NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
559330 |
2m2d   |
18908 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m2d
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 1429
_Distance_constraint_stats_list.Viol_count 48
_Distance_constraint_stats_list.Viol_total 48.983
_Distance_constraint_stats_list.Viol_max 0.061
_Distance_constraint_stats_list.Viol_rms 0.0010
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0292
_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 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 4 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 5 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 6 SER 0.007 0.007 17 0 "[ . 1 . 2 . 3 .]"
1 7 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 8 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 9 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 10 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 11 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 12 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 13 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 14 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 15 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 16 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 17 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 18 ALA 1.228 0.061 14 0 "[ . 1 . 2 . 3 .]"
1 19 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 20 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 21 THR 0.007 0.007 17 0 "[ . 1 . 2 . 3 .]"
1 22 CYS 0.078 0.014 24 0 "[ . 1 . 2 . 3 .]"
1 23 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 24 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 25 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 26 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 28 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 29 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 30 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 31 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 32 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 33 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 34 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 35 TRP 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 36 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 37 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 38 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 39 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 40 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 41 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 42 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 43 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 44 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 45 ASP 0.035 0.035 5 0 "[ . 1 . 2 . 3 .]"
1 46 LYS 0.035 0.035 5 0 "[ . 1 . 2 . 3 .]"
1 47 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 49 ALA 0.051 0.051 7 0 "[ . 1 . 2 . 3 .]"
1 50 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 51 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 52 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 53 ASP 0.051 0.051 7 0 "[ . 1 . 2 . 3 .]"
1 54 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 55 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 56 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 57 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 59 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 60 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 61 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 62 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 63 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 64 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 65 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 66 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 67 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 68 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 69 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 70 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 72 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 73 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 74 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 75 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 76 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 77 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 78 VAL 1.228 0.061 14 0 "[ . 1 . 2 . 3 .]"
1 79 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 80 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 81 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 82 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 83 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 84 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 85 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 86 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 87 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 88 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 89 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 90 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 91 CYS 0.078 0.014 24 0 "[ . 1 . 2 . 3 .]"
1 92 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 93 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 94 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 95 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 96 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 97 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 98 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 99 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 100 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 101 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 102 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 103 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 104 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 105 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 106 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 107 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 108 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 109 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 110 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 111 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 112 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 113 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 114 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 115 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 116 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 117 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 118 GLU 0.000 0.000 . 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 PRO HA 1 4 THR H 3.350 . 3.850 2.190 2.090 2.333 . 0 0 "[ . 1 . 2 . 3 .]" 1
2 1 3 PRO HA 1 23 SER H 4.490 . 4.990 4.512 4.363 4.591 . 0 0 "[ . 1 . 2 . 3 .]" 1
3 1 3 PRO HA 1 24 PHE H 5.150 . 5.650 4.774 4.098 5.163 . 0 0 "[ . 1 . 2 . 3 .]" 1
4 1 3 PRO HA 1 24 PHE HA 4.580 . 5.080 2.698 2.177 3.341 . 0 0 "[ . 1 . 2 . 3 .]" 1
5 1 3 PRO HA 1 24 PHE QD 4.920 . 5.420 4.098 3.452 4.438 . 0 0 "[ . 1 . 2 . 3 .]" 1
6 1 3 PRO QB 1 4 THR H 4.520 . 5.020 3.213 2.659 3.716 . 0 0 "[ . 1 . 2 . 3 .]" 1
7 1 3 PRO QB 1 24 PHE QB 5.660 . 6.160 3.789 2.423 4.506 . 0 0 "[ . 1 . 2 . 3 .]" 1
8 1 3 PRO HB2 1 4 THR H 4.590 . 5.090 3.636 2.733 4.224 . 0 0 "[ . 1 . 2 . 3 .]" 1
9 1 3 PRO HB3 1 4 THR H 4.590 . 5.090 3.718 2.924 4.338 . 0 0 "[ . 1 . 2 . 3 .]" 1
10 1 4 THR H 1 5 PHE H 4.450 . 4.950 4.369 4.182 4.474 . 0 0 "[ . 1 . 2 . 3 .]" 1
11 1 4 THR H 1 23 SER H 3.850 . 4.350 2.936 2.731 3.079 . 0 0 "[ . 1 . 2 . 3 .]" 1
12 1 4 THR H 1 23 SER QB 5.530 . 6.030 3.573 2.409 4.717 . 0 0 "[ . 1 . 2 . 3 .]" 1
13 1 4 THR HA 1 5 PHE H 3.150 . 3.650 2.242 2.092 2.463 . 0 0 "[ . 1 . 2 . 3 .]" 1
14 1 4 THR HB 1 5 PHE H 3.780 . 4.280 3.617 2.453 3.869 . 0 0 "[ . 1 . 2 . 3 .]" 1
15 1 4 THR MG 1 5 PHE H 4.840 . 5.340 3.195 2.238 3.843 . 0 0 "[ . 1 . 2 . 3 .]" 1
16 1 4 THR O 1 23 SER H 2.000 . 2.500 1.968 1.841 2.032 . 0 0 "[ . 1 . 2 . 3 .]" 1
17 1 4 THR O 1 23 SER N 3.000 2.700 3.500 2.956 2.855 3.015 . 0 0 "[ . 1 . 2 . 3 .]" 1
18 1 5 PHE H 1 5 PHE HB2 4.160 . 4.660 3.157 2.798 3.940 . 0 0 "[ . 1 . 2 . 3 .]" 1
19 1 5 PHE H 1 5 PHE HB3 4.160 . 4.660 3.203 2.736 3.944 . 0 0 "[ . 1 . 2 . 3 .]" 1
20 1 5 PHE H 1 6 SER H 4.640 . 5.140 4.203 3.844 4.491 . 0 0 "[ . 1 . 2 . 3 .]" 1
21 1 5 PHE HA 1 5 PHE QD 4.240 . 4.740 2.421 2.085 3.666 . 0 0 "[ . 1 . 2 . 3 .]" 1
22 1 5 PHE HA 1 6 SER H 3.090 . 3.590 2.184 2.127 2.284 . 0 0 "[ . 1 . 2 . 3 .]" 1
23 1 5 PHE HA 1 21 THR H 5.330 . 5.830 4.801 4.608 5.038 . 0 0 "[ . 1 . 2 . 3 .]" 1
24 1 5 PHE HA 1 22 CYS HA 3.770 . 4.270 2.402 2.257 2.570 . 0 0 "[ . 1 . 2 . 3 .]" 1
25 1 5 PHE QB 1 108 ALA MB 6.310 . 6.810 3.305 2.188 4.692 . 0 0 "[ . 1 . 2 . 3 .]" 1
26 1 5 PHE HB2 1 6 SER H 4.710 . 5.210 4.188 2.577 4.533 . 0 0 "[ . 1 . 2 . 3 .]" 1
27 1 5 PHE HB3 1 6 SER H 4.710 . 5.210 3.920 2.943 4.474 . 0 0 "[ . 1 . 2 . 3 .]" 1
28 1 5 PHE QD 1 6 SER H 4.780 . 5.280 3.726 2.724 4.368 . 0 0 "[ . 1 . 2 . 3 .]" 1
29 1 5 PHE QD 1 22 CYS H 5.860 . 6.360 4.486 3.816 5.297 . 0 0 "[ . 1 . 2 . 3 .]" 1
30 1 5 PHE QD 1 22 CYS HA 4.190 . 4.690 2.568 2.099 3.310 . 0 0 "[ . 1 . 2 . 3 .]" 1
31 1 5 PHE QD 1 22 CYS HB2 4.660 . 5.160 2.727 2.080 4.205 . 0 0 "[ . 1 . 2 . 3 .]" 1
32 1 5 PHE QD 1 22 CYS QB 4.540 . 5.040 2.402 2.070 3.419 . 0 0 "[ . 1 . 2 . 3 .]" 1
33 1 5 PHE QD 1 22 CYS HB3 4.660 . 5.160 3.634 2.511 4.197 . 0 0 "[ . 1 . 2 . 3 .]" 1
34 1 5 PHE QD 1 23 SER H 5.690 . 6.190 4.089 2.634 5.083 . 0 0 "[ . 1 . 2 . 3 .]" 1
35 1 5 PHE QD 1 76 MET ME 6.660 . 7.160 4.677 3.711 5.015 . 0 0 "[ . 1 . 2 . 3 .]" 1
36 1 5 PHE QD 1 108 ALA H 5.250 . 5.750 3.352 2.613 4.689 . 0 0 "[ . 1 . 2 . 3 .]" 1
37 1 5 PHE QD 1 108 ALA MB 4.840 . 5.340 2.795 2.104 3.627 . 0 0 "[ . 1 . 2 . 3 .]" 1
38 1 6 SER H 1 21 THR H 3.990 . 4.490 3.109 2.954 3.292 . 0 0 "[ . 1 . 2 . 3 .]" 1
39 1 6 SER H 1 21 THR O 2.000 . 2.500 1.885 1.829 1.959 . 0 0 "[ . 1 . 2 . 3 .]" 1
40 1 6 SER H 1 22 CYS HA 4.230 . 4.730 3.720 3.440 3.886 . 0 0 "[ . 1 . 2 . 3 .]" 1
41 1 6 SER HA 1 7 PRO HA 3.320 . 3.820 2.535 2.323 2.771 . 0 0 "[ . 1 . 2 . 3 .]" 1
42 1 6 SER HA 1 7 PRO HB3 5.070 . 5.570 4.668 4.500 4.848 . 0 0 "[ . 1 . 2 . 3 .]" 1
43 1 6 SER HA 1 8 ALA HA 4.590 . 5.090 3.849 3.594 4.159 . 0 0 "[ . 1 . 2 . 3 .]" 1
44 1 6 SER QB 1 7 PRO HA 3.640 . 4.140 2.080 2.006 2.184 . 0 0 "[ . 1 . 2 . 3 .]" 1
45 1 6 SER QB 1 7 PRO HB2 5.320 . 5.820 4.603 4.459 4.722 . 0 0 "[ . 1 . 2 . 3 .]" 1
46 1 6 SER QB 1 7 PRO HB3 4.910 . 5.410 3.787 3.559 3.995 . 0 0 "[ . 1 . 2 . 3 .]" 1
47 1 6 SER QB 1 8 ALA H 4.280 . 4.780 3.834 3.735 3.885 . 0 0 "[ . 1 . 2 . 3 .]" 1
48 1 6 SER N 1 21 THR O 3.000 2.700 3.500 2.888 2.840 2.950 . 0 0 "[ . 1 . 2 . 3 .]" 1
49 1 6 SER O 1 21 THR H 2.000 . 2.500 1.840 1.793 1.943 0.007 17 0 "[ . 1 . 2 . 3 .]" 1
50 1 6 SER O 1 21 THR N 3.000 2.700 3.500 2.846 2.805 2.955 . 0 0 "[ . 1 . 2 . 3 .]" 1
51 1 7 PRO HA 1 8 ALA H 3.130 . 3.630 2.343 2.255 2.441 . 0 0 "[ . 1 . 2 . 3 .]" 1
52 1 7 PRO HA 1 8 ALA MB 5.130 . 5.630 4.112 4.065 4.183 . 0 0 "[ . 1 . 2 . 3 .]" 1
53 1 7 PRO HB2 1 8 ALA H 3.500 . 4.000 2.838 2.604 3.046 . 0 0 "[ . 1 . 2 . 3 .]" 1
54 1 7 PRO HB2 1 9 LEU H 3.350 . 3.850 2.340 2.292 2.400 . 0 0 "[ . 1 . 2 . 3 .]" 1
55 1 7 PRO HB3 1 8 ALA H 3.720 . 4.220 3.670 3.559 3.738 . 0 0 "[ . 1 . 2 . 3 .]" 1
56 1 7 PRO HB3 1 9 LEU H 4.050 . 4.550 4.089 4.059 4.113 . 0 0 "[ . 1 . 2 . 3 .]" 1
57 1 7 PRO QD 1 10 LEU HB2 5.040 . 5.540 2.957 2.739 3.081 . 0 0 "[ . 1 . 2 . 3 .]" 1
58 1 7 PRO QD 1 10 LEU MD1 6.200 . 6.700 3.156 2.795 3.342 . 0 0 "[ . 1 . 2 . 3 .]" 1
59 1 7 PRO QD 1 10 LEU MD2 6.200 . 6.700 3.207 2.959 3.445 . 0 0 "[ . 1 . 2 . 3 .]" 1
60 1 7 PRO QD 1 20 PHE HA 5.070 . 5.570 2.673 2.547 2.811 . 0 0 "[ . 1 . 2 . 3 .]" 1
61 1 7 PRO QD 1 20 PHE QD 5.140 . 5.640 2.541 2.309 3.023 . 0 0 "[ . 1 . 2 . 3 .]" 1
62 1 7 PRO QD 1 21 THR H 4.880 . 5.380 3.446 3.271 3.557 . 0 0 "[ . 1 . 2 . 3 .]" 1
63 1 7 PRO QG 1 9 LEU H 4.650 . 5.150 3.371 3.248 3.552 . 0 0 "[ . 1 . 2 . 3 .]" 1
64 1 7 PRO QG 1 10 LEU CG 6.220 . 6.720 3.765 3.599 3.888 . 0 0 "[ . 1 . 2 . 3 .]" 1
65 1 7 PRO QG 1 10 LEU HA 4.870 . 5.370 2.736 2.425 2.903 . 0 0 "[ . 1 . 2 . 3 .]" 1
66 1 7 PRO QG 1 10 LEU HB2 5.050 . 5.550 2.237 2.147 2.311 . 0 0 "[ . 1 . 2 . 3 .]" 1
67 1 8 ALA H 1 8 ALA MB 3.400 . 3.900 2.211 2.189 2.237 . 0 0 "[ . 1 . 2 . 3 .]" 1
68 1 8 ALA H 1 9 LEU H 3.150 . 3.650 2.741 2.645 2.860 . 0 0 "[ . 1 . 2 . 3 .]" 1
69 1 8 ALA HA 1 108 ALA HA 3.820 . 4.320 2.744 2.404 3.226 . 0 0 "[ . 1 . 2 . 3 .]" 1
70 1 8 ALA HA 1 108 ALA MB 4.520 . 5.020 2.756 2.166 3.340 . 0 0 "[ . 1 . 2 . 3 .]" 1
71 1 8 ALA HA 1 109 GLU H 4.610 . 5.110 3.673 3.506 3.892 . 0 0 "[ . 1 . 2 . 3 .]" 1
72 1 8 ALA MB 1 9 LEU H 3.720 . 4.220 2.845 2.733 2.998 . 0 0 "[ . 1 . 2 . 3 .]" 1
73 1 8 ALA MB 1 9 LEU HA 5.900 . 6.400 4.437 4.384 4.472 . 0 0 "[ . 1 . 2 . 3 .]" 1
74 1 8 ALA MB 1 108 ALA HA 5.210 . 5.710 3.809 3.509 4.004 . 0 0 "[ . 1 . 2 . 3 .]" 1
75 1 8 ALA MB 1 109 GLU QG 6.320 . 6.820 4.653 4.279 4.716 . 0 0 "[ . 1 . 2 . 3 .]" 1
76 1 8 ALA O 1 109 GLU H 2.000 . 2.500 1.953 1.833 2.045 . 0 0 "[ . 1 . 2 . 3 .]" 1
77 1 8 ALA O 1 109 GLU N 3.000 2.700 3.500 2.875 2.830 2.951 . 0 0 "[ . 1 . 2 . 3 .]" 1
78 1 9 LEU CG 1 10 LEU H 5.340 . 5.840 3.755 3.573 4.013 . 0 0 "[ . 1 . 2 . 3 .]" 1
79 1 9 LEU CG 1 11 VAL HA 7.150 . 7.650 5.566 5.368 6.257 . 0 0 "[ . 1 . 2 . 3 .]" 1
80 1 9 LEU CG 1 109 GLU H 6.490 . 6.990 5.411 5.009 5.678 . 0 0 "[ . 1 . 2 . 3 .]" 1
81 1 9 LEU CG 1 109 GLU QB 6.230 . 6.730 4.009 3.537 5.584 . 0 0 "[ . 1 . 2 . 3 .]" 1
82 1 9 LEU CG 1 109 GLU QG 6.340 . 6.840 5.096 2.953 5.655 . 0 0 "[ . 1 . 2 . 3 .]" 1
83 1 9 LEU CG 1 111 ARG QB 6.480 . 6.980 4.204 4.085 4.460 . 0 0 "[ . 1 . 2 . 3 .]" 1
84 1 9 LEU CG 1 111 ARG QD 6.410 . 6.910 4.889 4.641 5.728 . 0 0 "[ . 1 . 2 . 3 .]" 1
85 1 9 LEU CG 1 111 ARG QG 6.900 . 7.400 6.121 5.335 6.184 . 0 0 "[ . 1 . 2 . 3 .]" 1
86 1 9 LEU H 1 9 LEU HB2 3.560 . 4.060 3.411 2.827 3.537 . 0 0 "[ . 1 . 2 . 3 .]" 1
87 1 9 LEU H 1 9 LEU QB 3.380 . 3.880 2.676 2.570 2.750 . 0 0 "[ . 1 . 2 . 3 .]" 1
88 1 9 LEU H 1 9 LEU HB3 3.560 . 4.060 2.808 2.709 3.058 . 0 0 "[ . 1 . 2 . 3 .]" 1
89 1 9 LEU H 1 9 LEU HG 4.380 . 4.880 4.403 4.275 4.533 . 0 0 "[ . 1 . 2 . 3 .]" 1
90 1 9 LEU H 1 10 LEU H 4.320 . 4.820 4.059 3.928 4.130 . 0 0 "[ . 1 . 2 . 3 .]" 1
91 1 9 LEU HA 1 9 LEU HG 4.150 . 4.650 3.224 2.266 3.446 . 0 0 "[ . 1 . 2 . 3 .]" 1
92 1 9 LEU HA 1 10 LEU H 2.860 . 3.360 2.131 2.103 2.184 . 0 0 "[ . 1 . 2 . 3 .]" 1
93 1 9 LEU HA 1 10 LEU HB3 5.360 . 5.860 4.526 4.462 4.646 . 0 0 "[ . 1 . 2 . 3 .]" 1
94 1 9 LEU HA 1 109 GLU H 3.540 . 4.040 2.759 2.560 2.988 . 0 0 "[ . 1 . 2 . 3 .]" 1
95 1 9 LEU HA 1 109 GLU QG 4.690 . 5.190 3.832 2.352 4.201 . 0 0 "[ . 1 . 2 . 3 .]" 1
96 1 9 LEU HG 1 10 LEU H 4.080 . 4.580 3.579 2.825 4.084 . 0 0 "[ . 1 . 2 . 3 .]" 1
97 1 10 LEU CG 1 11 VAL CB 8.910 . 9.410 6.030 5.917 6.095 . 0 0 "[ . 1 . 2 . 3 .]" 1
98 1 10 LEU CG 1 11 VAL H 5.440 . 5.940 3.649 3.489 3.700 . 0 0 "[ . 1 . 2 . 3 .]" 1
99 1 10 LEU CG 1 11 VAL HB 6.990 . 7.490 6.191 6.031 6.317 . 0 0 "[ . 1 . 2 . 3 .]" 1
100 1 10 LEU CG 1 12 VAL H 6.800 . 7.300 5.280 5.244 5.305 . 0 0 "[ . 1 . 2 . 3 .]" 1
101 1 10 LEU CG 1 12 VAL MG1 6.300 . 6.800 3.075 2.899 3.256 . 0 0 "[ . 1 . 2 . 3 .]" 1
102 1 10 LEU CG 1 12 VAL MG2 7.420 . 7.920 4.647 4.325 4.783 . 0 0 "[ . 1 . 2 . 3 .]" 1
103 1 10 LEU CG 1 18 ALA HA 6.270 . 6.770 4.545 4.381 4.864 . 0 0 "[ . 1 . 2 . 3 .]" 1
104 1 10 LEU CG 1 18 ALA MB 6.240 . 6.740 3.623 3.424 3.945 . 0 0 "[ . 1 . 2 . 3 .]" 1
105 1 10 LEU CG 1 19 THR H 5.600 . 6.100 4.424 4.182 4.690 . 0 0 "[ . 1 . 2 . 3 .]" 1
106 1 10 LEU CG 1 20 PHE HA 6.780 . 7.280 5.562 5.342 5.682 . 0 0 "[ . 1 . 2 . 3 .]" 1
107 1 10 LEU CG 1 20 PHE QD 7.130 . 7.630 5.036 4.620 5.204 . 0 0 "[ . 1 . 2 . 3 .]" 1
108 1 10 LEU CG 1 20 PHE QE 6.570 . 7.070 4.326 4.053 4.417 . 0 0 "[ . 1 . 2 . 3 .]" 1
109 1 10 LEU CG 1 21 THR H 7.640 . 8.140 7.633 7.396 7.686 . 0 0 "[ . 1 . 2 . 3 .]" 1
110 1 10 LEU CG 1 110 LEU MD1 6.310 . 6.810 3.278 3.021 3.499 . 0 0 "[ . 1 . 2 . 3 .]" 1
111 1 10 LEU H 1 10 LEU HB3 3.400 . 3.900 2.457 2.415 2.523 . 0 0 "[ . 1 . 2 . 3 .]" 1
112 1 10 LEU H 1 10 LEU HG 4.420 . 4.920 4.398 4.346 4.431 . 0 0 "[ . 1 . 2 . 3 .]" 1
113 1 10 LEU H 1 11 VAL H 4.490 . 4.990 4.409 4.315 4.479 . 0 0 "[ . 1 . 2 . 3 .]" 1
114 1 10 LEU H 1 20 PHE QE 4.770 . 5.270 3.167 2.917 3.824 . 0 0 "[ . 1 . 2 . 3 .]" 1
