ASP OD1 3 1 CA CA 2.400 . 2.800 2.768 2.432 3.130 0.330 25 0 "[ . 1 . 2 . 3]" 1
883 1 68 GLY H 1 68 GLY QA 2.270 . 2.850 2.236 2.200 2.288 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 68 GLY H 1 69 SER H 2.670 . 3.650 2.454 2.155 2.857 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 68 GLY QA 1 69 SER H 2.980 . 4.260 2.788 2.606 2.928 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 68 GLY QA 1 70 GLY H 3.640 . 5.580 3.381 2.947 4.083 . 0 0 "[ . 1 . 2 . 3]" 1
887 1 69 SER H 1 69 SER HA 2.890 . 4.080 2.857 2.714 2.949 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 69 SER H 1 69 SER QB 3.250 . 4.800 2.714 2.171 2.978 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 69 SER H 1 70 GLY H 2.860 . 4.020 2.515 2.066 2.975 . 0 0 "[ . 1 . 2 . 3]" 1
890 1 69 SER H 1 71 THR H 3.330 . 4.950 4.073 3.579 4.549 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 69 SER QB 1 71 THR H 3.230 . 4.750 2.949 2.127 3.892 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 69 SER OG 3 1 CA CA 2.400 . 2.800 2.472 2.002 2.803 0.003 20 0 "[ . 1 . 2 . 3]" 1
893 1 70 GLY H 1 71 THR H 2.690 . 3.690 2.423 1.911 2.809 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 70 GLY QA 1 71 THR H 2.660 . 3.620 2.886 2.753 2.924 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 70 GLY QA 1 71 THR MG 3.570 . 5.440 3.522 3.065 4.016 . 0 0 "[ . 1 . 2 . 3]" 1
896 1 71 THR H 1 71 THR HA 2.640 . 3.580 2.931 2.889 2.962 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 71 THR H 1 71 THR HB 3.110 . 4.520 3.780 3.517 3.968 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 71 THR H 1 71 THR MG 3.140 . 4.580 3.286 2.444 3.795 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 71 THR H 1 72 VAL H 3.410 . 5.120 4.385 4.326 4.501 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 71 THR HA 1 71 THR HB 2.670 . 3.630 2.585 2.361 2.778 . 0 0 "[ . 1 . 2 . 3]" 1
901 1 71 THR HA 1 71 THR MG 2.750 . 3.810 2.179 1.916 2.518 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 71 THR HA 1 72 VAL H 2.460 . 3.210 2.540 2.299 2.716 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 71 THR HA 1 72 VAL QG 3.850 . 6.000 3.042 2.811 3.319 . 0 0 "[ . 1 . 2 . 3]" 1
904 1 71 THR HB 1 72 VAL H 2.600 . 3.500 2.180 1.841 2.844 . 0 0 "[ . 1 . 2 . 3]" 1
905 1 71 THR MG 1 72 VAL H 3.250 . 4.800 3.316 2.808 3.813 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 71 THR O 3 1 CA CA 2.400 . 2.800 2.694 2.453 2.820 0.020 15 0 "[ . 1 . 2 . 3]" 1
907 1 72 VAL H 1 72 VAL HB 2.410 . 3.120 2.868 2.602 3.095 . 0 0 "[ . 1 . 2 . 3]" 1
908 1 72 VAL H 1 72 VAL QG 3.550 . 5.400 2.434 2.018 2.679 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 72 VAL HA 1 73 ASP H 2.170 . 2.630 2.221 2.134 2.467 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 72 VAL HA 1 76 GLU QG 3.760 . 5.820 2.702 1.849 3.228 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 72 VAL QG 1 73 ASP H 3.440 . 5.180 3.166 1.815 3.532 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 72 VAL QG 1 76 GLU QB 2.990 . 4.280 2.598 1.769 2.853 . 0 0 "[ . 1 . 2 . 3]" 1
913 1 72 VAL QG 1 76 GLU QG 3.220 . 4.740 1.855 1.679 2.616 0.021 25 0 "[ . 1 . 2 . 3]" 1
914 1 72 VAL QG 1 77 PHE H 2.720 . 3.740 2.592 1.982 2.793 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 72 VAL QG 1 77 PHE HA 3.000 . 4.300 2.373 1.818 2.995 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 72 VAL QG 1 77 PHE QB 2.960 . 4.220 2.353 1.846 2.646 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 73 ASP H 1 73 ASP HA 2.870 . 4.040 2.819 2.754 2.945 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 73 ASP H 1 73 ASP HB3 2.930 . 4.160 2.691 2.521 3.270 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 73 ASP H 1 76 GLU QG 2.430 . 3.160 2.571 1.866 2.839 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 73 ASP HA 1 73 ASP HB2 2.670 . 3.650 2.517 2.439 2.647 . 0 0 "[ . 1 . 2 . 3]" 1
921 1 73 ASP HA 1 73 ASP HB3 2.690 . 3.670 2.410 2.311 2.484 . 0 0 "[ . 1 . 2 . 3]" 1
922 1 73 ASP HA 1 74 PHE H 2.810 . 3.910 2.684 2.525 2.879 . 0 0 "[ . 1 . 2 . 3]" 1
923 1 73 ASP HA 1 74 PHE QB 3.290 . 4.880 4.335 4.261 4.397 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 73 ASP HB2 1 74 PHE H 2.790 . 3.880 1.883 1.816 2.127 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 73 ASP HB2 1 75 ASP H 3.520 . 5.340 2.821 2.364 3.186 . 0 0 "[ . 1 . 2 . 3]" 1
926 1 73 ASP HB3 1 74 PHE H 2.810 . 3.920 3.395 3.209 3.555 . 0 0 "[ . 1 . 2 . 3]" 1
927 1 74 PHE H 1 74 PHE HA 2.730 . 3.750 2.886 2.794 2.912 . 0 0 "[ . 1 . 2 . 3]" 1
928 1 74 PHE H 1 74 PHE QB 2.730 . 3.750 2.266 2.169 2.452 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 74 PHE H 1 74 PHE QD 3.850 . 6.000 3.992 1.862 4.222 . 0 0 "[ . 1 . 2 . 3]" 1
930 1 74 PHE H 1 75 ASP H 3.090 . 4.480 2.570 2.319 2.713 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 74 PHE HA 1 74 PHE QD 3.050 . 4.400 2.857 2.128 3.689 . 0 0 "[ . 1 . 2 . 3]" 1
932 1 74 PHE HA 1 77 PHE H 2.980 . 4.250 4.144 3.763 4.305 0.055 3 0 "[ . 1 . 2 . 3]" 1
933 1 74 PHE HA 1 77 PHE QB 2.900 . 4.090 2.924 2.515 3.484 . 0 0 "[ . 1 . 2 . 3]" 1
934 1 74 PHE QE 1 75 ASP HA 3.850 . 6.000 4.768 3.580 5.369 . 0 0 "[ . 1 . 2 . 3]" 1
935 1 74 PHE QE 1 78 LEU QD 3.850 . 6.000 2.722 1.995 3.969 . 0 0 "[ . 1 . 2 . 3]" 1
936 1 75 ASP H 1 75 ASP HA 2.840 . 3.980 2.927 2.797 2.962 . 0 0 "[ . 1 . 2 . 3]" 1
937 1 75 ASP H 1 75 ASP HB2 2.850 . 4.000 2.317 2.116 2.884 . 0 0 "[ . 1 . 2 . 3]" 1
938 1 75 ASP H 1 75 ASP HB3 2.890 . 4.080 3.433 3.258 3.698 . 0 0 "[ . 1 . 2 . 3]" 1