115 1 10 LEU H 1 108 ALA MB 5.980 . 6.480 4.512 4.239 4.914 . 0 0 "[ . 1 . 2 . 3 .]" 1
116 1 10 LEU H 1 109 GLU H 4.430 . 4.930 3.900 3.702 4.193 . 0 0 "[ . 1 . 2 . 3 .]" 1
117 1 10 LEU H 1 109 GLU O 2.000 . 2.500 1.869 1.823 1.943 . 0 0 "[ . 1 . 2 . 3 .]" 1
118 1 10 LEU H 1 110 LEU HA 3.830 . 4.330 3.049 2.865 3.223 . 0 0 "[ . 1 . 2 . 3 .]" 1
119 1 10 LEU H 1 111 ARG H 4.330 . 4.830 3.948 3.799 4.080 . 0 0 "[ . 1 . 2 . 3 .]" 1
120 1 10 LEU HA 1 11 VAL H 2.710 . 3.210 2.196 2.160 2.227 . 0 0 "[ . 1 . 2 . 3 .]" 1
121 1 10 LEU HB2 1 20 PHE QE 5.210 . 5.710 2.883 2.634 3.409 . 0 0 "[ . 1 . 2 . 3 .]" 1
122 1 10 LEU HB2 1 110 LEU HA 5.210 . 5.710 4.378 4.273 4.492 . 0 0 "[ . 1 . 2 . 3 .]" 1
123 1 10 LEU HB2 1 110 LEU MD1 5.540 . 6.040 4.034 3.721 4.239 . 0 0 "[ . 1 . 2 . 3 .]" 1
124 1 10 LEU HB3 1 11 VAL H 4.460 . 4.960 4.303 4.233 4.339 . 0 0 "[ . 1 . 2 . 3 .]" 1
125 1 10 LEU HB3 1 20 PHE QD 5.620 . 6.120 4.422 3.785 4.582 . 0 0 "[ . 1 . 2 . 3 .]" 1
126 1 10 LEU HB3 1 20 PHE QE 4.070 . 4.570 2.984 2.451 3.177 . 0 0 "[ . 1 . 2 . 3 .]" 1
127 1 10 LEU HB3 1 110 LEU HA 4.480 . 4.980 2.720 2.567 2.815 . 0 0 "[ . 1 . 2 . 3 .]" 1
128 1 10 LEU HB3 1 110 LEU MD1 4.680 . 5.180 2.687 2.376 2.897 . 0 0 "[ . 1 . 2 . 3 .]" 1
129 1 10 LEU HB3 1 111 ARG H 4.730 . 5.230 3.832 3.720 3.938 . 0 0 "[ . 1 . 2 . 3 .]" 1
130 1 10 LEU MD1 1 11 VAL H 5.640 . 6.140 2.431 2.304 2.562 . 0 0 "[ . 1 . 2 . 3 .]" 1
131 1 10 LEU MD1 1 12 VAL MG1 5.610 . 6.110 2.750 2.476 2.886 . 0 0 "[ . 1 . 2 . 3 .]" 1
132 1 10 LEU MD1 1 18 ALA MB 6.060 . 6.560 3.905 3.689 4.203 . 0 0 "[ . 1 . 2 . 3 .]" 1
133 1 10 LEU MD1 1 19 THR H 5.800 . 6.300 3.549 3.280 3.795 . 0 0 "[ . 1 . 2 . 3 .]" 1
134 1 10 LEU MD1 1 110 LEU MD1 6.090 . 6.590 4.026 3.804 4.224 . 0 0 "[ . 1 . 2 . 3 .]" 1
135 1 10 LEU MD2 1 11 VAL H 5.640 . 6.140 4.692 4.544 4.730 . 0 0 "[ . 1 . 2 . 3 .]" 1
136 1 10 LEU MD2 1 12 VAL MG1 5.610 . 6.110 2.795 2.542 2.996 . 0 0 "[ . 1 . 2 . 3 .]" 1
137 1 10 LEU MD2 1 18 ALA MB 6.060 . 6.560 2.131 2.066 2.289 . 0 0 "[ . 1 . 2 . 3 .]" 1
138 1 10 LEU MD2 1 19 THR H 5.800 . 6.300 2.301 2.087 2.576 . 0 0 "[ . 1 . 2 . 3 .]" 1
139 1 10 LEU MD2 1 110 LEU MD1 6.090 . 6.590 2.263 2.162 2.464 . 0 0 "[ . 1 . 2 . 3 .]" 1
140 1 10 LEU HG 1 12 VAL H 4.190 . 4.690 4.226 4.195 4.257 . 0 0 "[ . 1 . 2 . 3 .]" 1
141 1 10 LEU HG 1 12 VAL MG1 4.680 . 5.180 2.245 2.115 2.414 . 0 0 "[ . 1 . 2 . 3 .]" 1
142 1 10 LEU HG 1 12 VAL MG2 5.280 . 5.780 3.754 3.428 3.898 . 0 0 "[ . 1 . 2 . 3 .]" 1
143 1 10 LEU HG 1 110 LEU MD1 4.910 . 5.410 2.802 2.529 3.072 . 0 0 "[ . 1 . 2 . 3 .]" 1
144 1 10 LEU N 1 109 GLU O 3.000 2.700 3.500 2.876 2.833 2.947 . 0 0 "[ . 1 . 2 . 3 .]" 1
145 1 10 LEU O 1 111 ARG H 2.000 . 2.500 1.893 1.861 1.953 . 0 0 "[ . 1 . 2 . 3 .]" 1
146 1 10 LEU O 1 111 ARG N 3.000 2.700 3.500 2.857 2.831 2.898 . 0 0 "[ . 1 . 2 . 3 .]" 1
147 1 11 VAL CB 1 12 VAL H 5.300 . 5.800 3.546 3.458 3.615 . 0 0 "[ . 1 . 2 . 3 .]" 1
148 1 11 VAL CB 1 12 VAL HA 6.500 . 7.000 4.796 4.703 4.876 . 0 0 "[ . 1 . 2 . 3 .]" 1
149 1 11 VAL CB 1 111 ARG H 6.960 . 7.460 4.949 4.715 5.164 . 0 0 "[ . 1 . 2 . 3 .]" 1
150 1 11 VAL CB 1 111 ARG QB 6.290 . 6.790 3.454 3.138 3.670 . 0 0 "[ . 1 . 2 . 3 .]" 1
151 1 11 VAL CB 1 111 ARG QD 6.220 . 6.720 3.893 3.325 5.583 . 0 0 "[ . 1 . 2 . 3 .]" 1
152 1 11 VAL CB 1 111 ARG QG 6.470 . 6.970 4.559 3.707 4.972 . 0 0 "[ . 1 . 2 . 3 .]" 1
153 1 11 VAL CB 1 113 THR H 6.600 . 7.100 5.950 5.788 6.049 . 0 0 "[ . 1 . 2 . 3 .]" 1
154 1 11 VAL CB 1 113 THR HB 7.100 . 7.600 7.142 7.112 7.191 . 0 0 "[ . 1 . 2 . 3 .]" 1
155 1 11 VAL CB 1 113 THR MG 5.980 . 6.480 4.116 3.953 4.185 . 0 0 "[ . 1 . 2 . 3 .]" 1
156 1 11 VAL H 1 11 VAL HB 3.110 . 3.610 2.812 2.700 3.132 . 0 0 "[ . 1 . 2 . 3 .]" 1
157 1 11 VAL H 1 12 VAL H 4.330 . 4.830 4.326 4.269 4.347 . 0 0 "[ . 1 . 2 . 3 .]" 1
158 1 11 VAL HA 1 12 VAL H 2.770 . 3.270 2.107 2.056 2.127 . 0 0 "[ . 1 . 2 . 3 .]" 1
159 1 11 VAL HA 1 12 VAL MG1 6.270 . 6.770 3.985 3.877 4.066 . 0 0 "[ . 1 . 2 . 3 .]" 1
160 1 11 VAL HA 1 111 ARG H 3.620 . 4.120 2.987 2.850 3.135 . 0 0 "[ . 1 . 2 . 3 .]" 1
161 1 11 VAL HA 1 111 ARG QB 4.670 . 5.170 2.369 2.171 2.625 . 0 0 "[ . 1 . 2 . 3 .]" 1
162 1 11 VAL HA 1 113 THR H 5.170 . 5.670 5.173 5.092 5.206 . 0 0 "[ . 1 . 2 . 3 .]" 1
163 1 11 VAL HA 1 113 THR MG 5.380 . 5.880 4.177 4.020 4.354 . 0 0 "[ . 1 . 2 . 3 .]" 1
164 1 11 VAL HB 1 12 VAL H 4.440 . 4.940 4.183 4.140 4.268 . 0 0 "[ . 1 . 2 . 3 .]" 1
165 1 11 VAL HB 1 113 THR MG 5.820 . 6.320 4.619 4.337 4.748 . 0 0 "[ . 1 . 2 . 3 .]" 1
166 1 11 VAL MG1 1 111 ARG H 6.610 . 7.110 4.624 4.361 5.497 . 0 0 "[ . 1 . 2 . 3 .]" 1
167 1 11 VAL MG1 1 111 ARG HD2 6.380 . 6.880 3.820 2.367 5.318 . 0 0 "[ . 1 . 2 . 3 .]" 1
168 1 11 VAL MG1 1 111 ARG HD3 6.380 . 6.880 3.296 2.353 5.331 . 0 0 "[ . 1 . 2 . 3 .]" 1
169 1 11 VAL MG2 1 111 ARG H 6.610 . 7.110 4.060 3.853 4.350 . 0 0 "[ . 1 . 2 . 3 .]" 1
170 1 11 VAL MG2 1 111 ARG HD2 6.380 . 6.880 3.193 2.348 4.636 . 0 0 "[ . 1 . 2 . 3 .]" 1
171 1 11 VAL MG2 1 111 ARG HD3 6.380 . 6.880 2.981 2.275 4.818 . 0 0 "[ . 1 . 2 . 3 .]" 1
172 1 12 VAL H 1 12 VAL MG1 4.280 . 4.780 3.067 3.014 3.120 . 0 0 "[ . 1 . 2 . 3 .]" 1
173 1 12 VAL H 1 12 VAL MG2 4.080 . 4.580 2.358 2.287 2.407 . 0 0 "[ . 1 . 2 . 3 .]" 1
174 1 12 VAL H 1 13 THR HA 5.150 . 5.650 5.052 4.962 5.127 . 0 0 "[ . 1 . 2 . 3 .]" 1
175 1 12 VAL H 1 110 LEU HA 5.500 . 6.000 5.520 5.504 5.540 . 0 0 "[ . 1 . 2 . 3 .]" 1
176 1 12 VAL H 1 110 LEU MD1 4.840 . 5.340 3.663 3.480 3.835 . 0 0 "[ . 1 . 2 . 3 .]" 1
177 1 12 VAL H 1 111 ARG H 4.330 . 4.830 3.822 3.721 3.915 . 0 0 "[ . 1 . 2 . 3 .]" 1
178 1 12 VAL H 1 111 ARG QG 5.900 . 6.400 4.313 4.053 5.028 . 0 0 "[ . 1 . 2 . 3 .]" 1
179 1 12 VAL H 1 111 ARG O 2.000 . 2.500 1.854 1.815 1.895 . 0 0 "[ . 1 . 2 . 3 .]" 1
180 1 12 VAL H 1 112 VAL HA 3.510 . 4.010 3.053 2.979 3.164 . 0 0 "[ . 1 . 2 . 3 .]" 1
181 1 12 VAL H 1 112 VAL MG1 6.210 . 6.710 4.611 4.443 4.726 . 0 0 "[ . 1 . 2 . 3 .]" 1
182 1 12 VAL H 1 113 THR H 3.910 . 4.410 3.759 3.675 3.860 . 0 0 "[ . 1 . 2 . 3 .]" 1
183 1 12 VAL H 1 113 THR MG 5.160 . 5.660 3.930 3.665 4.128 . 0 0 "[ . 1 . 2 . 3 .]" 1
184 1 12 VAL HA 1 13 THR H 2.830 . 3.330 2.426 2.358 2.538 . 0 0 "[ . 1 . 2 . 3 .]" 1
185 1 12 VAL HB 1 13 THR H 2.950 . 3.450 2.272 2.092 2.404 . 0 0 "[ . 1 . 2 . 3 .]" 1
186 1 12 VAL HB 1 16 ASP HB2 4.100 . 4.600 3.858 2.172 4.109 . 0 0 "[ . 1 . 2 . 3 .]" 1
187 1 12 VAL HB 1 16 ASP QB 3.950 . 4.450 2.362 2.132 2.521 . 0 0 "[ . 1 . 2 . 3 .]" 1
188 1 12 VAL HB 1 16 ASP HB3 4.100 . 4.600 2.409 2.260 3.097 . 0 0 "[ . 1 . 2 . 3 .]" 1
189 1 12 VAL HB 1 18 ALA MB 5.220 . 5.720 3.717 3.578 3.861 . 0 0 "[ . 1 . 2 . 3 .]" 1
190 1 12 VAL HB 1 110 LEU MD1 6.020 . 6.520 4.678 4.514 4.849 . 0 0 "[ . 1 . 2 . 3 .]" 1
191 1 12 VAL HB 1 112 VAL MG2 6.490 . 6.990 4.492 4.434 4.553 . 0 0 "[ . 1 . 2 . 3 .]" 1
192 1 12 VAL MG1 1 13 THR H 4.600 . 5.100 3.636 3.573 3.677 . 0 0 "[ . 1 . 2 . 3 .]" 1
193 1 12 VAL MG1 1 16 ASP QB 5.890 . 6.390 3.519 3.000 3.720 . 0 0 "[ . 1 . 2 . 3 .]" 1
194 1 12 VAL MG1 1 18 ALA H 5.480 . 5.980 4.010 3.781 4.317 . 0 0 "[ . 1 . 2 . 3 .]" 1
195 1 12 VAL MG1 1 18 ALA HA 4.350 . 4.850 2.239 2.111 2.375 . 0 0 "[ . 1 . 2 . 3 .]" 1
196 1 12 VAL MG1 1 18 ALA MB 5.020 . 5.520 2.209 2.090 2.311 . 0 0 "[ . 1 . 2 . 3 .]" 1
197 1 12 VAL MG1 1 19 THR H 4.900 . 5.400 3.813 3.617 3.950 . 0 0 "[ . 1 . 2 . 3 .]" 1
198 1 12 VAL MG1 1 81 ALA MB 6.660 . 7.160 3.986 3.798 4.313 . 0 0 "[ . 1 . 2 . 3 .]" 1
199 1 12 VAL MG1 1 112 VAL HA 5.870 . 6.370 4.793 4.716 4.891 . 0 0 "[ . 1 . 2 . 3 .]" 1
200 1 12 VAL MG2 1 13 THR H 4.220 . 4.720 3.345 3.151 3.492 . 0 0 "[ . 1 . 2 . 3 .]" 1
201 1 12 VAL MG2 1 13 THR HA 5.560 . 6.060 4.040 3.824 4.141 . 0 0 "[ . 1 . 2 . 3 .]" 1
202 1 12 VAL MG2 1 16 ASP H 5.100 . 5.600 4.154 3.936 4.258 . 0 0 "[ . 1 . 2 . 3 .]" 1
203 1 12 VAL MG2 1 16 ASP QB 5.120 . 5.620 3.346 2.953 3.510 . 0 0 "[ . 1 . 2 . 3 .]" 1
204 1 12 VAL MG2 1 18 ALA H 5.580 . 6.080 4.229 4.012 4.649 . 0 0 "[ . 1 . 2 . 3 .]" 1
205 1 12 VAL MG2 1 18 ALA HA 5.090 . 5.590 3.860 3.719 4.073 . 0 0 "[ . 1 . 2 . 3 .]" 1
206 1 12 VAL MG2 1 18 ALA MB 4.660 . 5.160 2.114 2.034 2.202 . 0 0 "[ . 1 . 2 . 3 .]" 1
207 1 12 VAL MG2 1 81 ALA MB 4.980 . 5.480 2.377 2.208 2.749 . 0 0 "[ . 1 . 2 . 3 .]" 1
208 1 12 VAL MG2 1 110 LEU MD1 5.600 . 6.100 2.276 2.175 2.419 . 0 0 "[ . 1 . 2 . 3 .]" 1
209 1 12 VAL MG2 1 110 LEU MD2 6.060 . 6.560 3.634 3.323 3.908 . 0 0 "[ . 1 . 2 . 3 .]" 1
210 1 12 VAL MG2 1 112 VAL H 5.200 . 5.700 4.334 4.269 4.361 . 0 0 "[ . 1 . 2 . 3 .]" 1
211 1 12 VAL MG2 1 112 VAL HA 4.520 . 5.020 2.396 2.314 2.480 . 0 0 "[ . 1 . 2 . 3 .]" 1
212 1 12 VAL MG2 1 112 VAL MG1 5.310 . 5.810 2.442 2.223 2.648 . 0 0 "[ . 1 . 2 . 3 .]" 1
213 1 12 VAL MG2 1 112 VAL MG2 4.790 . 5.290 2.094 2.048 2.138 . 0 0 "[ . 1 . 2 . 3 .]" 1
214 1 12 VAL MG2 1 113 THR H 4.940 . 5.440 3.635 3.500 3.775 . 0 0 "[ . 1 . 2 . 3 .]" 1
215 1 12 VAL N 1 111 ARG O 3.000 2.700 3.500 2.874 2.839 2.910 . 0 0 "[ . 1 . 2 . 3 .]" 1
216 1 12 VAL O 1 113 THR H 2.000 . 2.500 1.872 1.820 1.918 . 0 0 "[ . 1 . 2 . 3 .]" 1
217 1 12 VAL O 1 113 THR N 3.000 2.700 3.500 2.879 2.832 2.924 . 0 0 "[ . 1 . 2 . 3 .]" 1
218 1 13 THR H 1 13 THR HB 3.070 . 3.570 2.559 2.445 2.619 . 0 0 "[ . 1 . 2 . 3 .]" 1
219 1 13 THR H 1 16 ASP HB2 4.290 . 4.790 3.329 2.974 3.555 . 0 0 "[ . 1 . 2 . 3 .]" 1
220 1 13 THR H 1 16 ASP QB 4.120 . 4.620 2.666 2.443 2.998 . 0 0 "[ . 1 . 2 . 3 .]" 1
221 1 13 THR H 1 16 ASP HB3 4.290 . 4.790 2.837 2.555 4.021 . 0 0 "[ . 1 . 2 . 3 .]" 1
222 1 13 THR HA 1 14 GLU H 2.780 . 3.280 2.243 2.185 2.333 . 0 0 "[ . 1 . 2 . 3 .]" 1
223 1 13 THR HA 1 14 GLU HA 4.920 . 5.420 4.382 4.249 4.482 . 0 0 "[ . 1 . 2 . 3 .]" 1
224 1 13 THR HA 1 112 VAL HA 4.750 . 5.250 4.168 3.873 4.317 . 0 0 "[ . 1 . 2 . 3 .]" 1
225 1 13 THR HA 1 112 VAL MG1 5.220 . 5.720 3.562 3.148 3.772 . 0 0 "[ . 1 . 2 . 3 .]" 1
226 1 13 THR HA 1 113 THR H 3.380 . 3.880 2.815 2.513 2.926 . 0 0 "[ . 1 . 2 . 3 .]" 1
227 1 13 THR HA 1 113 THR MG 5.210 . 5.710 4.277 3.801 4.356 . 0 0 "[ . 1 . 2 . 3 .]" 1
228 1 13 THR HB 1 14 GLU H 4.320 . 4.820 3.915 3.831 4.043 . 0 0 "[ . 1 . 2 . 3 .]" 1
229 1 13 THR HB 1 16 ASP H 4.820 . 5.320 4.170 3.864 4.520 . 0 0 "[ . 1 . 2 . 3 .]" 1
230 1 13 THR HB 1 16 ASP QB 4.950 . 5.450 2.869 2.493 4.099 . 0 0 "[ . 1 . 2 . 3 .]" 1
231 1 13 THR HB 1 115 ARG HA 5.140 . 5.640 4.904 4.686 5.153 . 0 0 "[ . 1 . 2 . 3 .]" 1
232 1 13 THR MG 1 14 GLU H 3.790 . 4.290 2.337 2.225 2.421 . 0 0 "[ . 1 . 2 . 3 .]" 1
233 1 13 THR MG 1 14 GLU HA 5.630 . 6.130 4.192 4.101 4.254 . 0 0 "[ . 1 . 2 . 3 .]" 1
234 1 13 THR MG 1 14 GLU QB 6.070 . 6.570 3.140 2.836 3.428 . 0 0 "[ . 1 . 2 . 3 .]" 1
235 1 13 THR MG 1 14 GLU QG 7.410 . 7.910 4.615 3.896 4.940 . 0 0 "[ . 1 . 2 . 3 .]" 1
236 1 13 THR MG 1 16 ASP QB 6.590 . 7.090 3.992 3.604 4.902 . 0 0 "[ . 1 . 2 . 3 .]" 1
237 1 13 THR MG 1 113 THR H 5.430 . 5.930 4.522 4.345 4.560 . 0 0 "[ . 1 . 2 . 3 .]" 1
238 1 13 THR MG 1 115 ARG H 5.130 . 5.630 3.930 3.616 4.168 . 0 0 "[ . 1 . 2 . 3 .]" 1
239 1 13 THR MG 1 115 ARG HA 3.820 . 4.320 2.212 2.040 2.438 . 0 0 "[ . 1 . 2 . 3 .]" 1
240 1 13 THR MG 1 115 ARG QB 4.970 . 5.470 3.087 2.219 3.707 . 0 0 "[ . 1 . 2 . 3 .]" 1
241 1 13 THR MG 1 115 ARG QD 5.960 . 6.460 3.639 2.160 4.447 . 0 0 "[ . 1 . 2 . 3 .]" 1
242 1 13 THR MG 1 115 ARG QG 5.100 . 5.600 2.686 2.227 3.794 . 0 0 "[ . 1 . 2 . 3 .]" 1
243 1 13 THR MG 1 116 ARG H 4.720 . 5.220 2.974 2.090 3.773 . 0 0 "[ . 1 . 2 . 3 .]" 1
244 1 13 THR O 1 16 ASP H 2.000 . 2.500 2.031 2.006 2.053 . 0 0 "[ . 1 . 2 . 3 .]" 1
245 1 13 THR O 1 16 ASP N 3.000 2.700 3.500 2.986 2.952 3.016 . 0 0 "[ . 1 . 2 . 3 .]" 1
246 1 14 GLU H 1 14 GLU HB2 3.300 . 3.800 2.219 2.021 2.380 . 0 0 "[ . 1 . 2 . 3 .]" 1
247 1 14 GLU H 1 14 GLU HB3 3.300 . 3.800 2.962 2.509 3.466 . 0 0 "[ . 1 . 2 . 3 .]" 1
248 1 14 GLU H 1 14 GLU QG 4.390 . 4.890 3.486 2.447 3.946 . 0 0 "[ . 1 . 2 . 3 .]" 1
249 1 14 GLU H 1 15 GLY H 4.530 . 5.030 4.514 4.446 4.560 . 0 0 "[ . 1 . 2 . 3 .]" 1
250 1 14 GLU H 1 112 VAL HA 5.000 . 5.500 4.751 4.569 4.867 . 0 0 "[ . 1 . 2 . 3 .]" 1
251 1 14 GLU H 1 112 VAL MG1 4.120 . 4.620 2.934 2.777 3.104 . 0 0 "[ . 1 . 2 . 3 .]" 1
252 1 14 GLU H 1 113 THR H 4.220 . 4.720 3.739 3.558 3.954 . 0 0 "[ . 1 . 2 . 3 .]" 1
253 1 14 GLU H 1 113 THR O 2.000 . 2.500 1.897 1.816 2.034 . 0 0 "[ . 1 . 2 . 3 .]" 1
254 1 14 GLU H 1 114 GLU HA 4.200 . 4.700 3.758 3.512 4.062 . 0 0 "[ . 1 . 2 . 3 .]" 1
255 1 14 GLU H 1 115 ARG H 4.820 . 5.320 4.106 3.742 4.461 . 0 0 "[ . 1 . 2 . 3 .]" 1
256 1 14 GLU HA 1 15 GLY H 2.850 . 3.350 2.106 2.067 2.165 . 0 0 "[ . 1 . 2 . 3 .]" 1
257 1 14 GLU HA 1 15 GLY QA 5.800 . 6.300 3.944 3.910 3.969 . 0 0 "[ . 1 . 2 . 3 .]" 1
258 1 14 GLU HA 1 16 ASP H 3.730 . 4.230 3.534 3.385 3.671 . 0 0 "[ . 1 . 2 . 3 .]" 1
259 1 14 GLU HA 1 81 ALA MB 5.680 . 6.180 4.127 3.779 4.456 . 0 0 "[ . 1 . 2 . 3 .]" 1
260 1 14 GLU HA 1 83 ARG QG 5.500 . 6.000 4.440 3.917 4.915 . 0 0 "[ . 1 . 2 . 3 .]" 1
261 1 14 GLU HA 1 112 VAL MG1 3.930 . 4.430 2.158 2.038 2.350 . 0 0 "[ . 1 . 2 . 3 .]" 1
262 1 14 GLU HA 1 112 VAL MG2 5.500 . 6.000 4.158 3.908 4.408 . 0 0 "[ . 1 . 2 . 3 .]" 1
263 1 14 GLU QB 1 15 GLY H 4.560 . 5.060 3.670 3.235 3.906 . 0 0 "[ . 1 . 2 . 3 .]" 1
264 1 14 GLU QB 1 82 ARG HA 5.650 . 6.150 4.172 3.528 4.913 . 0 0 "[ . 1 . 2 . 3 .]" 1
265 1 14 GLU QB 1 112 VAL MG1 4.810 . 5.310 2.886 2.291 3.580 . 0 0 "[ . 1 . 2 . 3 .]" 1
266 1 14 GLU QB 1 114 GLU HA 3.950 . 4.450 2.732 2.302 3.520 . 0 0 "[ . 1 . 2 . 3 .]" 1
267 1 14 GLU HB2 1 15 GLY H 4.770 . 5.270 4.411 4.260 4.554 . 0 0 "[ . 1 . 2 . 3 .]" 1
268 1 14 GLU HB3 1 15 GLY H 4.770 . 5.270 3.963 3.335 4.347 . 0 0 "[ . 1 . 2 . 3 .]" 1
269 1 14 GLU QG 1 15 GLY H 4.440 . 4.940 3.170 2.639 3.988 . 0 0 "[ . 1 . 2 . 3 .]" 1
270 1 14 GLU QG 1 81 ALA MB 7.410 . 7.910 4.986 4.401 5.517 . 0 0 "[ . 1 . 2 . 3 .]" 1
271 1 14 GLU QG 1 82 ARG HA 4.090 . 4.590 2.379 1.994 3.625 . 0 0 "[ . 1 . 2 . 3 .]" 1
272 1 14 GLU QG 1 83 ARG H 4.510 . 5.010 2.703 2.432 3.225 . 0 0 "[ . 1 . 2 . 3 .]" 1
273 1 14 GLU QG 1 83 ARG QD 5.630 . 6.130 3.857 2.251 4.503 . 0 0 "[ . 1 . 2 . 3 .]" 1
274 1 14 GLU QG 1 83 ARG HG2 4.850 . 5.350 3.451 2.254 4.343 . 0 0 "[ . 1 . 2 . 3 .]" 1
275 1 14 GLU QG 1 83 ARG QG 4.720 . 5.220 2.604 2.085 2.977 . 0 0 "[ . 1 . 2 . 3 .]" 1
276 1 14 GLU QG 1 83 ARG HG3 4.850 . 5.350 2.917 2.339 4.340 . 0 0 "[ . 1 . 2 . 3 .]" 1
277 1 14 GLU QG 1 112 VAL MG1 5.230 . 5.730 2.450 1.933 2.922 . 0 0 "[ . 1 . 2 . 3 .]" 1
278 1 14 GLU QG 1 112 VAL MG2 6.240 . 6.740 4.505 4.085 4.657 . 0 0 "[ . 1 . 2 . 3 .]" 1
279 1 14 GLU QG 1 114 GLU HA 4.610 . 5.110 3.668 2.427 4.191 . 0 0 "[ . 1 . 2 . 3 .]" 1
280 1 14 GLU QG 1 115 ARG QB 5.980 . 6.480 3.964 3.255 4.783 . 0 0 "[ . 1 . 2 . 3 .]" 1
281 1 14 GLU N 1 113 THR O 3.000 2.700 3.500 2.819 2.747 2.913 . 0 0 "[ . 1 . 2 . 3 .]" 1
282 1 15 GLY H 1 16 ASP H 3.280 . 3.780 2.601 2.473 2.743 . 0 0 "[ . 1 . 2 . 3 .]" 1
283 1 15 GLY H 1 80 ARG QG 6.080 . 6.580 4.645 3.818 5.457 . 0 0 "[ . 1 . 2 . 3 .]" 1
284 1 15 GLY H 1 81 ALA H 4.170 . 4.670 3.826 3.571 4.096 . 0 0 "[ . 1 . 2 . 3 .]" 1
285 1 15 GLY H 1 81 ALA MB 4.730 . 5.230 3.788 3.385 3.955 . 0 0 "[ . 1 . 2 . 3 .]" 1
286 1 15 GLY H 1 81 ALA O 2.000 . 2.500 1.844 1.803 1.923 . 0 0 "[ . 1 . 2 . 3 .]" 1
287 1 15 GLY H 1 82 ARG HA 4.440 . 4.940 3.560 3.183 3.878 . 0 0 "[ . 1 . 2 . 3 .]" 1
288 1 15 GLY H 1 112 VAL MG1 4.710 . 5.210 3.389 3.238 3.637 . 0 0 "[ . 1 . 2 . 3 .]" 1
289 1 15 GLY QA 1 80 ARG HA 4.130 . 4.630 2.911 2.744 2.992 . 0 0 "[ . 1 . 2 . 3 .]" 1
290 1 15 GLY QA 1 80 ARG QB 5.710 . 6.210 3.408 2.312 4.184 . 0 0 "[ . 1 . 2 . 3 .]" 1
291 1 15 GLY HA2 1 80 ARG HA 4.280 . 4.780 2.960 2.781 3.052 . 0 0 "[ . 1 . 2 . 3 .]" 1
292 1 15 GLY HA3 1 80 ARG HA 4.280 . 4.780 4.304 4.187 4.355 . 0 0 "[ . 1 . 2 . 3 .]" 1
293 1 15 GLY N 1 81 ALA O 3.000 2.700 3.500 2.851 2.809 2.917 . 0 0 "[ . 1 . 2 . 3 .]" 1
294 1 16 ASP H 1 16 ASP QB 3.260 . 3.760 2.315 2.259 2.364 . 0 0 "[ . 1 . 2 . 3 .]" 1
295 1 16 ASP H 1 81 ALA H 3.770 . 4.270 3.767 3.658 3.809 . 0 0 "[ . 1 . 2 . 3 .]" 1
296 1 16 ASP H 1 81 ALA MB 4.760 . 5.260 3.901 3.642 3.979 . 0 0 "[ . 1 . 2 . 3 .]" 1
297 1 16 ASP H 1 112 VAL MG2 6.490 . 6.990 5.361 5.128 5.433 . 0 0 "[ . 1 . 2 . 3 .]" 1
298 1 16 ASP HA 1 17 ASN H 2.900 . 3.400 2.348 2.256 2.409 . 0 0 "[ . 1 . 2 . 3 .]" 1
299 1 16 ASP QB 1 17 ASN H 4.380 . 4.880 3.363 2.641 3.533 . 0 0 "[ . 1 . 2 . 3 .]" 1
300 1 16 ASP O 1 81 ALA H 2.000 . 2.500 1.916 1.861 1.988 . 0 0 "[ . 1 . 2 . 3 .]" 1
301 1 16 ASP O 1 81 ALA N 3.000 2.700 3.500 2.911 2.854 2.977 . 0 0 "[ . 1 . 2 . 3 .]" 1
302 1 17 ASN H 1 17 ASN HD21 4.400 . 4.900 3.492 2.345 4.383 . 0 0 "[ . 1 . 2 . 3 .]" 1