939 1 75 ASP H 1 76 GLU H 2.800 . 3.900 2.733 1.911 3.254 . 0 0 "[ . 1 . 2 . 3]" 1
940 1 75 ASP H 1 77 PHE H 3.120 . 4.540 3.474 3.099 3.949 . 0 0 "[ . 1 . 2 . 3]" 1
941 1 75 ASP HA 1 75 ASP HB2 2.750 . 3.800 2.930 2.846 3.028 . 0 0 "[ . 1 . 2 . 3]" 1
942 1 75 ASP HA 1 75 ASP HB3 2.680 . 3.660 2.709 2.300 2.850 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 75 ASP HA 1 78 LEU QD 3.430 . 5.160 3.726 3.375 3.853 . 0 0 "[ . 1 . 2 . 3]" 1
944 1 75 ASP HB2 1 76 GLU H 2.850 . 4.000 2.540 1.850 3.432 . 0 0 "[ . 1 . 2 . 3]" 1
945 1 75 ASP HB3 1 76 GLU H 3.080 . 4.460 2.453 1.843 4.265 . 0 0 "[ . 1 . 2 . 3]" 1
946 1 76 GLU H 1 76 GLU HA 2.880 . 4.050 2.759 2.710 2.935 . 0 0 "[ . 1 . 2 . 3]" 1
947 1 76 GLU H 1 76 GLU QB 2.800 . 3.900 2.717 2.574 3.019 . 0 0 "[ . 1 . 2 . 3]" 1
948 1 76 GLU H 1 76 GLU QG 2.640 . 3.580 1.828 1.734 1.893 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 76 GLU H 1 77 PHE H 2.620 . 3.540 2.805 2.316 2.954 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 76 GLU HA 1 76 GLU QB 2.660 . 3.620 2.178 2.157 2.197 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 76 GLU HA 1 76 GLU QG 2.890 . 4.080 3.205 2.785 3.287 . 0 0 "[ . 1 . 2 . 3]" 1
952 1 76 GLU HA 1 79 VAL H 3.170 . 4.640 3.925 3.378 4.468 . 0 0 "[ . 1 . 2 . 3]" 1
953 1 76 GLU HA 1 79 VAL HB 2.550 . 3.400 2.710 2.270 3.296 . 0 0 "[ . 1 . 2 . 3]" 1
954 1 76 GLU HA 1 79 VAL QG 3.100 . 4.500 2.861 1.943 3.318 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 76 GLU QB 1 77 PHE H 3.010 . 4.320 3.308 2.450 3.715 . 0 0 "[ . 1 . 2 . 3]" 1
956 1 76 GLU QG 1 77 PHE H 2.710 . 3.720 2.391 1.990 3.263 . 0 0 "[ . 1 . 2 . 3]" 1
957 1 76 GLU OE1 3 1 CA CA 2.400 . 2.800 2.681 2.148 2.835 0.035 15 0 "[ . 1 . 2 . 3]" 1
958 1 76 GLU OE2 3 1 CA CA 2.400 . 2.800 2.560 1.982 2.805 0.018 15 0 "[ . 1 . 2 . 3]" 1
959 1 77 PHE H 1 77 PHE HA 2.690 . 3.690 2.779 2.693 2.900 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 77 PHE H 1 77 PHE QB 2.580 . 3.460 2.277 2.215 2.311 . 0 0 "[ . 1 . 2 . 3]" 1
961 1 77 PHE H 1 77 PHE QD 3.310 . 4.920 4.174 4.116 4.215 . 0 0 "[ . 1 . 2 . 3]" 1
962 1 77 PHE H 1 78 LEU H 2.690 . 3.690 3.137 2.657 3.500 . 0 0 "[ . 1 . 2 . 3]" 1
963 1 77 PHE HA 1 77 PHE QE 3.840 . 5.980 4.444 4.096 4.708 . 0 0 "[ . 1 . 2 . 3]" 1
964 1 77 PHE HA 1 80 MET H 2.920 . 4.130 3.942 3.553 4.135 0.005 14 0 "[ . 1 . 2 . 3]" 1
965 1 77 PHE HA 1 80 MET QB 2.890 . 4.080 2.998 2.572 3.422 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 77 PHE HA 1 80 MET ME 3.790 . 5.870 4.240 2.847 4.844 . 0 0 "[ . 1 . 2 . 3]" 1
967 1 77 PHE QB 1 78 LEU H 3.330 . 4.960 2.017 1.831 2.509 . 0 0 "[ . 1 . 2 . 3]" 1
968 1 77 PHE QD 1 78 LEU H 3.640 . 5.580 2.816 1.953 4.196 . 0 0 "[ . 1 . 2 . 3]" 1
969 1 77 PHE QD 1 80 MET ME 3.850 . 6.000 4.100 2.577 4.479 . 0 0 "[ . 1 . 2 . 3]" 1