303 1 17 ASN H 1 17 ASN HD22 4.400 . 4.900 4.071 3.259 4.438 . 0 0 "[ . 1 . 2 . 3 .]" 1
304 1 17 ASN H 1 18 ALA H 4.460 . 4.960 4.460 4.083 4.538 . 0 0 "[ . 1 . 2 . 3 .]" 1
305 1 17 ASN HA 1 18 ALA H 2.930 . 3.430 2.153 2.082 2.220 . 0 0 "[ . 1 . 2 . 3 .]" 1
306 1 17 ASN HA 1 78 VAL CB 7.100 . 7.600 5.212 4.707 5.481 . 0 0 "[ . 1 . 2 . 3 .]" 1
307 1 17 ASN HA 1 79 VAL HA 3.980 . 4.480 2.813 2.270 3.243 . 0 0 "[ . 1 . 2 . 3 .]" 1
308 1 17 ASN HA 1 80 ARG H 3.720 . 4.220 2.527 2.141 2.900 . 0 0 "[ . 1 . 2 . 3 .]" 1
309 1 17 ASN HA 1 81 ALA H 4.310 . 4.810 3.365 2.999 3.646 . 0 0 "[ . 1 . 2 . 3 .]" 1
310 1 17 ASN QB 1 18 ALA H 4.380 . 4.880 3.251 2.602 3.765 . 0 0 "[ . 1 . 2 . 3 .]" 1
311 1 17 ASN HB2 1 18 ALA H 4.470 . 4.970 3.955 2.650 4.500 . 0 0 "[ . 1 . 2 . 3 .]" 1
312 1 17 ASN HB3 1 18 ALA H 4.470 . 4.970 3.668 3.083 4.135 . 0 0 "[ . 1 . 2 . 3 .]" 1
313 1 17 ASN QD 1 79 VAL CB 6.440 . 6.940 4.976 3.282 5.760 . 0 0 "[ . 1 . 2 . 3 .]" 1
314 1 17 ASN QD 1 80 ARG HA 5.990 . 6.490 5.039 3.318 5.359 . 0 0 "[ . 1 . 2 . 3 .]" 1
315 1 18 ALA H 1 19 THR H 4.710 . 5.210 4.475 4.311 4.556 . 0 0 "[ . 1 . 2 . 3 .]" 1
316 1 18 ALA H 1 77 SER HA 4.880 . 5.380 4.758 4.443 4.895 . 0 0 "[ . 1 . 2 . 3 .]" 1
317 1 18 ALA H 1 78 VAL CB 6.430 . 6.930 3.864 3.521 4.068 . 0 0 "[ . 1 . 2 . 3 .]" 1
318 1 18 ALA H 1 78 VAL H 3.730 . 4.230 3.221 3.004 3.456 . 0 0 "[ . 1 . 2 . 3 .]" 1
319 1 18 ALA H 1 78 VAL HB 3.960 . 4.460 3.020 2.590 3.265 . 0 0 "[ . 1 . 2 . 3 .]" 1
320 1 18 ALA H 1 78 VAL MG1 5.920 . 6.420 4.102 3.900 4.289 . 0 0 "[ . 1 . 2 . 3 .]" 1
321 1 18 ALA H 1 78 VAL MG2 5.920 . 6.420 4.300 3.861 4.646 . 0 0 "[ . 1 . 2 . 3 .]" 1
322 1 18 ALA H 1 78 VAL O 2.000 . 2.500 1.999 1.920 2.081 . 0 0 "[ . 1 . 2 . 3 .]" 1
323 1 18 ALA H 1 79 VAL HA 5.030 . 5.530 3.966 3.584 4.332 . 0 0 "[ . 1 . 2 . 3 .]" 1
324 1 18 ALA H 1 80 ARG H 5.210 . 5.710 4.298 3.892 4.649 . 0 0 "[ . 1 . 2 . 3 .]" 1
325 1 18 ALA H 1 81 ALA H 5.170 . 5.670 4.029 3.615 4.761 . 0 0 "[ . 1 . 2 . 3 .]" 1
326 1 18 ALA H 1 81 ALA MB 5.330 . 5.830 3.275 2.944 4.006 . 0 0 "[ . 1 . 2 . 3 .]" 1
327 1 18 ALA HA 1 19 THR H 2.750 . 3.250 2.222 2.184 2.261 . 0 0 "[ . 1 . 2 . 3 .]" 1
328 1 18 ALA MB 1 19 THR H 4.350 . 4.850 3.281 3.112 3.462 . 0 0 "[ . 1 . 2 . 3 .]" 1
329 1 18 ALA MB 1 19 THR HA 5.510 . 6.010 4.207 4.088 4.322 . 0 0 "[ . 1 . 2 . 3 .]" 1
330 1 18 ALA MB 1 19 THR MG 7.930 . 8.430 5.427 5.321 5.512 . 0 0 "[ . 1 . 2 . 3 .]" 1
331 1 18 ALA MB 1 20 PHE QE 6.270 . 6.770 3.632 3.037 3.896 . 0 0 "[ . 1 . 2 . 3 .]" 1
332 1 18 ALA MB 1 77 SER HA 5.560 . 6.060 4.455 4.047 4.643 . 0 0 "[ . 1 . 2 . 3 .]" 1
333 1 18 ALA MB 1 78 VAL CB 6.930 . 7.430 3.149 2.963 3.278 . 0 0 "[ . 1 . 2 . 3 .]" 1
334 1 18 ALA MB 1 78 VAL H 4.660 . 5.160 3.107 2.789 3.271 . 0 0 "[ . 1 . 2 . 3 .]" 1
335 1 18 ALA MB 1 78 VAL HB 4.380 . 4.880 2.233 2.140 2.406 . 0 0 "[ . 1 . 2 . 3 .]" 1
336 1 18 ALA MB 1 81 ALA H 5.640 . 6.140 4.310 4.006 4.696 . 0 0 "[ . 1 . 2 . 3 .]" 1
337 1 18 ALA MB 1 81 ALA MB 5.380 . 5.880 2.623 2.348 2.995 . 0 0 "[ . 1 . 2 . 3 .]" 1
338 1 18 ALA MB 1 110 LEU QB 7.200 . 7.700 4.307 4.084 4.538 . 0 0 "[ . 1 . 2 . 3 .]" 1
339 1 18 ALA MB 1 110 LEU MD1 4.720 . 5.220 2.110 2.011 2.324 . 0 0 "[ . 1 . 2 . 3 .]" 1
340 1 18 ALA MB 1 110 LEU MD2 5.410 . 5.910 2.883 2.584 3.077 . 0 0 "[ . 1 . 2 . 3 .]" 1
341 1 18 ALA MB 1 112 VAL MG2 6.390 . 6.890 3.686 3.440 3.952 . 0 0 "[ . 1 . 2 . 3 .]" 1
342 1 18 ALA N 1 78 VAL O 3.000 2.700 3.500 2.968 2.898 3.015 . 0 0 "[ . 1 . 2 . 3 .]" 1
343 1 18 ALA O 1 78 VAL H 2.000 . 2.500 1.765 1.739 1.798 0.061 14 0 "[ . 1 . 2 . 3 .]" 1
344 1 18 ALA O 1 78 VAL N 3.000 2.700 3.500 2.773 2.747 2.795 . 0 0 "[ . 1 . 2 . 3 .]" 1
345 1 19 THR H 1 19 THR HB 3.230 . 3.730 2.766 2.662 2.886 . 0 0 "[ . 1 . 2 . 3 .]" 1
346 1 19 THR H 1 20 PHE H 4.580 . 5.080 4.315 4.255 4.437 . 0 0 "[ . 1 . 2 . 3 .]" 1
347 1 19 THR HA 1 20 PHE H 3.050 . 3.550 2.064 2.021 2.097 . 0 0 "[ . 1 . 2 . 3 .]" 1
348 1 19 THR HA 1 77 SER HA 3.420 . 3.920 2.272 2.139 2.491 . 0 0 "[ . 1 . 2 . 3 .]" 1
349 1 19 THR HA 1 78 VAL H 4.090 . 4.590 3.543 3.371 3.759 . 0 0 "[ . 1 . 2 . 3 .]" 1
350 1 19 THR HB 1 20 PHE H 4.510 . 5.010 4.171 4.047 4.245 . 0 0 "[ . 1 . 2 . 3 .]" 1
351 1 19 THR MG 1 20 PHE H 4.530 . 5.030 2.712 2.556 2.803 . 0 0 "[ . 1 . 2 . 3 .]" 1
352 1 19 THR MG 1 66 THR H 6.490 . 6.990 5.433 5.413 5.459 . 0 0 "[ . 1 . 2 . 3 .]" 1
353 1 19 THR MG 1 75 HIS H 6.260 . 6.760 5.013 4.847 5.197 . 0 0 "[ . 1 . 2 . 3 .]" 1
354 1 19 THR MG 1 75 HIS HA 4.820 . 5.320 3.200 2.950 3.569 . 0 0 "[ . 1 . 2 . 3 .]" 1
355 1 19 THR MG 1 75 HIS HB2 4.910 . 5.410 3.594 3.488 3.709 . 0 0 "[ . 1 . 2 . 3 .]" 1
356 1 19 THR MG 1 75 HIS QB 4.720 . 5.220 2.239 2.123 3.449 . 0 0 "[ . 1 . 2 . 3 .]" 1
357 1 19 THR MG 1 75 HIS HB3 4.910 . 5.410 2.279 2.141 4.139 . 0 0 "[ . 1 . 2 . 3 .]" 1
358 1 19 THR MG 1 76 MET H 4.880 . 5.380 2.856 2.542 3.643 . 0 0 "[ . 1 . 2 . 3 .]" 1
359 1 19 THR MG 1 77 SER HA 5.150 . 5.650 3.136 2.873 3.624 . 0 0 "[ . 1 . 2 . 3 .]" 1
360 1 19 THR MG 1 77 SER HB2 6.110 . 6.610 3.524 2.272 4.455 . 0 0 "[ . 1 . 2 . 3 .]" 1
361 1 19 THR MG 1 77 SER QB 5.680 . 6.180 2.949 2.203 3.788 . 0 0 "[ . 1 . 2 . 3 .]" 1
362 1 19 THR MG 1 77 SER HB3 6.110 . 6.610 3.661 2.222 4.400 . 0 0 "[ . 1 . 2 . 3 .]" 1
363 1 20 PHE H 1 20 PHE HB2 4.080 . 4.580 2.465 2.410 2.677 . 0 0 "[ . 1 . 2 . 3 .]" 1
364 1 20 PHE H 1 20 PHE HB3 4.080 . 4.580 3.662 3.631 3.760 . 0 0 "[ . 1 . 2 . 3 .]" 1
365 1 20 PHE H 1 20 PHE QD 4.270 . 4.770 2.707 2.316 2.904 . 0 0 "[ . 1 . 2 . 3 .]" 1
366 1 20 PHE H 1 21 THR H 4.640 . 5.140 4.521 4.466 4.568 . 0 0 "[ . 1 . 2 . 3 .]" 1
367 1 20 PHE H 1 75 HIS HA 4.710 . 5.210 4.695 4.442 4.747 . 0 0 "[ . 1 . 2 . 3 .]" 1
368 1 20 PHE H 1 76 MET O 2.000 . 2.500 1.906 1.814 2.011 . 0 0 "[ . 1 . 2 . 3 .]" 1
369 1 20 PHE H 1 77 SER HA 4.220 . 4.720 3.583 3.373 3.868 . 0 0 "[ . 1 . 2 . 3 .]" 1
370 1 20 PHE HA 1 21 THR H 3.200 . 3.700 2.304 2.220 2.375 . 0 0 "[ . 1 . 2 . 3 .]" 1
371 1 20 PHE QB 1 21 THR H 3.950 . 4.450 2.590 2.491 2.810 . 0 0 "[ . 1 . 2 . 3 .]" 1
372 1 20 PHE HB2 1 21 THR H 4.110 . 4.610 3.790 3.465 3.976 . 0 0 "[ . 1 . 2 . 3 .]" 1
373 1 20 PHE HB3 1 21 THR H 4.110 . 4.610 2.637 2.541 2.873 . 0 0 "[ . 1 . 2 . 3 .]" 1
374 1 20 PHE QD 1 21 THR H 4.640 . 5.140 3.775 3.570 4.200 . 0 0 "[ . 1 . 2 . 3 .]" 1
375 1 20 PHE QD 1 108 ALA MB 5.920 . 6.420 3.043 2.690 3.530 . 0 0 "[ . 1 . 2 . 3 .]" 1
376 1 20 PHE QE 1 108 ALA MB 5.070 . 5.570 2.577 2.289 3.772 . 0 0 "[ . 1 . 2 . 3 .]" 1
377 1 20 PHE QE 1 110 LEU H 5.660 . 6.160 4.687 4.467 4.919 . 0 0 "[ . 1 . 2 . 3 .]" 1
378 1 20 PHE QE 1 110 LEU HA 4.420 . 4.920 3.781 3.314 3.913 . 0 0 "[ . 1 . 2 . 3 .]" 1
379 1 20 PHE QE 1 110 LEU HB2 4.770 . 5.270 2.577 2.398 2.700 . 0 0 "[ . 1 . 2 . 3 .]" 1
380 1 20 PHE QE 1 110 LEU QB 4.560 . 5.060 2.553 2.380 2.672 . 0 0 "[ . 1 . 2 . 3 .]" 1
381 1 20 PHE QE 1 110 LEU HB3 4.770 . 5.270 4.163 3.986 4.266 . 0 0 "[ . 1 . 2 . 3 .]" 1
382 1 20 PHE QE 1 110 LEU MD1 5.350 . 5.850 2.650 2.404 2.988 . 0 0 "[ . 1 . 2 . 3 .]" 1
383 1 20 PHE QE 1 110 LEU MD2 5.530 . 6.030 2.796 2.511 3.286 . 0 0 "[ . 1 . 2 . 3 .]" 1
384 1 20 PHE QE 1 110 LEU HG 5.530 . 6.030 4.841 4.662 5.000 . 0 0 "[ . 1 . 2 . 3 .]" 1
385 1 20 PHE QE 1 111 ARG H 6.120 . 6.620 5.402 5.220 5.475 . 0 0 "[ . 1 . 2 . 3 .]" 1
386 1 20 PHE N 1 76 MET O 3.000 2.700 3.500 2.910 2.822 3.006 . 0 0 "[ . 1 . 2 . 3 .]" 1
387 1 20 PHE O 1 76 MET H 2.000 . 2.500 1.880 1.813 2.015 . 0 0 "[ . 1 . 2 . 3 .]" 1
388 1 20 PHE O 1 76 MET N 3.000 2.700 3.500 2.881 2.821 2.989 . 0 0 "[ . 1 . 2 . 3 .]" 1
389 1 21 THR H 1 21 THR HB 3.620 . 4.120 2.604 2.528 2.686 . 0 0 "[ . 1 . 2 . 3 .]" 1
390 1 21 THR HA 1 22 CYS H 3.000 . 3.500 2.170 2.127 2.228 . 0 0 "[ . 1 . 2 . 3 .]" 1
391 1 21 THR MG 1 22 CYS H 4.290 . 4.790 2.687 2.486 3.039 . 0 0 "[ . 1 . 2 . 3 .]" 1
392 1 21 THR MG 1 68 LEU CG 7.720 . 8.220 4.910 4.126 5.444 . 0 0 "[ . 1 . 2 . 3 .]" 1
393 1 22 CYS CB 1 91 CYS SG 3.100 3.000 3.600 3.091 3.049 3.125 . 0 0 "[ . 1 . 2 . 3 .]" 1
394 1 22 CYS H 1 22 CYS HB2 4.120 . 4.620 3.021 2.638 3.369 . 0 0 "[ . 1 . 2 . 3 .]" 1
395 1 22 CYS H 1 22 CYS HB3 4.120 . 4.620 2.934 2.451 3.840 . 0 0 "[ . 1 . 2 . 3 .]" 1
396 1 22 CYS H 1 74 PHE H 4.410 . 4.910 3.169 2.938 3.409 . 0 0 "[ . 1 . 2 . 3 .]" 1
397 1 22 CYS H 1 74 PHE QB 5.990 . 6.490 3.444 3.114 3.698 . 0 0 "[ . 1 . 2 . 3 .]" 1
398 1 22 CYS H 1 74 PHE O 2.000 . 2.500 1.867 1.820 2.013 . 0 0 "[ . 1 . 2 . 3 .]" 1
399 1 22 CYS HA 1 23 SER H 3.170 . 3.670 2.228 2.131 2.317 . 0 0 "[ . 1 . 2 . 3 .]" 1
400 1 22 CYS QB 1 33 LEU CG 7.550 . 8.050 4.881 3.966 5.719 . 0 0 "[ . 1 . 2 . 3 .]" 1
401 1 22 CYS HB2 1 76 MET ME 5.180 . 5.680 2.932 2.108 3.514 . 0 0 "[ . 1 . 2 . 3 .]" 1
402 1 22 CYS HB3 1 76 MET ME 5.180 . 5.680 2.761 2.009 4.217 . 0 0 "[ . 1 . 2 . 3 .]" 1
403 1 22 CYS N 1 74 PHE O 3.000 2.700 3.500 2.871 2.831 2.946 . 0 0 "[ . 1 . 2 . 3 .]" 1
404 1 22 CYS O 1 74 PHE H 2.000 . 2.500 2.020 1.951 2.073 . 0 0 "[ . 1 . 2 . 3 .]" 1
405 1 22 CYS O 1 74 PHE N 3.000 2.700 3.500 2.952 2.882 3.019 . 0 0 "[ . 1 . 2 . 3 .]" 1
406 1 22 CYS SG 1 91 CYS CB 3.100 3.000 3.600 3.027 2.986 3.153 0.014 24 0 "[ . 1 . 2 . 3 .]" 1
407 1 22 CYS SG 1 91 CYS SG 2.100 . 2.600 2.040 2.032 2.056 . 0 0 "[ . 1 . 2 . 3 .]" 1
408 1 23 SER H 1 23 SER HB2 4.080 . 4.580 3.156 2.422 4.069 . 0 0 "[ . 1 . 2 . 3 .]" 1
409 1 23 SER H 1 23 SER HB3 4.080 . 4.580 3.358 2.528 3.925 . 0 0 "[ . 1 . 2 . 3 .]" 1
410 1 23 SER H 1 24 PHE HA 5.160 . 5.660 5.035 4.772 5.245 . 0 0 "[ . 1 . 2 . 3 .]" 1
411 1 23 SER HA 1 24 PHE H 3.330 . 3.830 2.203 2.108 2.394 . 0 0 "[ . 1 . 2 . 3 .]" 1
412 1 23 SER HA 1 73 ASP HA 3.810 . 4.310 2.678 2.214 3.484 . 0 0 "[ . 1 . 2 . 3 .]" 1
413 1 23 SER HA 1 74 PHE H 4.760 . 5.260 3.649 3.119 3.909 . 0 0 "[ . 1 . 2 . 3 .]" 1
414 1 23 SER QB 1 24 PHE H 4.600 . 5.100 3.255 2.481 3.866 . 0 0 "[ . 1 . 2 . 3 .]" 1
415 1 23 SER HB2 1 24 PHE H 4.730 . 5.230 3.873 2.514 4.496 . 0 0 "[ . 1 . 2 . 3 .]" 1
416 1 23 SER HB3 1 24 PHE H 4.730 . 5.230 3.716 2.987 4.259 . 0 0 "[ . 1 . 2 . 3 .]" 1
417 1 24 PHE H 1 24 PHE QE 6.120 . 6.620 5.318 4.282 5.559 . 0 0 "[ . 1 . 2 . 3 .]" 1
418 1 24 PHE H 1 73 ASP HA 5.400 . 5.900 3.845 3.023 4.817 . 0 0 "[ . 1 . 2 . 3 .]" 1
419 1 24 PHE HA 1 25 SER H 3.300 . 3.800 2.265 2.109 2.404 . 0 0 "[ . 1 . 2 . 3 .]" 1
420 1 24 PHE QB 1 33 LEU CG 8.080 . 8.580 5.246 3.897 7.239 . 0 0 "[ . 1 . 2 . 3 .]" 1
421 1 24 PHE QD 1 25 SER H 5.460 . 5.960 3.440 2.931 4.069 . 0 0 "[ . 1 . 2 . 3 .]" 1
422 1 24 PHE QD 1 26 ASN QD 4.110 . 4.610 3.165 2.244 3.327 . 0 0 "[ . 1 . 2 . 3 .]" 1
423 1 24 PHE QD 1 33 LEU CG 7.420 . 7.920 4.527 3.362 5.716 . 0 0 "[ . 1 . 2 . 3 .]" 1
424 1 24 PHE QD 1 76 MET ME 7.410 . 7.910 4.894 3.516 5.517 . 0 0 "[ . 1 . 2 . 3 .]" 1
425 1 24 PHE QE 1 33 LEU CG 6.720 . 7.220 4.516 3.349 5.706 . 0 0 "[ . 1 . 2 . 3 .]" 1
426 1 24 PHE QE 1 33 LEU MD1 6.190 . 6.690 2.933 2.111 4.593 . 0 0 "[ . 1 . 2 . 3 .]" 1
427 1 24 PHE QE 1 33 LEU MD2 6.190 . 6.690 3.537 2.222 4.614 . 0 0 "[ . 1 . 2 . 3 .]" 1
428 1 24 PHE QE 1 93 ALA MB 5.970 . 6.470 2.863 2.045 3.976 . 0 0 "[ . 1 . 2 . 3 .]" 1
429 1 25 SER QB 1 26 ASN H 5.170 . 5.670 3.361 2.605 4.005 . 0 0 "[ . 1 . 2 . 3 .]" 1
430 1 26 ASN QB 1 31 PHE QD 5.580 . 6.080 2.879 2.363 4.077 . 0 0 "[ . 1 . 2 . 3 .]" 1
431 1 26 ASN QB 1 31 PHE QE 5.180 . 5.680 3.177 2.417 4.144 . 0 0 "[ . 1 . 2 . 3 .]" 1
432 1 28 SER H 1 29 GLU H 4.400 . 4.900 3.932 2.617 4.552 . 0 0 "[ . 1 . 2 . 3 .]" 1
433 1 28 SER QB 1 29 GLU H 5.250 . 5.750 3.042 2.080 3.992 . 0 0 "[ . 1 . 2 . 3 .]" 1
434 1 29 GLU H 1 29 GLU QG 4.640 . 5.140 3.084 2.087 4.144 . 0 0 "[ . 1 . 2 . 3 .]" 1
435 1 29 GLU H 1 30 SER H 4.190 . 4.690 2.957 2.372 4.268 . 0 0 "[ . 1 . 2 . 3 .]" 1
436 1 29 GLU HB2 1 30 SER H 4.350 . 4.850 3.607 2.257 4.390 . 0 0 "[ . 1 . 2 . 3 .]" 1
437 1 29 GLU HB3 1 30 SER H 4.350 . 4.850 3.611 2.153 4.373 . 0 0 "[ . 1 . 2 . 3 .]" 1
438 1 29 GLU QG 1 30 SER H 5.260 . 5.760 3.856 2.690 4.584 . 0 0 "[ . 1 . 2 . 3 .]" 1
439 1 30 SER H 1 31 PHE H 4.570 . 5.070 4.364 3.664 4.635 . 0 0 "[ . 1 . 2 . 3 .]" 1
440 1 30 SER HA 1 31 PHE H 2.910 . 3.410 2.361 2.067 2.623 . 0 0 "[ . 1 . 2 . 3 .]" 1
441 1 30 SER QB 1 31 PHE H 4.130 . 4.630 2.956 2.234 3.740 . 0 0 "[ . 1 . 2 . 3 .]" 1
442 1 30 SER QB 1 96 LEU CG 6.490 . 6.990 3.435 3.045 4.205 . 0 0 "[ . 1 . 2 . 3 .]" 1
443 1 30 SER QB 1 96 LEU HG 5.990 . 6.490 3.177 2.375 4.619 . 0 0 "[ . 1 . 2 . 3 .]" 1
444 1 30 SER HB2 1 31 PHE H 4.390 . 4.890 3.754 2.653 4.332 . 0 0 "[ . 1 . 2 . 3 .]" 1
445 1 30 SER HB3 1 31 PHE H 4.390 . 4.890 3.235 2.259 4.089 . 0 0 "[ . 1 . 2 . 3 .]" 1
446 1 31 PHE H 1 31 PHE QD 4.280 . 4.780 3.195 2.547 3.471 . 0 0 "[ . 1 . 2 . 3 .]" 1
447 1 31 PHE HA 1 32 VAL CB 6.490 . 6.990 4.771 4.647 4.885 . 0 0 "[ . 1 . 2 . 3 .]" 1
448 1 31 PHE HA 1 32 VAL H 3.270 . 3.770 2.314 2.218 2.428 . 0 0 "[ . 1 . 2 . 3 .]" 1
449 1 31 PHE HA 1 95 SER HA 3.660 . 4.160 2.304 2.101 2.626 . 0 0 "[ . 1 . 2 . 3 .]" 1
450 1 31 PHE HA 1 96 LEU H 3.960 . 4.460 2.913 2.509 3.123 . 0 0 "[ . 1 . 2 . 3 .]" 1
451 1 31 PHE QB 1 32 VAL H 3.850 . 4.350 2.481 2.361 2.645 . 0 0 "[ . 1 . 2 . 3 .]" 1
452 1 31 PHE QB 1 94 ILE H 5.050 . 5.550 3.052 2.735 3.699 . 0 0 "[ . 1 . 2 . 3 .]" 1
453 1 31 PHE QB 1 95 SER HA 4.760 . 5.260 2.372 2.151 2.822 . 0 0 "[ . 1 . 2 . 3 .]" 1
454 1 31 PHE HB2 1 32 VAL H 3.960 . 4.460 2.517 2.386 2.691 . 0 0 "[ . 1 . 2 . 3 .]" 1
455 1 31 PHE HB3 1 32 VAL H 3.960 . 4.460 3.759 3.510 3.891 . 0 0 "[ . 1 . 2 . 3 .]" 1
456 1 31 PHE QD 1 32 VAL H 4.940 . 5.440 3.520 3.143 3.838 . 0 0 "[ . 1 . 2 . 3 .]" 1
457 1 31 PHE QD 1 33 LEU CG 7.780 . 8.280 4.785 4.219 5.834 . 0 0 "[ . 1 . 2 . 3 .]" 1
458 1 31 PHE QD 1 33 LEU H 5.050 . 5.550 3.850 3.138 4.323 . 0 0 "[ . 1 . 2 . 3 .]" 1
459 1 31 PHE QD 1 33 LEU HB2 5.120 . 5.620 3.113 2.559 3.899 . 0 0 "[ . 1 . 2 . 3 .]" 1
460 1 31 PHE QD 1 93 ALA MB 6.250 . 6.750 2.819 2.360 3.911 . 0 0 "[ . 1 . 2 . 3 .]" 1
461 1 31 PHE QE 1 33 LEU CG 8.310 . 8.810 4.082 3.292 6.316 . 0 0 "[ . 1 . 2 . 3 .]" 1
462 1 31 PHE QE 1 33 LEU HB2 5.110 . 5.610 2.746 2.329 4.563 . 0 0 "[ . 1 . 2 . 3 .]" 1
463 1 31 PHE QE 1 93 ALA MB 7.410 . 7.910 3.635 2.810 4.835 . 0 0 "[ . 1 . 2 . 3 .]" 1
464 1 32 VAL CB 1 33 LEU H 6.050 . 6.550 3.501 3.388 3.617 . 0 0 "[ . 1 . 2 . 3 .]" 1
465 1 32 VAL CB 1 33 LEU HA 6.790 . 7.290 4.898 4.769 5.021 . 0 0 "[ . 1 . 2 . 3 .]" 1
466 1 32 VAL CB 1 34 ASN H 6.810 . 7.310 6.046 5.502 6.351 . 0 0 "[ . 1 . 2 . 3 .]" 1
467 1 32 VAL CB 1 34 ASN QD 6.530 . 7.030 3.724 3.215 4.241 . 0 0 "[ . 1 . 2 . 3 .]" 1
468 1 32 VAL CB 1 46 LYS QE 7.350 . 7.850 6.563 6.374 6.629 . 0 0 "[ . 1 . 2 . 3 .]" 1
469 1 32 VAL CB 1 49 ALA HA 6.980 . 7.480 6.774 6.315 7.016 . 0 0 "[ . 1 . 2 . 3 .]" 1
470 1 32 VAL CB 1 49 ALA MB 6.240 . 6.740 4.632 4.198 5.211 . 0 0 "[ . 1 . 2 . 3 .]" 1
471 1 32 VAL CB 1 50 PHE H 6.410 . 6.910 5.345 4.952 5.845 . 0 0 "[ . 1 . 2 . 3 .]" 1
472 1 32 VAL CB 1 51 PRO QD 6.310 . 6.810 3.607 3.341 4.457 . 0 0 "[ . 1 . 2 . 3 .]" 1
473 1 32 VAL H 1 32 VAL HB 3.760 . 4.260 2.632 2.445 2.878 . 0 0 "[ . 1 . 2 . 3 .]" 1
474 1 32 VAL H 1 94 ILE H 3.860 . 4.360 2.986 2.869 3.150 . 0 0 "[ . 1 . 2 . 3 .]" 1
475 1 32 VAL H 1 94 ILE MG 5.010 . 5.510 3.030 2.904 3.183 . 0 0 "[ . 1 . 2 . 3 .]" 1
476 1 32 VAL HA 1 33 LEU H 3.130 . 3.630 2.178 2.093 2.264 . 0 0 "[ . 1 . 2 . 3 .]" 1
477 1 32 VAL HA 1 51 PRO QD 4.460 . 4.960 2.397 2.104 3.398 . 0 0 "[ . 1 . 2 . 3 .]" 1
478 1 32 VAL HB 1 33 LEU H 4.420 . 4.920 4.162 3.991 4.295 . 0 0 "[ . 1 . 2 . 3 .]" 1
479 1 32 VAL HB 1 94 ILE H 4.760 . 5.260 3.695 3.128 3.980 . 0 0 "[ . 1 . 2 . 3 .]" 1
480 1 32 VAL HB 1 94 ILE HB 4.920 . 5.420 4.880 4.665 4.937 . 0 0 "[ . 1 . 2 . 3 .]" 1
481 1 32 VAL HB 1 94 ILE MD 5.870 . 6.370 4.905 4.812 4.943 . 0 0 "[ . 1 . 2 . 3 .]" 1
482 1 32 VAL HB 1 94 ILE MG 4.240 . 4.740 2.200 2.105 2.244 . 0 0 "[ . 1 . 2 . 3 .]" 1
483 1 33 LEU CG 1 34 ASN H 6.270 . 6.770 3.432 3.065 3.980 . 0 0 "[ . 1 . 2 . 3 .]" 1
484 1 33 LEU CG 1 50 PHE QB 7.820 . 8.320 4.680 3.638 5.821 . 0 0 "[ . 1 . 2 . 3 .]" 1
485 1 33 LEU CG 1 65 VAL CB 8.390 . 8.890 6.516 5.409 7.572 . 0 0 "[ . 1 . 2 . 3 .]" 1
486 1 33 LEU CG 1 74 PHE QB 6.640 . 7.140 4.317 4.033 4.803 . 0 0 "[ . 1 . 2 . 3 .]" 1
487 1 33 LEU CG 1 74 PHE QD 7.270 . 7.770 4.327 3.767 4.661 . 0 0 "[ . 1 . 2 . 3 .]" 1
488 1 33 LEU CG 1 76 MET ME 6.320 . 6.820 3.217 2.773 4.176 . 0 0 "[ . 1 . 2 . 3 .]" 1
489 1 33 LEU CG 1 93 ALA HA 6.700 . 7.200 4.591 3.851 5.361 . 0 0 "[ . 1 . 2 . 3 .]" 1
490 1 33 LEU CG 1 93 ALA MB 8.490 . 8.990 3.959 3.196 4.430 . 0 0 "[ . 1 . 2 . 3 .]" 1
491 1 33 LEU H 1 33 LEU HB2 4.080 . 4.580 2.767 2.415 3.084 . 0 0 "[ . 1 . 2 . 3 .]" 1