970 1 78 LEU H 1 78 LEU HA 2.730 . 3.750 2.734 2.670 2.869 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 78 LEU H 1 78 LEU HB2 2.730 . 3.760 2.352 2.106 2.648 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 78 LEU H 1 78 LEU HB3 2.890 . 4.080 3.566 3.360 3.643 . 0 0 "[ . 1 . 2 . 3]" 1
973 1 78 LEU H 1 78 LEU QD 3.600 . 5.500 2.940 1.878 3.173 . 0 0 "[ . 1 . 2 . 3]" 1
974 1 78 LEU H 1 78 LEU HG 2.830 . 3.960 2.733 1.983 3.834 . 0 0 "[ . 1 . 2 . 3]" 1
975 1 78 LEU H 1 79 VAL H 2.790 . 3.880 3.075 2.733 3.398 . 0 0 "[ . 1 . 2 . 3]" 1
976 1 78 LEU HA 1 78 LEU HB2 2.800 . 3.900 2.985 2.870 3.025 . 0 0 "[ . 1 . 2 . 3]" 1
977 1 78 LEU HA 1 78 LEU HB3 2.710 . 3.710 2.640 2.508 2.835 . 0 0 "[ . 1 . 2 . 3]" 1
978 1 78 LEU HA 1 78 LEU QD 3.180 . 4.660 2.385 1.842 2.838 . 0 0 "[ . 1 . 2 . 3]" 1
979 1 78 LEU HA 1 81 MET H 2.980 . 4.250 3.704 3.313 4.076 . 0 0 "[ . 1 . 2 . 3]" 1
980 1 78 LEU HA 1 81 MET QB 2.790 . 3.890 3.039 2.451 3.486 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 78 LEU HA 1 81 MET ME 3.850 . 6.000 4.113 1.804 5.013 . 0 0 "[ . 1 . 2 . 3]" 1
982 1 78 LEU HB2 1 78 LEU HG 2.850 . 4.000 2.681 2.390 2.857 . 0 0 "[ . 1 . 2 . 3]" 1
983 1 78 LEU HB2 1 79 VAL H 2.790 . 3.870 2.477 2.001 3.064 . 0 0 "[ . 1 . 2 . 3]" 1
984 1 78 LEU HB3 1 79 VAL H 3.010 . 4.320 2.932 2.212 3.711 . 0 0 "[ . 1 . 2 . 3]" 1
985 1 78 LEU QD 1 81 MET QB 3.850 . 6.000 3.818 3.188 3.982 . 0 0 "[ . 1 . 2 . 3]" 1
986 1 79 VAL H 1 79 VAL HA 2.620 . 3.540 2.742 2.677 2.822 . 0 0 "[ . 1 . 2 . 3]" 1
987 1 79 VAL H 1 79 VAL HB 2.420 . 3.150 2.653 2.451 2.882 . 0 0 "[ . 1 . 2 . 3]" 1
988 1 79 VAL H 1 79 VAL QG 3.180 . 4.660 2.051 1.823 2.341 . 0 0 "[ . 1 . 2 . 3]" 1
989 1 79 VAL H 1 80 MET H 2.680 . 3.660 3.027 2.745 3.240 . 0 0 "[ . 1 . 2 . 3]" 1
990 1 79 VAL H 1 82 VAL QG 3.630 . 5.560 4.028 3.676 4.147 . 0 0 "[ . 1 . 2 . 3]" 1
991 1 79 VAL HA 1 79 VAL HB 2.750 . 3.790 3.025 3.015 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
992 1 79 VAL HA 1 79 VAL QG 2.580 . 3.460 2.050 1.983 2.133 . 0 0 "[ . 1 . 2 . 3]" 1
993 1 79 VAL HA 1 80 MET H 3.080 . 4.460 3.562 3.516 3.579 . 0 0 "[ . 1 . 2 . 3]" 1
994 1 79 VAL HA 1 82 VAL H 2.910 . 4.120 3.467 2.978 3.932 . 0 0 "[ . 1 . 2 . 3]" 1
995 1 79 VAL HA 1 82 VAL HB 2.730 . 3.750 3.044 2.097 3.791 0.041 28 0 "[ . 1 . 2 . 3]" 1
996 1 79 VAL HA 1 82 VAL QG 3.100 . 4.500 2.345 1.823 2.957 . 0 0 "[ . 1 . 2 . 3]" 1
997 1 79 VAL HB 1 80 MET H 2.590 . 3.480 2.273 1.917 2.735 . 0 0 "[ . 1 . 2 . 3]" 1
998 1 79 VAL QG 1 80 MET H 3.550 . 5.400 2.980 2.565 3.349 . 0 0 "[ . 1 . 2 . 3]" 1
999 1 79 VAL QG 1 82 VAL QG 3.850 . 6.000 3.106 2.296 3.316 . 0 0 "[ . 1 . 2 . 3]" 1
1000 1 79 VAL QG 1 83 ARG H 3.850 . 6.000 3.701 3.151 4.194 . 0 0 "[ . 1 . 2 . 3]" 1
1001 1 79 VAL QG 1 83 ARG QD 3.270 . 4.840 2.676 1.904 3.203 . 0 0 "[ . 1 . 2 . 3]" 1
1002 1 80 MET H 1 80 MET HA 2.670 . 3.650 2.727 2.668 2.862 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 80 MET H 1 80 MET QB 2.660 . 3.620 2.243 2.104 2.313 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 80 MET H 1 80 MET QG 3.150 . 4.600 3.835 2.681 4.026 . 0 0 "[ . 1 . 2 . 3]" 1
1005 1 80 MET H 1 81 MET H 2.680 . 3.660 2.961 2.581 3.258 . 0 0 "[ . 1 . 2 . 3]" 1
1006 1 80 MET HA 1 80 MET QG 2.790 . 3.880 2.392 2.016 3.426 . 0 0 "[ . 1 . 2 . 3]" 1
1007 1 80 MET HA 1 81 MET H 3.200 . 4.700 3.535 3.423 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
1008 1 80 MET HA 1 81 MET ME 3.850 . 6.000 4.606 3.832 5.037 . 0 0 "[ . 1 . 2 . 3]" 1
1009 1 80 MET HA 1 83 ARG H 3.120 . 4.540 3.645 2.911 4.206 . 0 0 "[ . 1 . 2 . 3]" 1
1010 1 80 MET HA 1 83 ARG QB 3.060 . 4.420 2.670 2.046 3.951 . 0 0 "[ . 1 . 2 . 3]" 1
1011 1 80 MET HA 1 83 ARG QD 3.000 . 4.290 3.161 2.269 3.831 . 0 0 "[ . 1 . 2 . 3]" 1
1012 1 80 MET QB 1 80 MET ME 3.850 . 6.000 2.616 1.786 3.399 . 0 0 "[ . 1 . 2 . 3]" 1
1013 1 80 MET QB 1 81 MET H 3.080 . 4.460 2.539 1.976 3.649 . 0 0 "[ . 1 . 2 . 3]" 1
1014 1 80 MET ME 2 2 ILE MD 4.000 . 6.000 3.977 3.298 4.171 . 0 0 "[ . 1 . 2 . 3]" 1
1015 1 81 MET H 1 81 MET HA 2.730 . 3.760 2.827 2.730 2.910 . 0 0 "[ . 1 . 2 . 3]" 1
1016 1 81 MET H 1 81 MET QB 2.620 . 3.540 2.301 2.051 2.660 . 0 0 "[ . 1 . 2 . 3]" 1
1017 1 81 MET H 1 81 MET QG 2.940 . 4.170 2.876 1.858 3.791 . 0 0 "[ . 1 . 2 . 3]" 1
1018 1 81 MET H 1 82 VAL H 2.810 . 3.910 2.750 2.372 3.193 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 81 MET HA 1 81 MET QG 3.040 . 4.370 2.440 1.887 3.288 . 0 0 "[ . 1 . 2 . 3]" 1
1020 1 81 MET HA 1 82 VAL H 3.170 . 4.630 3.546 3.456 3.574 . 0 0 "[ . 1 . 2 . 3]" 1
1021 1 81 MET HA 1 84 CYS H 3.010 . 4.320 3.593 3.152 4.118 . 0 0 "[ . 1 . 2 . 3]" 1
1022 1 81 MET HA 1 84 CYS QB 3.080 . 4.460 3.558 2.582 3.980 . 0 0 "[ . 1 . 2 . 3]" 1
1023 1 81 MET QB 1 82 VAL H 2.750 . 3.800 2.435 1.856 3.495 . 0 0 "[ . 1 . 2 . 3]" 1
1024 1 81 MET QB 1 85 MET ME 3.850 . 6.000 2.112 1.686 3.691 0.014 11 0 "[ . 1 . 2 . 3]" 1
1025 1 82 VAL H 1 82 VAL HA 2.800 . 3.900 2.809 2.702 2.919 . 0 0 "[ . 1 . 2 . 3]" 1
1026 1 82 VAL H 1 82 VAL HB 2.420 . 3.150 2.629 2.223 2.913 . 0 0 "[ . 1 . 2 . 3]" 1
1027 1 82 VAL H 1 82 VAL QG 2.790 . 3.880 2.124 1.805 2.679 . 0 0 "[ . 1 . 2 . 3]" 1
1028 1 82 VAL HA 1 82 VAL HB 2.690 . 3.680 2.921 2.600 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
1029 1 82 VAL HA 1 82 VAL QG 2.840 . 3.980 2.037 1.939 2.112 . 0 0 "[ . 1 . 2 . 3]" 1
1030 1 82 VAL HA 1 85 MET H 3.170 . 4.640 3.541 3.009 4.341 . 0 0 "[ . 1 . 2 . 3]" 1
1031 1 82 VAL HA 1 85 MET QB 3.630 . 5.560 2.743 1.861 4.188 . 0 0 "[ . 1 . 2 . 3]" 1