492 1 33 LEU H 1 33 LEU HB3 4.110 . 4.610 2.609 2.250 3.167 . 0 0 "[ . 1 . 2 . 3 .]" 1
493 1 33 LEU H 1 51 PRO QD 5.140 . 5.640 3.444 3.134 4.171 . 0 0 "[ . 1 . 2 . 3 .]" 1
494 1 33 LEU HA 1 34 ASN H 3.150 . 3.650 2.190 2.104 2.286 . 0 0 "[ . 1 . 2 . 3 .]" 1
495 1 33 LEU HA 1 93 ALA HA 3.920 . 4.420 2.378 2.073 2.950 . 0 0 "[ . 1 . 2 . 3 .]" 1
496 1 33 LEU HA 1 93 ALA MB 5.250 . 5.750 3.132 2.486 3.644 . 0 0 "[ . 1 . 2 . 3 .]" 1
497 1 33 LEU HA 1 94 ILE H 4.850 . 5.350 3.774 3.531 4.192 . 0 0 "[ . 1 . 2 . 3 .]" 1
498 1 33 LEU HB3 1 34 ASN H 4.580 . 5.080 4.061 3.476 4.431 . 0 0 "[ . 1 . 2 . 3 .]" 1
499 1 33 LEU HB3 1 50 PHE QB 5.040 . 5.540 2.960 2.245 3.988 . 0 0 "[ . 1 . 2 . 3 .]" 1
500 1 33 LEU HB3 1 65 VAL CB 6.630 . 7.130 5.697 4.735 6.546 . 0 0 "[ . 1 . 2 . 3 .]" 1
501 1 33 LEU HB3 1 65 VAL MG1 6.610 . 7.110 3.481 2.470 5.003 . 0 0 "[ . 1 . 2 . 3 .]" 1
502 1 33 LEU HB3 1 65 VAL MG2 6.610 . 7.110 4.851 3.701 5.511 . 0 0 "[ . 1 . 2 . 3 .]" 1
503 1 33 LEU HB3 1 74 PHE QD 6.170 . 6.670 4.300 3.547 5.144 . 0 0 "[ . 1 . 2 . 3 .]" 1
504 1 33 LEU MD1 1 76 MET ME 5.900 . 6.400 2.766 1.849 4.018 . 0 0 "[ . 1 . 2 . 3 .]" 1
505 1 33 LEU MD2 1 76 MET ME 5.900 . 6.400 2.408 1.863 4.099 . 0 0 "[ . 1 . 2 . 3 .]" 1
506 1 33 LEU HG 1 76 MET ME 4.780 . 5.280 2.945 2.157 4.027 . 0 0 "[ . 1 . 2 . 3 .]" 1
507 1 34 ASN H 1 34 ASN HD21 5.500 . 6.000 3.170 2.382 4.717 . 0 0 "[ . 1 . 2 . 3 .]" 1
508 1 34 ASN H 1 34 ASN QD 5.290 . 5.790 3.041 2.359 4.316 . 0 0 "[ . 1 . 2 . 3 .]" 1
509 1 34 ASN H 1 34 ASN HD22 5.500 . 6.000 4.222 3.715 5.002 . 0 0 "[ . 1 . 2 . 3 .]" 1
510 1 34 ASN H 1 35 TRP H 4.980 . 5.480 4.484 4.399 4.557 . 0 0 "[ . 1 . 2 . 3 .]" 1
511 1 34 ASN H 1 92 GLY O 2.000 . 2.500 1.913 1.824 2.020 . 0 0 "[ . 1 . 2 . 3 .]" 1
512 1 34 ASN HA 1 35 TRP H 3.070 . 3.570 2.277 2.216 2.360 . 0 0 "[ . 1 . 2 . 3 .]" 1
513 1 34 ASN HA 1 48 ALA H 4.880 . 5.380 4.793 4.634 4.903 . 0 0 "[ . 1 . 2 . 3 .]" 1
514 1 34 ASN HA 1 49 ALA MB 5.010 . 5.510 2.655 2.286 3.492 . 0 0 "[ . 1 . 2 . 3 .]" 1
515 1 34 ASN QB 1 35 TRP H 3.880 . 4.380 2.710 2.472 3.066 . 0 0 "[ . 1 . 2 . 3 .]" 1
516 1 34 ASN QB 1 36 TYR QE 5.870 . 6.370 2.382 2.184 3.405 . 0 0 "[ . 1 . 2 . 3 .]" 1
517 1 34 ASN QB 1 46 LYS QE 5.190 . 5.690 2.533 2.030 4.123 . 0 0 "[ . 1 . 2 . 3 .]" 1
518 1 34 ASN QB 1 46 LYS QG 5.180 . 5.680 2.888 2.339 3.532 . 0 0 "[ . 1 . 2 . 3 .]" 1
519 1 34 ASN QD 1 49 ALA MB 5.820 . 6.320 3.306 1.853 4.334 . 0 0 "[ . 1 . 2 . 3 .]" 1
520 1 34 ASN N 1 92 GLY O 3.000 2.700 3.500 2.859 2.794 2.974 . 0 0 "[ . 1 . 2 . 3 .]" 1
521 1 34 ASN O 1 92 GLY H 2.000 . 2.500 1.962 1.865 2.019 . 0 0 "[ . 1 . 2 . 3 .]" 1
522 1 34 ASN O 1 92 GLY N 3.000 2.700 3.500 2.930 2.853 3.013 . 0 0 "[ . 1 . 2 . 3 .]" 1
523 1 35 TRP H 1 35 TRP HB2 3.790 . 4.290 2.936 2.769 3.117 . 0 0 "[ . 1 . 2 . 3 .]" 1
524 1 35 TRP H 1 35 TRP HB3 3.790 . 4.290 2.587 2.476 2.690 . 0 0 "[ . 1 . 2 . 3 .]" 1
525 1 35 TRP H 1 46 LYS QG 4.840 . 5.340 3.520 3.044 4.127 . 0 0 "[ . 1 . 2 . 3 .]" 1
526 1 35 TRP H 1 47 LEU H 5.380 . 5.880 3.933 3.604 4.246 . 0 0 "[ . 1 . 2 . 3 .]" 1
527 1 35 TRP H 1 48 ALA H 3.750 . 4.250 3.057 2.864 3.172 . 0 0 "[ . 1 . 2 . 3 .]" 1
528 1 35 TRP H 1 48 ALA MB 5.450 . 5.950 4.269 3.684 4.524 . 0 0 "[ . 1 . 2 . 3 .]" 1
529 1 35 TRP H 1 48 ALA O 2.000 . 2.500 1.993 1.829 2.044 . 0 0 "[ . 1 . 2 . 3 .]" 1
530 1 35 TRP H 1 49 ALA MB 5.340 . 5.840 3.713 3.295 4.246 . 0 0 "[ . 1 . 2 . 3 .]" 1
531 1 35 TRP H 1 65 VAL CB 7.500 . 8.000 6.151 5.124 7.057 . 0 0 "[ . 1 . 2 . 3 .]" 1
532 1 35 TRP HA 1 36 TYR H 3.410 . 3.910 2.205 2.162 2.247 . 0 0 "[ . 1 . 2 . 3 .]" 1
533 1 35 TRP HA 1 76 MET ME 5.520 . 6.020 3.659 2.991 4.652 . 0 0 "[ . 1 . 2 . 3 .]" 1
534 1 35 TRP HA 1 91 CYS HA 4.380 . 4.880 2.452 2.160 2.949 . 0 0 "[ . 1 . 2 . 3 .]" 1
535 1 35 TRP QB 1 47 LEU CG 7.550 . 8.050 4.525 4.195 5.122 . 0 0 "[ . 1 . 2 . 3 .]" 1
536 1 35 TRP QB 1 47 LEU HB2 5.260 . 5.760 2.713 2.430 3.319 . 0 0 "[ . 1 . 2 . 3 .]" 1
537 1 35 TRP QB 1 48 ALA H 4.070 . 4.570 2.720 2.605 2.901 . 0 0 "[ . 1 . 2 . 3 .]" 1
538 1 35 TRP QB 1 48 ALA MB 5.320 . 5.820 2.990 2.329 3.265 . 0 0 "[ . 1 . 2 . 3 .]" 1
539 1 35 TRP QB 1 65 VAL CB 7.030 . 7.530 4.587 4.035 5.358 . 0 0 "[ . 1 . 2 . 3 .]" 1
540 1 35 TRP QB 1 76 MET ME 6.240 . 6.740 2.727 2.201 4.109 . 0 0 "[ . 1 . 2 . 3 .]" 1
541 1 35 TRP HB2 1 48 ALA H 4.300 . 4.800 4.319 4.192 4.361 . 0 0 "[ . 1 . 2 . 3 .]" 1
542 1 35 TRP HB2 1 48 ALA MB 5.570 . 6.070 3.987 3.193 4.354 . 0 0 "[ . 1 . 2 . 3 .]" 1
543 1 35 TRP HB3 1 48 ALA H 4.300 . 4.800 2.750 2.627 2.945 . 0 0 "[ . 1 . 2 . 3 .]" 1
544 1 35 TRP HB3 1 48 ALA MB 5.570 . 6.070 3.090 2.393 3.378 . 0 0 "[ . 1 . 2 . 3 .]" 1
545 1 35 TRP HE1 1 36 TYR H 5.160 . 5.660 4.244 3.821 5.169 . 0 0 "[ . 1 . 2 . 3 .]" 1
546 1 35 TRP HE1 1 89 TYR HA 4.810 . 5.310 4.643 4.375 4.898 . 0 0 "[ . 1 . 2 . 3 .]" 1
547 1 35 TRP HE1 1 89 TYR HB2 4.070 . 4.570 3.659 3.331 4.073 . 0 0 "[ . 1 . 2 . 3 .]" 1
548 1 35 TRP HE1 1 89 TYR QB 3.940 . 4.440 2.326 2.024 2.795 . 0 0 "[ . 1 . 2 . 3 .]" 1
549 1 35 TRP HE1 1 89 TYR HB3 4.070 . 4.570 2.355 2.042 2.860 . 0 0 "[ . 1 . 2 . 3 .]" 1
550 1 35 TRP N 1 48 ALA O 3.000 2.700 3.500 2.947 2.842 3.008 . 0 0 "[ . 1 . 2 . 3 .]" 1
551 1 36 TYR H 1 36 TYR QD 4.560 . 5.060 2.801 2.704 2.912 . 0 0 "[ . 1 . 2 . 3 .]" 1
552 1 36 TYR H 1 37 ARG H 4.790 . 5.290 4.448 4.407 4.489 . 0 0 "[ . 1 . 2 . 3 .]" 1
553 1 36 TYR H 1 44 THR MG 6.610 . 7.110 5.525 5.485 5.543 . 0 0 "[ . 1 . 2 . 3 .]" 1
554 1 36 TYR H 1 47 LEU HB2 5.500 . 6.000 4.792 4.505 5.505 . 0 0 "[ . 1 . 2 . 3 .]" 1
555 1 36 TYR H 1 90 LEU CG 6.980 . 7.480 4.839 4.283 5.210 . 0 0 "[ . 1 . 2 . 3 .]" 1
556 1 36 TYR H 1 90 LEU H 4.150 . 4.650 3.109 2.871 3.257 . 0 0 "[ . 1 . 2 . 3 .]" 1
557 1 36 TYR H 1 90 LEU O 2.000 . 2.500 1.914 1.832 1.989 . 0 0 "[ . 1 . 2 . 3 .]" 1
558 1 36 TYR HA 1 37 ARG H 3.280 . 3.780 2.185 2.110 2.268 . 0 0 "[ . 1 . 2 . 3 .]" 1
559 1 36 TYR HA 1 37 ARG HA 4.580 . 5.080 4.524 4.498 4.538 . 0 0 "[ . 1 . 2 . 3 .]" 1
560 1 36 TYR HA 1 46 LYS HA 3.890 . 4.390 2.697 2.340 2.885 . 0 0 "[ . 1 . 2 . 3 .]" 1
561 1 36 TYR HA 1 47 LEU H 3.980 . 4.480 2.937 2.680 3.192 . 0 0 "[ . 1 . 2 . 3 .]" 1
562 1 36 TYR HA 1 47 LEU HG 4.270 . 4.770 2.482 2.233 3.199 . 0 0 "[ . 1 . 2 . 3 .]" 1
563 1 36 TYR HA 1 48 ALA H 5.190 . 5.690 4.897 4.622 5.089 . 0 0 "[ . 1 . 2 . 3 .]" 1
564 1 36 TYR QB 1 37 ARG H 3.860 . 4.360 2.776 2.607 2.927 . 0 0 "[ . 1 . 2 . 3 .]" 1
565 1 36 TYR QB 1 44 THR HB 4.440 . 4.940 2.370 2.215 2.562 . 0 0 "[ . 1 . 2 . 3 .]" 1
566 1 36 TYR QB 1 44 THR MG 5.270 . 5.770 2.719 2.639 2.825 . 0 0 "[ . 1 . 2 . 3 .]" 1
567 1 36 TYR QB 1 45 ASP H 4.820 . 5.320 3.222 2.872 3.441 . 0 0 "[ . 1 . 2 . 3 .]" 1
568 1 36 TYR QB 1 90 LEU HG 4.290 . 4.790 2.687 2.178 3.039 . 0 0 "[ . 1 . 2 . 3 .]" 1
569 1 36 TYR HB2 1 37 ARG H 3.990 . 4.490 3.882 3.732 3.990 . 0 0 "[ . 1 . 2 . 3 .]" 1
570 1 36 TYR HB2 1 44 THR HB 4.630 . 5.130 3.721 3.377 3.946 . 0 0 "[ . 1 . 2 . 3 .]" 1
571 1 36 TYR HB2 1 44 THR MG 5.490 . 5.990 3.315 3.205 3.397 . 0 0 "[ . 1 . 2 . 3 .]" 1
572 1 36 TYR HB2 1 90 LEU CG 6.460 . 6.960 3.363 3.017 3.612 . 0 0 "[ . 1 . 2 . 3 .]" 1
573 1 36 TYR HB2 1 90 LEU HG 4.570 . 5.070 2.723 2.189 3.114 . 0 0 "[ . 1 . 2 . 3 .]" 1
574 1 36 TYR HB3 1 37 ARG H 3.990 . 4.490 2.843 2.662 3.011 . 0 0 "[ . 1 . 2 . 3 .]" 1
575 1 36 TYR HB3 1 44 THR HB 4.630 . 5.130 2.398 2.243 2.595 . 0 0 "[ . 1 . 2 . 3 .]" 1
576 1 36 TYR HB3 1 44 THR MG 5.490 . 5.990 2.891 2.760 3.041 . 0 0 "[ . 1 . 2 . 3 .]" 1
577 1 36 TYR HB3 1 90 LEU CG 6.460 . 6.960 4.758 4.507 4.966 . 0 0 "[ . 1 . 2 . 3 .]" 1
578 1 36 TYR HB3 1 90 LEU HG 4.570 . 5.070 4.160 3.682 4.527 . 0 0 "[ . 1 . 2 . 3 .]" 1
579 1 36 TYR QD 1 37 ARG H 4.860 . 5.360 4.021 3.877 4.253 . 0 0 "[ . 1 . 2 . 3 .]" 1
580 1 36 TYR QD 1 44 THR HB 4.500 . 5.000 2.856 2.579 3.207 . 0 0 "[ . 1 . 2 . 3 .]" 1
581 1 36 TYR QD 1 44 THR MG 6.160 . 6.660 3.957 3.804 4.113 . 0 0 "[ . 1 . 2 . 3 .]" 1
582 1 36 TYR QD 1 46 LYS H 4.560 . 5.060 3.560 3.292 3.872 . 0 0 "[ . 1 . 2 . 3 .]" 1
583 1 36 TYR QD 1 46 LYS HA 4.220 . 4.720 2.589 2.411 2.842 . 0 0 "[ . 1 . 2 . 3 .]" 1
584 1 36 TYR QD 1 46 LYS QB 5.250 . 5.750 3.101 2.809 3.349 . 0 0 "[ . 1 . 2 . 3 .]" 1
585 1 36 TYR QD 1 47 LEU H 5.510 . 6.010 4.334 4.156 4.620 . 0 0 "[ . 1 . 2 . 3 .]" 1
586 1 36 TYR QD 1 90 LEU CG 6.660 . 7.160 4.095 3.516 4.480 . 0 0 "[ . 1 . 2 . 3 .]" 1
587 1 36 TYR QD 1 90 LEU H 5.290 . 5.790 4.591 4.448 4.677 . 0 0 "[ . 1 . 2 . 3 .]" 1
588 1 36 TYR QD 1 90 LEU HA 6.170 . 6.670 5.503 5.367 5.547 . 0 0 "[ . 1 . 2 . 3 .]" 1
589 1 36 TYR QD 1 90 LEU HG 5.080 . 5.580 3.382 2.657 4.526 . 0 0 "[ . 1 . 2 . 3 .]" 1
590 1 36 TYR QE 1 46 LYS QG 5.270 . 5.770 3.121 2.646 3.748 . 0 0 "[ . 1 . 2 . 3 .]" 1
591 1 36 TYR QE 1 92 GLY H 4.970 . 5.470 3.184 2.695 4.049 . 0 0 "[ . 1 . 2 . 3 .]" 1
592 1 36 TYR QE 1 92 GLY HA3 4.440 . 4.940 2.562 2.218 3.961 . 0 0 "[ . 1 . 2 . 3 .]" 1
593 1 36 TYR QE 1 102 ILE MD 6.200 . 6.700 3.603 2.921 4.096 . 0 0 "[ . 1 . 2 . 3 .]" 1
594 1 36 TYR N 1 90 LEU O 3.000 2.700 3.500 2.886 2.800 2.968 . 0 0 "[ . 1 . 2 . 3 .]" 1
595 1 36 TYR O 1 90 LEU H 2.000 . 2.500 1.978 1.907 2.025 . 0 0 "[ . 1 . 2 . 3 .]" 1
596 1 36 TYR O 1 90 LEU N 3.000 2.700 3.500 2.961 2.878 3.005 . 0 0 "[ . 1 . 2 . 3 .]" 1
597 1 37 ARG H 1 37 ARG HB2 3.980 . 4.480 2.970 2.744 3.046 . 0 0 "[ . 1 . 2 . 3 .]" 1
598 1 37 ARG H 1 37 ARG HB3 3.980 . 4.480 2.535 2.328 2.626 . 0 0 "[ . 1 . 2 . 3 .]" 1
599 1 37 ARG H 1 38 MET H 4.740 . 5.240 4.515 4.442 4.577 . 0 0 "[ . 1 . 2 . 3 .]" 1
600 1 37 ARG H 1 45 ASP H 3.700 . 4.200 2.822 2.651 2.923 . 0 0 "[ . 1 . 2 . 3 .]" 1
601 1 37 ARG H 1 45 ASP O 2.000 . 2.500 1.994 1.874 2.031 . 0 0 "[ . 1 . 2 . 3 .]" 1
602 1 37 ARG H 1 47 LEU CG 6.340 . 6.840 3.550 3.422 4.129 . 0 0 "[ . 1 . 2 . 3 .]" 1
603 1 37 ARG H 1 47 LEU H 5.290 . 5.790 4.398 4.106 4.749 . 0 0 "[ . 1 . 2 . 3 .]" 1
604 1 37 ARG H 1 47 LEU MD1 5.700 . 6.200 3.075 2.854 4.038 . 0 0 "[ . 1 . 2 . 3 .]" 1
605 1 37 ARG H 1 47 LEU MD2 5.700 . 6.200 3.235 2.856 3.717 . 0 0 "[ . 1 . 2 . 3 .]" 1
606 1 37 ARG H 1 47 LEU HG 4.290 . 4.790 2.719 2.532 3.121 . 0 0 "[ . 1 . 2 . 3 .]" 1
607 1 37 ARG HA 1 37 ARG HG2 4.220 . 4.720 3.155 2.944 3.430 . 0 0 "[ . 1 . 2 . 3 .]" 1
608 1 37 ARG HA 1 38 MET H 3.100 . 3.600 2.284 2.169 2.319 . 0 0 "[ . 1 . 2 . 3 .]" 1
609 1 37 ARG HA 1 89 TYR HA 3.660 . 4.160 2.380 2.211 2.796 . 0 0 "[ . 1 . 2 . 3 .]" 1
610 1 37 ARG HA 1 89 TYR QD 4.730 . 5.230 3.120 2.408 3.688 . 0 0 "[ . 1 . 2 . 3 .]" 1
611 1 37 ARG HA 1 90 LEU CG 7.000 . 7.500 6.198 5.788 6.481 . 0 0 "[ . 1 . 2 . 3 .]" 1
612 1 37 ARG HA 1 90 LEU H 4.600 . 5.100 3.852 3.641 4.164 . 0 0 "[ . 1 . 2 . 3 .]" 1
613 1 37 ARG QB 1 38 MET H 4.850 . 5.350 3.684 3.644 3.792 . 0 0 "[ . 1 . 2 . 3 .]" 1
614 1 37 ARG QB 1 45 ASP HB2 5.100 . 5.600 4.207 3.779 4.545 . 0 0 "[ . 1 . 2 . 3 .]" 1
615 1 37 ARG QB 1 45 ASP HB3 4.960 . 5.460 2.809 2.328 3.146 . 0 0 "[ . 1 . 2 . 3 .]" 1
616 1 37 ARG QB 1 47 LEU CG 6.060 . 6.560 3.341 3.130 3.497 . 0 0 "[ . 1 . 2 . 3 .]" 1
617 1 37 ARG QB 1 89 TYR QE 5.420 . 5.920 2.738 2.402 3.226 . 0 0 "[ . 1 . 2 . 3 .]" 1
618 1 37 ARG HB2 1 45 ASP H 5.030 . 5.530 5.030 4.703 5.075 . 0 0 "[ . 1 . 2 . 3 .]" 1
619 1 37 ARG HB2 1 47 LEU MD1 5.390 . 5.890 2.125 2.048 2.271 . 0 0 "[ . 1 . 2 . 3 .]" 1
620 1 37 ARG HB2 1 47 LEU MD2 5.390 . 5.890 2.326 2.176 3.017 . 0 0 "[ . 1 . 2 . 3 .]" 1
621 1 37 ARG HB3 1 45 ASP H 5.030 . 5.530 3.639 3.282 3.727 . 0 0 "[ . 1 . 2 . 3 .]" 1
622 1 37 ARG HB3 1 47 LEU MD1 5.390 . 5.890 3.376 3.153 3.485 . 0 0 "[ . 1 . 2 . 3 .]" 1
623 1 37 ARG HB3 1 47 LEU MD2 5.390 . 5.890 2.582 2.273 3.233 . 0 0 "[ . 1 . 2 . 3 .]" 1
624 1 37 ARG QD 1 47 LEU CG 6.180 . 6.680 4.917 4.232 5.183 . 0 0 "[ . 1 . 2 . 3 .]" 1
625 1 37 ARG QD 1 89 TYR QE 5.010 . 5.510 3.138 2.354 3.639 . 0 0 "[ . 1 . 2 . 3 .]" 1
626 1 37 ARG HD2 1 47 LEU MD1 6.170 . 6.670 4.163 2.374 5.187 . 0 0 "[ . 1 . 2 . 3 .]" 1
627 1 37 ARG HD2 1 47 LEU MD2 6.170 . 6.670 3.658 3.129 4.765 . 0 0 "[ . 1 . 2 . 3 .]" 1
628 1 37 ARG HD2 1 89 TYR QE 5.260 . 5.760 3.484 2.370 4.695 . 0 0 "[ . 1 . 2 . 3 .]" 1
629 1 37 ARG HD3 1 47 LEU MD1 6.170 . 6.670 4.443 3.085 4.886 . 0 0 "[ . 1 . 2 . 3 .]" 1
630 1 37 ARG HD3 1 47 LEU MD2 6.170 . 6.670 3.476 2.897 3.858 . 0 0 "[ . 1 . 2 . 3 .]" 1
631 1 37 ARG HD3 1 89 TYR QE 5.260 . 5.760 4.244 2.937 4.695 . 0 0 "[ . 1 . 2 . 3 .]" 1
632 1 37 ARG HG2 1 38 MET H 3.880 . 4.380 2.821 2.584 3.361 . 0 0 "[ . 1 . 2 . 3 .]" 1
633 1 37 ARG HG2 1 45 ASP H 4.900 . 5.400 4.886 4.573 4.963 . 0 0 "[ . 1 . 2 . 3 .]" 1
634 1 37 ARG HG3 1 38 MET H 3.470 . 3.970 2.901 2.693 3.316 . 0 0 "[ . 1 . 2 . 3 .]" 1
635 1 37 ARG HG3 1 47 LEU CG 6.980 . 7.480 5.977 5.591 6.167 . 0 0 "[ . 1 . 2 . 3 .]" 1
636 1 37 ARG HG3 1 89 TYR QD 4.690 . 5.190 3.824 3.264 4.180 . 0 0 "[ . 1 . 2 . 3 .]" 1
637 1 37 ARG HG3 1 89 TYR QE 4.560 . 5.060 3.365 2.746 3.705 . 0 0 "[ . 1 . 2 . 3 .]" 1
638 1 37 ARG N 1 45 ASP O 3.000 2.700 3.500 2.984 2.878 3.021 . 0 0 "[ . 1 . 2 . 3 .]" 1
639 1 38 MET H 1 38 MET HB2 3.870 . 4.370 2.644 2.157 3.195 . 0 0 "[ . 1 . 2 . 3 .]" 1
640 1 38 MET H 1 38 MET QB 3.740 . 4.240 2.519 2.111 2.645 . 0 0 "[ . 1 . 2 . 3 .]" 1
641 1 38 MET H 1 38 MET HB3 3.870 . 4.370 3.565 2.153 3.747 . 0 0 "[ . 1 . 2 . 3 .]" 1
642 1 38 MET H 1 38 MET HG2 4.380 . 4.880 3.227 2.412 4.415 . 0 0 "[ . 1 . 2 . 3 .]" 1
643 1 38 MET H 1 38 MET QG 3.980 . 4.480 2.594 2.352 3.677 . 0 0 "[ . 1 . 2 . 3 .]" 1
644 1 38 MET H 1 38 MET HG3 4.380 . 4.880 2.936 2.432 4.413 . 0 0 "[ . 1 . 2 . 3 .]" 1
645 1 38 MET H 1 39 SER H 4.620 . 5.120 4.584 4.399 4.632 . 0 0 "[ . 1 . 2 . 3 .]" 1
646 1 38 MET H 1 44 THR MG 6.040 . 6.540 4.249 3.990 4.903 . 0 0 "[ . 1 . 2 . 3 .]" 1
647 1 38 MET H 1 88 THR H 5.130 . 5.630 4.087 3.817 4.490 . 0 0 "[ . 1 . 2 . 3 .]" 1
648 1 38 MET H 1 88 THR HB 4.280 . 4.780 3.490 3.121 3.838 . 0 0 "[ . 1 . 2 . 3 .]" 1
649 1 38 MET H 1 89 TYR HA 3.850 . 4.350 3.070 2.775 3.325 . 0 0 "[ . 1 . 2 . 3 .]" 1
650 1 38 MET H 1 90 LEU CG 6.840 . 7.340 6.386 5.911 6.706 . 0 0 "[ . 1 . 2 . 3 .]" 1
651 1 38 MET HA 1 38 MET ME 4.880 . 5.380 3.245 2.340 3.813 . 0 0 "[ . 1 . 2 . 3 .]" 1
652 1 38 MET HA 1 39 SER H 2.880 . 3.380 2.175 2.108 2.240 . 0 0 "[ . 1 . 2 . 3 .]" 1
653 1 38 MET HA 1 44 THR HA 3.990 . 4.490 2.425 2.253 2.869 . 0 0 "[ . 1 . 2 . 3 .]" 1
654 1 38 MET HA 1 44 THR MG 4.890 . 5.390 2.606 2.389 3.329 . 0 0 "[ . 1 . 2 . 3 .]" 1
655 1 38 MET QB 1 39 SER H 4.390 . 4.890 2.902 2.676 3.787 . 0 0 "[ . 1 . 2 . 3 .]" 1
656 1 38 MET QB 1 88 THR H 4.870 . 5.370 3.623 3.341 4.358 . 0 0 "[ . 1 . 2 . 3 .]" 1
657 1 38 MET QB 1 88 THR HB 3.980 . 4.480 2.126 1.904 2.278 . 0 0 "[ . 1 . 2 . 3 .]" 1
658 1 38 MET QB 1 88 THR MG 5.700 . 6.200 3.338 2.361 3.580 . 0 0 "[ . 1 . 2 . 3 .]" 1
659 1 38 MET HB2 1 39 SER H 4.690 . 5.190 3.936 3.757 4.464 . 0 0 "[ . 1 . 2 . 3 .]" 1
660 1 38 MET HB2 1 88 THR HB 4.050 . 4.550 2.289 2.071 3.954 . 0 0 "[ . 1 . 2 . 3 .]" 1
661 1 38 MET HB3 1 39 SER H 4.690 . 5.190 3.025 2.735 4.438 . 0 0 "[ . 1 . 2 . 3 .]" 1
662 1 38 MET HB3 1 88 THR HB 4.050 . 4.550 3.422 2.189 3.699 . 0 0 "[ . 1 . 2 . 3 .]" 1
663 1 38 MET ME 1 39 SER H 5.270 . 5.770 3.763 2.672 4.395 . 0 0 "[ . 1 . 2 . 3 .]" 1
664 1 38 MET ME 1 42 ASN HA 4.430 . 4.930 3.203 2.492 3.706 . 0 0 "[ . 1 . 2 . 3 .]" 1
665 1 38 MET ME 1 44 THR HA 5.130 . 5.630 4.213 3.797 4.294 . 0 0 "[ . 1 . 2 . 3 .]" 1
666 1 38 MET ME 1 44 THR HB 5.940 . 6.440 4.874 4.638 4.979 . 0 0 "[ . 1 . 2 . 3 .]" 1
667 1 38 MET ME 1 44 THR MG 5.260 . 5.760 2.277 2.112 2.478 . 0 0 "[ . 1 . 2 . 3 .]" 1
668 1 38 MET ME 1 88 THR HB 6.150 . 6.650 4.541 4.313 5.167 . 0 0 "[ . 1 . 2 . 3 .]" 1
669 1 38 MET ME 1 88 THR MG 7.170 . 7.670 4.083 3.838 4.608 . 0 0 "[ . 1 . 2 . 3 .]" 1
670 1 38 MET ME 1 90 LEU CG 6.960 . 7.460 4.674 3.501 5.796 . 0 0 "[ . 1 . 2 . 3 .]" 1
671 1 38 MET QG 1 44 THR MG 5.820 . 6.320 2.550 2.093 4.051 . 0 0 "[ . 1 . 2 . 3 .]" 1
672 1 38 MET QG 1 90 LEU CG 6.860 . 7.360 4.355 3.681 5.771 . 0 0 "[ . 1 . 2 . 3 .]" 1
673 1 38 MET HG2 1 88 THR HB 4.280 . 4.780 3.748 2.257 4.315 . 0 0 "[ . 1 . 2 . 3 .]" 1
674 1 38 MET HG2 1 88 THR MG 5.080 . 5.580 3.795 2.591 4.242 . 0 0 "[ . 1 . 2 . 3 .]" 1
675 1 38 MET HG3 1 88 THR HB 4.280 . 4.780 2.693 2.350 3.922 . 0 0 "[ . 1 . 2 . 3 .]" 1
676 1 38 MET HG3 1 88 THR MG 5.080 . 5.580 2.855 2.472 4.067 . 0 0 "[ . 1 . 2 . 3 .]" 1
677 1 39 SER H 1 39 SER HB2 3.960 . 4.460 2.741 2.314 3.704 . 0 0 "[ . 1 . 2 . 3 .]" 1
678 1 39 SER H 1 39 SER QB 3.700 . 4.200 2.451 2.288 2.587 . 0 0 "[ . 1 . 2 . 3 .]" 1
679 1 39 SER H 1 39 SER HB3 3.960 . 4.460 3.420 2.493 3.718 . 0 0 "[ . 1 . 2 . 3 .]" 1
680 1 39 SER H 1 42 ASN H 5.030 . 5.530 4.373 3.894 4.939 . 0 0 "[ . 1 . 2 . 3 .]" 1