1032 1 82 VAL HA 1 85 MET ME 3.850 . 6.000 3.529 2.500 4.111 . 0 0 "[ . 1 . 2 . 3]" 1
1033 1 82 VAL HB 1 83 ARG H 2.730 . 3.750 3.103 2.073 3.819 0.069 9 0 "[ . 1 . 2 . 3]" 1
1034 1 82 VAL QG 1 83 ARG H 3.220 . 4.740 3.084 1.973 3.546 . 0 0 "[ . 1 . 2 . 3]" 1
1035 1 82 VAL QG 1 85 MET ME 3.850 . 6.000 3.686 3.546 3.725 . 0 0 "[ . 1 . 2 . 3]" 1
1036 1 82 VAL QG 1 86 LYS QD 3.850 . 6.000 3.078 1.852 3.864 . 0 0 "[ . 1 . 2 . 3]" 1
1037 1 83 ARG H 1 83 ARG HA 2.690 . 3.670 2.848 2.696 2.912 . 0 0 "[ . 1 . 2 . 3]" 1
1038 1 83 ARG H 1 83 ARG QB 2.730 . 3.750 2.203 2.060 2.721 . 0 0 "[ . 1 . 2 . 3]" 1
1039 1 83 ARG H 1 83 ARG QG 3.120 . 4.540 3.415 2.018 3.982 . 0 0 "[ . 1 . 2 . 3]" 1
1040 1 83 ARG H 1 84 CYS H 2.750 . 3.810 2.617 2.354 3.164 . 0 0 "[ . 1 . 2 . 3]" 1
1041 1 83 ARG HA 1 83 ARG QG 3.170 . 4.640 2.211 1.938 3.291 . 0 0 "[ . 1 . 2 . 3]" 1
1042 1 83 ARG HA 1 84 CYS H 2.970 . 4.240 3.527 3.359 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
1043 1 83 ARG QB 1 83 ARG QD 2.870 . 4.040 2.108 1.876 2.495 . 0 0 "[ . 1 . 2 . 3]" 1
1044 1 83 ARG QB 1 84 CYS H 3.030 . 4.360 2.677 2.056 3.580 . 0 0 "[ . 1 . 2 . 3]" 1
1045 1 84 CYS H 1 84 CYS HA 2.630 . 3.560 2.892 2.804 2.916 . 0 0 "[ . 1 . 2 . 3]" 1
1046 1 84 CYS H 1 84 CYS QB 2.620 . 3.540 2.466 2.113 2.646 . 0 0 "[ . 1 . 2 . 3]" 1
1047 1 84 CYS H 1 85 MET QB 3.420 . 5.130 4.449 4.118 4.588 . 0 0 "[ . 1 . 2 . 3]" 1
1048 1 84 CYS H 1 85 MET QG 3.440 . 5.180 4.009 3.333 4.622 . 0 0 "[ . 1 . 2 . 3]" 1
1049 1 84 CYS HA 1 84 CYS QB 2.670 . 3.640 2.294 2.173 2.541 . 0 0 "[ . 1 . 2 . 3]" 1
1050 1 84 CYS HA 1 88 ASP HA 3.230 . 4.750 2.682 1.875 3.661 . 0 0 "[ . 1 . 2 . 3]" 1
1051 1 84 CYS QB 1 85 MET H 3.010 . 4.320 3.010 2.075 3.796 . 0 0 "[ . 1 . 2 . 3]" 1
1052 1 84 CYS QB 1 88 ASP HA 2.670 . 3.630 3.066 2.275 3.296 . 0 0 "[ . 1 . 2 . 3]" 1
1053 1 85 MET H 1 85 MET HA 2.630 . 3.560 2.813 2.686 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
1054 1 85 MET H 1 85 MET QB 2.930 . 4.160 2.431 2.203 2.627 . 0 0 "[ . 1 . 2 . 3]" 1
1055 1 85 MET H 1 85 MET QG 3.230 . 4.750 2.313 1.884 2.928 . 0 0 "[ . 1 . 2 . 3]" 1
1056 1 85 MET HA 1 85 MET QB 2.670 . 3.630 2.367 2.177 2.478 . 0 0 "[ . 1 . 2 . 3]" 1
1057 1 85 MET HA 1 85 MET ME 3.850 . 6.000 4.191 3.495 4.647 . 0 0 "[ . 1 . 2 . 3]" 1
1058 1 85 MET HA 1 85 MET QG 3.380 . 5.060 2.582 2.120 3.296 . 0 0 "[ . 1 . 2 . 3]" 1
1059 1 85 MET QB 1 86 LYS H 3.090 . 4.480 2.852 1.965 3.883 . 0 0 "[ . 1 . 2 . 3]" 1
1060 1 85 MET ME 2 2 ILE HA 4.000 . 6.000 4.897 4.308 5.031 . 0 0 "[ . 1 . 2 . 3]" 1
1061 1 85 MET ME 2 2 ILE MD 4.000 . 6.000 4.073 3.712 4.168 . 0 0 "[ . 1 . 2 . 3]" 1
1062 1 85 MET ME 2 4 ALA MB 4.000 . 6.000 3.986 3.181 4.175 . 0 0 "[ . 1 . 2 . 3]" 1
1063 1 86 LYS H 1 86 LYS HA 2.630 . 3.560 2.902 2.731 2.962 . 0 0 "[ . 1 . 2 . 3]" 1