681 1 39 SER H 1 43 GLN H 3.850 . 4.350 3.178 2.920 3.468 . 0 0 "[ . 1 . 2 . 3 .]" 1
682 1 39 SER H 1 44 THR HA 3.910 . 4.410 3.187 2.890 3.588 . 0 0 "[ . 1 . 2 . 3 .]" 1
683 1 39 SER HA 1 40 PRO HD2 3.430 . 3.930 2.744 2.428 3.117 . 0 0 "[ . 1 . 2 . 3 .]" 1
684 1 39 SER HA 1 40 PRO HD3 3.660 . 4.160 2.289 2.039 2.632 . 0 0 "[ . 1 . 2 . 3 .]" 1
685 1 39 SER QB 1 40 PRO HD2 4.530 . 5.030 2.232 2.054 2.376 . 0 0 "[ . 1 . 2 . 3 .]" 1
686 1 39 SER QB 1 40 PRO HD3 4.230 . 4.730 3.261 2.884 3.604 . 0 0 "[ . 1 . 2 . 3 .]" 1
687 1 39 SER QB 1 40 PRO QG 5.520 . 6.020 3.951 3.540 4.234 . 0 0 "[ . 1 . 2 . 3 .]" 1
688 1 39 SER QB 1 43 GLN H 4.860 . 5.360 2.725 2.244 3.420 . 0 0 "[ . 1 . 2 . 3 .]" 1
689 1 39 SER QB 1 43 GLN QB 5.470 . 5.970 2.583 2.201 4.050 . 0 0 "[ . 1 . 2 . 3 .]" 1
690 1 39 SER QB 1 43 GLN QG 5.690 . 6.190 3.818 2.043 4.525 . 0 0 "[ . 1 . 2 . 3 .]" 1
691 1 40 PRO HA 1 42 ASN H 4.040 . 4.540 3.458 3.183 3.694 . 0 0 "[ . 1 . 2 . 3 .]" 1
692 1 40 PRO HD2 1 43 GLN H 5.500 . 6.000 5.505 5.312 5.556 . 0 0 "[ . 1 . 2 . 3 .]" 1
693 1 41 SER H 1 42 ASN H 3.970 . 4.470 2.812 2.463 3.028 . 0 0 "[ . 1 . 2 . 3 .]" 1
694 1 41 SER QB 1 43 GLN H 5.990 . 6.490 3.490 3.086 4.337 . 0 0 "[ . 1 . 2 . 3 .]" 1
695 1 41 SER HB2 1 43 GLN QG 4.850 . 5.350 2.948 2.420 4.324 . 0 0 "[ . 1 . 2 . 3 .]" 1
696 1 41 SER HB3 1 43 GLN QG 4.850 . 5.350 3.570 2.631 4.332 . 0 0 "[ . 1 . 2 . 3 .]" 1
697 1 42 ASN H 1 42 ASN HA 2.770 . 3.270 2.219 2.176 2.243 . 0 0 "[ . 1 . 2 . 3 .]" 1
698 1 42 ASN H 1 42 ASN HB2 4.120 . 4.620 3.440 3.048 3.957 . 0 0 "[ . 1 . 2 . 3 .]" 1
699 1 42 ASN H 1 42 ASN HB3 4.120 . 4.620 3.796 2.968 4.103 . 0 0 "[ . 1 . 2 . 3 .]" 1
700 1 42 ASN H 1 43 GLN H 3.300 . 3.800 2.624 2.505 2.878 . 0 0 "[ . 1 . 2 . 3 .]" 1
701 1 42 ASN HA 1 43 GLN H 3.490 . 3.990 2.849 2.579 3.019 . 0 0 "[ . 1 . 2 . 3 .]" 1
702 1 42 ASN HA 1 43 GLN HA 4.500 . 5.000 4.537 4.390 4.572 . 0 0 "[ . 1 . 2 . 3 .]" 1
703 1 43 GLN H 1 43 GLN HB2 3.920 . 4.420 2.682 2.452 3.950 . 0 0 "[ . 1 . 2 . 3 .]" 1
704 1 43 GLN H 1 43 GLN QB 3.590 . 4.090 2.567 2.416 3.164 . 0 0 "[ . 1 . 2 . 3 .]" 1
705 1 43 GLN H 1 43 GLN HB3 3.920 . 4.420 3.677 2.870 3.864 . 0 0 "[ . 1 . 2 . 3 .]" 1
706 1 43 GLN H 1 43 GLN QG 3.930 . 4.430 2.738 2.250 3.328 . 0 0 "[ . 1 . 2 . 3 .]" 1
707 1 43 GLN H 1 44 THR H 4.680 . 5.180 4.468 4.370 4.605 . 0 0 "[ . 1 . 2 . 3 .]" 1
708 1 43 GLN HA 1 44 THR H 2.810 . 3.310 2.687 2.388 2.800 . 0 0 "[ . 1 . 2 . 3 .]" 1
709 1 43 GLN QB 1 44 THR H 3.690 . 4.190 2.096 1.993 2.481 . 0 0 "[ . 1 . 2 . 3 .]" 1
710 1 43 GLN HB2 1 44 THR H 3.880 . 4.380 3.143 2.083 3.562 . 0 0 "[ . 1 . 2 . 3 .]" 1
711 1 43 GLN HB3 1 44 THR H 3.880 . 4.380 2.246 2.013 3.858 . 0 0 "[ . 1 . 2 . 3 .]" 1
712 1 43 GLN QG 1 44 THR H 4.660 . 5.160 3.919 2.866 4.169 . 0 0 "[ . 1 . 2 . 3 .]" 1
713 1 44 THR H 1 44 THR HB 4.140 . 4.640 3.785 3.659 3.862 . 0 0 "[ . 1 . 2 . 3 .]" 1
714 1 44 THR H 1 44 THR MG 4.300 . 4.800 3.432 3.217 3.600 . 0 0 "[ . 1 . 2 . 3 .]" 1
715 1 44 THR H 1 45 ASP H 4.580 . 5.080 4.328 4.161 4.420 . 0 0 "[ . 1 . 2 . 3 .]" 1
716 1 44 THR H 1 45 ASP HB2 5.100 . 5.600 5.163 4.997 5.207 . 0 0 "[ . 1 . 2 . 3 .]" 1
717 1 44 THR HA 1 45 ASP H 2.920 . 3.420 2.179 2.109 2.241 . 0 0 "[ . 1 . 2 . 3 .]" 1
718 1 44 THR HB 1 45 ASP H 3.820 . 4.320 2.884 2.648 3.515 . 0 0 "[ . 1 . 2 . 3 .]" 1
719 1 44 THR HB 1 90 LEU CG 6.750 . 7.250 5.738 5.211 6.068 . 0 0 "[ . 1 . 2 . 3 .]" 1
720 1 44 THR MG 1 45 ASP H 4.590 . 5.090 3.447 3.305 3.828 . 0 0 "[ . 1 . 2 . 3 .]" 1
721 1 44 THR MG 1 90 LEU CG 6.500 . 7.000 3.752 3.320 4.024 . 0 0 "[ . 1 . 2 . 3 .]" 1
722 1 45 ASP H 1 45 ASP HB2 3.400 . 3.900 2.914 2.662 3.245 . 0 0 "[ . 1 . 2 . 3 .]" 1
723 1 45 ASP H 1 45 ASP HB3 3.720 . 4.220 2.634 2.252 2.759 . 0 0 "[ . 1 . 2 . 3 .]" 1
724 1 45 ASP HA 1 46 LYS H 2.810 . 3.310 2.143 2.084 2.188 . 0 0 "[ . 1 . 2 . 3 .]" 1
725 1 45 ASP HB2 1 46 LYS H 4.440 . 4.940 4.257 3.975 4.400 . 0 0 "[ . 1 . 2 . 3 .]" 1
726 1 45 ASP HB2 1 47 LEU CG 6.710 . 7.210 6.764 6.638 6.802 . 0 0 "[ . 1 . 2 . 3 .]" 1
727 1 45 ASP HB3 1 46 LYS H 3.970 . 4.470 4.057 3.996 4.505 0.035 5 0 "[ . 1 . 2 . 3 .]" 1
728 1 45 ASP HB3 1 47 LEU CG 6.510 . 7.010 5.059 5.020 5.574 . 0 0 "[ . 1 . 2 . 3 .]" 1
729 1 46 LYS H 1 46 LYS HB2 3.370 . 3.870 2.550 2.404 2.677 . 0 0 "[ . 1 . 2 . 3 .]" 1
730 1 46 LYS H 1 46 LYS HB3 3.370 . 3.870 2.578 2.373 2.833 . 0 0 "[ . 1 . 2 . 3 .]" 1
731 1 46 LYS H 1 46 LYS QG 4.580 . 5.080 4.016 3.978 4.054 . 0 0 "[ . 1 . 2 . 3 .]" 1
732 1 46 LYS H 1 47 LEU H 4.610 . 5.110 4.528 4.460 4.586 . 0 0 "[ . 1 . 2 . 3 .]" 1
733 1 46 LYS HA 1 47 LEU H 3.280 . 3.780 2.107 2.081 2.153 . 0 0 "[ . 1 . 2 . 3 .]" 1
734 1 46 LYS HA 1 48 ALA H 4.200 . 4.700 4.159 3.869 4.266 . 0 0 "[ . 1 . 2 . 3 .]" 1
735 1 46 LYS HB2 1 46 LYS QE 4.740 . 5.240 3.620 2.139 4.089 . 0 0 "[ . 1 . 2 . 3 .]" 1
736 1 46 LYS HB3 1 46 LYS QE 4.740 . 5.240 3.843 2.639 4.248 . 0 0 "[ . 1 . 2 . 3 .]" 1
737 1 46 LYS QE 1 49 ALA MB 4.970 . 5.470 2.819 1.991 3.706 . 0 0 "[ . 1 . 2 . 3 .]" 1
738 1 46 LYS QG 1 47 LEU H 4.280 . 4.780 2.813 2.502 3.099 . 0 0 "[ . 1 . 2 . 3 .]" 1
739 1 46 LYS QG 1 48 ALA H 4.070 . 4.570 3.206 2.684 3.581 . 0 0 "[ . 1 . 2 . 3 .]" 1
740 1 47 LEU CG 1 48 ALA H 6.850 . 7.350 4.199 4.046 4.487 . 0 0 "[ . 1 . 2 . 3 .]" 1
741 1 47 LEU CG 1 63 PHE QD 7.370 . 7.870 4.322 3.864 4.730 . 0 0 "[ . 1 . 2 . 3 .]" 1
742 1 47 LEU CG 1 78 VAL CB 8.980 . 9.480 8.482 7.980 9.020 . 0 0 "[ . 1 . 2 . 3 .]" 1
743 1 47 LEU CG 1 89 TYR QD 6.030 . 6.530 4.396 4.286 4.674 . 0 0 "[ . 1 . 2 . 3 .]" 1
744 1 47 LEU CG 1 89 TYR QE 5.970 . 6.470 3.992 3.829 4.212 . 0 0 "[ . 1 . 2 . 3 .]" 1
745 1 47 LEU H 1 47 LEU HB2 3.930 . 4.430 2.441 2.369 2.614 . 0 0 "[ . 1 . 2 . 3 .]" 1
746 1 47 LEU H 1 47 LEU HG 3.570 . 4.070 2.455 2.306 2.721 . 0 0 "[ . 1 . 2 . 3 .]" 1
747 1 47 LEU H 1 48 ALA H 3.340 . 3.840 2.348 2.164 2.506 . 0 0 "[ . 1 . 2 . 3 .]" 1
748 1 47 LEU H 1 48 ALA MB 6.410 . 6.910 4.592 4.333 4.740 . 0 0 "[ . 1 . 2 . 3 .]" 1
749 1 47 LEU HA 1 63 PHE QD 5.690 . 6.190 4.044 3.217 5.085 . 0 0 "[ . 1 . 2 . 3 .]" 1
750 1 47 LEU HB2 1 48 ALA H 3.770 . 4.270 2.395 2.235 2.888 . 0 0 "[ . 1 . 2 . 3 .]" 1
751 1 47 LEU HB2 1 48 ALA MB 5.680 . 6.180 3.433 3.189 3.707 . 0 0 "[ . 1 . 2 . 3 .]" 1
752 1 47 LEU HB3 1 48 ALA H 4.090 . 4.590 3.526 3.388 3.947 . 0 0 "[ . 1 . 2 . 3 .]" 1
753 1 47 LEU HB3 1 48 ALA MB 5.570 . 6.070 3.560 3.396 3.839 . 0 0 "[ . 1 . 2 . 3 .]" 1
754 1 47 LEU MD1 1 89 TYR QD 6.240 . 6.740 2.265 2.142 2.739 . 0 0 "[ . 1 . 2 . 3 .]" 1
755 1 47 LEU MD2 1 89 TYR QD 6.240 . 6.740 4.348 4.210 4.679 . 0 0 "[ . 1 . 2 . 3 .]" 1
756 1 48 ALA H 1 49 ALA H 4.580 . 5.080 4.363 4.325 4.429 . 0 0 "[ . 1 . 2 . 3 .]" 1
757 1 48 ALA HA 1 49 ALA H 2.940 . 3.440 2.504 2.372 2.593 . 0 0 "[ . 1 . 2 . 3 .]" 1
758 1 48 ALA MB 1 49 ALA H 3.810 . 4.310 2.292 2.163 2.549 . 0 0 "[ . 1 . 2 . 3 .]" 1
759 1 48 ALA MB 1 49 ALA HA 5.580 . 6.080 4.032 3.938 4.168 . 0 0 "[ . 1 . 2 . 3 .]" 1
760 1 48 ALA MB 1 49 ALA MB 6.560 . 7.060 4.126 4.046 4.221 . 0 0 "[ . 1 . 2 . 3 .]" 1
761 1 48 ALA MB 1 63 PHE HA 6.290 . 6.790 4.234 3.802 4.892 . 0 0 "[ . 1 . 2 . 3 .]" 1
762 1 48 ALA MB 1 63 PHE HB2 4.940 . 5.440 2.883 2.313 3.828 . 0 0 "[ . 1 . 2 . 3 .]" 1
763 1 48 ALA MB 1 63 PHE HB3 4.940 . 5.440 2.774 2.262 3.292 . 0 0 "[ . 1 . 2 . 3 .]" 1
764 1 48 ALA MB 1 64 ARG HA 5.440 . 5.940 2.963 2.480 4.131 . 0 0 "[ . 1 . 2 . 3 .]" 1
765 1 48 ALA MB 1 65 VAL CB 6.260 . 6.760 3.800 3.413 4.023 . 0 0 "[ . 1 . 2 . 3 .]" 1
766 1 48 ALA MB 1 65 VAL H 6.610 . 7.110 3.323 2.638 4.129 . 0 0 "[ . 1 . 2 . 3 .]" 1
767 1 49 ALA H 1 52 GLU HA 4.740 . 5.240 3.830 2.949 4.760 . 0 0 "[ . 1 . 2 . 3 .]" 1
768 1 49 ALA H 1 65 VAL CB 6.800 . 7.300 4.511 4.145 5.245 . 0 0 "[ . 1 . 2 . 3 .]" 1
769 1 49 ALA HA 1 50 PHE H 3.170 . 3.670 2.361 2.202 2.483 . 0 0 "[ . 1 . 2 . 3 .]" 1
770 1 49 ALA HA 1 65 VAL CB 6.540 . 7.040 4.282 3.597 5.310 . 0 0 "[ . 1 . 2 . 3 .]" 1
771 1 49 ALA MB 1 50 PHE H 4.160 . 4.660 2.442 2.297 2.783 . 0 0 "[ . 1 . 2 . 3 .]" 1
772 1 49 ALA MB 1 52 GLU HA 4.880 . 5.380 2.888 2.093 4.111 . 0 0 "[ . 1 . 2 . 3 .]" 1
773 1 49 ALA MB 1 53 ASP H 5.160 . 5.660 2.665 1.749 4.308 0.051 7 0 "[ . 1 . 2 . 3 .]" 1
774 1 50 PHE H 1 50 PHE QD 5.340 . 5.840 4.421 4.323 4.536 . 0 0 "[ . 1 . 2 . 3 .]" 1
775 1 50 PHE H 1 65 VAL CB 6.520 . 7.020 4.865 4.159 5.830 . 0 0 "[ . 1 . 2 . 3 .]" 1
776 1 50 PHE H 1 65 VAL MG1 5.980 . 6.480 3.576 3.056 4.980 . 0 0 "[ . 1 . 2 . 3 .]" 1
777 1 50 PHE H 1 65 VAL MG2 5.980 . 6.480 3.948 3.223 4.514 . 0 0 "[ . 1 . 2 . 3 .]" 1
778 1 50 PHE HA 1 51 PRO HA 3.370 . 3.870 2.313 2.130 2.719 . 0 0 "[ . 1 . 2 . 3 .]" 1
779 1 50 PHE HA 1 51 PRO QB 4.870 . 5.370 4.060 3.960 4.191 . 0 0 "[ . 1 . 2 . 3 .]" 1
780 1 50 PHE HA 1 52 GLU H 3.640 . 4.140 3.222 2.787 3.516 . 0 0 "[ . 1 . 2 . 3 .]" 1
781 1 50 PHE HA 1 52 GLU HA 4.510 . 5.010 3.579 3.155 4.095 . 0 0 "[ . 1 . 2 . 3 .]" 1
782 1 50 PHE HA 1 65 VAL CB 7.640 . 8.140 5.289 4.849 5.987 . 0 0 "[ . 1 . 2 . 3 .]" 1
783 1 50 PHE QB 1 65 VAL CB 6.140 . 6.640 3.269 2.857 3.722 . 0 0 "[ . 1 . 2 . 3 .]" 1
784 1 50 PHE QB 1 65 VAL HB 5.160 . 5.660 2.688 2.203 3.333 . 0 0 "[ . 1 . 2 . 3 .]" 1
785 1 50 PHE QD 1 51 PRO HA 4.520 . 5.020 3.387 2.825 3.665 . 0 0 "[ . 1 . 2 . 3 .]" 1
786 1 50 PHE QD 1 51 PRO QD 6.300 . 6.800 3.362 2.858 4.039 . 0 0 "[ . 1 . 2 . 3 .]" 1
787 1 50 PHE QD 1 52 GLU H 5.190 . 5.690 4.440 3.728 4.751 . 0 0 "[ . 1 . 2 . 3 .]" 1
788 1 50 PHE QD 1 52 GLU QG 6.240 . 6.740 4.264 3.043 4.991 . 0 0 "[ . 1 . 2 . 3 .]" 1
789 1 50 PHE QD 1 65 VAL CB 6.940 . 7.440 4.837 4.100 5.425 . 0 0 "[ . 1 . 2 . 3 .]" 1
790 1 50 PHE QD 1 65 VAL HB 5.310 . 5.810 4.165 3.316 4.764 . 0 0 "[ . 1 . 2 . 3 .]" 1
791 1 51 PRO HA 1 52 GLU H 2.900 . 3.400 2.358 2.236 3.249 . 0 0 "[ . 1 . 2 . 3 .]" 1
792 1 51 PRO QB 1 52 GLU H 3.450 . 3.950 2.849 2.500 3.092 . 0 0 "[ . 1 . 2 . 3 .]" 1
793 1 51 PRO HB2 1 52 GLU H 3.790 . 4.290 3.313 2.536 3.701 . 0 0 "[ . 1 . 2 . 3 .]" 1
794 1 51 PRO HB3 1 52 GLU H 3.790 . 4.290 3.283 2.799 3.834 . 0 0 "[ . 1 . 2 . 3 .]" 1
795 1 52 GLU H 1 52 GLU HB2 3.890 . 4.390 2.841 2.334 3.667 . 0 0 "[ . 1 . 2 . 3 .]" 1
796 1 52 GLU H 1 52 GLU QB 3.410 . 3.910 2.488 2.305 2.895 . 0 0 "[ . 1 . 2 . 3 .]" 1
797 1 52 GLU H 1 52 GLU HB3 3.890 . 4.390 3.321 2.546 3.964 . 0 0 "[ . 1 . 2 . 3 .]" 1
798 1 52 GLU H 1 52 GLU QG 4.030 . 4.530 2.472 1.956 3.343 . 0 0 "[ . 1 . 2 . 3 .]" 1
799 1 52 GLU HA 1 53 ASP H 2.790 . 3.290 2.168 2.036 2.286 . 0 0 "[ . 1 . 2 . 3 .]" 1
800 1 52 GLU QG 1 54 ARG QD 6.060 . 6.560 4.200 3.038 4.841 . 0 0 "[ . 1 . 2 . 3 .]" 1
801 1 52 GLU QG 1 54 ARG QG 5.820 . 6.320 3.903 2.262 4.663 . 0 0 "[ . 1 . 2 . 3 .]" 1
802 1 53 ASP H 1 53 ASP HB2 3.710 . 4.210 2.836 2.285 3.676 . 0 0 "[ . 1 . 2 . 3 .]" 1
803 1 53 ASP H 1 53 ASP QB 3.590 . 4.090 2.352 2.097 2.821 . 0 0 "[ . 1 . 2 . 3 .]" 1
804 1 53 ASP H 1 53 ASP HB3 3.710 . 4.210 2.606 2.265 3.639 . 0 0 "[ . 1 . 2 . 3 .]" 1
805 1 53 ASP HA 1 54 ARG H 3.170 . 3.670 2.961 2.121 3.277 . 0 0 "[ . 1 . 2 . 3 .]" 1
806 1 53 ASP QB 1 54 ARG H 4.690 . 5.190 3.664 3.167 4.067 . 0 0 "[ . 1 . 2 . 3 .]" 1
807 1 54 ARG H 1 54 ARG HB2 4.160 . 4.660 2.898 2.195 3.678 . 0 0 "[ . 1 . 2 . 3 .]" 1
808 1 54 ARG H 1 54 ARG HB3 4.160 . 4.660 3.082 2.305 3.778 . 0 0 "[ . 1 . 2 . 3 .]" 1
809 1 54 ARG H 1 55 SER H 3.740 . 4.240 2.825 2.313 3.131 . 0 0 "[ . 1 . 2 . 3 .]" 1
810 1 54 ARG HA 1 54 ARG QD 4.710 . 5.210 3.694 2.063 4.346 . 0 0 "[ . 1 . 2 . 3 .]" 1
811 1 54 ARG QB 1 55 SER H 4.610 . 5.110 3.333 2.019 4.016 . 0 0 "[ . 1 . 2 . 3 .]" 1
812 1 54 ARG HB2 1 55 SER H 4.690 . 5.190 3.724 2.047 4.462 . 0 0 "[ . 1 . 2 . 3 .]" 1
813 1 54 ARG HB3 1 55 SER H 4.690 . 5.190 3.984 2.198 4.556 . 0 0 "[ . 1 . 2 . 3 .]" 1
814 1 55 SER H 1 55 SER HB2 4.190 . 4.690 3.188 2.488 4.008 . 0 0 "[ . 1 . 2 . 3 .]" 1
815 1 55 SER H 1 55 SER HB3 4.190 . 4.690 3.486 2.518 4.113 . 0 0 "[ . 1 . 2 . 3 .]" 1
816 1 55 SER H 1 56 GLN H 3.860 . 4.360 3.053 2.208 4.028 . 0 0 "[ . 1 . 2 . 3 .]" 1
817 1 55 SER QB 1 56 GLN H 4.990 . 5.490 3.135 2.313 3.957 . 0 0 "[ . 1 . 2 . 3 .]" 1
818 1 55 SER HB2 1 56 GLN H 5.220 . 5.720 3.621 2.665 4.473 . 0 0 "[ . 1 . 2 . 3 .]" 1
819 1 55 SER HB3 1 56 GLN H 5.220 . 5.720 3.768 2.335 4.528 . 0 0 "[ . 1 . 2 . 3 .]" 1
820 1 56 GLN H 1 56 GLN HB2 3.670 . 4.170 2.810 2.271 3.811 . 0 0 "[ . 1 . 2 . 3 .]" 1
821 1 56 GLN H 1 56 GLN HB3 3.670 . 4.170 3.322 2.404 3.743 . 0 0 "[ . 1 . 2 . 3 .]" 1
822 1 56 GLN H 1 56 GLN QG 4.410 . 4.910 2.782 2.120 3.977 . 0 0 "[ . 1 . 2 . 3 .]" 1
823 1 56 GLN H 1 57 PRO QD 5.860 . 6.360 4.438 3.954 4.527 . 0 0 "[ . 1 . 2 . 3 .]" 1
824 1 56 GLN HA 1 57 PRO HD2 3.440 . 3.940 2.702 2.298 3.282 . 0 0 "[ . 1 . 2 . 3 .]" 1
825 1 56 GLN HA 1 57 PRO HD3 3.440 . 3.940 2.242 2.021 2.594 . 0 0 "[ . 1 . 2 . 3 .]" 1
826 1 56 GLN QB 1 57 PRO QD 4.400 . 4.900 2.418 2.083 3.507 . 0 0 "[ . 1 . 2 . 3 .]" 1
827 1 56 GLN HB2 1 57 PRO HD2 4.770 . 5.270 3.536 2.161 4.794 . 0 0 "[ . 1 . 2 . 3 .]" 1
828 1 56 GLN HB2 1 57 PRO HD3 4.770 . 5.270 4.284 2.641 4.876 . 0 0 "[ . 1 . 2 . 3 .]" 1
829 1 56 GLN HB3 1 57 PRO HD2 4.770 . 5.270 2.964 2.112 4.237 . 0 0 "[ . 1 . 2 . 3 .]" 1
830 1 56 GLN HB3 1 57 PRO HD3 4.770 . 5.270 3.816 2.905 4.853 . 0 0 "[ . 1 . 2 . 3 .]" 1
831 1 56 GLN QG 1 57 PRO HD2 5.460 . 5.960 3.764 2.082 4.564 . 0 0 "[ . 1 . 2 . 3 .]" 1
832 1 56 GLN QG 1 57 PRO QD 5.170 . 5.670 3.507 2.062 4.105 . 0 0 "[ . 1 . 2 . 3 .]" 1
833 1 56 GLN QG 1 57 PRO HD3 5.460 . 5.960 4.302 3.336 4.876 . 0 0 "[ . 1 . 2 . 3 .]" 1
834 1 57 PRO HA 1 58 GLY H 3.220 . 3.720 2.432 2.150 3.299 . 0 0 "[ . 1 . 2 . 3 .]" 1
835 1 57 PRO HA 1 59 GLN H 4.190 . 4.690 3.483 3.044 4.274 . 0 0 "[ . 1 . 2 . 3 .]" 1
836 1 57 PRO QB 1 58 GLY H 4.510 . 5.010 2.923 2.235 3.863 . 0 0 "[ . 1 . 2 . 3 .]" 1
837 1 58 GLY H 1 59 GLN H 4.130 . 4.630 2.373 1.950 3.404 . 0 0 "[ . 1 . 2 . 3 .]" 1
838 1 58 GLY H 1 59 GLN HA 4.890 . 5.390 4.888 4.149 5.026 . 0 0 "[ . 1 . 2 . 3 .]" 1
839 1 58 GLY H 1 59 GLN QB 5.230 . 5.730 4.395 3.812 4.766 . 0 0 "[ . 1 . 2 . 3 .]" 1
840 1 59 GLN H 1 59 GLN HB2 3.800 . 4.300 2.878 2.336 3.883 . 0 0 "[ . 1 . 2 . 3 .]" 1
841 1 59 GLN H 1 59 GLN QB 3.590 . 4.090 2.549 2.152 3.249 . 0 0 "[ . 1 . 2 . 3 .]" 1
842 1 59 GLN H 1 59 GLN HB3 3.800 . 4.300 3.273 2.284 3.916 . 0 0 "[ . 1 . 2 . 3 .]" 1
843 1 59 GLN H 1 59 GLN QG 4.650 . 5.150 2.977 2.037 4.121 . 0 0 "[ . 1 . 2 . 3 .]" 1
844 1 59 GLN H 1 60 ASP H 4.650 . 5.150 4.211 2.462 4.668 . 0 0 "[ . 1 . 2 . 3 .]" 1
845 1 59 GLN HA 1 60 ASP H 3.450 . 3.950 2.557 2.116 3.529 . 0 0 "[ . 1 . 2 . 3 .]" 1
846 1 59 GLN QB 1 60 ASP H 4.960 . 5.460 2.924 1.925 3.949 . 0 0 "[ . 1 . 2 . 3 .]" 1
847 1 59 GLN QG 1 60 ASP H 4.830 . 5.330 3.766 2.260 4.370 . 0 0 "[ . 1 . 2 . 3 .]" 1
848 1 61 SER H 1 61 SER HB2 3.900 . 4.400 2.917 2.422 3.647 . 0 0 "[ . 1 . 2 . 3 .]" 1
849 1 61 SER H 1 61 SER HB3 3.900 . 4.400 3.189 2.510 3.720 . 0 0 "[ . 1 . 2 . 3 .]" 1
850 1 61 SER HA 1 62 ARG H 3.540 . 4.040 3.426 3.153 3.551 . 0 0 "[ . 1 . 2 . 3 .]" 1
851 1 61 SER HA 1 63 PHE H 5.120 . 5.620 4.117 3.406 5.184 . 0 0 "[ . 1 . 2 . 3 .]" 1
852 1 62 ARG H 1 62 ARG HB2 3.810 . 4.310 2.937 2.275 3.892 . 0 0 "[ . 1 . 2 . 3 .]" 1
853 1 62 ARG H 1 62 ARG QB 3.640 . 4.140 2.543 2.249 3.399 . 0 0 "[ . 1 . 2 . 3 .]" 1
854 1 62 ARG H 1 62 ARG HB3 3.810 . 4.310 3.329 2.379 3.981 . 0 0 "[ . 1 . 2 . 3 .]" 1
855 1 62 ARG H 1 62 ARG HG2 3.980 . 4.480 3.145 2.117 3.981 . 0 0 "[ . 1 . 2 . 3 .]" 1
856 1 62 ARG H 1 62 ARG QG 3.890 . 4.390 2.399 2.084 2.994 . 0 0 "[ . 1 . 2 . 3 .]" 1
857 1 62 ARG H 1 62 ARG HG3 3.980 . 4.480 2.896 2.115 3.998 . 0 0 "[ . 1 . 2 . 3 .]" 1
858 1 62 ARG H 1 63 PHE H 3.440 . 3.940 2.658 1.897 3.445 . 0 0 "[ . 1 . 2 . 3 .]" 1
859 1 62 ARG H 1 63 PHE QD 5.400 . 5.900 4.150 3.538 4.887 . 0 0 "[ . 1 . 2 . 3 .]" 1
860 1 62 ARG HA 1 79 VAL CB 5.750 . 6.250 3.550 3.147 4.177 . 0 0 "[ . 1 . 2 . 3 .]" 1
861 1 62 ARG HA 1 79 VAL H 4.470 . 4.970 3.395 2.881 3.730 . 0 0 "[ . 1 . 2 . 3 .]" 1
862 1 62 ARG HA 1 79 VAL HB 4.410 . 4.910 2.632 2.185 4.500 . 0 0 "[ . 1 . 2 . 3 .]" 1
863 1 62 ARG HA 1 79 VAL MG1 5.690 . 6.190 3.808 2.049 4.445 . 0 0 "[ . 1 . 2 . 3 .]" 1
864 1 62 ARG HA 1 79 VAL MG2 5.690 . 6.190 3.470 1.958 4.738 . 0 0 "[ . 1 . 2 . 3 .]" 1
865 1 62 ARG QB 1 63 PHE H 4.290 . 4.790 3.019 2.360 3.830 . 0 0 "[ . 1 . 2 . 3 .]" 1
866 1 62 ARG QB 1 63 PHE HA 5.990 . 6.490 4.206 3.531 4.796 . 0 0 "[ . 1 . 2 . 3 .]" 1
867 1 62 ARG QB 1 78 VAL CB 7.190 . 7.690 4.835 3.759 5.646 . 0 0 "[ . 1 . 2 . 3 .]" 1
868 1 62 ARG QB 1 79 VAL H 4.460 . 4.960 3.238 2.712 3.951 . 0 0 "[ . 1 . 2 . 3 .]" 1
869 1 62 ARG HB2 1 63 PHE H 4.420 . 4.920 3.220 2.411 4.367 . 0 0 "[ . 1 . 2 . 3 .]" 1
870 1 62 ARG HB3 1 63 PHE H 4.420 . 4.920 3.860 3.225 4.329 . 0 0 "[ . 1 . 2 . 3 .]" 1
871 1 62 ARG QD 1 63 PHE H 5.610 . 6.110 4.866 4.359 5.122 . 0 0 "[ . 1 . 2 . 3 .]" 1
872 1 62 ARG QG 1 63 PHE H 5.130 . 5.630 3.722 2.551 4.494 . 0 0 "[ . 1 . 2 . 3 .]" 1
873 1 62 ARG QG 1 79 VAL H 5.990 . 6.490 4.460 3.502 5.359 . 0 0 "[ . 1 . 2 . 3 .]" 1
874 1 63 PHE H 1 63 PHE HB2 3.880 . 4.380 2.500 2.414 2.610 . 0 0 "[ . 1 . 2 . 3 .]" 1
875 1 63 PHE H 1 63 PHE QB 3.520 . 4.020 2.459 2.380 2.554 . 0 0 "[ . 1 . 2 . 3 .]" 1
876 1 63 PHE H 1 63 PHE HB3 3.880 . 4.380 3.644 3.592 3.725 . 0 0 "[ . 1 . 2 . 3 .]" 1
877 1 63 PHE H 1 63 PHE QD 3.970 . 4.470 2.733 2.224 3.385 . 0 0 "[ . 1 . 2 . 3 .]" 1
878 1 63 PHE HA 1 78 VAL HA 4.020 . 4.520 2.771 2.340 3.035 . 0 0 "[ . 1 . 2 . 3 .]" 1
879 1 63 PHE HA 1 79 VAL H 4.470 . 4.970 3.672 3.462 3.917 . 0 0 "[ . 1 . 2 . 3 .]" 1
880 1 63 PHE QD 1 78 VAL CB 6.470 . 6.970 4.107 3.562 4.438 . 0 0 "[ . 1 . 2 . 3 .]" 1
881 1 63 PHE QD 1 78 VAL HA 4.640 . 5.140 3.398 2.580 3.979 . 0 0 "[ . 1 . 2 . 3 .]" 1
882 1 63 PHE QD 1 78 VAL MG1 6.160 . 6.660 3.390 2.622 3.744 . 0 0 "[ . 1 . 2 . 3 .]" 1
883 1 63 PHE QD 1 78 VAL MG2 6.160 . 6.660 2.315 2.185 2.650 . 0 0 "[ . 1 . 2 . 3 .]" 1
884 1 64 ARG H 1 64 ARG HB2 4.000 . 4.500 2.877 2.576 3.349 . 0 0 "[ . 1 . 2 . 3 .]" 1
885 1 64 ARG H 1 64 ARG HB3 4.000 . 4.500 3.438 2.387 3.933 . 0 0 "[ . 1 . 2 . 3 .]" 1
886 1 64 ARG H 1 65 VAL H 4.700 . 5.200 4.443 4.377 4.483 . 0 0 "[ . 1 . 2 . 3 .]" 1
887 1 64 ARG H 1 76 MET HA 5.150 . 5.650 4.692 4.544 4.896 . 0 0 "[ . 1 . 2 . 3 .]" 1
888 1 64 ARG H 1 77 SER H 3.950 . 4.450 3.042 2.822 3.268 . 0 0 "[ . 1 . 2 . 3 .]" 1
889 1 64 ARG H 1 77 SER O 2.000 . 2.500 1.990 1.865 2.054 . 0 0 "[ . 1 . 2 . 3 .]" 1
890 1 64 ARG H 1 78 VAL HA 5.400 . 5.900 3.954 3.682 4.149 . 0 0 "[ . 1 . 2 . 3 .]" 1
891 1 64 ARG HA 1 64 ARG QD 4.560 . 5.060 3.878 2.200 4.137 . 0 0 "[ . 1 . 2 . 3 .]" 1
892 1 64 ARG HA 1 65 VAL CB 6.720 . 7.220 4.759 4.636 4.849 . 0 0 "[ . 1 . 2 . 3 .]" 1
893 1 64 ARG HA 1 65 VAL H 2.830 . 3.330 2.238 2.167 2.307 . 0 0 "[ . 1 . 2 . 3 .]" 1
894 1 64 ARG QB 1 65 VAL H 4.280 . 4.780 3.057 2.464 3.742 . 0 0 "[ . 1 . 2 . 3 .]" 1
895 1 64 ARG HB2 1 65 VAL H 4.620 . 5.120 3.964 3.485 4.319 . 0 0 "[ . 1 . 2 . 3 .]" 1
896 1 64 ARG HB3 1 65 VAL H 4.620 . 5.120 3.237 2.519 4.277 . 0 0 "[ . 1 . 2 . 3 .]" 1
897 1 64 ARG QG 1 65 VAL H 4.820 . 5.320 3.473 2.143 4.388 . 0 0 "[ . 1 . 2 . 3 .]" 1
898 1 64 ARG N 1 77 SER O 3.000 2.700 3.500 2.938 2.802 3.033 . 0 0 "[ . 1 . 2 . 3 .]" 1
899 1 64 ARG O 1 77 SER H 2.000 . 2.500 1.871 1.807 2.003 . 0 0 "[ . 1 . 2 . 3 .]" 1
900 1 64 ARG O 1 77 SER N 3.000 2.700 3.500 2.863 2.809 3.001 . 0 0 "[ . 1 . 2 . 3 .]" 1
901 1 65 VAL CB 1 66 THR H 5.890 . 6.390 3.519 3.350 3.636 . 0 0 "[ . 1 . 2 . 3 .]" 1
902 1 65 VAL CB 1 74 PHE QB 6.970 . 7.470 4.811 4.403 5.369 . 0 0 "[ . 1 . 2 . 3 .]" 1
903 1 65 VAL CB 1 74 PHE QD 6.900 . 7.400 4.721 3.661 6.137 . 0 0 "[ . 1 . 2 . 3 .]" 1
904 1 65 VAL CB 1 75 HIS H 6.950 . 7.450 5.986 5.656 6.286 . 0 0 "[ . 1 . 2 . 3 .]" 1
905 1 65 VAL CB 1 76 MET HA 6.180 . 6.680 4.284 3.811 4.702 . 0 0 "[ . 1 . 2 . 3 .]" 1
906 1 65 VAL CB 1 76 MET ME 6.440 . 6.940 3.759 3.367 5.371 . 0 0 "[ . 1 . 2 . 3 .]" 1
907 1 65 VAL CB 1 76 MET QG 6.160 . 6.660 4.006 3.292 5.444 . 0 0 "[ . 1 . 2 . 3 .]" 1
908 1 65 VAL CB 1 77 SER H 6.920 . 7.420 5.385 4.936 5.700 . 0 0 "[ . 1 . 2 . 3 .]" 1
909 1 65 VAL H 1 65 VAL HB 3.790 . 4.290 2.825 2.530 3.811 . 0 0 "[ . 1 . 2 . 3 .]" 1
910 1 65 VAL H 1 66 THR H 5.070 . 5.570 4.332 4.220 4.447 . 0 0 "[ . 1 . 2 . 3 .]" 1
911 1 65 VAL HA 1 66 THR H 3.020 . 3.520 2.174 2.126 2.224 . 0 0 "[ . 1 . 2 . 3 .]" 1
912 1 65 VAL HA 1 76 MET HA 3.760 . 4.260 2.604 2.411 2.855 . 0 0 "[ . 1 . 2 . 3 .]" 1
913 1 65 VAL HA 1 76 MET ME 6.610 . 7.110 4.197 3.849 4.952 . 0 0 "[ . 1 . 2 . 3 .]" 1
914 1 65 VAL HA 1 76 MET QG 4.890 . 5.390 3.501 2.485 4.391 . 0 0 "[ . 1 . 2 . 3 .]" 1
915 1 65 VAL HA 1 77 SER H 4.170 . 4.670 3.580 3.199 3.832 . 0 0 "[ . 1 . 2 . 3 .]" 1
916 1 65 VAL HB 1 66 THR H 4.490 . 4.990 4.137 3.066 4.328 . 0 0 "[ . 1 . 2 . 3 .]" 1
917 1 65 VAL MG1 1 76 MET HA 6.610 . 7.110 3.644 2.353 4.200 . 0 0 "[ . 1 . 2 . 3 .]" 1
918 1 65 VAL MG1 1 76 MET ME 5.990 . 6.490 2.293 2.013 3.602 . 0 0 "[ . 1 . 2 . 3 .]" 1
919 1 65 VAL MG1 1 76 MET HG2 6.870 . 7.370 3.768 2.223 5.045 . 0 0 "[ . 1 . 2 . 3 .]" 1
920 1 65 VAL MG1 1 76 MET HG3 6.870 . 7.370 3.344 1.974 4.770 . 0 0 "[ . 1 . 2 . 3 .]" 1
921 1 65 VAL MG2 1 76 MET HA 6.610 . 7.110 3.198 2.572 4.786 . 0 0 "[ . 1 . 2 . 3 .]" 1
922 1 65 VAL MG2 1 76 MET ME 5.990 . 6.490 2.672 2.170 4.107 . 0 0 "[ . 1 . 2 . 3 .]" 1
923 1 65 VAL MG2 1 76 MET HG2 6.870 . 7.370 3.475 2.175 5.772 . 0 0 "[ . 1 . 2 . 3 .]" 1
924 1 65 VAL MG2 1 76 MET HG3 6.870 . 7.370 2.954 2.065 4.757 . 0 0 "[ . 1 . 2 . 3 .]" 1
925 1 66 THR H 1 66 THR HB 3.800 . 4.300 2.647 2.560 2.790 . 0 0 "[ . 1 . 2 . 3 .]" 1
926 1 66 THR H 1 75 HIS H 3.690 . 4.190 3.081 2.936 3.231 . 0 0 "[ . 1 . 2 . 3 .]" 1
927 1 66 THR H 1 75 HIS HB2 4.660 . 5.160 3.738 3.452 4.659 . 0 0 "[ . 1 . 2 . 3 .]" 1
928 1 66 THR H 1 75 HIS QB 4.590 . 5.090 3.510 2.998 3.762 . 0 0 "[ . 1 . 2 . 3 .]" 1
929 1 66 THR H 1 75 HIS HB3 4.660 . 5.160 4.368 3.035 4.676 . 0 0 "[ . 1 . 2 . 3 .]" 1
930 1 66 THR H 1 75 HIS O 2.000 . 2.500 1.909 1.816 1.999 . 0 0 "[ . 1 . 2 . 3 .]" 1
931 1 66 THR H 1 76 MET HA 4.320 . 4.820 3.794 3.307 4.022 . 0 0 "[ . 1 . 2 . 3 .]" 1
932 1 66 THR HB 1 67 GLN H 4.250 . 4.750 4.182 3.915 4.263 . 0 0 "[ . 1 . 2 . 3 .]" 1
933 1 66 THR HB 1 68 LEU CG 6.840 . 7.340 5.916 4.734 6.456 . 0 0 "[ . 1 . 2 . 3 .]" 1
934 1 66 THR HB 1 75 HIS H 4.350 . 4.850 3.351 2.433 3.792 . 0 0 "[ . 1 . 2 . 3 .]" 1
935 1 66 THR HB 1 75 HIS HB2 4.200 . 4.700 2.584 2.148 3.722 . 0 0 "[ . 1 . 2 . 3 .]" 1
936 1 66 THR HB 1 75 HIS QB 4.070 . 4.570 2.497 2.122 2.885 . 0 0 "[ . 1 . 2 . 3 .]" 1
937 1 66 THR HB 1 75 HIS HB3 4.200 . 4.700 3.697 2.134 4.137 . 0 0 "[ . 1 . 2 . 3 .]" 1
938 1 66 THR MG 1 67 GLN H 4.430 . 4.930 2.695 2.532 2.829 . 0 0 "[ . 1 . 2 . 3 .]" 1
939 1 66 THR MG 1 68 LEU CG 6.870 . 7.370 4.917 4.350 5.721 . 0 0 "[ . 1 . 2 . 3 .]" 1
940 1 66 THR MG 1 75 HIS H 6.610 . 7.110 4.136 3.891 4.410 . 0 0 "[ . 1 . 2 . 3 .]" 1
941 1 66 THR MG 1 75 HIS QB 6.900 . 7.400 3.572 3.080 3.946 . 0 0 "[ . 1 . 2 . 3 .]" 1
942 1 66 THR N 1 75 HIS O 3.000 2.700 3.500 2.905 2.802 2.987 . 0 0 "[ . 1 . 2 . 3 .]" 1
943 1 66 THR O 1 75 HIS H 2.000 . 2.500 1.889 1.821 2.008 . 0 0 "[ . 1 . 2 . 3 .]" 1
944 1 66 THR O 1 75 HIS N 3.000 2.700 3.500 2.889 2.828 2.985 . 0 0 "[ . 1 . 2 . 3 .]" 1
945 1 67 GLN H 1 67 GLN HB2 4.130 . 4.630 2.942 2.420 3.771 . 0 0 "[ . 1 . 2 . 3 .]" 1
946 1 67 GLN H 1 67 GLN HB3 4.130 . 4.630 2.572 2.226 3.606 . 0 0 "[ . 1 . 2 . 3 .]" 1
947 1 67 GLN H 1 67 GLN QG 4.850 . 5.350 3.557 2.128 4.048 . 0 0 "[ . 1 . 2 . 3 .]" 1
948 1 67 GLN H 1 74 PHE QD 5.570 . 6.070 3.938 3.720 4.973 . 0 0 "[ . 1 . 2 . 3 .]" 1
949 1 67 GLN HA 1 68 LEU CG 6.490 . 6.990 4.617 4.352 4.884 . 0 0 "[ . 1 . 2 . 3 .]" 1
950 1 67 GLN HA 1 68 LEU H 3.070 . 3.570 2.211 2.137 2.250 . 0 0 "[ . 1 . 2 . 3 .]" 1
951 1 67 GLN HA 1 68 LEU HG 5.040 . 5.540 3.899 3.513 5.071 . 0 0 "[ . 1 . 2 . 3 .]" 1
952 1 67 GLN HA 1 74 PHE HA 3.910 . 4.410 2.633 2.340 3.137 . 0 0 "[ . 1 . 2 . 3 .]" 1
953 1 67 GLN HA 1 74 PHE QD 4.800 . 5.300 2.716 2.326 3.123 . 0 0 "[ . 1 . 2 . 3 .]" 1
954 1 67 GLN HA 1 75 HIS H 4.530 . 5.030 3.853 3.556 4.262 . 0 0 "[ . 1 . 2 . 3 .]" 1
955 1 67 GLN HB2 1 68 LEU H 4.710 . 5.210 3.878 2.829 4.510 . 0 0 "[ . 1 . 2 . 3 .]" 1
956 1 67 GLN HB3 1 68 LEU H 4.710 . 5.210 4.096 3.041 4.472 . 0 0 "[ . 1 . 2 . 3 .]" 1
957 1 67 GLN QG 1 68 LEU CG 8.130 . 8.630 5.593 5.035 6.987 . 0 0 "[ . 1 . 2 . 3 .]" 1
958 1 68 LEU CG 1 73 ASP HB2 5.980 . 6.480 5.078 3.715 5.592 . 0 0 "[ . 1 . 2 . 3 .]" 1
959 1 68 LEU CG 1 73 ASP HB3 5.840 . 6.340 3.535 2.803 3.947 . 0 0 "[ . 1 . 2 . 3 .]" 1
960 1 68 LEU CG 1 75 HIS QB 6.810 . 7.310 4.615 3.353 5.070 . 0 0 "[ . 1 . 2 . 3 .]" 1
961 1 68 LEU H 1 68 LEU QB 3.590 . 4.090 2.444 2.135 2.532 . 0 0 "[ . 1 . 2 . 3 .]" 1
962 1 68 LEU H 1 68 LEU MD1 4.840 . 5.340 3.893 3.651 4.067 . 0 0 "[ . 1 . 2 . 3 .]" 1
963 1 68 LEU H 1 68 LEU MD2 4.840 . 5.340 3.196 2.330 3.781 . 0 0 "[ . 1 . 2 . 3 .]" 1
964 1 68 LEU H 1 68 LEU HG 4.910 . 5.410 2.555 2.354 3.717 . 0 0 "[ . 1 . 2 . 3 .]" 1
965 1 68 LEU H 1 74 PHE HA 3.780 . 4.280 2.955 2.626 3.242 . 0 0 "[ . 1 . 2 . 3 .]" 1
966 1 68 LEU H 1 74 PHE QD 5.200 . 5.700 4.317 3.725 4.644 . 0 0 "[ . 1 . 2 . 3 .]" 1
967 1 68 LEU HA 1 68 LEU HG 4.190 . 4.690 3.370 3.054 3.815 . 0 0 "[ . 1 . 2 . 3 .]" 1
968 1 68 LEU HA 1 69 PRO QD 3.860 . 4.360 2.193 2.076 2.236 . 0 0 "[ . 1 . 2 . 3 .]" 1
969 1 68 LEU QB 1 69 PRO QD 4.760 . 5.260 2.114 2.069 2.216 . 0 0 "[ . 1 . 2 . 3 .]" 1
970 1 68 LEU QB 1 70 ASN H 4.310 . 4.810 2.438 2.313 2.567 . 0 0 "[ . 1 . 2 . 3 .]" 1
971 1 68 LEU QB 1 71 GLY H 4.510 . 5.010 3.688 2.962 4.029 . 0 0 "[ . 1 . 2 . 3 .]" 1
972 1 68 LEU QB 1 73 ASP H 5.040 . 5.540 4.043 3.464 4.351 . 0 0 "[ . 1 . 2 . 3 .]" 1
973 1 68 LEU QB 1 73 ASP HB2 5.080 . 5.580 3.550 2.248 3.854 . 0 0 "[ . 1 . 2 . 3 .]" 1
974 1 68 LEU QB 1 73 ASP HB3 4.780 . 5.280 2.371 2.161 2.924 . 0 0 "[ . 1 . 2 . 3 .]" 1
975 1 68 LEU MD1 1 69 PRO QD 5.760 . 6.260 3.610 2.285 3.941 . 0 0 "[ . 1 . 2 . 3 .]" 1
976 1 68 LEU MD1 1 73 ASP HB3 5.560 . 6.060 2.467 2.127 4.480 . 0 0 "[ . 1 . 2 . 3 .]" 1
977 1 68 LEU MD1 1 74 PHE HA 5.500 . 6.000 3.915 3.264 4.675 . 0 0 "[ . 1 . 2 . 3 .]" 1
978 1 68 LEU MD1 1 75 HIS H 5.670 . 6.170 4.282 3.604 4.735 . 0 0 "[ . 1 . 2 . 3 .]" 1
979 1 68 LEU MD2 1 69 PRO QD 5.760 . 6.260 2.960 2.574 3.770 . 0 0 "[ . 1 . 2 . 3 .]" 1
980 1 68 LEU MD2 1 73 ASP HB3 5.560 . 6.060 4.543 3.673 4.671 . 0 0 "[ . 1 . 2 . 3 .]" 1
981 1 68 LEU MD2 1 74 PHE HA 5.500 . 6.000 3.496 1.970 4.260 . 0 0 "[ . 1 . 2 . 3 .]" 1
982 1 68 LEU MD2 1 75 HIS H 5.670 . 6.170 3.261 2.426 3.774 . 0 0 "[ . 1 . 2 . 3 .]" 1
983 1 68 LEU HG 1 69 PRO QD 5.130 . 5.630 4.505 4.113 4.589 . 0 0 "[ . 1 . 2 . 3 .]" 1
984 1 68 LEU HG 1 70 ASN H 5.020 . 5.520 5.071 5.024 5.155 . 0 0 "[ . 1 . 2 . 3 .]" 1
985 1 68 LEU HG 1 73 ASP HB3 4.570 . 5.070 3.326 2.265 4.037 . 0 0 "[ . 1 . 2 . 3 .]" 1
986 1 68 LEU HG 1 74 PHE H 4.750 . 5.250 3.889 3.450 4.507 . 0 0 "[ . 1 . 2 . 3 .]" 1
987 1 68 LEU HG 1 74 PHE HA 4.540 . 5.040 2.652 2.208 3.826 . 0 0 "[ . 1 . 2 . 3 .]" 1
988 1 68 LEU HG 1 75 HIS H 5.500 . 6.000 3.555 3.009 4.699 . 0 0 "[ . 1 . 2 . 3 .]" 1
989 1 69 PRO HA 1 71 GLY H 4.090 . 4.590 3.509 3.308 3.880 . 0 0 "[ . 1 . 2 . 3 .]" 1
990 1 69 PRO QB 1 70 ASN H 4.290 . 4.790 3.686 2.953 3.834 . 0 0 "[ . 1 . 2 . 3 .]" 1
991 1 69 PRO QD 1 70 ASN H 4.680 . 5.180 3.091 2.766 3.328 . 0 0 "[ . 1 . 2 . 3 .]" 1
992 1 69 PRO QG 1 70 ASN H 4.460 . 4.960 3.261 2.836 4.073 . 0 0 "[ . 1 . 2 . 3 .]" 1
993 1 70 ASN H 1 70 ASN HB2 4.150 . 4.650 2.481 2.166 3.651 . 0 0 "[ . 1 . 2 . 3 .]" 1
994 1 70 ASN H 1 70 ASN HB3 4.150 . 4.650 2.885 2.312 3.594 . 0 0 "[ . 1 . 2 . 3 .]" 1
995 1 70 ASN H 1 70 ASN QD 5.210 . 5.710 4.226 3.049 4.653 . 0 0 "[ . 1 . 2 . 3 .]" 1
996 1 70 ASN H 1 71 GLY H 3.630 . 4.130 2.654 2.474 2.842 . 0 0 "[ . 1 . 2 . 3 .]" 1
997 1 71 GLY H 1 72 ARG H 3.650 . 4.150 3.103 2.477 3.402 . 0 0 "[ . 1 . 2 . 3 .]" 1
998 1 71 GLY H 1 73 ASP H 4.600 . 5.100 4.231 3.996 4.470 . 0 0 "[ . 1 . 2 . 3 .]" 1
999 1 71 GLY H 1 73 ASP HB2 4.860 . 5.360 4.761 3.529 4.959 . 0 0 "[ . 1 . 2 . 3 .]" 1
1000 1 72 ARG H 1 72 ARG HG2 4.520 . 5.020 3.445 2.617 4.576 . 0 0 "[ . 1 . 2 . 3 .]" 1
1001 1 72 ARG H 1 72 ARG QG 4.150 . 4.650 2.918 2.387 3.717 . 0 0 "[ . 1 . 2 . 3 .]" 1
1002 1 72 ARG H 1 72 ARG HG3 4.520 . 5.020 3.361 2.521 4.530 . 0 0 "[ . 1 . 2 . 3 .]" 1
1003 1 72 ARG H 1 73 ASP H 3.450 . 3.950 3.148 2.916 3.444 . 0 0 "[ . 1 . 2 . 3 .]" 1
1004 1 72 ARG H 1 73 ASP HB3 5.040 . 5.540 4.497 3.949 5.418 . 0 0 "[ . 1 . 2 . 3 .]" 1
1005 1 72 ARG QB 1 73 ASP H 4.610 . 5.110 3.856 3.794 3.912 . 0 0 "[ . 1 . 2 . 3 .]" 1
1006 1 72 ARG QG 1 73 ASP H 5.250 . 5.750 4.486 4.343 4.761 . 0 0 "[ . 1 . 2 . 3 .]" 1
1007 1 73 ASP H 1 73 ASP HB2 3.780 . 4.280 3.196 2.579 3.434 . 0 0 "[ . 1 . 2 . 3 .]" 1
1008 1 73 ASP H 1 73 ASP HB3 3.580 . 4.080 3.374 3.041 3.856 . 0 0 "[ . 1 . 2 . 3 .]" 1
1009 1 73 ASP H 1 74 PHE H 4.720 . 5.220 4.157 4.062 4.326 . 0 0 "[ . 1 . 2 . 3 .]" 1
1010 1 73 ASP HA 1 74 PHE H 3.270 . 3.770 2.230 2.158 2.307 . 0 0 "[ . 1 . 2 . 3 .]" 1
1011 1 73 ASP HB2 1 74 PHE H 4.190 . 4.690 4.259 4.125 4.296 . 0 0 "[ . 1 . 2 . 3 .]" 1
1012 1 73 ASP HB3 1 74 PHE H 4.300 . 4.800 3.583 2.970 3.912 . 0 0 "[ . 1 . 2 . 3 .]" 1
1013 1 74 PHE H 1 74 PHE QD 4.700 . 5.200 2.961 2.722 3.354 . 0 0 "[ . 1 . 2 . 3 .]" 1
1014 1 74 PHE HA 1 75 HIS H 3.110 . 3.610 2.170 2.093 2.251 . 0 0 "[ . 1 . 2 . 3 .]" 1
1015 1 74 PHE QB 1 75 HIS H 4.710 . 5.210 2.782 2.540 3.115 . 0 0 "[ . 1 . 2 . 3 .]" 1
1016 1 74 PHE QB 1 76 MET ME 5.080 . 5.580 2.616 2.028 3.263 . 0 0 "[ . 1 . 2 . 3 .]" 1
1017 1 74 PHE HB2 1 76 MET ME 5.360 . 5.860 2.869 2.172 3.719 . 0 0 "[ . 1 . 2 . 3 .]" 1
1018 1 74 PHE HB3 1 76 MET ME 5.360 . 5.860 3.046 2.239 3.858 . 0 0 "[ . 1 . 2 . 3 .]" 1
1019 1 74 PHE QD 1 75 HIS H 5.070 . 5.570 3.932 3.465 4.429 . 0 0 "[ . 1 . 2 . 3 .]" 1
1020 1 75 HIS H 1 75 HIS HB2 3.920 . 4.420 2.435 2.330 2.700 . 0 0 "[ . 1 . 2 . 3 .]" 1
1021 1 75 HIS H 1 75 HIS QB 3.690 . 4.190 2.384 2.096 2.577 . 0 0 "[ . 1 . 2 . 3 .]" 1
1022 1 75 HIS H 1 75 HIS HB3 3.920 . 4.420 3.577 2.183 3.752 . 0 0 "[ . 1 . 2 . 3 .]" 1
1023 1 75 HIS HA 1 76 MET H 3.120 . 3.620 2.125 2.063 2.242 . 0 0 "[ . 1 . 2 . 3 .]" 1
1024 1 75 HIS HA 1 76 MET ME 6.610 . 7.110 5.211 2.953 5.528 . 0 0 "[ . 1 . 2 . 3 .]" 1
1025 1 75 HIS QB 1 76 MET H 4.800 . 5.300 3.198 2.812 3.970 . 0 0 "[ . 1 . 2 . 3 .]" 1
1026 1 76 MET H 1 76 MET QG 4.740 . 5.240 3.472 2.585 3.948 . 0 0 "[ . 1 . 2 . 3 .]" 1
1027 1 76 MET HA 1 76 MET ME 5.580 . 6.080 4.156 3.695 4.525 . 0 0 "[ . 1 . 2 . 3 .]" 1
1028 1 76 MET HA 1 77 SER H 3.010 . 3.510 2.201 2.135 2.345 . 0 0 "[ . 1 . 2 . 3 .]" 1
1029 1 76 MET QG 1 77 SER H 5.430 . 5.930 4.249 3.877 4.860 . 0 0 "[ . 1 . 2 . 3 .]" 1
1030 1 77 SER H 1 77 SER HB2 3.890 . 4.390 2.995 2.501 3.950 . 0 0 "[ . 1 . 2 . 3 .]" 1
1031 1 77 SER H 1 77 SER HB3 3.890 . 4.390 3.210 2.553 3.749 . 0 0 "[ . 1 . 2 . 3 .]" 1
1032 1 77 SER H 1 78 VAL CB 7.460 . 7.960 6.407 6.147 6.510 . 0 0 "[ . 1 . 2 . 3 .]" 1
1033 1 77 SER H 1 78 VAL H 4.620 . 5.120 4.464 4.397 4.547 . 0 0 "[ . 1 . 2 . 3 .]" 1
1034 1 77 SER HA 1 78 VAL H 2.980 . 3.480 2.144 2.101 2.221 . 0 0 "[ . 1 . 2 . 3 .]" 1
1035 1 77 SER QB 1 78 VAL H 4.600 . 5.100 3.296 2.566 3.813 . 0 0 "[ . 1 . 2 . 3 .]" 1
1036 1 78 VAL CB 1 79 VAL H 5.870 . 6.370 3.757 3.522 3.927 . 0 0 "[ . 1 . 2 . 3 .]" 1
1037 1 78 VAL CB 1 81 ALA H 6.190 . 6.690 5.270 4.836 5.790 . 0 0 "[ . 1 . 2 . 3 .]" 1
1038 1 78 VAL CB 1 81 ALA HA 5.660 . 6.160 4.610 4.123 5.207 . 0 0 "[ . 1 . 2 . 3 .]" 1
1039 1 78 VAL CB 1 81 ALA MB 5.950 . 6.450 3.384 3.056 3.841 . 0 0 "[ . 1 . 2 . 3 .]" 1
1040 1 78 VAL CB 1 82 ARG H 6.810 . 7.310 6.288 5.810 6.819 . 0 0 "[ . 1 . 2 . 3 .]" 1
1041 1 78 VAL CB 1 110 LEU MD2 6.680 . 7.180 3.767 3.412 4.265 . 0 0 "[ . 1 . 2 . 3 .]" 1
1042 1 78 VAL H 1 78 VAL HB 3.610 . 4.110 2.720 2.621 2.843 . 0 0 "[ . 1 . 2 . 3 .]" 1
1043 1 78 VAL HA 1 79 VAL H 3.040 . 3.540 2.184 2.126 2.286 . 0 0 "[ . 1 . 2 . 3 .]" 1
1044 1 78 VAL HB 1 81 ALA MB 5.100 . 5.600 2.712 2.372 3.199 . 0 0 "[ . 1 . 2 . 3 .]" 1
1045 1 78 VAL HB 1 110 LEU MD2 5.280 . 5.780 3.432 2.964 3.923 . 0 0 "[ . 1 . 2 . 3 .]" 1
1046 1 78 VAL MG1 1 79 VAL H 5.250 . 5.750 3.147 2.716 3.538 . 0 0 "[ . 1 . 2 . 3 .]" 1
1047 1 78 VAL MG1 1 81 ALA MB 6.040 . 6.540 2.483 2.233 2.766 . 0 0 "[ . 1 . 2 . 3 .]" 1
1048 1 78 VAL MG1 1 110 LEU MD2 6.890 . 7.390 3.138 2.661 3.826 . 0 0 "[ . 1 . 2 . 3 .]" 1
1049 1 78 VAL MG2 1 79 VAL H 5.250 . 5.750 4.346 4.218 4.416 . 0 0 "[ . 1 . 2 . 3 .]" 1
1050 1 78 VAL MG2 1 81 ALA MB 6.040 . 6.540 3.656 3.231 4.201 . 0 0 "[ . 1 . 2 . 3 .]" 1
1051 1 78 VAL MG2 1 110 LEU MD2 6.890 . 7.390 2.366 2.133 2.940 . 0 0 "[ . 1 . 2 . 3 .]" 1
1052 1 79 VAL CB 1 80 ARG H 5.830 . 6.330 3.537 3.262 3.734 . 0 0 "[ . 1 . 2 . 3 .]" 1
1053 1 79 VAL CB 1 80 ARG HA 6.810 . 7.310 5.444 5.185 5.617 . 0 0 "[ . 1 . 2 . 3 .]" 1
1054 1 79 VAL CB 1 80 ARG QB 6.770 . 7.270 4.206 3.800 4.827 . 0 0 "[ . 1 . 2 . 3 .]" 1
1055 1 79 VAL CB 1 80 ARG QD 6.780 . 7.280 5.703 3.961 6.141 . 0 0 "[ . 1 . 2 . 3 .]" 1
1056 1 79 VAL H 1 79 VAL HB 3.520 . 4.020 2.570 2.454 3.671 . 0 0 "[ . 1 . 2 . 3 .]" 1
1057 1 79 VAL H 1 80 ARG H 4.640 . 5.140 4.558 4.383 4.642 . 0 0 "[ . 1 . 2 . 3 .]" 1
1058 1 79 VAL HA 1 80 ARG H 2.970 . 3.470 2.147 2.106 2.190 . 0 0 "[ . 1 . 2 . 3 .]" 1
1059 1 79 VAL HB 1 80 ARG H 4.450 . 4.950 4.193 2.821 4.435 . 0 0 "[ . 1 . 2 . 3 .]" 1