1064 1 86 LYS H 1 86 LYS HB2 2.870 . 4.040 2.375 2.110 2.941 . 0 0 "[ . 1 . 2 . 3]" 1
1065 1 86 LYS H 1 86 LYS HB3 2.910 . 4.120 3.543 3.234 3.929 . 0 0 "[ . 1 . 2 . 3]" 1
1066 1 86 LYS H 1 86 LYS QD 3.730 . 5.760 3.848 1.831 5.037 . 0 0 "[ . 1 . 2 . 3]" 1
1067 1 86 LYS H 1 86 LYS QG 2.920 . 4.140 3.076 1.914 3.705 . 0 0 "[ . 1 . 2 . 3]" 1
1068 1 86 LYS H 1 87 ASP H 3.260 . 4.820 2.671 1.881 4.191 . 0 0 "[ . 1 . 2 . 3]" 1
1069 1 86 LYS HA 1 86 LYS HB2 2.900 . 4.100 2.971 2.851 3.031 . 0 0 "[ . 1 . 2 . 3]" 1
1070 1 86 LYS HA 1 86 LYS HB3 2.830 . 3.960 2.627 2.318 2.852 . 0 0 "[ . 1 . 2 . 3]" 1
1071 1 86 LYS HA 1 86 LYS QD 3.200 . 4.700 3.508 1.987 4.194 . 0 0 "[ . 1 . 2 . 3]" 1
1072 1 86 LYS HA 1 86 LYS QG 2.770 . 3.840 2.208 1.906 3.183 . 0 0 "[ . 1 . 2 . 3]" 1
1073 1 86 LYS HA 1 87 ASP H 2.770 . 3.850 3.283 2.181 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
1074 1 86 LYS HB2 1 87 ASP H 3.750 . 5.800 3.178 1.899 4.588 . 0 0 "[ . 1 . 2 . 3]" 1
1075 1 86 LYS HB3 1 86 LYS QG 2.660 . 3.620 2.359 2.165 2.534 . 0 0 "[ . 1 . 2 . 3]" 1
1076 1 86 LYS HB3 1 87 ASP H 3.750 . 5.790 3.479 2.308 4.499 . 0 0 "[ . 1 . 2 . 3]" 1
1077 1 86 LYS QE 1 86 LYS QG 2.730 . 3.770 2.121 1.890 2.596 . 0 0 "[ . 1 . 2 . 3]" 1
1078 1 86 LYS QG 1 87 ASP H 3.850 . 6.000 4.284 3.536 4.799 . 0 0 "[ . 1 . 2 . 3]" 1
1079 1 87 ASP H 1 87 ASP HB2 3.110 . 4.520 2.922 2.262 3.786 . 0 0 "[ . 1 . 2 . 3]" 1
1080 1 87 ASP H 1 87 ASP HB3 3.260 . 4.820 3.784 3.289 4.092 . 0 0 "[ . 1 . 2 . 3]" 1
1081 1 87 ASP HA 1 87 ASP HB3 2.650 . 3.610 2.629 2.301 2.847 . 0 0 "[ . 1 . 2 . 3]" 1
1082 1 88 ASP H 1 88 ASP HA 2.610 . 3.530 2.794 2.695 2.939 . 0 0 "[ . 1 . 2 . 3]" 1
1083 1 88 ASP H 1 88 ASP QB 2.980 . 4.260 2.438 2.158 2.768 . 0 0 "[ . 1 . 2 . 3]" 1
1084 1 88 ASP H 1 89 SER H 3.310 . 4.920 4.492 4.111 4.652 . 0 0 "[ . 1 . 2 . 3]" 1
1085 1 88 ASP HA 1 89 SER H 2.960 . 4.220 2.251 2.141 2.553 . 0 0 "[ . 1 . 2 . 3]" 1
1086 1 89 SER H 1 89 SER QB 3.180 . 4.660 2.790 2.163 3.446 . 0 0 "[ . 1 . 2 . 3]" 1
1087 1 89 SER HA 1 89 SER QB 2.650 . 3.590 2.335 2.156 2.539 . 0 0 "[ . 1 . 2 . 3]" 1
1088 2 1 ARG HA 2 2 ILE H 4.000 . 6.000 2.531 2.148 3.548 . 0 0 "[ . 1 . 2 . 3]" 1
1089 2 2 ILE HA 2 3 SER H 4.000 . 6.000 2.434 2.138 3.552 . 0 0 "[ . 1 . 2 . 3]" 1
1090 2 2 ILE QG 2 3 SER H 4.000 . 6.000 4.043 2.113 4.856 . 0 0 "[ . 1 . 2 . 3]" 1
1091 2 3 SER H 2 4 ALA MB 4.000 . 6.000 4.876 4.142 5.843 . 0 0 "[ . 1 . 2 . 3]" 1
1092 2 3 SER HA 2 4 ALA H 4.000 . 6.000 3.124 2.138 3.576 . 0 0 "[ . 1 . 2 . 3]" 1
1093 2 4 ALA HA 2 5 ASP H 4.000 . 6.000 3.450 3.320 3.567 . 0 0 "[ . 1 . 2 . 3]" 1
1094 2 4 ALA HA 2 7 MET H 3.000 . 4.000 3.361 2.815 4.012 0.012 9 0 "[ . 1 . 2 . 3]" 1
1095 2 4 ALA MB 2 5 ASP H 4.000 . 6.000 2.868 2.248 3.247 . 0 0 "[ . 1 . 2 . 3]" 1