1060 1 80 ARG H 1 81 ALA H 3.320 . 3.820 3.129 2.919 3.325 . 0 0 "[ . 1 . 2 . 3 .]" 1
1061 1 80 ARG H 1 81 ALA MB 5.520 . 6.020 4.459 4.231 4.603 . 0 0 "[ . 1 . 2 . 3 .]" 1
1062 1 80 ARG HA 1 81 ALA H 2.980 . 3.480 2.425 2.231 2.661 . 0 0 "[ . 1 . 2 . 3 .]" 1
1063 1 80 ARG HA 1 81 ALA HA 4.980 . 5.480 4.616 4.517 4.707 . 0 0 "[ . 1 . 2 . 3 .]" 1
1064 1 80 ARG QB 1 81 ALA H 4.910 . 5.410 4.010 3.853 4.108 . 0 0 "[ . 1 . 2 . 3 .]" 1
1065 1 80 ARG QG 1 81 ALA H 5.370 . 5.870 4.253 3.941 4.563 . 0 0 "[ . 1 . 2 . 3 .]" 1
1066 1 80 ARG QG 1 81 ALA MB 7.410 . 7.910 5.332 4.968 5.558 . 0 0 "[ . 1 . 2 . 3 .]" 1
1067 1 81 ALA H 1 82 ARG H 4.780 . 5.280 4.625 4.504 4.686 . 0 0 "[ . 1 . 2 . 3 .]" 1
1068 1 81 ALA HA 1 82 ARG H 2.990 . 3.490 2.184 2.122 2.261 . 0 0 "[ . 1 . 2 . 3 .]" 1
1069 1 81 ALA HA 1 82 ARG QD 5.030 . 5.530 3.880 2.512 4.558 . 0 0 "[ . 1 . 2 . 3 .]" 1
1070 1 81 ALA HA 1 110 LEU MD2 6.520 . 7.020 4.707 4.313 5.122 . 0 0 "[ . 1 . 2 . 3 .]" 1
1071 1 81 ALA HA 1 112 VAL MG2 6.610 . 7.110 3.891 3.694 4.109 . 0 0 "[ . 1 . 2 . 3 .]" 1
1072 1 81 ALA MB 1 82 ARG H 4.240 . 4.740 2.929 2.413 3.310 . 0 0 "[ . 1 . 2 . 3 .]" 1
1073 1 81 ALA MB 1 85 ASP H 5.680 . 6.180 4.713 4.578 4.770 . 0 0 "[ . 1 . 2 . 3 .]" 1
1074 1 81 ALA MB 1 85 ASP HB2 5.450 . 5.950 2.890 2.623 3.087 . 0 0 "[ . 1 . 2 . 3 .]" 1
1075 1 81 ALA MB 1 85 ASP HB3 5.450 . 5.950 3.675 3.390 3.973 . 0 0 "[ . 1 . 2 . 3 .]" 1
1076 1 81 ALA MB 1 110 LEU MD2 5.210 . 5.710 2.819 2.612 3.144 . 0 0 "[ . 1 . 2 . 3 .]" 1
1077 1 81 ALA MB 1 112 VAL MG1 5.000 . 5.500 2.968 2.734 3.355 . 0 0 "[ . 1 . 2 . 3 .]" 1
1078 1 81 ALA MB 1 112 VAL MG2 4.960 . 5.460 2.096 2.015 2.230 . 0 0 "[ . 1 . 2 . 3 .]" 1
1079 1 82 ARG H 1 82 ARG QD 4.990 . 5.490 3.236 2.307 4.312 . 0 0 "[ . 1 . 2 . 3 .]" 1
1080 1 82 ARG H 1 85 ASP H 4.360 . 4.860 3.525 3.224 3.729 . 0 0 "[ . 1 . 2 . 3 .]" 1
1081 1 82 ARG H 1 85 ASP HB2 4.350 . 4.850 2.984 2.397 3.242 . 0 0 "[ . 1 . 2 . 3 .]" 1
1082 1 82 ARG H 1 85 ASP QB 4.150 . 4.650 2.924 2.373 3.159 . 0 0 "[ . 1 . 2 . 3 .]" 1
1083 1 82 ARG H 1 85 ASP HB3 4.350 . 4.850 4.213 3.812 4.364 . 0 0 "[ . 1 . 2 . 3 .]" 1
1084 1 82 ARG H 1 112 VAL MG1 5.480 . 5.980 3.766 3.211 4.181 . 0 0 "[ . 1 . 2 . 3 .]" 1
1085 1 82 ARG H 1 112 VAL MG2 5.790 . 6.290 3.325 2.852 3.795 . 0 0 "[ . 1 . 2 . 3 .]" 1
1086 1 82 ARG HA 1 83 ARG H 3.070 . 3.570 2.433 2.359 2.527 . 0 0 "[ . 1 . 2 . 3 .]" 1
1087 1 82 ARG HA 1 112 VAL MG1 5.140 . 5.640 2.694 2.184 3.257 . 0 0 "[ . 1 . 2 . 3 .]" 1
1088 1 82 ARG QB 1 83 ARG H 4.000 . 4.500 2.562 2.296 2.934 . 0 0 "[ . 1 . 2 . 3 .]" 1
1089 1 82 ARG QB 1 84 ASN QB 5.140 . 5.640 3.065 2.326 4.082 . 0 0 "[ . 1 . 2 . 3 .]" 1
1090 1 82 ARG QB 1 85 ASP H 4.690 . 5.190 3.509 2.668 4.235 . 0 0 "[ . 1 . 2 . 3 .]" 1
1091 1 82 ARG O 1 85 ASP H 2.000 . 2.500 1.886 1.833 1.992 . 0 0 "[ . 1 . 2 . 3 .]" 1
1092 1 82 ARG O 1 85 ASP N 3.000 2.700 3.500 2.862 2.801 2.933 . 0 0 "[ . 1 . 2 . 3 .]" 1
1093 1 83 ARG H 1 83 ARG QD 5.040 . 5.540 4.014 2.604 4.376 . 0 0 "[ . 1 . 2 . 3 .]" 1
1094 1 83 ARG H 1 83 ARG QG 4.070 . 4.570 2.298 1.962 2.718 . 0 0 "[ . 1 . 2 . 3 .]" 1
1095 1 83 ARG H 1 84 ASN H 4.600 . 5.100 2.905 2.748 3.028 . 0 0 "[ . 1 . 2 . 3 .]" 1
1096 1 83 ARG H 1 112 VAL MG1 5.190 . 5.690 3.243 3.116 3.390 . 0 0 "[ . 1 . 2 . 3 .]" 1
1097 1 83 ARG HA 1 83 ARG QD 4.490 . 4.990 3.718 2.052 4.044 . 0 0 "[ . 1 . 2 . 3 .]" 1
1098 1 83 ARG HA 1 83 ARG HG2 4.160 . 4.660 2.471 2.266 3.044 . 0 0 "[ . 1 . 2 . 3 .]" 1
1099 1 83 ARG HA 1 83 ARG HG3 4.160 . 4.660 3.129 2.385 3.797 . 0 0 "[ . 1 . 2 . 3 .]" 1
1100 1 83 ARG HA 1 85 ASP H 4.220 . 4.720 3.817 3.525 4.049 . 0 0 "[ . 1 . 2 . 3 .]" 1
1101 1 83 ARG HA 1 86 SER H 4.340 . 4.840 3.687 3.348 4.005 . 0 0 "[ . 1 . 2 . 3 .]" 1
1102 1 83 ARG HA 1 112 VAL H 4.250 . 4.750 4.123 3.911 4.302 . 0 0 "[ . 1 . 2 . 3 .]" 1
1103 1 83 ARG HA 1 112 VAL HB 3.370 . 3.870 2.142 2.020 2.328 . 0 0 "[ . 1 . 2 . 3 .]" 1
1104 1 83 ARG HA 1 112 VAL MG1 4.320 . 4.820 3.016 2.671 3.386 . 0 0 "[ . 1 . 2 . 3 .]" 1
1105 1 83 ARG HA 1 112 VAL MG2 4.760 . 5.260 3.515 3.318 3.743 . 0 0 "[ . 1 . 2 . 3 .]" 1
1106 1 83 ARG QB 1 85 ASP H 5.990 . 6.490 4.733 4.613 4.829 . 0 0 "[ . 1 . 2 . 3 .]" 1
1107 1 83 ARG QB 1 112 VAL MG1 6.550 . 7.050 4.189 3.946 4.424 . 0 0 "[ . 1 . 2 . 3 .]" 1
1108 1 83 ARG QD 1 112 VAL MG1 5.880 . 6.380 3.986 2.233 4.384 . 0 0 "[ . 1 . 2 . 3 .]" 1
1109 1 83 ARG QD 1 113 THR HA 5.120 . 5.620 4.017 2.977 4.574 . 0 0 "[ . 1 . 2 . 3 .]" 1
1110 1 83 ARG QD 1 114 GLU H 5.080 . 5.580 3.542 2.681 4.203 . 0 0 "[ . 1 . 2 . 3 .]" 1
1111 1 83 ARG QD 1 114 GLU HA 4.330 . 4.830 2.914 2.357 3.659 . 0 0 "[ . 1 . 2 . 3 .]" 1
1112 1 83 ARG QD 1 114 GLU QB 5.280 . 5.780 3.417 2.063 4.214 . 0 0 "[ . 1 . 2 . 3 .]" 1
1113 1 83 ARG QD 1 114 GLU QG 5.090 . 5.590 2.760 2.069 4.093 . 0 0 "[ . 1 . 2 . 3 .]" 1
1114 1 83 ARG QD 1 115 ARG H 6.170 . 6.670 4.736 4.157 5.502 . 0 0 "[ . 1 . 2 . 3 .]" 1
1115 1 83 ARG QG 1 112 VAL MG1 5.280 . 5.780 2.715 2.321 3.316 . 0 0 "[ . 1 . 2 . 3 .]" 1
1116 1 83 ARG QG 1 114 GLU QG 6.730 . 7.230 4.026 2.283 5.378 . 0 0 "[ . 1 . 2 . 3 .]" 1
1117 1 83 ARG HG2 1 112 VAL MG1 5.420 . 5.920 3.072 2.352 3.999 . 0 0 "[ . 1 . 2 . 3 .]" 1
1118 1 83 ARG HG3 1 112 VAL MG1 5.420 . 5.920 3.450 2.512 4.529 . 0 0 "[ . 1 . 2 . 3 .]" 1
1119 1 84 ASN QB 1 85 ASP H 4.190 . 4.690 3.119 2.712 3.801 . 0 0 "[ . 1 . 2 . 3 .]" 1
1120 1 85 ASP H 1 85 ASP HB2 3.870 . 4.370 2.485 2.427 2.536 . 0 0 "[ . 1 . 2 . 3 .]" 1
1121 1 85 ASP H 1 85 ASP HB3 3.870 . 4.370 3.624 3.574 3.663 . 0 0 "[ . 1 . 2 . 3 .]" 1
1122 1 85 ASP H 1 86 SER H 3.150 . 3.650 2.586 2.478 2.693 . 0 0 "[ . 1 . 2 . 3 .]" 1
1123 1 85 ASP H 1 112 VAL HB 5.500 . 6.000 4.417 4.105 4.661 . 0 0 "[ . 1 . 2 . 3 .]" 1
1124 1 85 ASP H 1 112 VAL MG2 4.940 . 5.440 3.615 3.487 3.701 . 0 0 "[ . 1 . 2 . 3 .]" 1
1125 1 85 ASP HA 1 110 LEU MD2 5.610 . 6.110 4.159 4.028 4.393 . 0 0 "[ . 1 . 2 . 3 .]" 1
1126 1 85 ASP HA 1 112 VAL MG2 6.320 . 6.820 4.870 4.713 5.023 . 0 0 "[ . 1 . 2 . 3 .]" 1
1127 1 85 ASP QB 1 86 SER H 4.510 . 5.010 3.229 2.941 3.501 . 0 0 "[ . 1 . 2 . 3 .]" 1
1128 1 85 ASP QB 1 110 LEU MD2 5.030 . 5.530 2.469 2.248 2.890 . 0 0 "[ . 1 . 2 . 3 .]" 1
1129 1 85 ASP HB2 1 86 SER H 4.810 . 5.310 3.360 3.030 3.669 . 0 0 "[ . 1 . 2 . 3 .]" 1
1130 1 85 ASP HB2 1 110 LEU MD2 5.130 . 5.630 3.039 2.716 3.552 . 0 0 "[ . 1 . 2 . 3 .]" 1
1131 1 85 ASP HB2 1 112 VAL MG2 5.150 . 5.650 2.569 2.307 2.827 . 0 0 "[ . 1 . 2 . 3 .]" 1
1132 1 85 ASP HB3 1 86 SER H 4.810 . 5.310 4.191 3.948 4.424 . 0 0 "[ . 1 . 2 . 3 .]" 1
1133 1 85 ASP HB3 1 110 LEU MD2 5.130 . 5.630 2.621 2.344 3.100 . 0 0 "[ . 1 . 2 . 3 .]" 1
1134 1 85 ASP HB3 1 112 VAL MG2 5.150 . 5.650 3.788 3.548 4.097 . 0 0 "[ . 1 . 2 . 3 .]" 1
1135 1 86 SER H 1 86 SER HB2 3.740 . 4.240 2.607 2.489 2.712 . 0 0 "[ . 1 . 2 . 3 .]" 1
1136 1 86 SER H 1 86 SER QB 3.480 . 3.980 2.552 2.449 2.636 . 0 0 "[ . 1 . 2 . 3 .]" 1
1137 1 86 SER H 1 86 SER HB3 3.740 . 4.240 3.634 3.596 3.680 . 0 0 "[ . 1 . 2 . 3 .]" 1
1138 1 86 SER H 1 86 SER HG 3.830 . 4.330 2.661 2.250 3.252 . 0 0 "[ . 1 . 2 . 3 .]" 1
1139 1 86 SER H 1 87 GLY H 4.720 . 5.220 4.676 4.611 4.718 . 0 0 "[ . 1 . 2 . 3 .]" 1
1140 1 86 SER H 1 112 VAL H 4.460 . 4.960 4.218 4.010 4.464 . 0 0 "[ . 1 . 2 . 3 .]" 1
1141 1 86 SER H 1 112 VAL HB 4.170 . 4.670 3.860 3.634 4.145 . 0 0 "[ . 1 . 2 . 3 .]" 1
1142 1 86 SER H 1 112 VAL MG2 4.500 . 5.000 3.341 3.082 3.537 . 0 0 "[ . 1 . 2 . 3 .]" 1
1143 1 86 SER HA 1 87 GLY H 2.900 . 3.400 2.212 2.156 2.260 . 0 0 "[ . 1 . 2 . 3 .]" 1
1144 1 86 SER HA 1 89 TYR QD 6.170 . 6.670 5.495 5.313 5.532 . 0 0 "[ . 1 . 2 . 3 .]" 1
1145 1 86 SER HA 1 110 LEU MD2 5.160 . 5.660 3.255 2.923 3.661 . 0 0 "[ . 1 . 2 . 3 .]" 1
1146 1 86 SER HA 1 110 LEU HG 4.410 . 4.910 2.795 2.637 3.012 . 0 0 "[ . 1 . 2 . 3 .]" 1
1147 1 86 SER HA 1 111 ARG HA 4.220 . 4.720 3.419 3.121 3.829 . 0 0 "[ . 1 . 2 . 3 .]" 1
1148 1 86 SER HA 1 112 VAL H 3.880 . 4.380 3.540 3.316 3.752 . 0 0 "[ . 1 . 2 . 3 .]" 1
1149 1 86 SER HA 1 112 VAL MG2 4.770 . 5.270 3.252 2.987 3.465 . 0 0 "[ . 1 . 2 . 3 .]" 1
1150 1 86 SER QB 1 87 GLY H 4.000 . 4.500 2.993 2.811 3.235 . 0 0 "[ . 1 . 2 . 3 .]" 1
1151 1 86 SER QB 1 111 ARG HA 4.310 . 4.810 2.639 2.363 2.919 . 0 0 "[ . 1 . 2 . 3 .]" 1
1152 1 86 SER QB 1 112 VAL H 4.150 . 4.650 3.019 2.903 3.134 . 0 0 "[ . 1 . 2 . 3 .]" 1
1153 1 86 SER HB2 1 111 ARG HA 4.450 . 4.950 4.183 3.922 4.429 . 0 0 "[ . 1 . 2 . 3 .]" 1
1154 1 86 SER HB2 1 112 VAL H 4.290 . 4.790 3.838 3.763 3.902 . 0 0 "[ . 1 . 2 . 3 .]" 1
1155 1 86 SER HB3 1 111 ARG HA 4.450 . 4.950 2.668 2.382 2.960 . 0 0 "[ . 1 . 2 . 3 .]" 1
1156 1 86 SER HB3 1 112 VAL H 4.290 . 4.790 3.158 3.019 3.305 . 0 0 "[ . 1 . 2 . 3 .]" 1
1157 1 86 SER HG 1 112 VAL H 4.130 . 4.630 2.411 2.271 2.540 . 0 0 "[ . 1 . 2 . 3 .]" 1
1158 1 87 GLY H 1 88 THR H 4.450 . 4.950 4.438 4.404 4.462 . 0 0 "[ . 1 . 2 . 3 .]" 1
1159 1 87 GLY H 1 89 TYR QD 5.520 . 6.020 4.243 4.026 4.418 . 0 0 "[ . 1 . 2 . 3 .]" 1
1160 1 87 GLY H 1 89 TYR QE 4.210 . 4.710 3.253 2.918 3.451 . 0 0 "[ . 1 . 2 . 3 .]" 1
1161 1 87 GLY H 1 109 GLU HA 4.490 . 4.990 4.510 4.378 4.545 . 0 0 "[ . 1 . 2 . 3 .]" 1
1162 1 87 GLY H 1 110 LEU H 3.670 . 4.170 2.799 2.693 2.935 . 0 0 "[ . 1 . 2 . 3 .]" 1
1163 1 87 GLY H 1 110 LEU QB 3.970 . 4.470 2.682 2.583 2.784 . 0 0 "[ . 1 . 2 . 3 .]" 1
1164 1 87 GLY H 1 110 LEU MD2 4.920 . 5.420 4.120 4.101 4.141 . 0 0 "[ . 1 . 2 . 3 .]" 1
1165 1 87 GLY H 1 110 LEU HG 4.420 . 4.920 4.024 3.846 4.163 . 0 0 "[ . 1 . 2 . 3 .]" 1
1166 1 87 GLY H 1 110 LEU O 2.000 . 2.500 2.024 2.003 2.052 . 0 0 "[ . 1 . 2 . 3 .]" 1
1167 1 87 GLY H 1 111 ARG HA 5.010 . 5.510 4.134 4.036 4.274 . 0 0 "[ . 1 . 2 . 3 .]" 1
1168 1 87 GLY HA2 1 88 THR H 3.140 . 3.640 2.735 2.660 2.820 . 0 0 "[ . 1 . 2 . 3 .]" 1
1169 1 87 GLY HA3 1 88 THR H 3.140 . 3.640 2.399 2.326 2.485 . 0 0 "[ . 1 . 2 . 3 .]" 1
1170 1 87 GLY N 1 110 LEU O 3.000 2.700 3.500 2.953 2.917 2.987 . 0 0 "[ . 1 . 2 . 3 .]" 1
1171 1 87 GLY O 1 110 LEU H 2.000 . 2.500 1.850 1.824 1.902 . 0 0 "[ . 1 . 2 . 3 .]" 1
1172 1 87 GLY O 1 110 LEU N 3.000 2.700 3.500 2.854 2.829 2.875 . 0 0 "[ . 1 . 2 . 3 .]" 1
1173 1 88 THR H 1 88 THR HB 3.270 . 3.770 2.717 2.634 2.854 . 0 0 "[ . 1 . 2 . 3 .]" 1
1174 1 88 THR H 1 89 TYR H 4.760 . 5.260 4.566 4.477 4.602 . 0 0 "[ . 1 . 2 . 3 .]" 1
1175 1 88 THR H 1 89 TYR QE 5.350 . 5.850 4.721 4.329 4.795 . 0 0 "[ . 1 . 2 . 3 .]" 1
1176 1 88 THR HA 1 89 TYR H 2.990 . 3.490 2.170 2.118 2.233 . 0 0 "[ . 1 . 2 . 3 .]" 1
1177 1 88 THR HA 1 89 TYR QD 5.020 . 5.520 3.211 3.099 3.430 . 0 0 "[ . 1 . 2 . 3 .]" 1
1178 1 88 THR HA 1 109 GLU HA 3.500 . 4.000 2.393 2.210 2.528 . 0 0 "[ . 1 . 2 . 3 .]" 1
1179 1 88 THR HB 1 89 TYR H 4.610 . 5.110 3.755 3.604 3.846 . 0 0 "[ . 1 . 2 . 3 .]" 1
1180 1 88 THR HB 1 89 TYR HA 4.490 . 4.990 4.554 4.533 4.603 . 0 0 "[ . 1 . 2 . 3 .]" 1
1181 1 88 THR MG 1 89 TYR H 4.260 . 4.760 2.362 2.226 2.536 . 0 0 "[ . 1 . 2 . 3 .]" 1
1182 1 88 THR MG 1 90 LEU CG 7.280 . 7.780 5.309 4.801 5.829 . 0 0 "[ . 1 . 2 . 3 .]" 1
1183 1 88 THR MG 1 107 ARG H 6.140 . 6.640 5.060 4.675 5.189 . 0 0 "[ . 1 . 2 . 3 .]" 1
1184 1 88 THR MG 1 107 ARG HA 5.460 . 5.960 4.002 3.414 4.557 . 0 0 "[ . 1 . 2 . 3 .]" 1
1185 1 88 THR MG 1 107 ARG QB 4.810 . 5.310 2.247 2.055 2.562 . 0 0 "[ . 1 . 2 . 3 .]" 1
1186 1 88 THR MG 1 107 ARG HD2 6.260 . 6.760 3.678 2.128 5.004 . 0 0 "[ . 1 . 2 . 3 .]" 1
1187 1 88 THR MG 1 107 ARG QD 5.940 . 6.440 3.131 2.015 4.407 . 0 0 "[ . 1 . 2 . 3 .]" 1
1188 1 88 THR MG 1 107 ARG HD3 6.260 . 6.760 3.692 2.063 4.893 . 0 0 "[ . 1 . 2 . 3 .]" 1
1189 1 88 THR MG 1 107 ARG HG2 5.180 . 5.680 2.817 2.177 3.921 . 0 0 "[ . 1 . 2 . 3 .]" 1
1190 1 88 THR MG 1 107 ARG QG 4.950 . 5.450 2.481 1.966 3.310 . 0 0 "[ . 1 . 2 . 3 .]" 1
1191 1 88 THR MG 1 107 ARG HG3 5.180 . 5.680 3.148 2.237 4.250 . 0 0 "[ . 1 . 2 . 3 .]" 1
1192 1 88 THR MG 1 108 ALA H 4.770 . 5.270 3.272 2.859 3.568 . 0 0 "[ . 1 . 2 . 3 .]" 1
1193 1 88 THR MG 1 109 GLU HA 5.060 . 5.560 3.594 3.138 3.800 . 0 0 "[ . 1 . 2 . 3 .]" 1
1194 1 88 THR MG 1 109 GLU QB 6.560 . 7.060 4.249 2.925 4.877 . 0 0 "[ . 1 . 2 . 3 .]" 1
1195 1 89 TYR H 1 89 TYR QD 4.160 . 4.660 3.069 2.842 3.284 . 0 0 "[ . 1 . 2 . 3 .]" 1
1196 1 89 TYR H 1 107 ARG QB 5.140 . 5.640 3.730 3.127 4.367 . 0 0 "[ . 1 . 2 . 3 .]" 1
1197 1 89 TYR H 1 107 ARG QG 5.330 . 5.830 4.607 3.857 4.794 . 0 0 "[ . 1 . 2 . 3 .]" 1
1198 1 89 TYR H 1 108 ALA O 2.000 . 2.500 1.852 1.803 1.924 . 0 0 "[ . 1 . 2 . 3 .]" 1
1199 1 89 TYR HA 1 90 LEU CG 6.890 . 7.390 4.885 4.680 5.076 . 0 0 "[ . 1 . 2 . 3 .]" 1
1200 1 89 TYR HA 1 90 LEU H 3.450 . 3.950 2.367 2.296 2.490 . 0 0 "[ . 1 . 2 . 3 .]" 1
1201 1 89 TYR QB 1 90 LEU CG 7.720 . 8.220 5.581 5.402 5.683 . 0 0 "[ . 1 . 2 . 3 .]" 1
1202 1 89 TYR QB 1 90 LEU H 4.250 . 4.750 2.572 2.346 2.676 . 0 0 "[ . 1 . 2 . 3 .]" 1
1203 1 89 TYR HB2 1 90 LEU H 4.410 . 4.910 3.850 3.532 3.954 . 0 0 "[ . 1 . 2 . 3 .]" 1
1204 1 89 TYR HB3 1 90 LEU H 4.410 . 4.910 2.613 2.382 2.722 . 0 0 "[ . 1 . 2 . 3 .]" 1
1205 1 89 TYR QD 1 90 LEU H 4.890 . 5.390 3.758 3.593 3.896 . 0 0 "[ . 1 . 2 . 3 .]" 1
1206 1 89 TYR QD 1 110 LEU H 4.520 . 5.020 3.045 2.846 3.452 . 0 0 "[ . 1 . 2 . 3 .]" 1
1207 1 89 TYR QD 1 110 LEU QB 5.420 . 5.920 2.843 2.613 3.049 . 0 0 "[ . 1 . 2 . 3 .]" 1
1208 1 89 TYR QD 1 110 LEU MD2 6.110 . 6.610 3.952 3.615 4.218 . 0 0 "[ . 1 . 2 . 3 .]" 1
1209 1 89 TYR QE 1 110 LEU H 4.970 . 5.470 3.740 3.477 4.046 . 0 0 "[ . 1 . 2 . 3 .]" 1
1210 1 89 TYR QE 1 110 LEU HB2 4.710 . 5.210 3.333 3.111 3.735 . 0 0 "[ . 1 . 2 . 3 .]" 1
1211 1 89 TYR QE 1 110 LEU QB 4.320 . 4.820 2.275 2.183 2.466 . 0 0 "[ . 1 . 2 . 3 .]" 1
1212 1 89 TYR QE 1 110 LEU HB3 4.710 . 5.210 2.317 2.230 2.501 . 0 0 "[ . 1 . 2 . 3 .]" 1
1213 1 89 TYR QE 1 110 LEU MD2 4.990 . 5.490 2.670 2.486 2.894 . 0 0 "[ . 1 . 2 . 3 .]" 1
1214 1 89 TYR N 1 108 ALA O 3.000 2.700 3.500 2.849 2.808 2.916 . 0 0 "[ . 1 . 2 . 3 .]" 1
1215 1 89 TYR O 1 108 ALA H 2.000 . 2.500 1.892 1.809 1.998 . 0 0 "[ . 1 . 2 . 3 .]" 1
1216 1 89 TYR O 1 108 ALA N 3.000 2.700 3.500 2.896 2.808 2.967 . 0 0 "[ . 1 . 2 . 3 .]" 1
1217 1 90 LEU CG 1 91 CYS H 6.420 . 6.920 4.006 3.706 4.246 . 0 0 "[ . 1 . 2 . 3 .]" 1
1218 1 90 LEU CG 1 104 GLU QB 6.540 . 7.040 4.688 3.995 5.866 . 0 0 "[ . 1 . 2 . 3 .]" 1
1219 1 90 LEU CG 1 104 GLU HG2 6.610 . 7.110 5.098 4.118 6.652 . 0 0 "[ . 1 . 2 . 3 .]" 1
1220 1 90 LEU CG 1 104 GLU HG3 6.610 . 7.110 6.449 4.258 6.646 . 0 0 "[ . 1 . 2 . 3 .]" 1
1221 1 90 LEU CG 1 105 SER H 6.340 . 6.840 5.161 4.518 6.341 . 0 0 "[ . 1 . 2 . 3 .]" 1
1222 1 90 LEU CG 1 107 ARG HA 6.920 . 7.420 4.549 4.178 5.102 . 0 0 "[ . 1 . 2 . 3 .]" 1
1223 1 90 LEU CG 1 107 ARG QB 7.060 . 7.560 4.527 3.531 6.066 . 0 0 "[ . 1 . 2 . 3 .]" 1
1224 1 90 LEU CG 1 107 ARG QD 7.890 . 8.390 5.662 3.724 7.030 . 0 0 "[ . 1 . 2 . 3 .]" 1
1225 1 90 LEU CG 1 107 ARG HG2 6.850 . 7.350 5.674 3.577 6.869 . 0 0 "[ . 1 . 2 . 3 .]" 1
1226 1 90 LEU CG 1 107 ARG QG 6.540 . 7.040 4.904 3.458 5.889 . 0 0 "[ . 1 . 2 . 3 .]" 1
1227 1 90 LEU CG 1 107 ARG HG3 6.850 . 7.350 5.559 3.696 6.658 . 0 0 "[ . 1 . 2 . 3 .]" 1
1228 1 90 LEU H 1 90 LEU HG 4.180 . 4.680 3.273 2.656 3.705 . 0 0 "[ . 1 . 2 . 3 .]" 1
1229 1 90 LEU QB 1 91 CYS H 3.750 . 4.250 2.461 2.173 2.725 . 0 0 "[ . 1 . 2 . 3 .]" 1
1230 1 90 LEU QB 1 107 ARG HA 4.560 . 5.060 2.385 2.075 2.872 . 0 0 "[ . 1 . 2 . 3 .]" 1
1231 1 90 LEU HB2 1 91 CYS H 4.010 . 4.510 2.493 2.191 2.772 . 0 0 "[ . 1 . 2 . 3 .]" 1
1232 1 90 LEU HB3 1 91 CYS H 4.010 . 4.510 3.807 3.617 4.018 . 0 0 "[ . 1 . 2 . 3 .]" 1
1233 1 91 CYS H 1 105 SER H 4.900 . 5.400 4.034 3.172 4.929 . 0 0 "[ . 1 . 2 . 3 .]" 1
1234 1 91 CYS H 1 107 ARG HA 5.200 . 5.700 4.719 4.206 5.232 . 0 0 "[ . 1 . 2 . 3 .]" 1
1235 1 91 CYS QB 1 92 GLY H 4.780 . 5.280 3.139 2.335 3.806 . 0 0 "[ . 1 . 2 . 3 .]" 1
1236 1 92 GLY HA2 1 102 ILE MG 5.490 . 5.990 3.394 2.829 3.983 . 0 0 "[ . 1 . 2 . 3 .]" 1
1237 1 92 GLY HA2 1 104 GLU HA 4.330 . 4.830 2.685 2.114 3.666 . 0 0 "[ . 1 . 2 . 3 .]" 1
1238 1 92 GLY HA2 1 105 SER H 5.090 . 5.590 3.835 2.925 5.118 . 0 0 "[ . 1 . 2 . 3 .]" 1
1239 1 92 GLY HA3 1 102 ILE MD 5.840 . 6.340 4.587 2.816 4.898 . 0 0 "[ . 1 . 2 . 3 .]" 1
1240 1 92 GLY HA3 1 102 ILE MG 5.420 . 5.920 2.610 2.141 3.080 . 0 0 "[ . 1 . 2 . 3 .]" 1
1241 1 92 GLY HA3 1 104 GLU HA 4.470 . 4.970 3.432 2.754 4.493 . 0 0 "[ . 1 . 2 . 3 .]" 1
1242 1 93 ALA H 1 102 ILE MG 5.440 . 5.940 3.147 2.574 3.755 . 0 0 "[ . 1 . 2 . 3 .]" 1
1243 1 93 ALA H 1 103 LYS H 4.060 . 4.560 3.105 2.562 3.480 . 0 0 "[ . 1 . 2 . 3 .]" 1
1244 1 93 ALA H 1 103 LYS QB 4.970 . 5.470 3.195 2.436 4.451 . 0 0 "[ . 1 . 2 . 3 .]" 1
1245 1 93 ALA HA 1 94 ILE H 3.160 . 3.660 2.284 2.216 2.345 . 0 0 "[ . 1 . 2 . 3 .]" 1
1246 1 93 ALA MB 1 94 ILE H 4.550 . 5.050 2.666 2.447 3.232 . 0 0 "[ . 1 . 2 . 3 .]" 1
1247 1 93 ALA MB 1 103 LYS H 5.730 . 6.230 3.799 3.326 4.161 . 0 0 "[ . 1 . 2 . 3 .]" 1
1248 1 94 ILE H 1 94 ILE HB 4.070 . 4.570 3.326 3.090 3.417 . 0 0 "[ . 1 . 2 . 3 .]" 1
1249 1 94 ILE H 1 94 ILE MG 4.440 . 4.940 2.420 2.212 2.524 . 0 0 "[ . 1 . 2 . 3 .]" 1
1250 1 94 ILE HA 1 95 SER H 3.040 . 3.540 2.215 2.152 2.337 . 0 0 "[ . 1 . 2 . 3 .]" 1
1251 1 94 ILE HA 1 100 ALA MB 5.600 . 6.100 3.486 3.297 3.632 . 0 0 "[ . 1 . 2 . 3 .]" 1
1252 1 94 ILE HA 1 102 ILE HA 4.240 . 4.740 3.365 2.834 3.745 . 0 0 "[ . 1 . 2 . 3 .]" 1
1253 1 94 ILE HB 1 95 SER H 4.810 . 5.310 4.231 4.150 4.280 . 0 0 "[ . 1 . 2 . 3 .]" 1
1254 1 94 ILE HB 1 102 ILE HA 4.310 . 4.810 2.541 2.264 2.942 . 0 0 "[ . 1 . 2 . 3 .]" 1
1255 1 94 ILE HB 1 102 ILE QG 5.100 . 5.600 2.541 2.169 4.050 . 0 0 "[ . 1 . 2 . 3 .]" 1
1256 1 94 ILE MD 1 100 ALA MB 5.450 . 5.950 2.603 2.441 2.897 . 0 0 "[ . 1 . 2 . 3 .]" 1
1257 1 94 ILE MD 1 101 GLN HA 5.150 . 5.650 2.766 2.377 3.497 . 0 0 "[ . 1 . 2 . 3 .]" 1
1258 1 94 ILE MD 1 102 ILE H 4.960 . 5.460 3.283 2.825 3.866 . 0 0 "[ . 1 . 2 . 3 .]" 1
1259 1 94 ILE MD 1 102 ILE QG 5.720 . 6.220 2.274 2.075 2.896 . 0 0 "[ . 1 . 2 . 3 .]" 1
1260 1 94 ILE QG 1 95 SER H 4.470 . 4.970 2.578 2.304 2.677 . 0 0 "[ . 1 . 2 . 3 .]" 1
1261 1 94 ILE QG 1 100 ALA MB 4.650 . 5.150 1.999 1.937 2.097 . 0 0 "[ . 1 . 2 . 3 .]" 1
1262 1 94 ILE QG 1 102 ILE HA 5.160 . 5.660 3.462 3.243 3.785 . 0 0 "[ . 1 . 2 . 3 .]" 1
1263 1 94 ILE HG12 1 100 ALA MB 5.130 . 5.630 2.204 2.171 2.266 . 0 0 "[ . 1 . 2 . 3 .]" 1
1264 1 94 ILE HG12 1 101 GLN H 4.640 . 5.140 4.141 3.812 4.483 . 0 0 "[ . 1 . 2 . 3 .]" 1
1265 1 94 ILE HG13 1 100 ALA MB 5.130 . 5.630 2.295 2.165 2.529 . 0 0 "[ . 1 . 2 . 3 .]" 1
1266 1 94 ILE HG13 1 101 GLN H 4.640 . 5.140 2.814 2.404 3.142 . 0 0 "[ . 1 . 2 . 3 .]" 1
1267 1 94 ILE MG 1 95 SER H 4.770 . 5.270 3.947 3.694 4.005 . 0 0 "[ . 1 . 2 . 3 .]" 1
1268 1 94 ILE MG 1 100 ALA MB 5.490 . 5.990 3.840 3.818 3.863 . 0 0 "[ . 1 . 2 . 3 .]" 1
1269 1 94 ILE MG 1 102 ILE HA 6.100 . 6.600 4.167 3.842 4.550 . 0 0 "[ . 1 . 2 . 3 .]" 1
1270 1 95 SER H 1 95 SER HB2 3.720 . 4.220 2.744 2.433 3.620 . 0 0 "[ . 1 . 2 . 3 .]" 1
1271 1 95 SER H 1 95 SER HB3 3.720 . 4.220 3.235 2.311 3.672 . 0 0 "[ . 1 . 2 . 3 .]" 1
1272 1 95 SER H 1 100 ALA HA 4.530 . 5.030 4.446 3.436 4.570 . 0 0 "[ . 1 . 2 . 3 .]" 1
1273 1 95 SER H 1 100 ALA MB 4.780 . 5.280 2.319 2.093 2.467 . 0 0 "[ . 1 . 2 . 3 .]" 1
1274 1 95 SER HA 1 96 LEU CG 7.090 . 7.590 5.002 4.569 6.248 . 0 0 "[ . 1 . 2 . 3 .]" 1
1275 1 95 SER HA 1 96 LEU H 3.230 . 3.730 2.372 2.318 2.444 . 0 0 "[ . 1 . 2 . 3 .]" 1
1276 1 95 SER HA 1 97 ALA H 4.250 . 4.750 4.147 3.854 4.279 . 0 0 "[ . 1 . 2 . 3 .]" 1
1277 1 95 SER QB 1 96 LEU H 4.100 . 4.600 2.721 2.434 3.406 . 0 0 "[ . 1 . 2 . 3 .]" 1
1278 1 95 SER QB 1 96 LEU HG 5.990 . 6.490 4.627 3.717 5.415 . 0 0 "[ . 1 . 2 . 3 .]" 1
1279 1 95 SER QB 1 97 ALA H 4.310 . 4.810 2.749 2.396 3.025 . 0 0 "[ . 1 . 2 . 3 .]" 1
1280 1 95 SER QB 1 97 ALA MB 5.070 . 5.570 3.111 2.685 3.405 . 0 0 "[ . 1 . 2 . 3 .]" 1
1281 1 95 SER HB2 1 96 LEU H 4.180 . 4.680 3.527 2.481 3.934 . 0 0 "[ . 1 . 2 . 3 .]" 1
1282 1 95 SER HB2 1 97 ALA H 4.410 . 4.910 3.206 2.668 4.250 . 0 0 "[ . 1 . 2 . 3 .]" 1
1283 1 95 SER HB2 1 97 ALA MB 5.420 . 5.920 3.508 2.815 4.513 . 0 0 "[ . 1 . 2 . 3 .]" 1
1284 1 95 SER HB2 1 100 ALA MB 4.950 . 5.450 2.682 2.073 3.896 . 0 0 "[ . 1 . 2 . 3 .]" 1
1285 1 95 SER HB3 1 96 LEU H 4.180 . 4.680 3.023 2.494 3.921 . 0 0 "[ . 1 . 2 . 3 .]" 1
1286 1 95 SER HB3 1 97 ALA H 4.410 . 4.910 3.200 2.711 4.311 . 0 0 "[ . 1 . 2 . 3 .]" 1
1287 1 95 SER HB3 1 97 ALA MB 5.420 . 5.920 3.699 2.971 4.533 . 0 0 "[ . 1 . 2 . 3 .]" 1
1288 1 95 SER HB3 1 100 ALA MB 4.950 . 5.450 3.368 2.075 4.011 . 0 0 "[ . 1 . 2 . 3 .]" 1
1289 1 96 LEU CG 1 97 ALA H 6.960 . 7.460 4.246 3.389 4.931 . 0 0 "[ . 1 . 2 . 3 .]" 1
1290 1 96 LEU H 1 97 ALA H 3.550 . 4.050 2.804 2.431 2.994 . 0 0 "[ . 1 . 2 . 3 .]" 1
1291 1 96 LEU HA 1 97 ALA H 3.520 . 4.020 3.394 3.296 3.544 . 0 0 "[ . 1 . 2 . 3 .]" 1
1292 1 96 LEU MD1 1 97 ALA H 6.580 . 7.080 3.941 2.284 5.399 . 0 0 "[ . 1 . 2 . 3 .]" 1
1293 1 96 LEU MD2 1 97 ALA H 6.580 . 7.080 4.434 2.219 5.052 . 0 0 "[ . 1 . 2 . 3 .]" 1
1294 1 97 ALA HA 1 98 PRO HD2 3.770 . 4.270 2.547 2.364 2.810 . 0 0 "[ . 1 . 2 . 3 .]" 1
1295 1 97 ALA HA 1 98 PRO QD 3.600 . 4.100 2.116 2.008 2.246 . 0 0 "[ . 1 . 2 . 3 .]" 1
1296 1 97 ALA HA 1 98 PRO HD3 3.770 . 4.270 2.312 2.073 2.550 . 0 0 "[ . 1 . 2 . 3 .]" 1
1297 1 97 ALA HA 1 98 PRO QG 5.060 . 5.560 4.047 3.934 4.179 . 0 0 "[ . 1 . 2 . 3 .]" 1
1298 1 97 ALA MB 1 98 PRO QB 6.550 . 7.050 4.606 4.344 4.789 . 0 0 "[ . 1 . 2 . 3 .]" 1
1299 1 97 ALA MB 1 98 PRO HD2 4.900 . 5.400 2.534 2.169 3.209 . 0 0 "[ . 1 . 2 . 3 .]" 1
1300 1 97 ALA MB 1 98 PRO QD 4.460 . 4.960 2.464 2.147 3.005 . 0 0 "[ . 1 . 2 . 3 .]" 1
1301 1 97 ALA MB 1 98 PRO HD3 4.900 . 5.400 3.494 3.292 3.621 . 0 0 "[ . 1 . 2 . 3 .]" 1
1302 1 97 ALA MB 1 99 LYS H 4.830 . 5.330 2.722 2.582 3.074 . 0 0 "[ . 1 . 2 . 3 .]" 1
1303 1 97 ALA MB 1 100 ALA H 5.020 . 5.520 3.289 3.042 3.669 . 0 0 "[ . 1 . 2 . 3 .]" 1
1304 1 97 ALA MB 1 100 ALA MB 5.680 . 6.180 2.783 2.377 3.306 . 0 0 "[ . 1 . 2 . 3 .]" 1
1305 1 98 PRO HA 1 99 LYS H 3.540 . 4.040 3.536 3.500 3.555 . 0 0 "[ . 1 . 2 . 3 .]" 1
1306 1 98 PRO HA 1 100 ALA H 4.430 . 4.930 3.742 3.579 3.889 . 0 0 "[ . 1 . 2 . 3 .]" 1
1307 1 98 PRO QB 1 99 LYS H 4.500 . 5.000 3.251 2.745 3.598 . 0 0 "[ . 1 . 2 . 3 .]" 1
1308 1 99 LYS H 1 100 ALA H 3.970 . 4.470 2.742 2.663 2.841 . 0 0 "[ . 1 . 2 . 3 .]" 1
1309 1 100 ALA H 1 101 GLN H 4.730 . 5.230 4.654 4.608 4.672 . 0 0 "[ . 1 . 2 . 3 .]" 1
1310 1 100 ALA HA 1 101 GLN H 2.770 . 3.270 2.379 2.239 2.499 . 0 0 "[ . 1 . 2 . 3 .]" 1
1311 1 100 ALA HA 1 101 GLN QB 5.080 . 5.580 4.093 3.763 4.440 . 0 0 "[ . 1 . 2 . 3 .]" 1
1312 1 100 ALA MB 1 101 GLN H 4.130 . 4.630 2.421 2.235 2.670 . 0 0 "[ . 1 . 2 . 3 .]" 1
1313 1 101 GLN H 1 101 GLN HB2 3.940 . 4.440 3.244 2.687 3.961 . 0 0 "[ . 1 . 2 . 3 .]" 1
1314 1 101 GLN H 1 101 GLN HB3 3.940 . 4.440 3.286 2.611 3.871 . 0 0 "[ . 1 . 2 . 3 .]" 1
1315 1 101 GLN H 1 101 GLN QG 4.790 . 5.290 3.693 2.492 4.300 . 0 0 "[ . 1 . 2 . 3 .]" 1
1316 1 101 GLN H 1 102 ILE H 4.360 . 4.860 4.373 4.295 4.402 . 0 0 "[ . 1 . 2 . 3 .]" 1
1317 1 101 GLN HA 1 102 ILE H 2.980 . 3.480 2.378 2.263 2.503 . 0 0 "[ . 1 . 2 . 3 .]" 1
1318 1 101 GLN QG 1 102 ILE H 4.460 . 4.960 3.214 2.283 3.970 . 0 0 "[ . 1 . 2 . 3 .]" 1
1319 1 102 ILE H 1 102 ILE HB 3.140 . 3.640 2.582 2.322 2.689 . 0 0 "[ . 1 . 2 . 3 .]" 1
1320 1 102 ILE H 1 102 ILE HG12 3.940 . 4.440 3.369 2.107 3.612 . 0 0 "[ . 1 . 2 . 3 .]" 1
1321 1 102 ILE H 1 102 ILE QG 3.870 . 4.370 2.203 1.968 2.608 . 0 0 "[ . 1 . 2 . 3 .]" 1
1322 1 102 ILE H 1 102 ILE HG13 3.940 . 4.440 2.339 1.983 3.740 . 0 0 "[ . 1 . 2 . 3 .]" 1
1323 1 102 ILE HA 1 103 LYS H 3.200 . 3.700 2.103 2.038 2.171 . 0 0 "[ . 1 . 2 . 3 .]" 1
1324 1 102 ILE MD 1 104 GLU QG 7.000 . 7.500 4.562 3.705 5.212 . 0 0 "[ . 1 . 2 . 3 .]" 1
1325 1 102 ILE QG 1 103 LYS H 5.990 . 6.490 4.271 3.899 4.898 . 0 0 "[ . 1 . 2 . 3 .]" 1
1326 1 102 ILE MG 1 103 LYS H 4.860 . 5.360 2.784 2.416 3.198 . 0 0 "[ . 1 . 2 . 3 .]" 1
1327 1 102 ILE MG 1 104 GLU HG2 5.310 . 5.810 3.275 2.474 4.462 . 0 0 "[ . 1 . 2 . 3 .]" 1
1328 1 102 ILE MG 1 104 GLU QG 5.230 . 5.730 2.562 2.158 3.539 . 0 0 "[ . 1 . 2 . 3 .]" 1
1329 1 102 ILE MG 1 104 GLU HG3 5.310 . 5.810 2.766 2.211 4.428 . 0 0 "[ . 1 . 2 . 3 .]" 1
1330 1 103 LYS H 1 103 LYS HB2 3.990 . 4.490 2.701 2.412 3.752 . 0 0 "[ . 1 . 2 . 3 .]" 1
1331 1 103 LYS H 1 103 LYS HB3 3.990 . 4.490 3.132 2.308 3.827 . 0 0 "[ . 1 . 2 . 3 .]" 1
1332 1 103 LYS H 1 103 LYS QG 4.790 . 5.290 3.141 2.119 4.275 . 0 0 "[ . 1 . 2 . 3 .]" 1
1333 1 103 LYS HA 1 104 GLU H 3.290 . 3.790 2.240 2.099 2.361 . 0 0 "[ . 1 . 2 . 3 .]" 1
1334 1 104 GLU HA 1 105 SER H 3.350 . 3.850 2.267 2.143 2.434 . 0 0 "[ . 1 . 2 . 3 .]" 1
1335 1 104 GLU HB2 1 105 SER H 4.290 . 4.790 3.813 2.489 4.291 . 0 0 "[ . 1 . 2 . 3 .]" 1
1336 1 104 GLU HB3 1 105 SER H 4.290 . 4.790 2.938 2.519 4.142 . 0 0 "[ . 1 . 2 . 3 .]" 1
1337 1 104 GLU QG 1 105 SER H 4.930 . 5.430 3.879 2.532 4.412 . 0 0 "[ . 1 . 2 . 3 .]" 1
1338 1 105 SER H 1 105 SER HB2 4.190 . 4.690 3.059 2.366 3.749 . 0 0 "[ . 1 . 2 . 3 .]" 1
1339 1 105 SER H 1 105 SER HB3 4.190 . 4.690 3.119 2.506 3.982 . 0 0 "[ . 1 . 2 . 3 .]" 1
1340 1 105 SER H 1 106 LEU H 5.350 . 5.850 4.475 4.276 4.662 . 0 0 "[ . 1 . 2 . 3 .]" 1
1341 1 105 SER HA 1 106 LEU H 3.320 . 3.820 2.554 2.231 2.790 . 0 0 "[ . 1 . 2 . 3 .]" 1
1342 1 105 SER HA 1 106 LEU QB 5.420 . 5.920 4.646 4.105 4.861 . 0 0 "[ . 1 . 2 . 3 .]" 1
1343 1 105 SER QB 1 106 LEU H 3.920 . 4.420 2.475 1.994 3.313 . 0 0 "[ . 1 . 2 . 3 .]" 1
1344 1 105 SER HB2 1 106 LEU H 4.100 . 4.600 3.223 2.004 4.079 . 0 0 "[ . 1 . 2 . 3 .]" 1
1345 1 105 SER HB3 1 106 LEU H 4.100 . 4.600 2.944 2.031 3.843 . 0 0 "[ . 1 . 2 . 3 .]" 1
1346 1 106 LEU CG 1 107 ARG H 5.870 . 6.370 4.372 3.892 4.719 . 0 0 "[ . 1 . 2 . 3 .]" 1
1347 1 106 LEU H 1 106 LEU HG 3.870 . 4.370 3.134 1.994 4.015 . 0 0 "[ . 1 . 2 . 3 .]" 1
1348 1 106 LEU HA 1 106 LEU HG 4.170 . 4.670 3.294 2.428 4.213 . 0 0 "[ . 1 . 2 . 3 .]" 1
1349 1 106 LEU HA 1 107 ARG H 2.940 . 3.440 2.231 2.096 2.588 . 0 0 "[ . 1 . 2 . 3 .]" 1
1350 1 107 ARG H 1 107 ARG HD2 4.850 . 5.350 3.644 2.098 4.858 . 0 0 "[ . 1 . 2 . 3 .]" 1
1351 1 107 ARG H 1 107 ARG QD 4.730 . 5.230 3.091 1.878 4.250 . 0 0 "[ . 1 . 2 . 3 .]" 1
1352 1 107 ARG H 1 107 ARG HD3 4.850 . 5.350 3.586 1.904 4.860 . 0 0 "[ . 1 . 2 . 3 .]" 1
1353 1 107 ARG H 1 108 ALA H 4.610 . 5.110 4.588 4.268 4.652 . 0 0 "[ . 1 . 2 . 3 .]" 1
1354 1 107 ARG HA 1 108 ALA H 3.140 . 3.640 2.257 2.102 2.410 . 0 0 "[ . 1 . 2 . 3 .]" 1
1355 1 107 ARG QB 1 108 ALA H 3.930 . 4.430 2.618 2.236 3.093 . 0 0 "[ . 1 . 2 . 3 .]" 1
1356 1 108 ALA HA 1 109 GLU H 2.860 . 3.360 2.403 2.226 2.508 . 0 0 "[ . 1 . 2 . 3 .]" 1
1357 1 108 ALA MB 1 109 GLU H 3.960 . 4.460 2.501 2.309 3.092 . 0 0 "[ . 1 . 2 . 3 .]" 1
1358 1 109 GLU H 1 109 GLU HG2 4.340 . 4.840 3.524 2.346 4.084 . 0 0 "[ . 1 . 2 . 3 .]" 1
1359 1 109 GLU H 1 109 GLU QG 3.940 . 4.440 2.704 2.289 3.005 . 0 0 "[ . 1 . 2 . 3 .]" 1
1360 1 109 GLU H 1 109 GLU HG3 4.340 . 4.840 2.979 2.620 3.816 . 0 0 "[ . 1 . 2 . 3 .]" 1
1361 1 109 GLU H 1 110 LEU H 4.620 . 5.120 4.483 4.409 4.577 . 0 0 "[ . 1 . 2 . 3 .]" 1
1362 1 109 GLU HA 1 109 GLU HG2 4.080 . 4.580 2.796 2.376 3.832 . 0 0 "[ . 1 . 2 . 3 .]" 1
1363 1 109 GLU HA 1 109 GLU HG3 4.080 . 4.580 3.332 3.001 3.818 . 0 0 "[ . 1 . 2 . 3 .]" 1
1364 1 109 GLU HA 1 110 LEU H 2.940 . 3.440 2.153 2.093 2.203 . 0 0 "[ . 1 . 2 . 3 .]" 1
1365 1 109 GLU QB 1 110 LEU H 4.130 . 4.630 2.867 2.580 3.093 . 0 0 "[ . 1 . 2 . 3 .]" 1
1366 1 109 GLU QB 1 111 ARG H 6.160 . 6.660 4.942 4.525 5.490 . 0 0 "[ . 1 . 2 . 3 .]" 1
1367 1 110 LEU H 1 110 LEU HB2 3.920 . 4.420 2.976 2.877 3.109 . 0 0 "[ . 1 . 2 . 3 .]" 1
1368 1 110 LEU H 1 110 LEU QB 3.640 . 4.140 2.358 2.273 2.444 . 0 0 "[ . 1 . 2 . 3 .]" 1
1369 1 110 LEU H 1 110 LEU HB3 3.920 . 4.420 2.473 2.372 2.574 . 0 0 "[ . 1 . 2 . 3 .]" 1
1370 1 110 LEU H 1 110 LEU MD1 5.580 . 6.080 4.379 4.338 4.446 . 0 0 "[ . 1 . 2 . 3 .]" 1
1371 1 110 LEU HA 1 110 LEU MD1 4.140 . 4.640 2.196 2.172 2.252 . 0 0 "[ . 1 . 2 . 3 .]" 1
1372 1 110 LEU HA 1 111 ARG H 2.910 . 3.410 2.137 2.103 2.166 . 0 0 "[ . 1 . 2 . 3 .]" 1
1373 1 110 LEU QB 1 111 ARG H 4.880 . 5.380 3.779 3.719 3.849 . 0 0 "[ . 1 . 2 . 3 .]" 1
1374 1 110 LEU QB 1 111 ARG HA 5.990 . 6.490 4.625 4.502 4.761 . 0 0 "[ . 1 . 2 . 3 .]" 1
1375 1 110 LEU MD1 1 111 ARG H 3.830 . 4.330 2.303 2.147 2.418 . 0 0 "[ . 1 . 2 . 3 .]" 1
1376 1 110 LEU HG 1 111 ARG H 4.040 . 4.540 3.228 3.014 3.468 . 0 0 "[ . 1 . 2 . 3 .]" 1
1377 1 110 LEU HG 1 112 VAL H 4.140 . 4.640 3.844 3.466 4.155 . 0 0 "[ . 1 . 2 . 3 .]" 1
1378 1 110 LEU HG 1 112 VAL MG2 4.540 . 5.040 2.536 2.330 2.738 . 0 0 "[ . 1 . 2 . 3 .]" 1
1379 1 111 ARG H 1 111 ARG HB2 3.760 . 4.260 3.025 2.671 3.150 . 0 0 "[ . 1 . 2 . 3 .]" 1
1380 1 111 ARG H 1 111 ARG HB3 3.760 . 4.260 2.624 2.465 3.087 . 0 0 "[ . 1 . 2 . 3 .]" 1
1381 1 111 ARG HA 1 112 VAL H 2.880 . 3.380 2.147 2.122 2.190 . 0 0 "[ . 1 . 2 . 3 .]" 1
1382 1 111 ARG QB 1 112 VAL H 4.800 . 5.300 3.912 3.724 4.000 . 0 0 "[ . 1 . 2 . 3 .]" 1
1383 1 111 ARG QB 1 113 THR MG 5.940 . 6.440 3.817 3.244 4.017 . 0 0 "[ . 1 . 2 . 3 .]" 1
1384 1 111 ARG QG 1 112 VAL H 4.670 . 5.170 3.164 3.011 3.581 . 0 0 "[ . 1 . 2 . 3 .]" 1
1385 1 111 ARG QG 1 113 THR HA 5.390 . 5.890 4.151 3.914 4.711 . 0 0 "[ . 1 . 2 . 3 .]" 1
1386 1 111 ARG QG 1 113 THR MG 5.430 . 5.930 2.455 2.264 3.026 . 0 0 "[ . 1 . 2 . 3 .]" 1
1387 1 112 VAL H 1 112 VAL HB 3.340 . 3.840 2.632 2.581 2.728 . 0 0 "[ . 1 . 2 . 3 .]" 1
1388 1 112 VAL H 1 112 VAL MG2 3.930 . 4.430 2.566 2.485 2.641 . 0 0 "[ . 1 . 2 . 3 .]" 1
1389 1 112 VAL H 1 113 THR H 4.360 . 4.860 4.350 4.267 4.396 . 0 0 "[ . 1 . 2 . 3 .]" 1
1390 1 112 VAL HA 1 113 THR H 2.770 . 3.270 2.147 2.078 2.182 . 0 0 "[ . 1 . 2 . 3 .]" 1
1391 1 112 VAL HA 1 113 THR HA 5.270 . 5.770 4.498 4.456 4.517 . 0 0 "[ . 1 . 2 . 3 .]" 1
1392 1 112 VAL HA 1 113 THR MG 5.430 . 5.930 3.784 3.624 3.918 . 0 0 "[ . 1 . 2 . 3 .]" 1
1393 1 112 VAL HB 1 113 THR H 4.630 . 5.130 4.303 4.238 4.364 . 0 0 "[ . 1 . 2 . 3 .]" 1
1394 1 112 VAL MG1 1 113 THR H 4.120 . 4.620 2.940 2.808 3.051 . 0 0 "[ . 1 . 2 . 3 .]" 1
1395 1 112 VAL MG1 1 113 THR HA 5.510 . 6.010 4.113 3.978 4.260 . 0 0 "[ . 1 . 2 . 3 .]" 1
1396 1 112 VAL MG1 1 114 GLU HA 5.610 . 6.110 4.290 3.896 4.681 . 0 0 "[ . 1 . 2 . 3 .]" 1
1397 1 112 VAL MG2 1 113 THR H 5.210 . 5.710 4.205 4.138 4.251 . 0 0 "[ . 1 . 2 . 3 .]" 1
1398 1 113 THR H 1 113 THR HB 3.970 . 4.470 3.675 3.646 3.699 . 0 0 "[ . 1 . 2 . 3 .]" 1
1399 1 113 THR H 1 113 THR MG 4.080 . 4.580 2.543 2.261 2.688 . 0 0 "[ . 1 . 2 . 3 .]" 1
1400 1 113 THR H 1 114 GLU H 5.150 . 5.650 4.605 4.580 4.625 . 0 0 "[ . 1 . 2 . 3 .]" 1
1401 1 113 THR HA 1 113 THR HB 2.980 . 3.480 2.463 2.389 2.488 . 0 0 "[ . 1 . 2 . 3 .]" 1
1402 1 113 THR HA 1 114 GLU H 2.680 . 3.180 2.311 2.225 2.372 . 0 0 "[ . 1 . 2 . 3 .]" 1
1403 1 113 THR HB 1 114 GLU H 3.000 . 3.500 2.742 2.476 3.012 . 0 0 "[ . 1 . 2 . 3 .]" 1
1404 1 113 THR MG 1 114 GLU H 5.000 . 5.500 3.830 3.696 3.959 . 0 0 "[ . 1 . 2 . 3 .]" 1
1405 1 114 GLU H 1 114 GLU QB 3.200 . 3.700 2.402 2.018 2.651 . 0 0 "[ . 1 . 2 . 3 .]" 1
1406 1 114 GLU H 1 114 GLU QG 4.120 . 4.620 2.721 2.145 3.773 . 0 0 "[ . 1 . 2 . 3 .]" 1
1407 1 114 GLU H 1 115 ARG H 4.660 . 5.160 4.663 4.625 4.686 . 0 0 "[ . 1 . 2 . 3 .]" 1
1408 1 114 GLU HA 1 115 ARG H 2.670 . 3.170 2.252 2.184 2.360 . 0 0 "[ . 1 . 2 . 3 .]" 1
1409 1 114 GLU QB 1 115 ARG H 3.650 . 4.150 2.771 2.460 3.314 . 0 0 "[ . 1 . 2 . 3 .]" 1
1410 1 114 GLU QG 1 115 ARG H 4.220 . 4.720 3.596 2.127 3.814 . 0 0 "[ . 1 . 2 . 3 .]" 1
1411 1 115 ARG H 1 115 ARG QB 3.510 . 4.010 2.263 2.100 2.368 . 0 0 "[ . 1 . 2 . 3 .]" 1
1412 1 115 ARG H 1 115 ARG QG 4.570 . 5.070 3.977 3.234 4.071 . 0 0 "[ . 1 . 2 . 3 .]" 1
1413 1 115 ARG H 1 116 ARG H 4.750 . 5.250 4.465 4.247 4.572 . 0 0 "[ . 1 . 2 . 3 .]" 1
1414 1 115 ARG H 1 116 ARG HA 5.250 . 5.750 5.320 5.277 5.387 . 0 0 "[ . 1 . 2 . 3 .]" 1
1415 1 115 ARG HA 1 115 ARG HD2 4.740 . 5.240 4.177 2.195 4.772 . 0 0 "[ . 1 . 2 . 3 .]" 1
1416 1 115 ARG HA 1 115 ARG QD 4.670 . 5.170 3.728 2.167 4.180 . 0 0 "[ . 1 . 2 . 3 .]" 1
1417 1 115 ARG HA 1 115 ARG HD3 4.740 . 5.240 4.341 2.796 4.747 . 0 0 "[ . 1 . 2 . 3 .]" 1
1418 1 115 ARG HA 1 116 ARG H 2.690 . 3.190 2.136 2.072 2.217 . 0 0 "[ . 1 . 2 . 3 .]" 1
1419 1 115 ARG QB 1 116 ARG H 4.740 . 5.240 3.833 3.625 3.990 . 0 0 "[ . 1 . 2 . 3 .]" 1
1420 1 115 ARG QG 1 116 ARG H 4.110 . 4.610 3.056 2.436 3.690 . 0 0 "[ . 1 . 2 . 3 .]" 1
1421 1 116 ARG H 1 116 ARG QB 3.490 . 3.990 2.449 2.201 3.096 . 0 0 "[ . 1 . 2 . 3 .]" 1
1422 1 116 ARG H 1 116 ARG QG 4.490 . 4.990 2.868 2.028 3.995 . 0 0 "[ . 1 . 2 . 3 .]" 1
1423 1 116 ARG HA 1 117 ALA H 2.760 . 3.260 2.316 2.210 2.451 . 0 0 "[ . 1 . 2 . 3 .]" 1
1424 1 116 ARG QB 1 117 ALA H 4.090 . 4.590 2.867 2.398 3.657 . 0 0 "[ . 1 . 2 . 3 .]" 1
1425 1 116 ARG HB2 1 117 ALA H 4.180 . 4.680 3.428 2.425 4.182 . 0 0 "[ . 1 . 2 . 3 .]" 1
1426 1 116 ARG HB3 1 117 ALA H 4.180 . 4.680 3.506 2.558 4.129 . 0 0 "[ . 1 . 2 . 3 .]" 1
1427 1 116 ARG QG 1 117 ALA H 4.770 . 5.270 3.368 2.170 4.251 . 0 0 "[ . 1 . 2 . 3 .]" 1
1428 1 117 ALA HA 1 118 GLU H 3.100 . 3.600 2.269 2.109 2.333 . 0 0 "[ . 1 . 2 . 3 .]" 1
1429 1 117 ALA MB 1 118 GLU H 4.830 . 5.330 2.686 2.575 3.495 . 0 0 "[ . 1 . 2 . 3 .]" 1
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