1096 2 4 ALA MB 2 7 MET H 4.000 . 6.000 4.490 3.873 4.998 . 0 0 "[ . 1 . 2 . 3]" 1
1097 2 5 ASP H 2 6 ALA H 4.000 . 6.000 2.662 2.305 3.092 . 0 0 "[ . 1 . 2 . 3]" 1
1098 2 5 ASP HA 2 6 ALA H 4.000 . 6.000 3.510 3.334 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
1099 2 5 ASP HA 2 8 MET H 3.500 . 5.000 3.618 3.146 4.279 . 0 0 "[ . 1 . 2 . 3]" 1
1100 2 5 ASP QB 2 6 ALA H 4.000 . 6.000 2.775 2.224 3.649 . 0 0 "[ . 1 . 2 . 3]" 1
1101 2 6 ALA H 2 7 MET H 4.000 . 6.000 2.561 2.297 2.854 . 0 0 "[ . 1 . 2 . 3]" 1
1102 2 6 ALA HA 2 7 MET H 4.000 . 6.000 3.508 3.358 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
1103 2 6 ALA HA 2 9 GLN H 4.000 . 6.000 3.766 3.068 4.659 . 0 0 "[ . 1 . 2 . 3]" 1
1104 2 6 ALA HA 2 9 GLN QB 4.000 . 6.000 3.491 2.202 4.724 . 0 0 "[ . 1 . 2 . 3]" 1
1105 2 6 ALA MB 2 7 MET H 4.000 . 6.000 2.691 2.267 3.148 . 0 0 "[ . 1 . 2 . 3]" 1
1106 2 7 MET HA 2 9 GLN H 4.000 . 6.000 3.855 3.347 4.537 . 0 0 "[ . 1 . 2 . 3]" 1
1107 2 8 MET HA 2 9 GLN H 4.000 . 6.000 3.473 3.343 3.561 . 0 0 "[ . 1 . 2 . 3]" 1
1108 2 8 MET HA 2 11 LEU H 3.500 . 5.000 3.288 2.844 3.972 . 0 0 "[ . 1 . 2 . 3]" 1
1109 2 8 MET HA 2 11 LEU QD 4.000 . 6.000 2.254 1.777 4.316 0.223 15 0 "[ . 1 . 2 . 3]" 1
1110 2 8 MET QB 2 9 GLN H 4.000 . 6.000 2.924 2.472 3.299 . 0 0 "[ . 1 . 2 . 3]" 1
1111 2 9 GLN H 2 10 ALA H 4.000 . 6.000 2.714 2.324 3.093 . 0 0 "[ . 1 . 2 . 3]" 1
1112 2 9 GLN HA 2 10 ALA H 4.000 . 6.000 3.535 3.452 3.575 . 0 0 "[ . 1 . 2 . 3]" 1
1113 2 9 GLN HA 2 12 LEU H 3.500 . 5.000 4.274 3.328 5.013 0.013 3 0 "[ . 1 . 2 . 3]" 1
1114 2 9 GLN HA 2 12 LEU QB 4.000 . 6.000 3.334 2.106 5.029 . 0 0 "[ . 1 . 2 . 3]" 1
1115 2 9 GLN HA 2 12 LEU HG 4.000 . 6.000 4.656 3.039 6.364 0.364 26 0 "[ . 1 . 2 . 3]" 1
1116 2 9 GLN QB 2 10 ALA H 4.000 . 6.000 2.586 2.268 2.968 . 0 0 "[ . 1 . 2 . 3]" 1
1117 2 10 ALA HA 2 13 GLY QA 4.000 . 6.000 7.593 5.390 8.987 2.987 27 24 "[*** * ***1****** *******.*+ -*]" 1
1118 2 10 ALA MB 2 12 LEU H 4.000 . 6.000 4.752 4.123 5.450 . 0 0 "[ . 1 . 2 . 3]" 1
1119 2 11 LEU H 2 12 LEU H 4.000 . 6.000 2.733 1.977 3.444 0.023 8 0 "[ . 1 . 2 . 3]" 1
1120 2 11 LEU H 2 12 LEU QB 4.000 . 6.000 4.032 3.513 4.703 . 0 0 "[ . 1 . 2 . 3]" 1
1121 2 11 LEU H 2 12 LEU HG 4.000 . 6.000 5.201 4.273 6.123 0.123 29 0 "[ . 1 . 2 . 3]" 1
1122 2 11 LEU HA 2 12 LEU H 4.000 . 6.000 2.942 2.406 3.562 . 0 0 "[ . 1 . 2 . 3]" 1
1123 2 11 LEU HG 2 12 LEU H 4.000 . 6.000 5.071 2.788 5.944 . 0 0 "[ . 1 . 2 . 3]" 1
1124 2 12 LEU HG 2 13 GLY H 4.000 . 6.000 4.348 2.104 5.093 . 0 0 "[ . 1 . 2 . 3]" 1
1125 2 13 GLY QA 2 16 ALA H 3.500 . 5.000 3.869 3.228 4.464 . 0 0 "[ . 1 . 2 . 3]" 1
1126 2 13 GLY QA 2 16 ALA HA 4.000 . 6.000 5.183 3.731 6.575 0.575 2 1 "[ + . 1 . 2 . 3]" 1
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